#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtg n GLU 21 N 0.00 0.00 -0.06 -0.67 0.28 -1.26 -4.60 120.64 114.33 3gtg n GLU 21 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 3gtg n GLU 21 Cb 0.00 -2.64 -0.04 0.00 1.43 0.00 0.00 31.44 30.20 3gtg n GLU 21 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 3gtg h SER 22 N 0.00 0.00 -2.36 -1.84 0.02 -1.97 -3.20 113.55 104.20 3gtg h SER 22 Ca 0.00 -0.29 -0.56 0.00 -0.84 0.00 0.00 61.79 60.10 3gtg h SER 22 Cb 0.00 0.00 0.21 0.00 0.14 0.00 0.00 62.40 62.75 3gtg h SER 22 CO 0.00 0.65 -1.31 0.00 -1.14 0.00 0.00 176.83 175.03 3gtg n ALA 23 N -2.74 -3.94 -1.91 3.77 0.00 -1.26 -4.60 120.51 109.82 3gtg n ALA 23 Ca -0.03 -0.45 -0.28 0.00 0.00 0.00 0.00 53.44 52.68 3gtg n ALA 23 Cb 0.14 -1.40 0.08 0.00 0.00 0.00 0.00 19.45 18.28 3gtg n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gtg s PRO 24 N -2.07 2.08 1.07 0.00 0.04 -1.26 -1.31 135.00 133.55 3gtg s PRO 24 Ca 0.50 -0.01 -0.17 0.00 0.04 0.00 0.00 61.00 61.35 3gtg s PRO 24 Cb -0.29 -2.03 0.07 0.00 0.04 0.00 0.00 34.50 32.29 3gtg s PRO 24 CO 0.73 -1.45 0.03 -0.89 0.04 0.00 0.00 177.00 175.46 3gtg n ILE 25 N -3.16 0.00 -2.40 0.56 5.41 -1.24 -4.36 119.36 114.17 3gtg n ILE 25 Ca 0.08 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.57 3gtg n ILE 25 Cb 0.61 -0.57 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 3gtg n ILE 25 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3gtg n THR 26 N -4.13 0.00 0.00 1.39 -2.24 -1.26 -4.70 114.28 103.33 3gtg n THR 26 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3gtg n THR 26 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3gtg n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gtg n ALA 27 N -3.00 -0.07 0.02 6.98 0.00 -1.26 -3.37 120.51 119.81 3gtg n ALA 27 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3gtg n ALA 27 Cb 0.00 0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 3gtg n ALA 27 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3gtg h GLU 28 N 0.00 -0.03 -0.82 0.00 4.39 -2.03 -3.25 114.58 112.84 3gtg h GLU 28 Ca 0.00 0.00 0.24 0.00 0.34 0.00 0.00 59.36 59.94 3gtg h GLU 28 Cb 0.00 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3gtg h GLU 28 CO 0.00 0.23 0.65 -0.44 -1.16 0.00 0.00 179.01 178.29 3gtg h ASP 29 N -0.28 0.00 -0.69 1.42 5.19 -1.96 0.41 116.42 120.51 3gtg h ASP 29 Ca -0.00 0.00 0.19 0.00 -0.62 0.00 0.00 57.03 56.60 3gtg h ASP 29 Cb 0.27 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.75 3gtg h ASP 29 CO 0.00 0.00 0.49 0.77 -3.12 0.00 0.00 179.24 177.38 3gtg h SER 30 N 0.00 0.07 -0.04 6.45 4.64 -1.59 -2.73 113.55 120.34 3gtg h SER 30 Ca 0.39 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.55 3gtg h SER 30 Cb 1.69 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 63.78 3gtg h SER 30 CO -0.00 0.03 -0.62 -0.50 -0.87 0.00 0.00 176.83 174.87 3gtg h TRP 31 N 0.07 0.71 -1.01 4.77 4.06 -0.40 -3.13 115.95 121.03 3gtg h TRP 31 Ca 0.33 -0.36 0.23 0.00 2.06 0.00 0.00 58.89 61.16 3gtg h TRP 31 Cb 1.22 -0.09 -0.10 0.00 -1.00 0.00 0.00 29.16 29.18 3gtg h TRP 31 CO -0.00 1.16 0.63 0.00 -3.56 0.00 0.00 178.44 176.67 3gtg h ALA 32 N 0.39 1.96 -0.65 1.49 0.00 -1.64 0.30 119.26 121.11 3gtg h ALA 32 Ca -0.07 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3gtg h ALA 32 Cb 1.30 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3gtg h ALA 32 CO 0.12 -0.36 0.25 0.28 0.00 0.00 0.00 179.25 179.55 3gtg h VAL 33 N 0.55 1.23 0.85 0.00 2.07 -1.63 -1.03 116.25 118.29 3gtg h VAL 33 Ca 0.59 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 3gtg h VAL 33 Cb 1.22 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3gtg h VAL 33 CO -0.35 0.29 -0.41 0.40 0.02 0.00 0.00 177.57 177.52 3gtg h ILE 34 N 0.94 0.00 -0.86 4.57 2.04 -0.43 -2.59 117.51 121.18 3gtg h ILE 34 Ca 0.22 -0.14 0.21 0.00 1.00 0.00 0.00 64.86 66.15 3gtg h ILE 34 Cb 0.19 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.15 3gtg h ILE 34 CO -0.02 0.00 0.30 0.77 0.00 0.00 0.00 178.15 179.20 3gtg h SER 35 N -1.28 0.17 -0.75 1.72 4.64 -1.05 1.04 113.55 118.04 3gtg h SER 35 Ca -0.12 0.16 0.16 0.00 -0.47 0.00 0.00 61.79 61.52 3gtg h SER 35 Cb 0.87 0.18 -0.10 0.00 -0.31 0.00 0.00 62.40 63.04 3gtg h SER 35 CO 0.19 -0.05 0.24 0.00 -0.87 0.00 0.00 176.83 176.34 3gtg h ALA 36 N 1.71 1.02 0.33 5.18 0.00 -1.10 0.22 119.26 126.61 3gtg h ALA 36 Ca 0.53 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.56 3gtg h ALA 36 Cb 0.99 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3gtg h ALA 36 CO -0.56 -0.29 -0.16 0.35 0.00 0.00 0.00 179.25 178.60 3gtg h PHE 37 N 0.35 -0.41 -0.01 0.00 3.04 0.15 -2.66 116.94 117.41 3gtg h PHE 37 Ca 0.42 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 62.26 3gtg h PHE 37 Cb 0.69 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 3gtg h PHE 37 CO -0.21 -0.24 -0.49 0.74 -2.02 0.00 0.00 178.31 176.09 3gtg h PHE 38 N -0.46 0.03 -0.91 0.41 -1.00 -0.96 -1.28 116.94 112.77 3gtg h PHE 38 Ca -0.05 -0.01 0.14 0.00 2.81 0.00 0.00 57.97 60.86 3gtg h PHE 38 Cb 0.35 -0.01 -0.09 0.00 3.61 0.00 0.00 35.95 39.82 3gtg h PHE 38 CO -0.05 0.51 0.52 0.00 -1.61 0.00 0.00 178.31 177.68 3gtg h ARG 39 N 0.02 0.74 0.00 1.51 2.47 -0.47 -1.01 114.38 117.65 3gtg h ARG 39 Ca -0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3gtg h ARG 39 Cb 0.87 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 3gtg h ARG 39 CO 0.06 0.49 0.00 0.39 0.56 0.00 0.00 179.97 181.48 3gtg n GLU 40 N -4.77 0.00 0.19 0.04 1.02 -0.59 -4.51 120.64 112.03 3gtg n GLU 40 Ca 0.18 0.24 0.14 0.00 -0.02 0.00 0.00 57.16 57.69 3gtg n GLU 40 Cb 0.41 -0.81 0.48 0.00 -0.02 0.00 0.00 31.44 31.50 3gtg n GLU 40 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3gtg h LYS 41 N 0.00 0.00 0.00 3.49 1.57 -1.39 -3.48 116.57 116.75 3gtg h LYS 41 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gtg h LYS 41 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3gtg h LYS 41 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 3gtg n GLY 42 N 0.46 3.42 0.00 3.86 0.00 -0.38 -3.61 105.19 108.94 3gtg n GLY 42 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3gtg n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtg n LEU 43 N 0.00 0.00 -0.95 0.99 4.77 -1.26 -4.68 117.00 115.88 3gtg n LEU 43 Ca 0.00 -0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 3gtg n LEU 43 Cb 0.00 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.35 3gtg n LEU 43 CO 0.00 0.00 0.71 1.33 -1.33 0.00 0.00 177.39 178.10 3gtg n VAL 44 N -0.01 2.20 -0.23 4.08 0.24 -1.26 -4.83 118.33 118.51 3gtg n VAL 44 Ca 0.00 -1.76 -0.05 0.00 -2.04 0.00 0.00 64.34 60.48 3gtg n VAL 44 Cb 0.00 -0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 32.14 3gtg n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3gtg n SER 45 N -0.32 -0.57 -0.35 -1.34 3.41 -1.24 0.87 113.62 114.08 3gtg n SER 45 Ca 0.21 1.00 -0.10 0.00 -0.26 0.00 0.00 58.87 59.73 3gtg n SER 45 Cb 0.87 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 64.61 3gtg n SER 45 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3gtg h GLN 46 N 0.00 -0.08 -0.67 4.33 -0.00 -1.90 1.12 115.11 117.90 3gtg h GLN 46 Ca 0.11 0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.79 3gtg h GLN 46 Cb 0.25 0.02 -0.04 0.00 -0.00 0.00 0.00 27.48 27.71 3gtg h GLN 46 CO -0.54 -0.05 0.44 1.96 -0.00 0.00 0.00 178.83 180.65 3gtg h GLN 47 N -0.08 0.81 0.15 0.06 1.08 0.10 -1.33 115.11 115.89 3gtg h GLN 47 Ca 0.18 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 3gtg h GLN 47 Cb 0.48 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3gtg h GLN 47 CO -0.87 0.54 -0.07 -0.07 -0.95 0.00 0.00 178.83 177.40 3gtg h LEU 48 N 0.83 -0.16 -0.63 1.46 3.38 -0.57 -3.26 115.31 116.36 3gtg h LEU 48 Ca 0.26 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.30 3gtg h LEU 48 Cb 0.02 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 3gtg h LEU 48 CO -0.07 -0.03 -0.37 0.47 0.09 0.00 0.00 178.44 178.53 3gtg n ASP 49 N -3.03 -0.66 -0.30 -0.43 10.43 0.38 0.13 116.55 123.06 3gtg n ASP 49 Ca -0.02 1.12 0.10 0.00 2.57 0.00 0.00 54.79 58.56 3gtg n ASP 49 Cb 0.08 -0.15 0.27 0.00 1.84 0.00 0.00 41.12 43.16 3gtg n ASP 49 CO 0.00 0.00 0.00 -1.28 -1.07 0.00 0.00 177.20 174.85 3gtg h SER 50 N 0.00 0.48 0.73 -2.24 0.87 -1.39 -2.06 113.55 109.95 3gtg h SER 50 Ca 0.10 0.12 -0.19 0.00 -1.23 0.00 0.00 61.79 60.58 3gtg h SER 50 Cb 0.26 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 3gtg h SER 50 CO -0.59 0.14 -0.89 0.15 -0.53 0.00 0.00 176.83 175.11 3gtg h PHE 51 N 0.56 0.16 -0.41 2.24 3.57 -0.35 -2.98 116.94 119.72 3gtg h PHE 51 Ca 0.51 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.94 3gtg h PHE 51 Cb 0.83 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 3gtg h PHE 51 CO -0.10 0.94 0.23 -0.91 -2.23 0.00 0.00 178.31 176.24 3gtg h ASN 52 N 0.05 0.36 0.45 0.41 2.35 -0.64 -2.37 115.58 116.18 3gtg h ASN 52 Ca -0.03 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3gtg h ASN 52 Cb 1.55 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.85 3gtg h ASN 52 CO 0.13 0.26 0.00 1.67 -1.65 0.00 0.00 177.43 177.84 3gtg n GLN 53 N -4.88 0.06 -0.06 0.81 -0.06 -0.96 -0.30 117.38 112.00 3gtg n GLN 53 Ca 0.02 0.36 -0.11 0.00 -2.00 0.00 0.00 57.00 55.27 3gtg n GLN 53 Cb 0.07 -1.63 -0.10 0.00 -4.06 0.00 0.00 30.24 24.52 3gtg n GLN 53 CO 0.00 0.00 0.00 0.35 -0.20 0.00 0.00 177.06 177.21 3gtg h PHE 54 N 0.00 -0.00 0.01 3.69 3.57 -1.27 -3.31 116.94 119.62 3gtg h PHE 54 Ca 0.00 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 3gtg h PHE 54 Cb 0.22 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.97 3gtg h PHE 54 CO 0.00 0.77 -0.48 0.28 -2.23 0.00 0.00 178.31 176.65 3gtg h VAL 55 N -0.99 1.48 -0.46 1.41 2.07 -1.38 -1.49 116.25 116.90 3gtg h VAL 55 Ca -0.00 -2.06 0.07 0.00 0.82 0.00 0.00 66.70 65.53 3gtg h VAL 55 Cb 0.78 2.69 -0.09 0.00 -1.52 0.00 0.00 31.29 33.15 3gtg h VAL 55 CO 0.00 0.59 -0.46 0.44 0.02 0.00 0.00 177.57 178.15 3gtg h ASP 56 N -0.27 -1.55 0.00 0.57 5.19 -0.87 -3.43 116.42 116.07 3gtg h ASP 56 Ca -0.06 0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 3gtg h ASP 56 Cb 1.22 0.67 0.00 0.00 0.18 0.00 0.00 39.33 41.40 3gtg h ASP 56 CO 0.09 -0.37 0.00 -1.22 -3.12 0.00 0.00 179.24 174.63 3gtg n TYR 57 N -5.40 0.00 0.00 4.55 4.02 -1.24 -4.86 117.16 114.22 3gtg n TYR 57 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3gtg n TYR 57 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 3gtg n TYR 57 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3gtg n THR 58 N 0.00 0.00 0.00 -0.72 -1.04 -1.25 -0.40 114.28 110.87 3gtg n THR 58 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3gtg n THR 58 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3gtg n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3gtg n LEU 59 N 0.00 0.00 0.06 -4.42 7.94 -0.56 0.40 117.00 120.43 3gtg n LEU 59 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 3gtg n LEU 59 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 3gtg n LEU 59 CO 0.00 0.00 0.76 -0.61 -1.11 0.00 0.00 177.39 176.43 3gtg h GLN 60 N 0.00 -0.26 0.62 1.96 5.75 -1.00 -0.13 115.11 122.04 3gtg h GLN 60 Ca 0.00 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 3gtg h GLN 60 Cb 0.00 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 3gtg h GLN 60 CO 0.00 -0.17 -0.43 -0.44 -2.65 0.00 0.00 178.83 175.13 3gtg h ASP 61 N -0.27 -1.11 -0.39 -0.69 3.32 0.76 -1.12 116.42 116.91 3gtg h ASP 61 Ca 0.05 0.07 0.11 0.00 0.02 0.00 0.00 57.03 57.28 3gtg h ASP 61 Cb 0.33 0.34 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 3gtg h ASP 61 CO -0.14 -0.64 0.40 0.40 -1.72 0.00 0.00 179.24 177.54 3gtg h ILE 62 N -1.00 0.42 0.00 0.35 1.08 -1.26 0.30 117.51 117.39 3gtg h ILE 62 Ca -0.07 0.00 -0.18 0.00 -0.39 0.00 0.00 64.86 64.21 3gtg h ILE 62 Cb 0.83 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 35.24 3gtg h ILE 62 CO 0.04 0.00 -0.87 -0.29 -0.69 0.00 0.00 178.15 176.34 3gtg h ILE 63 N 0.00 1.57 -2.60 -0.67 6.09 -0.14 -3.42 117.51 118.34 3gtg h ILE 63 Ca 0.19 -3.04 -0.60 0.00 -1.37 0.00 0.00 64.86 60.04 3gtg h ILE 63 Cb 0.99 2.66 -0.39 0.00 0.47 0.00 0.00 36.82 40.55 3gtg h ILE 63 CO -0.00 0.85 -0.86 0.00 -3.07 0.00 0.00 178.15 175.07 3gtg n GLU 65 N 3.00 0.00 -3.07 0.00 1.02 -1.22 -4.82 120.64 115.56 3gtg n GLU 65 Ca 0.22 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.92 3gtg n GLU 65 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 3gtg n GLU 65 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3gtg n ASP 66 N -0.83 5.33 -0.05 1.62 2.03 -1.26 -4.64 116.55 118.75 3gtg n ASP 66 Ca 0.00 -3.00 -0.08 0.00 0.52 0.00 0.00 54.79 52.23 3gtg n ASP 66 Cb 0.00 -1.51 -0.04 0.00 -0.72 0.00 0.00 41.12 38.85 3gtg n ASP 66 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3gtg n SER 67 N 4.62 2.40 -4.71 1.67 3.41 -1.26 -5.04 113.62 114.71 3gtg n SER 67 Ca 0.33 0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.52 3gtg n SER 67 Cb 0.41 -0.21 -0.00 0.00 -0.26 0.00 0.00 64.21 64.16 3gtg n SER 67 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3gtg n THR 68 N -3.02 2.13 -4.22 6.66 5.66 -1.26 -4.70 114.28 115.53 3gtg n THR 68 Ca -0.18 -0.50 -0.35 0.00 -3.05 0.00 0.00 64.05 59.96 3gtg n THR 68 Cb 0.67 -1.61 -0.09 0.00 -1.55 0.00 0.00 70.33 67.76 3gtg n THR 68 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3gtg s LEU 69 N -1.26 3.78 0.02 1.09 0.20 -1.26 -4.89 118.68 116.36 3gtg s LEU 69 Ca 0.56 0.20 -0.04 0.00 0.69 0.00 0.00 54.13 55.55 3gtg s LEU 69 Cb -0.55 -1.89 -0.01 0.00 -0.43 0.00 0.00 46.19 43.31 3gtg s LEU 69 CO 0.61 0.35 1.06 0.40 -0.29 0.00 0.00 176.35 178.49 3gtg h ILE 70 N 4.25 0.00 0.00 6.68 2.04 -1.95 -3.37 117.51 125.17 3gtg h ILE 70 Ca -0.49 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.37 3gtg h ILE 70 Cb 1.20 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3gtg h ILE 70 CO 0.58 0.00 -0.34 -0.11 0.00 0.00 0.00 178.15 178.28 3gtg n LEU 71 N -3.20 0.79 -3.62 1.44 7.94 -1.12 -4.57 117.00 114.66 3gtg n LEU 71 Ca 0.00 0.13 -0.06 0.00 -1.11 0.00 0.00 56.01 54.97 3gtg n LEU 71 Cb 0.03 -0.49 -0.05 0.00 0.53 0.00 0.00 43.42 43.44 3gtg n LEU 71 CO -0.01 -0.45 0.95 -0.70 -1.11 0.00 0.00 177.39 176.07 3gtg s GLU 72 N -1.77 0.33 -0.17 1.96 -6.30 -1.26 -5.10 118.70 106.39 3gtg s GLU 72 Ca -0.10 0.16 -0.10 0.00 -2.50 0.00 0.00 54.97 52.43 3gtg s GLU 72 Cb 0.01 0.16 -0.22 0.00 0.00 0.00 0.00 34.13 34.08 3gtg s GLU 72 CO 0.15 -0.08 0.21 1.04 0.02 0.00 0.00 175.26 176.59 3gtg n GLN 73 N 1.04 0.68 -2.17 4.30 3.00 -1.26 -4.38 117.38 118.59 3gtg n GLN 73 Ca -0.07 0.34 -0.08 0.00 -0.01 0.00 0.00 57.00 57.17 3gtg n GLN 73 Cb 0.58 -1.68 -0.02 0.00 0.00 0.00 0.00 30.24 29.12 3gtg n GLN 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 3gtg n LEU 74 N -3.78 -0.16 -4.85 1.08 -0.00 -1.26 -3.46 117.00 104.57 3gtg n LEU 74 Ca -0.35 -0.24 -0.34 0.00 -0.00 0.00 0.00 56.01 55.08 3gtg n LEU 74 Cb 0.93 -0.31 -0.06 0.00 -0.00 0.00 0.00 43.42 43.99 3gtg n LEU 74 CO 0.32 0.03 0.26 0.00 -0.00 0.00 0.00 177.39 177.99 3gtg s ALA 75 N -1.64 3.54 0.45 1.47 0.00 -1.26 -4.86 121.76 119.46 3gtg s ALA 75 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3gtg s ALA 75 Cb -0.08 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.50 3gtg s ALA 75 CO 0.20 0.45 0.00 1.04 0.00 0.00 0.00 175.76 177.45 3gtg n GLN 76 N 0.31 -2.42 0.00 0.00 6.02 -1.23 -5.03 117.38 115.04 3gtg n GLN 76 Ca -0.02 1.98 0.00 0.00 -0.01 0.00 0.00 57.00 58.95 3gtg n GLN 76 Cb 0.52 -2.98 0.00 0.00 1.02 0.00 0.00 30.24 28.80 3gtg n GLN 76 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3gtg n HIS 77 N -3.98 0.00 0.00 1.08 8.25 -1.24 -4.95 115.22 114.38 3gtg n HIS 77 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3gtg n HIS 77 Cb 0.50 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 31.02 3gtg n HIS 77 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 3gtg n THR 78 N 0.95 0.00 -0.89 1.59 5.66 -1.26 -4.65 114.28 115.68 3gtg n THR 78 Ca 0.00 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.11 3gtg n THR 78 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 3gtg n THR 78 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 3gtg n THR 79 N 0.00 0.00 -0.17 1.09 -1.04 -1.26 -5.09 114.28 107.80 3gtg n THR 79 Ca 0.00 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3gtg n THR 79 Cb 0.00 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 3gtg n THR 79 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3gtg n GLU 80 N -2.82 1.87 -2.17 -2.82 -0.00 -1.26 -4.92 120.64 108.52 3gtg n GLU 80 Ca -0.00 -0.17 -0.31 0.00 -0.00 0.00 0.00 57.16 56.68 3gtg n GLU 80 Cb 0.60 -0.60 -0.05 0.00 -0.00 0.00 0.00 31.44 31.40 3gtg n GLU 80 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 3gtg s SER 81 N -0.32 5.40 -0.44 -1.84 1.04 -1.26 -4.76 113.70 111.52 3gtg s SER 81 Ca 0.00 -1.60 -0.01 0.00 0.48 0.00 0.00 55.95 54.82 3gtg s SER 81 Cb 0.00 -2.58 0.31 0.00 0.10 0.00 0.00 66.02 63.85 3gtg s SER 81 CO 0.00 -2.66 2.01 -0.90 0.98 0.00 0.00 173.24 172.68 3gtg n ASP 82 N 13.14 6.80 -4.81 7.02 5.68 -1.26 -3.65 116.55 139.48 3gtg n ASP 82 Ca 0.44 -3.32 -0.36 0.00 -0.50 0.00 0.00 54.79 51.04 3gtg n ASP 82 Cb 0.47 -1.02 -0.07 0.00 -1.14 0.00 0.00 41.12 39.36 3gtg n ASP 82 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3gtg s ASN 83 N -0.56 6.38 1.04 -1.12 4.22 -1.26 -4.69 114.94 118.94 3gtg s ASN 83 Ca 0.43 0.45 -0.05 0.00 -2.14 0.00 0.00 52.86 51.55 3gtg s ASN 83 Cb 0.34 -2.11 0.07 0.00 1.28 0.00 0.00 41.25 40.83 3gtg s ASN 83 CO -0.00 0.29 0.31 2.30 -2.04 0.00 0.00 177.10 177.95 3gtg n ILE 84 N 2.66 0.00 -2.09 0.54 -6.64 -1.26 -3.50 119.36 109.07 3gtg n ILE 84 Ca -0.17 -0.17 -0.03 0.00 -1.77 0.00 0.00 62.75 60.61 3gtg n ILE 84 Cb 0.53 -1.37 -0.02 0.00 -1.44 0.00 0.00 39.64 37.34 3gtg n ILE 84 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 3gtg n SER 85 N -3.38 -1.65 -1.02 7.28 7.64 -1.26 -4.96 113.62 116.27 3gtg n SER 85 Ca 0.04 0.72 -0.03 0.00 1.01 0.00 0.00 58.87 60.61 3gtg n SER 85 Cb 0.15 -3.28 0.01 0.00 -1.01 0.00 0.00 64.21 60.08 3gtg n SER 85 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3gtg n ARG 86 N 0.83 -1.14 -2.87 1.43 0.63 -1.22 -4.96 116.66 109.35 3gtg n ARG 86 Ca -0.20 0.12 -0.43 0.00 -0.92 0.00 0.00 57.85 56.42 3gtg n ARG 86 Cb 0.31 -3.00 -0.04 0.00 0.45 0.00 0.00 32.46 30.18 3gtg n ARG 86 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3gtg s LYS 87 N -5.03 3.11 0.00 -0.14 0.00 -1.26 -4.90 119.74 111.52 3gtg s LYS 87 Ca 0.07 -0.86 0.13 0.00 0.00 0.00 0.00 55.97 55.31 3gtg s LYS 87 Cb -0.03 -4.23 0.04 0.00 0.00 0.00 0.00 37.83 33.61 3gtg s LYS 87 CO 0.11 -1.80 0.82 2.48 0.00 0.00 0.00 175.35 176.96 3gtg n TYR 88 N 7.63 0.00 -4.13 1.78 4.11 -1.26 -4.50 117.16 120.79 3gtg n TYR 88 Ca -0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.55 3gtg n TYR 88 Cb 0.45 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.72 3gtg n TYR 88 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.86 175.03 3gtg s GLU 89 N -1.43 2.76 0.03 -3.48 1.03 -1.26 -2.79 118.70 113.55 3gtg s GLU 89 Ca 0.13 -0.71 0.00 0.00 0.03 0.00 0.00 54.97 54.42 3gtg s GLU 89 Cb 0.11 -2.66 0.00 0.00 -0.80 0.00 0.00 34.13 30.78 3gtg s GLU 89 CO 0.27 0.58 0.00 1.51 -1.33 0.00 0.00 175.26 176.28 3gtg n ILE 90 N 0.75 0.00 -0.56 1.83 3.06 -1.26 -4.93 119.36 118.25 3gtg n ILE 90 Ca -0.11 0.00 0.08 0.00 -2.50 0.00 0.00 62.75 60.22 3gtg n ILE 90 Cb 0.52 -0.05 -0.02 0.00 0.54 0.00 0.00 39.64 40.63 3gtg n ILE 90 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 3gtg n SER 91 N -2.59 -3.31 -3.66 9.51 3.41 -1.26 -2.55 113.62 113.17 3gtg n SER 91 Ca 0.00 0.25 -0.10 0.00 -0.26 0.00 0.00 58.87 58.76 3gtg n SER 91 Cb 0.00 -1.70 -0.11 0.00 -0.26 0.00 0.00 64.21 62.14 3gtg n SER 91 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3gtg s PHE 92 N -1.65 -0.67 0.00 7.33 0.40 -1.26 -4.43 117.98 117.71 3gtg s PHE 92 Ca 0.00 1.32 0.00 0.00 -0.60 0.00 0.00 56.93 57.65 3gtg s PHE 92 Cb 0.00 0.18 0.00 0.00 0.51 0.00 0.00 43.02 43.71 3gtg s PHE 92 CO 0.00 -0.44 0.00 0.41 0.70 0.00 0.00 175.22 175.89 3gtg n GLY 93 N 5.38 0.77 3.78 4.36 0.00 -0.83 -4.74 105.19 113.92 3gtg n GLY 93 Ca -0.08 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 3gtg n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gtg s LYS 94 N 1.96 3.65 -0.24 1.61 2.20 -1.26 -4.67 119.74 122.99 3gtg s LYS 94 Ca 0.00 1.52 -0.04 0.00 -0.36 0.00 0.00 55.97 57.08 3gtg s LYS 94 Cb 0.00 -2.13 -0.00 0.00 -1.51 0.00 0.00 37.83 34.19 3gtg s LYS 94 CO 0.00 -0.58 -0.02 -1.50 -0.36 0.00 0.00 175.35 172.89 3gtg s ILE 95 N -1.83 3.49 0.02 5.43 2.07 -1.26 -3.11 121.20 126.01 3gtg s ILE 95 Ca 0.68 -0.54 -0.00 0.00 -1.41 0.00 0.00 60.65 59.38 3gtg s ILE 95 Cb -0.21 -2.64 -0.04 0.00 0.13 0.00 0.00 42.46 39.70 3gtg s ILE 95 CO 0.25 0.35 0.12 -0.31 -1.91 0.00 0.00 174.94 173.43 3gtg s TYR 96 N 1.48 3.35 -0.16 3.50 4.12 0.35 -4.99 117.35 125.00 3gtg s TYR 96 Ca 0.05 0.22 0.02 0.00 0.02 0.00 0.00 57.07 57.38 3gtg s TYR 96 Cb -0.15 -1.74 0.01 0.00 -1.52 0.00 0.00 41.96 38.57 3gtg s TYR 96 CO -0.02 0.57 -0.21 0.14 0.02 0.00 0.00 175.55 176.05 3gtg s VAL 97 N -1.29 2.09 0.85 0.71 -7.23 -1.26 -1.25 120.40 113.02 3gtg s VAL 97 Ca 0.26 -0.95 -0.10 0.00 -1.81 0.00 0.00 61.98 59.37 3gtg s VAL 97 Cb -0.12 -1.85 0.11 0.00 0.56 0.00 0.00 36.38 35.07 3gtg s VAL 97 CO 0.18 0.54 1.11 0.42 -0.31 0.00 0.00 175.10 177.05 3gtg s THR 98 N 0.99 2.70 0.01 5.32 -4.23 -0.53 -4.97 115.64 114.93 3gtg s THR 98 Ca -0.02 0.23 -0.26 0.00 -1.18 0.00 0.00 61.69 60.46 3gtg s THR 98 Cb -0.15 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 3gtg s THR 98 CO -0.06 -0.30 0.80 -0.54 -0.54 0.00 0.00 174.62 173.98 3gtg s LYS 99 N -4.78 4.50 0.12 3.99 -0.14 -1.26 -4.47 119.74 117.70 3gtg s LYS 99 Ca 0.64 1.09 -0.28 0.00 -1.36 0.00 0.00 55.97 56.06 3gtg s LYS 99 Cb -0.20 -3.41 -0.16 0.00 -1.68 0.00 0.00 37.83 32.39 3gtg s LYS 99 CO 0.57 0.15 0.60 -2.30 -0.76 0.00 0.00 175.35 173.61 3gtg n PRO 100 N 3.31 0.00 -4.01 -1.68 -0.02 -1.26 -4.88 135.00 126.47 3gtg n PRO 100 Ca -0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 3gtg n PRO 100 Cb 0.51 -1.01 -0.05 0.00 -0.02 0.00 0.00 33.50 32.92 3gtg n PRO 100 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3gtg s MET 101 N -0.62 1.57 -0.30 -0.52 -1.94 -1.23 -3.49 119.30 112.77 3gtg s MET 101 Ca 0.63 -1.31 -0.04 0.00 -1.71 0.00 0.00 55.69 53.26 3gtg s MET 101 Cb -0.91 0.46 0.17 0.00 2.01 0.00 0.00 34.83 36.57 3gtg s MET 101 CO 0.50 -0.65 0.64 0.54 -0.01 0.00 0.00 175.02 176.03 3gtg s VAL 102 N -3.92 -0.96 -0.48 -6.03 0.11 -1.00 -4.58 120.40 103.53 3gtg s VAL 102 Ca 0.24 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.00 3gtg s VAL 102 Cb -0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 3gtg s VAL 102 CO 0.10 0.00 1.45 0.21 -3.33 0.00 0.00 175.10 173.53 3gtg s ASN 103 N 2.87 6.19 -0.27 3.54 2.47 -1.26 -3.45 114.94 125.03 3gtg s ASN 103 Ca 0.13 0.60 -0.28 0.00 0.42 0.00 0.00 52.86 53.73 3gtg s ASN 103 Cb -0.14 -2.54 0.01 0.00 -1.45 0.00 0.00 41.25 37.13 3gtg s ASN 103 CO -0.20 -1.60 1.00 -0.70 -3.72 0.00 0.00 177.10 171.88 3gtg s GLU 104 N 5.29 4.16 0.17 0.43 2.12 -1.25 -4.98 118.70 124.64 3gtg s GLU 104 Ca 0.59 1.14 -0.23 0.00 0.36 0.00 0.00 54.97 56.82 3gtg s GLU 104 Cb -0.13 -3.68 -0.14 0.00 0.26 0.00 0.00 34.13 30.44 3gtg s GLU 104 CO 0.29 -0.70 0.42 -1.13 -0.54 0.00 0.00 175.26 173.60 3gtg n SER 105 N 6.43 -1.10 0.00 -1.70 3.41 -1.14 -0.97 113.62 118.56 3gtg n SER 105 Ca 0.10 0.93 0.00 0.00 -0.26 0.00 0.00 58.87 59.65 3gtg n SER 105 Cb 0.47 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 3gtg n SER 105 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gtg n ASP 106 N 1.68 -0.48 -2.17 4.04 -0.08 -1.26 -4.92 116.55 113.36 3gtg n ASP 106 Ca 0.15 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.33 3gtg n ASP 106 Cb 0.21 -1.20 -0.03 0.00 2.34 0.00 0.00 41.12 42.44 3gtg n ASP 106 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gtg n GLY 107 N -1.91 3.62 3.85 0.27 0.00 -0.14 -5.17 105.19 105.72 3gtg n GLY 107 Ca 0.00 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 3gtg n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtg s VAL 108 N -2.43 4.28 0.29 1.61 1.01 -1.26 -4.63 120.40 119.27 3gtg s VAL 108 Ca 0.14 0.74 -0.29 0.00 0.00 0.00 0.00 61.98 62.57 3gtg s VAL 108 Cb 0.01 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 3gtg s VAL 108 CO 0.10 -0.97 1.17 0.28 0.00 0.00 0.00 175.10 175.68 3gtg s THR 109 N -3.16 3.22 -0.05 3.92 -1.32 -1.26 -3.86 115.64 113.12 3gtg s THR 109 Ca 0.57 1.22 0.02 0.00 -1.21 0.00 0.00 61.69 62.28 3gtg s THR 109 Cb -0.12 -3.78 0.02 0.00 -1.51 0.00 0.00 72.50 67.11 3gtg s THR 109 CO 0.54 0.29 -0.08 -2.28 -2.21 0.00 0.00 174.62 170.88 3gtg s HIS 110 N -1.11 1.07 -0.88 9.09 5.04 -1.22 -4.99 115.29 122.28 3gtg s HIS 110 Ca 0.46 -0.35 -0.25 0.00 -1.54 0.00 0.00 55.06 53.38 3gtg s HIS 110 Cb -0.35 -0.84 0.03 0.00 0.04 0.00 0.00 32.58 31.46 3gtg s HIS 110 CO 0.45 -0.22 1.47 0.00 -2.34 0.00 0.00 174.74 174.10 3gtg s ALA 111 N 0.76 2.57 -0.13 1.58 0.00 -1.26 -2.37 121.76 122.91 3gtg s ALA 111 Ca -0.13 -1.74 -0.27 0.00 0.00 0.00 0.00 51.96 49.82 3gtg s ALA 111 Cb -0.15 -4.42 -0.02 0.00 0.00 0.00 0.00 23.12 18.54 3gtg s ALA 111 CO 0.02 -3.65 0.89 -1.17 0.00 0.00 0.00 175.76 171.85 3gtg s LEU 112 N 6.09 4.23 0.54 0.00 2.96 -1.23 -5.02 118.68 126.25 3gtg s LEU 112 Ca 0.46 1.33 0.05 0.00 -0.22 0.00 0.00 54.13 55.76 3gtg s LEU 112 Cb -0.05 -3.35 0.05 0.00 0.50 0.00 0.00 46.19 43.34 3gtg s LEU 112 CO 0.02 -0.38 0.75 -0.31 -1.32 0.00 0.00 176.35 175.11 3gtg s TYR 113 N 1.91 2.27 0.22 5.38 1.51 -1.26 -4.67 117.35 122.70 3gtg s TYR 113 Ca 0.43 -0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 56.04 3gtg s TYR 113 Cb -0.17 -2.53 0.16 0.00 -0.11 0.00 0.00 41.96 39.31 3gtg s TYR 113 CO 0.16 -0.93 1.80 -1.35 -1.11 0.00 0.00 175.55 174.12 3gtg h PRO 114 N 0.19 1.19 0.00 -1.71 0.11 -1.97 -3.04 132.00 126.77 3gtg h PRO 114 Ca -0.37 -0.19 -0.02 0.00 0.11 0.00 0.00 66.00 65.52 3gtg h PRO 114 Cb 1.28 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3gtg h PRO 114 CO 0.45 0.94 -0.08 0.37 -0.21 0.00 0.00 178.00 179.46 3gtg h GLN 115 N 1.16 0.00 0.18 1.05 5.75 -1.96 -2.40 115.11 118.90 3gtg h GLN 115 Ca 0.27 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.46 3gtg h GLN 115 Cb 0.17 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.73 3gtg h GLN 115 CO -0.03 0.08 -1.50 1.49 -2.65 0.00 0.00 178.83 176.23 3gtg h GLU 116 N 0.00 0.38 0.26 1.69 4.81 -1.90 -3.34 114.58 116.48 3gtg h GLU 116 Ca -0.00 -0.65 -0.00 0.00 -0.13 0.00 0.00 59.36 58.58 3gtg h GLU 116 Cb 0.32 0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 3gtg h GLU 116 CO 0.01 1.28 -0.42 0.00 -0.73 0.00 0.00 179.01 179.15 3gtg h ALA 117 N 0.33 -1.00 -0.72 2.92 0.00 -1.40 -1.61 119.26 117.78 3gtg h ALA 117 Ca -0.24 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 54.70 3gtg h ALA 117 Cb 2.07 0.73 -0.12 0.00 0.00 0.00 0.00 17.79 20.48 3gtg h ALA 117 CO 0.21 -1.07 0.08 0.00 0.00 0.00 0.00 179.25 178.48 3gtg h ARG 118 N -0.72 0.17 0.00 0.00 3.08 -1.72 0.21 114.38 115.40 3gtg h ARG 118 Ca -0.03 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 3gtg h ARG 118 Cb 0.66 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 3gtg h ARG 118 CO -0.14 0.11 -0.59 -0.07 -1.07 0.00 0.00 179.97 178.21 3gtg h LEU 119 N 0.18 0.00 -3.22 3.04 3.38 -1.57 -3.14 115.31 113.97 3gtg h LEU 119 Ca 0.40 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.30 3gtg h LEU 119 Cb 0.69 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3gtg h LEU 119 CO -0.57 0.58 -0.08 -2.11 0.09 0.00 0.00 178.44 176.35 3gtg n ARG 120 N -3.24 2.07 -3.46 1.13 1.85 -0.65 -4.99 116.66 109.38 3gtg n ARG 120 Ca 0.02 -2.98 -0.18 0.00 -1.00 0.00 0.00 57.85 53.71 3gtg n ARG 120 Cb 0.77 -1.75 0.07 0.00 -1.05 0.00 0.00 32.46 30.50 3gtg n ARG 120 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3gtg n ASN 121 N -0.98 -2.87 -4.78 2.89 5.03 -0.67 -4.75 115.26 109.13 3gtg n ASN 121 Ca 0.25 -0.70 -0.23 0.00 0.87 0.00 0.00 54.58 54.77 3gtg n ASN 121 Cb 0.89 -4.85 -0.06 0.00 -1.02 0.00 0.00 39.78 34.74 3gtg n ASN 121 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gtg s LEU 122 N -6.24 3.24 -0.22 3.41 1.43 0.64 -4.22 118.68 116.71 3gtg s LEU 122 Ca 0.11 -0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 52.29 3gtg s LEU 122 Cb -0.02 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.50 3gtg s LEU 122 CO 0.75 -0.50 -0.07 -0.89 0.23 0.00 0.00 176.35 175.88 3gtg s THR 123 N -2.51 3.03 -0.88 5.49 2.01 -1.26 -1.45 115.64 120.07 3gtg s THR 123 Ca 0.42 -0.73 -0.22 0.00 0.31 0.00 0.00 61.69 61.47 3gtg s THR 123 Cb -0.00 -2.42 0.08 0.00 0.01 0.00 0.00 72.50 70.17 3gtg s THR 123 CO 0.24 0.36 1.23 -0.47 -0.69 0.00 0.00 174.62 175.29 3gtg s TYR 124 N 1.40 2.71 -0.15 4.92 5.04 -0.85 -4.94 117.35 125.49 3gtg s TYR 124 Ca 0.04 -0.84 -0.04 0.00 -2.44 0.00 0.00 57.07 53.78 3gtg s TYR 124 Cb -0.15 -4.48 0.06 0.00 0.35 0.00 0.00 41.96 37.74 3gtg s TYR 124 CO -0.05 -1.76 0.10 -1.54 -1.34 0.00 0.00 175.55 170.96 3gtg s SER 125 N 4.12 1.94 0.75 4.32 1.04 -1.26 -1.37 113.70 123.24 3gtg s SER 125 Ca 0.36 -0.40 -0.12 0.00 0.48 0.00 0.00 55.95 56.27 3gtg s SER 125 Cb -0.06 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 65.98 3gtg s SER 125 CO -0.02 -0.32 1.11 -0.44 0.98 0.00 0.00 173.24 174.54 3gtg s SER 126 N 2.17 4.51 0.08 7.02 0.01 0.09 -3.54 113.70 124.04 3gtg s SER 126 Ca 0.03 1.92 -0.09 0.00 1.31 0.00 0.00 55.95 59.12 3gtg s SER 126 Cb -0.15 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.49 3gtg s SER 126 CO -0.08 -2.03 0.39 -0.83 0.41 0.00 0.00 173.24 171.09 3gtg s GLY 127 N -3.07 2.32 0.01 3.44 0.00 -1.26 -0.68 107.32 108.08 3gtg s GLY 127 Ca 0.64 -0.41 -0.08 0.00 0.00 0.00 0.00 44.72 44.87 3gtg s GLY 127 CO 0.52 -0.21 0.29 1.08 0.00 0.00 0.00 173.10 174.78 3gtg s LEU 128 N -1.97 4.38 -0.12 0.66 2.01 -0.72 -1.45 118.68 121.47 3gtg s LEU 128 Ca 0.33 0.62 -0.04 0.00 0.01 0.00 0.00 54.13 55.05 3gtg s LEU 128 Cb -0.14 -2.67 0.06 0.00 0.01 0.00 0.00 46.19 43.45 3gtg s LEU 128 CO 0.18 0.26 0.21 -0.36 1.01 0.00 0.00 176.35 177.65 3gtg s PHE 129 N -1.28 -0.30 0.09 0.29 0.40 -0.38 -2.08 117.98 114.72 3gtg s PHE 129 Ca 0.27 0.72 0.04 0.00 -0.60 0.00 0.00 56.93 57.36 3gtg s PHE 129 Cb -0.13 -0.18 -0.03 0.00 0.51 0.00 0.00 43.02 43.18 3gtg s PHE 129 CO 0.15 -0.35 -0.11 0.08 0.70 0.00 0.00 175.22 175.69 3gtg s VAL 130 N 2.35 0.96 -0.58 -0.44 1.01 -1.13 -0.50 120.40 122.08 3gtg s VAL 130 Ca 0.03 -1.57 -0.19 0.00 0.00 0.00 0.00 61.98 60.25 3gtg s VAL 130 Cb -0.13 -1.29 0.09 0.00 0.00 0.00 0.00 36.38 35.06 3gtg s VAL 130 CO -0.08 -0.50 0.70 -1.81 0.00 0.00 0.00 175.10 173.41 3gtg s ASP 131 N -2.31 6.19 0.65 3.32 -0.00 -1.18 -3.87 116.67 119.47 3gtg s ASP 131 Ca 0.04 -1.33 -0.15 0.00 -0.00 0.00 0.00 52.55 51.10 3gtg s ASP 131 Cb -0.04 -2.30 -0.00 0.00 -0.00 0.00 0.00 42.92 40.57 3gtg s ASP 131 CO 0.01 -1.09 1.11 -0.69 -0.00 0.00 0.00 175.17 174.51 3gtg s VAL 132 N 2.71 3.26 0.28 -1.27 1.01 -1.26 -1.96 120.40 123.18 3gtg s VAL 132 Ca 0.12 0.59 0.10 0.00 0.00 0.00 0.00 61.98 62.79 3gtg s VAL 132 Cb -0.23 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 3gtg s VAL 132 CO 0.07 -0.36 -0.01 -0.54 0.00 0.00 0.00 175.10 174.26 3gtg s LYS 133 N -4.07 2.23 0.00 2.72 -0.14 -1.06 -4.97 119.74 114.46 3gtg s LYS 133 Ca 0.67 -1.48 0.00 0.00 -1.36 0.00 0.00 55.97 53.80 3gtg s LYS 133 Cb -0.20 -2.11 0.00 0.00 -1.68 0.00 0.00 37.83 33.84 3gtg s LYS 133 CO 0.41 0.33 0.00 1.17 -0.76 0.00 0.00 175.35 176.49 3gtg n LYS 134 N -0.89 -0.34 -1.59 1.68 4.81 -1.26 -4.78 118.16 115.78 3gtg n LYS 134 Ca -0.06 0.09 -0.48 0.00 -0.87 0.00 0.00 58.31 56.99 3gtg n LYS 134 Cb 0.59 -3.33 -0.04 0.00 0.02 0.00 0.00 35.03 32.28 3gtg n LYS 134 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3gtg n LYS 164 N -2.18 1.26 -3.98 1.64 0.00 -1.26 -5.14 118.16 108.50 3gtg n LYS 164 Ca 0.00 0.45 -0.21 0.00 -0.00 0.00 0.00 58.31 58.55 3gtg n LYS 164 Cb 0.09 -1.95 -0.17 0.00 -0.00 0.00 0.00 35.03 33.00 3gtg n LYS 164 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3gtg s VAL 165 N -0.26 0.45 -0.33 0.58 1.01 -1.25 -5.06 120.40 115.54 3gtg s VAL 165 Ca 0.71 -0.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.45 3gtg s VAL 165 Cb -0.82 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.03 3gtg s VAL 165 CO 0.53 0.23 0.78 0.12 0.00 0.00 0.00 175.10 176.76 3gtg s PHE 166 N 1.35 3.17 -0.81 5.22 5.36 -1.26 -2.84 117.98 128.17 3gtg s PHE 166 Ca -0.04 0.71 0.02 0.00 -0.96 0.00 0.00 56.93 56.66 3gtg s PHE 166 Cb -0.13 -3.29 0.30 0.00 -0.34 0.00 0.00 43.02 39.56 3gtg s PHE 166 CO -0.02 -0.63 1.20 -0.89 -1.46 0.00 0.00 175.22 173.42 3gtg n ILE 167 N 5.63 4.05 -4.63 3.12 2.08 -0.88 -4.67 119.36 124.05 3gtg n ILE 167 Ca 0.03 -5.65 0.00 0.00 0.56 0.00 0.00 62.75 57.69 3gtg n ILE 167 Cb 0.48 -1.78 0.00 0.00 -0.75 0.00 0.00 39.64 37.59 3gtg n ILE 167 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gtg n GLY 168 N 0.45 -0.65 2.91 7.39 0.00 -1.22 -4.33 105.19 109.74 3gtg n GLY 168 Ca 0.33 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 3gtg n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gtg s ARG 169 N 0.00 1.26 -0.24 1.61 0.52 -1.26 -1.75 118.95 119.08 3gtg s ARG 169 Ca 0.00 -0.20 -0.20 0.00 -0.52 0.00 0.00 55.73 54.80 3gtg s ARG 169 Cb 0.00 -1.26 -0.02 0.00 0.52 0.00 0.00 34.95 34.19 3gtg s ARG 169 CO 0.00 -0.15 0.63 -1.17 0.02 0.00 0.00 175.30 174.64 3gtg s LEU 170 N 1.27 4.08 0.37 2.53 2.96 0.14 -4.52 118.68 125.51 3gtg s LEU 170 Ca -0.04 0.74 -0.26 0.00 -0.22 0.00 0.00 54.13 54.34 3gtg s LEU 170 Cb -0.14 -2.87 -0.12 0.00 0.50 0.00 0.00 46.19 43.57 3gtg s LEU 170 CO -0.02 -0.35 1.12 -2.65 -1.32 0.00 0.00 176.35 173.12 3gtg n PRO 171 N 5.58 1.63 -4.65 0.98 -0.02 -1.26 -0.73 135.00 136.52 3gtg n PRO 171 Ca -0.01 0.58 -0.31 0.00 -2.02 0.00 0.00 63.50 61.74 3gtg n PRO 171 Cb 0.49 -2.12 -0.17 0.00 -0.02 0.00 0.00 33.50 31.68 3gtg n PRO 171 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gtg s ILE 172 N -1.18 1.91 0.37 4.25 -1.09 -0.47 -4.85 121.20 120.15 3gtg s ILE 172 Ca 0.60 -0.89 -0.28 0.00 -2.23 0.00 0.00 60.65 57.84 3gtg s ILE 172 Cb -0.58 -1.70 -0.11 0.00 -1.58 0.00 0.00 42.46 38.49 3gtg s ILE 172 CO 0.59 0.52 1.45 -0.32 -1.23 0.00 0.00 174.94 175.95 3gtg s MET 173 N 0.83 4.15 0.44 2.79 -2.45 -1.26 -4.57 119.30 119.23 3gtg s MET 173 Ca -0.08 2.50 -0.22 0.00 -1.25 0.00 0.00 55.69 56.65 3gtg s MET 173 Cb -0.15 -2.98 -0.09 0.00 1.25 0.00 0.00 34.83 32.86 3gtg s MET 173 CO -0.01 -0.47 1.04 -0.51 1.05 0.00 0.00 175.02 176.11 3gtg s LEU 174 N -2.05 4.00 0.00 4.11 1.02 -1.09 -3.07 118.68 121.60 3gtg s LEU 174 Ca 0.52 1.97 0.00 0.00 0.02 0.00 0.00 54.13 56.65 3gtg s LEU 174 Cb -0.45 -4.37 0.00 0.00 0.02 0.00 0.00 46.19 41.39 3gtg s LEU 174 CO 0.61 -0.62 0.00 -1.14 0.02 0.00 0.00 176.35 175.22 3gtg n ARG 175 N -0.51 -1.35 -1.28 1.70 0.63 -1.26 -2.79 116.66 111.81 3gtg n ARG 175 Ca 0.07 0.34 -0.30 0.00 -0.92 0.00 0.00 57.85 57.04 3gtg n ARG 175 Cb 0.51 -4.52 0.21 0.00 0.45 0.00 0.00 32.46 29.11 3gtg n ARG 175 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3gtg s SER 176 N -2.03 1.87 0.31 6.15 1.04 -1.17 -4.74 113.70 115.12 3gtg s SER 176 Ca 0.00 0.72 0.02 0.00 0.48 0.00 0.00 55.95 57.16 3gtg s SER 176 Cb 0.00 -1.05 0.50 0.00 0.10 0.00 0.00 66.02 65.58 3gtg s SER 176 CO 0.00 -3.54 1.84 0.11 0.98 0.00 0.00 173.24 172.62 3gtg h LYS 177 N -2.18 0.64 -0.04 4.02 1.57 -1.95 -3.04 116.57 115.59 3gtg h LYS 177 Ca -0.47 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 3gtg h LYS 177 Cb 1.30 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3gtg h LYS 177 CO 0.43 0.64 0.00 0.09 -0.57 0.00 0.00 179.45 180.04 3gtg n ASN 178 N -4.26 0.36 -4.53 0.86 4.13 -1.26 -4.77 115.26 105.78 3gtg n ASN 178 Ca 0.02 -1.48 -0.34 0.00 1.68 0.00 0.00 54.58 54.46 3gtg n ASN 178 Cb 0.25 -0.02 -0.11 0.00 -1.54 0.00 0.00 39.78 38.36 3gtg n ASN 178 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gtg h TYR 180 N 6.83 0.73 0.00 0.00 -1.99 -1.87 0.33 116.97 120.99 3gtg h TYR 180 Ca -0.33 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.44 3gtg h TYR 180 Cb 1.18 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.76 3gtg h TYR 180 CO 0.55 -0.32 0.00 -0.07 -0.00 0.00 0.00 178.16 178.32 3gtg h LEU 181 N 0.16 0.00 -2.02 3.88 3.38 -1.95 -2.79 115.31 115.97 3gtg h LEU 181 Ca 0.74 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.79 3gtg h LEU 181 Cb 1.