#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3v n GLU 21 N 0.00 0.00 -3.25 -1.24 0.28 -1.26 -3.76 120.64 111.42 3h3v n GLU 21 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 3h3v n GLU 21 Cb 0.00 -0.99 -0.02 0.00 1.43 0.00 0.00 31.44 31.85 3h3v n GLU 21 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 3h3v s SER 22 N -0.10 -0.69 -0.02 -1.84 0.01 -1.26 -4.36 113.70 105.44 3h3v s SER 22 Ca 0.00 0.60 -0.11 0.00 1.31 0.00 0.00 55.95 57.75 3h3v s SER 22 Cb 0.00 1.65 0.04 0.00 0.21 0.00 0.00 66.02 67.91 3h3v s SER 22 CO 0.00 -0.13 0.49 0.00 0.41 0.00 0.00 173.24 174.01 3h3v n ALA 23 N 5.30 -1.39 -0.59 1.44 0.00 -1.25 -4.94 120.51 119.08 3h3v n ALA 23 Ca -0.07 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 52.99 3h3v n ALA 23 Cb 0.53 0.03 0.17 0.00 0.00 0.00 0.00 19.45 20.17 3h3v n ALA 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3h3v n PRO 24 N -0.35 -3.58 -3.39 0.00 -0.04 -1.26 -3.06 135.00 123.32 3h3v n PRO 24 Ca 0.02 -0.83 -0.16 0.00 -0.04 0.00 0.00 63.50 62.49 3h3v n PRO 24 Cb 0.21 -1.06 -0.09 0.00 -0.04 0.00 0.00 33.50 32.52 3h3v n PRO 24 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3h3v s ILE 25 N -1.64 -0.43 0.81 0.52 1.01 -1.26 -2.67 121.20 117.54 3h3v s ILE 25 Ca 0.38 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.43 3h3v s ILE 25 Cb -0.07 -0.99 0.21 0.00 0.01 0.00 0.00 42.46 41.62 3h3v s ILE 25 CO 0.32 -0.44 0.62 0.35 0.00 0.00 0.00 174.94 175.78 3h3v n THR 26 N 5.32 0.00 0.15 2.92 -2.24 -1.26 -4.24 114.28 114.93 3h3v n THR 26 Ca -0.02 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.51 3h3v n THR 26 Cb 0.47 -0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 67.73 3h3v n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h3v h ALA 27 N -2.68 -1.00 -1.12 6.98 0.00 -2.01 -3.05 119.26 116.39 3h3v h ALA 27 Ca -0.25 -0.09 0.39 0.00 0.00 0.00 0.00 54.91 54.96 3h3v h ALA 27 Cb 0.79 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 3h3v h ALA 27 CO 0.16 -0.99 0.71 -1.91 0.00 0.00 0.00 179.25 177.21 3h3v n GLU 28 N -3.54 -0.03 0.07 0.00 4.07 -1.26 -0.33 120.64 119.63 3h3v n GLU 28 Ca -0.06 1.04 -0.12 0.00 -0.06 0.00 0.00 57.16 57.97 3h3v n GLU 28 Cb 0.20 -2.04 -0.06 0.00 -0.06 0.00 0.00 31.44 29.48 3h3v n GLU 28 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 3h3v h ASP 29 N 0.00 -0.30 -0.27 4.31 3.32 -1.88 -3.18 116.42 118.44 3h3v h ASP 29 Ca 0.73 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.84 3h3v h ASP 29 Cb 2.31 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 41.94 3h3v h ASP 29 CO -0.40 -0.16 -0.13 -1.20 -1.72 0.00 0.00 179.24 175.62 3h3v n SER 30 N -5.23 -0.24 -0.26 6.45 7.64 0.55 -0.54 113.62 122.00 3h3v n SER 30 Ca -0.06 0.47 -0.11 0.00 1.01 0.00 0.00 58.87 60.18 3h3v n SER 30 Cb 0.15 -0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.19 3h3v n SER 30 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 3h3v h TRP 31 N 0.00 -1.58 -0.87 1.43 -0.00 -1.73 -0.56 115.95 112.64 3h3v h TRP 31 Ca 0.06 0.09 0.21 0.00 -0.00 0.00 0.00 58.89 59.26 3h3v h TRP 31 Cb 0.13 0.77 -0.16 0.00 -0.00 0.00 0.00 29.16 29.90 3h3v h TRP 31 CO -0.26 -0.37 -0.08 0.00 -0.00 0.00 0.00 178.44 177.73 3h3v n ALA 32 N -3.14 0.34 0.16 1.49 0.00 0.29 0.10 120.51 119.77 3h3v n ALA 32 Ca -0.00 0.94 -0.17 0.00 0.00 0.00 0.00 53.44 54.21 3h3v n ALA 32 Cb 0.26 -0.63 -0.10 0.00 0.00 0.00 0.00 19.45 18.98 3h3v n ALA 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3h3v h VAL 33 N 0.00 0.02 -0.21 0.00 2.07 -1.18 -0.49 116.25 116.46 3h3v h VAL 33 Ca 0.48 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.06 3h3v h VAL 33 Cb 0.89 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 3h3v h VAL 33 CO -0.85 0.00 -0.21 0.40 0.02 0.00 0.00 177.57 176.93 3h3v h ILE 34 N -0.81 0.45 -0.89 4.57 2.04 0.86 0.32 117.51 124.05 3h3v h ILE 34 Ca -0.02 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.02 3h3v h ILE 34 Cb 0.79 0.45 -0.17 0.00 -0.74 0.00 0.00 36.82 37.15 3h3v h ILE 34 CO -0.23 0.00 -0.20 0.28 0.00 0.00 0.00 178.15 178.00 3h3v h SER 35 N -0.23 -0.80 -0.80 1.72 0.02 0.51 1.41 113.55 115.39 3h3v h SER 35 Ca 0.13 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3h3v h SER 35 Cb 0.42 0.54 -0.04 0.00 0.14 0.00 0.00 62.40 63.46 3h3v h SER 35 CO -0.34 -0.29 0.50 0.00 -1.14 0.00 0.00 176.83 175.56 3h3v h ALA 36 N 1.89 1.38 0.35 3.77 0.00 0.64 -1.46 119.26 125.83 3h3v h ALA 36 Ca 0.43 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3h3v h ALA 36 Cb 0.68 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3h3v h ALA 36 CO -0.91 0.55 -0.33 0.35 0.00 0.00 0.00 179.25 178.91 3h3v h PHE 37 N 1.09 -0.89 0.00 0.00 3.57 0.34 -2.73 116.94 118.33 3h3v h PHE 37 Ca 0.29 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.71 3h3v h PHE 37 Cb -0.08 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3h3v h PHE 37 CO 0.00 -0.47 -0.40 0.74 -2.23 0.00 0.00 178.31 175.95 3h3v h PHE 38 N -0.70 0.00 -0.09 0.41 -1.00 -1.13 0.98 116.94 115.40 3h3v h PHE 38 Ca -0.02 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.80 3h3v h PHE 38 Cb 0.63 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.14 3h3v h PHE 38 CO -0.19 0.40 -0.25 0.00 -1.61 0.00 0.00 178.31 176.66 3h3v h ARG 39 N 0.00 -0.32 0.24 1.51 3.08 -0.97 -1.00 114.38 116.91 3h3v h ARG 39 Ca -0.00 0.02 -0.33 0.00 0.07 0.00 0.00 59.98 59.73 3h3v h ARG 39 Cb 0.75 0.07 0.03 0.00 0.08 0.00 0.00 29.97 30.91 3h3v h ARG 39 CO 0.05 -0.21 -1.50 1.49 -1.07 0.00 0.00 179.97 178.73 3h3v h GLU 40 N -0.33 0.50 0.03 0.04 4.81 -1.38 -3.41 114.58 114.84 3h3v h GLU 40 Ca 0.09 -0.86 -0.19 0.00 -0.13 0.00 0.00 59.36 58.27 3h3v h GLU 40 Cb 0.46 0.32 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 3h3v h GLU 40 CO -0.28 1.41 -1.03 0.87 -0.73 0.00 0.00 179.01 179.24 3h3v h LYS 41 N 0.14 0.06 0.00 1.92 1.79 -0.75 -3.51 116.57 116.21 3h3v h LYS 41 Ca -0.26 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 3h3v h LYS 41 Cb 2.15 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.84 3h3v h LYS 41 CO 0.26 1.05 0.00 0.41 -1.08 0.00 0.00 179.45 180.09 3h3v n GLY 42 N 1.55 -2.67 0.17 3.86 0.00 -0.39 -3.60 105.19 104.12 3h3v n GLY 42 Ca -0.26 -1.36 0.13 0.00 0.00 0.00 0.00 46.02 44.54 3h3v n GLY 42 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h3v h LEU 43 N 0.00 0.00 0.00 0.99 3.38 -1.91 -2.91 115.31 114.86 3h3v h LEU 43 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3h3v h LEU 43 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3h3v h LEU 43 CO 0.00 0.00 -1.16 -0.37 0.09 0.00 0.00 178.44 177.00 3h3v h VAL 44 N 0.00 0.36 0.00 1.22 -1.51 -1.89 -3.45 116.25 110.97 3h3v h VAL 44 Ca 0.00 -1.67 0.00 0.00 -1.23 0.00 0.00 66.70 63.80 3h3v h VAL 44 Cb 0.34 1.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 3h3v h VAL 44 CO 0.00 0.20 0.00 -1.54 -1.23 0.00 0.00 177.57 175.00 3h3v n SER 45 N -2.86 0.00 0.00 4.19 3.41 -1.10 -1.53 113.62 115.73 3h3v n SER 45 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3h3v n SER 45 Cb 0.73 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 3h3v n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h3v n GLN 46 N 0.00 0.00 -0.25 4.33 10.64 -1.26 0.21 117.38 131.05 3h3v n GLN 46 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3h3v n GLN 46 Cb 0.00 0.00 0.13 0.00 -0.86 0.00 0.00 30.24 29.51 3h3v n GLN 46 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3h3v h GLN 47 N 0.00 0.64 0.00 2.61 1.08 -1.65 -2.16 115.11 115.63 3h3v h GLN 47 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3h3v h GLN 47 Cb 0.00 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.29 3h3v h GLN 47 CO 0.00 0.42 0.00 1.28 -0.95 0.00 0.00 178.83 179.58 3h3v n LEU 48 N -4.82 0.22 -0.17 1.46 4.77 0.56 -2.53 117.00 116.49 3h3v n LEU 48 Ca 0.10 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 3h3v n LEU 48 Cb 0.24 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3h3v n LEU 48 CO 0.27 -0.29 0.27 0.47 -1.33 0.00 0.00 177.39 176.78 3h3v n ASP 49 N -1.37 -0.28 -0.30 -1.43 8.00 -0.73 0.24 116.55 120.69 3h3v n ASP 49 Ca 0.00 0.80 -0.04 0.00 0.71 0.00 0.00 54.79 56.26 3h3v n ASP 49 Cb 0.00 -0.19 0.07 0.00 -0.02 0.00 0.00 41.12 40.98 3h3v n ASP 49 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3h3v h SER 50 N 0.00 0.99 -0.55 -2.24 0.87 -1.44 -1.56 113.55 109.63 3h3v h SER 50 Ca 0.17 -0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 3h3v h SER 50 Cb 0.28 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 3h3v h SER 50 CO -0.46 0.77 0.08 0.15 -0.53 0.00 0.00 176.83 176.85 3h3v h PHE 51 N 1.13 1.00 0.60 2.24 3.57 0.09 -2.28 116.94 123.30 3h3v h PHE 51 Ca 0.29 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3h3v h PHE 51 Cb -0.03 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 38.43 3h3v h PHE 51 CO -0.00 0.86 -0.29 -0.91 -2.23 0.00 0.00 178.31 175.74 3h3v h ASN 52 N 0.90 -0.69 -0.64 0.41 2.35 -1.12 -2.14 115.58 114.65 3h3v h ASN 52 Ca 0.18 0.02 0.19 0.00 -0.55 0.00 0.00 56.30 56.14 3h3v h ASN 52 Cb 0.41 0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 3h3v h ASN 52 CO 0.01 -0.46 0.81 -0.61 -1.65 0.00 0.00 177.43 175.53 3h3v h GLN 53 N -0.86 0.00 0.21 0.81 5.75 -1.25 0.23 115.11 119.99 3h3v h GLN 53 Ca -0.08 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 3h3v h GLN 53 Cb 0.62 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.17 3h3v h GLN 53 CO 0.14 0.00 -0.10 0.35 -2.65 0.00 0.00 178.83 176.56 3h3v h PHE 54 N 0.00 -0.26 0.11 3.99 3.57 -0.91 -3.00 116.94 120.43 3h3v h PHE 54 Ca 0.30 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 3h3v h PHE 54 Cb 1.93 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.75 3h3v h PHE 54 CO 0.00 0.09 -0.06 0.28 -2.23 0.00 0.00 178.31 176.39 3h3v h VAL 55 N -0.95 0.00 0.00 1.41 2.07 0.02 0.61 116.25 119.41 3h3v h VAL 55 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3h3v h VAL 55 Cb 0.47 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3h3v h VAL 55 CO 0.05 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.11 3h3v n ASP 56 N -2.52 0.00 0.00 0.57 8.00 -0.36 -3.60 116.55 118.64 3h3v n ASP 56 Ca -0.02 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.12 3h3v n ASP 56 Cb 0.06 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 3h3v n ASP 56 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3h3v n TYR 57 N -1.88 0.00 -0.12 1.24 4.02 -1.22 -4.52 117.16 114.68 3h3v n TYR 57 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.86 3h3v n TYR 57 Cb 0.00 -0.16 -0.03 0.00 -0.02 0.00 0.00 39.34 39.13 3h3v n TYR 57 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3h3v n THR 58 N -1.56 -0.19 -0.46 -0.72 -1.04 -1.14 -0.25 114.28 108.92 3h3v n THR 58 Ca 0.00 1.12 0.38 0.00 -2.04 0.00 0.00 64.05 63.51 3h3v n THR 58 Cb 0.00 -1.43 0.68 0.00 -1.82 0.00 0.00 70.33 67.76 3h3v n THR 58 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3h3v h LEU 59 N 0.00 0.19 0.09 -4.42 5.85 0.17 0.69 115.31 117.89 3h3v h LEU 59 Ca 0.04 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3h3v h LEU 59 Cb 0.12 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3h3v h LEU 59 CO -0.26 -0.09 -0.04 -0.61 -0.34 0.00 0.00 178.44 177.09 3h3v h GLN 60 N 0.10 -0.11 -0.95 1.25 5.75 -0.80 -2.96 115.11 117.39 3h3v h GLN 60 Ca 0.78 0.01 0.25 0.00 -0.15 0.00 0.00 58.65 59.54 3h3v h GLN 60 Cb 2.61 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 31.13 3h3v h GLN 60 CO -0.28 0.42 0.66 -0.44 -2.65 0.00 0.00 178.83 176.54 3h3v h ASP 61 N -0.83 0.18 0.33 -0.69 5.19 0.81 0.16 116.42 121.57 3h3v h ASP 61 Ca -0.01 0.02 -0.27 0.00 -0.62 0.00 0.00 57.03 56.15 3h3v h ASP 61 Cb 0.59 -0.01 0.02 0.00 0.18 0.00 0.00 39.33 40.11 3h3v h ASP 61 CO 0.02 0.06 -1.17 0.40 -3.12 0.00 0.00 179.24 175.42 3h3v h ILE 62 N 0.17 1.37 -0.40 0.35 2.04 -1.07 -3.17 117.51 116.80 3h3v h ILE 62 Ca 0.48 -2.63 -0.02 0.00 1.00 0.00 0.00 64.86 63.69 3h3v h ILE 62 Cb 1.59 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 40.35 3h3v h ILE 62 CO -0.10 0.79 0.16 0.40 0.00 0.00 0.00 178.15 179.40 3h3v h ILE 63 N 0.20 1.15 -3.32 -0.67 5.03 -0.56 -3.34 117.51 116.01 3h3v h ILE 63 Ca -0.15 -0.47 -0.68 0.00 -0.12 0.00 0.00 64.86 63.44 3h3v h ILE 63 Cb 1.85 0.68 -0.37 0.00 -3.03 0.00 0.00 36.82 35.95 3h3v h ILE 63 CO 0.21 0.18 -0.28 0.00 -0.68 0.00 0.00 178.15 177.58 3h3v n GLU 65 N 2.51 0.00 -1.71 0.00 0.28 -1.25 -4.82 120.64 115.65 3h3v n GLU 65 Ca 0.18 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 57.14 3h3v n GLU 65 Cb 0.36 -0.33 0.01 0.00 1.43 0.00 0.00 31.44 32.92 3h3v n GLU 65 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3h3v n ASP 66 N -1.10 -0.54 0.26 -1.84 5.75 -1.26 -4.96 116.55 112.86 3h3v n ASP 66 Ca 0.00 -2.06 0.12 0.00 -0.01 0.00 0.00 54.79 52.84 3h3v n ASP 66 Cb 0.00 0.23 0.72 0.00 -1.03 0.00 0.00 41.12 41.04 3h3v n ASP 66 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3h3v h SER 67 N 0.69 0.00 -3.99 -1.12 4.64 -1.89 -3.44 113.55 108.44 3h3v h SER 67 Ca -0.44 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.43 3h3v h SER 67 Cb 1.45 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.52 3h3v h SER 67 CO -0.15 0.12 0.30 -0.89 -0.87 0.00 0.00 176.83 175.34 3h3v s THR 68 N -4.21 4.42 0.08 2.95 2.01 -1.26 -4.28 115.64 115.35 3h3v s THR 68 Ca -0.03 1.43 -0.09 0.00 0.31 0.00 0.00 61.69 63.32 3h3v s THR 68 Cb 0.13 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 69.00 3h3v s THR 68 CO 0.59 -0.25 0.19 -0.76 -0.69 0.00 0.00 174.62 173.70 3h3v s LEU 69 N -3.03 1.40 0.00 4.42 1.43 -1.26 -4.93 118.68 116.70 3h3v s LEU 69 Ca 0.59 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3h3v s LEU 69 Cb -0.10 1.03 0.00 0.00 0.03 0.00 0.00 46.19 47.15 3h3v s LEU 69 CO 0.15 -0.70 0.00 -0.38 0.23 0.00 0.00 176.35 175.65 3h3v n ILE 70 N 0.08 0.00 0.00 -0.59 5.41 -1.26 -4.82 119.36 118.18 3h3v n ILE 70 Ca -0.16 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.59 3h3v n ILE 70 Cb 0.62 -0.27 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 3h3v n ILE 70 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3h3v n ILE 90 N 1.15 0.00 -3.25 1.39 5.41 -1.26 -5.19 119.36 117.60 3h3v n ILE 90 Ca 0.00 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.54 3h3v n ILE 90 Cb 0.00 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 38.96 3h3v n ILE 90 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3h3v s SER 91 N 0.00 5.06 0.02 4.38 1.04 -1.20 -4.26 113.70 118.74 3h3v s SER 91 Ca 0.00 -0.88 0.04 0.00 0.48 0.00 0.00 55.95 55.60 3h3v s SER 91 Cb 0.00 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 3h3v s SER 91 CO 0.00 -1.18 -0.14 -0.36 0.98 0.00 0.00 173.24 172.55 3h3v s PHE 92 N -2.64 1.20 0.00 5.02 0.40 -1.26 -2.55 117.98 118.16 3h3v s PHE 92 Ca 0.54 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.58 3h3v s PHE 92 Cb -0.05 -0.74 0.00 0.00 0.51 0.00 0.00 43.02 42.73 3h3v s PHE 92 CO 0.34 0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.68 3h3v n GLY 93 N 2.30 4.33 1.66 4.36 0.00 -0.16 -4.83 105.19 112.86 3h3v n GLY 93 Ca -0.16 -2.16 -0.25 0.00 0.00 0.00 0.00 46.02 43.45 3h3v n GLY 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3h3v n LYS 94 N -0.17 0.00 -4.18 1.61 4.81 -1.26 -3.94 118.16 115.03 3h3v n LYS 94 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 3h3v n LYS 94 Cb 0.00 -0.57 -0.08 0.00 0.02 0.00 0.00 35.03 34.40 3h3v n LYS 94 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3h3v s ILE 95 N -0.31 4.65 -0.33 3.15 2.07 -1.26 -2.71 121.20 126.46 3h3v s ILE 95 Ca 0.36 -0.27 -0.11 0.00 -1.41 0.00 0.00 60.65 59.22 3h3v s ILE 95 Cb -0.51 -3.05 -0.00 0.00 0.13 0.00 0.00 42.46 39.03 3h3v s ILE 95 CO 0.27 0.49 0.18 -0.31 -1.91 0.00 0.00 174.94 173.66 3h3v s TYR 96 N -1.05 3.20 -0.59 3.50 1.51 1.31 -4.92 117.35 120.30 3h3v s TYR 96 Ca 0.18 -0.59 -0.18 0.00 -1.01 0.00 0.00 57.07 55.46 3h3v s TYR 96 Cb -0.12 -2.40 0.11 0.00 -0.11 0.00 0.00 41.96 39.44 3h3v s TYR 96 CO 0.08 -0.48 0.68 0.08 -1.11 0.00 0.00 175.55 174.79 3h3v s VAL 97 N 1.62 4.89 0.66 0.71 1.01 -1.26 -0.34 120.40 127.69 3h3v s VAL 97 Ca 0.04 -1.10 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 3h3v s VAL 97 Cb -0.18 -4.47 -0.02 0.00 0.00 0.00 0.00 36.38 31.72 3h3v s VAL 97 CO 0.07 -1.09 1.05 0.42 0.00 0.00 0.00 175.10 175.54 3h3v s THR 98 N 2.48 4.36 0.69 3.92 -4.23 -0.71 -5.02 115.64 117.13 3h3v s THR 98 Ca 0.11 0.77 -0.10 0.00 -1.18 0.00 0.00 61.69 61.28 3h3v s THR 98 Cb -0.25 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 69.98 3h3v s THR 98 CO 0.05 -1.00 1.05 -0.54 -0.54 0.00 0.00 174.62 173.64 3h3v s LYS 99 N -5.11 2.75 0.19 3.99 1.02 -1.26 -4.37 119.74 116.94 3h3v s LYS 99 Ca 0.57 0.27 -0.31 0.00 0.02 0.00 0.00 55.97 56.51 3h3v s LYS 99 Cb -0.13 -2.09 -0.16 0.00 -0.52 0.00 0.00 37.83 34.94 3h3v s LYS 99 CO 0.54 -1.01 0.94 -2.30 -0.92 0.00 0.00 175.35 172.61 3h3v n PRO 100 N -2.92 0.75 -3.93 -1.68 -0.02 -1.26 -4.52 135.00 121.42 3h3v n PRO 100 Ca 0.06 0.27 -0.09 0.00 -2.02 0.00 0.00 63.50 61.72 3h3v n PRO 100 Cb 0.58 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.43 3h3v n PRO 100 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3h3v s MET 101 N -0.76 1.77 -0.29 -0.52 -1.94 -1.21 -2.42 119.30 113.93 3h3v s MET 101 Ca 0.70 -1.22 0.00 0.00 -1.71 0.00 0.00 55.69 53.46 3h3v s MET 101 Cb -0.89 0.54 0.14 0.00 2.01 0.00 0.00 34.83 36.64 3h3v s MET 101 CO 0.55 -0.78 0.33 0.08 -0.01 0.00 0.00 175.02 175.20 3h3v s VAL 102 N -3.66 -0.48 0.00 -6.03 1.01 0.33 -4.49 120.40 107.08 3h3v s VAL 102 Ca 0.18 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 3h3v s VAL 102 Cb -0.03 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 3h3v s VAL 102 CO 0.10 -0.41 1.33 0.21 0.00 0.00 0.00 175.10 176.32 3h3v s ASN 103 N 2.39 6.92 -0.06 3.32 2.47 -1.26 -3.46 114.94 125.26 3h3v s ASN 103 Ca 0.10 2.04 -0.03 0.00 0.42 0.00 0.00 52.86 55.39 3h3v s ASN 103 Cb -0.13 -2.56 0.04 0.00 -1.45 0.00 0.00 41.25 37.14 3h3v s ASN 103 CO -0.31 -0.65 0.13 -1.83 -3.72 0.00 0.00 177.10 170.72 3h3v s GLU 104 N 2.11 0.06 0.50 0.43 -1.05 -1.22 -5.05 118.70 114.48 3h3v s GLU 104 Ca 0.61 0.40 -0.23 0.00 -0.15 0.00 0.00 54.97 55.60 3h3v s GLU 104 Cb -0.30 -0.22 -0.07 0.00 -0.44 0.00 0.00 34.13 33.10 3h3v s GLU 104 CO 0.26 -0.21 1.33 -1.13 0.95 0.00 0.00 175.26 176.46 3h3v n SER 105 N 4.54 2.68 -0.10 0.83 3.41 -1.26 -2.56 113.62 121.16 3h3v n SER 105 Ca -0.20 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 3h3v n SER 105 Cb 0.51 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 3h3v n SER 105 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3h3v n ASP 106 N -0.49 -1.19 0.00 4.04 8.00 -1.26 -4.93 116.55 120.72 3h3v n ASP 106 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 3h3v n ASP 106 Cb 0.43 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3h3v n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3v n GLY 107 N -0.90 1.25 0.00 0.44 0.00 -1.06 -5.16 105.19 99.76 3h3v n GLY 107 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3h3v n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h3v n VAL 108 N -0.35 0.00 -3.24 1.61 0.31 -1.26 -4.45 118.33 110.94 3h3v n VAL 108 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 