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 3gtg h LEU 181 CO -0.71 0.00 0.21 0.77 0.09 0.00 0.00 178.44 178.80 3gtg h SER 182 N 0.00 0.00 -0.31 -0.43 4.64 -0.50 -2.90 113.55 114.04 3gtg h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gtg h SER 182 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3gtg h SER 182 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3gtg n GLU 183 N -4.39 2.72 -3.05 4.77 1.02 -1.05 -5.03 120.64 115.62 3gtg n GLU 183 Ca 0.04 -1.97 -0.35 0.00 -0.02 0.00 0.00 57.16 54.86 3gtg n GLU 183 Cb 0.36 -1.26 -0.06 0.00 -0.02 0.00 0.00 31.44 30.47 3gtg n GLU 183 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gtg s ALA 184 N -0.99 3.33 0.88 0.62 0.00 -1.10 -5.10 121.76 119.39 3gtg s ALA 184 Ca 0.22 0.18 -0.09 0.00 0.00 0.00 0.00 51.96 52.27 3gtg s ALA 184 Cb 0.11 -2.87 0.17 0.00 0.00 0.00 0.00 23.12 20.54 3gtg s ALA 184 CO 0.15 0.29 1.08 0.25 0.00 0.00 0.00 175.76 177.53 3gtg n THR 185 N 0.23 0.00 0.03 0.00 -2.24 -1.26 -4.99 114.28 106.05 3gtg n THR 185 Ca 0.01 -1.11 -0.01 0.00 -2.27 0.00 0.00 64.05 60.67 3gtg n THR 185 Cb 0.52 -1.30 -0.01 0.00 -2.10 0.00 0.00 70.33 67.44 3gtg n THR 185 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3gtg h GLU 186 N 0.00 -0.09 -0.82 -0.78 4.81 -2.01 -3.20 114.58 112.49 3gtg h GLU 186 Ca -0.35 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.04 3gtg h GLU 186 Cb 1.09 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.33 3gtg h GLU 186 CO 0.29 -0.06 -0.23 0.66 -0.73 0.00 0.00 179.01 178.94 3gtg h SER 187 N -0.12 -0.85 -0.75 1.04 4.64 -2.00 0.66 113.55 116.15 3gtg h SER 187 Ca -0.01 0.25 0.20 0.00 -0.47 0.00 0.00 61.79 61.76 3gtg h SER 187 Cb 0.07 0.54 -0.14 0.00 -0.31 0.00 0.00 62.40 62.56 3gtg h SER 187 CO 0.02 -0.28 -0.02 0.47 -0.87 0.00 0.00 176.83 176.15 3gtg n ASP 188 N -5.53 -0.12 0.11 4.97 10.43 -1.24 -0.64 116.55 124.54 3gtg n ASP 188 Ca 0.11 1.28 -0.13 0.00 2.57 0.00 0.00 54.79 58.62 3gtg n ASP 188 Cb 0.41 -0.45 -0.08 0.00 1.84 0.00 0.00 41.12 42.84 3gtg n ASP 188 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3gtg h LEU 189 N 0.00 -0.23 -0.90 0.64 3.38 0.34 -2.91 115.31 115.63 3gtg h LEU 189 Ca 0.44 -0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.37 3gtg h LEU 189 Cb 0.87 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.60 3gtg h LEU 189 CO -0.72 0.04 0.52 1.88 0.09 0.00 0.00 178.44 180.25 3gtg h TYR 190 N -0.50 0.94 -0.75 1.13 -1.99 -0.86 0.25 116.97 115.19 3gtg h TYR 190 Ca -0.03 0.03 0.11 0.00 2.00 0.00 0.00 58.73 60.84 3gtg h TYR 190 Cb 0.38 -0.28 -0.08 0.00 2.00 0.00 0.00 36.73 38.74 3gtg h TYR 190 CO 0.00 0.33 0.37 0.87 -0.00 0.00 0.00 178.16 179.73 3gtg h LYS 191 N 0.81 0.58 0.00 4.88 1.57 -1.24 0.54 116.57 123.71 3gtg h LYS 191 Ca 0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 3gtg h LYS 191 Cb 0.53 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3gtg h LYS 191 CO -0.30 0.38 0.00 1.28 -0.57 0.00 0.00 179.45 180.25 3gtg n LEU 192 N -4.87 0.62 0.00 2.94 4.77 0.71 -4.88 117.00 116.29 3gtg n LEU 192 Ca 0.13 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 3gtg n LEU 192 Cb 0.32 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3gtg n LEU 192 CO 0.23 -0.47 0.00 0.29 -1.33 0.00 0.00 177.39 176.11 3gtg n LYS 193 N -2.17 0.00 -3.78 3.23 5.02 0.19 -4.66 118.16 115.99 3gtg n LYS 193 Ca 0.03 0.33 -0.35 0.00 -2.02 0.00 0.00 58.31 56.30 3gtg n LYS 193 Cb 0.26 -3.30 -0.08 0.00 -0.02 0.00 0.00 35.03 31.88 3gtg n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gtg s GLU 194 N -2.13 4.15 0.22 1.97 0.41 -0.90 -4.85 118.70 117.57 3gtg s GLU 194 Ca 0.00 -0.24 -0.30 0.00 -0.41 0.00 0.00 54.97 54.02 3gtg s GLU 194 Cb 0.00 -3.38 -0.09 0.00 -1.78 0.00 0.00 34.13 28.88 3gtg s GLU 194 CO 0.00 0.29 1.34 0.00 -0.49 0.00 0.00 175.26 176.40 3gtg n PRO 196 N 2.44 0.88 -0.10 0.00 -0.05 -1.26 -1.54 135.00 135.36 3gtg n PRO 196 Ca 0.06 0.00 -0.12 0.00 -0.05 0.00 0.00 63.50 63.39 3gtg n PRO 196 Cb 0.42 -1.22 -0.13 0.00 -0.05 0.00 0.00 33.50 32.52 3gtg n PRO 196 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 3gtg n PHE 197 N -0.72 0.00 -1.60 0.54 3.01 -1.26 -4.99 117.46 112.44 3gtg n PHE 197 Ca 0.09 0.00 -0.54 0.00 1.01 0.00 0.00 57.45 58.02 3gtg n PHE 197 Cb 0.04 -0.89 -0.06 0.00 -0.01 0.00 0.00 39.48 38.56 3gtg n PHE 197 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3gtg n ASP 198 N -2.89 1.57 -0.06 4.37 2.03 -0.59 -4.86 116.55 116.13 3gtg n ASP 198 Ca -0.34 1.12 0.01 0.00 0.52 0.00 0.00 54.79 56.09 3gtg n ASP 198 Cb 1.03 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 3gtg n ASP 198 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3gtg n MET 199 N 2.78 1.17 0.00 -0.67 0.00 -1.26 -4.92 117.12 114.23 3gtg n MET 199 Ca 0.20 -0.45 0.00 0.00 0.00 0.00 0.00 57.70 57.44 3gtg n MET 199 Cb 0.17 -0.92 0.00 0.00 0.00 0.00 0.00 33.22 32.47 3gtg n MET 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3gtg n GLY 200 N 0.36 0.21 2.23 3.17 0.00 -1.26 -4.81 105.19 105.08 3gtg n GLY 200 Ca 0.01 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3gtg n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtg n GLY 201 N 0.00 1.85 0.00 -0.02 0.00 -1.12 -4.95 105.19 100.94 3gtg n GLY 201 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gtg n GLY 201 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3gtg n TYR 202 N -2.00 0.00 -4.14 1.61 0.18 -1.26 -4.71 117.16 106.84 3gtg n TYR 202 Ca 0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 3gtg n TYR 202 Cb 0.00 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 38.87 3gtg n TYR 202 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 3gtg s PHE 203 N 2.08 0.89 -0.11 -3.48 0.40 -0.86 -2.66 117.98 114.23 3gtg s PHE 203 Ca 0.00 -1.21 0.02 0.00 -0.60 0.00 0.00 56.93 55.14 3gtg s PHE 203 Cb 0.00 -0.44 0.01 0.00 0.51 0.00 0.00 43.02 43.11 3gtg s PHE 203 CO 0.00 -0.60 -0.18 0.42 0.70 0.00 0.00 175.22 175.56 3gtg s ILE 204 N -4.07 1.73 -0.13 0.64 1.09 -1.26 -2.97 121.20 116.22 3gtg s ILE 204 Ca 0.28 -0.79 -0.03 0.00 -1.10 0.00 0.00 60.65 59.01 3gtg s ILE 204 Cb 0.07 -1.55 0.05 0.00 -1.06 0.00 0.00 42.46 39.97 3gtg s ILE 204 CO 0.05 0.49 0.05 -0.63 -0.10 0.00 0.00 174.94 174.80 3gtg s ILE 205 N 0.83 0.18 -1.37 2.92 -1.09 -0.85 -2.00 121.20 119.82 3gtg s ILE 205 Ca -0.09 -0.12 -0.11 0.00 -2.23 0.00 0.00 60.65 58.11 3gtg s ILE 205 Cb -0.16 -0.63 0.01 0.00 -1.58 0.00 0.00 42.46 40.11 3gtg s ILE 205 CO 0.00 -0.07 0.40 0.59 -1.23 0.00 0.00 174.94 174.63 3gtg n ASN 206 N 5.19 -1.48 0.00 3.58 3.02 -0.53 -1.18 115.26 123.86 3gtg n ASN 206 Ca -0.07 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 3gtg n ASN 206 Cb 0.49 -2.36 0.00 0.00 -0.61 0.00 0.00 39.78 37.30 3gtg n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gtg n GLY 207 N -2.15 2.02 3.80 7.41 0.00 -1.04 -4.60 105.19 110.64 3gtg n GLY 207 Ca -0.24 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 3gtg n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gtg s SER 208 N 0.00 7.14 -0.64 1.61 1.04 -0.33 -4.25 113.70 118.28 3gtg s SER 208 Ca 0.00 1.63 -0.24 0.00 0.48 0.00 0.00 55.95 57.82 3gtg s SER 208 Cb 0.00 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 63.67 3gtg s SER 208 CO 0.00 -0.09 1.03 -1.61 0.98 0.00 0.00 173.24 173.55 3gtg s GLU 209 N -2.27 3.21 0.33 4.02 2.02 -1.26 -2.01 118.70 122.73 3gtg s GLU 209 Ca 0.50 -0.51 -0.26 0.00 0.02 0.00 0.00 54.97 54.72 3gtg s GLU 209 Cb -0.16 -4.16 -0.10 0.00 0.10 0.00 0.00 34.13 29.81 3gtg s GLU 209 CO 0.21 -1.78 0.95 0.15 0.02 0.00 0.00 175.26 174.81 3gtg s LYS 210 N 4.38 4.58 0.06 1.61 -0.14 -1.16 -1.86 119.74 127.21 3gtg s LYS 210 Ca 0.28 1.33 0.07 0.00 -1.36 0.00 0.00 55.97 56.29 3gtg s LYS 210 Cb -0.14 -2.79 -0.03 0.00 -1.68 0.00 0.00 37.83 33.19 3gtg s LYS 210 CO 0.14 0.27 -0.17 0.08 -0.76 0.00 0.00 175.35 174.91 3gtg s VAL 211 N -1.63 2.88 -0.40 3.17 1.01 0.37 -2.03 120.40 123.76 3gtg s VAL 211 Ca 0.50 -1.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 3gtg s VAL 211 Cb -0.18 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 33.96 3gtg s VAL 211 CO 0.24 0.28 0.52 -0.76 0.00 0.00 0.00 175.10 175.37 3gtg s LEU 212 N -1.63 4.58 -0.13 3.92 1.43 -1.26 -2.24 118.68 123.35 3gtg s LEU 212 Ca 0.16 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.61 3gtg s LEU 212 Cb -0.11 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 3gtg s LEU 212 CO 0.07 -0.60 0.98 -0.63 0.23 0.00 0.00 176.35 176.40 3gtg s ILE 213 N 2.41 4.79 -0.37 -0.59 1.01 -1.26 -4.73 121.20 122.46 3gtg s ILE 213 Ca 0.17 1.96 -0.37 0.00 0.00 0.00 0.00 60.65 62.42 3gtg s ILE 213 Cb -0.16 -4.28 -0.13 0.00 0.01 0.00 0.00 42.46 37.91 3gtg s ILE 213 CO 0.15 -0.01 2.16 0.00 0.00 0.00 0.00 174.94 177.24 3gtg n ALA 214 N 5.16 0.88 -1.86 9.38 0.00 -0.26 -4.74 120.51 129.07 3gtg n ALA 214 Ca 0.08 0.01 -0.40 0.00 0.00 0.00 0.00 53.44 53.13 3gtg n ALA 214 Cb 0.48 -2.45 -0.05 0.00 0.00 0.00 0.00 19.45 17.43 3gtg n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3gtg s GLN 215 N 6.02 4.77 0.01 0.00 -1.52 -0.60 0.15 119.66 128.49 3gtg s GLN 215 Ca 1.11 1.57 -0.01 0.00 -1.95 0.00 0.00 55.36 56.07 3gtg s GLN 215 Cb -0.97 -3.28 -0.04 0.00 -0.22 0.00 0.00 33.01 28.50 3gtg s GLN 215 CO 0.53 0.37 0.15 -2.00 -0.25 0.00 0.00 175.29 174.08 3gtg s GLU 216 N -0.98 3.28 0.12 2.91 2.12 1.00 0.06 118.70 127.21 3gtg s GLU 216 Ca 0.43 -0.42 -0.23 0.00 0.36 0.00 0.00 54.97 55.12 3gtg s GLU 216 Cb -0.27 -2.99 0.06 0.00 0.26 0.00 0.00 34.13 31.19 3gtg s GLU 216 CO 0.34 0.65 0.56 -0.98 -0.54 0.00 0.00 175.26 175.29 3gtg s ARG 217 N -2.00 1.19 0.41 4.30 1.70 -1.18 -4.34 118.95 119.04 3gtg s ARG 217 Ca 0.27 -0.41 -0.22 0.00 -0.47 0.00 0.00 55.73 54.91 3gtg s ARG 217 Cb -0.12 0.55 -0.11 0.00 -0.57 0.00 0.00 34.95 34.69 3gtg s ARG 217 CO 0.19 -0.49 0.95 0.45 -1.08 0.00 0.00 175.30 175.31 3gtg s SER 218 N -2.50 6.99 1.24 -2.89 0.15 -1.26 0.32 113.70 115.74 3gtg s SER 218 Ca -0.01 1.70 -0.17 0.00 0.70 0.00 0.00 55.95 58.18 3gtg s SER 218 Cb -0.00 -2.54 0.28 0.00 -1.71 0.00 0.00 66.02 62.04 3gtg s SER 218 CO -0.09 -0.32 0.72 0.00 1.20 0.00 0.00 173.24 174.75 3gtg n ALA 219 N -0.48 -3.66 -2.79 5.45 0.00 -1.05 -4.60 120.51 113.38 3gtg n ALA 219 Ca 0.06 -1.41 -0.22 0.00 0.00 0.00 0.00 53.44 51.87 3gtg n ALA 219 Cb 0.53 -1.71 -0.05 0.00 0.00 0.00 0.00 19.45 18.23 3gtg n ALA 219 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gtg s GLY 220 N -2.40 1.45 -1.27 0.00 0.00 -1.26 -4.85 107.32 99.00 3gtg s GLY 220 Ca 0.63 -1.46 -0.08 0.00 0.00 0.00 0.00 44.72 43.81 3gtg s GLY 220 CO 0.61 -1.50 0.64 0.70 0.00 0.00 0.00 173.10 173.55 3gtg n ASN 221 N -1.15 -2.58 -3.94 1.64 3.02 -1.06 -4.93 115.26 106.27 3gtg n ASN 221 Ca -0.07 -0.96 -0.16 0.00 -0.03 0.00 0.00 54.58 53.35 3gtg n ASN 221 Cb 0.58 -3.44 -0.15 0.00 -0.61 0.00 0.00 39.78 36.16 3gtg n ASN 221 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3gtg s ILE 222 N -3.69 0.40 -0.61 2.41 -4.36 -1.26 -4.24 121.20 109.85 3gtg s ILE 222 Ca 0.20 -0.18 -0.27 0.00 -0.26 0.00 0.00 60.65 60.14 3gtg s ILE 222 Cb -0.07 -0.36 -0.01 0.00 1.25 0.00 0.00 42.46 43.27 3gtg s ILE 222 CO 0.86 0.13 1.67 0.54 0.24 0.00 0.00 174.94 178.38 3gtg s VAL 223 N 0.10 3.50 -0.17 8.37 0.11 -1.26 -4.44 120.40 126.62 3gtg s VAL 223 Ca -0.01 0.34 -0.01 0.00 -2.93 0.00 0.00 61.98 59.37 3gtg s VAL 223 Cb -0.05 -4.19 -0.00 0.00 -1.53 0.00 0.00 36.38 30.61 3gtg s VAL 223 CO -0.00 -1.10 -0.12 -1.10 -3.33 0.00 0.00 175.10 169.44 3gtg s GLN 224 N 6.44 3.29 -0.33 1.54 -0.21 -1.12 -5.01 119.66 124.26 3gtg s GLN 224 Ca 0.59 -0.70 -0.12 0.00 0.02 0.00 0.00 55.36 55.16 3gtg s GLN 224 Cb -0.12 -2.74 -0.01 0.00 1.00 0.00 0.00 33.01 31.14 3gtg s GLN 224 CO 0.21 -0.02 0.20 0.08 -2.12 0.00 0.00 175.29 173.65 3gtg s VAL 225 N 0.94 5.01 -0.18 1.09 1.01 -1.26 -0.41 120.40 126.59 3gtg s VAL 225 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3gtg s VAL 225 Cb -0.15 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.71 3gtg s VAL 225 CO -0.01 0.02 -0.09 -0.36 0.00 0.00 0.00 175.10 174.66 3gtg s PHE 226 N 1.68 2.20 0.43 5.22 2.99 0.34 -0.74 117.98 130.10 3gtg s PHE 226 Ca 0.05 -1.42 -0.25 0.00 0.00 0.00 0.00 56.93 55.32 3gtg s PHE 226 Cb -0.17 -1.55 -0.08 0.00 0.00 0.00 0.00 43.02 41.22 3gtg s PHE 226 CO 0.09 -0.70 1.25 0.15 -0.00 0.00 0.00 175.22 176.01 3gtg s LYS 227 N 1.47 3.86 0.09 0.44 1.02 -1.26 -0.50 119.74 124.85 3gtg s LYS 227 Ca 0.00 2.01 0.06 0.00 0.02 0.00 0.00 55.97 58.06 3gtg s LYS 227 Cb -0.16 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 3gtg s LYS 227 CO -0.08 -0.54 -0.07 0.15 -0.92 0.00 0.00 175.35 173.89 3gtg s LYS 228 N -2.41 2.29 0.09 1.68 1.02 -0.96 -4.89 119.74 116.56 3gtg s LYS 228 Ca 0.60 -0.94 -0.01 0.00 0.02 0.00 0.00 55.97 55.64 3gtg s LYS 228 Cb -0.35 -2.39 0.02 0.00 -0.52 0.00 0.00 37.83 34.60 3gtg s LYS 228 CO 0.44 0.53 0.13 0.00 -0.92 0.00 0.00 175.35 175.52 3gtg n ALA 229 N 0.80 -0.11 -0.00 5.17 0.00 -1.26 -4.72 120.51 120.39 3gtg n ALA 229 Ca -0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.11 3gtg n ALA 229 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 3gtg n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtg h ALA 230 N -1.53 -0.46 -0.62 0.00 0.00 -2.01 -3.25 119.26 111.39 3gtg h ALA 230 Ca -0.04 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.35 3gtg h ALA 230 Cb 0.12 0.64 -0.19 0.00 0.00 0.00 0.00 17.79 18.36 3gtg h ALA 230 CO 0.03 -0.49 0.53 -0.35 0.00 0.00 0.00 179.25 178.98 3gtg n PRO 231 N -2.91 2.35 -5.08 0.00 -0.04 -1.26 -4.88 135.00 123.19 3gtg n PRO 231 Ca -0.01 -2.43 -0.32 0.00 -0.04 0.00 0.00 63.50 60.70 3gtg n PRO 231 Cb 0.04 -2.07 -0.15 0.00 -0.04 0.00 0.00 33.50 31.28 3gtg n PRO 231 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3gtg s SER 232 N -0.06 3.48 0.26 3.54 1.04 -1.23 -5.01 113.70 115.72 3gtg s SER 232 Ca 0.53 -0.41 0.16 0.00 0.48 0.00 0.00 55.95 56.70 3gtg s SER 232 Cb 0.37 -1.06 0.85 0.00 0.10 0.00 0.00 66.02 66.28 3gtg s SER 232 CO -0.19 0.24 1.44 -2.65 0.98 0.00 0.00 173.24 173.06 3gtg n PRO 233 N 2.99 0.10 -4.18 4.02 -0.02 -1.26 -4.59 135.00 132.06 3gtg n PRO 233 Ca -0.18 0.59 -0.30 0.00 -2.02 0.00 0.00 63.50 61.58 3gtg n PRO 233 Cb 0.52 -1.92 -0.08 0.00 -0.02 0.00 0.00 33.50 32.00 3gtg n PRO 233 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gtg s ILE 234 N -3.37 3.91 -0.04 4.25 -1.09 -1.26 -2.09 121.20 121.51 3gtg s ILE 234 Ca -0.02 -0.98 0.05 0.00 -2.23 0.00 0.00 60.65 57.47 3gtg s ILE 234 Cb 0.04 -2.84 -0.07 0.00 -1.58 0.00 0.00 42.46 38.02 3gtg s ILE 234 CO 0.14 0.16 0.04 -1.54 -1.23 0.00 0.00 174.94 172.51 3gtg n SER 235 N 0.73 3.78 -3.79 3.58 3.41 -0.68 -4.62 113.62 116.03 3gtg n SER 235 Ca -0.12 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.36 3gtg n SER 235 Cb 0.52 0.75 -0.09 0.00 -0.26 0.00 0.00 64.21 65.13 3gtg n SER 235 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3gtg s HIS 236 N -2.17 -0.14 0.01 7.33 3.76 -1.25 -2.27 115.29 120.55 3gtg s HIS 236 Ca -0.02 0.23 -0.01 0.00 -0.15 0.00 0.00 55.06 55.11 3gtg s HIS 236 Cb 0.02 0.06 -0.01 0.00 1.11 0.00 0.00 32.58 33.76 3gtg s HIS 236 CO 0.21 -0.34 -0.00 0.08 -0.85 0.00 0.00 174.74 173.83 3gtg s VAL 237 N -1.19 0.08 -0.10 -0.90 1.01 0.35 -1.78 120.40 117.86 3gtg s VAL 237 Ca -0.12 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3gtg s VAL 237 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 3gtg s VAL 237 CO 0.03 -0.36 -0.14 0.00 0.00 0.00 0.00 175.10 174.64 3gtg s ALA 238 N -1.07 2.62 0.35 5.51 0.00 -0.77 0.12 121.76 128.52 3gtg s ALA 238 Ca -0.12 -0.92 0.09 0.00 0.00 0.00 0.00 51.96 51.01 3gtg s ALA 238 Cb -0.07 -1.12 -0.06 0.00 0.00 0.00 0.00 23.12 21.88 3gtg s ALA 238 CO -0.00 0.35 0.00 -1.21 0.00 0.00 0.00 175.76 174.90 3gtg s GLU 239 N -0.01 2.04 -0.29 0.00 2.02 0.45 -2.45 118.70 120.46 3gtg s GLU 239 Ca -0.04 -1.79 -0.15 0.00 0.02 0.00 0.00 54.97 53.01 3gtg s GLU 239 Cb -0.14 -1.89 0.12 0.00 0.10 0.00 0.00 34.13 32.32 3gtg s GLU 239 CO 0.04 0.12 0.82 -1.50 0.02 0.00 0.00 175.26 174.76 3gtg s ILE 240 N -2.54 -0.22 -1.07 -1.63 2.07 -1.22 -2.81 121.20 113.78 3gtg s ILE 240 Ca 0.35 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.46 3gtg s ILE 240 Cb 0.01 -1.00 0.22 0.00 0.13 0.00 0.00 42.46 41.81 3gtg s ILE 240 CO 0.19 0.00 1.15 -0.13 -1.91 0.00 0.00 174.94 174.24 3gtg s ARG 241 N 1.84 3.98 -0.32 3.50 0.52 -1.26 -3.43 118.95 123.78 3gtg s ARG 241 Ca -0.08 -2.69 -0.29 0.00 -0.52 0.00 0.00 55.73 52.15 3gtg s ARG 241 Cb -0.06 -4.74 -0.00 0.00 0.52 0.00 0.00 34.95 30.67 3gtg s ARG 241 CO -0.18 -1.48 1.36 -1.54 0.02 0.00 0.00 175.30 173.48 3gtg s SER 242 N 2.24 6.56 0.03 0.23 1.04 -1.25 -2.55 113.70 120.01 3gtg s SER 242 Ca 0.32 1.17 -0.04 0.00 0.48 0.00 0.00 55.95 57.89 3gtg s SER 242 Cb -0.07 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.49 3gtg s SER 242 CO -0.06 -1.18 0.05 0.00 0.98 0.00 0.00 173.24 173.03 3gtg s ALA 243 N 4.71 0.04 -0.18 5.32 0.00 -1.26 -3.56 121.76 126.83 3gtg s ALA 243 Ca 0.59 -0.62 -0.06 0.00 0.00 0.00 0.00 51.96 51.87 3gtg s ALA 243 Cb -0.17 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3gtg s ALA 243 CO 0.26 -0.27 0.03 -0.51 0.00 0.00 0.00 175.76 175.27 3gtg s LEU 244 N -1.99 3.60 0.22 0.00 1.02 -1.26 -4.64 118.68 115.63 3gtg s LEU 244 Ca -0.07 -0.01 -0.03 0.00 0.02 0.00 0.00 54.13 54.03 3gtg s LEU 244 Cb -0.03 -1.90 0.21 0.00 0.02 0.00 0.00 46.19 44.49 3gtg s LEU 244 CO -0.04 0.15 1.63 1.05 0.02 0.00 0.00 176.35 179.16 3gtg h GLU 245 N 6.84 0.71 -1.01 1.70 4.11 -2.01 -2.87 114.58 122.04 3gtg h GLU 245 Ca -0.35 -0.30 -0.54 0.00 0.07 0.00 0.00 59.36 58.24 3gtg h GLU 245 Cb 1.18 -0.02 -0.29 0.00 0.50 0.00 0.00 28.75 30.11 3gtg h GLU 245 CO 0.67 0.90 0.68 0.36 0.07 0.00 0.00 179.01 181.69 3gtg n LYS 246 N -4.09 2.30 -2.91 1.06 2.85 -1.26 -4.63 118.16 111.48 3gtg n LYS 246 Ca -0.00 -2.93 -0.13 0.00 -1.05 0.00 0.00 58.31 54.20 3gtg n LYS 246 Cb 0.45 -2.15 0.01 0.00 -0.65 0.00 0.00 35.03 32.70 3gtg n LYS 246 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gtg n GLY 247 N -0.99 2.38 7.00 2.58 0.00 -1.08 -5.07 105.19 110.01 3gtg n GLY 247 Ca 0.58 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3gtg n GLY 247 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gtg n SER 248 N 0.09 0.00 -3.02 1.61 7.64 -1.26 -4.19 113.62 114.48 3gtg n SER 248 Ca 0.15 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.86 3gtg n SER 248 Cb 0.74 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.92 3gtg n SER 248 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3gtg n ARG 249 N 13.76 0.69 -2.43 1.43 3.00 -1.26 -4.90 116.66 126.95 3gtg n ARG 249 Ca 0.00 -2.61 -0.43 0.00 -0.00 0.00 0.00 57.85 54.82 3gtg n ARG 249 Cb 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 32.46 31.11 3gtg n ARG 249 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3gtg n PHE 250 N 1.67 2.81 -1.89 -0.14 3.72 -1.26 -4.95 117.46 117.42 3gtg n PHE 250 Ca 0.17 -2.75 -0.22 0.00 -0.05 0.00 0.00 57.45 54.60 3gtg n PHE 250 Cb 0.57 -1.83 -0.06 0.00 -0.94 0.00 0.00 39.48 37.21 3gtg n PHE 250 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3gtg s ILE 251 N -0.13 3.32 -0.43 4.37 -1.09 -1.26 -4.67 121.20 121.30 3gtg s ILE 251 Ca 0.38 -0.36 -0.11 0.00 -2.23 0.00 0.00 60.65 58.33 3gtg s ILE 251 Cb 0.09 -3.88 0.07 0.00 -1.58 0.00 0.00 42.46 37.16 3gtg s ILE 251 CO 0.02 -0.63 0.30 -0.55 -1.23 0.00 0.00 174.94 172.84 3gtg s SER 252 N 8.47 5.82 -0.06 3.58 0.15 -1.23 -5.03 113.70 125.39 3gtg s SER 252 Ca 0.76 -1.38 -0.13 0.00 0.70 0.00 0.00 55.95 55.91 3gtg s SER 252 Cb -0.07 -2.06 -0.05 0.00 -1.71 0.00 0.00 66.02 62.14 3gtg s SER 252 CO 0.06 -0.55 0.32 0.42 1.20 0.00 0.00 173.24 174.69 3gtg s THR 253 N 1.51 5.20 -0.00 6.45 -4.23 -1.26 -3.85 115.64 119.46 3gtg s THR 253 Ca 0.03 0.64 0.08 0.00 -1.18 0.00 0.00 61.69 61.26 3gtg s THR 253 Cb -0.23 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 69.96 3gtg s THR 253 CO 0.04 0.55 -0.25 -0.22 -0.54 0.00 0.00 174.62 174.20 3gtg s LEU 254 N -0.72 2.08 -0.06 4.79 2.96 -1.22 -4.54 118.68 121.96 3gtg s LEU 254 Ca 0.20 -0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 53.63 3gtg s LEU 254 Cb -0.15 -1.27 0.02 0.00 0.50 0.00 0.00 46.19 45.29 3gtg s LEU 254 CO 0.09 0.29 -0.03 -1.10 -1.32 0.00 0.00 176.35 174.28 3gtg s GLN 255 N -0.75 0.83 -0.31 1.98 -0.21 -1.24 -3.42 119.66 116.54 3gtg s GLN 255 Ca 0.10 -0.04 -0.16 0.00 0.02 0.00 0.00 55.36 55.28 3gtg s GLN 255 Cb -0.10 -0.99 -0.02 0.00 1.00 0.00 0.00 33.01 32.91 3gtg s GLN 255 CO -0.00 -0.19 0.42 0.08 -2.12 0.00 0.00 175.29 173.47 3gtg s VAL 256 N 1.44 5.12 0.51 1.09 1.01 -1.03 0.14 120.40 128.69 3gtg s VAL 256 Ca -0.03 0.39 0.06 0.00 0.00 0.00 0.00 61.98 62.40 3gtg s VAL 256 Cb -0.13 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.47 3gtg s VAL 256 CO -0.03 -0.02 0.70 -0.54 0.00 0.00 0.00 175.10 175.21 3gtg s LYS 257 N 2.16 2.57 -0.21 2.72 1.02 -0.88 -1.84 119.74 125.29 3gtg s LYS 257 Ca 0.16 -1.16 -0.04 0.00 0.02 0.00 0.00 55.97 54.95 3gtg s LYS 257 Cb -0.16 -2.63 0.10 0.00 -0.52 0.00 0.00 37.83 34.62 3gtg s LYS 257 CO 0.11 -0.59 0.24 -1.17 -0.92 0.00 0.00 175.35 173.02 3gtg s LEU 258 N -4.58 -0.17 0.58 3.17 2.96 -0.73 -3.73 118.68 116.17 3gtg s LEU 258 Ca 0.58 -0.16 -0.15 0.00 -0.22 0.00 0.00 54.13 54.18 3gtg s LEU 258 Cb -0.09 0.47 -0.05 0.00 0.50 0.00 0.00 46.19 47.02 3gtg s LEU 258 CO 0.36 -0.32 1.03 -0.31 -1.32 0.00 0.00 176.35 175.79 3gtg s TYR 259 N 2.35 3.25 0.18 5.38 1.51 -0.83 -1.69 117.35 127.50 3gtg s TYR 259 Ca 0.07 1.46 0.00 0.00 -1.01 0.00 0.00 57.07 57.59 3gtg s TYR 259 Cb -0.16 -2.88 0.00 0.00 -0.11 0.00 0.00 41.96 38.81 3gtg s TYR 259 CO -0.12 -0.80 0.00 0.41 -1.11 0.00 0.00 175.55 173.93 3gtg n GLY 260 N -1.52 -4.60 2.20 0.71 0.00 -0.89 -4.18 105.19 96.92 3gtg n GLY 260 Ca 0.07 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 3gtg n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gtg n ARG 261 N 0.70 -1.09 -1.66 1.61 1.74 -1.26 -4.64 116.66 112.06 3gtg n ARG 261 Ca 0.00 -1.16 -0.49 0.00 -0.77 0.00 0.00 57.85 55.43 3gtg n ARG 261 Cb 0.00 -0.83 -0.05 0.00 -1.02 0.00 0.00 32.46 30.56 3gtg n ARG 261 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3gtg n GLU 262 N -2.82 1.98 -0.67 5.56 0.00 -1.26 -1.43 120.64 122.00 3gtg n GLU 262 Ca 0.10 0.71 0.00 0.00 0.00 0.00 0.00 57.16 57.97 3gtg n GLU 262 Cb 0.34 -2.60 0.00 0.00 0.00 0.00 0.00 31.44 29.18 3gtg n GLU 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3gtg n GLY 263 N 4.61 0.64 1.34 8.31 0.00 -1.26 -5.07 105.19 113.76 3gtg n GLY 263 Ca 0.25 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3gtg n GLY 263 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gtg n SER 264 N 0.42 -1.61 0.00 1.61 2.88 -0.51 -5.03 113.62 111.39 3gtg n SER 264 Ca 0.00 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.84 3gtg n SER 264 Cb 0.00 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 3gtg n SER 264 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3gtg n SER 265 N -3.77 0.00 -4.33 -3.46 7.64 -1.26 -4.90 113.62 103.54 3gtg n SER 265 Ca 0.06 0.26 -0.34 0.00 1.01 0.00 0.00 58.87 59.86 3gtg n SER 265 Cb 0.23 -0.28 -0.14 0.00 -1.01 0.00 0.00 64.21 63.00 3gtg n SER 265 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gtg s ALA 266 N -3.46 2.74 -1.12 -0.43 0.00 -1.26 -5.05 121.76 113.18 3gtg s ALA 266 Ca 0.00 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 50.78 3gtg s ALA 266 Cb 0.00 -1.51 0.23 0.00 0.00 0.00 0.00 23.12 21.83 3gtg s ALA 266 CO 0.00 -0.17 1.21 1.03 0.00 0.00 0.00 175.76 177.83 3gtg s ARG 267 N 1.04 4.09 0.03 0.00 0.52 -1.26 -4.68 118.95 118.69 3gtg s ARG 267 Ca 0.00 -2.86 -0.27 0.00 -0.52 0.00 0.00 55.73 52.08 3gtg s ARG 267 Cb -0.15 -4.76 -0.05 0.00 0.52 0.00 0.00 34.95 30.52 3gtg s ARG 267 CO -0.01 -1.47 0.86 -0.08 0.02 0.00 0.00 175.30 174.63 3gtg s THR 268 N 0.09 4.77 -0.24 0.02 -1.32 -1.26 -4.65 115.64 113.04 3gtg s THR 268 Ca 0.34 1.82 -0.07 0.00 -1.21 0.00 0.00 61.69 62.58 3gtg s THR 268 Cb -0.07 -4.21 -0.03 0.00 -1.51 0.00 0.00 72.50 66.68 3gtg s THR 268 CO -0.05 0.28 0.07 -0.63 -2.21 0.00 0.00 174.62 172.07 3gtg s ILE 269 N 0.40 4.39 0.03 5.08 1.01 -1.26 -1.96 121.20 128.88 3gtg s ILE 269 Ca 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.94 3gtg s ILE 269 Cb -0.21 -3.04 -0.00 0.00 0.01 0.00 0.00 42.46 39.22 3gtg s ILE 269 CO 0.25 0.36 0.00 0.29 0.00 0.00 0.00 174.94 175.84 3gtg n LYS 270 N 4.71 1.53 -3.60 2.79 5.02 -1.24 -2.33 118.16 125.04 3gtg n LYS 270 Ca -0.16 -0.23 -0.16 0.00 -2.02 0.00 0.00 58.31 55.74 3gtg n LYS 270 Cb 0.52 0.09 -0.07 0.00 -0.02 0.00 0.00 35.03 35.54 3gtg n LYS 270 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gtg s ALA 271 N -2.06 -1.59 -0.34 7.82 0.00 -1.20 -2.07 121.76 122.31 3gtg s ALA 271 Ca 0.01 1.38 -0.28 0.00 0.00 0.00 0.00 51.96 53.06 3gtg s ALA 271 Cb 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.77 3gtg s ALA 271 CO 0.00 -0.33 1.05 0.99 0.00 0.00 0.00 175.76 177.47 3gtg s THR 272 N -0.67 4.50 -0.19 0.00 2.01 0.12 -2.25 115.64 119.16 3gtg s THR 272 Ca -0.07 1.62 -0.01 0.00 0.31 0.00 0.00 61.69 63.54 3gtg s THR 272 Cb -0.02 -4.41 0.01 0.00 0.01 0.00 0.00 72.50 68.08 3gtg s THR 272 CO 0.06 -0.52 -0.14 -0.76 -0.69 0.00 0.00 174.62 172.57 3gtg s LEU 273 N 3.68 2.43 0.24 4.42 1.43 -1.26 -3.60 118.68 126.01 3gtg s LEU 273 Ca 0.44 -0.54 -0.31 0.00 -1.03 0.00 0.00 54.13 52.69 3gtg s LEU 273 Cb -0.12 -1.58 -0.11 0.00 0.03 0.00 0.00 46.19 44.41 3gtg s LEU 273 CO 0.17 0.00 1.63 -2.84 0.23 0.00 0.00 176.35 175.55 3gtg s PRO 274 N 1.29 4.14 0.00 1.29 0.02 -1.26 -1.89 135.00 138.60 3gtg s PRO 274 Ca 0.04 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3gtg s PRO 274 Cb -0.14 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.32 3gtg s PRO 274 CO -0.08 -0.67 0.00 0.66 -0.33 0.00 0.00 177.00 176.58 3gtg n TYR 275 N 3.13 0.00 -4.39 6.54 0.53 -1.26 -4.92 117.16 116.78 3gtg n TYR 275 Ca 0.12 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 56.70 3gtg n TYR 275 Cb 0.37 0.00 -0.12 0.00 -1.03 0.00 0.00 39.34 38.56 3gtg n TYR 275 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3gtg s ILE 276 N -3.27 2.89 0.18 -0.72 1.01 -0.79 -4.95 121.20 115.56 3gtg s ILE 276 Ca 0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 60.65 59.25 3gtg s ILE 276 Cb 0.00 -2.30 -0.09 0.00 0.01 0.00 0.00 42.46 40.08 3gtg s ILE 276 CO 0.00 0.17 1.45 0.50 0.00 0.00 0.00 174.94 177.06 3gtg h LYS 277 N 3.95 0.43 -5.57 2.79 3.64 -1.85 -3.44 116.57 116.52 3gtg h LYS 277 Ca -0.49 -0.33 -0.61 0.00 -1.27 0.00 0.00 60.65 57.95 3gtg h LYS 277 Cb 1.16 0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 32.92 3gtg h LYS 277 CO 0.47 0.96 -0.60 -0.65 -2.27 0.00 0.00 179.45 177.36 3gtg s GLN 278 N -3.70 1.93 0.11 1.90 -0.21 -1.26 -5.10 119.66 113.32 3gtg s GLN 278 Ca -0.06 -2.10 -0.24 0.00 0.02 0.00 0.00 55.36 52.98 3gtg s GLN 278 Cb 0.11 -1.51 -0.07 0.00 1.00 0.00 0.00 33.01 32.53 3gtg s GLN 278 CO 0.84 -0.09 0.74 -0.51 -2.12 0.00 0.00 175.29 174.15 3gtg s ASP 279 N -3.69 7.27 -0.17 5.90 1.11 -1.26 -4.54 116.67 121.30 3gtg s ASP 279 Ca 0.34 1.51 -0.00 0.00 0.18 0.00 0.00 52.55 54.58 3gtg s ASP 279 Cb 0.09 -2.47 0.04 0.00 1.07 0.00 0.00 42.92 41.66 3gtg s ASP 279 CO 0.17 0.15 -0.07 -0.63 1.18 0.00 0.00 175.17 175.96 3gtg s ILE 280 N -0.74 1.29 0.13 0.77 -1.09 -0.95 -4.74 121.20 115.87 3gtg s ILE 280 Ca 0.36 -0.71 -0.35 0.00 -2.23 0.00 0.00 60.65 57.72 3gtg s ILE 280 Cb -0.22 -1.40 -0.17 0.00 -1.58 0.00 0.00 42.46 39.10 3gtg s ILE 280 CO 0.24 0.18 1.17 -2.65 -1.23 0.00 0.00 174.94 172.65 3gtg n PRO 281 N 4.82 0.96 -0.07 2.79 -0.02 -1.26 -3.25 135.00 138.96 3gtg n PRO 281 Ca -0.13 0.34 0.14 0.00 -2.02 0.00 0.00 63.50 61.83 3gtg n PRO 281 Cb 0.48 -1.86 0.53 0.00 -0.02 0.00 0.00 33.50 32.63 3gtg n PRO 281 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3gtg h ILE 282 N 2.81 0.86 -0.59 4.25 -0.00 -1.78 -1.25 117.51 121.81 3gtg h ILE 282 Ca -0.45 -0.11 -0.05 0.00 -0.00 0.00 0.00 64.86 64.25 3gtg h ILE 282 Cb 1.36 0.49 -0.02 0.00 -0.00 0.00 0.00 36.82 38.64 3gtg h ILE 282 CO 0.71 0.06 0.19 -0.37 -0.00 0.00 0.00 178.15 178.74 3gtg h VAL 283 N 0.33 1.24 -0.54 0.16 -1.51 -1.87 -0.25 116.25 113.82 3gtg h VAL 283 Ca 0.28 -0.80 -0.03 0.00 -1.23 0.00 0.00 66.70 64.92 3gtg h VAL 283 Cb 0.65 0.65 -0.02 0.00 -2.13 0.00 0.00 31.29 30.44 3gtg h VAL 283 CO -0.07 0.30 0.23 0.40 -1.23 0.00 0.00 177.57 177.20 3gtg h ILE 284 N 0.83 1.21 -0.12 7.19 1.08 -1.58 -1.75 117.51 124.38 3gtg h ILE 284 Ca 0.19 -0.65 0.03 0.00 -0.39 0.00 0.00 64.86 64.04 3gtg h ILE 284 Cb 0.27 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 3gtg h ILE 284 CO -0.01 0.25 -0.09 0.40 -0.69 0.00 0.00 178.15 178.01 3gtg h ILE 285 N 0.73 0.72 -0.53 -0.67 1.08 -1.24 0.36 117.51 117.96 3gtg h ILE 285 Ca 0.18 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.73 3gtg h ILE 285 Cb 0.18 0.72 -0.06 0.00 -3.07 0.00 0.00 36.82 34.59 3gtg h ILE 285 CO -0.02 0.00 0.19 -0.26 -0.69 0.00 0.00 178.15 177.37 3gtg h PHE 286 N -0.11 0.33 0.03 1.37 -1.00 -0.95 -1.48 116.94 115.14 3gtg h PHE 286 Ca 0.08 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 3gtg h PHE 286 Cb 0.22 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.71 3gtg h PHE 286 CO -0.22 0.10 -0.02 0.00 -1.61 0.00 0.00 178.31 176.56 3gtg h ARG 287 N 0.37 -0.04 -0.09 1.51 3.08 -0.48 -1.37 114.38 117.35 3gtg h ARG 287 Ca 0.26 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.34 3gtg h ARG 287 Cb 0.29 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3gtg h ARG 287 CO -0.27 -0.01 0.18 0.00 -1.07 0.00 0.00 179.97 178.80 3gtg h ALA 288 N 0.90 1.48 0.12 0.04 0.00 0.03 -2.49 119.26 119.35 3gtg h ALA 288 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gtg h ALA 288 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3gtg h ALA 288 CO 0.01 -0.22 -0.06 -0.07 0.00 0.00 0.00 179.25 178.90 3gtg h LEU 289 N 0.00 -0.14 0.00 0.00 3.38 -0.22 -3.46 115.31 114.87 3gtg h LEU 289 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gtg h LEU 289 Cb 0.40 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3gtg h LEU 289 CO -0.00 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.25 3gtg n GLY 290 N 1.14 0.00 2.83 0.83 0.00 -0.74 -5.01 105.19 104.24 3gtg n GLY 290 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3gtg n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtg s ILE 291 N 0.00 1.08 -0.17 -0.61 1.09 -1.12 -5.00 121.20 116.47 3gtg s ILE 291 Ca 0.00 -1.07 -0.05 0.00 -1.10 0.00 0.00 60.65 58.43 3gtg s ILE 291 Cb 0.00 -1.54 -0.23 0.00 -1.06 0.00 0.00 42.46 39.63 3gtg s ILE 291 CO 0.00 -0.27 0.16 -0.38 -0.10 0.00 0.00 174.94 174.35 3gtg n ILE 292 N 4.82 1.68 -3.16 2.92 2.08 -1.26 -3.56 119.36 122.88 3gtg n ILE 292 Ca -0.08 -0.59 -0.39 0.00 0.56 0.00 0.00 62.75 62.24 3gtg n ILE 292 Cb 0.45 -1.66 -0.06 0.00 -0.75 0.00 0.00 39.64 37.62 3gtg n ILE 292 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3gtg s PRO 293 N -2.54 4.35 1.03 0.38 0.04 -1.26 -4.92 135.00 132.09 3gtg s PRO 293 Ca -0.27 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 61.43 3gtg s PRO 293 Cb 0.07 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 31.32 3gtg s PRO 293 CO 0.70 0.41 -0.00 -0.25 0.04 0.00 0.00 177.00 177.90 3gtg n ASP 294 N 2.51 -2.61 0.00 6.66 10.43 -1.26 -1.21 116.55 131.06 3gtg n ASP 294 Ca -0.06 0.10 0.00 0.00 2.57 0.00 0.00 54.79 57.40 3gtg n ASP 294 Cb 0.51 -1.01 0.00 0.00 1.84 0.00 0.00 41.12 42.45 3gtg n ASP 294 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gtg n GLY 295 N 2.03 0.33 0.00 0.44 0.00 -1.26 -4.13 105.19 102.59 3gtg n GLY 295 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3gtg n GLY 295 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3gtg n GLU 296 N -2.00 2.01 -0.28 1.61 2.13 -1.07 -4.56 120.64 118.48 3gtg n GLU 296 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 3gtg n GLU 296 Cb 0.00 -0.99 0.15 0.00 0.27 0.00 0.00 31.44 30.87 3gtg n GLU 296 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3gtg h ILE 297 N 0.00 0.21 0.00 6.31 1.08 -1.32 0.35 117.51 124.15 3gtg h ILE 297 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3gtg h ILE 297 Cb 0.99 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 3gtg h ILE 297 CO 0.00 0.01 0.00 0.18 -0.69 0.00 0.00 178.15 177.65 3gtg n LEU 298 N -5.46 0.00 0.04 1.44 4.77 -1.26 -2.35 117.00 114.17 3gtg n LEU 298 Ca 0.14 0.02 0.11 0.00 -0.03 0.00 0.00 56.01 56.25 3gtg n LEU 298 Cb 0.49 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 3gtg n LEU 298 CO -0.01 -0.01 -0.15 -0.62 -1.33 0.00 0.00 177.39 175.27 3gtg n GLU 299 N -1.02 0.44 0.04 3.23 -0.58 0.12 -2.15 120.64 120.72 3gtg n GLU 299 Ca 0.15 -0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.77 3gtg n GLU 299 Cb 0.08 -1.64 -0.13 0.00 -0.57 0.00 0.00 31.44 29.18 3gtg n GLU 299 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3gtg h HIS 300 N 0.00 0.18 0.00 -0.32 3.86 -1.45 -3.43 115.15 113.98 3gtg h HIS 300 Ca 0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3gtg h HIS 300 Cb 0.85 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.31 3gtg h HIS 300 CO 0.00 1.15 0.00 -0.89 0.86 0.00 0.00 177.93 179.05 3gtg n ILE 301 N -3.31 0.00 -3.18 2.45 5.41 -1.22 -4.14 119.36 115.37 3gtg n ILE 301 Ca -0.11 0.38 -0.36 0.00 1.00 0.00 0.00 62.75 63.67 3gtg n ILE 301 Cb 1.01 -1.07 -0.06 0.00 -0.71 0.00 0.00 39.64 38.81 3gtg n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gtg n TYR 303 N 0.65 0.00 -3.68 0.00 0.53 -1.26 -4.44 117.16 108.95 3gtg n TYR 303 Ca -0.03 0.00 -0.29 0.00 -1.02 0.00 0.00 57.90 56.57 3gtg n TYR 303 Cb 0.51 0.00 -0.16 0.00 -1.03 0.00 0.00 39.34 38.67 3gtg n TYR 303 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3gtg s ASP 304 N -0.83 3.38 0.00 7.72 2.15 -1.26 -4.73 116.67 123.11 3gtg s ASP 304 Ca 0.07 -1.18 0.00 0.00 0.43 0.00 0.00 52.55 51.87 3gtg s ASP 304 Cb 0.06 -0.60 0.00 0.00 -0.30 0.00 0.00 42.92 42.08 3gtg s ASP 304 CO 0.13 -0.37 0.22 0.52 -0.17 0.00 0.00 175.17 175.50 3gtg n VAL 305 N 5.04 0.00 -0.00 1.11 0.31 -1.26 -2.80 118.33 120.73 3gtg n VAL 305 Ca -0.06 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3gtg n VAL 305 Cb 0.44 -0.25 -0.00 0.00 -0.91 0.00 0.00 33.84 33.12 3gtg n VAL 305 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3gtg n ASN 306 N -0.08 0.12 -4.48 4.52 3.02 -1.26 -4.90 115.26 112.20 3gtg n ASN 306 Ca 0.00 0.14 -0.46 0.00 -0.03 0.00 0.00 54.58 54.23 3gtg n ASN 306 Cb 0.04 -0.52 -0.07 0.00 -0.61 0.00 0.00 39.78 38.61 3gtg n ASN 306 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3gtg n ASP 307 N -2.51 1.93 0.03 6.41 8.00 -1.12 -4.75 116.55 124.53 3gtg n ASP 307 Ca -0.01 0.19 -0.18 0.00 0.71 0.00 0.00 54.79 55.50 3gtg n ASP 307 Cb 0.02 -1.29 -0.14 0.00 -0.02 0.00 0.00 41.12 39.70 3gtg n ASP 307 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 3gtg h TRP 308 N 13.85 0.41 -0.82 1.24 5.08 -1.90 -3.26 115.95 130.54 3gtg h TRP 308 Ca -0.24 -0.30 0.06 0.00 1.08 0.00 0.00 58.89 59.50 3gtg h TRP 308 Cb 1.31 -0.02 -0.05 0.00 -3.00 0.00 0.00 29.16 27.40 3gtg h TRP 308 CO 0.98 1.50 0.54 1.96 -1.28 0.00 0.00 178.44 182.14 3gtg h GLN 309 N 0.06 0.88 0.07 0.12 4.20 -1.98 1.17 115.11 119.63 3gtg h GLN 309 Ca -0.33 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.33 3gtg h GLN 309 Cb 2.03 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 29.58 3gtg h GLN 309 CO 0.12 0.58 -0.40 1.98 -0.67 0.00 0.00 178.83 180.44 3gtg h MET 310 N 0.90 -0.54 -0.93 1.46 4.05 -1.95 -2.07 114.93 115.86 3gtg h MET 310 Ca 0.35 0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.82 3gtg h MET 310 Cb 0.22 0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 31.10 3gtg h MET 310 CO -0.13 -0.36 0.62 -0.07 0.23 0.00 0.00 176.91 177.20 3gtg h LEU 311 N -0.56 1.06 -1.42 3.39 3.38 -0.54 -2.47 115.31 118.16 3gtg h LEU 311 Ca -0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3gtg h LEU 311 Cb 0.57 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3gtg h LEU 311 CO -0.23 0.76 -0.04 -0.08 0.09 0.00 0.00 178.44 178.94 3gtg h GLU 312 N 1.25 0.33 0.00 1.13 4.57 0.13 -2.13 114.58 119.86 3gtg h GLU 312 Ca 0.35 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 3gtg h GLU 312 Cb -0.12 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 3gtg h GLU 312 CO -0.08 0.39 0.00 0.52 -1.18 0.00 0.00 179.01 178.66 3gtg h MET 313 N 0.32 0.00 0.00 1.92 2.86 -0.88 -2.91 114.93 116.24 3gtg h MET 313 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3gtg h MET 313 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3gtg h MET 313 CO 0.01 0.00 -1.11 1.28 1.06 0.00 0.00 176.91 178.15 3gtg n LEU 314 N -2.82 0.65 -0.23 1.22 4.77 -0.80 -4.43 117.00 115.36 3gtg n LEU 314 Ca -0.00 0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 56.13 3gtg n LEU 314 Cb 0.19 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3gtg n LEU 314 CO 0.22 -0.09 0.30 0.29 -1.33 0.00 0.00 177.39 176.78 3gtg n LYS 315 N -2.39 -0.19 0.22 3.23 4.76 -1.10 -1.46 118.16 121.23 3gtg n LYS 315 Ca 0.00 0.87 0.11 0.00 -2.87 0.00 0.00 58.31 56.42 3gtg n LYS 315 Cb 0.51 -1.29 0.39 0.00 -1.84 0.00 0.00 35.03 32.81 3gtg n LYS 315 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3gtg h PRO 316 N 0.00 0.00 0.11 1.97 0.11 -1.84 -1.54 132.00 130.81 3gtg h PRO 316 Ca 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 3gtg h PRO 316 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 3gtg h PRO 316 CO -0.55 0.18 -0.05 0.00 -0.21 0.00 0.00 178.00 177.37 3gtg h VAL 318 N -0.40 0.55 0.00 0.00 2.07 -1.14 0.06 116.25 117.38 3gtg h VAL 318 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3gtg h VAL 318 Cb 0.33 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3gtg h VAL 318 CO 0.02 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.99 3gtg n GLU 319 N -5.32 0.30 -0.00 1.57 1.02 -0.88 -1.43 120.64 115.90 3gtg n GLU 319 Ca 0.01 0.09 -0.06 0.00 -0.02 0.00 0.00 57.16 57.18 3gtg n GLU 319 Cb 0.24 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.04 3gtg n GLU 319 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 3gtg h ASP 320 N 0.00 0.00 -0.38 1.62 1.82 -0.58 -3.40 116.42 115.50 3gtg h ASP 320 Ca 0.00 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.47 3gtg h ASP 320 Cb 0.07 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 39.98 3gtg h ASP 320 CO 0.00 0.86 -0.00 0.61 -1.61 0.00 0.00 179.24 179.10 3gtg n GLY 321 N 1.50 4.67 0.08 -0.78 0.00 -0.51 -4.31 105.19 105.83 3gtg n GLY 321 Ca -0.14 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 44.84 3gtg n GLY 321 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3gtg n PHE 322 N -0.99 0.66 0.31 1.61 1.16 -1.24 -2.78 117.46 116.20 3gtg n PHE 322 Ca 0.33 0.19 0.14 0.00 -1.87 0.00 0.00 57.45 56.24 3gtg n PHE 322 Cb 1.05 -0.82 0.42 0.00 -1.61 0.00 0.00 39.48 38.53 3gtg n PHE 322 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 3gtg h VAL 323 N 0.00 0.00 -3.30 1.97 2.07 -1.91 -3.42 116.25 111.66 3gtg h VAL 323 Ca 0.00 -0.67 -0.46 0.00 0.82 0.00 0.00 66.70 66.39 3gtg h VAL 323 Cb 0.66 1.64 -0.36 0.00 -1.52 0.00 0.00 31.29 31.71 3gtg h VAL 323 CO 0.00 0.00 -0.78 -0.63 0.02 0.00 0.00 177.57 176.18 3gtg s ILE 324 N -3.38 0.62 0.00 4.57 1.01 -1.12 -5.02 121.20 117.89 3gtg s ILE 324 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.62 3gtg s ILE 324 Cb 0.08 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.85 3gtg s ILE 324 CO 0.58 0.28 0.00 1.67 0.00 0.00 0.00 174.94 177.48 3gtg n GLN 325 N 4.72 2.43 -4.44 2.79 -0.06 -1.26 -4.88 117.38 116.68 3gtg n GLN 325 Ca -0.14 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.55 3gtg n GLN 325 Cb 0.50 -0.21 -0.11 0.00 -4.06 0.00 0.00 30.24 26.37 3gtg n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 3gtg s ASP 326 N -0.35 4.33 0.24 1.69 1.47 -1.26 -4.96 116.67 117.83 3gtg s ASP 326 Ca 0.00 -0.30 -0.15 0.00 1.18 0.00 0.00 52.55 53.28 3gtg s ASP 326 Cb 0.00 -0.87 0.30 0.00 -0.34 0.00 0.00 42.92 42.00 3gtg s ASP 326 CO 0.00 0.24 1.56 0.03 0.68 0.00 0.00 175.17 177.68 3gtg h ARG 327 N 4.23 -0.01 0.00 2.11 2.47 -1.98 -2.34 114.38 118.86 3gtg h ARG 327 Ca -0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 3gtg h ARG 327 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 3gtg h ARG 327 CO 0.52 -0.01 0.00 0.39 0.56 0.00 0.00 179.97 181.43 3gtg n GLU 328 N -5.52 0.00 0.00 0.04 1.02 -1.26 -3.19 120.64 111.74 3gtg n GLU 328 Ca 0.11 0.44 0.08 0.00 -0.02 0.00 0.00 57.16 57.78 3gtg n GLU 328 Cb 0.42 -1.39 0.50 0.00 -0.02 0.00 0.00 31.44 30.95 3gtg n GLU 328 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3gtg n THR 329 N -1.83 0.00 0.26 2.62 -2.24 -1.22 -1.82 114.28 110.04 3gtg n THR 329 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 3gtg n THR 329 Cb 0.00 -0.72 0.69 0.00 -2.10 0.00 0.00 70.33 68.20 3gtg n THR 329 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gtg h ALA 330 N 3.06 1.31 -0.01 6.98 0.00 -1.38 -0.98 119.26 128.25 3gtg h ALA 330 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3gtg h ALA 330 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gtg h ALA 330 CO 0.00 0.17 -0.52 1.28 0.00 0.00 0.00 179.25 180.17 3gtg n LEU 331 N -3.69 1.16 -0.05 0.00 4.32 -0.76 -4.32 117.00 113.67 3gtg n LEU 331 Ca -0.02 -0.38 -0.12 0.00 -0.02 0.00 0.00 56.01 55.47 3gtg n LEU 331 Cb 0.25 -0.09 -0.06 0.00 -1.62 0.00 0.00 43.42 41.89 3gtg n LEU 331 CO 0.31 0.24 0.72 -0.78 -1.22 0.00 0.00 177.39 176.65 3gtg h ASP 332 N 1.00 0.26 -0.33 -1.43 1.82 -1.28 -3.12 116.42 113.34 3gtg h ASP 332 Ca 0.00 -0.34 0.04 0.00 -0.39 0.00 0.00 57.03 56.34 3gtg h ASP 332 Cb 0.57 -0.07 -0.04 0.00 0.68 0.00 0.00 39.33 40.47 3gtg h ASP 332 CO 0.00 0.55 0.10 0.15 -1.61 0.00 0.00 179.24 178.42 3gtg h PHE 333 N -0.02 0.17 0.00 0.28 3.57 -1.75 0.23 116.94 119.42 3gtg h PHE 333 Ca 0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3gtg h PHE 333 Cb 0.42 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3gtg h PHE 333 CO 0.04 0.06 0.00 -0.89 -2.23 0.00 0.00 178.31 175.30 3gtg n ILE 334 N -5.05 0.00 0.01 1.41 -0.00 -1.19 -2.66 119.36 111.89 3gtg n ILE 334 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 62.75 62.67 3gtg n ILE 334 Cb 0.13 -0.88 -0.13 0.00 -0.00 0.00 0.00 39.64 38.76 3gtg n ILE 334 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 3gtg h GLY 335 N 0.00 0.01 -7.46 7.39 0.00 -0.48 -3.45 103.07 99.07 3gtg h GLY 335 Ca 0.00 -0.04 -0.50 0.00 0.00 0.00 0.00 47.33 46.79 3gtg h GLY 335 CO 0.00 0.03 1.30 -1.60 0.00 0.00 0.00 176.54 176.27 3gtg s ARG 336 N -2.64 2.71 0.00 4.80 3.52 -1.09 -4.45 118.95 121.80 3gtg s ARG 336 Ca -0.03 0.46 0.00 0.00 -0.13 0.00 0.00 55.73 56.04 3gtg s ARG 336 Cb 0.09 -4.