3h3v n VAL 108 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 3h3v n VAL 108 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3h3v n THR 109 N 0.00 -0.04 -1.60 2.52 -1.04 -1.26 -3.39 114.28 109.47 3h3v n THR 109 Ca 0.00 -4.27 -0.60 0.00 -2.04 0.00 0.00 64.05 57.14 3h3v n THR 109 Cb 0.00 -1.99 -0.08 0.00 -1.82 0.00 0.00 70.33 66.44 3h3v n THR 109 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 3h3v n HIS 110 N 1.31 1.24 -2.00 -1.42 -0.00 -1.22 -4.24 115.22 108.88 3h3v n HIS 110 Ca 0.23 0.95 -0.39 0.00 -0.00 0.00 0.00 57.72 58.51 3h3v n HIS 110 Cb 0.50 -2.21 -0.03 0.00 -0.00 0.00 0.00 29.99 28.25 3h3v n HIS 110 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3h3v s ALA 111 N 1.24 2.24 0.61 1.57 0.00 -1.26 -0.51 121.76 125.64 3h3v s ALA 111 Ca 0.94 -0.45 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 3h3v s ALA 111 Cb -1.25 -4.26 -0.03 0.00 0.00 0.00 0.00 23.12 17.58 3h3v s ALA 111 CO 0.63 -3.74 1.20 -1.17 0.00 0.00 0.00 175.76 172.68 3h3v s LEU 112 N 8.98 3.62 -0.04 0.00 2.96 -1.01 -4.85 118.68 128.34 3h3v s LEU 112 Ca 0.72 2.36 0.06 0.00 -0.22 0.00 0.00 54.13 57.05 3h3v s LEU 112 Cb -0.14 -4.60 -0.01 0.00 0.50 0.00 0.00 46.19 41.94 3h3v s LEU 112 CO 0.23 -1.65 -0.23 -0.31 -1.32 0.00 0.00 176.35 173.08 3h3v s TYR 113 N -1.67 2.17 0.12 5.38 1.51 -1.26 -4.57 117.35 119.02 3h3v s TYR 113 Ca 0.77 -0.58 -0.26 0.00 -1.01 0.00 0.00 57.07 55.98 3h3v s TYR 113 Cb -0.30 -1.42 -0.08 0.00 -0.11 0.00 0.00 41.96 40.05 3h3v s TYR 113 CO 0.34 -0.16 1.44 -1.00 -1.11 0.00 0.00 175.55 175.07 3h3v h PRO 114 N 5.98 -0.20 0.00 -1.71 0.13 -1.97 0.85 132.00 135.09 3h3v h PRO 114 Ca -0.34 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3h3v h PRO 114 Cb 1.16 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3h3v h PRO 114 CO 0.47 -0.13 0.72 0.37 -0.23 0.00 0.00 178.00 179.20 3h3v h GLN 115 N -0.21 0.00 0.00 0.86 5.75 -1.98 -1.86 115.11 117.68 3h3v h GLN 115 Ca 0.09 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.46 3h3v h GLN 115 Cb 0.43 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 3h3v h GLN 115 CO -0.59 0.00 -0.95 -1.91 -2.65 0.00 0.00 178.83 172.73 3h3v n GLU 116 N -2.53 0.51 0.16 1.69 2.13 0.28 -3.91 120.64 118.97 3h3v n GLU 116 Ca -0.01 0.54 0.08 0.00 0.66 0.00 0.00 57.16 58.44 3h3v n GLU 116 Cb 0.74 -1.71 0.43 0.00 0.27 0.00 0.00 31.44 31.16 3h3v n GLU 116 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3h3v n ALA 117 N -3.55 0.77 0.08 4.31 0.00 -0.75 0.13 120.51 121.50 3h3v n ALA 117 Ca -0.21 0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 3h3v n ALA 117 Cb 0.49 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 3h3v n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h3v h ARG 118 N 0.00 0.34 0.07 0.00 2.47 -1.56 -0.13 114.38 115.57 3h3v h ARG 118 Ca 0.00 -0.43 -0.25 0.00 -1.26 0.00 0.00 59.98 58.05 3h3v h ARG 118 Cb 0.38 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 3h3v h ARG 118 CO 0.00 1.13 -1.30 -0.07 0.56 0.00 0.00 179.97 180.29 3h3v h LEU 119 N 0.16 0.24 0.00 3.04 3.38 0.96 -3.36 115.31 119.72 3h3v h LEU 119 Ca -0.10 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.10 3h3v h LEU 119 Cb 1.71 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.38 3h3v h LEU 119 CO 0.17 1.55 0.00 0.54 0.09 0.00 0.00 178.44 180.79 3h3v n ARG 120 N -4.09 0.94 -3.34 1.13 1.74 0.88 -4.92 116.66 108.99 3h3v n ARG 120 Ca -0.26 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.65 3h3v n ARG 120 Cb 0.81 -1.48 0.05 0.00 -1.02 0.00 0.00 32.46 30.82 3h3v n ARG 120 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3h3v n ASN 121 N -0.98 -6.51 0.00 0.55 5.03 -0.81 -4.88 115.26 107.66 3h3v n ASN 121 Ca 0.21 -0.66 0.00 0.00 0.87 0.00 0.00 54.58 55.00 3h3v n ASN 121 Cb 0.10 -4.64 0.00 0.00 -1.02 0.00 0.00 39.78 34.22 3h3v n ASN 121 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3h3v n LEU 122 N -3.13 0.00 -3.70 3.41 4.77 -0.12 -3.87 117.00 114.36 3h3v n LEU 122 Ca -0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.69 3h3v n LEU 122 Cb 0.59 0.00 -0.18 0.00 -2.33 0.00 0.00 43.42 41.50 3h3v n LEU 122 CO 0.60 0.00 -0.35 -0.89 -1.33 0.00 0.00 177.39 175.41 3h3v s THR 123 N 1.66 0.10 -0.83 -5.08 2.01 -1.26 0.68 115.64 112.92 3h3v s THR 123 Ca 0.00 0.17 -0.15 0.00 0.31 0.00 0.00 61.69 62.02 3h3v s THR 123 Cb 0.00 -0.40 -0.11 0.00 0.01 0.00 0.00 72.50 72.00 3h3v s THR 123 CO 0.00 0.11 1.99 0.00 -0.69 0.00 0.00 174.62 176.03 3h3v n TYR 124 N 5.23 1.69 -4.50 4.92 9.36 -0.30 -4.82 117.16 128.73 3h3v n TYR 124 Ca -0.05 -1.88 -0.24 0.00 3.32 0.00 0.00 57.90 59.05 3h3v n TYR 124 Cb 0.50 -1.70 -0.10 0.00 -0.63 0.00 0.00 39.34 37.41 3h3v n TYR 124 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3h3v s SER 125 N 4.35 3.47 0.33 2.98 1.04 -1.26 -1.35 113.70 123.26 3h3v s SER 125 Ca 0.50 -1.15 0.03 0.00 0.48 0.00 0.00 55.95 55.81 3h3v s SER 125 Cb 0.13 -0.30 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 3h3v s SER 125 CO 0.05 -0.17 0.13 -0.94 0.98 0.00 0.00 173.24 173.29 3h3v s SER 126 N -3.54 1.92 0.45 7.02 1.04 -1.05 -3.29 113.70 116.25 3h3v s SER 126 Ca 0.31 -1.53 -0.21 0.00 0.48 0.00 0.00 55.95 55.00 3h3v s SER 126 Cb 0.01 0.31 -0.10 0.00 0.10 0.00 0.00 66.02 66.34 3h3v s SER 126 CO 0.15 -0.83 1.00 -0.83 0.98 0.00 0.00 173.24 173.70 3h3v s GLY 127 N -3.44 2.48 -0.23 7.32 0.00 -1.26 -1.18 107.32 111.01 3h3v s GLY 127 Ca 0.33 0.52 -0.00 0.00 0.00 0.00 0.00 44.72 45.56 3h3v s GLY 127 CO 0.16 0.83 -0.10 1.08 0.00 0.00 0.00 173.10 175.07 3h3v s LEU 128 N -3.24 2.98 -0.08 0.66 1.02 0.15 -1.74 118.68 118.43 3h3v s LEU 128 Ca 0.64 -0.88 0.02 0.00 0.02 0.00 0.00 54.13 53.92 3h3v s LEU 128 Cb -0.13 -1.61 -0.02 0.00 0.02 0.00 0.00 46.19 44.44 3h3v s LEU 128 CO 0.17 -0.10 -0.12 -0.36 0.02 0.00 0.00 176.35 175.96 3h3v s PHE 129 N 1.29 2.80 -0.04 0.29 2.99 0.54 0.20 117.98 126.05 3h3v s PHE 129 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 56.93 56.68 3h3v s PHE 129 Cb -0.16 -1.72 0.03 0.00 0.00 0.00 0.00 43.02 41.16 3h3v s PHE 129 CO -0.06 0.10 -0.01 0.08 -0.00 0.00 0.00 175.22 175.32 3h3v s VAL 130 N -0.40 0.32 -0.60 -0.44 1.01 0.40 0.40 120.40 121.08 3h3v s VAL 130 Ca 0.05 0.04 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 3h3v s VAL 130 Cb -0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 3h3v s VAL 130 CO 0.02 0.19 1.81 -1.81 0.00 0.00 0.00 175.10 175.32 3h3v s ASP 131 N 1.21 5.38 0.30 3.32 1.01 -1.10 -2.82 116.67 123.97 3h3v s ASP 131 Ca -0.07 0.35 -0.15 0.00 0.71 0.00 0.00 52.55 53.39 3h3v s ASP 131 Cb -0.13 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.18 3h3v s ASP 131 CO -0.02 -2.29 0.73 -0.69 0.21 0.00 0.00 175.17 173.11 3h3v s VAL 132 N 8.70 4.67 -0.10 -1.27 1.01 -1.26 -0.98 120.40 131.17 3h3v s VAL 132 Ca 0.66 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.62 3h3v s VAL 132 Cb -0.13 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.63 3h3v s VAL 132 CO 0.21 -0.12 -0.08 -0.54 0.00 0.00 0.00 175.10 174.56 3h3v s LYS 133 N -2.83 1.53 0.07 2.72 1.02 -1.06 -4.98 119.74 116.21 3h3v s LYS 133 Ca 0.52 -0.28 0.24 0.00 0.02 0.00 0.00 55.97 56.47 3h3v s LYS 133 Cb -0.11 -1.51 0.21 0.00 -0.52 0.00 0.00 37.83 35.90 3h3v s LYS 133 CO 0.18 -0.19 1.18 0.36 -0.92 0.00 0.00 175.35 175.95 3h3v n LYS 134 N 4.66 0.25 0.00 1.68 2.85 -1.26 -3.22 118.16 123.12 3h3v n LYS 134 Ca -0.15 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 3h3v n LYS 134 Cb 0.50 -1.62 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 3h3v n LYS 134 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3h3v n LYS 164 N -1.96 0.00 -5.15 -1.58 4.81 -1.26 -4.83 118.16 108.19 3h3v n LYS 164 Ca 0.03 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.15 3h3v n LYS 164 Cb 0.42 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.32 3h3v n LYS 164 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3h3v s VAL 165 N -0.06 2.39 -0.17 3.15 1.01 -1.13 -4.97 120.40 120.62 3h3v s VAL 165 Ca 0.00 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 3h3v s VAL 165 Cb 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 3h3v s VAL 165 CO 0.00 0.58 0.71 0.12 0.00 0.00 0.00 175.10 176.51 3h3v s PHE 166 N -0.47 3.42 -0.43 5.22 5.36 -1.26 -0.46 117.98 129.36 3h3v s PHE 166 Ca 0.05 1.09 0.02 0.00 -0.96 0.00 0.00 56.93 57.14 3h3v s PHE 166 Cb -0.12 -2.88 0.15 0.00 -0.34 0.00 0.00 43.02 39.84 3h3v s PHE 166 CO 0.01 -0.17 0.30 0.42 -1.46 0.00 0.00 175.22 174.32 3h3v s ILE 167 N 1.87 0.76 0.00 3.12 1.09 0.52 -4.65 121.20 123.90 3h3v s ILE 167 Ca 0.33 -2.51 0.00 0.00 -1.10 0.00 0.00 60.65 57.37 3h3v s ILE 167 Cb -0.16 -1.53 0.00 0.00 -1.06 0.00 0.00 42.46 39.71 3h3v s ILE 167 CO 0.12 -1.07 0.00 0.61 -0.10 0.00 0.00 174.94 174.50 3h3v n GLY 168 N 3.26 -1.52 2.97 6.18 0.00 -0.98 -4.40 105.19 110.71 3h3v n GLY 168 Ca 0.19 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.41 3h3v n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h3v s ARG 169 N -1.56 1.64 -0.39 1.61 0.52 -1.26 0.32 118.95 119.83 3h3v s ARG 169 Ca 0.00 -0.35 -0.15 0.00 -0.52 0.00 0.00 55.73 54.71 3h3v s ARG 169 Cb 0.00 -1.51 0.01 0.00 0.52 0.00 0.00 34.95 33.97 3h3v s ARG 169 CO 0.00 -0.11 0.34 -1.17 0.02 0.00 0.00 175.30 174.38 3h3v s LEU 170 N 1.15 4.80 -0.57 2.53 2.96 -0.32 -4.40 118.68 124.83 3h3v s LEU 170 Ca -0.05 -0.61 -0.26 0.00 -0.22 0.00 0.00 54.13 52.99 3h3v s LEU 170 Cb -0.14 -2.26 -0.07 0.00 0.50 0.00 0.00 46.19 44.22 3h3v s LEU 170 CO -0.02 -0.43 2.29 -2.16 -1.32 0.00 0.00 176.35 174.71 3h3v s PRO 171 N 1.89 2.15 0.77 0.98 0.04 -1.26 -2.52 135.00 137.05 3h3v s PRO 171 Ca 0.09 1.08 -0.15 0.00 0.04 0.00 0.00 61.00 62.06 3h3v s PRO 171 Cb -0.18 -4.59 0.05 0.00 0.04 0.00 0.00 34.50 29.82 3h3v s PRO 171 CO 0.11 -3.32 1.11 -0.89 0.04 0.00 0.00 177.00 174.05 3h3v n ILE 172 N 7.93 2.52 -3.45 0.56 5.41 -0.46 -4.89 119.36 126.99 3h3v n ILE 172 Ca 0.35 -0.29 -0.38 0.00 1.00 0.00 0.00 62.75 63.43 3h3v n ILE 172 Cb 0.53 -1.18 -0.06 0.00 -0.71 0.00 0.00 39.64 38.21 3h3v n ILE 172 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 176.55 176.23 3h3v s MET 173 N -3.78 4.09 0.53 0.38 -2.45 -1.26 -4.62 119.30 112.20 3h3v s MET 173 Ca 0.74 0.37 -0.22 0.00 -1.25 0.00 0.00 55.69 55.34 3h3v s MET 173 Cb -0.31 -3.31 -0.05 0.00 1.25 0.00 0.00 34.83 32.40 3h3v s MET 173 CO 0.50 0.47 1.31 -0.51 1.05 0.00 0.00 175.02 177.84 3h3v s LEU 174 N -0.35 3.87 -0.22 4.11 1.02 0.43 -2.01 118.68 125.53 3h3v s LEU 174 Ca 0.23 2.66 0.00 0.00 0.02 0.00 0.00 54.13 57.04 3h3v s LEU 174 Cb -0.16 -4.29 0.00 0.00 0.02 0.00 0.00 46.19 41.76 3h3v s LEU 174 CO 0.11 -1.46 0.00 -1.14 0.02 0.00 0.00 176.35 173.88 3h3v n ARG 175 N -0.97 -1.37 0.00 1.70 3.00 -1.26 -1.35 116.66 116.41 3h3v n ARG 175 Ca 0.10 0.45 0.00 0.00 -0.00 0.00 0.00 57.85 58.40 3h3v n ARG 175 Cb 0.46 -4.53 0.00 0.00 0.00 0.00 0.00 32.46 28.39 3h3v n ARG 175 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3h3v n SER 176 N -0.67 -0.09 -0.02 6.15 3.41 -0.85 -4.68 113.62 116.87 3h3v n SER 176 Ca -0.02 -0.06 -0.12 0.00 -0.26 0.00 0.00 58.87 58.40 3h3v n SER 176 Cb 0.38 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.19 3h3v n SER 176 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3h3v n LYS 177 N -0.15 0.67 -0.13 4.33 4.81 -1.26 -3.89 118.16 122.54 3h3v n LYS 177 Ca 0.00 0.28 0.04 0.00 -0.87 0.00 0.00 58.31 57.76 3h3v n LYS 177 Cb 0.00 -1.76 0.12 0.00 0.02 0.00 0.00 35.03 33.41 3h3v n LYS 177 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3h3v n ASN 178 N -3.17 1.34 -4.86 3.14 5.15 -1.26 -4.84 115.26 110.76 3h3v n ASN 178 Ca -0.22 -1.99 -0.34 0.00 -0.60 0.00 0.00 54.58 51.44 3h3v n ASN 178 Cb 1.05 -0.17 -0.06 0.00 -0.53 0.00 0.00 39.78 40.08 3h3v n ASN 178 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h3v h TYR 180 N 4.03 0.39 -1.02 0.00 -1.99 -1.90 -2.86 116.97 113.62 3h3v h TYR 180 Ca -0.50 -0.00 0.28 0.00 2.00 0.00 0.00 58.73 60.51 3h3v h TYR 180 Cb 1.19 -0.13 -0.13 0.00 2.00 0.00 0.00 36.73 39.66 3h3v h TYR 180 CO 0.67 0.29 0.61 -0.07 -0.00 0.00 0.00 178.16 179.65 3h3v h LEU 181 N 0.38 0.59 -0.86 3.88 3.38 -1.94 -2.09 115.31 118.64 3h3v h LEU 181 Ca 0.11 0.15 0.20 0.00 0.09 0.00 0.00 57.88 58.42 3h3v h LEU 181 Cb 0.01 0.06 -0.16 0.00 0.09 0.00 0.00 40.66 40.66 3h3v h LEU 181 CO -0.02 0.02 -0.07 0.77 0.09 0.00 0.00 178.44 179.23 3h3v h SER 182 N 0.47 -0.56 0.14 -0.43 4.64 -1.70 -2.74 113.55 113.38 3h3v h SER 182 Ca 0.67 0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 62.23 3h3v h SER 182 Cb 1.43 0.46 0.00 0.00 -0.31 0.00 0.00 62.40 63.98 3h3v h SER 182 CO -0.49 -0.27 -0.07 -0.33 -0.87 0.00 0.00 176.83 174.80 3h3v h GLU 183 N 0.04 -0.18 -4.22 4.77 5.08 -1.57 -3.47 114.58 115.03 3h3v h GLU 183 Ca 0.47 0.01 -0.41 0.00 -1.00 0.00 0.00 59.36 58.43 3h3v h GLU 183 Cb 0.83 0.04 0.14 0.00 0.50 0.00 0.00 28.75 30.26 3h3v h GLU 183 CO -0.82 0.08 -1.01 0.00 -1.00 0.00 0.00 179.01 176.26 3h3v n ALA 184 N -2.70 -3.40 -2.53 3.43 0.00 -1.03 -5.02 120.51 109.26 3h3v n ALA 184 Ca -0.05 -0.21 -0.26 0.00 0.00 0.00 0.00 53.44 52.92 3h3v n ALA 184 Cb 0.17 -0.92 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 3h3v n ALA 184 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h3v s THR 185 N -1.41 0.61 0.00 0.00 -4.23 -1.26 -4.90 115.64 104.46 3h3v s THR 185 Ca 0.35 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 3h3v s THR 185 Cb -0.26 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.25 3h3v s THR 185 CO 0.51 0.00 0.00 1.21 -0.54 0.00 0.00 174.62 175.80 3h3v n GLU 186 N -0.94 0.00 -0.36 3.99 4.07 -1.26 0.17 120.64 126.31 3h3v n GLU 186 Ca -0.07 0.00 0.33 0.00 -0.06 0.00 0.00 57.16 57.36 3h3v n GLU 186 Cb 0.65 0.00 0.60 0.00 -0.06 0.00 0.00 31.44 32.63 3h3v n GLU 186 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3h3v h SER 187 N 0.00 0.32 0.26 4.31 4.64 -2.01 0.06 113.55 121.12 3h3v h SER 187 Ca 0.00 0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.55 3h3v h SER 187 Cb 0.00 0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3h3v h SER 187 CO 0.00 -0.34 -0.40 0.44 -0.87 0.00 0.00 176.83 175.65 3h3v h ASP 188 N 0.05 -1.14 0.48 4.97 3.32 0.13 -3.12 116.42 121.11 3h3v h ASP 188 Ca 0.84 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.99 3h3v h ASP 188 Cb 2.32 0.41 -0.02 0.00 0.22 0.00 0.00 39.33 42.25 3h3v h ASP 188 CO -0.66 -0.51 -0.48 -0.07 -1.72 0.00 0.00 179.24 175.79 3h3v h LEU 189 N -0.73 -1.32 -1.81 1.55 3.38 0.11 -2.15 115.31 114.34 3h3v h LEU 189 Ca -0.01 0.11 0.48 0.00 0.09 0.00 0.00 57.88 58.55 3h3v h LEU 189 Cb 0.70 0.44 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 3h3v h LEU 189 CO -0.15 -0.64 1.30 1.88 0.09 0.00 0.00 178.44 180.92 3h3v h TYR 190 N -0.96 0.00 0.00 1.13 -1.99 -1.56 3.10 116.97 116.69 3h3v h TYR 190 Ca -0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.67 3h3v h TYR 190 Cb 0.83 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.56 3h3v h TYR 190 CO -0.25 0.00 -0.28 0.87 -0.00 0.00 0.00 178.16 178.51 3h3v h LYS 191 N 0.00 0.00 0.00 4.88 1.57 -1.33 -3.01 116.57 118.68 3h3v h LYS 191 Ca 0.79 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.57 3h3v h LYS 191 Cb 3.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.69 3h3v h LYS 191 CO -0.01 0.00 -0.88 1.28 -0.57 0.00 0.00 179.45 179.27 3h3v n LEU 192 N -2.42 0.77 0.00 2.94 4.77 1.02 -4.96 117.00 119.12 3h3v n LEU 192 Ca 0.04 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3h3v n LEU 192 Cb 0.46 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3h3v n LEU 192 CO 0.34 0.18 0.00 0.29 -1.33 0.00 0.00 177.39 176.87 3h3v n LYS 193 N -1.58 0.00 -1.89 3.23 5.02 0.03 -4.76 118.16 118.21 3h3v n LYS 193 Ca 0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 3h3v n LYS 193 Cb 0.35 -0.59 -0.03 0.00 -0.02 0.00 0.00 35.03 34.75 3h3v n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3h3v s GLU 194 N -0.34 4.19 0.31 1.97 0.41 -1.23 -4.76 118.70 119.25 3h3v s GLU 194 Ca 0.00 2.43 -0.29 0.00 -0.41 0.00 0.00 54.97 56.70 3h3v s GLU 194 Cb 0.00 -3.11 -0.10 0.00 -1.78 0.00 0.00 34.13 29.14 3h3v s GLU 194 CO 0.00 -0.60 1.34 0.00 -0.49 0.00 0.00 175.26 175.51 3h3v h PRO 196 N 3.78 0.00 0.05 0.00 0.13 -1.93 -2.89 132.00 131.15 3h3v h PRO 196 Ca -0.48 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.40 3h3v h PRO 196 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3h3v h PRO 196 CO 0.68 0.11 -1.05 0.74 -0.23 0.00 0.00 178.00 178.26 3h3v h PHE 197 N 0.00 0.60 -0.52 1.56 -1.00 -2.00 -3.44 116.94 112.14 3h3v h PHE 197 Ca -0.00 -0.36 -0.54 0.00 2.81 0.00 0.00 57.97 59.88 3h3v h PHE 197 Cb 0.34 -0.05 -0.05 0.00 3.61 0.00 0.00 35.95 39.79 3h3v h PHE 197 CO 0.00 1.21 1.65 -3.47 -1.61 0.00 0.00 178.31 176.08 3h3v n ASP 198 N -3.69 1.05 0.00 2.17 2.03 -1.09 -4.76 116.55 112.26 3h3v n ASP 198 Ca -0.08 0.09 0.12 0.00 0.52 0.00 0.00 54.79 55.45 3h3v n ASP 198 Cb 0.90 -1.12 0.72 0.00 -0.72 0.00 0.00 41.12 40.89 3h3v n ASP 198 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3h3v n MET 199 N 8.49 0.75 0.00 -0.67 0.00 -1.26 -4.98 117.12 119.44 3h3v n MET 199 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.25 3h3v n MET 199 Cb 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.89 3h3v n MET 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3h3v n GLY 200 N 0.51 1.24 1.36 3.17 0.00 -1.26 -4.87 105.19 105.33 3h3v n GLY 200 Ca 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3h3v n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3v n GLY 201 N 0.00 0.78 3.31 -0.02 0.00 -0.45 -4.98 105.19 103.82 3h3v n GLY 201 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 3h3v n GLY 201 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h3v s TYR 202 N -2.00 1.14 0.40 1.61 -0.85 -1.26 -4.86 117.35 111.52 3h3v s TYR 202 Ca 0.00 -1.32 0.08 0.00 -0.52 0.00 0.00 57.07 55.31 3h3v s TYR 202 Cb 0.00 -0.42 -0.03 0.00 0.38 0.00 0.00 41.96 41.89 3h3v s TYR 202 CO 0.00 -0.79 0.29 -0.06 -1.52 0.00 0.00 175.55 173.47 3h3v s PHE 203 N -3.89 2.69 -0.31 -3.49 0.40 -0.19 -0.43 117.98 112.76 3h3v s PHE 203 Ca 0.36 -0.49 -0.02 0.00 -0.60 0.00 0.00 56.93 56.17 3h3v s PHE 203 Cb 0.04 -2.02 0.11 0.00 0.51 0.00 0.00 43.02 41.66 3h3v s PHE 203 CO 0.15 0.05 0.13 0.42 0.70 0.00 0.00 175.22 176.67 3h3v s ILE 204 N -2.49 0.37 0.03 0.64 1.01 -1.26 -1.20 121.20 118.30 3h3v s ILE 204 Ca 0.44 -1.21 0.05 0.00 0.00 0.00 0.00 60.65 59.94 3h3v s ILE 204 Cb -0.01 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 3h3v s ILE 204 CO 0.26 -0.75 -0.12 -0.63 0.00 0.00 0.00 174.94 173.69 3h3v s ILE 205 N 1.70 3.23 0.00 2.92 1.09 -0.65 -1.15 121.20 128.34 3h3v s ILE 205 Ca 0.11 -0.99 0.00 0.00 -1.10 0.00 0.00 60.65 58.67 3h3v s ILE 205 Cb -0.18 -2.39 0.00 0.00 -1.06 0.00 0.00 42.46 38.83 3h3v s ILE 205 CO -0.26 0.36 0.00 0.59 -0.10 0.00 0.00 174.94 175.52 3h3v n ASN 206 N 1.52 0.00 0.00 3.58 3.02 0.21 -2.56 115.26 121.03 3h3v n ASN 206 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 3h3v n ASN 206 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 3h3v n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h3v n GLY 207 N -0.93 1.87 3.78 7.41 0.00 -0.57 -4.69 105.19 112.05 3h3v n GLY 207 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 3h3v