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.10 3gtg s ARG 336 CO 0.82 -2.66 0.00 2.89 -0.81 0.00 0.00 175.30 175.54 3gtg n ARG 337 N 9.21 0.00 0.00 5.12 -4.01 -1.26 -4.17 116.66 121.55 3gtg n ARG 337 Ca 0.18 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.99 3gtg n ARG 337 Cb 0.52 -0.26 0.00 0.00 -3.04 0.00 0.00 32.46 29.67 3gtg n ARG 337 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3gtg n GLY 338 N 0.00 1.64 2.82 2.89 0.00 -1.26 -4.85 105.19 106.43 3gtg n GLY 338 Ca 0.00 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 3gtg n GLY 338 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gtg s THR 339 N 0.73 0.74 0.47 2.61 -4.23 -1.26 -4.97 115.64 109.72 3gtg s THR 339 Ca 0.00 -0.32 0.40 0.00 -1.18 0.00 0.00 61.69 60.59 3gtg s THR 339 Cb 0.00 -0.95 0.42 0.00 1.34 0.00 0.00 72.50 73.30 3gtg s THR 339 CO 0.00 0.13 2.23 0.00 -0.54 0.00 0.00 174.62 176.44 3gtg h ALA 340 N 8.22 1.03 -1.09 3.99 0.00 -1.90 -3.46 119.26 126.04 3gtg h ALA 340 Ca -0.22 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.27 3gtg h ALA 340 Cb 1.12 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 3gtg h ALA 340 CO 0.34 0.01 -0.39 1.28 0.00 0.00 0.00 179.25 180.50 3gtg n LEU 341 N -3.14 -1.50 0.00 0.00 4.77 -1.26 -2.18 117.00 113.69 3gtg n LEU 341 Ca -0.02 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3gtg n LEU 341 Cb 0.16 -2.80 0.00 0.00 -2.33 0.00 0.00 43.42 38.45 3gtg n LEU 341 CO 0.23 -1.00 0.00 0.61 -1.33 0.00 0.00 177.39 175.90 3gtg n GLY 342 N -0.52 2.83 0.35 -0.72 0.00 -1.26 -4.87 105.19 101.00 3gtg n GLY 342 Ca -0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.89 3gtg n GLY 342 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gtg h ILE 343 N 0.00 1.01 -3.45 -0.61 2.04 -1.84 -3.31 117.51 111.34 3gtg h ILE 343 Ca 0.00 -0.23 -0.66 0.00 1.00 0.00 0.00 64.86 64.97 3gtg h ILE 343 Cb 0.00 0.27 -0.39 0.00 -0.74 0.00 0.00 36.82 35.96 3gtg h ILE 343 CO 0.00 0.12 -0.52 -0.54 0.00 0.00 0.00 178.15 177.21 3gtg s LYS 344 N -5.61 2.23 -0.24 2.37 1.02 -1.24 -4.86 119.74 113.41 3gtg s LYS 344 Ca -0.09 -2.61 -0.03 0.00 0.02 0.00 0.00 55.97 53.26 3gtg s LYS 344 Cb 0.19 -3.49 -0.14 0.00 -0.52 0.00 0.00 37.83 33.88 3gtg s LYS 344 CO 0.76 -1.14 -0.24 1.17 -0.92 0.00 0.00 175.35 174.98 3gtg n LYS 345 N 3.22 0.56 0.10 1.68 0.00 -1.25 -3.86 118.16 118.61 3gtg n LYS 345 Ca 0.06 0.17 -0.19 0.00 0.00 0.00 0.00 58.31 58.35 3gtg n LYS 345 Cb 0.34 -1.43 -0.15 0.00 0.00 0.00 0.00 35.03 33.79 3gtg n LYS 345 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3gtg h GLU 346 N -0.31 0.34 0.00 1.64 3.07 -1.92 -3.37 114.58 114.02 3gtg h GLU 346 Ca -0.56 -0.58 0.00 0.00 -0.50 0.00 0.00 59.36 57.73 3gtg h GLU 346 Cb 1.71 0.21 0.00 0.00 -0.84 0.00 0.00 28.75 29.84 3gtg h GLU 346 CO -0.19 1.24 0.00 0.87 -1.40 0.00 0.00 179.01 179.54 3gtg h LYS 347 N 0.09 0.00 0.00 2.33 1.57 -1.91 -2.20 116.57 116.46 3gtg h LYS 347 Ca -0.23 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 3gtg h LYS 347 Cb 2.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.34 3gtg h LYS 347 CO 0.20 0.00 -0.50 0.07 -0.57 0.00 0.00 179.45 178.65 3gtg h ARG 348 N 0.00 0.00 0.37 3.15 0.11 -1.73 -0.38 114.38 115.90 3gtg h ARG 348 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 3gtg h ARG 348 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 3gtg h ARG 348 CO 0.00 0.50 -0.18 0.82 0.10 0.00 0.00 179.97 181.22 3gtg h ILE 349 N 0.00 0.59 0.00 0.08 5.03 -1.59 0.30 117.51 121.92 3gtg h ILE 349 Ca -0.01 -0.51 0.00 0.00 -0.12 0.00 0.00 64.86 64.23 3gtg h ILE 349 Cb 1.17 0.83 0.00 0.00 -3.03 0.00 0.00 36.82 35.79 3gtg h ILE 349 CO 0.07 0.09 0.00 0.00 -0.68 0.00 0.00 178.15 177.62 3gtg n GLN 350 N -5.18 0.03 -0.11 2.37 1.13 -0.91 0.29 117.38 115.00 3gtg n GLN 350 Ca -0.10 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.75 3gtg n GLN 350 Cb 0.28 -1.34 -0.08 0.00 0.11 0.00 0.00 30.24 29.21 3gtg n GLN 350 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 3gtg n TYR 351 N -0.84 0.00 0.24 1.08 4.19 -0.17 -4.53 117.16 117.13 3gtg n TYR 351 Ca 0.00 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.33 3gtg n TYR 351 Cb 0.00 -0.78 0.55 0.00 0.49 0.00 0.00 39.34 39.61 3gtg n TYR 351 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3gtg h ALA 352 N -0.59 1.09 -0.19 2.98 0.00 0.39 -2.69 119.26 120.25 3gtg h ALA 352 Ca -0.53 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 3gtg h ALA 352 Cb 1.53 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 3gtg h ALA 352 CO -0.27 0.23 -0.14 -0.22 0.00 0.00 0.00 179.25 178.85 3gtg h LYS 353 N 0.00 0.44 -0.01 0.00 3.11 0.42 -3.16 116.57 117.37 3gtg h LYS 353 Ca -0.00 -0.21 0.00 0.00 -2.81 0.00 0.00 60.65 57.63 3gtg h LYS 353 Cb 0.62 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.85 3gtg h LYS 353 CO 0.02 0.76 -0.54 -0.40 -2.81 0.00 0.00 179.45 176.49 3gtg n ASP 354 N -4.51 1.18 0.16 4.20 5.68 -1.22 -3.33 116.55 118.70 3gtg n ASP 354 Ca -0.05 -0.95 0.01 0.00 -0.50 0.00 0.00 54.79 53.30 3gtg n ASP 354 Cb 0.36 0.45 0.27 0.00 -1.14 0.00 0.00 41.12 41.06 3gtg n ASP 354 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 3gtg h ILE 355 N 1.00 1.35 -0.51 2.12 2.04 -1.52 0.39 117.51 122.37 3gtg h ILE 355 Ca 0.00 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.18 3gtg h ILE 355 Cb 0.57 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 3gtg h ILE 355 CO 0.00 0.48 0.00 0.18 0.00 0.00 0.00 178.15 178.81 3gtg n LEU 356 N -3.96 5.18 -0.07 1.44 4.77 -1.19 -1.80 117.00 121.36 3gtg n LEU 356 Ca -0.02 -2.63 -0.12 0.00 -0.03 0.00 0.00 56.01 53.22 3gtg n LEU 356 Cb 0.51 -0.66 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 3gtg n LEU 356 CO 0.40 0.59 -0.95 0.00 -1.33 0.00 0.00 177.39 176.11 3gtg n GLN 357 N 0.57 0.30 0.00 3.23 6.02 -0.62 -4.90 117.38 121.98 3gtg n GLN 357 Ca 0.25 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 3gtg n GLN 357 Cb 1.08 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 31.25 3gtg n GLN 357 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3gtg n LYS 358 N -3.31 0.00 -0.00 -1.09 5.02 0.13 -4.45 118.16 114.46 3gtg n LYS 358 Ca -0.25 0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.06 3gtg n LYS 358 Cb 0.71 -0.53 0.08 0.00 -0.02 0.00 0.00 35.03 35.28 3gtg n LYS 358 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3gtg h GLU 359 N 0.00 0.56 -6.45 1.97 4.39 -1.69 -3.24 114.58 110.12 3gtg h GLU 359 Ca 0.00 -0.31 -0.57 0.00 0.34 0.00 0.00 59.36 58.82 3gtg h GLU 359 Cb 0.00 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.61 3gtg h GLU 359 CO 0.00 0.91 0.94 0.12 -1.16 0.00 0.00 179.01 179.82 3gtg s PHE 360 N -4.13 2.80 -1.07 4.33 5.36 -0.75 -4.20 117.98 120.31 3gtg s PHE 360 Ca -0.07 0.89 -0.19 0.00 -0.96 0.00 0.00 56.93 56.60 3gtg s PHE 360 Cb 0.12 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.77 3gtg s PHE 360 CO 0.83 -1.40 0.74 1.28 -1.46 0.00 0.00 175.22 175.21 3gtg n LEU 361 N 7.65 -2.57 -0.16 6.12 4.32 -1.26 -4.75 117.00 126.35 3gtg n LEU 361 Ca 0.14 -0.98 0.26 0.00 -0.02 0.00 0.00 56.01 55.40 3gtg n LEU 361 Cb 0.47 -2.22 0.69 0.00 -1.62 0.00 0.00 43.42 40.74 3gtg n LEU 361 CO 0.65 0.39 1.24 -0.65 -1.22 0.00 0.00 177.39 177.80 3gtg h PRO 362 N -1.60 0.05 0.00 3.23 0.11 -1.72 -3.40 132.00 128.67 3gtg h PRO 362 Ca -0.61 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.36 3gtg h PRO 362 Cb 1.34 -0.01 0.05 0.00 0.11 0.00 0.00 31.00 32.50 3gtg h PRO 362 CO 0.46 0.04 0.12 -2.39 -0.21 0.00 0.00 178.00 176.01 3gtg n HIS 363 N -4.32 -3.96 0.00 0.65 1.44 -1.26 -3.53 115.22 104.24 3gtg n HIS 363 Ca 0.17 -0.35 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 3gtg n HIS 363 Cb 0.86 -0.31 0.00 0.00 0.12 0.00 0.00 29.99 30.66 3gtg n HIS 363 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3gtg n ILE 364 N -2.59 0.00 0.00 0.61 2.08 -1.26 -4.62 119.36 113.57 3gtg n ILE 364 Ca 0.05 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.36 3gtg n ILE 364 Cb 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.07 3gtg n ILE 364 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 3gtg n THR 365 N 0.00 0.00 -0.56 1.39 5.66 -1.25 -5.02 114.28 114.49 3gtg n THR 365 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 3gtg n THR 365 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 3gtg n THR 365 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 3gtg n GLN 366 N -0.99 1.72 -0.47 1.09 7.27 -1.23 -4.53 117.38 120.24 3gtg n GLN 366 Ca 0.00 -1.33 -0.10 0.00 0.07 0.00 0.00 57.00 55.64 3gtg n GLN 366 Cb 0.00 -0.89 0.08 0.00 2.41 0.00 0.00 30.24 31.84 3gtg n GLN 366 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3gtg n LEU 367 N -0.45 0.00 -0.01 1.69 4.77 -1.26 -4.60 117.00 117.14 3gtg n LEU 367 Ca 0.02 -0.44 -0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3gtg n LEU 367 Cb 0.40 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3gtg n LEU 367 CO 0.00 -1.22 0.01 -0.08 -1.33 0.00 0.00 177.39 174.77 3gtg h GLU 368 N 0.00 -0.01 -1.69 3.23 4.81 -1.98 -3.42 114.58 115.52 3gtg h GLU 368 Ca -0.15 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.94 3gtg h GLU 368 Cb 0.43 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 3gtg h GLU 368 CO 0.10 -0.01 0.18 0.41 -0.73 0.00 0.00 179.01 178.96 3gtg n GLY 369 N 1.86 3.13 3.13 1.92 0.00 -1.26 -4.78 105.19 109.19 3gtg n GLY 369 Ca -0.00 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 3gtg n GLY 369 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gtg s PHE 370 N -0.80 2.62 0.00 1.61 0.40 -1.26 -4.94 117.98 115.61 3gtg s PHE 370 Ca 0.14 -1.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.04 3gtg s PHE 370 Cb 0.11 -1.81 0.00 0.00 0.51 0.00 0.00 43.02 41.83 3gtg s PHE 370 CO 0.00 -0.69 0.00 0.39 0.70 0.00 0.00 175.22 175.62 3gtg n GLU 371 N 4.36 0.31 0.02 0.44 4.71 -1.26 -4.79 120.64 124.43 3gtg n GLU 371 Ca -0.20 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.07 3gtg n GLU 371 Cb 0.51 -0.62 0.50 0.00 -1.01 0.00 0.00 31.44 30.82 3gtg n GLU 371 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3gtg n SER 372 N -1.47 0.16 0.00 1.62 3.41 -1.26 -1.48 113.62 114.61 3gtg n SER 372 Ca 0.00 0.52 -0.17 0.00 -0.26 0.00 0.00 58.87 58.96 3gtg n SER 372 Cb 0.12 -0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 63.41 3gtg n SER 372 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gtg h ARG 373 N 0.00 0.47 0.00 4.33 2.47 -1.92 -3.28 114.38 116.45 3gtg h ARG 373 Ca 0.00 -0.47 -0.09 0.00 -1.26 0.00 0.00 59.98 58.15 3gtg h ARG 373 Cb 0.46 0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 3gtg h ARG 373 CO 0.00 1.12 -0.60 0.87 0.56 0.00 0.00 179.97 181.91 3gtg h LYS 374 N -0.00 0.00 0.20 0.04 1.57 -1.80 -3.24 116.57 113.33 3gtg h LYS 374 Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3gtg h LYS 374 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3gtg h LYS 374 CO 0.13 0.37 -0.09 0.00 -0.57 0.00 0.00 179.45 179.28 3gtg h ALA 375 N 1.58 -0.55 -1.45 3.86 0.00 -1.41 -1.20 119.26 120.10 3gtg h ALA 375 Ca -0.03 -0.06 0.46 0.00 0.00 0.00 0.00 54.91 55.28 3gtg h ALA 375 Cb 1.34 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 19.12 3gtg h ALA 375 CO 0.05 -0.53 0.98 0.74 0.00 0.00 0.00 179.25 180.49 3gtg h PHE 376 N -0.47 0.36 0.10 0.00 -1.00 -1.70 1.57 116.94 115.80 3gtg h PHE 376 Ca -0.03 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 3gtg h PHE 376 Cb 0.20 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.67 3gtg h PHE 376 CO 0.07 -0.14 -0.05 0.35 -1.61 0.00 0.00 178.31 176.93 3gtg h PHE 377 N 0.07 -0.13 -0.15 -0.55 3.57 -1.61 0.61 116.94 118.75 3gtg h PHE 377 Ca 0.82 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 62.36 3gtg h PHE 377 Cb 2.80 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 41.58 3gtg h PHE 377 CO -0.00 0.36 0.17 1.25 -2.23 0.00 0.00 178.31 177.86 3gtg h LEU 378 N -0.89 0.00 0.00 0.59 5.85 0.76 2.36 115.31 123.97 3gtg h LEU 378 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3gtg h LEU 378 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3gtg h LEU 378 CO 0.02 0.00 -0.05 0.61 -0.34 0.00 0.00 178.44 178.68 3gtg n GLY 379 N -1.39 -1.53 0.08 3.75 0.00 0.50 -2.98 105.19 103.62 3gtg n GLY 379 Ca 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 3gtg n GLY 379 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gtg n TYR 380 N -1.68 0.48 -0.14 1.61 9.36 0.76 -3.33 117.16 124.21 3gtg n TYR 380 Ca 0.06 0.16 -0.05 0.00 3.32 0.00 0.00 57.90 61.40 3gtg n TYR 380 Cb 0.36 -0.94 0.14 0.00 -0.63 0.00 0.00 39.34 38.27 3gtg n TYR 380 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 3gtg h MET 381 N 0.00 0.87 -0.21 2.98 2.86 -0.43 -3.06 114.93 117.94 3gtg h MET 381 Ca -0.25 -0.22 -0.16 0.00 -2.06 0.00 0.00 59.70 57.00 3gtg h MET 381 Cb 1.68 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.24 3gtg h MET 381 CO 0.03 0.84 -0.50 0.82 1.06 0.00 0.00 176.91 179.16 3gtg h ILE 382 N 0.82 1.31 -0.16 -1.22 1.08 -1.67 -1.94 117.51 115.73 3gtg h ILE 382 Ca 0.16 -1.72 0.02 0.00 -0.39 0.00 0.00 64.86 62.93 3gtg h ILE 382 Cb 0.42 1.83 -0.01 0.00 -3.07 0.00 0.00 36.82 36.00 3gtg h ILE 382 CO 0.01 0.54 0.11 -1.13 -0.69 0.00 0.00 178.15 176.99 3gtg h ASN 383 N 0.43 0.11 0.17 1.72 -1.24 -1.56 -1.65 115.58 113.56 3gtg h ASN 383 Ca -0.00 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 3gtg h ASN 383 Cb 1.12 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.14 3gtg h ASN 383 CO 0.11 0.08 -0.08 0.03 -1.29 0.00 0.00 177.43 176.28 3gtg h ARG 384 N 0.13 -0.22 -0.92 6.67 2.47 -1.47 -1.42 114.38 119.61 3gtg h ARG 384 Ca 0.07 0.01 0.11 0.00 -1.26 0.00 0.00 59.98 58.91 3gtg h ARG 384 Cb 0.11 0.05 -0.13 0.00 -1.65 0.00 0.00 29.97 28.34 3gtg h ARG 384 CO -0.01 0.09 -0.50 1.25 0.56 0.00 0.00 179.97 181.37 3gtg h LEU 385 N -0.98 -1.80 -0.05 3.04 5.85 -1.03 0.14 115.31 120.47 3gtg h LEU 385 Ca -0.02 0.31 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 3gtg h LEU 385 Cb 0.41 0.84 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 3gtg h LEU 385 CO 0.04 -0.27 0.01 -0.07 -0.34 0.00 0.00 178.44 177.81 3gtg h LEU 386 N -0.05 0.09 0.00 2.25 3.38 -1.45 -2.83 115.31 116.71 3gtg h LEU 386 Ca 0.23 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gtg h LEU 386 Cb 0.51 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3gtg h LEU 386 CO -0.91 0.32 0.00 -0.11 0.09 0.00 0.00 178.44 177.83 3gtg n LEU 387 N -4.91 0.00 -0.07 1.67 7.94 -0.03 0.18 117.00 121.79 3gtg n LEU 387 Ca -0.07 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.68 3gtg n LEU 387 Cb 0.16 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.05 3gtg n LEU 387 CO 0.34 0.00 -1.00 0.00 -1.11 0.00 0.00 177.39 175.62 3gtg h ALA 389 N -0.44 1.64 0.00 0.00 0.00 -0.09 1.51 119.26 121.87 3gtg h ALA 389 Ca -0.36 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3gtg h ALA 389 Cb 1.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3gtg h ALA 389 CO -0.20 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.47 3gtg n LEU 390 N -4.58 0.04 -2.64 0.00 4.77 -0.98 -4.90 117.00 108.71 3gtg n LEU 390 Ca 0.18 0.51 -0.10 0.00 -0.03 0.00 0.00 56.01 56.57 3gtg n LEU 390 Cb 0.37 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 41.00 3gtg n LEU 390 CO 0.29 -0.30 0.02 0.47 -1.33 0.00 0.00 177.39 176.54 3gtg n ASP 391 N -1.54 -4.97 -0.03 -1.43 9.92 0.51 -4.99 116.55 114.03 3gtg n ASP 391 Ca 0.03 -0.46 0.00 0.00 -0.53 0.00 0.00 54.79 53.83 3gtg n ASP 391 Cb 0.15 -3.57 -0.08 0.00 -0.64 0.00 0.00 41.12 36.99 3gtg n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3gtg n ARG 392 N -2.63 1.37 -3.82 -1.24 1.74 -1.25 -5.01 116.66 105.82 3gtg n ARG 392 Ca -0.05 -0.05 -0.12 0.00 -0.77 0.00 0.00 57.85 56.86 3gtg n ARG 392 Cb 0.58 -1.25 -0.10 0.00 -1.02 0.00 0.00 32.46 30.67 3gtg n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3gtg s LYS 393 N -2.48 0.50 1.18 5.56 -0.14 -1.16 -5.05 119.74 118.14 3gtg s LYS 393 Ca -0.04 -0.20 -0.13 0.00 -1.36 0.00 0.00 55.97 54.24 3gtg s LYS 393 Cb 0.05 0.22 0.29 0.00 -1.68 0.00 0.00 37.83 36.70 3gtg s LYS 393 CO 0.41 -0.12 1.02 -0.51 -0.76 0.00 0.00 175.35 175.40 3gtg s ASP 394 N -1.07 0.87 0.61 2.83 1.01 -1.26 -4.50 116.67 115.15 3gtg s ASP 394 Ca -0.11 1.46 -0.18 0.00 0.71 0.00 0.00 52.55 54.42 3gtg s ASP 394 Cb -0.06 -2.26 -0.03 0.00 1.01 0.00 0.00 42.92 41.58 3gtg s ASP 394 CO 0.02 -4.26 1.20 -1.58 0.21 0.00 0.00 175.17 170.76 3gtg s GLN 395 N -4.47 2.91 -0.01 8.23 0.74 -1.26 -4.97 119.66 120.83 3gtg s GLN 395 Ca 0.68 1.80 -0.30 0.00 0.05 0.00 0.00 55.36 57.60 3gtg s GLN 395 Cb -0.25 -1.92 -0.04 0.00 1.10 0.00 0.00 33.01 31.90 3gtg s GLN 395 CO 0.65 -1.25 1.08 0.34 -0.55 0.00 0.00 175.29 175.55 3gtg s ASP 396 N -1.66 7.22 0.60 6.67 -1.08 0.08 -5.02 116.67 123.48 3gtg s ASP 396 Ca 0.77 1.77 -0.16 0.00 -0.52 0.00 0.00 52.55 54.40 3gtg s ASP 396 Cb -0.30 -2.57 -0.03 0.00 -1.46 0.00 0.00 42.92 38.56 3gtg s ASP 396 CO 0.34 -0.40 1.08 -0.62 0.52 0.00 0.00 175.17 176.09 3gtg s ASP 397 N 1.11 5.62 0.00 -0.34 -1.08 -1.26 -4.84 116.67 115.88 3gtg s ASP 397 Ca 0.54 1.92 0.00 0.00 -0.52 0.00 0.00 52.55 54.49 3gtg s ASP 397 Cb -0.24 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.68 3gtg s ASP 397 CO 0.26 -1.28 0.00 0.54 0.52 0.00 0.00 175.17 175.21 3gtg n ARG 398 N -1.98 4.07 -0.14 4.34 1.74 -1.26 -4.50 116.66 118.93 3gtg n ARG 398 Ca 0.10 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.30 3gtg n ARG 398 Cb 0.52 -0.40 0.19 0.00 -1.02 0.00 0.00 32.46 31.75 3gtg n ARG 398 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3gtg n ASP 399 N -0.68 3.36 -4.73 0.55 8.00 -1.26 -4.91 116.55 116.88 3gtg n ASP 399 Ca 0.00 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.08 3gtg n ASP 399 Cb 0.00 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 3gtg n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3gtg s HIS 400 N -1.63 2.99 -0.03 1.24 2.46 -1.26 -4.87 115.29 114.19 3gtg s HIS 400 Ca 0.36 0.75 -0.21 0.00 0.47 0.00 0.00 55.06 56.43 3gtg s HIS 400 Cb 0.22 -3.94 -0.30 0.00 -0.13 0.00 0.00 32.58 28.44 3gtg s HIS 400 CO 0.31 -3.30 0.96 0.35 -2.47 0.00 0.00 174.74 170.59 3gtg h PHE 401 N 5.96 0.61 0.00 3.88 3.57 -1.92 -3.25 116.94 125.79 3gtg h PHE 401 Ca -0.44 -0.41 0.00 0.00 3.53 0.00 0.00 57.97 60.65 3gtg h PHE 401 Cb 1.21 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3gtg h PHE 401 CO 0.62 1.29 0.00 0.41 -2.23 0.00 0.00 178.31 178.40 3gtg n GLY 402 N 1.51 -0.68 1.45 2.40 0.00 -1.26 -1.51 105.19 107.09 3gtg n GLY 402 Ca -0.13 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 3gtg n GLY 402 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gtg n LYS 403 N -1.33 2.01 -4.29 1.61 5.02 -1.23 -4.57 118.16 115.39 3gtg n LYS 403 Ca 0.04 -3.22 -0.15 0.00 -2.02 0.00 0.00 58.31 52.97 3gtg n LYS 403 Cb 0.09 -1.92 -0.10 0.00 -0.02 0.00 0.00 35.03 33.08 3gtg n LYS 403 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3gtg s LYS 404 N -3.31 1.32 0.43 1.97 -2.85 -0.57 -2.54 119.74 114.19 3gtg s LYS 404 Ca 0.48 -1.70 0.03 0.00 -1.00 0.00 0.00 55.97 53.79 3gtg s LYS 404 Cb 0.43 -0.21 -0.02 0.00 -2.06 0.00 0.00 37.83 35.96 3gtg s LYS 404 CO 0.02 -0.27 0.10 1.03 0.10 0.00 0.00 175.35 176.33 3gtg s ARG 405 N -4.02 2.00 -0.15 1.78 1.81 0.15 -4.60 118.95 115.93 3gtg s ARG 405 Ca 0.35 -2.23 -0.01 0.00 -1.72 0.00 0.00 55.73 52.11 3gtg s ARG 405 Cb 0.07 -0.85 0.04 0.00 -0.45 0.00 0.00 34.95 33.77 3gtg s ARG 405 CO 0.11 -0.45 -0.02 -0.51 -0.68 0.00 0.00 175.30 173.75 3gtg s LEU 406 N -3.67 1.25 -1.19 2.53 1.43 -1.17 -3.11 118.68 114.75 3gtg s LEU 406 Ca 0.20 -0.54 -0.20 0.00 -1.03 0.00 0.00 54.13 52.56 3gtg s LEU 406 Cb 0.02 -0.73 0.03 0.00 0.03 0.00 0.00 46.19 45.55 3gtg s LEU 406 CO 0.12 -0.21 1.71 -1.81 0.23 0.00 0.00 176.35 176.39 3gtg s ASP 407 N 1.77 6.36 1.20 2.29 1.01 0.11 -4.52 116.67 124.88 3gtg s ASP 407 Ca 0.02 -1.97 -0.19 0.00 0.71 0.00 0.00 52.55 51.12 3gtg s ASP 407 Cb -0.15 -2.58 0.29 0.00 1.01 0.00 0.00 42.92 41.49 3gtg s ASP 407 CO -0.07 -1.66 1.13 -0.76 0.21 0.00 0.00 175.17 174.02 3gtg s LEU 408 N 5.88 0.82 0.34 1.23 2.01 -1.26 -1.56 118.68 126.13 3gtg s LEU 408 Ca 0.55 0.55 0.11 0.00 0.01 0.00 0.00 54.13 55.35 3gtg s LEU 408 Cb 0.02 -2.28 0.89 0.00 0.01 0.00 0.00 46.19 44.83 3gtg s LEU 408 CO 0.04 -4.08 1.76 0.00 1.01 0.00 0.00 176.35 175.09 3gtg h ALA 409 N -2.55 1.87 -0.93 4.21 0.00 -1.90 -2.45 119.26 117.51 3gtg h ALA 409 Ca -0.44 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3gtg h ALA 409 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3gtg h ALA 409 CO 0.32 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3gtg n GLY 410 N -1.36 -2.74 0.32 0.00 0.00 -1.26 -1.42 105.19 98.72 3gtg n GLY 410 Ca 0.25 0.13 0.19 0.00 0.00 0.00 0.00 46.02 46.59 3gtg n GLY 410 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gtg h PRO 411 N 0.00 0.00 0.53 1.61 0.11 -1.86 1.00 132.00 133.38 3gtg h PRO 411 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3gtg h PRO 411 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3gtg h PRO 411 CO 0.00 0.00 -0.36 -0.07 -0.21 0.00 0.00 178.00 177.37 3gtg h LEU 412 N 0.00 -0.91 -0.76 2.35 3.38 -1.36 -0.16 115.31 117.85 3gtg h LEU 412 Ca -0.00 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.10 3gtg h LEU 412 Cb 0.01 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3gtg h LEU 412 CO 0.00 -0.54 0.44 -0.07 0.09 0.00 0.00 178.44 178.36 3gtg h LEU 413 N -0.85 0.66 0.52 1.67 3.38 0.35 -2.29 115.31 118.76 3gtg h LEU 413 Ca -0.06 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3gtg h LEU 413 Cb 0.71 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3gtg h LEU 413 CO 0.04 0.42 -0.51 0.00 0.09 0.00 0.00 178.44 178.47 3gtg h ALA 414 N 1.39 -1.16 0.00 1.53 0.00 -1.14 2.54 119.26 122.43 3gtg h ALA 414 Ca 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gtg h ALA 414 Cb 0.22 0.73 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3gtg h ALA 414 CO -0.19 -1.19 0.13 0.94 0.00 0.00 0.00 179.25 178.94 3gtg n GLN 415 N -5.57 0.00 -0.08 0.00 7.27 -0.08 -0.39 117.38 118.52 3gtg n GLN 415 Ca -0.12 0.36 -0.17 0.00 0.07 0.00 0.00 57.00 57.14 3gtg n GLN 415 Cb 0.47 -1.63 -0.06 0.00 2.41 0.00 0.00 30.24 31.43 3gtg n GLN 415 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 3gtg n LEU 416 N -1.36 1.14 -0.12 1.69 7.94 -0.51 -4.44 117.00 121.34 3gtg n LEU 416 Ca 0.00 0.20 -0.11 0.00 -1.11 0.00 0.00 56.01 54.99 3gtg n LEU 416 Cb 0.13 -0.47 -0.02 0.00 0.53 0.00 0.00 43.42 43.59 3gtg n LEU 416 CO 0.00 0.30 0.79 0.15 -1.11 0.00 0.00 177.39 177.53 3gtg h PHE 417 N -0.57 0.63 -0.64 1.96 3.57 0.67 -1.05 116.94 121.51 3gtg h PHE 417 Ca -0.39 -0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.07 3gtg h PHE 417 Cb 1.33 -0.17 -0.09 0.00 2.79 0.00 0.00 35.95 39.81 3gtg h PHE 417 CO -0.06 0.68 -0.52 -0.22 -2.23 0.00 0.00 178.31 175.96 3gtg h LYS 418 N 0.40 -0.17 -0.51 1.11 3.64 -0.92 0.65 116.57 120.76 3gtg h LYS 418 Ca 0.10 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.59 3gtg h LYS 418 Cb 0.42 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.18 3gtg h LYS 418 CO 0.01 -0.12 -0.11 1.15 -2.27 0.00 0.00 179.45 178.12 3gtg h THR 419 N -0.18 0.50 -0.12 1.00 2.02 -1.60 -0.28 112.91 114.25 3gtg h THR 419 Ca 0.11 -0.01 -0.09 0.00 0.77 0.00 0.00 66.41 67.19 3gtg h THR 419 Cb 0.46 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3gtg h THR 419 CO -0.70 0.00 -0.29 -0.07 0.37 0.00 0.00 175.52 174.83 3gtg h LEU 420 N 0.02 0.46 -0.08 2.58 3.38 -0.16 -1.53 115.31 119.97 3gtg h LEU 420 Ca 0.25 -0.58 0.04 0.00 0.09 0.00 0.00 57.88 57.68 3gtg h LEU 420 Cb 0.38 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3gtg h LEU 420 CO -0.51 0.96 -0.18 0.15 0.09 0.00 0.00 178.44 178.95 3gtg h PHE 421 N -0.02 -0.46 -0.94 1.13 3.57 0.52 0.22 116.94 120.97 3gtg h PHE 421 Ca -0.00 0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.71 3gtg h PHE 421 Cb 0.90 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.77 3gtg h PHE 421 CO 0.11 -0.25 0.60 0.87 -2.23 0.00 0.00 178.31 177.41 3gtg h LYS 422 N -0.25 0.53 -0.23 1.11 1.57 -1.04 0.41 116.57 118.68 3gtg h LYS 422 Ca 0.08 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.64 3gtg h LYS 422 Cb 0.36 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3gtg h LYS 422 CO -0.23 0.35 -0.62 -0.22 -0.57 0.00 0.00 179.45 178.17 3gtg h LYS 423 N 0.55 0.79 -0.33 3.15 3.64 0.01 -2.43 116.57 121.94 3gtg h LYS 423 Ca 0.50 -0.54 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3gtg h LYS 423 Cb 1.05 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 3gtg h LYS 423 CO -0.24 1.17 0.06 1.25 -2.27 0.00 0.00 179.45 179.41 3gtg h LEU 424 N 0.59 0.44 -0.68 5.20 5.85 0.80 -3.13 115.31 124.38 3gtg h LEU 424 Ca -0.01 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3gtg h LEU 424 Cb 1.22 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3gtg h LEU 424 CO 0.13 0.47 0.38 0.00 -0.34 0.00 0.00 178.44 179.07 3gtg h THR 425 N 0.47 1.21 -0.38 1.05 1.03 0.25 -1.29 112.91 115.25 3gtg h THR 425 Ca 0.11 -0.53 0.00 0.00 -0.01 0.00 0.00 66.41 65.98 3gtg h THR 425 Cb 0.22 0.32 0.00 0.00 -1.07 0.00 0.00 68.15 67.61 3gtg h THR 425 CO -0.00 0.23 0.00 2.29 -0.01 0.00 0.00 175.52 178.03 3gtg n LYS 426 N -4.51 2.60 0.04 0.00 2.85 -1.12 -3.07 118.16 114.95 3gtg n LYS 426 Ca 0.05 -1.68 -0.01 0.00 -1.05 0.00 0.00 58.31 55.63 3gtg n LYS 426 Cb 0.09 -1.63 -0.08 0.00 -0.65 0.00 0.00 35.03 32.76 3gtg n LYS 426 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3gtg h ASP 427 N 2.41 0.00 0.02 -5.58 3.32 -1.18 -3.18 116.42 112.23 3gtg h ASP 427 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3gtg h ASP 427 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3gtg h ASP 427 CO 0.14 0.63 -0.15 0.40 -1.72 0.00 0.00 179.24 178.54 3gtg h ILE 428 N 0.00 1.70 -0.73 0.35 1.08 -1.46 -2.71 117.51 115.74 3gtg h ILE 428 Ca -0.15 -2.24 0.15 0.00 -0.39 0.00 0.00 64.86 62.23 3gtg h ILE 428 Cb 1.62 3.20 -0.14 0.00 -3.07 0.00 0.00 36.82 38.43 3gtg h ILE 428 CO 0.05 0.59 -0.16 0.15 -0.69 0.00 0.00 178.15 178.10 3gtg h PHE 429 N -0.81 -0.35 0.00 1.37 3.57 -1.73 0.20 116.94 119.20 3gtg h PHE 429 Ca -0.02 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3gtg h PHE 429 Cb 1.06 0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.06 3gtg h PHE 429 CO 0.24 -0.30 0.00 0.54 -2.23 0.00 0.00 178.31 176.56 3gtg n ARG 430 N -5.47 0.15 0.02 1.11 1.74 -1.20 -1.87 116.66 111.14 3gtg n ARG 430 Ca 0.10 0.37 0.05 0.00 -0.77 0.00 0.00 57.85 57.60 3gtg n ARG 430 Cb 0.38 -1.78 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 3gtg n ARG 430 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3gtg n TYR 431 N -2.06 0.51 -0.02 -1.55 9.36 0.45 -4.48 117.16 119.37 3gtg n TYR 431 Ca 0.03 0.16 -0.16 0.00 3.32 0.00 0.00 57.90 61.25 3gtg n TYR 431 Cb 0.22 -0.85 -0.09 0.00 -0.63 0.00 0.00 39.34 37.99 3gtg n TYR 431 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 3gtg h MET 432 N 0.00 0.41 0.00 2.98 2.86 -0.08 -3.02 114.93 118.08 3gtg h MET 432 Ca -0.13 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3gtg h MET 432 Cb 1.35 0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.09 3gtg h MET 432 CO 0.02 1.00 0.12 0.00 1.06 0.00 0.00 176.91 179.11 3gtg n GLN 433 N -4.32 0.08 0.00 1.72 10.64 -1.07 0.74 117.38 125.19 3gtg n GLN 433 Ca -0.09 0.55 0.09 0.00 -1.83 0.00 0.00 57.00 55.73 3gtg n GLN 433 Cb 0.57 -1.89 0.05 0.00 -0.86 0.00 0.00 30.24 28.10 3gtg n GLN 433 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3gtg n ARG 434 N -1.94 1.63 -3.84 2.61 1.74 -1.15 -4.69 116.66 111.02 3gtg n ARG 434 Ca -0.01 -1.34 -0.35 0.00 -0.77 0.00 0.00 57.85 55.38 3gtg n ARG 434 Cb 0.14 -1.36 -0.08 0.00 -1.02 0.00 0.00 32.46 30.14 3gtg n ARG 434 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3gtg s THR 435 N -1.83 5.24 -0.52 0.55 2.01 0.23 -4.30 115.64 117.01 3gtg s THR 435 Ca 0.20 0.12 -0.22 0.00 0.31 0.00 0.00 61.69 62.10 3gtg s THR 435 Cb 0.16 -3.36 0.03 0.00 0.01 0.00 0.00 72.50 69.34 3gtg s THR 435 CO 0.34 0.48 0.64 0.55 -0.69 0.00 0.00 174.62 175.94 3gtg n VAL 436 N 3.21 -6.99 0.00 3.82 3.14 -1.24 -4.72 118.33 115.56 3gtg n VAL 436 Ca -0.17 0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 3gtg n VAL 436 Cb 0.53 -5.12 0.00 0.00 -1.06 0.00 0.00 33.84 28.18 3gtg n VAL 436 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3gtg n GLU 437 N -0.72 0.00 -0.00 1.45 -0.58 -1.26 -5.03 120.64 114.50 3gtg n GLU 437 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 3gtg n GLU 437 Cb 0.59 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.46 3gtg n GLU 437 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3gtg n GLU 438 N 14.00 1.26 0.00 3.49 1.02 -1.26 -5.03 120.64 134.12 3gtg n GLU 438 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3gtg n GLU 438 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3gtg n GLU 438 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gtg n ALA 439 N -3.00 0.00 -3.14 0.62 0.00 -1.26 -4.89 120.51 108.84 3gtg n ALA 439 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3gtg n ALA 439 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 3gtg n ALA 439 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3gtg s HIS 440 N 0.00 1.18 -0.39 0.00 2.46 -1.26 -3.59 115.29 113.69 3gtg s HIS 440 Ca 0.00 -0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.19 3gtg s HIS 440 Cb 0.00 -0.84 0.00 0.00 -0.13 0.00 0.00 32.58 31.61 3gtg s HIS 440 CO 0.00 -0.15 0.00 -0.25 -2.47 0.00 0.00 174.74 171.87 3gtg n ASP 441 N 3.42 -1.95 0.00 9.88 8.00 -1.26 -4.04 116.55 130.60 3gtg n ASP 441 Ca -0.20 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.39 3gtg n ASP 441 Cb 0.53 -1.76 0.00 0.00 -0.02 0.00 0.00 41.12 39.88 3gtg n ASP 441 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gtg n PHE 442 N -1.09 0.00 -3.92 1.24 3.72 -1.26 -4.13 117.46 112.02 3gtg n PHE 442 Ca -0.04 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.06 3gtg n PHE 442 Cb 0.20 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.60 3gtg n PHE 442 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3gtg s ASN 443 N 0.00 4.35 -0.15 4.37 0.01 -1.26 -5.08 114.94 117.19 3gtg s ASN 443 Ca 0.00 -2.53 -0.04 0.00 -0.71 0.00 0.00 52.86 49.58 3gtg s ASN 443 Cb 0.00 -1.48 0.07 0.00 0.41 0.00 0.00 41.25 40.25 3gtg s ASN 443 CO 0.00 -0.31 0.22 -0.32 -1.51 0.00 0.00 177.10 175.18 3gtg s MET 444 N 0.39 0.13 -0.15 -0.60 1.75 -1.26 -5.12 119.30 114.44 3gtg s MET 444 Ca 0.14 0.47 -0.04 0.00 -1.25 0.00 0.00 55.69 55.02 3gtg s MET 444 Cb -0.23 -0.58 0.07 0.00 2.84 0.00 0.00 34.83 36.93 3gtg s MET 444 CO -0.05 -0.44 0.19 0.15 -0.65 0.00 0.00 175.02 174.21 3gtg s LYS 445 N 2.35 0.11 0.00 4.11 3.01 -1.26 -4.10 119.74 123.96 3gtg s LYS 445 Ca 0.04 0.35 0.00 0.00 -1.01 0.00 0.00 55.97 55.35 3gtg s LYS 445 Cb -0.14 -0.83 0.00 0.00 -1.01 0.00 0.00 37.83 35.86 3gtg s LYS 445 CO -0.09 -0.50 0.00 -0.11 0.51 0.00 0.00 175.35 175.16 3gtg n LEU 446 N 5.32 0.00 0.06 3.17 7.94 -1.26 -4.73 117.00 127.51 3gtg n LEU 446 Ca -0.05 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.93 3gtg n LEU 446 Cb 0.50 0.00 0.38 0.00 0.53 0.00 0.00 43.42 44.82 3gtg n LEU 446 CO 0.06 0.00 0.77 0.00 -1.11 0.00 0.00 177.39 177.11 3gtg n ALA 447 N 0.00 1.55 -2.60 1.96 0.00 -1.26 -4.59 120.51 115.57 3gtg n ALA 447 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 3gtg n ALA 447 Cb 0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.11 3gtg n ALA 447 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gtg s ILE 448 N -3.17 4.83 -1.14 0.00 -1.09 -1.26 -4.67 121.20 114.71 3gtg s ILE 448 Ca 0.04 1.00 -0.05 0.00 -2.23 0.00 0.00 60.65 59.41 3gtg s ILE 448 Cb 0.08 -4.11 0.27 0.00 -1.58 0.00 0.00 42.46 37.12 3gtg s ILE 448 CO 0.29 -0.25 1.67 -3.20 -1.23 0.00 0.00 174.94 172.22 3gtg n ASN 449 N 6.13 6.31 0.00 3.58 5.15 -1.26 -4.86 115.26 130.31 3gtg n ASN 449 Ca 0.02 -3.36 0.00 0.00 -0.60 0.00 0.00 54.58 50.64 3gtg n ASN 449 Cb 0.48 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.42 3gtg n ASN 449 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gtg n ALA 450 N 1.78 1.35 0.50 5.20 0.00 -1.26 -0.69 120.51 127.38 3gtg n ALA 450 Ca 0.34 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.90 3gtg n ALA 450 Cb 0.33 -0.90 0.43 0.00 0.00 0.00 0.00 19.45 19.31 3gtg n ALA 450 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3gtg h LYS 451 N 0.00 0.00 -0.01 0.00 3.11 -1.95 -3.16 116.57 114.57 3gtg h LYS 451 Ca 0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3gtg h LYS 451 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 3gtg h LYS 451 CO 0.00 0.00 -0.00 1.15 -2.81 0.00 0.00 179.45 177.79 3gtg h THR 452 N 0.00 1.33 0.00 1.00 2.02 -1.34 -2.12 112.91 113.79 3gtg h THR 452 Ca 0.00 -0.96 -0.12 0.00 0.77 0.00 0.00 66.41 66.10 3gtg h THR 452 Cb 0.62 1.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 3gtg h THR 452 CO 0.00 0.25 -0.57 0.40 0.37 0.00 0.00 175.52 175.97 3gtg h ILE 453 N -0.39 1.08 0.31 3.11 2.04 -1.80 -2.92 117.51 118.94 3gtg h ILE 453 Ca 0.00 -2.22 -0.02 0.00 1.00 0.00 0.00 64.86 63.63 3gtg h ILE 453 Cb 0.41 2.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 3gtg h ILE 453 CO 0.00 0.56 -0.15 0.74 0.00 0.00 0.00 178.15 179.30 3gtg h THR 454 N 0.00 0.00 0.00 -0.27 2.02 -1.55 -3.11 112.91 109.99 3gtg h THR 454 Ca -0.01 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 3gtg h THR 454 Cb 1.28 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3gtg h THR 454 CO 0.07 0.00 -0.15 0.77 0.37 0.00 0.00 175.52 176.58 3gtg h SER 455 N -0.74 0.00 0.86 4.18 4.64 -1.53 -2.61 113.55 118.36 3gtg h SER 455 Ca -0.04 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.08 3gtg h SER 455 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3gtg h SER 455 CO 0.07 0.15 -0.93 1.23 -0.87 0.00 0.00 176.83 176.48 3gtg h GLY 456 N 1.23 0.05 1.77 -0.77 0.00 -1.65 -0.80 103.07 102.91 3gtg h GLY 456 Ca -0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 3gtg h GLY 456 CO 0.02 0.09 -0.52 1.41 0.00 0.00 0.00 176.54 177.54 3gtg h LEU 457 N 0.02 0.00 0.40 3.11 3.38 -1.43 -2.98 115.31 117.80 3gtg h LEU 457 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3gtg h LEU 457 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.39 3gtg h LEU 457 CO 0.13 0.31 -0.19 0.11 0.09 0.00 0.00 178.44 178.89 3gtg h LYS 458 N 0.00 -0.51 -0.50 1.13 1.57 -1.44 -2.16 116.57 114.65 3gtg h LYS 458 Ca -0.02 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3gtg h LYS 458 Cb 1.26 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 33.59 3gtg h LYS 458 CO 0.04 -0.34 -0.46 -0.92 -0.57 0.00 0.00 179.45 177.20 3gtg h TYR 459 N -1.00 -1.36 0.25 -1.35 -0.00 -1.27 1.39 116.97 113.62 3gtg h TYR 459 Ca -0.05 0.08 0.01 0.00 -0.00 0.00 0.00 58.73 58.76 3gtg h TYR 459 Cb 0.41 0.67 -0.04 0.00 -0.00 0.00 0.00 36.73 37.77 3gtg h TYR 459 CO 0.01 -0.44 -0.45 0.00 -0.00 0.00 0.00 178.16 177.28 3gtg h ALA 460 N 0.44 -0.90 0.00 1.82 0.00 -1.66 -1.04 119.26 117.92 3gtg h ALA 460 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gtg h ALA 460 Cb 0.57 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3gtg h ALA 460 CO -0.64 -1.06 0.00 -0.11 0.00 0.00 0.00 179.25 177.44 3gtg n LEU 461 N -5.50 0.55 0.07 0.00 7.94 -0.81 -2.44 117.00 116.81 3gtg n LEU 461 Ca -0.09 0.63 -0.05 0.00 -1.11 0.00 0.00 56.01 55.40 3gtg n LEU 461 Cb 0.41 -0.55 -0.02 0.00 0.53 0.00 0.00 43.42 43.78 3gtg n LEU 461 CO 0.22 -0.49 0.12 0.00 -1.11 0.00 0.00 177.39 176.13 3gtg h ALA 462 N 2.32 -0.28 0.00 1.96 0.00 0.24 -3.40 119.26 120.10 3gtg h ALA 462 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3gtg h ALA 462 Cb 0.36 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3gtg h ALA 462 CO 0.00 -0.26 -0.52 1.15 0.00 0.00 0.00 179.25 179.62 3gtg h THR 463 N -1.07 0.97 -0.14 0.00 2.02 -1.12 -3.47 112.91 110.10 3gtg h THR 463 Ca -0.03 -2.13 -0.04 0.00 0.77 0.00 0.00 66.41 64.98 3gtg h THR 463 Cb 0.23 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 3gtg h THR 463 CO 0.05 0.51 -0.04 0.61 0.37 0.00 0.00 175.52 177.02 3gtg n GLY 464 N 0.91 0.47 3.19 2.16 0.00 -1.02 -4.90 105.19 105.98 3gtg n GLY 464 Ca 0.01 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 3gtg n GLY 464 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gtg s ASN 465 N -2.96 6.44 -1.16 1.61 0.01 -1.23 -2.43 114.94 115.21 3gtg s ASN 465 Ca 0.00 -3.67 -0.22 0.00 -0.71 0.00 0.00 52.86 48.25 3gtg s ASN 465 Cb 0.00 -2.01 -0.06 0.00 0.41 0.00 0.00 41.25 39.59 3gtg s ASN 465 CO 0.00 -0.22 1.90 0.86 -1.51 0.00 0.00 177.10 178.13 3gtg s TRP 466 N -1.31 2.05 0.00 2.20 -0.00 -1.24 -4.32 118.94 116.32 3gtg s TRP 466 Ca 0.28 0.20 0.00 0.00 -0.00 0.00 0.00 56.10 56.59 3gtg s TRP 466 Cb -0.08 -4.11 0.00 0.00 -0.00 0.00 0.00 33.47 29.28 3gtg s TRP 466 CO -0.11 -1.35 0.00 0.41 -0.00 0.00 0.00 176.95 175.90 3gtg n GLY 467 N 5.90 -0.14 7.00 5.86 0.00 -1.26 -4.49 105.19 118.06 3gtg n GLY 467 Ca 0.44 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.60 3gtg n GLY 467 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gtg n GLU 468 N 0.00 0.00 -1.40 1.61 0.28 -1.26 -4.78 120.64 115.09 3gtg n GLU 468 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 3gtg n GLU 468 Cb 0.00 0.00 0.16 0.00 1.43 0.00 0.00 31.44 33.03 3gtg n GLU 468 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 3gtg s GLN 469 N 0.00 0.64 0.00 3.44 1.03 -1.26 -4.70 119.66 118.81 3gtg s GLN 469 Ca 0.00 0.28 0.00 0.00 0.04 0.00 0.00 55.36 55.68 3gtg s GLN 469 Cb 0.00 -1.78 0.00 0.00 0.03 0.00 0.00 33.01 31.26 3gtg s GLN 469 CO 0.00 -2.54 0.00 1.63 -2.54 0.00 0.00 175.29 171.84 3gtg n LYS 470 N -4.00 0.00 -1.23 9.60 4.76 -1.26 -5.09 118.16 120.94 3gtg n LYS 470 Ca 0.07 0.23 -0.29 0.00 -2.87 0.00 0.00 58.31 55.44 3gtg n LYS 470 Cb 0.59 -1.49 0.15 0.00 -1.84 0.00 0.00 35.03 32.44 3gtg n LYS 470 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 3gtg s LYS 471 N -2.99 0.96 0.03 1.97 -2.85 -1.26 -4.29 119.74 111.31 3gtg s LYS 471 Ca 0.00 0.66 0.16 0.00 -1.00 0.00 0.00 55.97 55.79 3gtg s LYS 471 Cb 0.00 -1.79 -0.16 0.00 -2.06 0.00 0.00 37.83 33.82 3gtg s LYS 471 CO 0.00 -2.40 0.74 0.00 0.10 0.00 0.00 175.35 173.79 3gtg n ALA 472 N -3.97 1.87 -1.62 0.59 0.00 -1.26 -5.07 120.51 111.05 3gtg n ALA 472 Ca 0.06 -0.62 -0.63 0.00 0.00 0.00 0.00 53.44 52.25 3gtg n ALA 472 Cb 0.56 -0.89 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 3gtg n ALA 472 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3gtg n MET 473 N -2.88 0.06 -2.94 0.00 2.81 -1.26 -0.78 117.12 112.12 3gtg n MET 473 Ca -0.12 0.02 -0.44 0.00 -1.81 0.00 0.00 57.70 55.35 3gtg n MET 473 Cb 0.88 -1.53 -0.03 0.00 -0.71 0.00 0.00 33.22 31.83 3gtg n MET 473 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3gtg s SER 474 N 1.45 6.37 0.03 7.83 0.15 -1.26 -4.88 113.70 123.39 3gtg s SER 474 Ca 0.97 -1.52 0.00 0.00 0.70 0.00 0.00 55.95 56.10 3gtg s SER 474 Cb -1.36 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 60.56 3gtg s SER 474 CO 0.68 -1.22 0.00 -1.54 1.20 0.00 0.00 173.24 172.37 3gtg n SER 475 N 6.92 -1.93 -0.32 5.45 3.41 -0.57 -4.68 113.62 121.91 3gtg n SER 475 Ca 0.06 1.13 0.16 0.00 -0.26 0.00 0.00 58.87 59.97 3gtg n SER 475 Cb 0.46 -2.27 0.33 0.00 -0.26 0.00 0.00 64.21 62.48 3gtg n SER 475 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3gtg h ARG 476 N 3.66 0.11 0.00 4.33 -0.00 -1.30 -3.43 114.38 117.75 3gtg h ARG 476 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 3gtg h ARG 476 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 29.95 3gtg h ARG 476 CO 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 179.97 180.04 3gtg n ALA 477 N -2.79 0.00 -3.11 0.08 0.00 -1.26 -3.61 120.51 109.82 3gtg n ALA 477 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.54 3gtg n ALA 477 Cb 0.79 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.31 3gtg n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gtg n GLY 478 N 0.00 -0.92 0.00 0.00 0.00 -1.07 -5.06 105.19 98.14 3gtg n GLY 478 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3gtg n GLY 478 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gtg n VAL 479 N -3.13 0.00 -3.40 1.61 0.31 -1.02 -4.75 118.33 107.95 3gtg n VAL 479 Ca -0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.04 3gtg n VAL 479 Cb 0.61 -1.82 0.06 0.00 -0.91 0.00 0.00 33.84 31.79 3gtg n VAL 479 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3gtg n SER 480 N -1.28 -6.21 -4.86 4.52 2.88 -1.13 -3.89 113.62 103.64 3gtg n SER 480 Ca 0.00 -0.81 -0.31 0.00 -1.33 0.00 0.00 58.87 56.42 3gtg n SER 480 Cb 0.00 -4.57 0.03 0.00 -0.75 0.00 0.00 64.21 58.91 3gtg n SER 480 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3gtg s GLN 481 N -4.94 3.31 -0.74 -1.46 -0.21 -0.95 -4.12 119.66 110.57 3gtg s GLN 481 Ca 0.46 0.71 -0.02 0.00 0.02 0.00 0.00 55.36 56.54 3gtg s GLN 481 Cb -0.10 -2.05 0.32 0.00 1.00 0.00 0.00 33.01 32.18 3gtg s GLN 481 CO 0.78 -0.77 2.14 0.28 -2.12 0.00 0.00 175.29 175.61 3gtg n VAL 482 N -2.87 3.53 -0.62 1.09 0.31 -1.26 0.14 118.33 118.64 3gtg n VAL 482 Ca 0.06 -3.75 0.05 0.00 -0.01 0.00 0.00 64.34 60.70 3gtg n VAL 482 Cb 0.55 -1.28 -0.02 0.00 -0.91 0.00 0.00 33.84 32.18 3gtg n VAL 482 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3gtg n LEU 483 N -0.36 -0.21 -3.78 7.52 0.00 -0.78 -4.74 117.00 114.65 3gtg n LEU 483 Ca 0.54 0.48 -0.30 0.00 0.00 0.00 0.00 56.01 56.74 3gtg n LEU 483 Cb 0.37 -2.05 -0.15 0.00 0.00 0.00 0.00 43.42 41.58 3gtg n LEU 483 CO 0.53 -0.86 -0.35 0.21 0.00 0.00 0.00 177.39 176.92 3gtg s ASN 484 N -3.58 3.87 -0.71 1.96 3.84 -1.26 -5.04 114.94 114.01 3gtg s ASN 484 Ca 0.00 -1.48 -0.08 0.00 0.21 0.00 0.00 52.86 51.52 3gtg s ASN 484 Cb 0.00 -0.90 0.18 0.00 -0.55 0.00 0.00 41.25 39.98 3gtg s ASN 484 CO 0.00 -0.37 0.58 -0.13 -2.79 0.00 0.00 177.10 174.38 3gtg s ARG 485 N 1.59 3.00 0.30 0.43 0.52 -1.26 -3.44 118.95 120.09 3gtg s ARG 485 Ca 0.06 -2.50 0.00 0.00 -0.52 0.00 0.00 55.73 52.78 3gtg s ARG 485 Cb -0.18 -4.03 0.00 0.00 0.52 0.00 0.00 34.95 31.27 3gtg s ARG 485 CO -0.19 -1.22 0.00 0.98 0.02 0.00 0.00 175.30 174.89 3gtg n TYR 486 N 3.70 -2.71 -4.37 -0.53 9.36 -1.26 -4.84 117.16 116.51 3gtg n TYR 486 Ca 0.10 0.51 -0.25 0.00 3.32 0.00 0.00 57.90 61.58 3gtg n TYR 486 Cb 0.42 0.74 -0.09 0.00 -0.63 0.00 0.00 39.34 39.78 3gtg n TYR 486 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3gtg s THR 487 N -2.00 2.38 -0.04 2.97 2.01 -1.26 -4.39 115.64 115.31 3gtg s THR 487 Ca 0.00 -1.94 -0.13 0.00 0.31 0.00 0.00 61.69 59.94 3gtg s THR 487 Cb 0.00 -2.87 -0.31 0.00 0.01 0.00 0.00 72.50 69.32 3gtg s THR 487 CO 0.00 -0.11 0.72 0.22 -0.69 0.00 0.00 174.62 174.76 3gtg h TYR 488 N 1.73 0.75 0.00 4.92 3.20 -1.81 -0.48 116.97 125.28 3gtg h TYR 488 Ca -0.43 -0.54 0.00 0.00 3.14 0.00 0.00 58.73 60.90 3gtg h TYR 488 Cb 1.25 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.49 3gtg h TYR 488 CO 0.70 1.65 0.00 -1.13 -1.64 0.00 0.00 178.16 177.74 3gtg n SER 489 N -3.65 0.00 0.00 -2.11 3.41 -1.26 -1.29 113.62 108.71 3gtg n SER 489 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 3gtg n SER 489 Cb 1.