n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h3v s SER 208 N -4.00 1.81 -0.40 1.61 1.04 -1.06 -4.44 113.70 108.27 3h3v s SER 208 Ca 0.00 0.29 -0.16 0.00 0.48 0.00 0.00 55.95 56.56 3h3v s SER 208 Cb 0.00 -0.30 0.01 0.00 0.10 0.00 0.00 66.02 65.83 3h3v s SER 208 CO 0.00 -3.54 0.38 -1.61 0.98 0.00 0.00 173.24 169.45 3h3v s GLU 209 N -5.78 3.18 -0.15 4.02 2.02 -1.26 -1.64 118.70 119.09 3h3v s GLU 209 Ca 0.75 -0.74 -0.11 0.00 0.02 0.00 0.00 54.97 54.89 3h3v s GLU 209 Cb -0.04 -3.93 -0.05 0.00 0.10 0.00 0.00 34.13 30.21 3h3v s GLU 209 CO 0.55 -0.74 0.21 0.15 0.02 0.00 0.00 175.26 175.45 3h3v s LYS 210 N 1.99 4.00 -0.18 1.61 -0.14 -0.34 -1.47 119.74 125.21 3h3v s LYS 210 Ca 0.10 -0.03 -0.03 0.00 -1.36 0.00 0.00 55.97 54.66 3h3v s LYS 210 Cb -0.17 -3.35 -0.01 0.00 -1.68 0.00 0.00 37.83 32.62 3h3v s LYS 210 CO 0.12 0.44 -0.07 0.08 -0.76 0.00 0.00 175.35 175.15 3h3v s VAL 211 N -0.09 3.31 0.16 3.17 1.01 -1.22 -1.02 120.40 125.71 3h3v s VAL 211 Ca 0.14 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 3h3v s VAL 211 Cb -0.12 -2.46 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 3h3v s VAL 211 CO 0.03 0.47 0.97 -0.76 0.00 0.00 0.00 175.10 175.81 3h3v s LEU 212 N 0.97 4.55 -0.06 3.92 1.43 -1.26 -1.10 118.68 127.12 3h3v s LEU 212 Ca -0.01 1.88 -0.01 0.00 -1.03 0.00 0.00 54.13 54.96 3h3v s LEU 212 Cb -0.15 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 3h3v s LEU 212 CO -0.00 -0.01 -0.02 -0.63 0.23 0.00 0.00 176.35 175.93 3h3v s ILE 213 N -0.42 4.13 0.23 -0.59 -1.09 -1.26 -4.80 121.20 117.40 3h3v s ILE 213 Ca 0.45 -0.37 -0.28 0.00 -2.23 0.00 0.00 60.65 58.22 3h3v s ILE 213 Cb -0.25 -2.75 -0.16 0.00 -1.58 0.00 0.00 42.46 37.73 3h3v s ILE 213 CO 0.31 0.56 0.68 0.00 -1.23 0.00 0.00 174.94 175.26 3h3v n ALA 214 N 2.01 -2.04 -3.94 9.38 0.00 -0.92 -4.74 120.51 120.26 3h3v n ALA 214 Ca -0.18 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 53.38 3h3v n ALA 214 Cb 0.53 -1.74 -0.14 0.00 0.00 0.00 0.00 19.45 18.10 3h3v n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3h3v s GLN 215 N -1.16 1.88 0.37 0.00 -1.52 -0.82 -0.96 119.66 117.43 3h3v s GLN 215 Ca 0.63 -2.36 -0.27 0.00 -1.95 0.00 0.00 55.36 51.41 3h3v s GLN 215 Cb -0.86 -3.33 -0.10 0.00 -0.22 0.00 0.00 33.01 28.50 3h3v s GLN 215 CO 0.57 -1.06 1.30 -2.00 -0.25 0.00 0.00 175.29 173.85 3h3v s GLU 216 N 0.15 4.17 -0.02 2.91 2.12 -0.63 -1.96 118.70 125.44 3h3v s GLU 216 Ca 0.15 2.18 -0.28 0.00 0.36 0.00 0.00 54.97 57.37 3h3v s GLU 216 Cb -0.23 -2.91 0.10 0.00 0.26 0.00 0.00 34.13 31.34 3h3v s GLU 216 CO -0.03 -0.33 0.82 -0.98 -0.54 0.00 0.00 175.26 174.20 3h3v s ARG 217 N -2.02 0.90 0.05 4.30 1.04 -0.86 -4.42 118.95 117.94 3h3v s ARG 217 Ca 0.53 -0.11 -0.31 0.00 -1.04 0.00 0.00 55.73 54.80 3h3v s ARG 217 Cb -0.39 0.42 -0.07 0.00 -2.04 0.00 0.00 34.95 32.87 3h3v s ARG 217 CO 0.51 -0.35 1.46 0.45 -0.04 0.00 0.00 175.30 177.33 3h3v s SER 218 N -1.94 6.78 1.20 -2.89 0.15 -1.26 -0.31 113.70 115.43 3h3v s SER 218 Ca -0.01 2.27 -0.17 0.00 0.70 0.00 0.00 55.95 58.75 3h3v s SER 218 Cb -0.01 -2.57 0.26 0.00 -1.71 0.00 0.00 66.02 61.99 3h3v s SER 218 CO -0.03 -0.74 0.59 0.00 1.20 0.00 0.00 173.24 174.26 3h3v n ALA 219 N 4.96 -3.59 -3.72 5.45 0.00 0.41 -4.71 120.51 119.31 3h3v n ALA 219 Ca 0.13 -1.04 -0.07 0.00 0.00 0.00 0.00 53.44 52.46 3h3v n ALA 219 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 3h3v n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3v n GLY 220 N -3.30 3.90 4.16 0.00 0.00 -1.26 -4.85 105.19 103.84 3h3v n GLY 220 Ca 0.09 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 3h3v n GLY 220 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h3v n ASN 221 N -1.92 -1.93 -3.89 1.61 3.02 1.24 -4.91 115.26 108.49 3h3v n ASN 221 Ca -0.01 -1.04 -0.12 0.00 -0.03 0.00 0.00 54.58 53.37 3h3v n ASN 221 Cb 0.15 -2.71 -0.14 0.00 -0.61 0.00 0.00 39.78 36.48 3h3v n ASN 221 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3h3v s ILE 222 N -3.60 0.06 0.06 2.41 1.01 -1.26 -4.62 121.20 115.27 3h3v s ILE 222 Ca 0.45 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.69 3h3v s ILE 222 Cb -0.24 -0.07 -0.05 0.00 0.01 0.00 0.00 42.46 42.11 3h3v s ILE 222 CO 0.93 -0.02 1.00 0.68 0.00 0.00 0.00 174.94 177.52 3h3v s VAL 223 N -0.13 4.61 -0.09 2.92 -7.23 -1.26 -4.08 120.40 115.14 3h3v s VAL 223 Ca -0.01 1.99 -0.07 0.00 -1.81 0.00 0.00 61.98 62.08 3h3v s VAL 223 Cb -0.01 -4.27 0.03 0.00 0.56 0.00 0.00 36.38 32.69 3h3v s VAL 223 CO -0.00 0.22 0.22 -1.10 -0.31 0.00 0.00 175.10 174.13 3h3v s GLN 224 N 0.56 0.23 -0.17 4.82 -0.21 -0.77 -4.97 119.66 119.14 3h3v s GLN 224 Ca 0.50 0.37 -0.07 0.00 0.02 0.00 0.00 55.36 56.18 3h3v s GLN 224 Cb -0.23 0.04 -0.04 0.00 1.00 0.00 0.00 33.01 33.78 3h3v s GLN 224 CO 0.29 -0.07 0.05 0.14 -2.12 0.00 0.00 175.29 173.57 3h3v s VAL 225 N 0.49 4.66 0.00 1.09 -7.23 -1.26 -0.67 120.40 117.48 3h3v s VAL 225 Ca -0.03 -0.08 0.04 0.00 -1.81 0.00 0.00 61.98 60.09 3h3v s VAL 225 Cb -0.05 -3.08 -0.01 0.00 0.56 0.00 0.00 36.38 33.80 3h3v s VAL 225 CO -0.02 0.48 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.77 3h3v s PHE 226 N 0.26 1.05 0.09 2.82 2.99 0.38 -0.83 117.98 124.73 3h3v s PHE 226 Ca 0.03 -0.23 -0.19 0.00 0.00 0.00 0.00 56.93 56.54 3h3v s PHE 226 Cb -0.13 -0.66 -0.07 0.00 0.00 0.00 0.00 43.02 42.17 3h3v s PHE 226 CO 0.01 -0.01 0.59 0.15 -0.00 0.00 0.00 175.22 175.96 3h3v s LYS 227 N -0.46 4.22 -0.12 0.44 1.02 -1.26 -1.65 119.74 121.92 3h3v s LYS 227 Ca 0.03 0.76 -0.06 0.00 0.02 0.00 0.00 55.97 56.72 3h3v s LYS 227 Cb -0.05 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 3h3v s LYS 227 CO -0.00 0.61 0.11 0.15 -0.92 0.00 0.00 175.35 175.30 3h3v s LYS 228 N -1.21 3.43 0.80 1.68 -0.14 -0.71 -4.98 119.74 118.61 3h3v s LYS 228 Ca 0.31 -0.20 -0.15 0.00 -1.36 0.00 0.00 55.97 54.57 3h3v s LYS 228 Cb -0.19 -3.13 -0.13 0.00 -1.68 0.00 0.00 37.83 32.69 3h3v s LYS 228 CO 0.20 0.71 -0.61 0.00 -0.76 0.00 0.00 175.35 174.89 3h3v n ALA 229 N 2.18 -4.77 -0.20 5.17 0.00 -1.26 -4.84 120.51 116.79 3h3v n ALA 229 Ca -0.19 -0.51 -0.00 0.00 0.00 0.00 0.00 53.44 52.73 3h3v n ALA 229 Cb 0.54 -1.01 0.10 0.00 0.00 0.00 0.00 19.45 19.09 3h3v n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h3v h ALA 230 N -0.74 0.74 -1.23 0.00 0.00 -1.97 -3.26 119.26 112.79 3h3v h ALA 230 Ca -0.37 0.10 -0.66 0.00 0.00 0.00 0.00 54.91 53.97 3h3v h ALA 230 Cb 1.13 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.91 3h3v h ALA 230 CO 0.22 -0.24 1.64 -1.25 0.00 0.00 0.00 179.25 179.61 3h3v s PRO 231 N -6.10 3.82 -0.28 0.00 0.04 -1.26 -4.88 135.00 126.33 3h3v s PRO 231 Ca -0.13 -1.77 -0.24 0.00 0.04 0.00 0.00 61.00 58.90 3h3v s PRO 231 Cb 0.17 -5.31 0.13 0.00 0.04 0.00 0.00 34.50 29.52 3h3v s PRO 231 CO 0.74 -2.09 1.05 0.45 0.04 0.00 0.00 177.00 177.18 3h3v s SER 232 N 4.17 -0.44 0.49 6.66 0.15 -1.23 -5.01 113.70 118.49 3h3v s SER 232 Ca 0.46 0.83 0.28 0.00 0.70 0.00 0.00 55.95 58.22 3h3v s SER 232 Cb 0.00 0.86 1.11 0.00 -1.71 0.00 0.00 66.02 66.29 3h3v s SER 232 CO -0.02 -0.14 1.90 1.55 1.20 0.00 0.00 173.24 177.73 3h3v h PRO 233 N 4.26 0.00 -5.83 5.44 0.13 -1.91 -3.43 132.00 130.66 3h3v h PRO 233 Ca -0.28 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.25 3h3v h PRO 233 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 3h3v h PRO 233 CO 0.12 0.14 -0.20 0.42 -0.23 0.00 0.00 178.00 178.24 3h3v s ILE 234 N -3.69 5.13 0.00 -3.56 1.09 -1.26 -1.61 121.20 117.29 3h3v s ILE 234 Ca 0.01 0.83 0.00 0.00 -1.10 0.00 0.00 60.65 60.39 3h3v s ILE 234 Cb 0.10 -3.74 0.00 0.00 -1.06 0.00 0.00 42.46 37.76 3h3v s ILE 234 CO 0.60 0.46 0.00 -0.24 -0.10 0.00 0.00 174.94 175.66 3h3v n SER 235 N 2.77 0.00 -4.25 3.58 2.88 -0.50 -4.52 113.62 113.58 3h3v n SER 235 Ca -0.11 0.25 -0.16 0.00 -1.33 0.00 0.00 58.87 57.52 3h3v n SER 235 Cb 0.52 -0.30 -0.11 0.00 -0.75 0.00 0.00 64.21 63.58 3h3v n SER 235 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3h3v s HIS 236 N -0.59 1.35 0.00 0.66 3.76 -1.26 -1.74 115.29 117.47 3h3v s HIS 236 Ca 0.00 -0.63 -0.03 0.00 -0.15 0.00 0.00 55.06 54.25 3h3v s HIS 236 Cb 0.00 -0.69 -0.01 0.00 1.11 0.00 0.00 32.58 32.99 3h3v s HIS 236 CO 0.00 0.13 0.05 0.08 -0.85 0.00 0.00 174.74 174.16 3h3v s VAL 237 N -2.60 0.07 -0.17 -0.90 1.01 -0.66 -3.12 120.40 114.04 3h3v s VAL 237 Ca 0.12 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3h3v s VAL 237 Cb -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.09 3h3v s VAL 237 CO 0.02 -0.33 -0.17 0.00 0.00 0.00 0.00 175.10 174.62 3h3v s ALA 238 N -1.03 2.41 0.07 5.51 0.00 -1.01 -0.47 121.76 127.23 3h3v s ALA 238 Ca -0.11 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 50.78 3h3v s ALA 238 Cb -0.07 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 3h3v s ALA 238 CO 0.00 -0.22 -0.21 -1.21 0.00 0.00 0.00 175.76 174.12 3h3v s GLU 239 N 1.11 1.87 -0.09 0.00 2.02 0.15 -2.24 118.70 121.51 3h3v s GLU 239 Ca 0.00 -1.10 -0.06 0.00 0.02 0.00 0.00 54.97 53.84 3h3v s GLU 239 Cb -0.14 -2.08 0.04 0.00 0.10 0.00 0.00 34.13 32.04 3h3v s GLU 239 CO -0.07 0.51 0.23 -1.50 0.02 0.00 0.00 175.26 174.46 3h3v s ILE 240 N -0.95 -0.03 -0.23 -1.63 2.07 -1.03 -1.84 121.20 117.56 3h3v s ILE 240 Ca 0.14 0.10 -0.05 0.00 -1.41 0.00 0.00 60.65 59.43 3h3v s ILE 240 Cb -0.10 -0.35 -0.01 0.00 0.13 0.00 0.00 42.46 42.13 3h3v s ILE 240 CO 0.05 0.04 -0.01 -0.13 -1.91 0.00 0.00 174.94 172.99 3h3v s ARG 241 N 0.87 3.42 0.01 3.50 0.52 -1.26 -1.02 118.95 124.99 3h3v s ARG 241 Ca -0.06 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 3h3v s ARG 241 Cb -0.07 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 3h3v s ARG 241 CO -0.05 -0.21 0.07 -1.54 0.02 0.00 0.00 175.30 173.59 3h3v s SER 242 N 1.51 5.61 -0.30 0.23 1.04 -0.91 0.38 113.70 121.27 3h3v s SER 242 Ca 0.06 0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.47 3h3v s SER 242 Cb -0.15 -1.59 0.14 0.00 0.10 0.00 0.00 66.02 64.52 3h3v s SER 242 CO -0.01 0.26 0.78 0.00 0.98 0.00 0.00 173.24 175.25 3h3v s ALA 243 N -1.21 -2.24 -0.35 5.32 0.00 -1.25 -2.33 121.76 119.69 3h3v s ALA 243 Ca 0.23 2.26 -0.36 0.00 0.00 0.00 0.00 51.96 54.10 3h3v s ALA 243 Cb -0.12 -1.82 -0.12 0.00 0.00 0.00 0.00 23.12 21.07 3h3v s ALA 243 CO 0.15 -0.83 2.18 1.28 0.00 0.00 0.00 175.76 178.54 3h3v n LEU 244 N 5.04 2.09 0.09 0.00 4.77 -1.26 -4.74 117.00 122.99 3h3v n LEU 244 Ca -0.13 0.44 0.03 0.00 -0.03 0.00 0.00 56.01 56.32 3h3v n LEU 244 Cb 0.52 -1.25 0.15 0.00 -2.33 0.00 0.00 43.42 40.51 3h3v n LEU 244 CO -0.03 -0.72 0.65 -0.62 -1.33 0.00 0.00 177.39 175.34 3h3v n GLU 245 N 8.12 0.04 -3.60 3.23 1.02 -1.26 -4.06 120.64 124.13 3h3v n GLU 245 Ca 0.41 0.40 -0.11 0.00 -0.02 0.00 0.00 57.16 57.84 3h3v n GLU 245 Cb 0.22 -1.96 -0.06 0.00 -0.02 0.00 0.00 31.44 29.61 3h3v n GLU 245 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3h3v s LYS 246 N -2.88 0.63 0.00 3.49 1.02 -1.26 -5.03 119.74 115.70 3h3v s LYS 246 Ca -0.01 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.36 3h3v s LYS 246 Cb 0.02 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 3h3v s LYS 246 CO 0.05 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 3h3v n GLY 247 N 1.41 0.31 3.70 -3.33 0.00 -1.26 -4.61 105.19 101.41 3h3v n GLY 247 Ca -0.12 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3h3v n GLY 247 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3h3v n SER 248 N -0.29 0.00 -3.88 1.61 2.88 -1.26 -4.66 113.62 108.02 3h3v n SER 248 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 3h3v n SER 248 Cb 0.11 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.58 3h3v n SER 248 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h3v n ARG 249 N -1.04 -0.84 -2.12 -1.46 1.74 -1.26 -4.83 116.66 106.85 3h3v n ARG 249 Ca 0.00 0.34 -0.42 0.00 -0.77 0.00 0.00 57.85 57.00 3h3v n ARG 249 Cb 0.00 -2.06 -0.03 0.00 -1.02 0.00 0.00 32.46 29.35 3h3v n ARG 249 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3h3v s PHE 250 N -3.28 1.97 -0.85 -1.55 2.99 -1.26 -4.74 117.98 111.26 3h3v s PHE 250 Ca 0.23 0.65 -0.12 0.00 0.00 0.00 0.00 56.93 57.69 3h3v s PHE 250 Cb -0.13 -4.19 0.22 0.00 0.00 0.00 0.00 43.02 38.93 3h3v s PHE 250 CO 0.85 -2.52 0.78 0.42 -0.00 0.00 0.00 175.22 174.75 3h3v s ILE 251 N 6.84 5.42 0.06 0.64 1.01 -1.26 -3.94 121.20 129.98 3h3v s ILE 251 Ca 0.71 -2.70 0.06 0.00 0.00 0.00 0.00 60.65 58.72 3h3v s ILE 251 Cb -0.18 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 3h3v s ILE 251 CO 0.30 -1.03 -0.09 -0.94 0.00 0.00 0.00 174.94 173.18 3h3v s SER 252 N 1.81 4.45 0.22 3.58 1.04 -0.98 -4.95 113.70 118.86 3h3v s SER 252 Ca 0.20 -0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.30 3h3v s SER 252 Cb -0.11 -0.92 -0.05 0.00 0.10 0.00 0.00 66.02 65.04 3h3v s SER 252 CO -0.08 0.23 0.45 -0.89 0.98 0.00 0.00 173.24 173.92 3h3v s THR 253 N -1.11 5.12 -0.19 2.02 2.01 -1.26 -2.15 115.64 120.09 3h3v s THR 253 Ca 0.19 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.10 3h3v s THR 253 Cb -0.11 -3.70 0.04 0.00 0.01 0.00 0.00 72.50 68.74 3h3v s THR 253 CO 0.11 -0.17 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.53 3h3v s LEU 254 N -3.22 2.23 -0.13 4.42 2.96 -0.19 -4.43 118.68 120.33 3h3v s LEU 254 Ca 0.41 -0.82 -0.05 0.00 -0.22 0.00 0.00 54.13 53.45 3h3v s LEU 254 Cb -0.11 -1.27 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 3h3v s LEU 254 CO 0.28 -0.12 0.06 -1.10 -1.32 0.00 0.00 176.35 174.15 3h3v s GLN 255 N 1.38 3.46 -0.41 1.98 -0.21 -1.16 -2.47 119.66 122.23 3h3v s GLN 255 Ca 0.00 -0.31 0.02 0.00 0.02 0.00 0.00 55.36 55.08 3h3v s GLN 255 Cb -0.15 -3.04 0.13 0.00 1.00 0.00 0.00 33.01 30.94 3h3v s GLN 255 CO -0.09 0.57 0.22 0.08 -2.12 0.00 0.00 175.29 173.94 3h3v s VAL 256 N -0.47 1.22 0.00 1.09 1.01 -0.95 -1.78 120.40 120.52 3h3v s VAL 256 Ca 0.10 -2.32 0.00 0.00 0.00 0.00 0.00 61.98 59.75 3h3v s VAL 256 Cb -0.12 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3h3v s VAL 256 CO 0.02 -0.87 0.00 0.29 0.00 0.00 0.00 175.10 174.54 3h3v n LYS 257 N 3.77 0.23 -2.79 2.72 5.02 0.14 -2.41 118.16 124.84 3h3v n LYS 257 Ca 0.08 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.34 3h3v n LYS 257 Cb 0.36 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.38 3h3v n LYS 257 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3h3v s LEU 258 N 0.00 -0.87 1.28 -0.35 2.96 -1.18 -3.83 118.68 116.69 3h3v s LEU 258 Ca 0.00 -0.88 -0.19 0.00 -0.22 0.00 0.00 54.13 52.84 3h3v s LEU 258 Cb 0.00 1.14 0.30 0.00 0.50 0.00 0.00 46.19 48.12 3h3v s LEU 258 CO 0.00 -0.05 0.67 -1.22 -1.32 0.00 0.00 176.35 174.43 3h3v n TYR 259 N 3.10 -3.02 -2.59 5.38 4.02 -0.69 -1.40 117.16 121.95 3h3v n TYR 259 Ca 0.13 -0.45 -0.05 0.00 -0.01 0.00 0.00 57.90 57.51 3h3v n TYR 259 Cb 0.60 -1.39 -0.05 0.00 -0.02 0.00 0.00 39.34 38.49 3h3v n TYR 259 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h3v n GLY 260 N 2.03 -5.29 1.32 2.72 0.00 -0.64 -4.18 105.19 101.16 3h3v n GLY 260 Ca 0.10 1.73 -0.13 0.00 0.00 0.00 0.00 46.02 47.72 3h3v n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3v n ARG 261 N 1.75 -3.02 -2.08 1.61 1.74 -1.26 -4.58 116.66 110.82 3h3v n ARG 261 Ca -0.40 -0.62 -0.28 0.00 -0.77 0.00 0.00 57.85 55.78 3h3v n ARG 261 Cb 0.62 -0.77 -0.05 0.00 -1.02 0.00 0.00 32.46 31.24 3h3v n ARG 261 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3h3v s GLU 262 N -3.88 2.58 0.00 5.56 2.12 -1.26 -3.40 118.70 120.43 3h3v s GLU 262 Ca 0.28 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.81 3h3v s GLU 262 Cb -0.05 -5.17 0.00 0.00 0.26 0.00 0.00 34.13 29.17 3h3v s GLU 262 CO 0.23 -3.63 0.00 0.41 -0.54 0.00 0.00 175.26 171.73 3h3v n GLY 263 N 6.28 0.67 3.69 -1.50 0.00 -1.26 -5.11 105.19 107.96 3h3v n GLY 263 Ca 0.43 0.05 -0.52 0.00 0.00 0.00 0.00 46.02 45.97 3h3v n GLY 263 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h3v n SER 264 N 0.00 2.94 -4.66 1.61 3.41 -1.22 -4.90 113.62 110.81 3h3v n SER 264 Ca 0.00 1.02 -0.35 0.00 -0.26 0.00 0.00 58.87 59.28 3h3v n SER 264 Cb 0.00 -1.27 0.09 0.00 -0.26 0.00 0.00 64.21 62.77 3h3v n SER 264 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h3v n SER 265 N 5.85 0.94 -1.35 4.04 3.41 -1.26 -4.35 113.62 120.90 3h3v n SER 265 Ca 0.24 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 3h3v n SER 265 Cb 0.22 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.71 3h3v n SER 265 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h3v n ALA 266 N -2.59 -0.41 -1.01 7.33 0.00 -1.26 -4.92 120.51 117.64 3h3v n ALA 266 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.18 3h3v n ALA 266 Cb 0.49 -0.47 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 3h3v n ALA 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h3v n ARG 267 N -1.35 1.41 -2.24 0.00 5.12 -1.26 -4.56 116.66 113.78 3h3v n ARG 267 Ca 0.00 -1.69 -0.40 0.00 -1.93 0.00 0.00 57.85 53.83 3h3v n ARG 267 Cb 0.47 -2.80 -0.03 0.00 -1.16 0.00 0.00 32.46 28.94 3h3v n ARG 267 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3h3v s THR 268 N 4.97 2.99 -0.28 0.55 -1.32 -1.26 -4.63 115.64 116.67 3h3v s THR 268 Ca 0.55 0.99 -0.07 0.00 -1.21 0.00 0.00 61.69 61.94 3h3v s THR 268 Cb 0.14 -3.62 -0.01 0.00 -1.51 0.00 0.00 72.50 67.49 3h3v s THR 268 CO 0.12 0.23 0.08 -0.63 -2.21 0.00 0.00 174.62 172.20 3h3v s ILE 269 N -1.17 4.13 0.26 5.08 1.01 -1.26 -1.71 121.20 127.55 3h3v s ILE 269 Ca 0.48 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.72 3h3v s ILE 269 Cb -0.37 -3.04 -0.06 0.00 0.01 0.00 0.00 42.46 39.01 3h3v s ILE 269 CO 0.48 0.20 -0.00 -0.54 0.00 0.00 0.00 174.94 175.08 3h3v s LYS 270 N 1.56 1.46 -0.02 2.79 1.02 -1.25 -2.48 119.74 122.82 3h3v s LYS 270 Ca 0.05 -1.76 -0.23 0.00 0.02 0.00 0.00 55.97 54.05 3h3v s LYS 270 Cb -0.16 -0.81 0.05 0.00 -0.52 0.00 0.00 37.83 36.39 3h3v s LYS 270 CO 0.03 -0.08 0.50 0.00 -0.92 0.00 0.00 175.35 174.88 3h3v s ALA 271 N -3.29 -1.28 -0.06 5.17 0.00 0.98 0.27 121.76 123.54 3h3v s ALA 271 Ca 0.31 0.77 0.03 0.00 0.00 0.00 0.00 51.96 53.06 3h3v s ALA 271 Cb 0.06 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 3h3v s ALA 271 CO 0.11 -0.36 -0.13 0.99 0.00 0.00 0.00 175.76 176.37 3h3v s THR 272 N -1.53 3.17 0.22 0.00 2.01 -0.73 -0.87 115.64 117.91 3h3v s THR 272 Ca -0.11 -0.68 0.11 0.00 0.31 0.00 0.00 61.69 61.33 3h3v s THR 272 Cb -0.02 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 3h3v s THR 272 CO 0.05 0.59 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.61 3h3v s LEU 273 N -0.67 2.59 -0.06 4.42 1.43 -1.26 -2.99 118.68 122.15 3h3v s LEU 273 Ca 0.10 -0.87 -0.36 0.00 -1.03 0.00 0.00 54.13 51.97 3h3v s LEU 273 Cb -0.11 -1.24 -0.14 0.00 0.03 0.00 0.00 46.19 44.74 3h3v s LEU 273 CO 0.01 0.09 1.73 -0.81 0.23 0.00 0.00 176.35 177.59 3h3v n PRO 274 N -0.12 1.84 -2.17 1.29 -0.04 -1.26 -0.81 135.00 133.73 3h3v n PRO 274 Ca -0.10 0.67 -0.03 0.00 -0.04 0.00 0.00 63.50 64.00 3h3v n PRO 274 Cb 0.57 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 3h3v n PRO 274 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3h3v n TYR 275 N 5.21 -0.20 -3.89 0.54 4.02 -1.26 -4.87 117.16 116.71 3h3v n TYR 275 Ca 0.22 0.03 -0.32 0.00 -0.01 0.00 0.00 57.90 57.82 3h3v n TYR 275 Cb 0.25 -1.46 -0.13 0.00 -0.02 0.00 0.00 39.34 37.98 3h3v n TYR 275 