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 3gtg n SER 489 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3gtg n SER 490 N -0.80 2.57 -0.21 4.04 2.88 -1.14 -3.87 113.62 117.08 3gtg n SER 490 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 3gtg n SER 490 Cb 0.00 0.31 0.08 0.00 -0.75 0.00 0.00 64.21 63.84 3gtg n SER 490 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3gtg h THR 491 N 0.00 1.26 -0.50 2.46 2.02 -0.46 -2.05 112.91 115.64 3gtg h THR 491 Ca 0.00 -1.01 -0.10 0.00 0.77 0.00 0.00 66.41 66.06 3gtg h THR 491 Cb 0.42 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3gtg h THR 491 CO 0.00 0.38 -0.10 -0.07 0.37 0.00 0.00 175.52 176.10 3gtg h LEU 492 N 0.98 0.92 -0.29 2.58 3.38 -1.43 -3.24 115.31 118.21 3gtg h LEU 492 Ca 0.20 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 3gtg h LEU 492 Cb 0.42 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3gtg h LEU 492 CO 0.01 1.03 -0.46 -1.28 0.09 0.00 0.00 178.44 177.83 3gtg h SER 493 N 0.83 0.00 0.32 -0.43 0.87 -1.63 -3.30 113.55 110.21 3gtg h SER 493 Ca 0.14 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.44 3gtg h SER 493 Cb 0.63 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.60 3gtg h SER 493 CO 0.04 0.46 -1.08 -0.74 -0.53 0.00 0.00 176.83 174.98 3gtg h HIS 494 N 0.00 0.71 0.00 2.24 -0.00 -1.40 -3.25 115.15 113.45 3gtg h HIS 494 Ca -0.00 -0.43 -0.03 0.00 -0.00 0.00 0.00 60.37 59.91 3gtg h HIS 494 Cb 1.23 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 28.57 3gtg h HIS 494 CO 0.00 1.27 -0.15 -0.07 -0.00 0.00 0.00 177.93 178.98 3gtg h LEU 495 N 0.22 0.00 -3.29 0.26 3.38 -1.63 -2.94 115.31 111.31 3gtg h LEU 495 Ca -0.12 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.53 3gtg h LEU 495 Cb 1.75 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 42.30 3gtg h LEU 495 CO 0.19 0.15 0.41 0.54 0.09 0.00 0.00 178.44 179.83 3gtg n ARG 496 N -3.65 1.95 -3.66 1.13 1.74 -1.23 -4.88 116.66 108.07 3gtg n ARG 496 Ca -0.02 -2.01 -0.37 0.00 -0.77 0.00 0.00 57.85 54.68 3gtg n ARG 496 Cb 0.28 -1.80 -0.06 0.00 -1.02 0.00 0.00 32.46 29.86 3gtg n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gtg s ARG 497 N -2.20 3.76 0.40 5.56 3.52 -1.11 -2.58 118.95 126.29 3gtg s ARG 497 Ca 0.38 0.16 0.08 0.00 -0.13 0.00 0.00 55.73 56.21 3gtg s ARG 497 Cb 0.32 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 30.43 3gtg s ARG 497 CO 0.08 0.68 0.19 0.99 -0.81 0.00 0.00 175.30 176.42 3gtg s THR 498 N -0.90 2.48 -0.03 4.11 2.01 -0.45 -1.10 115.64 121.75 3gtg s THR 498 Ca 0.19 -1.67 -0.02 0.00 0.31 0.00 0.00 61.69 60.50 3gtg s THR 498 Cb -0.14 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.40 3gtg s THR 498 CO 0.09 -0.04 0.08 0.21 -0.69 0.00 0.00 174.62 174.26 3gtg s ASN 499 N -3.91 -0.05 -0.07 3.53 2.47 0.41 -4.14 114.94 113.17 3gtg s ASN 499 Ca 0.41 0.15 0.05 0.00 0.42 0.00 0.00 52.86 53.89 3gtg s ASN 499 Cb 0.02 0.11 -0.00 0.00 -1.45 0.00 0.00 41.25 39.93 3gtg s ASN 499 CO 0.23 -0.07 -0.23 -0.89 -3.72 0.00 0.00 177.10 172.42 3gtg s THR 500 N 0.46 1.95 0.88 -5.21 2.01 -1.26 0.33 115.64 114.80 3gtg s THR 500 Ca -0.04 -0.98 -0.11 0.00 0.31 0.00 0.00 61.69 60.87 3gtg s THR 500 Cb -0.05 -1.67 0.12 0.00 0.01 0.00 0.00 72.50 70.91 3gtg s THR 500 CO -0.02 0.54 1.09 -2.84 -0.69 0.00 0.00 174.62 172.71 3gtg s PRO 501 N 0.10 1.37 0.00 4.92 0.02 -1.26 -4.96 135.00 135.19 3gtg s PRO 501 Ca -0.10 0.98 0.00 0.00 0.02 0.00 0.00 61.00 61.89 3gtg s PRO 501 Cb -0.15 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3gtg s PRO 501 CO 0.06 -2.21 0.00 -0.89 -0.33 0.00 0.00 177.00 173.63 3gtg n ILE 502 N -3.88 0.00 0.63 2.83 5.41 -1.26 -5.12 119.36 117.97 3gtg n ILE 502 Ca 0.08 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.93 3gtg n ILE 502 Cb 0.54 0.00 0.43 0.00 -0.71 0.00 0.00 39.64 39.90 3gtg n ILE 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gtg n ALA 509 N 3.81 1.90 -2.98 -1.39 0.00 -1.26 -5.09 120.51 115.50 3gtg n ALA 509 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 3gtg n ALA 509 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3gtg n ALA 509 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gtg n LYS 510 N -1.67 0.86 -0.34 0.00 5.02 -1.26 -5.03 118.16 115.74 3gtg n LYS 510 Ca 0.04 -2.61 0.01 0.00 -2.02 0.00 0.00 58.31 53.73 3gtg n LYS 510 Cb 0.25 -1.36 0.13 0.00 -0.02 0.00 0.00 35.03 34.03 3gtg n LYS 510 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3gtg n PRO 511 N 0.95 2.27 -0.00 1.97 -0.05 -1.26 -3.16 135.00 135.72 3gtg n PRO 511 Ca 0.16 -1.13 0.03 0.00 -0.05 0.00 0.00 63.50 62.51 3gtg n PRO 511 Cb 0.62 -1.73 -0.04 0.00 -0.05 0.00 0.00 33.50 32.31 3gtg n PRO 511 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 3gtg n ARG 512 N 0.18 0.29 -1.53 0.54 1.74 -1.26 -4.41 116.66 112.21 3gtg n ARG 512 Ca 0.12 -0.05 -0.37 0.00 -0.77 0.00 0.00 57.85 56.79 3gtg n ARG 512 Cb 0.64 -1.11 0.07 0.00 -1.02 0.00 0.00 32.46 31.04 3gtg n ARG 512 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3gtg n GLN 513 N -1.66 0.77 -2.82 5.56 3.00 -1.19 -4.66 117.38 116.37 3gtg n GLN 513 Ca -0.01 0.32 -0.42 0.00 -0.01 0.00 0.00 57.00 56.87 3gtg n GLN 513 Cb 0.13 -2.30 -0.04 0.00 0.00 0.00 0.00 30.24 28.04 3gtg n GLN 513 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3gtg s LEU 514 N -3.22 4.01 -0.11 1.08 2.96 -1.26 -5.05 118.68 117.10 3gtg s LEU 514 Ca 0.77 0.62 -0.05 0.00 -0.22 0.00 0.00 54.13 55.25 3gtg s LEU 514 Cb -0.37 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 3gtg s LEU 514 CO 0.46 -0.81 0.09 -2.28 -1.32 0.00 0.00 176.35 172.49 3gtg s HIS 515 N 3.39 3.45 0.10 5.38 5.65 -1.26 -5.02 115.29 126.98 3gtg s HIS 515 Ca 0.37 0.41 -0.20 0.00 0.25 0.00 0.00 55.06 55.90 3gtg s HIS 515 Cb -0.12 -1.89 -0.05 0.00 -1.18 0.00 0.00 32.58 29.35 3gtg s HIS 515 CO 0.17 0.65 1.18 0.09 -0.65 0.00 0.00 174.74 176.18 3gtg n ASN 516 N 2.01 -0.68 -0.29 9.88 5.03 -1.26 0.13 115.26 130.08 3gtg n ASN 516 Ca -0.19 1.33 0.27 0.00 0.87 0.00 0.00 54.58 56.86 3gtg n ASN 516 Cb 0.54 -0.24 0.49 0.00 -1.02 0.00 0.00 39.78 39.55 3gtg n ASN 516 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3gtg n THR 517 N -4.54 -0.28 0.30 3.41 -2.24 -1.26 -1.16 114.28 108.50 3gtg n THR 517 Ca 0.01 1.53 0.06 0.00 -2.27 0.00 0.00 64.05 63.38 3gtg n THR 517 Cb 0.17 -2.50 0.31 0.00 -2.10 0.00 0.00 70.33 66.21 3gtg n THR 517 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3gtg h HIS 518 N 0.00 0.00 -0.89 4.78 3.86 0.77 -3.43 115.15 120.24 3gtg h HIS 518 Ca 0.68 0.00 -0.70 0.00 -1.16 0.00 0.00 60.37 59.19 3gtg h HIS 518 Cb 1.92 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.37 3gtg h HIS 518 CO -0.01 0.00 1.36 1.87 0.86 0.00 0.00 177.93 182.02 3gtg n TRP 519 N -2.52 1.54 -0.81 2.45 -0.00 -0.31 -1.05 117.44 116.73 3gtg n TRP 519 Ca -0.01 0.40 0.00 0.00 -0.00 0.00 0.00 57.50 57.89 3gtg n TRP 519 Cb 0.70 -2.48 0.00 0.00 -0.00 0.00 0.00 31.31 29.54 3gtg n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3gtg n GLY 520 N 6.59 0.56 0.54 5.87 0.00 -1.26 -4.81 105.19 112.69 3gtg n GLY 520 Ca 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3gtg n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtg n LEU 521 N 0.00 0.75 -4.65 0.99 4.77 -0.22 -4.53 117.00 114.11 3gtg n LEU 521 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 3gtg n LEU 521 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 3gtg n LEU 521 CO 0.00 0.02 -0.34 -0.69 -1.33 0.00 0.00 177.39 175.05 3gtg s VAL 522 N -1.58 3.56 -0.00 4.08 1.01 -0.62 -2.51 120.40 124.33 3gtg s VAL 522 Ca 0.00 -1.64 -0.30 0.00 0.00 0.00 0.00 61.98 60.04 3gtg s VAL 522 Cb 0.00 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3gtg s VAL 522 CO 0.00 -0.22 0.98 0.00 0.00 0.00 0.00 175.10 175.86 3gtg h PRO 524 N 6.81 -0.59 0.03 0.00 0.11 -1.92 -3.33 132.00 133.11 3gtg h PRO 524 Ca -0.41 0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.61 3gtg h PRO 524 Cb 1.22 0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.47 3gtg h PRO 524 CO 0.75 -0.39 -0.55 0.00 -0.21 0.00 0.00 178.00 177.60 3gtg h ALA 525 N -0.25 0.02 -2.27 -0.75 0.00 -1.93 -3.45 119.26 110.63 3gtg h ALA 525 Ca 0.03 -0.57 -0.58 0.00 0.00 0.00 0.00 54.91 53.79 3gtg h ALA 525 Cb 0.69 0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.57 3gtg h ALA 525 CO -0.39 0.29 0.99 -1.91 0.00 0.00 0.00 179.25 178.23 3gtg n GLU 526 N -4.27 2.37 0.00 0.00 2.13 -1.25 -4.49 120.64 115.12 3gtg n GLU 526 Ca -0.11 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.57 3gtg n GLU 526 Cb 0.66 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.68 3gtg n GLU 526 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 3gtg n THR 527 N 4.37 0.00 -2.85 6.31 5.66 -1.26 -4.49 114.28 122.02 3gtg n THR 527 Ca 0.19 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.86 3gtg n THR 527 Cb 0.32 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.03 3gtg n THR 527 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3gtg s PRO 528 N -0.54 4.19 0.02 1.09 0.04 -1.26 -4.78 135.00 133.77 3gtg s PRO 528 Ca 0.00 1.06 -0.02 0.00 0.04 0.00 0.00 61.00 62.08 3gtg s PRO 528 Cb 0.00 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 3gtg s PRO 528 CO 0.00 -0.01 0.02 -1.83 0.04 0.00 0.00 177.00 175.21 3gtg s GLU 529 N -3.18 0.40 -0.00 4.56 -1.05 -1.26 -3.94 118.70 114.23 3gtg s GLU 529 Ca 0.61 -0.64 0.04 0.00 -0.15 0.00 0.00 54.97 54.83 3gtg s GLU 529 Cb -0.09 0.15 -0.05 0.00 -0.44 0.00 0.00 34.13 33.70 3gtg s GLU 529 CO 0.14 -0.08 0.12 0.41 0.95 0.00 0.00 175.26 176.80 3gtg n GLY 530 N 1.34 0.29 3.55 -3.83 0.00 -1.26 -4.99 105.19 100.29 3gtg n GLY 530 Ca -0.22 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 3gtg n GLY 530 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtg n GLN 531 N -1.33 1.29 -2.41 1.61 0.00 -1.26 -0.15 117.38 115.14 3gtg n GLN 531 Ca 0.00 0.20 -0.16 0.00 0.00 0.00 0.00 57.00 57.04 3gtg n GLN 531 Cb 0.07 -3.17 -0.00 0.00 0.00 0.00 0.00 30.24 27.14 3gtg n GLN 531 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gtg n ALA 532 N 13.62 -0.52 -1.76 2.61 0.00 -1.26 -5.01 120.51 128.19 3gtg n ALA 532 Ca 0.37 0.15 -0.39 0.00 0.00 0.00 0.00 53.44 53.57 3gtg n ALA 532 Cb 0.45 -2.05 0.01 0.00 0.00 0.00 0.00 19.45 17.86 3gtg n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtg n GLY 534 N 0.62 2.68 0.26 0.00 0.00 -1.25 -4.71 105.19 102.79 3gtg n GLY 534 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 3gtg n GLY 534 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gtg h LEU 535 N 0.00 0.76 -9.70 0.99 3.38 -1.77 -3.42 115.31 105.54 3gtg h LEU 535 Ca 0.00 -0.27 -0.56 0.00 0.09 0.00 0.00 57.88 57.14 3gtg h LEU 535 Cb 0.00 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3gtg h LEU 535 CO 0.00 0.96 0.02 -0.69 0.09 0.00 0.00 178.44 178.82 3gtg s VAL 536 N -4.60 4.65 0.04 1.22 1.01 -1.26 -4.12 120.40 117.34 3gtg s VAL 536 Ca -0.09 1.34 0.03 0.00 0.00 0.00 0.00 61.98 63.27 3gtg s VAL 536 Cb 0.13 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3gtg s VAL 536 CO 0.83 0.55 -0.10 -0.54 0.00 0.00 0.00 175.10 175.83 3gtg s LYS 537 N -1.10 0.69 -0.06 2.72 -0.14 -1.26 -4.68 119.74 115.90 3gtg s LYS 537 Ca 0.31 -0.69 0.05 0.00 -1.36 0.00 0.00 55.97 54.28 3gtg s LYS 537 Cb -0.20 -0.61 -0.02 0.00 -1.68 0.00 0.00 37.83 35.32 3gtg s LYS 537 CO 0.21 0.14 -0.21 -0.80 -0.76 0.00 0.00 175.35 173.93 3gtg s ASN 538 N -1.20 3.45 0.74 2.83 0.02 -1.26 -1.35 114.94 118.17 3gtg s ASN 538 Ca -0.03 -0.40 -0.15 0.00 -1.02 0.00 0.00 52.86 51.26 3gtg s ASN 538 Cb -0.08 -0.91 0.05 0.00 0.02 0.00 0.00 41.25 40.32 3gtg s ASN 538 CO 0.01 0.27 1.24 -0.76 0.02 0.00 0.00 177.10 177.87 3gtg s LEU 539 N -0.27 3.31 1.10 0.60 1.43 -1.06 -2.06 118.68 121.72 3gtg s LEU 539 Ca 0.00 2.46 -0.13 0.00 -1.03 0.00 0.00 54.13 55.44 3gtg s LEU 539 Cb -0.13 -4.60 0.25 0.00 0.03 0.00 0.00 46.19 41.74 3gtg s LEU 539 CO 0.03 -2.40 1.06 -0.44 0.23 0.00 0.00 176.35 174.82 3gtg s SER 540 N -1.87 1.65 0.03 2.29 0.01 -1.04 -4.33 113.70 110.43 3gtg s SER 540 Ca 0.77 1.33 -0.25 0.00 1.31 0.00 0.00 55.95 59.10 3gtg s SER 540 Cb -0.32 -2.06 -0.14 0.00 0.21 0.00 0.00 66.02 63.71 3gtg s SER 540 CO 0.46 -3.75 1.22 -0.07 0.41 0.00 0.00 173.24 171.51 3gtg h LEU 541 N -2.32 -0.77 -1.52 2.44 3.38 -1.27 -3.33 115.31 111.92 3gtg h LEU 541 Ca -0.59 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3gtg h LEU 541 Cb 1.34 0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.29 3gtg h LEU 541 CO 0.54 -0.49 0.00 0.80 0.09 0.00 0.00 178.44 179.38 3gtg n MET 542 N -4.80 1.90 -4.16 1.13 1.56 -1.26 -4.86 117.12 106.63 3gtg n MET 542 Ca -0.11 -0.76 -0.30 0.00 -0.27 0.00 0.00 57.70 56.26 3gtg n MET 542 Cb 0.36 -1.63 -0.08 0.00 2.15 0.00 0.00 33.22 34.02 3gtg n MET 542 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 3gtg s SER 543 N -0.28 4.85 0.34 6.12 1.04 -1.25 -4.23 113.70 120.30 3gtg s SER 543 Ca 0.13 -0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.26 3gtg s SER 543 Cb 0.10 -1.10 0.02 0.00 0.10 0.00 0.00 66.02 65.13 3gtg s SER 543 CO 0.04 0.18 0.56 0.00 0.98 0.00 0.00 173.24 175.00 3gtg s ILE 545 N -2.99 3.34 0.45 0.00 1.09 -1.26 -2.48 121.20 119.35 3gtg s ILE 545 Ca 0.26 -0.56 -0.24 0.00 -1.10 0.00 0.00 60.65 59.01 3gtg s ILE 545 Cb -0.02 -2.43 -0.09 0.00 -1.06 0.00 0.00 42.46 38.87 3gtg s ILE 545 CO 0.17 0.51 1.15 -1.54 -0.10 0.00 0.00 174.94 175.13 3gtg n SER 546 N 3.51 1.91 -0.10 3.58 3.41 0.43 -4.89 113.62 121.47 3gtg n SER 546 Ca -0.18 1.04 -0.17 0.00 -0.26 0.00 0.00 58.87 59.30 3gtg n SER 546 Cb 0.53 -1.44 -0.13 0.00 -0.26 0.00 0.00 64.21 62.90 3gtg n SER 546 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3gtg n VAL 547 N -0.55 1.54 0.00 -3.33 3.14 -1.26 -3.26 118.33 114.61 3gtg n VAL 547 Ca 0.09 -0.63 0.00 0.00 -2.96 0.00 0.00 64.34 60.84 3gtg n VAL 547 Cb 0.41 -1.35 0.00 0.00 -1.06 0.00 0.00 33.84 31.84 3gtg n VAL 547 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gtg n GLY 548 N 2.13 1.02 0.00 7.55 0.00 -1.26 -4.64 105.19 109.99 3gtg n GLY 548 Ca -0.41 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3gtg n GLY 548 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gtg n THR 549 N 2.70 0.00 -3.85 2.61 -1.04 -1.26 -4.96 114.28 108.48 3gtg n THR 549 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 3gtg n THR 549 Cb 0.00 -1.56 -0.13 0.00 -1.82 0.00 0.00 70.33 66.83 3gtg n THR 549 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3gtg s ASP 550 N -1.00 4.99 0.10 8.00 2.15 -1.26 -5.00 116.67 124.65 3gtg s ASP 550 Ca 0.00 -0.21 -0.32 0.00 0.43 0.00 0.00 52.55 52.44 3gtg s ASP 550 Cb 0.00 -1.88 -0.12 0.00 -0.30 0.00 0.00 42.92 40.61 3gtg s ASP 550 CO 0.00 -0.00 1.58 -0.65 -0.17 0.00 0.00 175.17 175.93 3gtg h PRO 551 N 7.99 -0.72 -0.14 4.34 0.11 -1.98 -3.37 132.00 138.25 3gtg h PRO 551 Ca -0.38 0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.71 3gtg h PRO 551 Cb 1.17 0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 3gtg h PRO 551 CO 0.59 -0.48 -0.21 0.00 -0.21 0.00 0.00 178.00 177.70 3gtg h MET 552 N -0.74 0.23 -0.03 1.05 -0.00 -1.99 -1.37 114.93 112.08 3gtg h MET 552 Ca -0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 3gtg h MET 552 Cb 0.73 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.30 3gtg h MET 552 CO -0.20 0.44 0.00 -2.30 -0.00 0.00 0.00 176.91 174.85 3gtg n PRO 553 N -4.20 0.33 -0.10 -0.10 -0.02 -1.26 -0.51 135.00 129.13 3gtg n PRO 553 Ca -0.01 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.29 3gtg n PRO 553 Cb 0.33 -1.01 -0.06 0.00 -0.02 0.00 0.00 33.50 32.73 3gtg n PRO 553 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3gtg n ILE 554 N -0.42 1.44 -0.22 4.25 2.08 -0.52 -4.38 119.36 121.58 3gtg n ILE 554 Ca 0.00 -0.11 -0.06 0.00 0.56 0.00 0.00 62.75 63.15 3gtg n ILE 554 Cb 0.01 -2.06 -0.00 0.00 -0.75 0.00 0.00 39.64 36.84 3gtg n ILE 554 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3gtg h ILE 555 N -0.92 0.13 0.00 1.39 1.08 -1.35 0.29 117.51 118.13 3gtg h ILE 555 Ca -0.34 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.12 3gtg h ILE 555 Cb 1.25 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 35.13 3gtg h ILE 555 CO -0.20 0.00 -0.07 0.74 -0.69 0.00 0.00 178.15 177.93 3gtg h THR 556 N -0.16 0.78 -0.34 -0.27 2.02 -1.08 -0.06 112.91 113.80 3gtg h THR 556 Ca 0.23 -0.27 -0.17 0.00 0.77 0.00 0.00 66.41 66.98 3gtg h THR 556 Cb 0.56 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3gtg h THR 556 CO -0.72 0.07 -0.44 0.15 0.37 0.00 0.00 175.52 174.95 3gtg h PHE 557 N 0.00 1.09 0.27 3.16 3.57 -0.71 -3.24 116.94 121.08 3gtg h PHE 557 Ca -0.00 -0.36 -0.01 0.00 3.53 0.00 0.00 57.97 61.13 3gtg h PHE 557 Cb 0.15 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.67 3gtg h PHE 557 CO 0.00 1.18 -0.13 -0.07 -2.23 0.00 0.00 178.31 177.06 3gtg h LEU 558 N 0.69 -0.30 0.00 0.59 3.38 0.42 -3.19 115.31 116.91 3gtg h LEU 558 Ca 0.04 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3gtg h LEU 558 Cb 1.05 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3gtg h LEU 558 CO 0.10 0.07 0.00 -1.54 0.09 0.00 0.00 178.44 177.17 3gtg n SER 559 N -5.09 0.00 -0.33 -0.43 3.41 -0.29 0.12 113.62 111.01 3gtg n SER 559 Ca -0.09 0.15 0.08 0.00 -0.26 0.00 0.00 58.87 58.75 3gtg n SER 559 Cb 0.26 -0.16 0.17 0.00 -0.26 0.00 0.00 64.21 64.22 3gtg n SER 559 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gtg n GLU 560 N -1.16 1.43 -3.04 4.33 1.02 -1.21 -4.80 120.64 117.21 3gtg n GLU 560 Ca 0.00 -2.93 -0.17 0.00 -0.02 0.00 0.00 57.16 54.04 3gtg n GLU 560 Cb 0.00 -1.56 -0.02 0.00 -0.02 0.00 0.00 31.44 29.85 3gtg n GLU 560 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3gtg n TRP 561 N -1.28 -1.17 -0.87 -0.32 7.02 0.32 -4.99 117.44 116.15 3gtg n TRP 561 Ca 0.17 -3.07 0.00 0.00 -1.02 0.00 0.00 57.50 53.58 3gtg n TRP 561 Cb 0.67 0.28 0.00 0.00 -2.42 0.00 0.00 31.31 29.83 3gtg n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3gtg n GLY 562 N 1.05 0.25 3.74 6.99 0.00 -1.26 -4.94 105.19 111.03 3gtg n GLY 562 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3gtg n GLY 562 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gtg s MET 563 N -1.02 4.53 -0.19 1.61 0.00 -1.24 -4.32 119.30 118.68 3gtg s MET 563 Ca 0.00 1.15 -0.15 0.00 0.00 0.00 0.00 55.69 56.69 3gtg s MET 563 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 34.83 31.41 3gtg s MET 563 CO 0.00 0.22 0.36 -1.21 0.00 0.00 0.00 175.02 174.39 3gtg s GLU 564 N 0.13 4.20 1.07 4.11 2.02 -0.28 -4.77 118.70 125.18 3gtg s GLU 564 Ca 0.41 0.17 -0.12 0.00 0.02 0.00 0.00 54.97 55.45 3gtg s GLU 564 Cb -0.21 -3.50 0.23 0.00 0.10 0.00 0.00 34.13 30.75 3gtg s GLU 564 CO 0.24 0.05 1.06 -2.14 0.02 0.00 0.00 175.26 174.50 3gtg s PRO 565 N 1.03 -0.19 0.19 0.39 0.02 -1.26 -1.82 135.00 133.36 3gtg s PRO 565 Ca 0.18 0.97 -0.06 0.00 0.02 0.00 0.00 61.00 62.11 3gtg s PRO 565 Cb -0.14 -1.63 0.10 0.00 0.02 0.00 0.00 34.50 32.84 3gtg s PRO 565 CO 0.07 -3.27 1.55 1.25 -0.33 0.00 0.00 177.00 176.27 3gtg h LEU 566 N -2.30 0.83 -1.16 -5.54 5.85 -1.90 -3.09 115.31 107.99 3gtg h LEU 566 Ca -0.56 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 57.81 3gtg h LEU 566 Cb 1.31 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3gtg h LEU 566 CO 0.49 1.09 0.00 1.05 -0.34 0.00 0.00 178.44 180.73 3gtg h GLU 567 N 0.66 0.00 -1.08 1.25 9.09 -1.92 -3.13 114.58 119.45 3gtg h GLU 567 Ca 0.07 0.00 -0.64 0.00 0.05 0.00 0.00 59.36 58.83 3gtg h GLU 567 Cb 0.89 0.00 -0.34 0.00 -1.65 0.00 0.00 28.75 27.65 3gtg h GLU 567 CO 0.08 0.00 0.26 -0.25 0.05 0.00 0.00 179.01 179.15 3gtg n ASP 568 N -2.64 6.62 -4.47 3.06 8.00 -1.17 -4.99 116.55 120.96 3gtg n ASP 568 Ca 0.01 -3.78 -0.36 0.00 0.71 0.00 0.00 54.79 51.37 3gtg n ASP 568 Cb 0.25 -0.76 -0.12 0.00 -0.02 0.00 0.00 41.12 40.47 3gtg n ASP 568 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3gtg s TYR 569 N -3.77 3.10 -0.58 1.24 5.04 -1.18 -4.86 117.35 116.34 3gtg s TYR 569 Ca 0.58 -0.35 -0.03 0.00 -2.44 0.00 0.00 57.07 54.83 3gtg s TYR 569 Cb 0.46 -2.22 0.15 0.00 0.35 0.00 0.00 41.96 40.71 3gtg s TYR 569 CO -0.06 -0.29 0.39 0.14 -1.34 0.00 0.00 175.55 174.40 3gtg s VAL 570 N 1.44 3.64 0.20 3.14 -7.23 -1.26 -5.00 120.40 115.33 3gtg s VAL 570 Ca 0.06 -2.77 -0.11 0.00 -1.81 0.00 0.00 61.98 57.34 3gtg s VAL 570 Cb -0.15 -3.40 0.12 0.00 0.56 0.00 0.00 36.38 33.51 3gtg s VAL 570 CO 0.04 -0.84 1.83 -0.65 -0.31 0.00 0.00 175.10 175.17 3gtg h PRO 571 N 7.25 0.73 0.00 4.82 0.11 -1.87 -1.07 132.00 141.96 3gtg h PRO 571 Ca -0.04 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3gtg h PRO 571 Cb 0.97 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 3gtg h PRO 571 CO 0.71 0.48 -0.06 1.12 -0.21 0.00 0.00 178.00 180.04 3gtg h HIS 572 N 0.75 0.00 0.08 0.65 2.07 -1.93 -2.98 115.15 113.79 3gtg h HIS 572 Ca 0.26 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.42 3gtg h HIS 572 Cb 0.03 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 29.98 3gtg h HIS 572 CO -0.05 0.06 -2.01 0.94 -3.07 0.00 0.00 177.93 173.80 3gtg n GLN 573 N -3.53 0.71 -3.41 5.12 7.27 -0.65 -4.76 117.38 118.13 3gtg n GLN 573 Ca -0.02 0.24 -0.44 0.00 0.07 0.00 0.00 57.00 56.85 3gtg n GLN 573 Cb 0.18 -1.70 -0.05 0.00 2.41 0.00 0.00 30.24 31.08 3gtg n GLN 573 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3gtg s SER 574 N -6.69 6.16 -0.18 1.69 0.01 -0.50 -4.94 113.70 109.25 3gtg s SER 574 Ca -0.19 -2.15 -0.15 0.00 1.31 0.00 0.00 55.95 54.77 3gtg s SER 574 Cb 0.07 -2.13 -0.10 0.00 0.21 0.00 0.00 66.02 64.06 3gtg s SER 574 CO 0.77 -0.70 -0.04 -0.81 0.41 0.00 0.00 173.24 172.87 3gtg n PRO 575 N 4.68 0.51 -1.18 12.44 -0.05 -1.26 -4.38 135.00 145.76 3gtg n PRO 575 Ca -0.03 0.52 -0.19 0.00 -0.05 0.00 0.00 63.50 63.75 3gtg n PRO 575 Cb 0.42 -1.69 -0.13 0.00 -0.05 0.00 0.00 33.50 32.05 3gtg n PRO 575 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3gtg n ASP 576 N -4.51 5.92 -4.12 3.54 8.00 -1.26 -4.83 116.55 119.28 3gtg n ASP 576 Ca -0.21 -2.69 -0.37 0.00 0.71 0.00 0.00 54.79 52.24 3gtg n ASP 576 Cb 0.49 -1.38 -0.11 0.00 -0.02 0.00 0.00 41.12 40.09 3gtg n ASP 576 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtg s ALA 577 N 0.33 3.20 0.04 2.24 0.00 -1.26 -4.39 121.76 121.92 3gtg s ALA 577 Ca 0.65 -2.59 -0.31 0.00 0.00 0.00 0.00 51.96 49.71 3gtg s ALA 577 Cb 0.32 -2.46 -0.07 0.00 0.00 0.00 0.00 23.12 20.91 3gtg s ALA 577 CO -0.07 -1.83 1.50 0.99 0.00 0.00 0.00 175.76 176.35 3gtg s THR 578 N 1.07 3.38 0.43 0.00 2.01 -0.31 -4.77 115.64 117.45 3gtg s THR 578 Ca 0.09 0.83 -0.02 0.00 0.31 0.00 0.00 61.69 62.90 3gtg s THR 578 Cb -0.23 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 3gtg s THR 578 CO -0.04 0.01 0.68 0.00 -0.69 0.00 0.00 174.62 174.58 3gtg s ARG 579 N 2.30 3.41 -0.09 4.92 1.70 -0.82 -0.13 118.95 130.24 3gtg s ARG 579 Ca 0.68 -0.14 -0.00 0.00 -0.47 0.00 0.00 55.73 55.80 3gtg s ARG 579 Cb -0.35 -2.52 0.02 0.00 -0.57 0.00 0.00 34.95 31.53 3gtg s ARG 579 CO 0.29 -0.10 -0.06 0.08 -1.08 0.00 0.00 175.30 174.43 3gtg s VAL 580 N -2.55 0.83 0.31 4.99 1.01 -0.58 -0.96 120.40 123.45 3gtg s VAL 580 Ca 0.45 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.31 3gtg s VAL 580 Cb -0.10 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 3gtg s VAL 580 CO 0.40 0.32 0.12 -0.36 0.00 0.00 0.00 175.10 175.58 3gtg s PHE 581 N 1.50 2.78 -0.24 5.22 0.40 -1.00 -0.88 117.98 125.75 3gtg s PHE 581 Ca -0.00 -0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 56.01 3gtg s PHE 581 Cb -0.13 -1.49 0.13 0.00 0.51 0.00 0.00 43.02 42.04 3gtg s PHE 581 CO -0.05 0.43 0.39 0.08 0.70 0.00 0.00 175.22 176.78 3gtg s VAL 582 N -2.35 -0.63 -1.79 -0.44 1.01 -0.32 -1.71 120.40 114.17 3gtg s VAL 582 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3gtg s VAL 582 Cb -0.05 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.53 3gtg s VAL 582 CO 0.22 -0.09 0.00 0.59 0.00 0.00 0.00 175.10 175.82 3gtg n ASN 583 N 5.37 -5.20 0.00 3.32 3.02 -0.16 -3.11 115.26 118.50 3gtg n ASN 583 Ca -0.04 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 3gtg n ASN 583 Cb 0.50 -4.28 0.00 0.00 -0.61 0.00 0.00 39.78 35.39 3gtg n ASN 583 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gtg n GLY 584 N -0.85 1.14 3.21 7.41 0.00 -1.26 -4.88 105.19 109.96 3gtg n GLY 584 Ca -0.19 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 3gtg n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtg s VAL 585 N -2.00 2.11 -0.53 1.61 1.01 -1.18 -4.81 120.40 116.61 3gtg s VAL 585 Ca 0.00 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 3gtg s VAL 585 Cb 0.00 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.59 3gtg s VAL 585 CO 0.00 0.55 1.19 0.86 0.00 0.00 0.00 175.10 177.70 3gtg s TRP 586 N 0.52 2.67 -0.52 5.22 -0.11 -1.26 -1.18 118.94 124.28 3gtg s TRP 586 Ca -0.14 0.56 0.02 0.00 1.22 0.00 0.00 56.10 57.76 3gtg s TRP 586 Cb -0.17 -4.47 0.55 0.00 -1.50 0.00 0.00 33.47 27.88 3gtg s TRP 586 CO 0.05 -1.49 1.89 0.72 -4.62 0.00 0.00 176.95 173.50 3gtg n HIS 587 N 8.26 2.95 -0.17 5.86 8.25 -0.06 -4.87 115.22 135.45 3gtg n HIS 587 Ca 0.11 -2.34 0.00 0.00 -0.26 0.00 0.00 57.72 55.23 3gtg n HIS 587 Cb 0.49 -1.09 0.00 0.00 1.12 0.00 0.00 29.99 30.51 3gtg n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtg n GLY 588 N -1.03 -0.93 3.29 -1.41 0.00 -1.25 -4.34 105.19 99.51 3gtg n GLY 588 Ca 0.58 -1.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.52 3gtg n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtg s VAL 589 N 0.00 1.56 0.15 1.61 1.01 -0.75 -1.53 120.40 122.45 3gtg s VAL 589 Ca 0.00 -1.86 0.08 0.00 0.00 0.00 0.00 61.98 60.20 3gtg s VAL 589 Cb 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3gtg s VAL 589 CO 0.00 -0.40 -0.18 -2.28 0.00 0.00 0.00 175.10 172.24 3gtg s HIS 590 N -2.21 1.73 -0.28 5.22 5.04 0.81 -1.12 115.29 124.48 3gtg s HIS 590 Ca 0.13 -0.48 0.02 0.00 -1.54 0.00 0.00 55.06 53.20 3gtg s HIS 590 Cb -0.05 -0.88 0.07 0.00 0.04 0.00 0.00 32.58 31.76 3gtg s HIS 590 CO 0.05 0.28 -0.06 1.03 -2.34 0.00 0.00 174.74 173.69 3gtg s ARG 591 N -2.67 2.13 0.00 2.88 0.52 -1.26 -1.16 118.95 119.39 3gtg s ARG 591 Ca 0.13 -1.44 0.00 0.00 -0.52 0.00 0.00 55.73 53.90 3gtg s ARG 591 Cb -0.06 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.41 3gtg s ARG 591 CO 0.06 -0.65 0.00 -1.71 0.02 0.00 0.00 175.30 173.02 3gtg n ASN 592 N 4.43 -0.83 -0.68 0.23 5.15 -1.26 -4.95 115.26 117.34 3gtg n ASN 592 Ca -0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 3gtg n ASN 592 Cb 0.42 -0.33 0.00 0.00 -0.53 0.00 0.00 39.78 39.34 3gtg n ASN 592 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3gtg n PRO 593 N -0.50 0.90 0.02 1.20 -0.04 -1.26 -3.93 135.00 131.39 3gtg n PRO 593 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 3gtg n PRO 593 Cb 0.21 -1.30 -0.07 0.00 -0.04 0.00 0.00 33.50 32.29 3gtg n PRO 593 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gtg h ALA 594 N 1.94 0.02 0.04 0.55 0.00 -2.01 -3.16 119.26 116.64 3gtg h ALA 594 Ca 0.00 -0.05 -0.37 0.00 0.00 0.00 0.00 54.91 54.49 3gtg h ALA 594 Cb 0.61 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3gtg h ALA 594 CO 0.00 -0.43 -2.21 0.54 0.00 0.00 0.00 179.25 177.15 3gtg n ARG 595 N -5.03 0.69 -0.21 0.00 1.74 -1.25 -4.10 116.66 108.50 3gtg n ARG 595 Ca -0.07 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3gtg n ARG 595 Cb 0.08 -1.62 0.08 0.00 -1.02 0.00 0.00 32.46 29.98 3gtg n ARG 595 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3gtg h LEU 596 N 0.02 -0.44 0.59 0.55 5.85 -1.74 0.20 115.31 120.34 3gtg h LEU 596 Ca -0.49 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 3gtg h LEU 596 Cb 2.02 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 43.37 3gtg h LEU 596 CO 0.01 -0.17 -0.45 -0.03 -0.34 0.00 0.00 178.44 177.46 3gtg h MET 597 N 0.05 -0.97 0.00 1.25 4.05 -1.77 -1.67 114.93 115.87 3gtg h MET 597 Ca 0.31 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.80 3gtg h MET 597 Cb 0.50 0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 3gtg h MET 597 CO -0.59 -0.65 0.00 1.49 0.23 0.00 0.00 176.91 177.39 3gtg h GLU 598 N -1.01 0.00 -0.68 0.39 4.57 -1.38 1.41 114.58 117.89 3gtg h GLU 598 Ca -0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3gtg h GLU 598 Cb 0.83 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 3gtg h GLU 598 CO 0.02 0.00 0.00 2.41 -1.18 0.00 0.00 179.01 180.26 3gtg n THR 599 N -2.86 1.21 -0.08 0.32 -1.04 0.59 -2.50 114.28 109.92 3gtg n THR 599 Ca -0.02 -1.06 -0.19 0.00 -2.04 0.00 0.00 64.05 60.75 3gtg n THR 599 Cb 0.12 0.40 -0.13 0.00 -1.82 0.00 0.00 70.33 68.91 3gtg n THR 599 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3gtg n LEU 600 N 1.42 2.83 0.10 -4.42 7.99 0.47 -4.24 117.00 121.15 3gtg n LEU 600 Ca 0.24 -0.02 -0.15 0.00 -0.01 0.00 0.00 56.01 56.06 3gtg n LEU 600 Cb 0.67 -0.96 -0.11 0.00 -0.11 0.00 0.00 43.42 42.91 3gtg n LEU 600 CO 0.18 0.91 0.01 0.03 -1.51 0.00 0.00 177.39 177.00 3gtg h ARG 601 N 0.02 0.31 -0.28 3.23 3.08 -1.22 -2.81 114.38 116.72 3gtg h ARG 601 Ca -0.53 -0.47 -0.03 0.00 0.07 0.00 0.00 59.98 59.02 3gtg h ARG 601 Cb 1.95 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 32.15 3gtg h ARG 601 CO -0.03 1.20 0.04 1.15 -1.07 0.00 0.00 179.97 181.25 3gtg h THR 602 N 0.11 1.15 -0.14 2.04 2.02 -1.73 -0.87 112.91 115.49 3gtg h THR 602 Ca -0.12 -0.56 -0.22 0.00 0.77 0.00 0.00 66.41 66.27 3gtg h THR 602 Cb 1.88 0.90 0.01 0.00 -1.74 0.00 0.00 68.15 69.20 3gtg h THR 602 CO 0.20 0.20 -0.79 -0.07 0.37 0.00 0.00 175.52 175.42 3gtg h LEU 603 N 0.40 0.91 -0.49 2.58 -0.00 -1.72 -3.12 115.31 113.87 3gtg h LEU 603 Ca 0.09 -0.60 -0.06 0.00 -0.00 0.00 0.00 57.88 57.31 3gtg h LEU 603 Cb 0.21 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.58 3gtg h LEU 603 CO 0.00 1.40 0.08 -0.09 -0.00 0.00 0.00 178.44 179.82 3gtg h ARG 604 N 0.51 0.82 -0.92 1.13 2.43 -1.34 -1.15 114.38 115.86 3gtg h ARG 604 Ca -0.05 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3gtg h ARG 604 Cb 1.42 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3gtg h ARG 604 CO 0.16 0.82 0.00 0.54 -1.51 0.00 0.00 179.97 179.98 3gtg n ARG 605 N -4.41 0.89 0.00 0.20 1.74 -0.34 -1.30 116.66 113.43 3gtg n ARG 605 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3gtg n ARG 605 Cb 0.26 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 3gtg n ARG 605 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3gtg n LYS 606 N 0.11 3.86 -0.03 5.56 4.81 -1.11 -3.30 118.16 128.06 3gtg n LYS 606 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3gtg n LYS 606 Cb 0.25 -0.47 0.00 0.00 0.02 0.00 0.00 35.03 34.83 3gtg n LYS 606 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gtg n GLY 607 N 0.94 0.39 0.36 3.14 0.00 -0.42 -4.78 105.19 104.82 3gtg n GLY 607 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3gtg n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gtg h ASP 608 N 0.00 -0.74 -3.36 1.61 3.32 -1.41 -3.39 116.42 112.45 3gtg h ASP 608 Ca 0.00 -0.01 -0.57 0.00 0.02 0.00 0.00 57.03 56.47 3gtg h ASP 608 Cb 0.00 0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.67 3gtg h ASP 608 CO 0.00 -0.45 -0.02 -0.63 -1.72 0.00 0.00 179.24 176.42 3gtg s ILE 609 N -5.44 5.11 -0.22 0.35 -1.09 -1.08 -4.96 121.20 113.87 3gtg s ILE 609 Ca -0.16 1.16 -0.42 0.00 -2.23 0.00 0.00 60.65 59.00 3gtg s ILE 609 Cb 0.02 -3.92 -0.18 0.00 -1.58 0.00 0.00 42.46 36.81 3gtg s ILE 609 CO 0.55 0.27 1.50 -3.20 -1.23 0.00 0.00 174.94 172.83 3gtg n ASN 610 N 3.92 1.45 0.00 3.58 2.85 -1.26 -4.18 115.26 121.62 3gtg n ASN 610 Ca -0.04 1.13 0.05 0.00 -0.11 0.00 0.00 54.58 55.61 3gtg n ASN 610 Cb 0.51 -1.03 0.21 0.00 1.24 0.00 0.00 39.78 40.71 3gtg n ASN 610 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3gtg n PRO 611 N 3.70 0.00 0.16 1.20 -0.02 -1.26 -1.34 135.00 137.44 3gtg n PRO 611 Ca 0.25 0.33 0.04 0.00 -2.02 0.00 0.00 63.50 62.11 3gtg n PRO 611 Cb 0.08 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.17 3gtg n PRO 611 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3gtg h GLU 612 N 0.00 0.00 -6.57 -0.52 4.81 -1.87 -3.31 114.58 107.11 3gtg h GLU 612 Ca 0.00 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.71 3gtg h GLU 612 Cb 0.17 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3gtg h GLU 612 CO 0.00 0.43 0.38 0.08 -0.73 0.00 0.00 179.01 179.17 3gtg s VAL 613 N -3.13 4.42 -0.04 0.32 1.01 -0.45 -4.98 120.40 117.54 3gtg s VAL 613 Ca 0.03 2.01 -0.03 0.00 0.00 0.00 0.00 61.98 63.99 3gtg s VAL 613 Cb 0.08 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 3gtg s VAL 613 CO 0.72 0.31 0.10 -0.94 0.00 0.00 0.00 175.10 175.29 3gtg s SER 614 N 0.02 5.88 -0.24 3.32 1.04 -1.14 -4.97 113.70 117.60 3gtg s SER 614 Ca 0.47 0.25 -0.03 0.00 0.48 0.00 0.00 55.95 57.13 3gtg s SER 614 Cb -0.24 -1.76 0.08 0.00 0.10 0.00 0.00 66.02 64.19 3gtg s SER 614 CO 0.30 0.32 0.07 -0.04 0.98 0.00 0.00 173.24 174.88 3gtg s MET 615 N -1.47 0.52 -0.46 4.02 -1.94 -1.26 -1.37 119.30 117.34 3gtg s MET 615 Ca 0.20 -0.58 -0.10 0.00 -1.71 0.00 0.00 55.69 53.50 3gtg s MET 615 Cb -0.12 -1.87 0.10 0.00 2.01 0.00 0.00 34.83 34.95 3gtg s MET 615 CO 0.10 -0.81 0.33 0.42 -0.01 0.00 0.00 175.02 175.06 3gtg s ILE 616 N 1.87 4.37 -0.15 2.53 1.09 -1.17 -4.98 121.20 124.76 3gtg s ILE 616 Ca 0.04 -1.59 -0.21 0.00 -1.10 0.00 0.00 60.65 57.79 3gtg s ILE 616 Cb -0.17 -3.79 -0.03 0.00 -1.06 0.00 0.00 42.46 37.42 3gtg s ILE 616 CO -0.18 -0.68 0.61 -0.60 -0.10 0.00 0.00 174.94 173.99 3gtg s ARG 617 N 1.42 4.29 -0.35 2.79 6.06 -1.26 -3.70 118.95 128.20 3gtg s ARG 617 Ca 0.04 0.64 0.03 0.00 -2.50 0.00 0.00 55.73 53.95 3gtg s ARG 617 Cb -0.25 -3.52 0.10 0.00 0.06 0.00 0.00 34.95 31.34 3gtg s ARG 617 CO 0.01 -0.08 0.07 0.34 -2.50 0.00 0.00 175.30 173.14 3gtg s ASP 618 N 0.98 4.81 0.12 -2.12 -1.08 -0.74 -4.89 116.67 113.74 3gtg s ASP 618 Ca 0.30 -2.17 -0.20 0.00 -0.52 0.00 0.00 52.55 49.97 3gtg s ASP 618 Cb -0.16 -1.65 -0.06 0.00 -1.46 0.00 0.00 42.92 39.60 3gtg s ASP 618 CO 0.12 -0.39 1.75 0.40 0.52 0.00 0.00 175.17 177.57 3gtg h ILE 619 N 6.57 0.96 0.00 4.11 1.08 -1.96 -0.28 117.51 127.98 3gtg h ILE 619 Ca -0.05 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3gtg h ILE 619 Cb 1.02 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 35.56 3gtg h ILE 619 CO 0.54 0.03 0.00 0.54 -0.69 0.00 0.00 178.15 178.57 3gtg n ARG 620 N -5.04 0.12 -0.00 2.37 1.74 -1.26 -2.72 116.66 111.87 3gtg n ARG 620 Ca -0.03 0.05 0.02 0.00 -0.77 0.00 0.00 57.85 57.12 3gtg n ARG 620 Cb 0.07 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 3gtg n ARG 620 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3gtg n GLU 621 N -1.43 3.93 -3.37 5.56 4.07 -1.14 -5.02 120.64 123.23 3gtg n GLU 621 Ca 0.08 -0.01 -0.17 0.00 -0.06 0.00 0.00 57.16 57.00 3gtg n GLU 621 Cb 0.27 -0.82 0.07 0.00 -0.06 0.00 0.00 31.44 30.90 3gtg n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3gtg n LYS 622 N -1.27 -4.06 -4.36 5.31 5.02 -0.16 -4.94 118.16 113.69 3gtg n LYS 622 Ca 0.00 0.83 -0.19 0.00 -2.02 0.00 0.00 58.31 56.93 3gtg n LYS 622 Cb 0.08 -5.73 -0.10 0.00 -0.02 0.00 0.00 35.03 29.26 3gtg n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gtg s GLU 623 N -4.94 1.40 -0.45 1.97 2.02 -0.91 -1.95 118.70 115.84 3gtg s GLU 623 Ca 0.25 -1.70 0.06 0.00 0.02 0.00 0.00 54.97 53.61 3gtg s GLU 623 Cb -0.04 -0.86 0.18 0.00 0.10 0.00 0.00 34.13 33.51 3gtg s GLU 623 CO 0.75 -0.01 0.60 -1.17 0.02 0.00 0.00 175.26 175.44 3gtg s LEU 624 N -3.35 -0.94 0.60 1.80 2.96 -0.13 -1.79 118.68 117.83 3gtg s LEU 624 Ca 0.28 -1.54 -0.17 0.00 -0.22 0.00 0.00 54.13 52.47 3gtg s LEU 624 Cb 0.04 1.45 -0.03 0.00 0.50 0.00 0.00 46.19 48.15 3gtg s LEU 624 CO 0.09 -0.14 1.11 -0.54 -1.32 0.00 0.00 176.35 175.56 3gtg s LYS 625 N 1.20 3.08 -0.02 1.98 1.02 -1.24 -2.38 119.74 123.38 3gtg s LYS 625 Ca 0.24 1.46 0.01 0.00 0.02 0.00 0.00 55.97 57.70 3gtg s LYS 625 Cb -0.04 -1.98 0.01 0.00 -0.52 0.00 0.00 37.83 35.31 3gtg s LYS 625 CO -0.07 -1.04 -0.02 0.42 -0.92 0.00 0.00 175.35 173.72 3gtg s ILE 626 N -2.11 0.27 -0.01 2.17 1.09 -0.70 -3.05 121.20 118.86 3gtg s ILE 626 Ca 0.69 -0.05 0.06 0.00 -1.10 0.00 0.00 60.65 60.25 3gtg s ILE 626 Cb -0.21 -0.29 -0.03 0.00 -1.06 0.00 0.00 42.46 40.87 3gtg s ILE 626 CO 0.35 0.12 -0.20 -0.36 -0.10 0.00 0.00 174.94 174.75 3gtg s PHE 627 N 0.49 2.51 0.00 3.97 0.40 -0.47 -0.99 117.98 123.89 3gtg s PHE 627 Ca -0.05 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 3gtg s PHE 627 Cb -0.08 -1.52 0.06 0.00 0.51 0.00 0.00 43.02 41.99 3gtg s PHE 627 CO -0.01 0.13 0.84 2.41 0.70 0.00 0.00 175.22 179.30 3gtg n THR 628 N 2.09 0.00 -2.61 0.64 -1.04 -1.26 -2.88 114.28 109.22 3gtg n THR 628 Ca -0.16 -0.14 -0.35 0.00 -2.04 0.00 0.00 64.05 61.36 3gtg n THR 628 Cb 0.52 0.39 -0.04 0.00 -1.82 0.00 0.00 70.33 69.37 3gtg n THR 628 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3gtg s ASP 629 N -0.78 6.68 -0.62 8.00 3.68 -1.26 -4.02 116.67 128.35 3gtg s ASP 629 Ca 0.05 1.92 -0.25 0.00 2.13 0.00 0.00 52.55 56.40 3gtg s ASP 629 Cb 0.05 -2.57 0.04 0.00 -1.45 0.00 0.00 42.92 39.00 3gtg s ASP 629 CO -0.02 -0.55 1.07 0.00 0.13 0.00 0.00 175.17 175.80 3gtg s ALA 630 N -1.86 3.03 0.00 3.66 0.00 -1.26 -4.17 121.76 121.15 3gtg s ALA 630 Ca 0.61 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.28 3gtg s ALA 630 Cb -0.17 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.02 3gtg s ALA 630 CO 0.22 -2.70 0.00 0.41 0.00 0.00 0.00 175.76 173.69 3gtg n GLY 631 N 5.20 0.35 3.52 0.00 0.00 -1.20 -4.63 105.19 108.43 3gtg n GLY 631 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3gtg n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gtg s ARG 632 N 0.00 3.79 -0.15 1.61 0.52 -1.26 -3.04 118.95 120.41 3gtg s ARG 632 Ca 0.00 -0.42 -0.22 0.00 -0.52 0.00 0.00 55.73 54.58 3gtg s ARG 632 Cb 0.00 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 3gtg s ARG 632 CO 0.00 -0.03 0.65 0.08 0.02 0.00 0.00 175.30 176.02 3gtg s VAL 633 N 1.20 5.03 0.37 3.52 1.01 -1.26 -0.43 120.40 129.84 3gtg s VAL 633 Ca 0.05 1.27 0.04 0.00 0.00 0.00 0.00 61.98 63.34 3gtg s VAL 633 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3gtg s VAL 633 CO 0.04 0.16 0.12 -0.72 0.00 0.00 0.00 175.10 174.69 3gtg s TYR 634 N 1.53 1.78 -0.11 5.22 -0.85 -1.04 -2.77 117.35 121.11 3gtg s TYR 634 Ca 0.32 -1.22 -0.21 0.00 -0.52 0.00 0.00 57.07 55.43 3gtg s TYR 634 Cb -0.16 -1.12 0.05 0.00 0.38 0.00 0.00 41.96 41.10 3gtg s TYR 634 CO 0.12 -0.27 0.52 -0.98 -1.52 0.00 0.00 175.55 173.42 3gtg s ARG 635 N -3.78 0.75 0.00 -3.49 1.70 0.33 -3.25 118.95 111.21 3gtg s ARG 635 Ca 0.29 0.38 0.00 0.00 -0.47 0.00 0.00 55.73 55.93 3gtg s ARG 635 Cb 0.05 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 3gtg s ARG 635 CO 0.15 -0.17 0.00 -2.30 -1.08 0.00 0.00 175.30 171.90 3gtg n PRO 636 N 1.92 0.00 -0.24 3.89 -0.02 -1.26 -2.55 135.00 136.74 3gtg n PRO 636 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3gtg n PRO 636 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 3gtg n PRO 636 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3gtg n LEU 637 N 0.00 0.00 -4.77 2.45 -0.00 -0.79 -2.47 117.00 111.43 3gtg n LEU 637 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.62 3gtg n LEU 637 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 3gtg n LEU 637 CO 0.00 0.00 0.87 -0.36 -0.00 0.00 0.00 177.39 177.90 3gtg s PHE 638 N -2.02 3.11 -0.10 1.47 2.99 -1.01 -2.16 117.98 120.26 3gtg s PHE 638 Ca 0.00 1.54 -0.02 0.00 0.00 0.00 0.00 56.93 58.44 3gtg s PHE 638 Cb 0.00 -3.46 -0.03 0.00 0.00 0.00 0.00 43.02 39.53 3gtg s PHE 638 CO 0.00 -1.38 -0.00 0.42 -0.00 0.00 0.00 175.22 174.25 3gtg s ILE 639 N -1.32 4.25 0.29 0.64 1.01 -0.56 -1.00 121.20 124.52 3gtg s ILE 639 Ca 0.54 -0.26 0.09 0.00 0.00 0.00 0.00 60.65 61.02 3gtg s ILE 639 Cb -0.33 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 3gtg s ILE 639 CO 0.42 0.59 0.05 -0.69 0.00 0.00 0.00 174.94 175.31 3gtg s VAL 640 N -0.68 3.36 -0.30 2.92 1.01 -0.71 -2.11 120.40 123.90 3gtg s VAL 640 Ca 0.11 -1.83 -0.16 0.00 0.00 0.00 0.00 61.98 60.10 3gtg s VAL 640 Cb -0.12 -2.91 0.18 0.00 0.00 0.00 0.00 36.38 33.53 3gtg s VAL 640 CO 0.02 -0.31 1.14 -0.70 0.00 0.00 0.00 175.10 175.25 3gtg s GLU 641 N -3.73 0.18 0.00 2.72 2.56 -0.35 -4.71 118.70 115.37 3gtg s GLU 641 Ca 0.33 0.35 0.04 0.00 0.00 0.00 0.00 54.97 55.70 3gtg s GLU 641 Cb -0.05 0.11 0.19 0.00 2.00 0.00 0.00 34.13 36.38 3gtg s GLU 641 CO 0.21 -0.05 0.96 -0.40 -0.56 0.00 0.00 175.26 175.42 3gtg n ASP 642 N 3.83 0.00 0.00 -1.70 5.75 -1.26 -3.51 116.55 119.66 3gtg n ASP 642 Ca -0.14 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 3gtg n ASP 642 Cb 0.56 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 3gtg n ASP 642 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3gtg n ASP 643 N -1.30 0.00 -4.67 -1.12 9.92 -1.26 -4.49 116.55 113.64 3gtg n ASP 643 Ca 0.02 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.89 3gtg n ASP 643 Cb 0.03 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.45 3gtg n ASP 643 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3gtg s GLU 644 N -1.79 4.21 -0.00 -1.24 -6.30 -1.23 -5.04 118.70 107.30 3gtg s GLU 644 Ca 0.00 0.44 -0.04 0.00 -2.50 0.00 0.00 54.97 52.87 3gtg s GLU 644 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 34.13 30.56 3gtg s GLU 644 CO 0.00 -0.13 0.61 1.03 0.02 0.00 0.00 175.26 176.79 3gtg h SER 645 N 7.39 -0.11 -0.54 -1.70 0.87 -1.88 -3.35 113.55 114.22 3gtg h SER 645 Ca -0.34 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 59.92 3gtg h SER 645 Cb 1.16 0.03 -0.16 0.00 -0.44 0.00 0.00 62.40 62.98 3gtg h SER 645 CO 0.74 -0.04 0.39 0.18 -0.53 0.00 0.00 176.83 177.57 3gtg n LEU 646 N -2.58 5.50 -2.72 2.23 4.77 -1.26 -4.48 117.00 118.46 3gtg n LEU 646 Ca -0.02 -2.87 -0.07 0.00 -0.03 0.00 0.00 56.01 53.02 3gtg n LEU 646 Cb 0.05 -0.79 0.07 0.00 -2.33 0.00 0.00 43.42 40.42 3gtg n LEU 646 CO 0.04 0.93 0.35 0.61 -1.33 0.00 0.00 177.39 178.00 3gtg n GLY 647 N -0.22 -0.38 7.00 -0.72 0.00 -1.26 -5.14 105.19 104.48 3gtg n GLY 647 Ca 0.33 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.72 3gtg n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3gtg n HIS 648 N 1.29 0.00 -4.03 1.61 1.44 -1.26 -4.49 115.22 109.78 3gtg n HIS 648 Ca 0.06 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.56 3gtg n HIS 648 Cb 0.67 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.61 3gtg n HIS 648 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 3gtg s LYS 649 N 0.00 0.75 0.23 -1.40 2.20 -1.26 -4.56 119.74 115.70 3gtg s LYS 649 Ca 0.00 -0.04 -0.06 0.00 -0.36 0.00 0.00 55.97 55.51 3gtg s LYS 649 Cb 0.00 -0.87 -0.02 0.00 -1.51 0.00 0.00 37.83 35.43 3gtg s LYS 649 CO 0.00 -0.15 0.29 -2.00 -0.36 0.00 0.00 175.35 173.13 3gtg s GLU 650 N 1.22 1.39 0.73 4.03 2.56 -1.25 -4.94 118.70 122.45 3gtg s GLU 650 Ca -0.06 -1.50 -0.13 0.00 0.00 0.00 0.00 54.97 53.28 3gtg s GLU 650 Cb -0.14 0.36 0.04 0.00 2.00 0.00 0.00 34.13 36.39 3gtg s GLU 650 CO -0.02 -0.52 1.12 -0.51 -0.56 0.00 0.00 175.26 174.77 3gtg s LEU 651 N -3.11 3.21 -0.18 2.70 1.43 -1.26 -1.21 118.68 120.27 3gtg s LEU 651 Ca 0.32 2.02 -0.19 0.00 -1.03 0.00 0.00 54.13 55.25 3gtg s LEU 651 Cb 0.03 -4.55 -0.16 0.00 0.03 0.00 0.00 46.19 41.55 3gtg s LEU 651 CO 0.12 -2.00 0.21 0.11 0.23 0.00 0.00 176.35 175.02 3gtg h LYS 652 N -0.57 0.00 -6.28 1.70 1.57 -1.78 -3.46 116.57 107.77 3gtg h LYS 652 Ca -0.45 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.66 3gtg h LYS 652 Cb 1.25 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.59 3gtg h LYS 652 CO 0.51 0.73 0.84 0.28 -0.57 0.00 0.00 179.45 181.24 3gtg n VAL 653 N -4.52 0.26 -4.02 0.50 0.31 -1.26 -4.98 118.33 104.61 3gtg n VAL 653 Ca -0.21 -0.05 -0.28 0.00 -0.01 0.00 0.00 64.34 63.80 3gtg n VAL 653 Cb 0.52 -1.37 -0.01 0.00 -0.91 0.00 0.00 33.84 32.06 3gtg n VAL 653 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gtg s ARG 654 N 2.53 2.24 0.17 5.55 1.81 -1.26 -3.61 118.95 126.37 3gtg s ARG 654 Ca 0.90 -2.11 -0.15 0.00 -1.72 0.00 0.00 55.73 52.66 3gtg s ARG 654 Cb -0.87 -2.00 0.05 0.00 -0.45 0.00 0.00 34.95 31.68 3gtg s ARG 654 CO 0.52 -0.62 1.82 -0.22 -0.68 0.00 0.00 175.30 176.13 3gtg h LYS 655 N 0.79 0.65 -0.73 3.54 3.64 -1.36 -1.85 116.57 121.25 3gtg h LYS 655 Ca -0.37 -0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.10 3gtg h LYS 655 Cb 1.31 -0.14 -0.14 0.00 -0.41 0.00 0.00 32.23 32.85 3gtg h LYS 655 CO 0.59 0.44 -0.26 0.78 -2.27 0.00 0.00 179.45 178.74 3gtg h GLY 656 N 0.66 0.29 1.00 5.01 0.00 -1.82 0.30 103.07 108.52 3gtg h GLY 656 Ca 0.18 0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.86 3gtg h GLY 656 CO -0.04 -0.26 0.65 0.45 0.00 0.00 0.00 176.54 177.34 3gtg h HIS 657 N -0.05 1.22 -0.21 5.60 3.86 -1.67 -2.12 115.15 121.77 3gtg h HIS 657 Ca 0.32 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.53 3gtg h HIS 657 Cb 0.56 -0.41 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3gtg h HIS 657 CO -0.64 0.75 0.01 0.97 0.86 0.00 0.00 177.93 179.89 3gtg h ILE 658 N 1.30 1.24 -0.44 2.45 6.09 0.28 -2.62 117.51 125.82 3gtg h ILE 658 Ca 0.37 -0.83 -0.08 0.00 -1.37 0.00 0.00 64.86 62.95 3gtg h ILE 658 Cb -0.11 1.37 -0.02 0.00 0.47 0.00 0.00 36.82 38.53 3gtg h ILE 658 CO -0.09 0.26 -0.06 0.00 -3.07 0.00 0.00 178.15 175.18 3gtg h ALA 659 N 0.81 1.06 0.00 0.18 0.00 -0.68 0.90 119.26 121.53 3gtg h ALA 659 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3gtg h ALA 659 Cb 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3gtg h ALA 659 CO 0.01 0.58 0.00 1.63 0.00 0.00 0.00 179.25 181.47 3gtg n LYS 660 N -4.19 0.08 -0.02 0.00 5.02 -0.82 -0.55 118.16 117.68 3gtg n LYS 660 Ca 0.02 0.39 -0.13 0.00 -2.02 0.00 0.00 58.31 56.57 3gtg n LYS 660 Cb 0.33 -1.67 -0.14 0.00 -0.02 0.00 0.00 35.03 33.53 3gtg n LYS 660 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3gtg n LEU 661 N -1.82 1.49 0.05 -0.35 4.77 0.19 -4.04 117.00 117.30 3gtg n LEU 661 Ca 0.02 0.30 -0.04 0.00 -0.03 0.00 0.00 56.01 56.26 3gtg n LEU 661 Cb 0.14 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 40.87 3gtg n LEU 661 CO 0.13 0.57 -0.01 0.24 -1.33 0.00 0.00 177.39 177.00 3gtg h MET 662 N 0.02 0.00 -0.07 3.23 2.86 -0.73 -2.97 114.93 117.27 3gtg h MET 662 Ca -0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 3gtg h MET 662 Cb 2.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.69 3gtg h MET 662 CO 0.07 0.66 0.00 0.00 1.06 0.00 0.00 176.91 178.70 3gtg n ALA 663 N -2.38 2.11 -0.10 6.32 0.00 0.29 -0.68 120.51 126.07 3gtg n ALA 663 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 3gtg n ALA 663 Cb 0.90 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.26 3gtg n ALA 663 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3gtg n THR 664 N -0.42 1.17 1.13 0.00 -1.04 -1.13 -4.14 114.28 109.85 3gtg n THR 664 Ca 0.00 -0.40 0.12 0.00 -2.04 0.00 0.00 64.05 61.73 3gtg n THR 664 Cb 0.02 -1.39 0.20 0.00 -1.82 0.00 0.00 70.33 67.33 3gtg n THR 664 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3gtg n GLU 665 N -3.36 1.85 -0.08 -2.82 1.02 -0.71 -3.04 120.64 113.51 3gtg n GLU 665 Ca -0.38 -1.42 -0.06 0.00 -0.02 0.00 0.00 57.16 55.28 3gtg n GLU 665 Cb 0.86 -1.47 -0.14 0.00 -0.02 0.00 0.00 31.44 30.67 3gtg n GLU 665 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3gtg n TYR 666 N 0.67 0.00 -0.25 -0.32 9.36 0.14 -4.63 117.16 122.13 3gtg n TYR 666 Ca 0.14 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.31 3gtg n TYR 666 Cb 0.50 -0.80 0.09 0.00 -0.63 0.00 0.00 39.34 38.50 3gtg n TYR 666 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 3gtg h GLN 667 N 0.00 1.10 -1.65 2.98 -0.00 -1.70 -1.79 115.11 114.05 3gtg h GLN 667 Ca -0.41 -0.22 -0.32 0.00 -0.00 0.00 0.00 58.65 57.70 3gtg h GLN 667 Cb 1.90 -0.17 -0.13 0.00 0.00 0.00 0.00 27.48 29.09 3gtg h GLN 667 CO 0.02 0.93 0.36 -0.40 0.00 0.00 0.00 178.83 179.74 3gtg n ASP 668 N -4.26 6.36 0.02 -0.69 5.68 -1.17 -3.98 116.55 118.50 3gtg n ASP 668 Ca 0.06 -3.02 -0.00 0.00 -0.50 0.00 0.00 54.79 51.32 3gtg n ASP 668 Cb 0.22 -1.10 -0.00 0.00 -1.14 0.00 0.00 41.12 39.09 3gtg n ASP 668 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 3gtg n ILE 669 N 0.58 0.58 0.00 2.12 5.41 -0.67 -5.04 119.36 122.34 3gtg n ILE 669 Ca 0.31 0.18 0.00 0.00 1.00 0.00 0.00 62.75 64.24 3gtg n ILE 669 Cb 0.58 -1.55 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 3gtg n ILE 669 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3gtg n GLU 670 N -3.24 0.00 -0.62 0.38 4.07 -1.24 -4.82 120.64 115.16 3gtg n GLU 670 Ca -0.01 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.76 3gtg n GLU 670 Cb 0.28 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.59 3gtg n GLU 670 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3gtg n GLY 671 N 5.00 1.60 2.07 8.31 0.00 -1.26 -4.72 105.19 116.19 3gtg n GLY 671 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 3gtg n GLY 671 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtg n GLY 672 N 4.54 3.40 2.40 -0.02 0.00 -1.26 -4.57 105.19 109.69 3gtg n GLY 672 Ca 0.39 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 3gtg n GLY 672 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3gtg n PHE 673 N 1.76 2.70 -3.44 1.61 -0.00 -1.26 -4.88 117.46 113.95 3gtg n PHE 673 Ca 0.39 -2.57 -0.15 0.00 -0.00 0.00 0.00 57.45 55.12 3gtg n PHE 673 Cb 0.74 -1.30 0.01 0.00 -0.00 0.00 0.00 39.48 38.93 3gtg n PHE 673 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3gtg n GLU 674 N -0.42 -1.41 -1.57 -4.13 1.02 -1.26 -4.93 120.64 107.95 3gtg n GLU 674 Ca 0.53 1.01 -0.31 0.00 -0.02 0.00 0.00 57.16 58.38 3gtg n GLU 674 Cb 0.54 -4.28 -0.00 0.00 -0.02 0.00 0.00 31.44 27.68 3gtg n GLU 674 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3gtg n ASP 675 N -2.30 6.96 -2.48 1.62 8.00 -1.26 -4.89 116.55 122.20 3gtg n ASP 675 Ca -0.13 -3.47 -0.04 0.00 0.71 0.00 0.00 54.79 51.86 3gtg n ASP 675 Cb 0.59 -1.14 -0.04 0.00 -0.02 0.00 0.00 41.12 40.51 3gtg n ASP 675 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3gtg n VAL 676 N 0.17-12.57 -4.58 2.53 0.31 -1.26 -5.03 118.33 97.90 3gtg n VAL 676 Ca 0.50 2.75 -0.33 0.00 -0.01 0.00 0.00 64.34 67.24 3gtg n VAL 676 Cb 0.45 -6.32 -0.13 0.00 -0.91 0.00 0.00 33.84 26.93 3gtg n VAL 676 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3gtg s GLU 677 N -0.69 3.50 0.00 5.55 2.02 -1.26 -5.09 118.70 122.72 3gtg s GLU 677 Ca -0.22 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.15 3gtg s GLU 677 Cb 0.01 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.48 3gtg s GLU 677 CO 0.59 0.20 0.00 -0.85 0.02 0.00 0.00 175.26 175.23 3gtg n GLU 678 N 3.60 0.00 -2.60 1.61 0.00 -1.26 -5.12 120.64 116.88 3gtg n GLU 678 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 56.96 3gtg n GLU 678 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.97 3gtg n GLU 678 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 3gtg n TYR 679 N 0.00 -1.99 -0.88 -1.84 9.36 -1.26 -4.85 117.16 115.71 3gtg n TYR 679 Ca 0.00 0.75 0.00 0.00 3.32 0.00 0.00 57.90 61.97 3gtg n TYR 679 Cb 0.00 -3.37 0.00 0.00 -0.63 0.00 0.00 39.34 35.34 3gtg n TYR 679 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 3gtg n THR 680 N -1.77 0.00 -0.03 2.97 -2.24 -1.26 -4.82 114.28 107.13 3gtg n THR 680 Ca -0.01 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.62 3gtg n THR 680 Cb 0.52 -1.21 -0.09 0.00 -2.10 0.00 0.00 70.33 67.45 3gtg n THR 680 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3gtg h TRP 681 N 0.00 0.59 -0.83 4.78 2.91 -1.95 -3.29 115.95 118.16 3gtg h TRP 681 Ca 0.00 -0.25 0.23 0.00 1.13 0.00 0.00 58.89 60.00 3gtg h TRP 681 Cb 0.00 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.52 3gtg h TRP 681 CO 0.00 1.01 0.59 0.77 -1.03 0.00 0.00 178.44 179.78 3gtg h SER 682 N 0.00 0.04 -0.67 2.65 0.02 -1.95 0.24 113.55 113.89 3gtg h SER 682 Ca -0.02 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3gtg h SER 682 Cb 1.05 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 3gtg h SER 682 CO 0.08 0.02 0.26 0.77 -1.14 0.00 0.00 176.83 176.82 3gtg h SER 683 N 0.04 0.95 -0.02 3.07 4.64 -1.93 -2.55 113.55 117.75 3gtg h SER 683 Ca 0.40 -0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 61.44 3gtg h SER 683 Cb 1.52 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3gtg h SER 683 CO -0.02 0.85 -0.42 -0.07 -0.87 0.00 0.00 176.83 176.30 3gtg h LEU 684 N 1.01 0.58 0.00 5.97 3.38 -1.11 -2.57 115.31 122.57 3gtg h LEU 684 Ca 0.23 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gtg h LEU 684 Cb 0.21 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3gtg h LEU 684 CO -0.02 0.93 0.00 -0.11 0.09 0.00 0.00 178.44 179.33 3gtg n LEU 685 N -4.02 0.00 -0.00 1.67 7.94 -0.99 -2.55 117.00 119.05 3gtg n LEU 685 Ca -0.02 0.47 0.03 0.00 -1.11 0.00 0.00 56.01 55.38 3gtg n LEU 685 Cb 0.52 -0.47 -0.05 0.00 0.53 0.00 0.00 43.42 43.96 3gtg n LEU 685 CO 0.45 -0.15 -0.21 0.59 -1.11 0.00 0.00 177.39 176.96 3gtg n ASN 686 N -1.47 1.37 -0.69 1.96 3.02 -1.05 -4.44 115.26 113.96 3gtg n ASN 686 Ca 0.06 -0.44 0.13 0.00 -0.03 0.00 0.00 54.58 54.30 3gtg n ASN 686 Cb 0.22 1.11 0.31 0.00 -0.61 0.00 0.00 39.78 40.82 3gtg n ASN 686 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gtg n GLU 687 N -1.37 1.92 -2.21 3.52 1.02 -0.97 -4.50 120.64 118.06 3gtg n GLU 687 Ca 0.00 -1.39 -0.03 0.00 -0.02 0.00 0.00 57.16 55.73 3gtg n GLU 687 Cb 0.14 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 3gtg n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gtg n GLY 688 N 1.27 -0.92 0.00 0.62 0.00 -1.07 -5.01 105.19 100.08 3gtg n GLY 688 Ca 0.16 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.60 3gtg n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtg n LEU 689 N -0.74 0.00 -4.00 0.99 4.77 -1.06 -4.94 117.00 112.02 3gtg n LEU 689 Ca 0.04 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 3gtg n LEU 689 Cb 0.32 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.28 3gtg n LEU 689 CO 0.25 0.00 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.21 3gtg s VAL 690 N -0.95 0.51 -0.07 4.08 1.01 -1.26 -1.49 120.40 122.24 3gtg s VAL 690 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 3gtg s VAL 690 Cb 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 35.94 3gtg s VAL 690 CO 0.00 -0.00 -0.03 -0.70 0.00 0.00 0.00 175.10 174.37 3gtg s GLU 691 N -0.53 0.83 -0.34 2.72 2.12 -0.92 -4.70 118.70 117.87 3gtg s GLU 691 Ca -0.01 -0.02 -0.28 0.00 0.36 0.00 0.00 54.97 55.02 3gtg s GLU 691 Cb -0.04 -1.01 -0.03 0.00 0.26 0.00 0.00 34.13 33.30 3gtg s GLU 691 CO -0.00 -0.21 1.98 0.71 -0.54 0.00 0.00 175.26 177.19 3gtg s TYR 692 N 1.54 1.55 -0.22 5.30 4.12 -1.03 -1.89 117.35 126.73 3gtg s TYR 692 Ca -0.01 0.71 -0.09 0.00 0.02 0.00 0.00 57.07 57.70 3gtg s TYR 692 Cb -0.13 -4.02 -0.04 0.00 -1.52 0.00 0.00 41.96 36.25 3gtg s TYR 692 CO -0.04 -3.15 0.11 0.42 0.02 0.00 0.00 175.55 172.92 3gtg s ILE 693 N 8.02 5.07 0.41 2.71 -1.09 -1.04 -4.81 121.20 130.47 3gtg s ILE 693 Ca 0.86 0.07 0.01 0.00 -2.23 0.00 0.00 60.65 59.36 3gtg s ILE 693 Cb -0.24 -3.33 -0.01 0.00 -1.58 0.00 0.00 42.46 37.30 3gtg s ILE 693 CO 0.32 0.39 0.63 -0.62 -1.23 0.00 0.00 174.94 174.43 3gtg s ASP 694 N 0.81 5.98 0.13 3.58 3.68 -1.26 -0.51 116.67 129.08 3gtg s ASP 694 Ca 0.06 0.32 -0.20 0.00 2.13 0.00 0.00 52.55 54.86 3gtg s ASP 694 Cb -0.13 -1.67 -0.03 0.00 -1.45 0.00 0.00 42.92 39.64 3gtg s ASP 694 CO 0.02 -0.57 1.72 0.00 0.13 0.00 0.00 175.17 176.47 3gtg h ALA 695 N 0.53 0.16 0.76 3.66 0.00 -1.87 0.23 119.26 122.72 3gtg h ALA 695 Ca -0.47 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3gtg h ALA 695 Cb 1.24 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3gtg h ALA 695 CO 0.58 -0.44 -0.50 1.49 0.00 0.00 0.00 179.25 180.38 3gtg h GLU 696 N 0.05 -1.14 -0.36 0.00 4.57 -1.91 -2.06 114.58 113.73 3gtg h GLU 696 Ca 0.09 0.08 0.10 0.00 -1.18 0.00 0.00 59.36 58.45 3gtg h GLU 696 Cb 0.12 0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3gtg h GLU 696 CO -0.17 -0.76 0.50 1.49 -1.18 0.00 0.00 179.01 178.89 3gtg h GLU 697 N -1.19 0.00 0.00 1.92 4.81 -1.89 0.60 114.58 118.83 3gtg h GLU 697 Ca -0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3gtg h GLU 697 Cb 0.96 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 3gtg h GLU 697 CO 0.08 0.00 0.20 1.49 -0.73 0.00 0.00 179.01 180.05 3gtg h GLU 698 N 0.00 0.00 -0.14 1.92 4.81 -0.19 -2.72 114.58 118.26 3gtg h GLU 698 Ca 0.17 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.28 3gtg h GLU 698 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3gtg h GLU 698 CO -0.00 0.00 -0.43 0.93 -0.73 0.00 0.00 179.01 178.78 3gtg h GLU 699 N 0.00 0.32 -0.64 1.92 4.39 0.12 -3.26 114.58 117.44 3gtg h GLU 699 Ca 0.00 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3gtg h GLU 699 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3gtg h GLU 699 CO 0.00 0.70 0.00 -1.13 -1.16 0.00 0.00 179.01 177.42 3gtg n SER 700 N -4.01 3.76 -4.69 1.42 3.41 -1.03 -4.99 113.62 107.50 3gtg n SER 700 Ca -0.02 -2.03 -0.23 0.00 -0.26 0.00 0.00 58.87 56.33 3gtg n SER 700 Cb 0.50 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.95 3gtg n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3gtg s ILE 701 N -1.06 3.02 -0.43 -1.33 -0.00 -1.23 -5.09 121.20 115.08 3gtg s ILE 701 Ca 0.43 -1.80 0.02 0.00 -0.00 0.00 0.00 60.65 59.30 3gtg s ILE 701 Cb 0.23 -2.91 0.14 0.00 -0.00 0.00 0.00 42.46 39.92 3gtg s ILE 701 CO 0.29 -0.22 0.26 -0.22 -0.00 0.00 0.00 174.94 175.05 3gtg s LEU 702 N -3.78 2.29 -0.07 0.37 2.96 -1.26 -5.04 118.68 114.14 3gtg s LEU 702 Ca 0.36 -2.67 -0.28 0.00 -0.22 0.00 0.00 54.13 51.32 3gtg s LEU 702 Cb -0.03 -0.85 -0.02 0.00 0.50 0.00 0.00 46.19 45.79 3gtg s LEU 702 CO 0.21 -0.25 0.91 -0.63 -1.32 0.00 0.00 176.35 175.27 3gtg s ILE 703 N 0.35 4.88 0.83 6.68 1.01 -1.26 -3.08 121.20 130.61 3gtg s ILE 703 Ca 0.20 1.86 -0.12 0.00 0.00 0.00 0.00 60.65 62.60 3gtg s ILE 703 Cb -0.19 -4.23 0.09 0.00 0.01 0.00 0.00 42.46 38.14 3gtg s ILE 703 CO -0.03 0.11 1.10 0.00 0.00 0.00 0.00 174.94 176.11 3gtg s ALA 704 N 1.46 2.03 -0.15 9.38 0.00 -1.25 -4.86 121.76 128.38 3gtg s ALA 704 Ca 0.46 -0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.19 3gtg s ALA 704 Cb -0.19 -3.13 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 3gtg s ALA 704 CO 0.20 -1.93 -0.18 -0.12 0.00 0.00 0.00 175.76 173.74 3gtg n MET 705 N -3.57 0.34 -4.10 0.00 1.56 -1.26 -1.24 117.12 108.84 3gtg n MET 705 Ca 0.07 0.12 -0.33 0.00 -0.27 0.00 0.00 57.70 57.30 3gtg n MET 705 Cb 0.56 -1.12 -0.16 0.00 2.15 0.00 0.00 33.22 34.65 3gtg n MET 705 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3gtg s GLN 706 N -2.28 2.78 0.19 2.12 -0.21 -1.26 -4.60 119.66 116.39 3gtg s GLN 706 Ca -0.21 -0.98 -0.21 0.00 0.02 0.00 0.00 55.36 53.98 3gtg s GLN 706 Cb 0.07 -2.67 0.12 0.00 1.00 0.00 0.00 33.01 31.54 3gtg s GLN 706 CO 0.29 -0.31 1.58 -1.35 -2.12 0.00 0.00 175.29 173.38 3gtg h PRO 707 N 7.89 -0.15 0.27 2.91 0.11 -1.92 -1.58 132.00 139.54 3gtg h PRO 707 Ca -0.38 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 3gtg h PRO 707 Cb 1.11 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3gtg h PRO 707 CO 0.59 -0.10 -0.13 1.05 -0.21 0.00 0.00 178.00 179.20 3gtg h GLU 708 N -0.16 -0.36 -0.43 1.05 4.11 -1.88 -3.33 114.58 113.59 3gtg h GLU 708 Ca 0.23 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.69 3gtg h GLU 708 Cb 0.56 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3gtg h GLU 708 CO -0.70 -0.08 0.00 -0.25 0.07 0.00 0.00 179.01 178.05 3gtg n ASP 709 N -5.02 1.24 -0.31 3.06 8.00 -1.22 -3.10 116.55 119.19 3gtg n ASP 709 Ca -0.07 -2.07 0.04 0.00 0.71 0.00 0.00 54.79 53.40 3gtg n ASP 709 Cb 0.22 -0.26 0.03 0.00 -0.02 0.00 0.00 41.12 41.10 3gtg n ASP 709 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3gtg n LEU 710 N 0.01 1.67 -2.71 0.64 7.99 -0.59 -4.66 117.00 119.34 3gtg n LEU 710 Ca 0.05 -1.02 -0.07 0.00 -0.01 0.00 0.00 56.01 54.96 3gtg n LEU 710 Cb 0.24 -0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.61 3gtg n LEU 710 CO 0.05 0.34 0.37 -1.84 -1.51 0.00 0.00 177.39 174.79 3gtg n GLU 711 N 0.43 0.52 0.00 3.23 0.00 -1.18 -4.92 120.64 118.72 3gtg n GLU 711 Ca 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 57.16 55.89 3gtg n GLU 711 Cb 0.20 -0.95 0.00 0.00 0.00 0.00 0.00 31.44 30.69 3gtg n GLU 711 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3gtg n PRO 712 N 1.53 0.00 -2.64 3.44 -0.04 -1.23 -5.00 135.00 131.06 3gtg n PRO 712 Ca 0.06 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.46 3gtg n PRO 712 Cb 0.66 -0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.14 3gtg n PRO 712 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gtg n ALA 713 N -2.33 -0.96 -2.72 0.55 0.00 -1.26 -5.13 120.51 108.66 3gtg n ALA 713 Ca 0.00 -0.76 -0.32 0.00 0.00 0.00 0.00 53.44 52.36 3gtg n ALA 713 Cb 0.00 0.60 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 3gtg n ALA 713 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gtg s GLU 714 N -2.09 2.82 0.00 0.00 0.41 -1.26 -5.05 118.70 113.54 3gtg s GLU 714 Ca 0.10 -0.63 0.00 0.00 -0.41 0.00 0.00 54.97 54.03 3gtg s GLU 714 Cb -0.03 -2.70 0.00 0.00 -1.78 0.00 0.00 34.13 29.62 3gtg s GLU 714 CO 0.07 0.61 0.00 0.00 -0.49 0.00 0.00 175.26 175.45 3gtg n ALA 715 N 1.09 2.38 -0.06 5.21 0.00 -1.26 -5.03 120.51 122.84 3gtg n ALA 715 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 3gtg n ALA 715 Cb 0.52 0.33 -0.15 0.00 0.00 0.00 0.00 19.45 20.16 3gtg n ALA 715 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gtg n ASN 716 N -2.42 0.52 0.00 0.00 4.13 -1.26 -5.06 115.26 111.16 3gtg n ASN 716 Ca 0.00 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.49 3gtg n ASN 716 Cb 0.33 0.39 0.00 0.00 -1.54 0.00 0.00 39.78 38.96 3gtg n ASN 716 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3gtg n GLU 717 N -2.92 0.00 -0.25 3.52 1.02 -1.26 -4.97 120.64 115.78 3gtg n GLU 717 Ca -0.24 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 56.84 3gtg n GLU 717 Cb 1.10 -0.05 0.05 0.00 -0.02 0.00 0.00 31.44 32.52 3gtg n GLU 717 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3gtg h GLU 718 N 3.37 0.95 0.00 3.49 4.57 -2.01 -3.37 114.58 121.58 3gtg h GLU 718 Ca 0.00 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3gtg h GLU 718 Cb 0.00 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.40 3gtg h GLU 718 CO 0.00 0.70 0.00 -1.71 -1.18 0.00 0.00 179.01 176.82 3gtg n ASN 719 N -4.52 0.04 -4.81 1.04 5.15 -1.26 -5.11 115.26 105.79 3gtg n ASN 719 Ca 0.06 -1.00 -0.37 0.00 -0.60 0.00 0.00 54.58 52.67 3gtg n ASN 719 Cb 0.08 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.26 3gtg n ASN 719 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3gtg s ASP 720 N -0.00 7.12 0.04 1.20 1.01 -1.26 -5.03 116.67 119.74 3gtg s ASP 720 Ca 0.00 1.47 -0.30 0.00 0.71 0.00 0.00 52.55 54.43 3gtg s ASP 720 Cb 0.00 -2.44 -0.08 0.00 1.01 0.00 0.00 42.92 41.41 3gtg s ASP 720 CO 0.00 0.05 1.70 -0.76 0.21 0.00 0.00 175.17 176.38 3gtg s LEU 721 N -1.86 4.37 0.11 1.23 1.43 -1.26 -4.40 118.68 118.30 3gtg s LEU 721 Ca 0.42 2.47 -0.04 0.00 -1.03 0.00 0.00 54.13 55.95 3gtg s LEU 721 Cb -0.18 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 3gtg s LEU 721 CO 0.22 -0.92 0.11 1.51 0.23 0.00 0.00 176.35 177.50 3gtg s ASP 722 N 2.91 0.26 0.39 2.29 1.47 -1.26 -5.08 116.67 117.64 3gtg s ASP 722 Ca 0.76 -0.96 0.05 0.00 1.18 0.00 0.00 52.55 53.58 3gtg s ASP 722 Cb -0.39 0.31 -0.02 0.00 -0.34 0.00 0.00 42.92 42.48 3gtg s ASP 722 CO 0.33 -0.73 0.17 1.33 0.68 0.00 0.00 175.17 176.95 3gtg n VAL 723 N -0.06 0.00 -2.98 2.11 0.24 -1.26 -5.10 118.33 111.28 3gtg n VAL 723 Ca -0.10 -2.36 -0.42 0.00 -2.04 0.00 0.00 64.34 59.42 3gtg n VAL 723 Cb 0.63 0.91 -0.05 0.00 -1.47 0.00 0.00 33.84 33.85 3gtg n VAL 723 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gtg s ASP 724 N -3.45 6.54 0.33 -1.34 -1.08 -1.26 -4.95 116.67 111.46 3gtg s ASP 724 Ca 0.24 0.35 0.05 0.00 -0.52 0.00 0.00 52.55 52.67 3gtg s ASP 724 Cb 0.01 -2.39 0.70 0.00 -1.46 0.00 0.00 42.92 39.79 3gtg s ASP 724 CO 0.17 -0.70 1.88 -0.65 0.52 0.00 0.00 175.17 176.39 3gtg h PRO 725 N 8.44 0.80 0.00 4.34 0.11 -2.01 -2.65 132.00 141.03 3gtg h PRO 725 Ca -0.25 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 3gtg h PRO 725 Cb 1.10 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3gtg h PRO 725 CO 0.90 0.53 -0.00 0.00 -0.21 0.00 0.00 178.00 179.21 3gtg h ALA 726 N 1.57 1.00 -2.59 -0.75 0.00 -2.04 -3.45 119.26 112.99 3gtg h ALA 726 Ca 0.44 -0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.84 3gtg h ALA 726 Cb 0.53 -0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.38 3gtg h ALA 726 CO -0.20 0.00 0.44 0.15 0.00 0.00 0.00 179.25 179.65 3gtg s LYS 727 N -3.29 3.53 0.93 0.00 1.02 -1.00 -4.91 119.74 116.01 3gtg s LYS 727 Ca 0.06 1.63 -0.12 0.00 0.02 0.00 0.00 55.97 57.56 3gtg s LYS 727 Cb 0.06 -2.14 0.15 0.00 -0.52 0.00 0.00 37.83 35.38 3gtg s LYS 727 CO 0.65 -0.71 1.11 -0.98 -0.92 0.00 0.00 175.35 174.50 3gtg s ARG 728 N -3.10 1.02 -0.49 1.68 1.70 -1.26 -5.00 118.95 113.50 3gtg s ARG 728 Ca 0.69 0.51 -0.16 0.00 -0.47 0.00 0.00 55.73 56.30 3gtg s ARG 728 Cb -0.24 -1.81 0.09 0.00 -0.57 0.00 0.00 34.95 32.42 3gtg s ARG 728 CO 0.28 -2.33 0.43 0.42 -1.08 0.00 0.00 175.30 173.03 3gtg s ILE 729 N -3.09 5.22 -0.20 4.99 -1.09 -1.26 -5.04 121.20 120.72 3gtg s ILE 729 Ca 0.64 -1.15 -0.26 0.00 -2.23 0.00 0.00 60.65 57.64 3gtg s ILE 729 Cb -0.17 -4.19 -0.01 0.00 -1.58 0.00 0.00 42.46 36.52 3gtg s ILE 729 CO 0.56 -0.66 0.89 -0.60 -1.23 0.00 0.00 174.94 173.89 3gtg s ARG 730 N 1.67 4.26 0.25 2.79 3.52 -1.26 -4.95 118.95 125.23 3gtg s ARG 730 Ca 0.04 1.09 0.01 0.00 -0.13 0.00 0.00 55.73 56.74 3gtg s ARG 730 Cb -0.26 -3.61 0.61 0.00 -1.56 0.00 0.00 34.95 30.13 3gtg s ARG 730 CO 0.06 -0.46 1.27 0.28 -0.81 0.00 0.00 175.30 175.64 3gtg n VAL 731 N 5.04 -0.34 0.00 7.11 0.31 -1.26 -4.93 118.33 124.26 3gtg n VAL 731 Ca 0.07 1.79 0.00 0.00 -0.01 0.00 0.00 64.34 66.19 3gtg n VAL 731 Cb 0.48 -2.60 0.00 0.00 -0.91 0.00 0.00 33.84 30.80 3gtg n VAL 731 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3gtg n SER 732 N -5.16 0.00 -4.68 4.52 2.88 -1.26 -4.96 113.62 104.96 3gtg n SER 732 Ca 0.19 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.36 3gtg n SER 732 Cb 0.61 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.98 3gtg n SER 732 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 3gtg s HIS 733 N -1.74 3.34 0.00 0.66 -3.43 -1.26 -4.95 115.29 107.92 3gtg s HIS 733 Ca 0.00 0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.57 3gtg s HIS 733 Cb 0.00 -2.29 0.00 0.00 -1.43 0.00 0.00 32.58 28.86 3gtg s HIS 733 CO 0.00 0.10 0.00 0.72 -2.00 0.00 0.00 174.74 173.56 3gtg n HIS 734 N 4.16 0.00 -3.51 0.38 8.25 -1.26 -5.02 115.22 118.22 3gtg n HIS 734 Ca -0.14 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.98 3gtg n HIS 734 Cb 0.52 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.57 3gtg n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gtg s ALA 735 N -1.22 3.67 -0.39 -1.41 0.00 -1.26 -5.05 121.76 116.10 3gtg s ALA 735 Ca 0.00 -0.32 0.10 0.00 0.00 0.00 0.00 51.96 51.74 3gtg s ALA 735 Cb 0.00 -2.34 0.30 0.00 0.00 0.00 0.00 23.12 21.08 3gtg s ALA 735 CO 0.00 0.54 0.67 2.41 0.00 0.00 0.00 175.76 179.38 3gtg n THR 736 N 0.65 -0.38 -1.69 0.00 -1.04 -1.26 -4.85 114.28 105.70 3gtg n THR 736 Ca -0.06 -3.99 0.00 0.00 -2.04 0.00 0.00 64.05 57.96 3gtg n THR 736 Cb 0.52 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 3gtg n THR 736 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3gtg n THR 737 N 0.86 0.00 -0.86 12.58 -2.24 -1.26 -5.14 114.28 118.22 3gtg n THR 737 Ca 0.21 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.65 3gtg n THR 737 Cb 0.60 0.46 0.10 0.00 -2.10 0.00 0.00 70.33 69.39 3gtg n THR 737 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3gtg n PHE 738 N 0.00 -2.60 0.00 4.78 3.01 -1.26 -4.98 117.46 116.41 3gtg n PHE 738 Ca 0.00 0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.63 3gtg n PHE 738 Cb 0.56 -1.61 0.00 0.00 -0.01 0.00 0.00 39.48 38.42 3gtg n PHE 738 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3gtg n THR 739 N -3.37 0.00 -3.17 4.37 -2.24 -1.18 -4.81 114.28 103.89 3gtg n THR 739 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3gtg n THR 739 Cb 0.57 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3gtg n THR 739 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3gtg n HIS 740 N -2.09 0.00 -3.63 4.78 8.25 -1.24 -1.74 115.22 119.54 3gtg n HIS 740 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 3gtg n HIS 740 Cb 0.33 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.37 3gtg n HIS 740 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gtg s GLU 742 N 0.02 4.63 0.01 0.00 2.56 -0.37 -2.42 118.70 123.13 3gtg s GLU 742 Ca 0.04 1.30 -0.03 0.00 0.00 0.00 0.00 54.97 56.28 3gtg s GLU 742 Cb -0.04 -3.03 -0.02 0.00 2.00 0.00 0.00 34.13 33.04 3gtg s GLU 742 CO -0.07 0.41 1.05 0.82 -0.56 0.00 0.00 175.26 176.90 3gtg h ILE 743 N 2.90 0.00 -1.96 -3.70 1.08 -1.90 -3.44 117.51 110.50 3gtg h ILE 743 Ca -0.46 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.03 3gtg h ILE 743 Cb 1.20 0.00 -0.22 0.00 -3.07 0.00 0.00 36.82 34.73 3gtg h ILE 743 CO 0.66 0.00 0.06 -2.28 -0.69 0.00 0.00 178.15 175.90 3gtg s HIS 744 N -3.24 -1.01 0.23 1.37 2.46 -1.26 -4.87 115.29 108.97 3gtg s HIS 744 Ca -0.02 2.03 -0.12 0.00 0.47 0.00 0.00 55.06 57.43 3gtg s HIS 744 Cb 0.00 0.59 0.31 0.00 -0.13 0.00 0.00 32.58 33.35 3gtg s HIS 744 CO 0.05 -0.50 1.60 -1.35 -2.47 0.00 0.00 174.74 172.08 3gtg h PRO 745 N 6.77 -0.01 0.00 2.88 0.11 -1.89 0.55 132.00 140.42 3gtg h PRO 745 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3gtg h PRO 745 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gtg h PRO 745 CO 0.16 -0.00 0.70 0.66 -0.21 0.00 0.00 178.00 179.30 3gtg h SER 746 N -0.01 0.00 -0.12 -2.05 4.64 -1.98 -0.12 113.55 113.92 3gtg h SER 746 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3gtg h SER 746 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3gtg h SER 746 CO -0.78 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.41 3gtg n MET 747 N -2.00 1.53 0.15 4.77 2.81 0.18 -2.60 117.12 121.97 3gtg n MET 747 Ca -0.00 -0.80 0.13 0.00 -1.81 0.00 0.00 57.70 55.22 3gtg n MET 747 Cb 0.70 -1.36 0.43 0.00 -0.71 0.00 0.00 33.22 32.28 3gtg n MET 747 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 3gtg h ILE 748 N 1.61 0.00 -4.31 2.02 3.07 -1.24 -3.35 117.51 115.32 3gtg h ILE 748 Ca 0.00 -0.49 -0.47 0.00 1.55 0.00 0.00 64.86 65.45 3gtg h ILE 748 Cb 0.35 1.41 0.09 0.00 -0.27 0.00 0.00 36.82 38.40 3gtg h ILE 748 CO 0.00 0.00 0.35 -0.76 -1.05 0.00 0.00 178.15 176.69 3gtg s LEU 749 N -5.00 2.65 0.00 0.16 1.43 -1.07 -4.08 118.68 112.77 3gtg s LEU 749 Ca 0.07 0.70 0.05 0.00 -1.03 0.00 0.00 54.13 53.93 3gtg s LEU 749 Cb 0.10 -3.28 0.05 0.00 0.03 0.00 0.00 46.19 43.10 3gtg s LEU 749 CO 0.54 -1.74 0.46 0.61 0.23 0.00 0.00 176.35 176.44 3gtg n GLY 750 N -3.15 2.66 0.37 -3.19 0.00 -1.26 -1.17 105.19 99.45 3gtg n GLY 750 Ca 0.08 -2.29 0.01 0.00 0.00 0.00 0.00 46.02 43.81 3gtg n GLY 750 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3gtg h VAL 751 N 0.61 1.15 0.00 1.61 3.04 -1.90 -1.05 116.25 119.71 3gtg h VAL 751 Ca -0.34 -0.43 -0.19 0.00 -1.01 0.00 0.00 66.70 64.73 3gtg h VAL 751 Cb 1.28 -0.21 -0.03 0.00 -2.01 0.00 0.00 31.29 30.32 3gtg h VAL 751 CO 0.53 0.23 -1.22 0.00 -1.01 0.00 0.00 177.57 176.10 3gtg h ALA 752 N 1.43 0.64 -0.11 3.17 0.00 -1.93 -3.37 119.26 119.09 3gtg h ALA 752 Ca 0.41 -0.90 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 3gtg h ALA 752 Cb 0.05 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3gtg h ALA 752 CO -0.14 1.04 -0.40 0.00 0.00 0.00 0.00 179.25 179.74 3gtg h ALA 753 N 1.29 1.12 0.00 0.00 0.00 -1.80 -2.77 119.26 117.10 3gtg h ALA 753 Ca -0.13 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3gtg h ALA 753 Cb 1.66 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3gtg h ALA 753 CO 0.07 0.58 0.00 0.43 0.00 0.00 0.00 179.25 180.33 3gtg n SER 754 N -4.03 0.00 0.16 0.00 7.64 -0.45 -2.43 113.62 114.51 3gtg n SER 754 Ca -0.01 0.38 0.02 0.00 1.01 0.00 0.00 58.87 60.27 3gtg n SER 754 Cb 0.47 -0.45 0.36 0.00 -1.01 0.00 0.00 64.21 63.58 3gtg n SER 754 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3gtg h ILE 755 N 0.00 1.23 -3.78 0.44 1.08 -1.68 -3.41 117.51 111.40 3gtg h ILE 755 Ca 0.00 -1.10 -0.52 0.00 -0.39 0.00 0.00 64.86 62.84 3gtg h ILE 755 Cb 0.35 1.52 0.06 0.00 -3.07 0.00 0.00 36.82 35.68 3gtg h ILE 755 CO 0.00 0.32 0.67 -0.63 -0.69 0.00 0.00 178.15 177.82 3gtg s ILE 756 N -4.38 2.70 -0.19 -0.67 1.09 -1.02 -4.87 121.20 113.87 3gtg s ILE 756 Ca -0.04 0.67 -0.12 0.00 -1.10 0.00 0.00 60.65 60.07 3gtg s ILE 756 Cb 0.15 -3.43 -0.05 0.00 -1.06 0.00 0.00 42.46 38.07 3gtg s ILE 756 CO 0.73 0.15 0.20 -2.16 -0.10 0.00 0.00 174.94 173.76 3gtg s PRO 757 N -1.49 4.22 -1.07 2.79 0.04 -1.26 -4.56 135.00 133.66 3gtg s PRO 757 Ca 0.51 -0.09 -0.01 0.00 0.04 0.00 0.00 61.00 61.45 3gtg s PRO 757 Cb -0.40 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.71 3gtg s PRO 757 CO 0.51 0.26 0.90 1.19 0.04 0.00 0.00 177.00 179.90 3gtg n PHE 758 N 3.58 -2.00 0.31 0.56 3.01 -0.74 -4.84 117.46 117.34 3gtg n PHE 758 Ca -0.14 0.83 0.19 0.00 1.01 0.00 0.00 57.45 59.33 3gtg n PHE 758 Cb 0.52 -4.67 1.00 0.00 -0.01 0.00 0.00 39.48 36.32 3gtg n PHE 758 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3gtg h PRO 759 N -1.76 0.00 -0.51 -1.08 0.11 -1.85 0.76 132.00 127.67 3gtg h PRO 759 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3gtg h PRO 759 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3gtg h PRO 759 CO 0.44 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.86 3gtg n ASP 760 N -3.37 0.96 0.00 -2.05 5.75 -1.26 -2.65 116.55 113.93 3gtg n ASP 760 Ca -0.02 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 3gtg n ASP 760 Cb 0.13 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 3gtg n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3gtg n HIS 761 N -0.10 0.00 -3.98 2.11 8.25 0.26 -5.04 115.22 116.72 3gtg n HIS 761 Ca 0.03 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.18 3gtg n HIS 761 Cb 0.21 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.27 3gtg n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3gtg s ASN 762 N -0.27 5.97 0.15 0.41 0.02 -1.08 -3.73 114.94 116.40 3gtg s ASN 762 Ca 0.00 0.15 -0.30 0.00 -1.02 0.00 0.00 52.86 51.69 3gtg s ASN 762 Cb 0.00 -1.74 -0.08 0.00 0.02 0.00 0.00 41.25 39.45 3gtg s ASN 762 CO 0.00 0.18 1.28 -1.58 0.02 0.00 0.00 177.10 177.01 3gtg s GLN 763 N -2.38 4.40 0.10 -0.60 0.74 -1.26 -4.86 119.66 115.79 3gtg s GLN 763 Ca 0.31 1.97 -0.19 0.00 0.05 0.00 0.00 55.36 57.50 3gtg s GLN 763 Cb -0.13 -3.25 -0.04 0.00 1.10 0.00 0.00 33.01 30.70 3gtg s GLN 763 CO 0.24 -0.26 1.19 0.43 -0.55 0.00 0.00 175.29 176.34 3gtg n SER 764 N 3.17 -0.64 -0.35 6.67 7.64 -1.26 -1.70 113.62 127.15 3gtg n SER 764 Ca 0.08 1.34 0.24 0.00 1.01 0.00 0.00 58.87 61.53 3gtg n SER 764 Cb 0.44 -0.27 0.49 0.00 -1.01 0.00 0.00 64.21 63.86 3gtg n SER 764 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3gtg h PRO 765 N 0.00 0.36 -0.48 1.43 0.11 -1.98 1.35 132.00 132.80 3gtg h PRO 765 Ca 0.10 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.28 3gtg h PRO 765 Cb 0.25 -0.08 -0.10 0.00 0.11 0.00 0.00 31.00 31.18 3gtg h PRO 765 CO -0.57 0.24 -0.17 0.00 -0.21 0.00 0.00 178.00 177.29 3gtg h ARG 766 N 0.37 -0.05 -0.56 1.05 2.47 -1.64 1.53 114.38 117.54 3gtg h ARG 766 Ca 0.68 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 59.43 3gtg h ARG 766 Cb 1.66 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.95 3gtg h ARG 766 CO -0.45 -0.04 0.34 -0.91 0.56 0.00 0.00 179.97 179.47 3gtg h ASN 767 N -0.06 0.55 0.22 7.04 2.35 0.17 -1.73 115.58 124.13 3gtg h ASN 767 Ca 0.23 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.84 3gtg h ASN 767 Cb 0.41 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3gtg h ASN 767 CO -0.52 0.38 -0.57 0.74 -1.65 0.00 0.00 177.43 175.82 3gtg h THR 768 N 0.67 1.35 0.12 2.81 2.02 -0.71 -3.00 112.91 116.17 3gtg h THR 768 Ca 0.23 -1.87 -0.01 0.00 0.77 0.00 0.00 66.41 65.53 3gtg h THR 768 Cb 0.02 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 3gtg h THR 768 CO -0.10 0.56 -0.06 0.22 0.37 0.00 0.00 175.52 176.52 3gtg h TYR 769 N 0.27 -0.15 -0.85 3.16 3.20 0.26 -2.48 116.97 120.38 3gtg h TYR 769 Ca 0.00 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.05 3gtg h TYR 769 Cb 1.07 0.05 -0.11 0.00 1.54 0.00 0.00 36.73 39.29 3gtg h TYR 769 CO 0.03 0.20 0.38 0.37 -1.64 0.00 0.00 178.16 177.51 3gtg h GLN 770 N -0.53 0.46 -0.96 1.82 5.75 -1.38 -2.12 115.11 118.14 3gtg h GLN 770 Ca -0.02 -0.03 0.18 0.00 -0.15 0.00 0.00 58.65 58.63 3gtg h GLN 770 Cb 0.42 -0.10 -0.10 0.00 1.07 0.00 0.00 27.48 28.77 3gtg h GLN 770 CO 0.03 0.30 0.56 0.77 -2.65 0.00 0.00 178.83 177.84 3gtg h SER 771 N 0.47 0.71 0.33 -0.69 0.02 -1.30 0.82 113.55 113.92 3gtg h SER 771 Ca 0.50 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.52 3gtg h SER 771 Cb 0.83 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 3gtg h SER 771 CO -0.45 0.26 -0.11 0.00 -1.14 0.00 0.00 176.83 175.39 3gtg h ALA 772 N 1.62 1.31 0.04 3.77 0.00 -1.30 -3.33 119.26 121.38 3gtg h ALA 772 Ca 0.55 -0.10 -0.35 0.00 0.00 0.00 0.00 54.91 55.01 3gtg h ALA 772 Cb 0.83 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3gtg h ALA 772 CO -0.38 0.13 -2.11 -1.33 0.00 0.00 0.00 179.25 175.56 3gtg n MET 773 N -3.67 0.69 0.33 0.00 2.00 0.27 -3.82 117.12 112.92 3gtg n MET 773 Ca -0.02 0.19 0.05 0.00 0.00 0.00 0.00 57.70 57.93 3gtg n MET 773 Cb 0.22 -1.65 0.27 0.00 0.00 0.00 0.00 33.22 32.06 3gtg n MET 773 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3gtg h GLY 774 N 2.46 0.00 -2.20 3.03 0.00 -1.35 0.66 103.07 105.67 3gtg h GLY 774 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3gtg h GLY 774 CO 0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.85 3gtg n LYS 775 N -2.63 2.47 0.00 4.80 5.02 -1.25 -3.95 118.16 122.62 3gtg n LYS 775 Ca -0.01 -2.28 0.00 0.00 -2.02 0.00 0.00 58.31 54.01 3gtg n LYS 775 Cb 0.80 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 3gtg n LYS 775 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gtg n GLN 776 N 1.38 -0.10 -1.07 1.97 6.02 0.21 -4.77 117.38 121.01 3gtg n GLN 776 Ca 0.19 -0.20 -0.31 0.00 -0.01 0.00 0.00 57.00 56.67 3gtg n GLN 776 Cb 0.57 -0.61 0.12 0.00 1.02 0.00 0.00 30.24 31.34 3gtg n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gtg s ALA 777 N -0.03 1.97 -0.06 -1.58 0.00 0.30 0.12 121.76 122.47 3gtg s ALA 777 Ca 0.00 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.34 3gtg s ALA 777 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 3gtg s ALA 777 CO 0.00 -2.12 -0.08 1.41 0.00 0.00 0.00 175.76 174.97 3gtg s MET 778 N -4.82 2.71 0.00 0.00 1.75 -0.59 -4.46 119.30 113.89 3gtg s MET 778 Ca 0.63 -0.57 0.00 0.00 -1.25 0.00 0.00 55.69 54.50 3gtg s MET 778 Cb -0.19 -2.57 0.00 0.00 2.84 0.00 0.00 34.83 34.91 3gtg s MET 778 CO 0.57 0.66 0.00 0.41 -0.65 0.00 0.00 175.02 176.01 3gtg n GLY 779 N 2.20 1.43 3.48 2.11 0.00 -1.26 -3.71 105.19 109.43 3gtg n GLY 779 Ca -0.18 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 3gtg n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtg s VAL 780 N -1.06 4.26 -2.74 1.61 1.01 -0.88 -4.30 120.40 118.30 3gtg s VAL 780 Ca 0.00 -0.15 0.25 0.00 0.00 0.00 0.00 61.98 62.08 3gtg s VAL 780 Cb 0.00 -4.69 0.35 0.00 0.00 0.00 0.00 36.38 32.04 3gtg s VAL 780 CO 0.00 -1.44 1.45 2.22 0.00 0.00 0.00 175.10 177.32 3gtg n PHE 781 N 7.87 0.07 0.00 5.22 1.16 -1.26 -4.08 117.46 126.43 3gtg n PHE 781 Ca -0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 57.45 55.53 3gtg n PHE 781 Cb 0.46 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.33 3gtg n PHE 781 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3gtg n LEU 782 N 0.92 0.00 0.11 5.98 4.77 -1.26 -4.57 117.00 122.96 3gtg n LEU 782 Ca 0.16 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.91 3gtg n LEU 782 Cb 0.51 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.44 3gtg n LEU 782 CO 0.15 0.00 -0.28 0.74 -1.33 0.00 0.00 177.39 176.68 3gtg h THR 783 N 4.36 1.22 0.00 -5.08 2.02 -1.96 -3.30 112.91 110.17 3gtg h THR 783 Ca 0.00 -2.62 0.00 0.00 0.77 0.00 0.00 66.41 64.56 3gtg h THR 783 Cb 0.00 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 3gtg h THR 783 CO 0.00 0.80 0.00 -0.46 0.37 0.00 0.00 175.52 176.23 3gtg n ASN 784 N -3.76 0.14 0.27 4.18 6.94 -1.26 -4.08 115.26 117.69 3gtg n ASN 784 Ca -0.19 -0.64 0.17 0.00 -0.02 0.00 0.00 54.58 53.90 3gtg n ASN 784 Cb 1.05 -0.07 0.91 0.00 -2.36 0.00 0.00 39.78 39.31 3gtg n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 3gtg h TYR 785 N 0.30 0.00 -0.00 -2.53 -0.00 -1.92 -0.35 116.97 112.47 3gtg h TYR 785 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3gtg h TYR 785 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.80 3gtg h TYR 785 CO 0.00 0.00 -0.03 -1.71 -0.00 0.00 0.00 178.16 176.42 3gtg n ASN 786 N -2.72 0.05 0.00 0.10 5.15 -1.26 -3.97 115.26 112.62 3gtg n ASN 786 Ca -0.02 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 3gtg n ASN 786 Cb 0.12 -0.34 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 3gtg n ASN 786 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3gtg n VAL 787 N -1.36 0.00 -2.82 3.44 0.31 -0.20 -5.06 118.33 112.64 3gtg n VAL 787 Ca 0.11 -0.20 -0.36 0.00 -0.01 0.00 0.00 64.34 63.88 3gtg n VAL 787 Cb 0.29 0.92 -0.06 0.00 -0.91 0.00 0.00 33.84 34.08 3gtg n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gtg s ARG 788 N -0.47 4.51 -0.63 5.55 0.52 -0.84 -5.01 118.95 122.57 3gtg s ARG 788 Ca 0.00 1.25 0.05 0.00 -0.52 0.00 0.00 55.73 56.52 3gtg s ARG 788 Cb 0.00 -2.75 0.20 0.00 0.52 0.00 0.00 34.95 32.93 3gtg s ARG 788 CO 0.00 0.26 0.56 -1.33 0.02 0.00 0.00 175.30 174.81 3gtg n MET 789 N 0.45 1.77 -4.31 3.54 2.81 -1.26 -4.93 117.12 115.20 3gtg n MET 789 Ca 0.02 -4.29 -0.31 0.00 -1.81 0.00 0.00 57.70 51.31 3gtg n MET 789 Cb 0.51 -2.12 -0.10 0.00 -0.71 0.00 0.00 33.22 30.80 3gtg n MET 789 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3gtg s ASP 790 N -1.59 4.51 -0.36 7.83 -4.77 -1.26 -4.94 116.67 116.09 3gtg s ASP 790 Ca 0.32 -0.29 -0.27 0.00 -3.30 0.00 0.00 52.55 49.01 3gtg s ASP 790 Cb 0.05 -0.94 -0.06 0.00 -1.09 0.00 0.00 42.92 40.87 3gtg s ASP 790 CO -0.12 0.21 2.31 -0.89 0.70 0.00 0.00 175.17 177.38 3gtg s THR 791 N -1.15 3.01 0.00 2.11 2.01 -1.26 -3.77 115.64 116.59 3gtg s THR 791 Ca 0.20 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.21 3gtg s THR 791 Cb -0.11 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.38 3gtg s THR 791 CO 0.12 -0.02 0.00 0.23 -0.69 0.00 0.00 174.62 174.26 3gtg n MET 792 N 8.89 0.00 0.00 4.92 2.81 -1.26 -4.85 117.12 127.63 3gtg n MET 792 Ca 0.33 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 3gtg n MET 792 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.01 3gtg n MET 792 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gtg n ALA 793 N -0.82 0.00 -3.29 3.04 0.00 -1.22 -4.88 120.51 113.33 3gtg n ALA 793 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3gtg n ALA 793 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 3gtg n ALA 793 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3gtg s ASN 794 N 0.00 1.50 0.30 0.00 0.02 -1.26 -2.30 114.94 113.19 3gtg s ASN 794 Ca 0.00 -0.24 0.03 0.00 -1.02 0.00 0.00 52.86 51.63 3gtg s ASN 794 Cb 0.00 -0.58 -0.06 0.00 0.02 0.00 0.00 41.25 40.63 3gtg s ASN 794 CO 0.00 0.04 0.08 -0.63 0.02 0.00 0.00 177.10 176.61 3gtg s ILE 795 N 0.49 0.89 -0.33 0.60 1.09 -1.26 -4.27 121.20 118.41 3gtg s ILE 795 Ca -0.09 -2.00 -0.06 0.00 -1.10 0.00 0.00 60.65 57.40 3gtg s ILE 795 Cb -0.13 -2.71 0.04 0.00 -1.06 0.00 0.00 42.46 38.60 3gtg s ILE 795 CO 0.02 0.00 0.08 -0.22 -0.10 0.00 0.00 174.94 174.72 3gtg s LEU 796 N -3.42 4.22 0.23 2.97 2.96 -1.26 -0.70 118.68 123.68 3gtg s LEU 796 Ca 0.37 -1.14 -0.09 0.00 -0.22 0.00 0.00 54.13 53.04 3gtg s LEU 796 Cb 0.08 -1.84 0.34 0.00 0.50 0.00 0.00 46.19 45.27 3gtg s LEU 796 CO 0.15 -0.31 1.33 -1.22 -1.32 0.00 0.00 176.35 174.98 3gtg n TYR 797 N 4.78 0.23 -3.33 5.38 4.02 0.11 -3.53 117.16 124.82 3gtg n TYR 797 Ca -0.13 1.04 -0.26 0.00 -0.01 0.00 0.00 57.90 58.55 3gtg n TYR 797 Cb 0.45 -0.95 -0.09 0.00 -0.02 0.00 0.00 39.34 38.73 3gtg n TYR 797 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3gtg n TYR 798 N -5.35 -0.22 -1.95 -0.72 4.02 -1.26 -5.09 117.16 106.59 3gtg n TYR 798 Ca 0.12 -3.52 -0.42 0.00 -0.01 0.00 0.00 57.90 54.08 3gtg n TYR 798 Cb 0.40 -0.10 -0.03 0.00 -0.02 0.00 0.00 39.34 39.59 3gtg n TYR 798 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 3gtg s PRO 799 N -0.72 4.22 -0.02 -0.72 0.02 -1.23 -4.80 135.00 131.75 3gtg s PRO 799 Ca 0.34 2.34 0.06 0.00 0.02 0.00 0.00 61.00 63.76 3gtg s PRO 799 Cb 0.10 -3.16 -0.01 0.00 0.02 0.00 0.00 34.50 31.45 3gtg s PRO 799 CO -0.15 -0.60 -0.19 -0.65 -0.33 0.00 0.00 177.00 175.09 3gtg s GLN 800 N 1.14 1.56 0.11 5.54 -0.21 -1.17 -4.92 119.66 121.70 3gtg s GLN 800 Ca 0.70 -0.67 -0.33 0.00 0.02 0.00 0.00 55.36 55.08 3gtg s GLN 800 Cb -0.43 -1.49 -0.12 0.00 1.00 0.00 0.00 33.01 31.96 3gtg s GLN 800 CO 0.31 0.39 1.75 0.36 -2.12 0.00 0.00 175.29 175.98 3gtg n LYS 801 N 2.66 2.47 -0.90 2.91 2.85 -1.26 -4.66 118.16 122.22 3gtg n LYS 801 Ca -0.15 0.89 -0.33 0.00 -1.05 0.00 0.00 58.31 57.68 3gtg n LYS 801 Cb 0.53 -2.73 0.14 0.00 -0.65 0.00 0.00 35.03 32.32 3gtg n LYS 801 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 3gtg n PRO 802 N 4.87 -0.13 0.05 -1.58 -0.04 -1.26 -4.83 135.00 132.08 3gtg n PRO 802 Ca 0.18 0.03 -0.17 0.00 -0.04 0.00 0.00 63.50 63.50 3gtg n PRO 802 Cb 0.33 -2.33 -0.08 0.00 -0.04 0.00 0.00 33.50 31.38 3gtg n PRO 802 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3gtg h LEU 803 N -1.37 0.75 -9.03 1.53 3.38 -1.94 -3.43 115.31 105.20 3gtg h LEU 803 Ca -0.45 -0.60 -0.62 0.00 0.09 0.00 0.00 57.88 56.30 3gtg h LEU 803 Cb 1.29 -0.23 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 3gtg h LEU 803 CO 0.43 1.40 -0.54 -0.83 0.09 0.00 0.00 178.44 178.99 3gtg s GLY 804 N -4.35 1.93 0.08 0.83 0.00 -1.26 -1.65 107.32 102.90 3gtg s GLY 804 Ca -0.08 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 43.81 3gtg s GLY 804 CO 0.90 0.29 -0.11 -0.51 0.00 0.00 0.00 173.10 173.66 3gtg s THR 805 N 0.87 0.95 0.44 0.90 -4.23 0.16 -4.78 115.64 109.96 3gtg s THR 805 Ca 0.06 -1.41 -0.22 0.00 -1.18 0.00 0.00 61.69 58.93 3gtg s THR 805 Cb -0.13 -1.12 -0.09 0.00 1.34 0.00 0.00 72.50 72.50 3gtg s THR 805 CO 0.03 -0.39 1.05 -0.89 -0.54 0.00 0.00 174.62 173.88 3gtg s THR 806 N -1.79 3.70 0.34 3.99 2.01 -1.26 0.11 115.64 122.75 3gtg s THR 806 Ca -0.00 1.20 0.08 0.00 0.31 0.00 0.00 61.69 63.27 3gtg s THR 806 Cb -0.07 -3.57 0.31 0.00 0.01 0.00 0.00 72.50 69.19 3gtg s THR 806 CO 0.01 -0.09 1.87 0.03 -0.69 0.00 0.00 174.62 175.75 3gtg h ARG 807 N 2.08 0.72 0.00 4.92 2.47 -1.92 -2.96 114.38 119.70 3gtg h ARG 807 Ca -0.49 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.16 3gtg h ARG 807 Cb 1.22 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.37 3gtg h ARG 807 CO 0.61 0.48 -0.12 0.00 0.56 0.00 0.00 179.97 181.50 3gtg h ALA 808 N 1.59 0.97 -0.77 0.04 0.00 -1.91 -3.08 119.26 116.10 3gtg h ALA 808 Ca 0.45 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.26 3gtg h ALA 808 Cb 0.66 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3gtg h ALA 808 CO -0.21 0.15 0.51 0.52 0.00 0.00 0.00 179.25 180.22 3gtg h MET 809 N 0.00 0.99 -0.43 0.00 2.86 -1.74 -2.89 114.93 113.72 3gtg h MET 809 Ca -0.00 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 3gtg h MET 809 Cb 0.80 -0.22 -0.05 0.00 0.06 0.00 0.00 31.60 32.18 3gtg h MET 809 CO 0.02 0.65 -0.26 -1.91 1.06 0.00 0.00 176.91 176.47 3gtg n GLU 810 N -4.43 -0.19 -0.05 1.72 4.07 -1.17 -1.17 120.64 119.43 3gtg n GLU 810 Ca 0.09 0.82 0.05 0.00 -0.06 0.00 0.00 57.16 58.06 3gtg n GLU 810 Cb 0.05 -1.22 0.20 0.00 -0.06 0.00 0.00 31.44 30.42 3gtg n GLU 810 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3gtg n TYR 811 N -4.15 0.12 0.61 4.31 4.02 -1.09 -1.26 117.16 119.72 3gtg n TYR 811 Ca 0.01 -0.06 0.07 0.00 -0.01 0.00 0.00 57.90 57.90 3gtg n TYR 811 Cb 0.11 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.41 3gtg n TYR 811 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3gtg n LEU 812 N -0.25 1.21 -3.12 7.72 4.77 -0.31 -5.00 117.00 122.01 3gtg n LEU 812 Ca 0.08 -0.69 -0.23 0.00 -0.03 0.00 0.00 56.01 55.14 3gtg n LEU 812 Cb 0.12 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3gtg n LEU 812 CO 0.06 0.25 0.00 0.29 -1.33 0.00 0.00 177.39 176.65 3gtg n LYS 813 N -0.51 -4.76 0.07 3.23 4.76 -0.33 -4.86 118.16 115.76 3gtg n LYS 813 Ca 0.05 0.82 -0.04 0.00 -2.87 0.00 0.00 58.31 56.27 3gtg n LYS 813 Cb 0.26 -5.67 0.17 0.00 -1.84 0.00 0.00 35.03 27.96 3gtg n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3gtg h PHE 814 N -1.37 0.35 -0.04 2.13 3.57 -1.76 -2.44 116.94 117.38 3gtg h PHE 814 Ca -0.51 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 60.89 3gtg h PHE 814 Cb 1.35 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 3gtg h PHE 814 CO 0.56 0.71 0.09 0.00 -2.23 0.00 0.00 178.31 177.44 3gtg h ARG 815 N 0.24 0.00 0.00 1.11 3.08 -1.89 -2.10 114.38 114.82 3gtg h ARG 815 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3gtg h ARG 815 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 3gtg h ARG 815 CO 0.07 0.00 -1.87 0.39 -1.07 0.00 0.00 179.97 177.50 3gtg n GLU 816 N -3.39 0.60 -3.40 0.04 4.71 -0.94 -4.61 120.64 113.65 3gtg n GLU 816 Ca -0.02 -0.17 -0.24 0.00 -0.01 0.00 0.00 57.16 56.72 3gtg n GLU 816 Cb 0.17 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 29.00 3gtg n GLU 816 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3gtg s LEU 817 N -4.32 0.57 0.00 -4.62 1.02 -0.83 -5.07 118.68 105.43 3gtg s LEU 817 Ca -0.06 -2.03 0.00 0.00 0.02 0.00 0.00 54.13 52.05 3gtg s LEU 817 Cb 0.14 0.01 0.00 0.00 0.02 0.00 0.00 46.19 46.36 3gtg s LEU 817 CO 0.87 -0.27 0.00 -0.81 0.02 0.00 0.00 176.35 176.16 3gtg n PRO 818 N 3.98 0.29 -0.89 1.29 -0.05 -0.96 -4.58 135.00 134.09 3gtg n PRO 818 Ca 0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 63.50 63.58 3gtg n PRO 818 Cb 0.41 0.00 -0.01 0.00 -0.05 0.00 0.00 33.50 33.85 3gtg n PRO 818 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3gtg n ALA 819 N -3.00 2.54 -3.00 0.55 0.00 -1.26 -2.07 120.51 114.27 3gtg n ALA 819 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.40 3gtg n ALA 819 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3gtg n ALA 819 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gtg n GLY 820 N 0.13 3.19 3.27 0.00 0.00 -1.24 -3.75 105.19 106.79 3gtg n GLY 820 Ca -0.05 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 3gtg n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gtg s GLN 821 N 1.72 0.42 0.00 1.61 -0.21 -1.08 -3.07 119.66 119.05 3gtg s GLN 821 Ca 0.00 0.67 -0.03 0.00 0.02 0.00 0.00 55.36 56.02 3gtg s GLN 821 Cb 0.00 0.09 -0.15 0.00 1.00 0.00 0.00 33.01 33.95 3gtg s GLN 821 CO 0.00 -0.11 2.26 0.09 -2.12 0.00 0.00 175.29 175.41 3gtg n ASN 822 N 3.60 3.02 -4.34 5.90 3.02 -1.26 -1.94 115.26 123.25 3gtg n ASN 822 Ca -0.19 -2.06 -0.35 0.00 -0.03 0.00 0.00 54.58 51.96 3gtg n ASN 822 Cb 0.56 -0.81 0.09 0.00 -0.61 0.00 0.00 39.78 39.01 3gtg n ASN 822 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gtg n ALA 823 N 2.68 -2.92 -2.52 5.41 0.00 -1.26 -4.39 120.51 117.51 3gtg n ALA 823 Ca 0.24 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 3gtg n ALA 823 Cb 0.52 -1.67 -0.09 0.00 0.00 0.00 0.00 19.45 18.21 3gtg n ALA 823 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gtg s ILE 824 N -2.18 5.15 -0.14 0.00 -1.09 -1.26 -0.53 121.20 121.15 3gtg s ILE 824 Ca 0.56 -0.14 -0.06 0.00 -2.23 0.00 0.00 60.65 58.78 3gtg s ILE 824 Cb -0.25 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 3gtg s ILE 824 CO 0.68 -0.21 0.06 0.54 -1.23 0.00 0.00 174.94 174.78 3gtg s VAL 825 N 2.02 4.82 -0.19 2.92 0.11 0.25 -0.90 120.40 129.43 3gtg s VAL 825 Ca 0.11 -0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 59.07 3gtg s VAL 825 Cb -0.17 -3.11 -0.03 0.00 -1.53 0.00 0.00 36.38 31.55 3gtg s VAL 825 CO 0.12 0.55 0.01 0.00 -3.33 0.00 0.00 175.10 172.45 3gtg s ALA 826 N -0.39 3.11 -0.78 1.54 0.00 0.40 0.58 121.76 126.22 3gtg s ALA 826 Ca 0.09 -0.91 -0.17 0.00 0.00 0.00 0.00 51.96 50.97 3gtg s ALA 826 Cb -0.12 -1.78 0.15 0.00 0.00 0.00 0.00 23.12 21.37 3gtg s ALA 826 CO 0.02 -0.03 0.86 0.42 0.00 0.00 0.00 175.76 177.03 3gtg s ILE 827 N 0.78 5.07 0.30 0.00 1.01 0.18 -0.51 121.20 128.03 3gtg s ILE 827 Ca 0.01 -1.69 -0.14 0.00 0.00 0.00 0.00 60.65 58.83 3gtg s ILE 827 Cb -0.14 -4.57 0.01 0.00 0.01 0.00 0.00 42.46 37.77 3gtg s ILE 827 CO 0.02 -1.21 0.60 0.00 0.00 0.00 0.00 174.94 174.35 3gtg s ALA 828 N 1.82 -0.42 -0.02 9.38 0.00 -0.81 -4.24 121.76 127.46 3gtg s ALA 828 Ca 0.20 -0.82 -0.21 0.00 0.00 0.00 0.00 51.96 51.14 3gtg s ALA 828 Cb -0.13 0.95 -0.29 0.00 0.00 0.00 0.00 23.12 23.65 3gtg s ALA 828 CO -0.04 -0.92 0.98 0.00 0.00 0.00 0.00 175.76 175.79 3gtg n TYR 830 N -4.13 0.00 -4.66 0.00 9.36 -1.26 -4.16 117.16 112.32 3gtg n TYR 830 Ca -0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.09 3gtg n TYR 830 Cb 0.79 -0.04 0.00 0.00 -0.63 0.00 0.00 39.34 39.45 3gtg n TYR 830 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3gtg n SER 831 N 1.09 0.00 -0.86 2.98 3.41 -1.26 -4.23 113.62 114.76 3gtg n SER 831 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3gtg n SER 831 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3gtg n SER 831 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gtg n GLY 832 N 0.00 0.75 0.10 5.00 0.00 -1.26 -4.94 105.19 104.84 3gtg n GLY 832 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 3gtg n GLY 832 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3gtg h TYR 833 N 0.25 0.34 -0.08 1.61 -1.99 -1.83 -3.26 116.97 112.00 3gtg h TYR 833 Ca -0.18 -0.25 -0.02 0.00 2.00 0.00 0.00 58.73 60.28 3gtg h TYR 833 Cb 1.43 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 40.13 3gtg h TYR 833 CO -0.04 1.23 0.03 0.27 -0.00 0.00 0.00 178.16 179.65 3gtg n ASN 834 N -3.44 2.15 -4.78 3.88 6.94 -1.26 -4.49 115.26 114.26 3gtg n ASN 834 Ca -0.09 -2.13 -0.37 0.00 -0.02 0.00 0.00 54.58 51.96 3gtg n ASN 834 Cb 1.01 -0.53 -0.06 0.00 -2.36 0.00 0.00 39.78 37.84 3gtg n ASN 834 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3gtg s GLN 835 N -0.87 4.08 -0.35 -3.83 0.74 -1.23 -3.76 119.66 114.45 3gtg s GLN 835 Ca 0.06 0.31 -0.00 0.00 0.05 0.00 0.00 55.36 55.77 3gtg s GLN 835 Cb 0.05 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.83 3gtg s GLN 835 CO 0.02 0.45 0.29 0.39 -0.55 0.00 0.00 175.29 175.88 3gtg n GLU 836 N 2.75 -1.93 -3.08 1.67 -0.58 -1.26 -4.17 120.64 114.03 3gtg n GLU 836 Ca -0.12 0.24 -0.17 0.00 -0.42 0.00 0.00 57.16 56.69 3gtg n GLU 836 Cb 0.52 -3.45 0.04 0.00 -0.57 0.00 0.00 31.44 27.99 3gtg n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3gtg n ASP 837 N -1.24 -5.01 -4.69 1.62 9.92 -1.26 -5.02 116.55 110.87 3gtg n ASP 837 Ca -0.06 -0.31 -0.29 0.00 -0.53 0.00 0.00 54.79 53.60 3gtg n ASP 837 Cb 0.54 -3.71 -0.09 0.00 -0.64 0.00 0.00 41.12 37.22 3gtg n ASP 837 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3gtg s SER 838 N -3.05 4.08 0.14 -2.24 1.04 -1.26 -2.99 113.70 109.42 3gtg s SER 838 Ca 0.34 -1.38 -0.09 0.00 0.48 0.00 0.00 55.95 55.29 3gtg s SER 838 Cb -0.15 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 3gtg s SER 838 CO 0.42 -0.60 0.25 0.00 0.98 0.00 0.00 173.24 174.28 3gtg s MET 839 N -3.82 1.04 -0.12 4.02 0.23 0.19 -4.32 119.30 116.53 3gtg s MET 839 Ca 0.28 -1.09 -0.07 0.00 -1.03 0.00 0.00 55.69 53.78 3gtg s MET 839 Cb 0.06 0.36 -0.04 0.00 -1.53 0.00 0.00 34.83 33.68 3gtg s MET 839 CO 0.15 -0.36 0.13 0.42 -2.03 0.00 0.00 175.02 173.33 3gtg s ILE 840 N -3.93 5.45 -0.01 3.16 1.01 -0.66 0.30 121.20 126.53 3gtg s ILE 840 Ca 0.13 0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.97 3gtg s ILE 840 Cb 0.04 -3.38 0.01 0.00 0.01 0.00 0.00 42.46 39.14 3gtg s ILE 840 CO -0.04 0.61 -0.01 -0.32 0.00 0.00 0.00 174.94 175.17 3gtg s MET 841 N -0.95 0.19 -0.55 2.79 1.75 -0.44 -1.98 119.30 120.10 3gtg s MET 841 Ca 0.15 -0.04 -0.26 0.00 -1.25 0.00 0.00 55.69 54.29 3gtg s MET 841 Cb -0.12 -0.24 -0.07 0.00 2.84 0.00 0.00 34.83 37.24 3gtg s MET 841 CO 0.04 0.00 2.33 1.21 -0.65 0.00 0.00 175.02 177.95 3gtg s ASN 842 N 0.22 4.49 0.23 1.11 2.47 -0.79 -2.16 114.94 120.50 3gtg s ASN 842 Ca -0.02 0.83 -0.10 0.00 0.42 0.00 0.00 52.86 53.99 3gtg s ASN 842 Cb -0.04 -2.51 0.34 0.00 -1.45 0.00 0.00 41.25 37.59 3gtg s ASN 842 CO -0.01 -2.94 1.65 1.56 -3.72 0.00 0.00 177.10 173.64 3gtg h GLN 843 N 18.06 0.09 -0.56 0.43 1.08 -1.39 0.13 115.11 132.95 3gtg h GLN 843 Ca -0.21 -0.01 0.16 0.00 -1.45 0.00 0.00 58.65 57.15 3gtg h GLN 843 Cb 1.22 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.61 3gtg h GLN 843 CO 1.15 0.06 0.42 0.77 -0.95 0.00 0.00 178.83 180.28 3gtg h SER 844 N 0.10 0.00 0.07 1.46 0.02 -1.89 0.76 113.55 114.06 3gtg h SER 844 Ca 0.36 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.20 3gtg h SER 844 Cb 0.59 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.14 3gtg h SER 844 CO -0.60 0.00 -0.47 0.77 -1.14 0.00 0.00 176.83 175.38 3gtg h SER 845 N 0.00 0.22 -0.28 3.07 4.64 -1.20 -3.33 113.55 116.67 3gtg h SER 845 Ca 0.27 -0.95 0.08 0.00 -0.47 0.00 0.00 61.79 60.72 3gtg h SER 845 Cb 1.11 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3gtg h SER 845 CO -0.00 1.22 0.22 0.40 -0.87 0.00 0.00 176.83 177.80 3gtg h ILE 846 N -0.70 0.73 -0.23 0.95 2.04 0.88 0.73 117.51 121.91 3gtg h ILE 846 Ca -0.09 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 3gtg h ILE 846 Cb 1.33 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3gtg h ILE 846 CO 0.06 0.00 0.00 0.44 0.00 0.00 0.00 178.15 178.65 3gtg h ASP 847 N 0.00 0.40 -0.05 1.72 3.32 -1.10 -2.21 116.42 118.49 3gtg h ASP 847 Ca 0.13 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.89 3gtg h ASP 847 Cb 0.58 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 3gtg h ASP 847 CO -0.00 0.61 0.07 0.03 -1.72 0.00 0.00 179.24 178.22 3gtg h ARG 848 N 0.17 0.00 0.00 3.56 3.08 -0.98 -3.46 114.38 116.75 3gtg h ARG 848 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3gtg h ARG 848 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3gtg h ARG 848 CO 0.01 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 3gtg n GLY 849 N -1.29 1.89 3.71 0.04 0.00 -0.83 -5.09 105.19 103.61 3gtg n GLY 849 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3gtg n GLY 849 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gtg s LEU 850 N 0.00 4.37 -1.70 0.99 2.96 -1.22 -3.07 118.68 121.01 3gtg s LEU 850 Ca 0.00 2.57 -0.00 0.00 -0.22 0.00 0.00 54.13 56.47 3gtg s LEU 850 Cb 0.00 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.11 3gtg s LEU 850 CO 0.00 -0.85 0.05 0.49 -1.32 0.00 0.00 176.35 174.72 3gtg n PHE 851 N 4.60 -1.12 -2.89 5.38 0.99 -1.26 -4.67 117.46 118.49 3gtg n PHE 851 Ca 0.15 0.04 -0.40 0.00 -0.00 0.00 0.00 57.45 57.24 3gtg n PHE 851 Cb 0.39 -3.91 -0.06 0.00 -1.00 0.00 0.00 39.48 34.90 3gtg n PHE 851 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3gtg s ARG 852 N -5.11 4.68 0.27 -1.08 0.52 -1.17 -4.37 118.95 112.68 3gtg s ARG 852 Ca 0.03 1.29 0.04 0.00 -0.52 0.00 0.00 55.73 56.56 3gtg s ARG 852 Cb -0.01 -3.25 -0.06 0.00 0.52 0.00 0.00 34.95 32.15 3gtg s ARG 852 CO 0.03 0.54 0.02 -1.54 0.02 0.00 0.00 175.30 174.37 3gtg s SER 853 N -1.18 2.01 0.16 0.23 1.04 -1.19 -0.71 113.70 114.07 3gtg s SER 853 Ca 0.38 -1.28 0.02 0.00 0.48 0.00 0.00 55.95 55.55 3gtg s SER 853 Cb -0.24 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 65.88 3gtg s SER 853 CO 0.28 -0.55 0.16 0.18 0.98 0.00 0.00 173.24 174.29 3gtg n LEU 854 N -0.52 0.00 -3.41 2.42 4.77 0.13 -3.16 117.00 117.22 3gtg n LEU 854 Ca -0.04 -0.80 0.01 0.00 -0.03 0.00 0.00 56.01 55.16 3gtg n LEU 854 Cb 0.65 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3gtg n LEU 854 CO 0.39 -0.42 0.61 0.12 -1.33 0.00 0.00 177.39 176.76 3gtg s PHE 855 N -0.54 -0.68 0.17 -1.77 5.36 -0.45 -4.08 117.98 115.98 3gtg s PHE 855 Ca 0.12 1.18 0.11 0.00 -0.96 0.00 0.00 56.93 57.38 3gtg s PHE 855 Cb -0.01 0.41 -0.04 0.00 -0.34 0.00 0.00 43.02 43.03 3gtg s PHE 855 CO 0.07 -0.34 -0.24 -0.06 -1.46 0.00 0.00 175.22 173.20 3gtg s PHE 856 N 2.40 2.33 -0.41 10.12 0.40 -0.97 -1.23 117.98 130.62 3gtg s PHE 856 Ca -0.03 -0.36 0.06 0.00 -0.60 0.00 0.00 56.93 56.00 3gtg s PHE 856 Cb -0.06 -1.20 0.17 0.00 0.51 0.00 0.00 43.02 42.45 3gtg s PHE 856 CO -0.17 0.44 0.54 0.50 0.70 0.00 0.00 175.22 177.22 3gtg s ARG 857 N -2.43 0.79 0.53 0.44 3.52 -0.18 -3.40 118.95 118.22 3gtg s ARG 857 Ca 0.18 -0.62 -0.21 0.00 -0.13 0.00 0.00 55.73 54.95 3gtg s ARG 857 Cb -0.09 -0.26 -0.07 0.00 -1.56 0.00 0.00 34.95 32.97 3gtg s ARG 857 CO 0.09 -1.21 1.07 0.43 -0.81 0.00 0.00 175.30 174.86 3gtg n SER 858 N 4.15 1.38 -1.36 -2.12 7.64 -1.25 -3.33 113.62 118.73 3gtg n SER 858 Ca 0.12 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.92 3gtg n SER 858 Cb 0.52 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 3gtg n SER 858 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3gtg n TYR 859 N -1.16 -0.18 -3.63 1.43 4.02 0.15 -4.72 117.16 113.07 3gtg n TYR 859 Ca 0.11 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.95 3gtg n TYR 859 Cb 0.44 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.71 3gtg n TYR 859 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 3gtg s MET 860 N -0.99 0.24 -0.23 -0.72 1.75 -1.26 -3.92 119.30 114.17 3gtg s MET 860 Ca 0.00 0.12 -0.33 0.00 -1.25 0.00 0.00 55.69 54.22 3gtg s MET 860 Cb 0.00 0.12 0.16 0.00 2.84 0.00 0.00 34.83 37.94 3gtg s MET 860 CO 0.00 -0.06 1.26 0.34 -0.65 0.00 0.00 175.02 175.91 3gtg s ASP 861 N -0.71 -0.11 0.01 1.11 -1.08 -1.21 -5.01 116.67 109.67 3gtg s ASP 861 Ca 0.05 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.13 3gtg s ASP 861 Cb -0.02 0.10 -0.00 0.00 -1.46 0.00 0.00 42.92 41.54 3gtg s ASP 861 CO -0.07 -0.15 0.00 0.00 0.52 0.00 0.00 175.17 175.48 3gtg n GLN 862 N 0.19 0.74 -3.63 4.34 6.02 -1.26 -1.54 117.38 122.23 3gtg n GLN 862 Ca 0.00 -0.08 -0.01 0.00 -0.01 0.00 0.00 57.00 56.91 3gtg n GLN 862 Cb 0.58 0.05 -0.04 0.00 1.02 0.00 0.00 30.24 31.85 3gtg n GLN 862 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3gtg s GLU 863 N -2.03 0.55 0.00 -1.09 2.02 -1.24 -4.92 118.70 111.99 3gtg s GLU 863 Ca 0.01 1.39 0.00 0.00 0.02 0.00 0.00 54.97 56.39 3gtg s GLU 863 Cb 0.00 0.84 0.00 0.00 0.10 0.00 0.00 34.13 35.07 3gtg s GLU 863 CO 0.00 -0.19 0.00 1.17 0.02 0.00 0.00 175.26 176.26 3gtg n LYS 864 N 5.41 0.00 -1.78 1.61 0.00 -1.26 -4.33 118.16 117.81 3gtg n LYS 864 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 57.77 3gtg n LYS 864 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.49 3gtg n LYS 864 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3gtg s LYS 865 N 0.00 3.69 -0.41 1.64 2.47 -1.25 -4.41 119.74 121.46 3gtg s LYS 865 Ca 0.00 2.13 0.04 0.00 -1.56 0.00 0.00 55.97 56.58 3gtg s LYS 865 Cb 0.00 -4.20 0.17 0.00 -1.46 0.00 0.00 37.83 32.34 3gtg s LYS 865 CO 0.00 -1.46 0.35 0.71 0.16 0.00 0.00 175.35 175.11 3gtg s TYR 866 N 6.03 0.93 0.00 4.03 2.02 -1.25 -4.83 117.35 124.28 3gtg s TYR 866 Ca 0.88 -2.20 0.00 0.00 -0.37 0.00 0.00 57.07 55.38 3gtg s TYR 866 Cb -0.34 -0.85 0.00 0.00 -0.40 0.00 0.00 41.96 40.37 3gtg s TYR 866 CO 0.36 -0.85 0.11 0.41 -1.57 0.00 0.00 175.55 174.00 3gtg n GLY 867 N 2.92 0.45 0.84 0.71 0.00 -1.26 -4.54 105.19 104.30 3gtg n GLY 867 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 3gtg n GLY 867 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gtg n MET 868 N -0.28 0.00 0.00 1.61 2.81 -1.26 -4.97 117.12 115.03 3gtg n MET 868 Ca 0.00 -0.93 0.00 0.00 -1.81 0.00 0.00 57.70 54.96 3gtg n MET 868 Cb 0.06 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.57 3gtg n MET 868 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3gtg n SER 869 N 0.11 0.10 -4.77 7.83 7.64 -1.26 -5.11 113.62 118.16 3gtg n SER 869 Ca -0.06 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.43 3gtg n SER 869 Cb 0.74 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.92 3gtg n SER 869 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3gtg s ILE 870 N -1.83 2.98 -0.30 0.44 1.01 -1.26 -4.99 121.20 117.24 3gtg s ILE 870 Ca 0.00 0.89 -0.12 0.00 0.00 0.00 0.00 60.65 61.42 3gtg s ILE 870 Cb 0.00 -3.53 0.14 0.00 0.01 0.00 0.00 42.46 39.08 3gtg s ILE 870 CO 0.00 0.14 0.77 -0.89 0.00 0.00 0.00 174.94 174.96 3gtg s THR 871 N -1.29 -0.81 -1.29 2.92 2.01 -1.26 -3.83 115.64 112.10 3gtg s THR 871 Ca 0.54 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.45 3gtg s THR 871 Cb -0.34 -1.00 0.16 0.00 0.01 0.00 0.00 72.50 71.33 3gtg s THR 871 CO 0.44 0.00 1.98 -0.62 -0.69 0.00 0.00 174.62 175.73 3gtg n GLU 872 N 5.25 3.86 -1.55 4.92 1.02 -1.26 -4.77 120.64 128.11 3gtg n GLU 872 Ca -0.11 -3.54 -0.59 0.00 -0.02 0.00 0.00 57.16 52.90 3gtg n GLU 872 Cb 0.50 -2.85 -0.08 0.00 -0.02 0.00 0.00 31.44 29.00 3gtg n GLU 872 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3gtg n THR 873 N 2.91 0.01 -2.07 2.62 -1.04 -1.25 -4.13 114.28 111.33 3gtg n THR 873 Ca 0.44 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 62.06 3gtg n THR 873 Cb 0.34 -0.23 -0.00 0.00 -1.82 0.00 0.00 70.33 68.62 3gtg n THR 873 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3gtg s PHE 874 N 0.61 2.81 0.00 -1.42 2.99 -1.26 -2.58 117.98 119.12 3gtg s PHE 874 Ca 0.92 1.43 0.00 0.00 0.00 0.00 0.00 56.93 59.28 3gtg s PHE 874 Cb -1.25 -3.64 0.00 0.00 0.00 0.00 0.00 43.02 38.13 3gtg s PHE 874 CO 0.59 -2.05 0.00 -0.85 -0.00 0.00 0.00 175.22 172.92 3gtg n GLU 875 N 0.01 -1.95 -2.93 0.44 0.28 0.50 -4.61 120.64 112.39 3gtg n GLU 875 Ca 0.04 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.61 3gtg n GLU 875 Cb 0.44 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.27 3gtg n GLU 875 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3gtg s LYS 876 N -2.00 3.19 0.79 3.44 2.20 -1.26 -4.06 119.74 122.05 3gtg s LYS 876 Ca 0.00 -0.67 -0.12 0.00 -0.36 0.00 0.00 55.97 54.82 3gtg s LYS 876 Cb 0.00 -4.14 0.07 0.00 -1.51 0.00 0.00 37.83 32.25 3gtg s LYS 876 CO 0.00 -1.55 1.14 -2.14 -0.36 0.00 0.00 175.35 172.44 3gtg s PRO 877 N 3.63 1.89 0.00 4.03 0.02 -1.26 -5.05 135.00 138.26 3gtg s PRO 877 Ca 0.23 1.47 0.00 0.00 0.02 0.00 0.00 61.00 62.72 3gtg s PRO 877 Cb -0.16 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3gtg s PRO 877 CO 0.14 -1.97 0.00 0.00 -0.33 0.00 0.00 177.00 174.84 3gtg n GLN 878 N -3.42 0.00 -0.02 5.54 0.00 -1.26 -5.05 117.38 113.18 3gtg n GLN 878 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 57.00 57.10 3gtg n GLN 878 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.75 3gtg n GLN 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3gtg n ARG 879 N -0.13 0.11 -1.40 2.61 5.12 -1.26 -5.00 116.66 116.72 3gtg n ARG 879 Ca 0.00 0.19 -0.05 0.00 -1.93 0.00 0.00 57.85 56.06 3gtg n ARG 879 Cb 0.00 -0.85 -0.02 0.00 -1.16 0.00 0.00 32.46 30.44 3gtg n ARG 879 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3gtg n THR 880 N -2.87 -0.06 0.00 0.55 -2.24 -1.26 -2.93 114.28 105.47 3gtg n THR 880 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3gtg n THR 880 Cb 0.09 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 3gtg n THR 880 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3gtg n ASN 881 N 1.21 0.00 0.13 3.42 3.02 -1.26 -0.08 115.26 121.70 3gtg n ASN 881 Ca -0.05 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.62 3gtg n ASN 881 Cb 0.26 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.52 3gtg n ASN 881 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3gtg h THR 882 N 0.00 0.00 -5.16 3.41 2.02 -1.80 -3.46 112.91 107.92 3gtg h THR 882 Ca 0.00 -0.90 -0.27 0.00 0.77 0.00 0.00 66.41 66.00 3gtg h THR 882 Cb 0.00 1.59 -0.08 0.00 -1.74 0.00 0.00 68.15 67.92 3gtg h THR 882 CO 0.00 0.00 -0.39 0.00 0.37 0.00 0.00 175.52 175.50 3gtg n LEU 883 N -2.71 -0.96 -4.58 2.58 -0.00 -1.15 -4.86 117.00 105.33 3gtg n LEU 883 Ca 0.02 -0.11 -0.40 0.00 -0.00 0.00 0.00 56.01 55.51 3gtg n LEU 883 Cb 0.52 -1.76 -0.01 0.00 -0.00 0.00 0.00 43.42 42.16 3gtg n LEU 883 CO 0.37 0.04 1.80 -0.60 -0.00 0.00 0.00 177.39 179.01 3gtg s ARG 884 N -5.66 3.69 0.00 1.47 6.06 -1.26 -4.88 118.95 118.37 3gtg s ARG 884 Ca 0.25 -1.66 0.00 0.00 -2.50 0.00 0.00 55.73 51.82 3gtg s ARG 884 Cb -0.14 -5.45 0.00 0.00 0.06 0.00 0.00 34.95 29.42 3gtg s ARG 884 CO 0.31 -2.48 0.00 -1.33 -2.50 0.00 0.00 175.30 169.30 3gtg n MET 885 N 8.51 3.68 -4.01 5.12 2.81 -1.26 -2.38 117.12 129.59 3gtg n MET 885 Ca 0.45 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 56.07 3gtg n MET 885 Cb 0.47 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.96 3gtg n MET 885 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3gtg n LYS 886 N 0.00 0.75 -3.72 0.03 3.00 -1.26 -4.98 118.16 111.98 3gtg n LYS 886 Ca 0.00 -3.36 -0.37 0.00 -0.00 0.00 0.00 58.31 54.58 3gtg n LYS 886 Cb 0.00 0.56 -0.10 0.00 0.00 0.00 0.00 35.03 35.48 3gtg n LYS 886 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 3gtg s HIS 887 N -2.65 3.52 -1.09 5.64 5.65 -1.26 -5.06 115.29 120.03 3gtg s HIS 887 Ca 0.19 -2.43 0.00 0.00 0.25 0.00 0.00 55.06 53.07 3gtg s HIS 887 Cb -0.02 -3.26 0.00 0.00 -1.18 0.00 0.00 32.58 28.12 3gtg s HIS 887 CO 0.12 -0.94 0.00 0.41 -0.65 0.00 0.00 174.74 173.69 3gtg n GLY 888 N 4.29 -1.46 3.51 1.59 0.00 -1.26 -4.87 105.19 106.99 3gtg n GLY 888 Ca 0.00 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 3gtg n GLY 888 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gtg s THR 889 N -2.13 4.64 -0.38 2.61 2.01 -1.26 -4.87 115.64 116.27 3gtg s THR 889 Ca 0.00 0.11 0.23 0.00 0.31 0.00 0.00 61.69 62.34 3gtg s THR 889 Cb 0.00 -4.37 -0.06 0.00 0.01 0.00 0.00 72.50 68.08 3gtg s THR 889 CO 0.00 -0.85 1.02 -1.22 -0.69 0.00 0.00 174.62 172.88 3gtg n TYR 890 N 6.76 0.59 0.31 4.92 4.02 -1.26 -2.20 117.16 130.31 3gtg n TYR 890 Ca -0.01 0.17 0.14 0.00 -0.01 0.00 0.00 57.90 58.20 3gtg n TYR 890 Cb 0.47 -0.71 0.65 0.00 -0.02 0.00 0.00 39.34 39.73 3gtg n TYR 890 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3gtg h ASP 891 N 0.00 0.00 -0.25 7.72 3.32 -1.98 -2.09 116.42 123.13 3gtg h ASP 891 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gtg h ASP 891 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 3gtg h ASP 891 CO 0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 3gtg n LYS 892 N -2.56 2.35 -5.09 3.56 5.02 -1.26 -4.78 118.16 115.40 3gtg n LYS 892 Ca 0.00 -1.23 -0.30 0.00 -2.02 0.00 0.00 58.31 54.76 3gtg n LYS 892 Cb 0.19 -1.65 -0.17 0.00 -0.02 0.00 0.00 35.03 33.38 3gtg n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gtg s LEU 893 N -1.09 2.00 0.00 -0.35 1.43 -0.79 -4.27 118.68 115.61 3gtg s LEU 893 Ca 0.22 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3gtg s LEU 893 Cb 0.15 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 45.12 3gtg s LEU 893 CO 0.09 0.16 0.00 0.47 0.23 0.00 0.00 176.35 177.30 3gtg n ASP 894 N 3.37 0.00 0.20 2.29 9.92 -0.91 -4.90 116.55 126.52 3gtg n ASP 894 Ca -0.19 -0.19 0.08 0.00 -0.53 0.00 0.00 54.79 53.97 3gtg n ASP 894 Cb 0.53 0.00 0.23 0.00 -0.64 0.00 0.00 41.12 41.24 3gtg n ASP 894 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3gtg h ASP 895 N 0.00 0.00 0.52 -2.24 3.45 -1.98 -3.17 116.42 113.00 3gtg h ASP 895 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3gtg h ASP 895 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3gtg h ASP 895 CO 0.00 0.24 -0.04 -0.90 -1.57 0.00 0.00 179.24 176.97 3gtg n ASP 896 N -3.22 0.13 0.00 6.45 5.75 -1.26 -4.05 116.55 120.35 3gtg n ASP 896 Ca 0.02 -0.24 0.00 0.00 -0.01 0.00 0.00 54.79 54.56 3gtg n ASP 896 Cb 0.56 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 3gtg n ASP 896 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gtg n GLY 897 N 1.29 0.82 3.54 6.12 0.00 -1.20 -3.85 105.19 111.91 3gtg n GLY 897 Ca 0.14 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 3gtg n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtg s LEU 898 N 0.00 2.05 0.53 0.99 1.43 -1.26 -2.54 118.68 119.88 3gtg s LEU 898 Ca 0.00 -1.64 -0.05 0.00 -1.03 0.00 0.00 54.13 51.41 3gtg s LEU 898 Cb 0.00 -0.21 -0.01 0.00 0.03 0.00 0.00 46.19 45.99 3gtg s LEU 898 CO 0.00 -0.89 0.84 -0.63 0.23 0.00 0.00 176.35 175.90 3gtg s ILE 899 N -3.18 4.28 -0.20 -0.59 1.09 -1.25 -2.14 121.20 119.22 3gtg s ILE 899 Ca 0.23 0.08 -0.08 0.00 -1.10 0.00 0.00 60.65 59.78 3gtg s ILE 899 Cb 0.03 -3.66 -0.04 0.00 -1.06 0.00 0.00 42.46 37.73 3gtg s ILE 899 CO 0.13 -0.65 0.09 0.00 -0.10 0.00 0.00 174.94 174.41 3gtg s ALA 900 N -2.85 3.47 -0.47 9.38 0.00 -1.26 -4.97 121.76 125.06 3gtg s ALA 900 Ca 0.51 -0.78 -0.44 0.00 0.00 0.00 0.00 51.96 51.25 3gtg s ALA 900 Cb -0.10 -2.03 -0.18 0.00 0.00 0.00 0.00 23.12 20.80 3gtg s ALA 900 CO 0.45 0.09 1.94 -2.30 0.00 0.00 0.00 175.76 175.93 3gtg n PRO 901 N 3.71 0.20 0.00 0.00 -0.02 -1.26 -2.14 135.00 135.49 3gtg n PRO 901 Ca -0.16 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 3gtg n PRO 901 Cb 0.52 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 3gtg n PRO 901 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gtg n GLY 902 N 6.01 3.86 3.47 -1.23 0.00 -0.51 -4.96 105.19 111.83 3gtg n GLY 902 Ca 0.44 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 3gtg n GLY 902 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gtg n VAL 903 N 0.00 2.11 -3.48 1.61 0.31 -0.91 -4.55 118.33 113.42 3gtg n VAL 903 Ca 0.00 -0.44 -0.38 0.00 -0.01 0.00 0.00 64.34 63.51 3gtg n VAL 903 Cb 0.00 -0.74 -0.06 0.00 -0.91 0.00 0.00 33.84 32.13 3gtg n VAL 903 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gtg s ARG 904 N -2.50 3.93 0.28 5.55 0.52 -1.26 -2.13 118.95 123.33 3gtg s ARG 904 Ca 0.67 0.42 0.09 0.00 -0.52 0.00 0.00 55.73 56.39 3gtg s ARG 904 Cb -0.39 -3.18 -0.06 0.00 0.52 0.00 0.00 34.95 31.85 3gtg s ARG 904 CO 0.56 0.66 -0.12 0.08 0.02 0.00 0.00 175.30 176.50 3gtg s VAL 905 N -1.14 2.01 0.18 3.52 1.01 1.67 -4.95 120.40 122.69 3gtg s VAL 905 Ca 0.26 -2.23 -0.23 0.00 0.00 0.00 0.00 61.98 59.78 3gtg s VAL 905 Cb -0.17 -2.38 0.07 0.00 0.00 0.00 0.00 36.38 33.90 3gtg s VAL 905 CO 0.15 -0.36 0.98 -0.94 0.00 0.00 0.00 175.10 174.93 3gtg s SER 906 N -3.47 -0.10 0.00 3.32 1.04 -1.26 0.30 113.70 113.52 3gtg s SER 906 Ca 0.29 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3gtg s SER 906 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3gtg s SER 906 CO 0.13 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.97 3gtg n GLY 907 N -0.55 0.81 2.06 7.32 0.00 -1.25 -2.27 105.19 111.31 3gtg n GLY 907 Ca -0.05 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 3gtg n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gtg n GLU 908 N 5.59 2.15 -1.02 1.61 1.02 -1.26 -4.38 120.64 124.35 3gtg n GLU 908 Ca 0.00 -2.32 -0.33 0.00 -0.02 0.00 0.00 57.16 54.48 3gtg n GLU 908 Cb 0.00 -1.91 0.13 0.00 -0.02 0.00 0.00 31.44 29.63 3gtg n GLU 908 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3gtg n ASP 909 N -0.32 0.25 -4.90 1.62 9.92 -0.96 -4.27 116.55 117.90 3gtg n ASP 909 Ca 0.45 0.53 -0.29 0.00 -0.53 0.00 0.00 54.79 54.95 3gtg n ASP 909 Cb 0.75 -1.43 0.03 0.00 -0.64 0.00 0.00 41.12 39.83 3gtg n ASP 909 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3gtg s VAL 910 N -2.20 3.75 0.00 2.53 1.01 -0.93 -1.75 120.40 122.80 3gtg s VAL 910 Ca 0.69 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.99 3gtg s VAL 910 Cb -0.28 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3gtg s VAL 910 CO 0.55 -0.63 0.00 -0.38 0.00 0.00 0.00 175.10 174.64 3gtg n ILE 911 N -2.78 0.00 -3.15 2.22 5.41 -1.24 -4.77 119.36 115.05 3gtg n ILE 911 Ca 0.06 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.85 3gtg n ILE 911 Cb 0.57 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.49 3gtg n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3gtg s ILE 912 N -0.18 -0.96 -0.11 1.39 1.01 -1.26 -3.88 121.20 117.21 3gtg s ILE 912 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 60.65 60.60 3gtg s ILE 912 Cb 0.00 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 3gtg s ILE 912 CO 0.00 0.00 0.09 -0.83 0.00 0.00 0.00 174.94 174.20 3gtg s GLY 913 N 2.85 2.03 -0.02 6.18 0.00 -1.05 -2.09 107.32 115.22 3gtg s GLY 913 Ca 0.16 -0.71 -0.29 0.00 0.00 0.00 0.00 44.72 43.88 3gtg s GLY 913 CO -0.23 -0.43 0.66 -1.59 0.00 0.00 0.00 173.10 171.51 3gtg s LYS 914 N -0.91 1.07 -0.05 2.90 -2.85 -1.26 -0.37 119.74 118.28 3gtg s LYS 914 Ca 0.14 0.16 0.04 0.00 -1.00 0.00 0.00 55.97 55.30 3gtg s LYS 914 Cb -0.12 0.50 -0.00 0.00 -2.06 0.00 0.00 37.83 36.15 3gtg s LYS 914 CO 0.03 -0.35 -0.17 0.95 0.10 0.00 0.00 175.35 175.91 3gtg s THR 915 N -1.50 1.44 -0.38 3.79 -4.23 -1.07 -2.08 115.64 111.62 3gtg s THR 915 Ca -0.10 -0.71 -0.19 0.00 -1.18 0.00 0.00 61.69 59.52 3gtg s THR 915 Cb -0.00 -1.25 0.01 0.00 1.34 0.00 0.00 72.50 72.59 3gtg s THR 915 CO 0.07 0.42 0.55 0.28 -0.54 0.00 0.00 174.62 175.40 