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3h3v s ILE 276 N -2.32 2.88 0.07 -0.72 1.01 0.01 -5.01 121.20 117.13 3h3v s ILE 276 Ca 0.02 -3.18 -0.14 0.00 0.00 0.00 0.00 60.65 57.35 3h3v s ILE 276 Cb -0.01 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 3h3v s ILE 276 CO 0.02 -0.81 0.91 0.29 0.00 0.00 0.00 174.94 175.35 3h3v n LYS 277 N 3.27 -0.19 0.00 2.79 4.76 -1.26 -4.63 118.16 122.89 3h3v n LYS 277 Ca 0.06 0.89 0.00 0.00 -2.87 0.00 0.00 58.31 56.39 3h3v n LYS 277 Cb 0.34 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 3h3v n LYS 277 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 3h3v n GLN 278 N -4.09 3.77 -4.32 1.97 7.27 -1.26 -5.11 117.38 115.61 3h3v n GLN 278 Ca 0.01 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.85 3h3v n GLN 278 Cb 0.11 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.69 3h3v n GLN 278 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3h3v s ASP 279 N -0.74 4.42 -0.02 1.69 1.01 -1.26 -4.72 116.67 117.05 3h3v s ASP 279 Ca 0.00 -0.70 0.04 0.00 0.71 0.00 0.00 52.55 52.60 3h3v s ASP 279 Cb 0.00 -0.77 -0.01 0.00 1.01 0.00 0.00 42.92 43.16 3h3v s ASP 279 CO 0.00 -0.00 -0.14 -0.63 0.21 0.00 0.00 175.17 174.61 3h3v s ILE 280 N -2.35 1.11 0.09 0.77 1.01 -0.05 -4.89 121.20 116.89 3h3v s ILE 280 Ca 0.31 -0.58 -0.31 0.00 0.00 0.00 0.00 60.65 60.08 3h3v s ILE 280 Cb -0.06 -0.94 -0.06 0.00 0.01 0.00 0.00 42.46 41.41 3h3v s ILE 280 CO 0.19 0.32 1.21 -2.16 0.00 0.00 0.00 174.94 174.51 3h3v s PRO 281 N -0.17 4.44 0.62 2.79 0.04 -1.26 -0.02 135.00 141.44 3h3v s PRO 281 Ca 0.02 1.82 0.18 0.00 0.04 0.00 0.00 61.00 63.06 3h3v s PRO 281 Cb -0.07 -3.32 0.62 0.00 0.04 0.00 0.00 34.50 31.77 3h3v s PRO 281 CO 0.00 -0.23 1.20 0.44 0.04 0.00 0.00 177.00 178.45 3h3v n ILE 282 N 3.63 0.00 0.00 0.56 -5.35 -1.03 -1.70 119.36 115.46 3h3v n ILE 282 Ca 0.08 1.17 0.00 0.00 -0.27 0.00 0.00 62.75 63.73 3h3v n ILE 282 Cb 0.46 -2.17 0.00 0.00 -1.74 0.00 0.00 39.64 36.19 3h3v n ILE 282 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3h3v n VAL 283 N -3.00 0.00 -0.33 7.28 0.31 -1.26 -1.26 118.33 120.07 3h3v n VAL 283 Ca 0.16 1.09 0.04 0.00 -0.01 0.00 0.00 64.34 65.62 3h3v n VAL 283 Cb 1.36 -2.03 0.11 0.00 -0.91 0.00 0.00 33.84 32.37 3h3v n VAL 283 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3h3v h ILE 284 N 0.00 0.07 -0.36 2.52 2.04 -1.63 0.60 117.51 120.74 3h3v h ILE 284 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 3h3v h ILE 284 Cb 0.00 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 36.08 3h3v h ILE 284 CO 0.00 0.00 -0.12 0.40 0.00 0.00 0.00 178.15 178.43 3h3v h ILE 285 N -0.01 0.59 -0.13 -0.67 2.04 -1.60 0.24 117.51 117.97 3h3v h ILE 285 Ca 0.43 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.33 3h3v h ILE 285 Cb 0.66 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3h3v h ILE 285 CO -0.95 0.00 0.14 -0.26 0.00 0.00 0.00 178.15 177.08 3h3v h PHE 286 N -0.04 0.00 0.10 1.37 0.05 0.16 -1.30 116.94 117.28 3h3v h PHE 286 Ca 0.18 0.00 -0.25 0.00 3.82 0.00 0.00 57.97 61.71 3h3v h PHE 286 Cb 0.30 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.25 3h3v h PHE 286 CO -0.35 0.00 -1.30 0.00 -0.18 0.00 0.00 178.31 176.48 3h3v h ARG 287 N 0.00 0.21 0.00 1.51 3.08 -0.19 -1.60 114.38 117.39 3h3v h ARG 287 Ca 0.06 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.76 3h3v h ARG 287 Cb 0.33 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3h3v h ARG 287 CO -0.00 1.17 0.00 0.00 -1.07 0.00 0.00 179.97 180.07 3h3v n ALA 288 N -2.98 1.16 -0.01 0.04 0.00 0.63 -0.53 120.51 118.83 3h3v n ALA 288 Ca -0.24 -0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.01 3h3v n ALA 288 Cb 0.85 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.13 3h3v n ALA 288 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3h3v n LEU 289 N -1.44 2.17 0.00 0.00 0.00 -0.54 -4.80 117.00 112.39 3h3v n LEU 289 Ca 0.01 0.23 0.00 0.00 0.00 0.00 0.00 56.01 56.25 3h3v n LEU 289 Cb 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 43.42 42.69 3h3v n LEU 289 CO 0.02 0.74 0.00 0.61 0.00 0.00 0.00 177.39 178.76 3h3v n GLY 290 N 1.90 1.22 2.63 -3.96 0.00 0.31 -4.86 105.19 102.45 3h3v n GLY 290 Ca -0.29 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 3h3v n GLY 290 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h3v n ILE 291 N 0.00 2.11 -0.29 -0.61 5.41 -0.61 -4.99 119.36 120.39 3h3v n ILE 291 Ca 0.00 -4.88 0.03 0.00 1.00 0.00 0.00 62.75 58.89 3h3v n ILE 291 Cb 0.00 -0.92 0.10 0.00 -0.71 0.00 0.00 39.64 38.11 3h3v n ILE 291 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3h3v h ILE 292 N 2.57 0.18 -4.03 1.39 2.04 -1.78 -3.39 117.51 114.48 3h3v h ILE 292 Ca 0.16 0.00 -0.46 0.00 1.00 0.00 0.00 64.86 65.56 3h3v h ILE 292 Cb 0.81 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3h3v h ILE 292 CO 0.75 0.00 0.30 -2.16 0.00 0.00 0.00 178.15 177.04 3h3v s PRO 293 N -6.24 4.08 1.39 2.37 0.04 -1.26 -4.91 135.00 130.47 3h3v s PRO 293 Ca -0.15 0.96 -0.23 0.00 0.04 0.00 0.00 61.00 61.63 3h3v s PRO 293 Cb 0.23 -2.21 0.35 0.00 0.04 0.00 0.00 34.50 32.91 3h3v s PRO 293 CO 0.76 -0.08 0.97 -0.51 0.04 0.00 0.00 177.00 178.18 3h3v s ASP 294 N -2.54 -0.71 0.00 6.66 -0.00 -1.26 -2.68 116.67 116.14 3h3v s ASP 294 Ca 0.59 0.76 0.00 0.00 -0.00 0.00 0.00 52.55 53.91 3h3v s ASP 294 Cb -0.10 -1.06 0.00 0.00 -0.00 0.00 0.00 42.92 41.77 3h3v s ASP 294 CO 0.21 -5.14 0.00 0.61 -0.00 0.00 0.00 175.17 170.84 3h3v n GLY 295 N 0.83 0.00 0.19 0.21 0.00 -1.26 -3.91 105.19 101.24 3h3v n GLY 295 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 3h3v n GLY 295 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h3v h GLU 296 N 0.00 0.45 -0.03 1.61 4.81 -1.90 -2.38 114.58 117.14 3h3v h GLU 296 Ca 0.00 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 3h3v h GLU 296 Cb 0.00 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 3h3v h GLU 296 CO 0.00 0.97 -0.03 0.82 -0.73 0.00 0.00 179.01 180.04 3h3v h ILE 297 N 0.32 1.38 -0.23 2.32 2.04 -1.62 -3.07 117.51 118.65 3h3v h ILE 297 Ca -0.02 -1.19 0.07 0.00 1.00 0.00 0.00 64.86 64.72 3h3v h ILE 297 Cb 1.25 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 3h3v h ILE 297 CO 0.12 0.32 0.34 -0.07 0.00 0.00 0.00 178.15 178.86 3h3v h LEU 298 N -0.40 0.00 -0.38 1.44 -0.00 -1.83 -0.79 115.31 113.35 3h3v h LEU 298 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.70 3h3v h LEU 298 Cb 0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.19 3h3v h LEU 298 CO 0.01 0.00 -0.65 -0.33 -0.00 0.00 0.00 178.44 177.46 3h3v h GLU 299 N 0.00 0.59 0.00 1.13 5.08 -1.32 0.26 114.58 120.32 3h3v h GLU 299 Ca 0.11 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 3h3v h GLU 299 Cb 0.78 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 3h3v h GLU 299 CO -0.00 1.05 -0.14 0.45 -1.00 0.00 0.00 179.01 179.37 3h3v h HIS 300 N 0.43 0.00 0.00 4.33 3.86 -1.22 -3.32 115.15 119.23 3h3v h HIS 300 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3h3v h HIS 300 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 3h3v h HIS 300 CO 0.06 0.14 -0.75 -0.89 0.86 0.00 0.00 177.93 177.34 3h3v n ILE 301 N -3.44 1.38 -3.47 2.45 5.41 -1.13 -3.78 119.36 116.78 3h3v n ILE 301 Ca -0.01 0.19 -0.38 0.00 1.00 0.00 0.00 62.75 63.56 3h3v n ILE 301 Cb 0.31 -2.32 -0.08 0.00 -0.71 0.00 0.00 39.64 36.84 3h3v n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h3v n TYR 303 N 4.33 3.09 0.00 0.00 0.53 -1.26 -4.34 117.16 119.51 3h3v n TYR 303 Ca -0.10 -2.59 0.00 0.00 -1.02 0.00 0.00 57.90 54.18 3h3v n TYR 303 Cb 0.51 -1.06 0.00 0.00 -1.03 0.00 0.00 39.34 37.77 3h3v n TYR 303 CO 0.00 0.00 0.00 -3.47 -1.02 0.00 0.00 176.86 172.37 3h3v n ASP 304 N -0.63 0.00 -1.41 7.72 -0.08 -1.26 -4.90 116.55 115.98 3h3v n ASP 304 Ca 0.54 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.82 3h3v n ASP 304 Cb 0.43 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.89 3h3v n ASP 304 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3h3v n VAL 305 N 0.00 0.81 -1.05 5.18 0.31 -1.26 -2.22 118.33 120.09 3h3v n VAL 305 Ca 0.00 -0.14 0.04 0.00 -0.01 0.00 0.00 64.34 64.23 3h3v n VAL 305 Cb 0.00 -1.04 0.06 0.00 -0.91 0.00 0.00 33.84 31.95 3h3v n VAL 305 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3h3v n ASN 306 N 1.30 1.37 -3.27 4.52 3.02 -1.26 -4.84 115.26 116.10 3h3v n ASN 306 Ca 0.00 -2.29 -0.32 0.00 -0.03 0.00 0.00 54.58 51.94 3h3v n ASN 306 Cb 0.26 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 3h3v n ASN 306 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3h3v n ASP 307 N -0.68 5.29 -0.32 6.41 -0.08 -0.94 -4.88 116.55 121.34 3h3v n ASP 307 Ca 0.06 -3.64 0.17 0.00 -1.51 0.00 0.00 54.79 49.87 3h3v n ASP 307 Cb 0.55 -0.79 0.36 0.00 2.34 0.00 0.00 41.12 43.59 3h3v n ASP 307 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 3h3v h TRP 308 N 3.65 0.75 0.00 -0.67 5.08 -1.88 0.05 115.95 122.93 3h3v h TRP 308 Ca 0.25 0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.26 3h3v h TRP 308 Cb 0.48 -0.18 0.00 0.00 -3.00 0.00 0.00 29.16 26.46 3h3v h TRP 308 CO 0.97 -0.08 0.00 1.04 -1.28 0.00 0.00 178.44 179.09 3h3v n GLN 309 N -5.04 0.00 -0.04 0.12 6.02 -1.26 0.22 117.38 117.40 3h3v n GLN 309 Ca 0.25 0.78 -0.08 0.00 -0.01 0.00 0.00 57.00 57.94 3h3v n GLN 309 Cb 0.76 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.59 3h3v n GLN 309 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 3h3v h MET 310 N 0.00 -0.19 -0.06 -1.09 4.05 -1.84 -1.63 114.93 114.18 3h3v h MET 310 Ca 0.00 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 3h3v h MET 310 Cb 0.00 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 