3gtg s THR 916 N 0.17 4.96 0.04 3.99 -1.32 -0.10 -3.89 115.64 119.49 3gtg s THR 916 Ca -0.07 0.22 -0.30 0.00 -1.21 0.00 0.00 61.69 60.33 3gtg s THR 916 Cb -0.13 -4.04 -0.08 0.00 -1.51 0.00 0.00 72.50 66.74 3gtg s THR 916 CO 0.03 -0.35 1.72 -2.84 -2.21 0.00 0.00 174.62 170.97 3gtg s PRO 917 N 2.50 4.18 -0.11 7.08 0.02 -1.26 0.12 135.00 147.53 3gtg s PRO 917 Ca 0.19 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.61 3gtg s PRO 917 Cb -0.15 -3.78 -0.00 0.00 0.02 0.00 0.00 34.50 30.59 3gtg s PRO 917 CO 0.15 -0.80 -0.22 0.42 -0.33 0.00 0.00 177.00 176.22 3gtg s ILE 918 N 3.27 2.25 -0.67 2.83 -1.09 -1.26 -4.91 121.20 121.61 3gtg s ILE 918 Ca 0.77 -0.95 -0.06 0.00 -2.23 0.00 0.00 60.65 58.18 3gtg s ILE 918 Cb -0.39 -1.88 -0.05 0.00 -1.58 0.00 0.00 42.46 38.55 3gtg s ILE 918 CO 0.33 0.55 1.82 -1.20 -1.23 0.00 0.00 174.94 175.22 3gtg n SER 919 N 3.62 3.50 -0.04 3.58 7.64 -1.26 -4.69 113.62 125.97 3gtg n SER 919 Ca -0.19 -2.28 -0.16 0.00 1.01 0.00 0.00 58.87 57.25 3gtg n SER 919 Cb 0.53 -0.94 -0.14 0.00 -1.01 0.00 0.00 64.21 62.64 3gtg n SER 919 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3gtg n SER 933 N 4.75 1.56 -3.95 6.43 2.88 0.89 -5.29 113.62 120.88 3gtg n SER 933 Ca 0.34 0.17 -0.09 0.00 -1.33 0.00 0.00 58.87 57.97 3gtg n SER 933 Cb 0.13 -0.38 -0.09 0.00 -0.75 0.00 0.00 64.21 63.12 3gtg n SER 933 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3gtg s LYS 934 N -2.55 0.60 -0.01 -1.46 1.02 -0.96 -4.31 119.74 112.08 3gtg s LYS 934 Ca -0.19 -0.85 0.06 0.00 0.02 0.00 0.00 55.97 55.01 3gtg s LYS 934 Cb 0.07 0.23 -0.03 0.00 -0.52 0.00 0.00 37.83 37.59 3gtg s LYS 934 CO 0.76 -0.15 -0.18 1.03 -0.92 0.00 0.00 175.35 175.89 3gtg s ARG 935 N -2.91 2.24 1.03 1.68 0.52 0.12 -4.53 118.95 117.10 3gtg s ARG 935 Ca -0.02 -0.86 -0.11 0.00 -0.52 0.00 0.00 55.73 54.21 3gtg s ARG 935 Cb 0.01 -2.23 0.21 0.00 0.52 0.00 0.00 34.95 33.45 3gtg s ARG 935 CO -0.06 0.58 1.09 -3.47 0.02 0.00 0.00 175.30 173.45 3gtg n ASP 936 N 2.01 -0.57 -0.18 0.23 4.64 -1.00 -0.92 116.55 120.75 3gtg n ASP 936 Ca -0.16 0.17 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3gtg n ASP 936 Cb 0.52 -1.38 0.00 0.00 -1.04 0.00 0.00 41.12 39.22 3gtg n ASP 936 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3gtg n ALA 937 N -4.58 1.36 -1.51 -1.67 0.00 -0.88 -4.62 120.51 108.61 3gtg n ALA 937 Ca 0.08 -0.12 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 3gtg n ALA 937 Cb 0.53 -0.03 0.02 0.00 0.00 0.00 0.00 19.45 19.97 3gtg n ALA 937 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gtg n SER 938 N 0.00 -0.35 -3.99 0.00 2.88 -1.26 -4.76 113.62 106.14 3gtg n SER 938 Ca 0.00 0.86 -0.32 0.00 -1.33 0.00 0.00 58.87 58.08 3gtg n SER 938 Cb 0.51 -1.21 -0.12 0.00 -0.75 0.00 0.00 64.21 62.64 3gtg n SER 938 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3gtg s THR 939 N -1.53 3.09 1.30 2.46 2.01 -0.89 -4.99 115.64 117.10 3gtg s THR 939 Ca 0.67 -3.48 -0.18 0.00 0.31 0.00 0.00 61.69 59.01 3gtg s THR 939 Cb -0.52 -3.06 0.32 0.00 0.01 0.00 0.00 72.50 69.26 3gtg s THR 939 CO 0.55 -0.89 0.86 -2.65 -0.69 0.00 0.00 174.62 171.81 3gtg n PRO 940 N 2.90 -3.48 -1.90 4.92 -0.02 -1.26 -3.71 135.00 132.44 3gtg n PRO 940 Ca 0.10 -1.01 -0.30 0.00 -2.02 0.00 0.00 63.50 60.27 3gtg n PRO 940 Cb 0.34 -2.00 0.18 0.00 -0.02 0.00 0.00 33.50 32.00 3gtg n PRO 940 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gtg s LEU 941 N -6.89 2.64 -0.40 2.45 1.98 -0.72 -4.83 118.68 112.91 3gtg s LEU 941 Ca 0.66 0.31 -0.26 0.00 -2.89 0.00 0.00 54.13 51.96 3gtg s LEU 941 Cb -0.19 -2.37 0.02 0.00 0.66 0.00 0.00 46.19 44.31 3gtg s LEU 941 CO 0.61 -2.73 0.92 -0.13 -1.89 0.00 0.00 176.35 173.12 3gtg s ARG 942 N -5.86 3.73 0.00 1.98 1.81 -1.26 -4.86 118.95 114.50 3gtg s ARG 942 Ca 0.73 0.42 0.00 0.00 -1.72 0.00 0.00 55.73 55.16 3gtg s ARG 942 Cb -0.04 -3.85 0.00 0.00 -0.45 0.00 0.00 34.95 30.61 3gtg s ARG 942 CO 0.53 -1.04 0.76 -1.13 -0.68 0.00 0.00 175.30 173.74 3gtg n SER 943 N 6.89 0.00 -0.07 0.23 3.41 -1.26 -0.05 113.62 122.77 3gtg n SER 943 Ca 0.06 0.27 -0.22 0.00 -0.26 0.00 0.00 58.87 58.72 3gtg n SER 943 Cb 0.48 -0.27 -0.12 0.00 -0.26 0.00 0.00 64.21 64.04 3gtg n SER 943 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3gtg n THR 944 N -1.26 1.62 -2.90 6.66 -1.04 -1.26 -4.82 114.28 111.27 3gtg n THR 944 Ca 0.00 -0.41 -0.19 0.00 -2.04 0.00 0.00 64.05 61.41 3gtg n THR 944 Cb 0.22 -1.80 0.04 0.00 -1.82 0.00 0.00 70.33 66.97 3gtg n THR 944 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gtg s GLU 945 N -2.48 2.46 -0.17 -2.82 2.02 0.93 -4.92 118.70 113.72 3gtg s GLU 945 Ca -0.29 -1.27 -0.33 0.00 0.02 0.00 0.00 54.97 53.10 3gtg s GLU 945 Cb 0.08 -2.62 0.14 0.00 0.10 0.00 0.00 34.13 31.83 3gtg s GLU 945 CO 0.64 -0.69 1.16 0.54 0.02 0.00 0.00 175.26 176.93 3gtg s ASN 946 N -4.51 -0.19 0.00 -0.19 2.20 -1.26 -3.78 114.94 107.21 3gtg s ASN 946 Ca 0.59 0.06 0.00 0.00 -0.94 0.00 0.00 52.86 52.57 3gtg s ASN 946 Cb -0.08 0.18 0.00 0.00 -2.00 0.00 0.00 41.25 39.35 3gtg s ASN 946 CO 0.37 -0.27 0.00 0.61 -2.94 0.00 0.00 177.10 174.87 3gtg n GLY 947 N 0.07 -0.30 3.20 0.45 0.00 0.15 -4.70 105.19 104.06 3gtg n GLY 947 Ca -0.02 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 3gtg n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtg s ILE 948 N -2.01 2.98 0.16 -0.61 1.09 -0.62 0.47 121.20 122.66 3gtg s ILE 948 Ca 0.00 -1.16 -0.34 0.00 -1.10 0.00 0.00 60.65 58.05 3gtg s ILE 948 Cb 0.00 -2.60 -0.15 0.00 -1.06 0.00 0.00 42.46 38.65 3gtg s ILE 948 CO 0.00 0.06 1.40 0.52 -0.10 0.00 0.00 174.94 176.83 3gtg n VAL 949 N 4.66 0.40 0.00 2.92 0.31 -0.91 -1.14 118.33 124.57 3gtg n VAL 949 Ca -0.15 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3gtg n VAL 949 Cb 0.45 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 3gtg n VAL 949 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3gtg n ASP 950 N 2.63 0.00 -4.15 4.52 2.03 0.14 -1.42 116.55 120.30 3gtg n ASP 950 Ca 0.16 0.01 -0.20 0.00 0.52 0.00 0.00 54.79 55.28 3gtg n ASP 950 Cb 0.26 -0.13 -0.13 0.00 -0.72 0.00 0.00 41.12 40.40 3gtg n ASP 950 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3gtg s GLN 951 N -0.26 0.92 -0.33 -0.67 -0.21 -1.26 -4.56 119.66 113.30 3gtg s GLN 951 Ca 0.00 -0.78 0.02 0.00 0.02 0.00 0.00 55.36 54.63 3gtg s GLN 951 Cb 0.00 -0.93 0.10 0.00 1.00 0.00 0.00 33.01 33.18 3gtg s GLN 951 CO 0.00 0.23 0.07 0.08 -2.12 0.00 0.00 175.29 173.55 3gtg s VAL 952 N -0.89 1.82 -0.23 1.09 1.01 -1.26 -2.73 120.40 119.21 3gtg s VAL 952 Ca 0.01 -2.06 -0.28 0.00 0.00 0.00 0.00 61.98 59.66 3gtg s VAL 952 Cb -0.08 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.95 3gtg s VAL 952 CO 0.01 -0.63 0.99 -0.22 0.00 0.00 0.00 175.10 175.25 3gtg s LEU 953 N 1.11 4.10 -0.26 3.92 2.96 -0.87 -4.89 118.68 124.74 3gtg s LEU 953 Ca 0.11 1.30 0.02 0.00 -0.22 0.00 0.00 54.13 55.33 3gtg s LEU 953 Cb -0.19 -3.45 0.06 0.00 0.50 0.00 0.00 46.19 43.11 3gtg s LEU 953 CO -0.13 -0.63 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.48 3gtg s VAL 954 N 3.09 2.30 0.00 1.68 1.01 -1.26 -0.33 120.40 126.89 3gtg s VAL 954 Ca 0.42 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.83 3gtg s VAL 954 Cb -0.15 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.89 3gtg s VAL 954 CO 0.07 -0.02 0.00 0.41 0.00 0.00 0.00 175.10 175.56 3gtg n THR 955 N 4.47 0.00 -3.96 3.92 -1.04 -0.28 -5.00 114.28 112.39 3gtg n THR 955 Ca -0.14 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.78 3gtg n THR 955 Cb 0.43 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.86 3gtg n THR 955 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3gtg s THR 956 N 0.03 0.12 0.28 12.58 -1.32 -1.22 -1.50 115.64 124.61 3gtg s THR 956 Ca 0.00 -1.42 0.12 0.00 -1.21 0.00 0.00 61.69 59.17 3gtg s THR 956 Cb 0.00 -1.63 -0.05 0.00 -1.51 0.00 0.00 72.50 69.31 3gtg s THR 956 CO 0.00 -0.55 -0.19 0.21 -2.21 0.00 0.00 174.62 171.88 3gtg s ASN 957 N -2.93 3.56 0.28 8.08 2.47 -1.14 -4.82 114.94 120.44 3gtg s ASN 957 Ca 0.12 -1.04 0.19 0.00 0.42 0.00 0.00 52.86 52.55 3gtg s ASN 957 Cb 0.05 -0.30 0.97 0.00 -1.45 0.00 0.00 41.25 40.52 3gtg s ASN 957 CO -0.05 0.01 1.04 0.00 -3.72 0.00 0.00 177.10 174.38 3gtg n GLN 958 N -0.63 -0.03 0.00 0.43 6.02 -1.26 0.63 117.38 122.54 3gtg n GLN 958 Ca -0.05 0.86 0.13 0.00 -0.01 0.00 0.00 57.00 57.93 3gtg n GLN 958 Cb 0.60 -1.65 0.41 0.00 1.02 0.00 0.00 30.24 30.62 3gtg n GLN 958 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3gtg n ASP 959 N -4.15 0.29 0.00 1.08 9.92 -1.26 -2.87 116.55 119.55 3gtg n ASP 959 Ca 0.26 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 3gtg n ASP 959 Cb 0.99 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 41.40 3gtg n ASP 959 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3gtg n GLY 960 N 1.50 0.71 3.29 0.44 0.00 0.20 -5.01 105.19 106.33 3gtg n GLY 960 Ca 0.06 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3gtg n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtg s LEU 961 N 0.00 3.64 -0.62 0.99 1.43 -1.19 -4.86 118.68 118.08 3gtg s LEU 961 Ca 0.00 -0.78 -0.26 0.00 -1.03 0.00 0.00 54.13 52.06 3gtg s LEU 961 Cb 0.00 -1.81 -0.08 0.00 0.03 0.00 0.00 46.19 44.33 3gtg s LEU 961 CO 0.00 -0.17 2.31 -0.75 0.23 0.00 0.00 176.35 177.97 3gtg s LYS 962 N 1.44 2.05 -0.05 1.70 2.20 -1.26 -2.89 119.74 122.92 3gtg s LYS 962 Ca 0.02 0.93 0.02 0.00 -0.36 0.00 0.00 55.97 56.57 3gtg s LYS 962 Cb -0.17 -4.65 0.02 0.00 -1.51 0.00 0.00 37.83 31.52 3gtg s LYS 962 CO 0.00 -3.56 -0.08 0.12 -0.36 0.00 0.00 175.35 171.47 3gtg s PHE 963 N 12.43 1.04 0.35 4.03 5.36 -0.56 -3.67 117.98 136.96 3gtg s PHE 963 Ca 0.90 -0.34 0.09 0.00 -0.96 0.00 0.00 56.93 56.62 3gtg s PHE 963 Cb -0.15 -0.83 -0.06 0.00 -0.34 0.00 0.00 43.02 41.65 3gtg s PHE 963 CO 0.18 -0.22 -0.01 0.08 -1.46 0.00 0.00 175.22 173.79 3gtg s VAL 964 N 0.78 2.48 -0.30 3.12 1.01 -0.59 -1.12 120.40 125.78 3gtg s VAL 964 Ca -0.13 -2.03 0.03 0.00 0.00 0.00 0.00 61.98 59.85 3gtg s VAL 964 Cb -0.15 -2.77 0.16 0.00 0.00 0.00 0.00 36.38 33.63 3gtg s VAL 964 CO 0.02 -0.19 0.43 -0.54 0.00 0.00 0.00 175.10 174.82 3gtg s LYS 965 N -3.69 0.45 -0.15 2.72 1.02 0.55 -3.29 119.74 117.35 3gtg s LYS 965 Ca 0.34 0.11 -0.16 0.00 0.02 0.00 0.00 55.97 56.28 3gtg s LYS 965 Cb 0.01 -0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.02 3gtg s LYS 965 CO 0.19 -1.05 0.40 0.08 -0.92 0.00 0.00 175.35 174.05 3gtg s VAL 966 N 2.50 5.23 -0.16 3.17 1.01 -1.25 -2.06 120.40 128.84 3gtg s VAL 966 Ca 0.10 0.78 -0.05 0.00 0.00 0.00 0.00 61.98 62.81 3gtg s VAL 966 Cb -0.12 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3gtg s VAL 966 CO -0.28 0.33 0.01 -0.60 0.00 0.00 0.00 175.10 174.57 3gtg s ARG 967 N 0.70 3.71 -0.05 2.72 3.52 -1.10 0.31 118.95 128.75 3gtg s ARG 967 Ca 0.22 -0.42 0.04 0.00 -0.13 0.00 0.00 55.73 55.43 3gtg s ARG 967 Cb -0.14 -3.03 -0.02 0.00 -1.56 0.00 0.00 34.95 30.19 3gtg s ARG 967 CO 0.08 0.33 -0.15 0.08 -0.81 0.00 0.00 175.30 174.83 3gtg s VAL 968 N 0.16 3.00 -0.11 7.11 1.01 -1.21 -0.68 120.40 129.68 3gtg s VAL 968 Ca 0.02 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.28 3gtg s VAL 968 Cb -0.13 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 3gtg s VAL 968 CO 0.02 0.59 -0.22 -0.60 0.00 0.00 0.00 175.10 174.88 3gtg s ARG 969 N -0.65 3.09 0.13 2.72 3.52 -0.29 -1.01 118.95 126.46 3gtg s ARG 969 Ca 0.10 -0.85 0.06 0.00 -0.13 0.00 0.00 55.73 54.91 3gtg s ARG 969 Cb -0.11 -2.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.88 3gtg s ARG 969 CO 0.01 0.16 -0.15 0.99 -0.81 0.00 0.00 175.30 175.50 3gtg s THR 970 N 0.39 1.40 0.13 4.11 2.01 -0.36 -1.59 115.64 121.73 3gtg s THR 970 Ca -0.17 -1.73 -0.13 0.00 0.31 0.00 0.00 61.69 59.98 3gtg s THR 970 Cb -0.17 -1.56 -0.07 0.00 0.01 0.00 0.00 72.50 70.71 3gtg s THR 970 CO 0.07 -0.39 0.51 -0.89 -0.69 0.00 0.00 174.62 173.24 3gtg s THR 971 N -2.07 4.92 -0.05 -0.82 2.01 -1.26 -1.35 115.64 117.01 3gtg s THR 971 Ca 0.09 0.72 0.03 0.00 0.31 0.00 0.00 61.69 62.85 3gtg s THR 971 Cb -0.05 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.75 3gtg s THR 971 CO 0.03 0.24 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.51 3gtg s LYS 972 N -1.99 1.80 0.41 4.92 1.02 -1.19 -4.97 119.74 119.75 3gtg s LYS 972 Ca 0.37 -0.54 0.06 0.00 0.02 0.00 0.00 55.97 55.88 3gtg s LYS 972 Cb -0.15 -1.52 0.01 0.00 -0.52 0.00 0.00 37.83 35.65 3gtg s LYS 972 CO 0.19 0.16 0.57 0.42 -0.92 0.00 0.00 175.35 175.77 3gtg s ILE 973 N 0.28 3.37 0.36 2.17 1.09 -1.26 -3.15 121.20 124.06 3gtg s ILE 973 Ca -0.09 -0.92 -0.28 0.00 -1.10 0.00 0.00 60.65 58.26 3gtg s ILE 973 Cb -0.13 -3.17 -0.11 0.00 -1.06 0.00 0.00 42.46 37.99 3gtg s ILE 973 CO 0.03 -0.07 1.49 -2.84 -0.10 0.00 0.00 174.94 173.45 3gtg s PRO 974 N -4.36 4.13 0.00 2.79 0.02 -1.26 -4.90 135.00 131.41 3gtg s PRO 974 Ca 0.52 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.08 3gtg s PRO 974 Cb -0.10 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3gtg s PRO 974 CO 0.33 -0.52 0.00 0.94 -0.33 0.00 0.00 177.00 177.42 3gtg n GLN 975 N 0.81 4.00 0.00 5.54 0.00 -1.26 -5.10 117.38 121.36 3gtg n GLN 975 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.02 3gtg n GLN 975 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.63 3gtg n GLN 975 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 3gtg n ILE 976 N 0.00 0.00 -3.81 1.69 0.13 -1.26 -4.55 119.36 111.56 3gtg n ILE 976 Ca 0.00 1.30 -0.31 0.00 -1.10 0.00 0.00 62.75 62.64 3gtg n ILE 976 Cb 0.00 -2.29 -0.10 0.00 -0.84 0.00 0.00 39.64 36.41 3gtg n ILE 976 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 3gtg s GLY 977 N -0.85 2.91 -0.02 4.50 0.00 -1.11 -3.61 107.32 109.14 3gtg s GLY 977 Ca 0.00 -3.75 -0.06 0.00 0.00 0.00 0.00 44.72 40.91 3gtg s GLY 977 CO 0.00 1.11 0.23 0.99 0.00 0.00 0.00 173.10 175.43 3gtg s ASP 978 N -0.81 6.46 0.57 1.64 1.01 -1.26 -3.80 116.67 120.49 3gtg s ASP 978 Ca 0.24 0.51 -0.21 0.00 0.71 0.00 0.00 52.55 53.81 3gtg s ASP 978 Cb -0.08 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 3gtg s ASP 978 CO -0.13 0.29 1.35 1.17 0.21 0.00 0.00 175.17 178.06 3gtg n LYS 979 N 1.26 1.56 0.00 8.23 4.81 -1.20 -3.15 118.16 129.67 3gtg n LYS 979 Ca -0.13 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 3gtg n LYS 979 Cb 0.53 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 33.00 3gtg n LYS 979 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3gtg n PHE 980 N -1.26 0.00 -1.95 5.64 3.01 0.83 -3.24 117.46 120.48 3gtg n PHE 980 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 3gtg n PHE 980 Cb 0.45 0.34 0.00 0.00 -0.01 0.00 0.00 39.48 40.26 3gtg n PHE 980 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gtg n ALA 981 N -2.23 -2.13 -1.00 4.37 0.00 -1.22 -3.92 120.51 114.39 3gtg n ALA 981 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3gtg n ALA 981 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3gtg n ALA 981 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gtg n SER 982 N 1.72 -0.20 0.00 0.00 3.41 -1.23 -2.58 113.62 114.73 3gtg n SER 982 Ca 0.00 -0.43 0.12 0.00 -0.26 0.00 0.00 58.87 58.30 3gtg n SER 982 Cb 0.00 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 64.67 3gtg n SER 982 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gtg n ARG 983 N -0.63 0.88 -2.16 4.33 1.74 -1.26 -3.90 116.66 115.67 3gtg n ARG 983 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3gtg n ARG 983 Cb 0.00 -1.43 0.05 0.00 -1.02 0.00 0.00 32.46 30.07 3gtg n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3gtg n HIS 984 N -0.93 1.60 -1.02 -1.55 8.25 -1.26 -4.79 115.22 115.53 3gtg n HIS 984 Ca 0.18 -1.94 -0.01 0.00 -0.26 0.00 0.00 57.72 55.69 3gtg n HIS 984 Cb 0.08 -0.27 -0.00 0.00 1.12 0.00 0.00 29.99 30.92 3gtg n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtg n GLY 985 N -0.58 0.47 2.23 -1.41 0.00 -1.25 -4.82 105.19 99.83 3gtg n GLY 985 Ca 0.23 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 3gtg n GLY 985 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gtg n GLN 986 N -2.65 2.78 -2.08 1.61 1.13 -1.26 -4.93 117.38 111.98 3gtg n GLN 986 Ca -0.01 -1.60 -0.41 0.00 -1.94 0.00 0.00 57.00 53.04 3gtg n GLN 986 Cb 0.06 -2.42 -0.02 0.00 0.11 0.00 0.00 30.24 27.96 3gtg n GLN 986 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3gtg s LYS 987 N 1.89 4.32 0.11 -1.09 -2.85 -1.26 -3.41 119.74 117.45 3gtg s LYS 987 Ca 0.63 2.24 -0.12 0.00 -1.00 0.00 0.00 55.97 57.72 3gtg s LYS 987 Cb 0.22 -3.11 0.01 0.00 -2.06 0.00 0.00 37.83 32.90 3gtg s LYS 987 CO -0.03 -0.31 0.29 0.20 0.10 0.00 0.00 175.35 175.60 3gtg s GLY 988 N 0.04 -0.05 0.44 0.59 0.00 -1.26 -4.77 107.32 102.31 3gtg s GLY 988 Ca 0.55 -0.38 -0.00 0.00 0.00 0.00 0.00 44.72 44.89 3gtg s GLY 988 CO 0.46 -0.58 0.67 -0.51 0.00 0.00 0.00 173.10 173.14 3gtg s THR 989 N -3.84 4.14 -0.09 0.90 -4.23 -1.16 -0.12 115.64 111.23 3gtg s THR 989 Ca 0.05 -0.45 -0.30 0.00 -1.18 0.00 0.00 61.69 59.81 3gtg s THR 989 Cb 0.03 -3.53 -0.02 0.00 1.34 0.00 0.00 72.50 70.32 3gtg s THR 989 CO -0.11 -0.38 1.18 -0.63 -0.54 0.00 0.00 174.62 174.14 3gtg s ILE 990 N -2.55 4.35 -0.16 2.99 1.01 -1.19 0.56 121.20 126.22 3gtg s ILE 990 Ca 0.48 1.66 0.16 0.00 0.00 0.00 0.00 60.65 62.95 3gtg s ILE 990 Cb -0.10 -4.07 -0.24 0.00 0.01 0.00 0.00 42.46 38.06 3gtg s ILE 990 CO 0.38 -0.04 0.24 0.61 0.00 0.00 0.00 174.94 176.13 3gtg n GLY 991 N 3.38 -0.99 3.38 6.18 0.00 0.15 -2.74 105.19 114.55 3gtg n GLY 991 Ca 0.11 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 3gtg n GLY 991 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3gtg s ILE 992 N -2.52 0.03 -0.31 -0.61 1.10 -1.14 -4.95 121.20 112.80 3gtg s ILE 992 Ca -0.09 -0.26 -0.10 0.00 -0.51 0.00 0.00 60.65 59.69 3gtg s ILE 992 Cb 0.07 -0.94 -0.01 0.00 0.15 0.00 0.00 42.46 41.73 3gtg s ILE 992 CO 0.83 -0.15 0.15 0.42 -2.11 0.00 0.00 174.94 174.08 3gtg s THR 993 N -2.14 4.60 -0.09 4.00 -4.23 -1.26 -1.33 115.64 115.19 3gtg s THR 993 Ca -0.07 -0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 59.99 3gtg s THR 993 Cb -0.01 -3.35 -0.03 0.00 1.34 0.00 0.00 72.50 70.45 3gtg s THR 993 CO 0.01 0.06 0.01 -0.31 -0.54 0.00 0.00 174.62 173.85 3gtg s TYR 994 N 1.61 3.20 0.65 3.99 4.12 -0.92 -4.83 117.35 125.17 3gtg s TYR 994 Ca 0.05 0.21 -0.12 0.00 0.02 0.00 0.00 57.07 57.23 3gtg s TYR 994 Cb -0.17 -1.81 -0.02 0.00 -1.52 0.00 0.00 41.96 38.45 3gtg s TYR 994 CO 0.06 0.48 1.05 1.03 0.02 0.00 0.00 175.55 178.19 3gtg s ARG 995 N -0.87 3.23 0.62 -0.62 0.52 -1.26 -0.99 118.95 119.58 3gtg s ARG 995 Ca 0.13 0.93 0.26 0.00 -0.52 0.00 0.00 55.73 56.54 3gtg s ARG 995 Cb -0.11 -2.03 1.34 0.00 0.52 0.00 0.00 34.95 34.67 3gtg s ARG 995 CO 0.02 -0.87 1.76 -0.09 0.02 0.00 0.00 175.30 176.15 3gtg h ARG 996 N -0.36 0.00 0.00 3.54 2.43 -1.93 -0.58 114.38 117.47 3gtg h ARG 996 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3gtg h ARG 996 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3gtg h ARG 996 CO 0.59 0.00 -0.45 0.93 -1.51 0.00 0.00 179.97 179.52 3gtg h GLU 997 N 0.00 0.00 -0.15 0.20 3.07 -1.96 -3.30 114.58 112.44 3gtg h GLU 997 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3gtg h GLU 997 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 3gtg h GLU 997 CO -0.00 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.36 3gtg n ASP 998 N -2.34 2.44 -4.91 1.42 10.43 -0.24 -4.38 116.55 118.98 3gtg n ASP 998 Ca 0.03 -1.70 -0.27 0.00 2.57 0.00 0.00 54.79 55.42 3gtg n ASP 998 Cb 0.46 -0.10 0.00 0.00 1.84 0.00 0.00 41.12 43.33 3gtg n ASP 998 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 3gtg s MET 999 N -1.06 3.51 0.90 -1.24 1.75 -1.15 -4.48 119.30 117.53 3gtg s MET 999 Ca 0.20 0.18 -0.15 0.00 -1.25 0.00 0.00 55.69 54.66 3gtg s MET 999 Cb 0.12 -2.38 0.23 0.00 2.84 0.00 0.00 34.83 35.64 3gtg s MET 999 CO 0.17 -0.22 0.73 -0.35 -0.65 0.00 0.00 175.02 174.71 3gtg n PRO 1000N -2.27 -2.85 -3.64 4.11 -0.04 -1.26 -2.93 135.00 126.12 3gtg n PRO 1000Ca 0.01 -1.19 -0.07 0.00 -0.04 0.00 0.00 63.50 62.21 3gtg n PRO 1000Cb 0.55 -1.19 -0.07 0.00 -0.04 0.00 0.00 33.50 32.75 3gtg n PRO 1000CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3gtg s PHE 1001N -2.26 -0.45 0.70 0.54 -0.12 -1.15 -4.62 117.98 110.63 3gtg s PHE 1001Ca 0.49 1.04 -0.09 0.00 -0.05 0.00 0.00 56.93 58.32 3gtg s PHE 1001Cb -0.06 0.37 0.04 0.00 -0.63 0.00 0.00 43.02 42.75 3gtg s PHE 1001CO 0.39 -0.22 1.04 -0.08 -0.05 0.00 0.00 175.22 176.30 3gtg s THR 1002N 0.45 2.78 -1.49 -4.49 -1.32 -0.94 -1.59 115.64 109.03 3gtg s THR 1002Ca 0.01 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.50 3gtg s THR 1002Cb -0.05 -3.20 0.02 0.00 -1.51 0.00 0.00 72.50 67.76 3gtg s THR 1002CO -0.09 -0.23 0.80 0.00 -2.21 0.00 0.00 174.62 172.88 3gtg n ALA 1003N -2.94 1.29 0.70 11.08 0.00 -1.26 -0.64 120.51 128.74 3gtg n ALA 1003Ca 0.07 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.58 3gtg n ALA 1003Cb 0.59 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 3gtg n ALA 1003CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gtg n GLU 1004N -1.25 1.94 0.00 0.00 1.02 -1.26 -4.97 120.64 116.12 3gtg n GLU 1004Ca 0.01 -0.35 0.00 0.00 -0.02 0.00 0.00 57.16 56.79 3gtg n GLU 1004Cb 0.01 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 3gtg n GLU 1004CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gtg n GLY 1005N 1.25 0.07 3.73 0.62 0.00 0.19 -5.05 105.19 105.99 3gtg n GLY 1005Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3gtg n GLY 1005CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtg s ILE 1006N -2.00 2.78 -0.00 -0.61 -1.09 -1.26 -4.72 121.20 114.30 3gtg s ILE 1006Ca 0.00 0.61 0.07 0.00 -2.23 0.00 0.00 60.65 59.10 3gtg s ILE 1006Cb 0.00 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.47 3gtg s ILE 1006CO 0.00 0.07 -0.22 -0.69 -1.23 0.00 0.00 174.94 172.88 3gtg s VAL 1007N 0.55 2.46 0.30 2.92 1.01 -1.26 -2.21 120.40 124.17 3gtg s VAL 1007Ca 0.63 -1.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 3gtg s VAL 1007Cb -0.41 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.94 3gtg s VAL 1007CO 0.37 0.50 1.00 -2.84 0.00 0.00 0.00 175.10 174.12 3gtg s PRO 1008N -0.91 4.59 0.28 2.72 0.02 -1.26 -4.95 135.00 135.48 3gtg s PRO 1008Ca 0.12 1.52 0.13 0.00 0.02 0.00 0.00 61.00 62.79 3gtg s PRO 1008Cb -0.10 -2.97 0.30 0.00 0.02 0.00 0.00 34.50 31.75 3gtg s PRO 1008CO 0.01 0.25 1.56 -0.44 -0.33 0.00 0.00 177.00 178.05 3gtg h ASP 1009N 3.46 0.00 -3.75 2.53 3.32 -1.41 -3.39 116.42 117.18 3gtg h ASP 1009Ca -0.47 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.49 3gtg h ASP 1009Cb 1.20 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.52 3gtg h ASP 1009CO 0.66 0.60 -0.16 -1.48 -1.72 0.00 0.00 179.24 177.13 3gtg s LEU 1010N -7.05 0.05 -0.23 1.55 2.34 -0.87 -1.89 118.68 112.57 3gtg s LEU 1010Ca 0.00 0.99 0.00 0.00 0.06 0.00 0.00 54.13 55.19 3gtg s LEU 1010Cb 0.11 1.65 0.04 0.00 -0.56 0.00 0.00 46.19 47.42 3gtg s LEU 1010CO 0.75 -0.18 -0.11 -0.63 -1.06 0.00 0.00 176.35 175.12 3gtg s ILE 1011N 0.52 2.44 0.05 1.48 1.01 -0.84 0.15 121.20 126.02 3gtg s ILE 1011Ca -0.02 -1.20 0.02 0.00 0.00 0.00 0.00 60.65 59.45 3gtg s ILE 1011Cb -0.04 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 3gtg s ILE 1011CO -0.03 0.21 0.07 0.27 0.00 0.00 0.00 174.94 175.47 3gtg s ILE 1012N 1.24 4.55 -0.13 2.92 -4.36 0.33 -1.64 121.20 124.11 3gtg s ILE 1012Ca -0.01 -0.66 -0.21 0.00 -0.26 0.00 0.00 60.65 59.50 3gtg s ILE 1012Cb -0.17 -3.15 -0.03 0.00 1.25 0.00 0.00 42.46 40.36 3gtg s ILE 1012CO -0.07 0.20 0.61 0.21 0.24 0.00 0.00 174.94 176.14 3gtg s ASN 1013N -2.15 6.79 0.00 4.36 3.84 -1.25 -1.92 114.94 124.60 3gtg s ASN 1013Ca 0.27 0.95 0.04 0.00 0.21 0.00 0.00 52.86 54.32 3gtg s ASN 1013Cb -0.12 -2.35 0.23 0.00 -0.55 0.00 0.00 41.25 38.46 3gtg s ASN 1013CO 0.19 -0.14 0.69 -0.81 -2.79 0.00 0.00 177.10 174.23 3gtg n PRO 1014N 4.24 0.47 -0.03 0.43 -0.04 -1.26 -2.62 135.00 136.19 3gtg n PRO 1014Ca -0.03 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.30 3gtg n PRO 1014Cb 0.51 -1.13 -0.11 0.00 -0.04 0.00 0.00 33.50 32.73 3gtg n PRO 1014CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3gtg h HIS 1015N 0.00 0.03 0.00 0.54 3.86 -1.96 -3.29 115.15 114.33 3gtg h HIS 1015Ca 0.00 -0.01 -0.60 0.00 -1.16 0.00 0.00 60.37 58.60 3gtg h HIS 1015Cb 0.00 -0.00 0.04 0.00 1.06 0.00 0.00 27.41 28.51 3gtg h HIS 1015CO 0.00 0.64 2.36 0.00 0.86 0.00 0.00 177.93 181.79 3gtg n ALA 1016N -2.42 3.59 -0.43 2.45 0.00 -1.08 -3.85 120.51 118.78 3gtg n ALA 1016Ca -0.09 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.28 3gtg n ALA 1016Cb 0.32 -3.52 0.00 0.00 0.00 0.00 0.00 19.45 16.25 3gtg n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3gtg n ILE 1017N 5.66 0.00 0.33 0.00 2.08 -1.24 -4.92 119.36 121.27 3gtg n ILE 1017Ca 0.48 0.00 0.15 0.00 0.56 0.00 0.00 62.75 63.94 3gtg n ILE 1017Cb 0.35 0.00 0.63 0.00 -0.75 0.00 0.00 39.64 39.88 3gtg n ILE 1017CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 3gtg h PRO 1018N 0.00 0.00 0.32 0.38 0.11 -1.78 -2.60 132.00 128.44 3gtg h PRO 1018Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3gtg h PRO 1018Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3gtg h PRO 1018CO 0.00 0.00 -0.16 0.66 -0.21 0.00 0.00 178.00 178.29 3gtg h SER 1019N 0.00 -0.37 0.15 -2.05 4.64 -1.92 -3.35 113.55 110.66 3gtg h SER 1019Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3gtg h SER 1019Cb 0.35 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3gtg h SER 1019CO 0.00 -0.24 -0.21 -2.11 -0.87 0.00 0.00 176.83 173.39 3gtg n ARG 1020N -3.27 1.10 -0.92 4.77 1.85 -1.24 -4.99 116.66 113.96 3gtg n ARG 1020Ca -0.05 -0.69 0.00 0.00 -1.00 0.00 0.00 57.85 56.11 3gtg n ARG 1020Cb 0.17 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.10 3gtg n ARG 1020CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 3gtg n MET 1021N -0.35 -1.51 -1.38 2.89 2.81 -0.98 -4.75 117.12 113.85 3gtg n MET 1021Ca 0.13 0.38 -0.59 0.00 -1.81 0.00 0.00 57.70 55.81 3gtg n MET 1021Cb 0.37 -4.73 -0.10 0.00 -0.71 0.00 0.00 33.22 28.04 3gtg n MET 1021CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3gtg n THR 1022N -2.08 0.06 -0.08 2.03 5.66 -1.26 -4.42 114.28 114.20 3gtg n THR 1022Ca 0.00 -0.06 -0.10 0.00 -3.05 0.00 0.00 64.05 60.84 3gtg n THR 1022Cb 0.38 -0.79 -0.09 0.00 -1.55 0.00 0.00 70.33 68.28 3gtg n THR 1022CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3gtg n VAL 1023N 6.24 0.95 -0.36 1.08 0.31 -1.24 -4.51 118.33 120.79 3gtg n VAL 1023Ca 0.48 -0.42 0.06 0.00 -0.01 0.00 0.00 64.34 64.44 3gtg n VAL 1023Cb 0.03 -0.97 0.22 0.00 -0.91 0.00 0.00 33.84 32.20 3gtg n VAL 1023CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gtg h ALA 1024N 0.18 1.47 -0.80 3.52 0.00 -1.87 -0.91 119.26 120.84 3gtg h ALA 1024Ca -0.37 0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.74 3gtg h ALA 1024Cb 1.65 -0.24 -0.13 0.00 0.00 0.00 0.00 17.79 19.07 3gtg h ALA 1024CO -0.04 0.29 0.15 1.25 0.00 0.00 0.00 179.25 180.90 3gtg h HIS 1025N 1.05 0.20 -0.52 0.00 6.17 -1.88 2.31 115.15 122.47 3gtg h HIS 1025Ca 0.47 0.05 -0.03 0.00 0.71 0.00 0.00 60.37 61.58 3gtg h HIS 1025Cb 0.38 0.04 -0.02 0.00 2.52 0.00 0.00 27.41 30.33 3gtg h HIS 1025CO -0.00 -0.18 0.22 -0.07 0.71 0.00 0.00 177.93 178.60 3gtg h LEU 1026N 0.20 0.72 0.13 0.26 3.38 -1.44 -2.84 115.31 115.71 3gtg h LEU 1026Ca 0.47 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 3gtg h LEU 1026Cb 0.87 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3gtg h LEU 1026CO -0.62 0.68 -0.06 0.40 0.09 0.00 0.00 178.44 178.94 3gtg h ILE 1027N 0.70 1.05 -0.96 1.22 2.04 0.33 0.03 117.51 121.92 3gtg h ILE 1027Ca 0.18 -0.84 0.30 0.00 1.00 0.00 0.00 64.86 65.49 3gtg h ILE 1027Cb 0.18 1.56 -0.15 0.00 -0.74 0.00 0.00 36.82 37.68 3gtg h ILE 1027CO -0.02 0.20 0.43 1.05 0.00 0.00 0.00 178.15 179.81 3gtg h GLU 1028N -0.57 0.25 -0.16 2.37 4.11 0.29 1.74 114.58 122.61 3gtg h GLU 1028Ca -0.02 -0.01 -0.16 0.00 0.07 0.00 0.00 59.36 59.24 3gtg h GLU 1028Cb 0.45 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3gtg h GLU 1028CO 0.03 0.16 -0.56 0.00 0.07 0.00 0.00 179.01 178.71 3gtg n LEU 1030N -3.94 0.07 -0.31 0.00 7.94 0.24 -3.48 117.00 117.53 3gtg n LEU 1030Ca -0.03 0.71 0.05 0.00 -1.11 0.00 0.00 56.01 55.63 3gtg n LEU 1030Cb 0.61 -0.48 0.11 0.00 0.53 0.00 0.00 43.42 44.19 3gtg n LEU 1030CO 0.46 -0.48 0.56 -0.11 -1.11 0.00 0.00 177.39 176.72 3gtg n LEU 1031N -1.93 -0.32 -0.08 -1.96 7.94 0.53 -1.13 117.00 120.04 3gtg n LEU 1031Ca 0.00 1.47 -0.07 0.00 -1.11 0.00 0.00 56.01 56.30 3gtg n LEU 1031Cb 0.00 -0.44 0.00 0.00 0.53 0.00 0.00 43.42 43.51 3gtg n LEU 1031CO 0.00 -1.40 0.89 0.28 -1.11 0.00 0.00 177.39 176.05 3gtg h SER 1032N 0.00 0.01 -0.46 1.96 0.02 -0.46 -1.50 113.55 113.11 3gtg h SER 1032Ca 0.40 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.44 3gtg h SER 1032Cb 0.61 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.16 3gtg h SER 1032CO -0.88 0.04 -0.30 0.50 -1.14 0.00 0.00 176.83 175.05 3gtg h LYS 1033N 0.17 -0.04 -1.43 3.45 3.64 -1.16 0.53 116.57 121.72 3gtg h LYS 1033Ca 0.14 0.00 0.45 0.00 -1.27 0.00 0.00 60.65 59.97 3gtg h LYS 1033Cb 0.15 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 31.87 3gtg h LYS 1033CO -0.19 -0.03 0.97 0.28 -2.27 0.00 0.00 179.45 178.21 3gtg h VAL 1034N -0.04 0.14 -0.12 2.00 2.07 -1.29 0.99 116.25 120.00 3gtg h VAL 1034Ca 0.07 -0.03 -0.18 0.00 0.82 0.00 0.00 66.70 67.39 3gtg h VAL 1034Cb 0.23 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3gtg h VAL 1034CO -0.45 0.01 -0.68 0.00 0.02 0.00 0.00 177.57 176.47 3gtg h ALA 1035N 1.46 0.60 0.17 1.67 0.00 0.33 -2.28 119.26 121.20 3gtg h ALA 1035Ca 0.81 -0.58 -0.30 0.00 0.00 0.00 0.00 54.91 54.84 3gtg h ALA 1035Cb 2.75 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 20.50 3gtg h ALA 1035CO -0.29 0.73 -1.32 0.00 0.00 0.00 0.00 179.25 178.37 3gtg h ALA 1036N 0.90 -0.01 -0.62 0.00 0.00 0.19 0.63 119.26 120.35 3gtg h ALA 1036Ca -0.02 -0.84 0.09 0.00 0.00 0.00 0.00 54.91 54.14 3gtg h ALA 1036Cb 1.25 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 3gtg h ALA 1036CO 0.12 0.80 0.25 -0.07 0.00 0.00 0.00 179.25 180.35 3gtg h LEU 1037N 0.15 0.27 -1.10 0.00 3.38 -1.09 -3.25 115.31 113.68 3gtg h LEU 1037Ca -0.19 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3gtg h LEU 1037Cb 2.02 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.81 3gtg h LEU 1037CO 0.24 0.16 -0.18 -1.54 0.09 0.00 0.00 178.44 177.21 3gtg n SER 1038N -4.97 1.72 0.00 -0.43 3.41 -0.86 -4.98 113.62 107.51 3gtg n SER 1038Ca 0.09 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 3gtg n SER 1038Cb 0.27 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3gtg n SER 1038CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gtg n GLY 1039N 0.95 0.90 1.43 5.00 0.00 0.22 -4.98 105.19 108.72 3gtg n GLY 1039Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 3gtg n GLY 1039CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gtg n ASN 1040N 0.00 -1.11 -4.94 1.61 4.13 -1.18 -4.97 115.26 108.81 3gtg n ASN 1040Ca 0.00 -0.86 -0.26 0.00 1.68 0.00 0.00 54.58 55.14 3gtg n ASN 1040Cb 0.00 -0.40 -0.03 0.00 -1.54 0.00 0.00 39.78 37.81 3gtg n ASN 1040CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3gtg s GLU 1041N -4.03 3.46 -0.32 3.52 2.12 -1.26 -4.67 118.70 117.51 3gtg s GLU 1041Ca 0.29 -0.54 -0.17 0.00 0.36 0.00 0.00 54.97 54.91 3gtg s GLU 1041Cb -0.02 -2.94 -0.01 0.00 0.26 0.00 0.00 34.13 31.42 3gtg s GLU 1041CO 0.22 0.49 0.46 0.20 -0.54 0.00 0.00 175.26 176.09 3gtg s GLY 1042N -3.23 1.85 -0.82 -1.50 0.00 -0.66 -4.91 107.32 98.06 3gtg s GLY 1042Ca 0.35 -0.95 -0.22 0.00 0.00 0.00 0.00 44.72 43.91 3gtg s GLY 1042CO 0.29 1.17 1.14 -0.35 0.00 0.00 0.00 173.10 175.34 3gtg s ASP 1043N 1.70 6.37 0.00 1.64 2.15 -1.26 0.41 116.67 127.68 3gtg s ASP 1043Ca 0.17 -1.33 0.25 0.00 0.43 0.00 0.00 52.55 52.08 3gtg s ASP 1043Cb -0.16 -2.46 0.55 0.00 -0.30 0.00 0.00 42.92 40.55 3gtg s ASP 1043CO 0.12 -1.39 1.44 0.00 -0.17 0.00 0.00 175.17 175.17 3gtg n ALA 1044N 7.78 3.46 -0.86 3.66 0.00 0.30 -4.86 120.51 130.00 3gtg n ALA 1044Ca 0.12 -0.37 -0.34 0.00 0.00 0.00 0.00 53.44 52.85 3gtg n ALA 1044Cb 0.48 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.77 3gtg n ALA 1044CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gtg n SER 1045N -1.29 0.04 0.00 0.00 7.64 -1.04 -1.79 113.62 117.18 3gtg n SER 1045Ca 0.07 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.61 3gtg n SER 1045Cb 0.34 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 3gtg n SER 1045CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3gtg n PRO 1046N 0.95 0.00 -2.56 1.43 -0.02 -1.26 -4.45 135.00 129.09 3gtg n PRO 1046Ca 0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.18 3gtg n PRO 1046Cb 0.04 -0.22 -0.03 0.00 -0.02 0.00 0.00 33.50 33.27 3gtg n PRO 1046CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3gtg s PHE 1047N 0.00 3.59 0.10 6.00 0.40 -1.26 -4.82 117.98 121.99 3gtg s PHE 1047Ca 0.00 1.55 -0.26 0.00 -0.60 0.00 0.00 56.93 57.63 3gtg s PHE 1047Cb 0.00 -3.25 0.09 0.00 0.51 0.00 0.00 43.02 40.36 3gtg s PHE 1047CO 0.00 -0.57 1.11 0.95 0.70 0.00 0.00 175.22 177.41 3gtg s THR 1048N 0.51 0.00 -0.66 0.64 -4.23 -1.26 -5.00 115.64 105.63 3gtg s THR 1048Ca 0.53 -0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 60.53 3gtg s THR 1048Cb -0.27 -2.42 0.14 0.00 1.34 0.00 0.00 72.50 71.30 3gtg s THR 1048CO 0.31 0.00 2.53 0.47 -0.54 0.00 0.00 174.62 177.38 3gtg n ASP 1049N -0.80 6.92 -4.43 3.99 8.00 -1.26 -4.94 116.55 124.03 3gtg n ASP 1049Ca -0.04 -3.36 -0.34 0.00 0.71 0.00 0.00 54.79 51.75 3gtg n ASP 1049Cb 0.61 -1.21 -0.13 0.00 -0.02 0.00 0.00 41.12 40.37 3gtg n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gtg s ILE 1050N -2.85 3.70 0.11 0.53 1.01 -1.26 -5.09 121.20 117.36 3gtg s ILE 1050Ca 0.56 -0.41 0.08 0.00 0.00 0.00 0.00 60.65 60.88 3gtg s ILE 1050Cb 0.37 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 3gtg s ILE 1050CO -0.25 0.46 -0.19 -0.89 0.00 0.00 0.00 174.94 174.07 3gtg s THR 1051N 0.81 1.64 0.20 2.92 2.01 -1.26 -5.02 115.64 116.94 3gtg s THR 1051Ca -0.01 -1.62 0.12 0.00 0.31 0.00 0.00 61.69 60.50 3gtg s THR 1051Cb -0.15 -1.57 -0.00 0.00 0.01 0.00 0.00 72.50 70.80 3gtg s THR 1051CO 0.02 -0.17 1.59 0.58 -0.69 0.00 0.00 174.62 175.95 3gtg h VAL 1052N 3.86 1.30 0.30 3.82 2.07 -1.98 0.14 116.25 125.75 3gtg h VAL 1052Ca -0.44 -2.13 -0.01 0.00 0.82 0.00 0.00 66.70 64.94 3gtg h VAL 1052Cb 1.19 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 3gtg h VAL 1052CO 0.43 0.58 -0.14 -0.33 0.02 0.00 0.00 177.57 178.13 3gtg h GLU 1053N 0.00 -0.38 0.00 1.57 4.39 -1.95 -2.54 114.58 115.66 3gtg h GLU 1053Ca -0.01 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3gtg h GLU 1053Cb 1.14 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3gtg h GLU 1053CO 0.08 -0.06 0.00 0.41 -1.16 0.00 0.00 179.01 178.28 3gtg n GLY 1054N -0.27 -0.95 0.12 -3.84 0.00 -1.13 -1.51 105.19 97.61 3gtg n GLY 1054Ca -0.09 0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 3gtg n GLY 1054CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gtg h ILE 1055N 0.00 1.48 -0.28 -0.61 1.08 -0.76 -3.37 117.51 115.06 3gtg h ILE 1055Ca 0.00 -2.53 0.00 0.00 -0.39 0.00 0.00 64.86 61.94 3gtg h ILE 1055Cb 0.12 3.15 0.00 0.00 -3.07 0.00 0.00 36.82 37.02 3gtg h ILE 1055CO 0.00 0.72 0.00 -1.20 -0.69 0.00 0.00 178.15 176.98 3gtg n SER 1056N -4.08 2.58 -0.02 1.72 7.64 -0.57 -0.63 113.62 120.27 3gtg n SER 1056Ca -0.14 -2.26 -0.03 0.00 1.01 0.00 0.00 58.87 57.45 3gtg n SER 1056Cb 0.85 -0.45 -0.12 0.00 -1.01 0.00 0.00 64.21 63.48 3gtg n SER 1056CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3gtg n LYS 1057N 0.34 0.64 0.03 1.43 5.02 -0.86 -4.10 118.16 120.67 3gtg n LYS 1057Ca 0.12 0.14 0.11 0.00 -2.02 0.00 0.00 58.31 56.66 3gtg n LYS 1057Cb 0.52 -1.70 0.01 0.00 -0.02 0.00 0.00 35.03 33.83 3gtg n LYS 1057CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3gtg n LEU 1058N -2.82 0.60 0.03 -0.35 4.77 0.20 -2.30 117.00 117.13 3gtg n LEU 1058Ca -0.16 -0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.64 3gtg n LEU 1058Cb 0.93 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 41.80 3gtg n LEU 1058CO 0.44 0.03 -0.57 0.25 -1.33 0.00 0.00 177.39 176.21 3gtg h LEU 1059N 0.00 0.35 -1.36 2.23 5.85 -1.45 -3.33 115.31 117.61 3gtg h LEU 1059Ca 0.00 -0.64 -0.06 0.00 0.84 0.00 0.00 57.88 58.02 3gtg h LEU 1059Cb 0.76 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3gtg h LEU 1059CO 0.00 1.55 -0.31 -0.09 -0.34 0.00 0.00 178.44 179.26 3gtg h ARG 1060N 0.06 0.00 0.00 1.25 9.65 -1.71 -0.95 114.38 122.68 3gtg h ARG 1060Ca -0.33 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.49 3gtg h ARG 1060Cb 2.03 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.60 3gtg h ARG 1060CO 0.12 0.31 -0.31 0.93 2.80 0.00 0.00 179.97 183.82 3gtg h GLU 1061N 0.00 0.00 -1.10 0.20 5.08 -1.62 -3.22 114.58 113.92 3gtg h GLU 1061Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 3gtg h GLU 1061Cb 0.61 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.71 3gtg h GLU 1061CO 0.04 0.31 0.36 0.72 -1.00 0.00 0.00 179.01 179.44 3gtg n HIS 1062N -3.39 1.59 -2.60 4.33 8.25 -0.37 -4.88 115.22 118.15 3gtg n HIS 1062Ca 0.00 -1.37 -0.06 0.00 -0.26 0.00 0.00 57.72 56.04 3gtg n HIS 1062Cb 0.51 -0.69 0.01 0.00 1.12 0.00 0.00 29.99 30.95 3gtg n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtg n GLY 1063N -0.22 0.44 3.32 -1.41 0.00 -1.21 -5.02 105.19 101.09 3gtg n GLY 1063Ca 0.31 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 3gtg n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gtg s TYR 1064N -2.86 1.09 -0.46 1.61 1.51 -1.20 -5.05 117.35 112.00 3gtg s TYR 1064Ca 0.11 -1.29 -0.28 0.00 -1.01 0.00 0.00 57.07 54.60 3gtg s TYR 1064Cb -0.05 -0.39 0.01 0.00 -0.11 0.00 0.00 41.96 41.42 3gtg s TYR 1064CO 0.14 -0.80 1.46 -1.14 -1.11 0.00 0.00 175.55 174.10 3gtg s GLN 1065N -3.90 3.44 0.53 -0.62 2.00 -1.26 -4.34 119.66 115.50 3gtg s GLN 1065Ca 0.35 0.82 0.42 0.00 -2.00 0.00 0.00 55.36 54.95 3gtg s GLN 1065Cb 0.04 -4.08 1.62 0.00 0.80 0.00 0.00 33.01 31.39 3gtg s GLN 1065CO 0.15 -1.75 1.65 0.66 -0.50 0.00 0.00 175.29 175.50 3gtg h SER 1066N 11.16 0.06 -0.25 6.67 4.64 -1.91 0.45 113.55 134.37 3gtg h SER 1066Ca -0.28 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3gtg h SER 1066Cb 1.11 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3gtg h SER 1066CO 1.11 -0.03 0.00 0.54 -0.87 0.00 0.00 176.83 177.58 3gtg n ARG 1067N -4.16 2.00 -0.27 4.77 5.12 -1.26 -4.46 116.66 118.40 3gtg n ARG 1067Ca 0.38 -1.88 0.00 0.00 -1.93 0.00 0.00 57.85 54.42 3gtg n ARG 1067Cb 1.68 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 31.62 3gtg n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gtg n GLY 1068N 0.98 1.72 3.92 -0.13 0.00 0.16 -5.00 105.19 106.84 3gtg n GLY 1068Ca 0.13 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3gtg n GLY 1068CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gtg s PHE 1069N -2.00 3.48 -0.24 1.61 0.40 -1.25 -3.55 117.98 116.43 3gtg s PHE 1069Ca 0.00 0.47 -0.03 0.00 -0.60 0.00 0.00 56.93 56.77 3gtg s PHE 1069Cb 0.00 -1.96 0.12 0.00 0.51 0.00 0.00 43.02 41.69 3gtg s PHE 1069CO 0.00 0.32 0.28 -1.21 0.70 0.00 0.00 175.22 175.32 3gtg s GLU 1070N -3.29 0.27 -0.44 0.44 2.02 -0.64 -4.40 118.70 112.67 3gtg s GLU 1070Ca 0.41 0.22 -0.45 0.00 0.02 0.00 0.00 54.97 55.17 3gtg s GLU 1070Cb -0.11 -0.87 -0.19 0.00 0.10 0.00 0.00 34.13 33.07 3gtg s GLU 1070CO 0.28 -0.74 1.71 0.28 0.02 0.00 0.00 175.26 176.81 3gtg n VAL 1071N 5.33 0.09 -4.37 2.63 0.31 -1.26 -3.47 118.33 117.59 3gtg n VAL 1071Ca -0.04 -0.02 -0.21 0.00 -0.01 0.00 0.00 64.34 64.06 3gtg n VAL 1071Cb 0.49 -0.72 -0.11 0.00 -0.91 0.00 0.00 33.84 32.59 3gtg n VAL 1071CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3gtg s MET 1072N 3.52 1.38 0.23 5.55 -1.94 -1.26 -4.15 119.30 122.63 3gtg s MET 1072Ca 1.05 -1.54 0.11 0.00 -1.71 0.00 0.00 55.69 53.60 3gtg s MET 1072Cb -1.37 -1.36 -0.05 0.00 2.01 0.00 0.00 34.83 34.07 3gtg s MET 1072CO 0.75 0.26 -0.19 0.71 -0.01 0.00 0.00 175.02 176.54 3gtg s TYR 1073N -2.45 2.37 0.31 -0.03 1.51 -0.62 -0.03 117.35 118.41 3gtg s TYR 1073Ca 0.21 -0.32 -0.26 0.00 -1.01 0.00 0.00 57.07 55.69 3gtg s TYR 1073Cb -0.04 -1.10 -0.10 0.00 -0.11 0.00 0.00 41.96 40.61 3gtg s TYR 1073CO 0.08 0.60 0.92 1.21 -1.11 0.00 0.00 175.55 177.25 3gtg s ASN 1074N -3.10 7.32 0.00 2.29 3.84 -1.13 -2.91 114.94 121.25 3gtg s ASN 1074Ca 0.26 1.80 -0.02 0.00 0.21 0.00 0.00 52.86 55.11 3gtg s ASN 1074Cb -0.07 -2.56 -0.01 0.00 -0.55 0.00 0.00 41.25 38.06 3gtg s ASN 1074CO 0.13 -0.05 1.02 1.23 -2.79 0.00 0.00 177.10 176.65 3gtg h GLY 1075N 3.23 -0.39 1.72 1.21 0.00 -1.76 0.87 103.07 107.95 3gtg h GLY 1075Ca -0.47 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.05 3gtg h GLY 1075CO 0.65 -0.14 0.12 0.45 0.00 0.00 0.00 176.54 177.61 3gtg h HIS 1076N -0.05 0.00 0.00 5.60 3.86 -1.79 -3.35 115.15 119.42 3gtg h HIS 1076Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3gtg h HIS 1076Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3gtg h HIS 1076CO 0.07 0.00 -0.73 -2.37 0.86 0.00 0.00 177.93 175.76 3gtg n THR 1077N -3.69 0.00 -2.46 2.45 5.66 -1.23 -5.04 114.28 109.98 3gtg n THR 1077Ca -0.01 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.87 3gtg n THR 1077Cb 0.21 -0.53 0.01 0.00 -1.55 0.00 0.00 70.33 68.47 3gtg n THR 1077CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gtg n GLY 1078N 2.68 -0.04 3.57 1.09 0.00 0.30 -4.94 105.19 107.85 3gtg n GLY 1078Ca 0.00 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 3gtg n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gtg s LYS 1079N -4.88 3.80 -0.41 1.61 2.20 -1.26 -4.73 119.74 116.06 3gtg s LYS 1079Ca 0.09 -0.37 -0.38 0.00 -0.36 0.00 0.00 55.97 54.95 3gtg s LYS 1079Cb -0.04 -3.71 -0.16 0.00 -1.51 0.00 0.00 37.83 32.41 3gtg s LYS 1079CO 0.11 -0.30 1.43 1.17 -0.36 0.00 0.00 175.35 177.40 3gtg n LYS 1080N 5.14 0.00 -2.02 4.03 4.81 -1.26 -2.85 118.16 126.01 3gtg n LYS 1080Ca -0.12 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.90 3gtg n LYS 1080Cb 0.51 -1.23 -0.03 0.00 0.02 0.00 0.00 35.03 34.30 3gtg n LYS 1080CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3gtg s LEU 1081N 3.11 4.37 0.32 3.14 1.43 0.95 -4.90 118.68 127.10 3gtg s LEU 1081Ca 0.89 2.49 -0.00 0.00 -1.03 0.00 0.00 54.13 56.48 3gtg s LEU 1081Cb -1.23 -3.59 0.52 0.00 0.03 0.00 0.00 46.19 41.93 3gtg s LEU 1081CO 0.64 -0.77 1.98 -0.03 0.23 0.00 0.00 176.35 178.39 3gtg h MET 1082N 6.99 0.99 -5.44 1.70 4.05 -1.87 -3.39 114.93 117.96 3gtg h MET 1082Ca -0.42 -0.06 -0.65 0.00 -0.28 0.00 0.00 59.70 58.29 3gtg h MET 1082Cb 1.20 -0.22 -0.23 0.00 -0.80 0.00 0.00 31.60 31.55 3gtg h MET 1082CO 0.90 0.65 -0.71 0.00 0.23 0.00 0.00 176.91 177.98 3gtg s ALA 1083N -5.86 2.85 0.92 0.39 0.00 -1.26 -5.11 121.76 113.69 3gtg s ALA 1083Ca -0.11 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 3gtg s ALA 1083Cb 0.18 -1.37 0.15 0.00 0.00 0.00 0.00 23.12 22.08 3gtg s ALA 1083CO 0.78 0.28 1.10 -0.65 0.00 0.00 0.00 175.76 177.27 3gtg s GLN 1084N 0.18 1.02 -0.03 0.00 1.11 -1.26 -4.76 119.66 115.92 3gtg s GLN 1084Ca -0.04 1.11 0.01 0.00 0.01 0.00 0.00 55.36 56.45 3gtg s GLN 1084Cb -0.14 -1.76 0.02 0.00 -1.01 0.00 0.00 33.01 30.11 3gtg s GLN 1084CO 0.04 -2.49 -0.04 0.42 0.01 0.00 0.00 175.29 173.23 3gtg s ILE 1085N -2.77 0.43 0.03 1.08 1.01 -1.23 -4.86 121.20 114.89 3gtg s ILE 1085Ca 0.65 -0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.88 3gtg s ILE 1085Cb -0.20 -0.44 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 3gtg s ILE 1085CO 0.58 0.18 1.17 0.12 0.00 0.00 0.00 174.94 176.99 3gtg s PHE 1086N 0.62 3.41 -0.29 3.97 5.36 -1.26 -1.61 117.98 128.18 3gtg s PHE 1086Ca -0.08 1.33 -0.19 0.00 -0.96 0.00 0.00 56.93 57.04 3gtg s PHE 1086Cb -0.11 -3.38 0.14 0.00 -0.34 0.00 0.00 43.02 39.33 3gtg s PHE 1086CO -0.00 -1.12 1.01 0.12 -1.46 0.00 0.00 175.22 173.77 3gtg s PHE 1087N 1.32 -0.52 0.00 10.12 5.36 -1.23 -0.64 117.98 132.39 3gtg s PHE 1087Ca 0.57 1.09 0.00 0.00 -0.96 0.00 0.00 56.93 57.64 3gtg s PHE 1087Cb -0.27 0.35 0.00 0.00 -0.34 0.00 0.00 43.02 42.76 3gtg s PHE 1087CO 0.27 -0.25 0.00 0.41 -1.46 0.00 0.00 175.22 174.19 3gtg n GLY 1088N 3.17 0.65 3.69 13.12 0.00 0.20 -4.91 105.19 121.10 3gtg n GLY 1088Ca -0.16 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 3gtg n GLY 1088CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gtg s PRO 1089N -0.93 4.41 -0.30 1.61 0.02 -1.26 0.86 135.00 139.42 3gtg s PRO 1089Ca 0.00 1.49 0.03 0.00 0.02 0.00 0.00 61.00 62.54 3gtg s PRO 1089Cb 0.00 -3.54 0.17 0.00 0.02 0.00 0.00 34.50 31.15 3gtg s PRO 1089CO 0.00 -0.34 0.46 0.99 -0.33 0.00 0.00 177.00 177.78 3gtg s THR 1090N 1.99 -0.73 0.02 0.99 2.01 0.31 -4.10 115.64 116.13 3gtg s THR 1090Ca 0.51 -0.23 -0.37 0.00 0.31 0.00 0.00 61.69 61.91 3gtg s THR 1090Cb -0.21 -0.96 -0.16 0.00 0.01 0.00 0.00 72.50 71.19 3gtg s THR 1090CO 0.20 -0.21 1.48 0.00 -0.69 0.00 0.00 174.62 175.39 3gtg n TYR 1091N 5.31 1.77 -4.58 4.92 9.36 -1.26 -4.14 117.16 128.54 3gtg n TYR 1091Ca 0.02 0.53 -0.29 0.00 3.32 0.00 0.00 57.90 61.48 3gtg n TYR 1091Cb 0.51 -2.40 -0.17 0.00 -0.63 0.00 0.00 39.34 36.65 3gtg n TYR 1091CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 3gtg s TYR 1092N 1.27 2.07 1.32 2.98 1.51 -0.82 -4.27 117.35 121.41 3gtg s TYR 1092Ca 0.86 -0.95 -0.18 0.00 -1.01 0.00 0.00 57.07 55.79 3gtg s TYR 1092Cb -0.92 -1.47 0.34 0.00 -0.11 0.00 0.00 41.96 39.80 3gtg s TYR 1092CO 0.49 -0.47 0.96 -0.65 -1.11 0.00 0.00 175.55 174.78 3gtg s GLN 1093N 0.87 -2.12 -0.07 -0.62 -1.52 -1.07 -2.65 119.66 112.48 3gtg s GLN 1093Ca -0.09 0.50 -0.01 0.00 -1.95 0.00 0.00 55.36 53.82 3gtg s GLN 1093Cb -0.15 -1.44 0.03 0.00 -0.22 0.00 0.00 33.01 31.22 3gtg s GLN 1093CO 0.00 -4.43 -0.02 0.50 -0.25 0.00 0.00 175.29 171.09 3gtg s ARG 1094N -4.71 0.73 0.16 2.91 3.52 -1.26 -4.60 118.95 115.70 3gtg s ARG 1094Ca 0.69 0.02 -0.04 0.00 -0.13 0.00 0.00 55.73 56.27 3gtg s ARG 1094Cb -0.20 -0.97 -0.05 0.00 -1.56 0.00 0.00 34.95 32.17 3gtg s ARG 1094CO 0.62 -0.23 0.38 -0.51 -0.81 0.00 0.00 175.30 174.75 3gtg s LEU 1095N 1.62 4.25 0.16 -0.88 1.43 -1.20 -1.55 118.68 122.50 3gtg s LEU 1095Ca -0.00 0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 53.33 3gtg s LEU 1095Cb -0.13 -3.28 -0.06 0.00 0.03 0.00 0.00 46.19 42.76 3gtg s LEU 1095CO -0.04 0.02 1.55 -0.09 0.23 0.00 0.00 176.35 178.02 3gtg h ARG 1096N 2.56 -0.14 -4.43 1.70 1.12 -0.64 -3.42 114.38 111.14 3gtg h ARG 1096Ca -0.46 0.01 -0.49 0.00 -1.11 0.00 0.00 59.98 57.92 3gtg h ARG 1096Cb 1.17 0.03 0.08 0.00 -0.01 0.00 0.00 29.97 31.25 3gtg h ARG 1096CO 0.71 -0.09 -0.41 0.72 -3.11 0.00 0.00 179.97 177.79 3gtg n HIS 1097N -5.31 -0.43 -4.11 2.20 8.25 -1.26 -4.91 115.22 109.64 3gtg n HIS 1097Ca 0.01 0.70 -0.14 0.00 -0.26 0.00 0.00 57.72 58.03 3gtg n HIS 1097Cb 0.30 -1.44 -0.06 0.00 1.12 0.00 0.00 29.99 29.91 3gtg n HIS 1097CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3gtg s MET 1098N -0.74 1.69 -0.15 -0.41 -1.94 -1.26 -3.26 119.30 113.23 3gtg s MET 1098Ca 0.47 -1.66 -0.16 0.00 -1.71 0.00 0.00 55.69 52.63 3gtg s MET 1098Cb -0.67 0.40 -0.23 0.00 2.01 0.00 0.00 34.83 36.34 3gtg s MET 1098CO 0.42 -0.67 0.35 -0.39 -0.01 0.00 0.00 175.02 174.72 3gtg h VAL 1099N 2.23 0.87 0.00 -6.03 -1.51 -1.94 -3.35 116.25 106.52 3gtg h VAL 1099Ca -0.29 -2.28 0.00 0.00 -1.23 0.00 0.00 66.70 62.90 3gtg h VAL 1099Cb 1.24 2.45 0.00 0.00 -2.13 0.00 0.00 31.29 32.85 3gtg h VAL 1099CO 0.40 0.59 0.00 0.47 -1.23 0.00 0.00 177.57 177.81 3gtg n ASP 1100N -4.02 0.20 -0.90 4.19 8.00 -1.26 -0.78 116.55 121.98 3gtg n ASP 1100Ca -0.30 0.54 0.10 0.00 0.71 0.00 0.00 54.79 55.84 3gtg n ASP 1100Cb 0.84 -0.59 0.13 0.00 -0.02 0.00 0.00 41.12 41.49 3gtg n ASP 1100CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3gtg n ASP 1101N -1.72 2.94 -0.06 -2.24 8.00 -1.26 -4.13 116.55 118.07 3gtg n ASP 1101Ca 0.04 -1.89 -0.07 0.00 0.71 0.00 0.00 54.79 53.58 3gtg n ASP 1101Cb 0.23 -0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 41.15 3gtg n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gtg n LYS 1102N 1.20 1.47 -1.45 -1.24 4.76 -0.54 -5.00 118.16 117.36 3gtg n LYS 1102Ca 0.14 0.03 -0.59 0.00 -2.87 0.00 0.00 58.31 55.02 3gtg n LYS 1102Cb 0.52 -1.29 -0.09 0.00 -1.84 0.00 0.00 35.03 32.33 3gtg n LYS 1102CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3gtg n ILE 1103N -2.61 0.00 -3.87 -0.18 5.41 0.04 -4.93 119.36 113.22 3gtg n ILE 1103Ca -0.21 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.43 3gtg n ILE 1103Cb 0.83 -0.44 -0.10 0.00 -0.71 0.00 0.00 39.64 39.22 3gtg n ILE 1103CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3gtg s HIS 1104N 3.31 0.04 0.00 1.39 5.65 -1.26 -5.02 115.29 119.39 3gtg s HIS 1104Ca 0.96 -0.12 -0.29 0.00 0.25 0.00 0.00 55.06 55.87 3gtg s HIS 1104Cb -1.33 -0.05 0.07 0.00 -1.18 0.00 0.00 32.58 30.09 3gtg s HIS 1104CO 0.69 -0.29 0.65 0.00 -0.65 0.00 0.00 174.74 175.15 3gtg s ALA 1105N -1.37 -1.70 0.05 1.58 0.00 -1.26 -5.18 121.76 113.89 3gtg s ALA 1105Ca -0.15 1.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.83 3gtg s ALA 1105Cb -0.07 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 3gtg s ALA 1105CO 0.02 -0.46 0.14 0.50 0.00 0.00 0.00 175.76 175.95 3gtg s ARG 1106N -1.81 0.67 -0.46 0.00 3.52 -1.26 -4.89 118.95 114.73 3gtg s ARG 1106Ca -0.08 -0.78 0.06 0.00 -0.13 0.00 0.00 55.73 54.80 3gtg s ARG 1106Cb -0.00 0.27 0.32 0.00 -1.56 0.00 0.00 34.95 33.98 3gtg s ARG 1106CO 0.04 -0.19 1.11 0.00 -0.81 0.00 0.00 175.30 175.46 3gtg n ALA 1107N 0.54 -0.70 0.00 6.12 0.00 -1.26 -5.02 120.51 120.20 3gtg n ALA 1107Ca -0.18 -1.50 0.00 0.00 0.00 0.00 0.00 53.44 51.76 3gtg n ALA 1107Cb 0.59 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3gtg n ALA 1107CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3gtg n ARG 1108N 0.35 0.00 0.00 0.00 0.63 -1.26 -5.09 116.66 111.28 3gtg n ARG 1108Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 3gtg n ARG 1108Cb 0.70 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.61 3gtg n ARG 1108CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gtg n GLY 1109N -0.30 1.38 3.57 5.14 0.00 -1.26 -5.00 105.19 108.73 3gtg n GLY 1109Ca 0.00 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 3gtg n GLY 1109CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gtg s PRO 1110N 0.00 2.91 0.34 1.61 0.02 -1.26 -5.01 135.00 133.61 3gtg s PRO 1110Ca 0.00 1.08 0.07 0.00 0.02 0.00 0.00 61.00 62.17 3gtg s PRO 1110Cb 0.00 -4.32 -0.01 0.00 0.02 0.00 0.00 34.50 30.20 3gtg s PRO 1110CO 0.00 -2.37 0.47 -1.64 -0.33 0.00 0.00 177.00 173.13 3gtg s MET 1111N 6.50 3.08 0.40 5.54 -1.94 -1.26 -2.25 119.30 129.38 3gtg s MET 1111Ca 0.76 -1.04 -0.07 0.00 -1.71 0.00 0.00 55.69 53.63 3gtg s MET 1111Cb -0.18 -2.81 0.09 0.00 2.01 0.00 0.00 34.83 33.95 3gtg s MET 1111CO 0.27 0.04 0.54 1.04 -0.01 0.00 0.00 175.02 176.89 3gtg n GLN 1112N -1.65 -0.61 -0.12 2.03 6.02 0.30 -4.59 117.38 118.77 3gtg n GLN 1112Ca 0.01 -0.83 -0.14 0.00 -0.01 0.00 0.00 57.00 56.03 3gtg n GLN 1112Cb 0.58 -0.56 -0.14 0.00 1.02 0.00 0.00 30.24 31.14 3gtg n GLN 1112CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3gtg n VAL 1113N -2.79 1.44 -0.05 5.09 0.24 -1.26 -4.15 118.33 116.85 3gtg n VAL 1113Ca 0.07 -0.71 -0.08 0.00 -2.04 0.00 0.00 64.34 61.58 3gtg n VAL 1113Cb 0.23 -0.96 -0.04 0.00 -1.47 0.00 0.00 33.84 31.60 3gtg n VAL 1113CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3gtg n LEU 1114N -3.02 1.91 -0.03 1.34 7.94 -1.26 -4.67 117.00 119.21 3gtg n LEU 1114Ca -0.40 0.03 -0.14 0.00 -1.11 0.00 0.00 56.01 54.39 3gtg n LEU 1114Cb 1.07 -0.31 -0.11 0.00 0.53 0.00 0.00 43.42 44.60 3gtg n LEU 1114CO 0.34 0.44 0.46 0.74 -1.11 0.00 0.00 177.39 178.26 3gtg h THR 1115N -0.17 1.52 -0.20 1.96 2.02 -1.98 -3.48 112.91 112.58 3gtg h THR 1115Ca -0.23 -1.77 -0.09 0.00 0.77 0.00 0.00 66.41 65.09 3gtg h THR 1115Cb 1.27 2.62 -0.03 0.00 -1.74 0.00 0.00 68.15 70.27 3gtg h THR 1115CO -0.09 0.48 -0.08 0.54 0.37 0.00 0.00 175.52 176.74 3gtg n ARG 1116N -4.58 -0.84 -1.83 6.66 3.00 -1.26 -4.27 116.66 113.54 3gtg n ARG 1116Ca -0.09 0.50 -0.29 0.00 -0.01 0.00 0.00 57.85 57.96 3gtg n ARG 1116Cb 0.44 -4.30 0.09 0.00 0.00 0.00 0.00 32.46 28.69 3gtg n ARG 1116CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3gtg s GLN 1117N -1.76 1.99 0.51 5.56 -0.21 -1.26 -4.18 119.66 120.31 3gtg s GLN 1117Ca 0.00 0.21 -0.21 0.00 0.02 0.00 0.00 55.36 55.38 3gtg s GLN 1117Cb 0.00 -1.94 -0.06 0.00 1.00 0.00 0.00 33.01 32.00 3gtg s GLN 1117CO 0.00 -1.60 1.16 -2.14 -2.12 0.00 0.00 175.29 170.59 3gtg s PRO 1118N -5.49 3.47 0.60 2.91 0.02 -1.26 0.11 135.00 135.37 3gtg s PRO 1118Ca 0.62 1.72 -0.15 0.00 0.02 0.00 0.00 61.00 63.20 3gtg s PRO 1118Cb -0.12 -2.17 -0.03 0.00 0.02 0.00 0.00 34.50 32.20 3gtg s PRO 1118CO 0.50 -0.77 1.06 0.14 -0.33 0.00 0.00 177.00 177.59 3gtg s VAL 1119N -1.65 3.84 0.42 3.83 -7.23 -0.95 -4.61 120.40 114.06 3gtg s VAL 1119Ca 0.69 0.84 -0.01 0.00 -1.81 0.00 0.00 61.98 61.69 3gtg s VAL 1119Cb -0.27 -3.39 -0.02 0.00 0.56 0.00 0.00 36.38 33.26 3gtg s VAL 1119CO 0.31 -0.55 0.66 -0.70 -0.31 0.00 0.00 175.10 174.51 3gtg s GLU 1120N -4.19 3.36 0.00 4.82 2.12 -1.26 -3.03 118.70 120.51 3gtg s GLU 1120Ca 0.63 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.74 3gtg s GLU 1120Cb -0.16 -2.54 0.00 0.00 0.26 0.00 0.00 34.13 31.69 3gtg s GLU 1120CO 0.39 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.42 3gtg n GLY 1121N -2.03 -2.12 0.00 -1.50 0.00 -1.26 -4.53 105.19 93.75 3gtg n GLY 1121Ca -0.01 -1.38 0.10 0.00 0.00 0.00 0.00 46.02 44.73 3gtg n GLY 1121CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gtg n ARG 1122N -1.12 0.09 0.00 1.61 1.85 -1.26 -1.57 116.66 116.26 3gtg n ARG 1122Ca 0.00 -0.02 0.14 0.00 -1.00 0.00 0.00 57.85 56.97 3gtg n ARG 1122Cb 0.00 -1.51 0.70 0.00 -1.05 0.00 0.00 32.46 30.60 3gtg n ARG 1122CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3gtg n SER 1123N -1.62 0.00 -0.17 2.89 3.41 -1.26 -1.86 113.62 115.01 3gtg n SER 1123Ca 0.03 -0.06 0.02 0.00 -0.26 0.00 0.00 58.87 58.60 3gtg n SER 1123Cb 0.36 -0.30 0.02 0.00 -0.26 0.00 0.00 64.21 64.03 3gtg n SER 1123CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gtg n ARG 1124N -1.30 -0.19 -2.83 4.33 3.00 -1.24 -5.04 116.66 113.39 3gtg n ARG 1124Ca 0.13 -0.81 -0.00 0.00 -0.01 0.00 0.00 57.85 57.15 3gtg n ARG 1124Cb 0.23 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 31.61 3gtg n ARG 1124CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3gtg n ASP 1125N 0.20 -6.98 -4.38 0.55 2.03 -0.78 -4.83 116.55 102.36 3gtg n ASP 1125Ca 0.02 -0.03 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 3gtg n ASP 1125Cb 0.12 -4.70 -0.11 0.00 -0.72 0.00 0.00 41.12 35.71 3gtg n ASP 1125CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3gtg s GLY 1126N -2.83 1.57 0.69 0.27 0.00 -0.61 -4.49 107.32 101.91 3gtg s GLY 1126Ca 0.01 -1.66 -0.11 0.00 0.00 0.00 0.00 44.72 42.96 3gtg s GLY 1126CO 0.64 -1.73 1.06 -0.32 0.00 0.00 0.00 173.10 172.75 3gtg s GLY 1127N -3.08 1.65 0.41 0.20 0.00 -1.17 -4.76 107.32 100.57 3gtg s GLY 1127Ca 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.84 3gtg s GLY 1127CO 0.09 0.25 0.66 1.08 0.00 0.00 0.00 173.10 175.18 3gtg s LEU 1128N -5.44 3.83 -0.06 0.66 1.43 -1.26 -4.75 118.68 113.09 3gtg s LEU 1128Ca 0.57 0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 54.08 3gtg s LEU 1128Cb -0.13 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 3gtg s LEU 1128CO 0.54 -0.43 0.91 -0.60 0.23 0.00 0.00 176.35 177.00 3gtg s ARG 1129N -4.51 4.46 -0.87 1.70 3.52 -1.26 -4.98 118.95 117.01 3gtg s ARG 1129Ca 0.43 1.25 0.00 0.00 -0.13 0.00 0.00 55.73 57.29 3gtg s ARG 1129Cb -0.10 -3.49 0.28 0.00 -1.56 0.00 0.00 34.95 30.07 3gtg s ARG 1129CO 0.40 -0.13 1.11 0.34 -0.81 0.00 0.00 175.30 176.20 3gtg n PHE 1130N 4.34 3.04 -1.73 5.12 7.35 -1.26 -5.07 117.46 129.26 3gtg n PHE 1130Ca 0.05 -3.40 -0.30 0.00 -0.76 0.00 0.00 57.45 53.04 3gtg n PHE 1130Cb 0.50 -0.95 0.07 0.00 0.35 0.00 0.00 39.48 39.46 3gtg n PHE 1130CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3gtg s GLY 1131N -1.94 1.62 0.22 7.13 0.00 -1.26 -4.63 107.32 108.46 3gtg s GLY 1131Ca 0.35 -0.29 -0.18 0.00 0.00 0.00 0.00 44.72 44.59 3gtg s GLY 1131CO 0.04 0.11 1.56 0.83 0.00 0.00 0.00 173.10 175.64 3gtg h GLU 1132N -0.88 -0.05 -1.22 2.90 5.08 -1.97 1.16 114.58 119.60 3gtg h GLU 1132Ca -0.46 0.00 0.37 0.00 -1.00 0.00 0.00 59.36 58.27 3gtg h GLU 1132Cb 1.26 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.46 3gtg h GLU 1132CO 0.62 -0.03 0.86 -1.33 -1.00 0.00 0.00 179.01 178.12 3gtg n MET 1133N -5.47 -0.01 -0.09 2.33 2.81 -1.26 0.34 117.12 115.78 3gtg n MET 1133Ca 0.09 0.77 -0.14 0.00 -1.81 0.00 0.00 57.70 56.61 3gtg n MET 1133Cb 0.39 -1.69 -0.08 0.00 -0.71 0.00 0.00 33.22 31.13 3gtg n MET 1133CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3gtg h GLU 1134N 0.00 0.00 -0.95 0.03 3.07 0.11 -3.38 114.58 113.46 3gtg h GLU 1134Ca 0.63 0.00 0.39 0.00 -0.50 0.00 0.00 59.36 59.87 3gtg h GLU 1134Cb 2.38 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 30.12 3gtg h GLU 1134CO -0.10 0.62 0.47 -2.13 -1.40 0.00 0.00 179.01 176.48 3gtg n ARG 1135N -4.54 -0.06 0.05 2.33 0.63 0.15 0.20 116.66 115.43 3gtg n ARG 1135Ca -0.19 1.31 -0.10 0.00 -0.92 0.00 0.00 57.85 57.95 3gtg n ARG 1135Cb 0.48 -2.34 -0.06 0.00 0.45 0.00 0.00 32.46 30.98 3gtg n ARG 1135CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3gtg h ASP 1136N 0.00 -1.07 0.41 6.15 3.32 -1.25 -2.23 116.42 121.75 3gtg h ASP 1136Ca 0.79 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.95 3gtg h ASP 1136Cb 2.05 0.40 0.00 0.00 0.22 0.00 0.00 39.33 42.01 3gtg h ASP 1136CO -0.74 -0.35 0.00 0.00 -1.72 0.00 0.00 179.24 176.43 3gtg h MET 1138N 0.00 0.80 -0.38 0.00 2.86 -0.82 -3.17 114.93 114.23 3gtg h MET 1138Ca 0.00 -0.52 -0.11 0.00 -2.06 0.00 0.00 59.70 57.01 3gtg h MET 1138Cb 0.20 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3gtg h MET 1138CO 0.00 1.15 -0.18 0.82 1.06 0.00 0.00 176.91 179.76 3gtg h ILE 1139N 0.61 1.28 -0.99 -1.22 2.04 -0.67 -2.98 117.51 115.58 3gtg h ILE 1139Ca 0.01 -1.31 0.35 0.00 1.00 0.00 0.00 64.86 64.91 3gtg h ILE 1139Cb 1.17 1.32 -0.16 0.00 -0.74 0.00 0.00 36.82 38.41 3gtg h ILE 1139CO 0.12 0.43 0.49 0.00 0.00 0.00 0.00 178.15 179.20 3gtg h ALA 1140N 0.80 1.93 0.00 1.87 0.00 -1.38 0.88 119.26 123.37 3gtg h ALA 1140Ca 0.08 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3gtg h ALA 1140Cb 0.73 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3gtg h ALA 1140CO 0.06 -0.71 -0.01 0.72 0.00 0.00 0.00 179.25 179.30 3gtg n HIS 1141N -5.18 0.68 -0.02 0.00 8.25 -1.14 -4.91 115.22 112.90 3gtg n HIS 1141Ca 0.33 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.98 3gtg n HIS 1141Cb 1.06 -0.82 0.00 0.00 1.12 0.00 0.00 29.99 31.35 3gtg n HIS 1141CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtg n GLY 1142N 1.36 2.18 3.55 -1.41 0.00 0.31 -4.92 105.19 106.26 3gtg n GLY 1142Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3gtg n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtg s ALA 1143N -2.49 1.55 -0.16 4.61 0.00 -1.21 -4.73 121.76 119.32 3gtg s ALA 1143Ca 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.55 3gtg s ALA 1143Cb 0.00 -4.41 -0.14 0.00 0.00 0.00 0.00 23.12 18.58 3gtg s ALA 1143CO 0.00 -4.70 -0.09 0.00 0.00 0.00 0.00 175.76 170.98 3gtg n ALA 1144N 15.63 1.63 0.25 0.00 0.00 -1.26 -4.03 120.51 132.73 3gtg n ALA 1144Ca 0.36 -0.81 0.13 0.00 0.00 0.00 0.00 53.44 53.11 3gtg n ALA 1144Cb 0.51 0.04 0.65 0.00 0.00 0.00 0.00 19.45 20.65 3gtg n ALA 1144CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gtg h SER 1145N 0.00 0.00 -0.15 0.00 0.87 -2.00 -2.06 113.55 110.20 3gtg h SER 1145Ca -0.39 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.15 3gtg h SER 1145Cb 1.70 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.65 3gtg h SER 1145CO -0.03 0.14 0.02 0.15 -0.53 0.00 0.00 176.83 176.57 3gtg h PHE 1146N 0.00 0.28 0.00 2.24 3.57 -1.96 -3.15 116.94 117.92 3gtg h PHE 1146Ca -0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3gtg h PHE 1146Cb 0.50 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.16 3gtg h PHE 1146CO 0.00 0.45 0.00 -0.11 -2.23 0.00 0.00 178.31 176.42 3gtg n LEU 1147N -4.78 0.25 -0.03 0.59 0.00 -0.89 -1.28 117.00 110.86 3gtg n LEU 1147Ca -0.05 0.55 -0.13 0.00 0.00 0.00 0.00 56.01 56.38 3gtg n LEU 1147Cb 0.19 -0.49 -0.01 0.00 0.00 0.00 0.00 43.42 43.11 3gtg n LEU 1147CO 0.36 -0.25 0.41 0.50 0.00 0.00 0.00 177.39 178.41 3gtg h LYS 1148N 0.00 0.71 -0.05 1.96 3.64 -1.35 -3.31 116.57 118.17 3gtg h LYS 1148Ca 0.00 -0.48 -0.14 0.00 -1.27 0.00 0.00 60.65 58.75 3gtg h LYS 1148Cb 0.40 0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3gtg h LYS 1148CO 0.00 1.10 -0.53 1.49 -2.27 0.00 0.00 179.45 179.25 3gtg h GLU 1149N 0.53 0.44 -0.04 1.90 4.81 -1.24 -1.34 114.58 119.64 3gtg h GLU 1149Ca -0.00 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3gtg h GLU 1149Cb 1.20 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3gtg h GLU 1149CO 0.12 1.06 0.00 0.54 -0.73 0.00 0.00 179.01 180.00 3gtg n ARG 1150N -4.25 0.22 0.00 1.92 5.12 -0.40 -2.36 116.66 116.91 3gtg n ARG 1150Ca -0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 3gtg n ARG 1150Cb 0.62 -1.02 0.00 0.00 -1.16 0.00 0.00 32.46 30.90 3gtg n ARG 1150CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3gtg n LEU 1151N -0.33 0.00 0.00 0.55 4.32 -1.05 -4.97 117.00 115.52 3gtg n LEU 1151Ca 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 3gtg n LEU 1151Cb 0.01 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 3gtg n LEU 1151CO 0.00 0.11 0.00 0.23 -1.22 0.00 0.00 177.39 176.51 3gtg n MET 1152N 0.00 0.00 -0.12 3.23 2.81 -0.53 -4.65 117.12 117.85 3gtg n MET 1152Ca 0.00 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.84 3gtg n MET 1152Cb 0.35 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.87 3gtg n MET 1152CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3gtg h GLU 1153N 0.00 -0.12 -3.56 0.03 3.07 -1.74 -3.07 114.58 109.19 3gtg h GLU 1153Ca 0.00 0.01 -0.75 0.00 -0.50 0.00 0.00 59.36 58.12 3gtg h GLU 1153Cb 0.00 0.03 -0.31 0.00 -0.84 0.00 0.00 28.75 27.63 3gtg h GLU 1153CO 0.00 -0.08 0.04 0.00 -1.40 0.00 0.00 179.01 177.57 3gtg s ALA 1154N -6.14 4.20 0.00 3.43 0.00 -1.18 -4.83 121.76 117.24 3gtg s ALA 1154Ca -0.14 -3.60 0.00 0.00 0.00 0.00 0.00 51.96 48.21 3gtg s ALA 1154Cb 0.15 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3gtg s ALA 1154CO 0.70 -2.19 0.00 0.45 0.00 0.00 0.00 175.76 174.72 3gtg n SER 1155N 3.06 0.00 0.00 0.00 2.88 -1.22 -4.60 113.62 113.74 3gtg n SER 1155Ca 0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 3gtg n SER 1155Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 3gtg n SER 1155CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3gtg n ASP 1156N 0.00 0.00 -3.21 -3.46 10.43 -1.25 -4.63 116.55 114.44 3gtg n ASP 1156Ca 0.00 0.15 -0.10 0.00 2.57 0.00 0.00 54.79 57.41 3gtg n ASP 1156Cb 0.00 -0.32 0.01 0.00 1.84 0.00 0.00 41.12 42.64 3gtg n ASP 1156CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gtg n ALA 1157N -1.84 -2.66 -2.53 2.24 0.00 -1.16 -4.75 120.51 109.81 3gtg n ALA 1157Ca 0.00 0.23 -0.22 0.00 0.00 0.00 0.00 53.44 53.46 3gtg n ALA 1157Cb 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 3gtg n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3gtg s PHE 1158N -2.78 2.87 -0.04 0.00 5.36 -1.02 -4.92 117.98 117.46 3gtg s PHE 1158Ca 0.09 -0.31 0.03 0.00 -0.96 0.00 0.00 56.93 55.78 3gtg s PHE 1158Cb -0.02 -1.74 0.01 0.00 -0.34 0.00 0.00 43.02 40.93 3gtg s PHE 1158CO 0.80 0.24 -0.11 0.50 -1.46 0.00 0.00 175.22 175.19 3gtg s ARG 1159N -3.95 1.21 0.05 10.12 3.00 -1.26 -3.26 118.95 124.86 3gtg s ARG 1159Ca 0.40 -0.36 0.01 0.00 -1.00 0.00 0.00 55.73 54.77 3gtg s ARG 1159Cb -0.05 -1.09 -0.03 0.00 0.00 0.00 0.00 34.95 33.78 3gtg s ARG 1159CO 0.26 0.11 -0.05 0.08 0.00 0.00 0.00 175.30 175.69 3gtg s VAL 1160N 0.30 0.37 -0.11 7.11 1.01 -1.09 -5.02 120.40 122.98 3gtg s VAL 1160Ca -0.06 -1.43 -0.05 0.00 0.00 0.00 0.00 61.98 60.44 3gtg s VAL 1160Cb -0.11 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3gtg s VAL 1160CO 0.01 -0.69 0.10 -1.00 0.00 0.00 0.00 175.10 173.52 3gtg s HIS 1161N -2.60 3.48 0.17 5.22 3.76 -1.26 -1.73 115.29 122.32 3gtg s HIS 1161Ca -0.02 0.43 0.08 0.00 -0.15 0.00 0.00 55.06 55.40 3gtg s HIS 1161Cb -0.02 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 3gtg s HIS 1161CO -0.04 0.67 -0.16 0.42 -0.85 0.00 0.00 174.74 174.77 3gtg s ILE 1162N -1.00 1.71 0.12 0.60 -1.09 -0.38 -4.44 121.20 116.72 3gtg s ILE 1162Ca 0.15 -2.00 -0.24 0.00 -2.23 0.00 0.00 60.65 56.33 3gtg s ILE 1162Cb -0.12 -1.87 -0.07 0.00 -1.58 0.00 0.00 42.46 38.82 3gtg s ILE 1162CO 0.04 -0.44 0.73 0.00 -1.23 0.00 0.00 174.94 174.03 3gtg n GLY 1164N 1.82 -1.07 0.03 0.00 0.00 0.33 -3.02 105.19 103.28 3gtg n GLY 1164Ca -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3gtg n GLY 1164CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gtg n ILE 1165N -1.12 0.00 0.37 -0.61 2.08 -1.26 -4.93 119.36 113.90 3gtg n ILE 1165Ca 0.19 0.02 -0.15 0.00 0.56 0.00 0.00 62.75 63.37 3gtg n ILE 1165Cb 0.16 -0.81 -0.07 0.00 -0.75 0.00 0.00 39.64 38.16 3gtg n ILE 1165CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gtg n GLY 1167N -0.93 0.60 3.01 0.00 0.00 -1.17 -4.59 105.19 102.12 3gtg n GLY 1167Ca -0.12 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 3gtg n GLY 1167CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtg n LEU 1168N -0.08 0.00 -3.80 0.99 4.77 -1.26 -1.94 117.00 115.68 3gtg n LEU 1168Ca 0.00 -2.63 -0.41 0.00 -0.03 0.00 0.00 56.01 52.94 3gtg n LEU 1168Cb 0.05 0.29 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 3gtg n LEU 1168CO 0.00 -0.37 1.18 0.23 -1.33 0.00 0.00 177.39 177.10 3gtg n MET 1169N -1.05 4.75 0.00 3.23 2.81 -1.26 -3.19 117.12 122.41 3gtg n MET 1169Ca -0.17 -4.62 0.06 0.00 -1.81 0.00 0.00 57.70 51.16 3gtg n MET 1169Cb 0.53 -2.48 -0.02 0.00 -0.71 0.00 0.00 33.22 30.54 3gtg n MET 1169CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3gtg n THR 1170N 0.70 0.00 -2.50 2.03 -1.04 -1.26 -5.00 114.28 107.21 3gtg n THR 1170Ca 0.35 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.05 61.62 3gtg n THR 1170Cb 0.31 1.10 -0.03 0.00 -1.82 0.00 0.00 70.33 69.89 3gtg n THR 1170CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3gtg s VAL 1171N -1.80 4.28 -0.31 12.58 1.01 -1.26 -4.62 120.40 130.27 3gtg s VAL 1171Ca 0.09 1.62 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 3gtg s VAL 1171Cb 0.10 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.45 3gtg s VAL 1171CO 0.39 0.09 1.23 -0.63 0.00 0.00 0.00 175.10 176.18 3gtg s ILE 1172N 1.37 4.24 -1.20 2.22 1.01 -1.12 -4.89 121.20 122.84 3gtg s ILE 1172Ca 0.56 1.40 -0.06 0.00 0.00 0.00 0.00 60.65 62.56 3gtg s ILE 1172Cb -0.26 -4.25 0.07 0.00 0.01 0.00 0.00 42.46 38.04 3gtg s ILE 1172CO 0.27 -0.50 2.55 0.00 0.00 0.00 0.00 174.94 177.25 3gtg n ALA 1173N 7.43 6.85 -0.84 9.38 0.00 -1.26 -4.28 120.51 137.78 3gtg n ALA 1173Ca 0.14 -3.80 -0.29 0.00 0.00 0.00 0.00 53.44 49.49 3gtg n ALA 1173Cb 0.47 -2.74 -0.03 0.00 0.00 0.00 0.00 19.45 17.14 3gtg n ALA 1173CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gtg n LYS 1174N 1.85 1.74 -1.21 0.00 5.02 -1.12 -4.91 118.16 119.53 3gtg n LYS 1174Ca 0.62 -1.54 -0.31 0.00 -2.02 0.00 0.00 58.31 55.06 3gtg n LYS 1174Cb 0.31 -2.59 0.10 0.00 -0.02 0.00 0.00 35.03 32.82 3gtg n LYS 1174CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3gtg s LEU 1175N 0.47 3.02 0.00 -0.35 0.20 -1.26 -3.09 118.68 117.67 3gtg s LEU 1175Ca 0.44 1.87 0.00 0.00 0.69 0.00 0.00 54.13 57.13 3gtg s LEU 1175Cb 0.11 -4.53 0.00 0.00 -0.43 0.00 0.00 46.19 41.34 3gtg s LEU 1175CO 0.03 -2.15 0.00 -3.20 -0.29 0.00 0.00 176.35 170.74 3gtg n ASN 1176N -3.58 -2.64 0.00 3.68 5.15 -1.26 -4.71 115.26 111.91 3gtg n ASN 1176Ca 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 3gtg n ASN 1176Cb 0.53 -1.05 0.00 0.00 -0.53 0.00 0.00 39.78 38.73 3gtg n ASN 1176CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3gtg n HIS 1177N -2.53 0.00 -1.32 1.20 8.25 -1.18 -5.03 115.22 114.60 3gtg n HIS 1177Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 3gtg n HIS 1177Cb 0.09 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 3gtg n HIS 1177CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gtg n ASN 1178N 0.00 -5.44 -4.56 0.41 5.03 -1.19 -4.97 115.26 104.54 3gtg n ASN 1178Ca 0.00 0.28 -0.41 0.00 0.87 0.00 0.00 54.58 55.32 3gtg n ASN 1178Cb 0.00 -3.92 -0.08 0.00 -1.02 0.00 0.00 39.78 34.76 3gtg n ASN 1178CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3gtg s GLN 1179N -2.86 3.67 0.00 3.52 -0.21 -1.23 -4.96 119.66 117.60 3gtg s GLN 1179Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 55.36 55.22 3gtg s GLN 1179Cb 0.00 -3.78 0.00 0.00 1.00 0.00 0.00 33.01 30.23 3gtg s GLN 1179CO 0.00 -0.57 0.00 1.19 -2.12 0.00 0.00 175.29 173.79 3gtg n PHE 1180N 5.62 0.00 -0.61 0.91 3.01 -1.26 -2.81 117.46 122.32 3gtg n PHE 1180Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 3gtg n PHE 1180Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 3gtg n PHE 1180CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3gtg n GLU 1181N 0.00 -1.65 -4.05 -1.08 1.02 -1.26 -3.77 120.64 109.85 3gtg n GLU 1181Ca 0.00 1.26 -0.32 0.00 -0.02 0.00 0.00 57.16 58.08 3gtg n GLU 1181Cb 0.00 -1.54 -0.15 0.00 -0.02 0.00 0.00 31.44 29.73 3gtg n GLU 1181CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gtg s LYS 1183N 1.14 4.22 0.00 0.00 2.20 -1.26 -0.15 119.74 125.89 3gtg s LYS 1183Ca -0.07 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 3gtg s LYS 1183Cb -0.19 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 3gtg s LYS 1183CO -0.05 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.66 3gtg n GLY 1184N 3.90 0.90 0.00 5.54 0.00 -1.26 -4.77 105.19 109.50 3gtg n GLY 1184Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3gtg n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtg n ASP 1186N -0.25 -1.37 -4.77 0.00 8.00 0.79 -4.86 116.55 114.09 3gtg n ASP 1186Ca 0.00 0.41 -0.38 0.00 0.71 0.00 0.00 54.79 55.53 3gtg n ASP 1186Cb 0.05 -1.32 -0.05 0.00 -0.02 0.00 0.00 41.12 39.77 3gtg n ASP 1186CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3gtg s ASN 1187N -1.92 7.09 0.00 -2.24 3.84 -1.15 -4.90 114.94 115.66 3gtg s ASN 1187Ca 0.00 2.05 0.00 0.00 0.21 0.00 0.00 52.86 55.12 3gtg s ASN 1187Cb 0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 3gtg s ASN 1187CO 0.00 -0.25 0.00 0.29 -2.79 0.00 0.00 177.10 174.35 3gtg n LYS 1188N 0.53 1.11 -0.03 0.43 5.02 -1.26 -2.40 118.16 121.55 3gtg n LYS 1188Ca 0.02 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.27 3gtg n LYS 1188Cb 0.48 -0.70 -0.04 0.00 -0.02 0.00 0.00 35.03 34.75 3gtg n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3gtg n ILE 1189N -1.35 0.42 -2.66 -0.18 -0.00 -1.26 -4.59 119.36 109.74 3gtg n ILE 1189Ca 0.00 -0.19 -0.42 0.00 -0.00 0.00 0.00 62.75 62.13 3gtg n ILE 1189Cb 0.20 -0.79 -0.02 0.00 -0.00 0.00 0.00 39.64 39.03 3gtg n ILE 1189CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 3gtg s ASP 1190N -4.38 6.69 -0.12 4.38 -0.00 -1.26 -4.91 116.67 117.07 3gtg s ASP 1190Ca -0.08 -2.02 -0.11 0.00 -0.00 0.00 0.00 52.55 50.35 3gtg s ASP 1190Cb 0.02 -2.53 0.03 0.00 -0.00 0.00 0.00 42.92 40.44 3gtg s ASP 1190CO 0.20 -1.26 0.31 -0.63 -0.00 0.00 0.00 175.17 173.79 3gtg s ILE 1191N 4.07 -0.00 0.15 0.77 1.01 -1.26 0.12 121.20 126.06 3gtg s ILE 1191Ca 0.46 0.01 0.07 0.00 0.00 0.00 0.00 60.65 61.19 3gtg s ILE 1191Cb 0.00 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 3gtg s ILE 1191CO -0.03 0.00 -0.15 -0.31 0.00 0.00 0.00 174.94 174.45 3gtg s TYR 1192N 0.23 1.55 -0.12 3.97 1.51 -0.96 -4.93 117.35 118.60 3gtg s TYR 1192Ca -0.01 -0.55 -0.06 0.00 -1.01 0.00 0.00 57.07 55.44 3gtg s TYR 1192Cb -0.03 -0.78 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 3gtg s TYR 1192CO -0.00 0.22 0.10 -1.14 -1.11 0.00 0.00 175.55 173.62 3gtg s GLN 1193N -2.96 3.43 0.13 -0.62 0.74 -1.26 -1.25 119.66 117.87 3gtg s GLN 1193Ca 0.14 -0.22 0.01 0.00 0.05 0.00 0.00 55.36 55.34 3gtg s GLN 1193Cb -0.04 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 3gtg s GLN 1193CO 0.04 0.68 -0.03 0.96 -0.55 0.00 0.00 175.29 176.40 3gtg s ILE 1194N -0.76 0.62 -0.16 -2.34 -0.00 -0.71 -5.01 121.20 112.84 3gtg s ILE 1194Ca 0.13 -1.95 0.01 0.00 -0.00 0.00 0.00 60.65 58.85 3gtg s ILE 1194Cb -0.12 -1.88 0.01 0.00 -0.00 0.00 0.00 42.46 40.47 3gtg s ILE 1194CO 0.03 -0.69 -0.20 -1.00 -0.00 0.00 0.00 174.94 173.09 3gtg s HIS 1195N -3.68 2.74 0.05 1.37 3.76 -1.26 -2.65 115.29 115.62 3gtg s HIS 1195Ca 0.17 -1.43 -0.03 0.00 -0.15 0.00 0.00 55.06 53.63 3gtg s HIS 1195Cb 0.06 -1.88 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 3gtg s HIS 1195CO -0.01 -0.68 0.02 0.96 -0.85 0.00 0.00 174.74 174.18 3gtg s ILE 1196N 1.05 0.19 0.68 0.60 -0.00 -1.20 -5.04 121.20 117.48 3gtg s ILE 1196Ca -0.01 -1.54 -0.17 0.00 -0.00 0.00 0.00 60.65 58.93 3gtg s ILE 1196Cb -0.14 -1.32 0.00 0.00 -0.00 0.00 0.00 42.46 41.00 3gtg s ILE 1196CO -0.07 -0.85 1.21 -2.65 -0.00 0.00 0.00 174.94 172.58 3gtg n PRO 1197N 0.28 0.87 0.20 0.37 -0.02 -1.26 -2.44 135.00 132.99 3gtg n PRO 1197Ca -0.16 0.35 0.04 0.00 -2.02 0.00 0.00 63.50 61.72 3gtg n PRO 1197Cb 0.60 -2.44 0.41 0.00 -0.02 0.00 0.00 33.50 32.05 3gtg n PRO 1197CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3gtg h TYR 1198N 0.19 0.00 0.00 6.00 3.20 -1.86 -1.84 116.97 122.66 3gtg h TYR 1198Ca -0.50 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.37 3gtg h TYR 1198Cb 1.34 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.61 3gtg h TYR 1198CO 0.41 0.33 0.00 0.00 -1.64 0.00 0.00 178.16 177.26 3gtg n ALA 1199N -2.43 1.09 -0.01 1.82 0.00 -1.26 -2.04 120.51 117.68 3gtg n ALA 1199Ca -0.02 0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.61 3gtg n ALA 1199Cb 0.39 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.52 3gtg n ALA 1199CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtg h ALA 1200N 2.02 0.00 -0.57 0.00 0.00 -1.68 -2.78 119.26 116.26 3gtg h ALA 1200Ca 0.00 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.09 3gtg h ALA 1200Cb 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.72 3gtg h ALA 1200CO 0.00 0.00 0.11 1.17 0.00 0.00 0.00 179.25 180.53 3gtg n LYS 1201N -2.59 -0.04 0.26 0.00 0.00 -1.08 0.90 118.16 115.62 3gtg n LYS 1201Ca -0.00 0.83 -0.11 0.00 0.00 0.00 0.00 58.31 59.03 3gtg n LYS 1201Cb 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 35.03 33.61 3gtg n LYS 1201CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3gtg h LEU 1202N 0.00 -0.59 -0.67 3.14 7.12 -1.56 -1.78 115.31 120.97 3gtg h LEU 1202Ca 0.39 0.02 0.11 0.00 0.13 0.00 0.00 57.88 58.53 3gtg h LEU 1202Cb 0.90 0.15 -0.12 0.00 -0.53 0.00 0.00 40.66 41.06 3gtg h LEU 1202CO -0.50 -0.34 -0.38 0.25 -0.13 0.00 0.00 178.44 177.34 3gtg h LEU 1203N -0.86 -1.33 0.06 2.25 5.85 0.82 0.52 115.31 122.62 3gtg h LEU 1203Ca -0.07 0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.92 3gtg h LEU 1203Cb 0.53 0.65 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 3gtg h LEU 1203CO 0.12 -0.31 -0.52 -0.26 -0.34 0.00 0.00 178.44 177.13 3gtg h PHE 1204N -0.15 -1.50 -0.97 1.25 0.05 -1.17 -1.89 116.94 112.56 3gtg h PHE 1204Ca 0.23 0.04 0.32 0.00 3.82 0.00 0.00 57.97 62.39 3gtg h PHE 1204Cb 0.56 0.65 -0.16 0.00 2.00 0.00 0.00 35.95 39.00 3gtg h PHE 1204CO -0.71 -0.58 0.40 1.96 -0.18 0.00 0.00 178.31 179.20 3gtg h GLN 1205N -0.70 0.16 0.70 1.51 4.20 0.81 0.31 115.11 122.10 3gtg h GLN 1205Ca 0.01 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3gtg h GLN 1205Cb 0.73 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.48 3gtg h GLN 1205CO -0.32 0.11 -0.34 0.93 -0.67 0.00 0.00 178.83 178.54 3gtg h GLU 1206N 0.17 -0.91 -0.92 1.46 5.08 -0.03 -1.54 114.58 117.88 3gtg h GLU 1206Ca 0.70 0.06 0.13 0.00 -1.00 0.00 0.00 59.36 59.25 3gtg h GLU 1206Cb 1.62 0.21 -0.14 0.00 0.50 0.00 0.00 28.75 30.94 3gtg h GLU 1206CO -0.71 -0.61 -0.40 1.28 -1.00 0.00 0.00 179.01 177.57 3gtg n LEU 1207N -4.56 -0.69 -0.10 1.33 4.77 0.80 -1.41 117.00 117.14 3gtg n LEU 1207Ca -0.12 1.62 -0.11 0.00 -0.03 0.00 0.00 56.01 57.37 3gtg n LEU 1207Cb 0.37 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3gtg n LEU 1207CO 0.28 -1.42 0.57 0.24 -1.33 0.00 0.00 177.39 175.73 3gtg h MET 1208N 0.00 -0.37 -0.14 3.23 2.86 -0.61 0.17 114.93 120.08 3gtg h MET 1208Ca 0.28 0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.88 3gtg h MET 1208Cb 0.51 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 3gtg h MET 1208CO -0.91 -0.24 -0.20 0.00 1.06 0.00 0.00 176.91 176.62 3gtg h ALA 1209N 0.29 1.41 -0.00 6.32 0.00 -0.42 -0.30 119.26 126.56 3gtg h ALA 1209Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3gtg h ALA 1209Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3gtg h ALA 1209CO -0.53 0.41 0.00 -0.12 0.00 0.00 0.00 179.25 179.01 3gtg n MET 1210N -4.21 1.01 -2.58 0.00 0.00 -0.35 -4.93 117.12 106.07 3gtg n MET 1210Ca -0.01 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.70 57.62 3gtg n MET 1210Cb 0.32 -1.18 0.02 0.00 0.00 0.00 0.00 33.22 32.37 3gtg n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3gtg n ASN 1211N -0.66 -2.60 -3.83 6.12 2.85 -0.10 -5.01 115.26 112.03 3gtg n ASN 1211Ca 0.09 -0.13 -0.23 0.00 -0.11 0.00 0.00 54.58 54.19 3gtg n ASN 1211Cb 0.04 -1.55 -0.17 0.00 1.24 0.00 0.00 39.78 39.34 3gtg n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3gtg s ILE 1212N -3.08 0.59 0.13 -1.44 1.01 -1.00 -5.00 121.20 112.41 3gtg s ILE 1212Ca 0.08 -0.04 -0.31 0.00 0.00 0.00 0.00 60.65 60.38 3gtg s ILE 1212Cb -0.04 -0.69 -0.08 0.00 0.01 0.00 0.00 42.46 41.67 3gtg s ILE 1212CO 0.17 0.29 1.39 0.42 0.00 0.00 0.00 174.94 177.20 3gtg s THR 1213N 1.69 3.25 -0.51 2.92 -4.23 -1.26 -3.36 115.64 114.15 3gtg s THR 1213Ca 0.02 0.91 -0.13 0.00 -1.18 0.00 0.00 61.69 61.31 3gtg s THR 1213Cb -0.13 -3.59 0.12 0.00 1.34 0.00 0.00 72.50 70.25 3gtg s THR 1213CO -0.05 0.08 0.43 -2.16 -0.54 0.00 0.00 174.62 172.38 3gtg s PRO 1214N 0.95 2.81 0.04 3.99 0.04 -1.26 -5.04 135.00 136.52 3gtg s PRO 1214Ca 0.64 -1.69 -0.29 0.00 0.04 0.00 0.00 61.00 59.70 3gtg s PRO 1214Cb -0.37 -4.15 -0.04 0.00 0.04 0.00 0.00 34.50 29.98 3gtg s PRO 1214CO 0.31 -1.25 0.91 1.03 0.04 0.00 0.00 177.00 178.04 3gtg s ARG 1215N 1.52 4.59 -0.12 4.56 1.81 -1.26 -4.65 118.95 125.39 3gtg s ARG 1215Ca 0.04 1.32 -0.01 0.00 -1.72 0.00 0.00 55.73 55.36 3gtg s ARG 1215Cb -0.28 -3.42 -0.03 0.00 -0.45 0.00 0.00 34.95 30.78 3gtg s ARG 1215CO 0.02 0.10 -0.07 -0.51 -0.68 0.00 0.00 175.30 174.16 3gtg s LEU 1216N 0.48 3.10 0.13 2.53 1.43 -0.82 -5.06 118.68 120.47 3gtg s LEU 1216Ca 0.47 -0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 3gtg s LEU 1216Cb -0.21 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3gtg s LEU 1216CO 0.27 0.24 -0.13 -0.31 0.23 0.00 0.00 176.35 176.65 3gtg s TYR 1217N -0.10 1.38 0.00 0.29 1.51 -1.26 -4.57 117.35 114.59 3gtg s TYR 1217Ca 0.01 -0.58 0.00 0.00 -1.01 0.00 0.00 57.07 55.49 3gtg s TYR 1217Cb -0.13 -0.72 0.00 0.00 -0.11 0.00 0.00 41.96 41.00 3gtg s TYR 1217CO 0.03 0.14 0.59 0.25 -1.11 0.00 0.00 175.55 175.45 3gtg n THR 1218N 0.44 0.24 -3.78 -0.71 -2.24 -1.26 -5.01 114.28 101.96 3gtg n THR 1218Ca -0.15 -0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 60.92 3gtg n THR 1218Cb 0.57 0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 69.64 3gtg n THR 1218CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3gtg s ASP 1219N -0.24 -0.24 0.00 3.42 -4.77 -1.26 -5.26 116.67 108.32 3gtg s ASP 1219Ca 0.00 0.38 0.31 0.00 -3.30 0.00 0.00 52.55 49.94 3gtg s ASP 1219Cb 0.00 0.48 1.73 0.00 -1.09 0.00 0.00 42.92 44.04 3gtg s ASP 1219CO 0.00 -0.21 2.13 0.54 0.70 0.00 0.00 175.17 178.32