3h3v h MET 310 CO 0.00 -0.13 -0.10 -0.07 0.23 0.00 0.00 176.91 176.84 3h3v h LEU 311 N -0.20 -0.34 -0.47 3.39 3.38 -0.50 0.62 115.31 121.20 3h3v h LEU 311 Ca 0.13 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.19 3h3v h LEU 311 Cb 0.40 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 3h3v h LEU 311 CO -0.35 -0.08 -0.26 1.21 0.09 0.00 0.00 178.44 179.05 3h3v n GLU 312 N -3.17 -0.19 -0.35 1.13 4.07 0.59 0.33 120.64 123.06 3h3v n GLU 312 Ca -0.01 0.71 0.09 0.00 -0.06 0.00 0.00 57.16 57.89 3h3v n GLU 312 Cb 0.06 -1.05 0.19 0.00 -0.06 0.00 0.00 31.44 30.58 3h3v n GLU 312 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 3h3v h MET 313 N 0.00 0.00 0.00 5.31 2.86 0.07 0.66 114.93 123.84 3h3v h MET 313 Ca 0.09 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3h3v h MET 313 Cb 0.21 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3h3v h MET 313 CO -0.45 0.00 0.00 1.28 1.06 0.00 0.00 176.91 178.80 3h3v n LEU 314 N -5.59 0.00 0.07 1.22 4.32 0.15 -3.73 117.00 113.44 3h3v n LEU 314 Ca 0.18 0.47 -0.12 0.00 -0.02 0.00 0.00 56.01 56.51 3h3v n LEU 314 Cb 0.58 -0.47 -0.05 0.00 -1.62 0.00 0.00 43.42 41.86 3h3v n LEU 314 CO -0.10 -0.05 0.64 0.50 -1.22 0.00 0.00 177.39 177.16 3h3v h LYS 315 N 0.00 -0.48 -0.64 3.23 3.64 0.56 0.56 116.57 123.44 3h3v h LYS 315 Ca 0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3h3v h LYS 315 Cb 0.42 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 3h3v h LYS 315 CO 0.00 -0.32 0.37 -1.00 -2.27 0.00 0.00 179.45 176.23 3h3v h PRO 316 N -0.50 0.87 0.35 1.90 0.13 -1.69 -2.63 132.00 130.44 3h3v h PRO 316 Ca 0.05 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3h3v h PRO 316 Cb 0.57 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.49 3h3v h PRO 316 CO -0.26 0.62 -0.51 0.00 -0.23 0.00 0.00 178.00 177.63 3h3v h VAL 318 N -0.90 0.06 -1.01 0.00 2.07 0.38 0.33 116.25 117.18 3h3v h VAL 318 Ca -0.04 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.71 3h3v h VAL 318 Cb 0.83 0.06 -0.11 0.00 -1.52 0.00 0.00 31.29 30.55 3h3v h VAL 318 CO -0.15 0.00 0.62 -0.33 0.02 0.00 0.00 177.57 177.73 3h3v h GLU 319 N -0.08 0.58 -0.60 1.57 5.08 -1.30 -0.24 114.58 119.59 3h3v h GLU 319 Ca 0.28 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.71 3h3v h GLU 319 Cb 0.57 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.60 3h3v h GLU 319 CO -0.86 0.38 0.15 0.22 -1.00 0.00 0.00 179.01 177.90 3h3v h ASP 320 N 0.59 0.05 -0.42 1.42 3.58 0.02 -1.69 116.42 119.97 3h3v h ASP 320 Ca 0.60 0.10 0.00 0.00 0.42 0.00 0.00 57.03 58.16 3h3v h ASP 320 Cb 1.17 0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.36 3h3v h ASP 320 CO -0.38 0.04 0.00 0.61 -2.88 0.00 0.00 179.24 176.62 3h3v n GLY 321 N -1.31 1.18 0.28 -0.78 0.00 -0.13 -4.33 105.19 100.10 3h3v n GLY 321 Ca 0.09 -0.47 0.19 0.00 0.00 0.00 0.00 46.02 45.83 3h3v n GLY 321 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3h3v h PHE 322 N 2.47 0.00 -0.19 1.61 3.57 -1.00 -2.57 116.94 120.82 3h3v h PHE 322 Ca 0.00 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 3h3v h PHE 322 Cb 0.68 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 3h3v h PHE 322 CO 0.33 0.00 0.10 0.28 -2.23 0.00 0.00 178.31 176.79 3h3v n VAL 323 N -2.88 1.21 -4.03 1.41 0.31 -1.26 -4.74 118.33 108.35 3h3v n VAL 323 Ca -0.02 -0.39 -0.10 0.00 -0.01 0.00 0.00 64.34 63.82 3h3v n VAL 323 Cb 0.12 -0.74 -0.08 0.00 -0.91 0.00 0.00 33.84 32.23 3h3v n VAL 323 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3h3v s ILE 324 N -0.95 0.05 0.00 2.52 1.01 -0.97 -5.08 121.20 117.77 3h3v s ILE 324 Ca 0.13 -1.55 0.00 0.00 0.00 0.00 0.00 60.65 59.22 3h3v s ILE 324 Cb 0.10 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.55 3h3v s ILE 324 CO 0.03 -0.23 0.00 1.67 0.00 0.00 0.00 174.94 176.41 3h3v n GLN 325 N -0.23 0.00 -4.36 2.79 -0.06 -1.26 -5.06 117.38 109.20 3h3v n GLN 325 Ca -0.05 0.00 -0.25 0.00 -2.00 0.00 0.00 57.00 54.70 3h3v n GLN 325 Cb 0.63 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.72 3h3v n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 3h3v s ASP 326 N -0.28 4.04 0.61 1.69 1.47 -1.26 -4.82 116.67 118.12 3h3v s ASP 326 Ca 0.00 -0.75 0.31 0.00 1.18 0.00 0.00 52.55 53.28 3h3v s ASP 326 Cb 0.00 -0.58 1.76 0.00 -0.34 0.00 0.00 42.92 43.76 3h3v s ASP 326 CO 0.00 0.06 2.12 -0.09 0.68 0.00 0.00 175.17 177.95 3h3v h ARG 327 N 2.51 0.00 0.21 2.11 2.43 -1.96 -1.92 114.38 117.77 3h3v h ARG 327 Ca -0.44 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 3h3v h ARG 327 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3h3v h ARG 327 CO 0.56 0.00 -0.10 0.93 -1.51 0.00 0.00 179.97 179.85 3h3v h GLU 328 N 0.00 -0.27 0.00 0.20 5.08 -1.94 -2.19 114.58 115.46 3h3v h GLU 328 Ca 0.06 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3h3v h GLU 328 Cb 0.42 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3h3v h GLU 328 CO -0.00 -0.18 0.00 2.41 -1.00 0.00 0.00 179.01 180.24 3h3v n THR 329 N -3.17 1.53 0.11 1.13 -1.04 -1.13 0.55 114.28 112.26 3h3v n THR 329 Ca -0.03 0.38 -0.24 0.00 -2.04 0.00 0.00 64.05 62.12 3h3v n THR 329 Cb 0.11 -1.28 -0.15 0.00 -1.82 0.00 0.00 70.33 67.18 3h3v n THR 329 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h3v h ALA 330 N 2.21 -0.04 0.01 2.41 0.00 -1.33 -1.85 119.26 120.67 3h3v h ALA 330 Ca 0.00 -0.96 -0.20 0.00 0.00 0.00 0.00 54.91 53.75 3h3v h ALA 330 Cb 0.10 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3h3v h ALA 330 CO 0.00 0.80 -0.94 -0.07 0.00 0.00 0.00 179.25 179.05 3h3v h LEU 331 N 0.09 0.04 0.33 0.00 4.07 -0.54 -3.30 115.31 116.01 3h3v h LEU 331 Ca -0.29 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.62 3h3v h LEU 331 Cb 2.11 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.84 3h3v h LEU 331 CO 0.23 0.95 -0.16 -0.78 -1.08 0.00 0.00 178.44 177.60 3h3v h ASP 332 N 0.01 -0.37 0.00 -0.43 3.58 0.06 -2.94 116.42 116.32 3h3v h ASP 332 Ca -0.02 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.35 3h3v h ASP 332 Cb 1.64 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 42.76 3h3v h ASP 332 CO 0.13 -0.24 0.01 0.33 -2.88 0.00 0.00 179.24 176.59 3h3v n PHE 333 N -5.27 0.00 -3.03 0.28 7.35 -0.70 -2.92 117.46 113.17 3h3v n PHE 333 Ca -0.10 -0.72 -0.15 0.00 -0.76 0.00 0.00 57.45 55.72 3h3v n PHE 333 Cb 0.21 -0.83 0.01 0.00 0.35 0.00 0.00 39.48 39.22 3h3v n PHE 333 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3h3v n ILE 334 N 2.40 -0.06 -2.14 -2.13 5.41 -1.11 -5.02 119.36 116.71 3h3v n ILE 334 Ca 0.15 -3.64 0.00 0.00 1.00 0.00 0.00 62.75 60.26 3h3v n ILE 334 Cb 0.42 0.27 0.00 0.00 -0.71 0.00 0.00 39.64 39.62 3h3v n ILE 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3h3v n GLY 335 N 0.26 5.42 3.65 7.39 0.00 -1.15 -4.60 105.19 116.16 3h3v n GLY 335 Ca 0.19 -1.30 -0.24 0.00 0.00 0.00 0.00 46.02 44.67 3h3v n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3v s LYS 345 N 1.86 2.17 0.00 1.61 1.02 -1.26 -4.96 119.74 120.19 3h3v s LYS 345 Ca 0.00 -1.62 0.00 0.00 0.02 0.00 0.00 55.97 54.37 3h3v s LYS 345 Cb 0.00 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 3h3v s LYS 345 CO 0.00 0.20 0.00 0.39 -0.92 0.00 0.00 175.35 175.02 3h3v n GLU 346 N -0.96 0.00 0.12 1.68 1.02 -1.26 -4.18 120.64 117.06 3h3v n GLU 346 Ca -0.05 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 3h3v n GLU 346 Cb 0.61 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.95 3h3v n GLU 346 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3h3v h LYS 347 N 0.00 -0.28 -0.17 3.49 2.10 -2.04 -3.09 116.57 116.57 3h3v h LYS 347 Ca 0.00 0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.66 3h3v h LYS 347 Cb 0.00 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 3h3v h LYS 347 CO 0.00 -0.01 0.06 0.07 -2.00 0.00 0.00 179.45 177.57 3h3v h ARG 348 N -0.54 0.26 -0.62 0.07 0.11 -1.94 -2.18 114.38 109.54 3h3v h ARG 348 Ca -0.03 -0.05 0.18 0.00 0.10 0.00 0.00 59.98 60.18 3h3v h ARG 348 Cb 0.40 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.41 3h3v h ARG 348 CO 0.05 0.34 0.77 0.82 0.10 0.00 0.00 179.97 182.06 3h3v h ILE 349 N 0.12 0.17 0.00 0.08 2.04 -1.85 -0.95 117.51 117.12 3h3v h ILE 349 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3h3v h ILE 349 Cb 0.18 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3h3v h ILE 349 CO -0.00 0.00 -0.00 -0.61 0.00 0.00 0.00 178.15 177.53 3h3v h GLN 350 N 0.00 0.00 -1.13 2.37 5.75 -1.32 -3.37 115.11 117.42 3h3v h GLN 350 Ca 0.29 0.00 0.39 0.00 -0.15 0.00 0.00 58.65 59.19 3h3v h GLN 350 Cb 1.84 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 30.27 3h3v h GLN 350 CO -0.00 0.00 0.72 0.98 -2.65 0.00 0.00 178.83 177.87 3h3v n TYR 351 N -2.22 0.61 0.19 3.99 9.36 -0.46 0.36 117.16 128.98 3h3v n TYR 351 Ca -0.00 0.61 -0.16 0.00 3.32 0.00 0.00 57.90 61.68 3h3v n TYR 351 Cb 0.00 -1.03 -0.08 0.00 -0.63 0.00 0.00 39.34 37.61 3h3v n TYR 351 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3h3v h ALA 352 N 1.34 -0.84 -0.59 2.98 0.00 -1.45 -0.64 119.26 120.06 3h3v h ALA 352 Ca 0.73 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.64 3h3v h ALA 352 Cb 2.33 0.65 -0.12 0.00 0.00 0.00 0.00 17.79 20.66 3h3v h ALA 352 CO -0.40 -1.02 -0.22 0.87 0.00 0.00 0.00 179.25 178.47 3h3v h LYS 353 N -0.76 -0.07 0.13 0.00 1.57 -0.25 -1.25 116.57 115.94 3h3v h LYS 353 Ca -0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h3v h LYS 353 Cb 0.72 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 3h3v h LYS 353 CO -0.15 -0.05 -0.28 -0.44 -0.57 0.00 0.00 179.45 177.96 3h3v h ASP 354 N -0.08 -0.82 -0.95 0.86 3.32 -1.40 0.90 116.42 118.25 3h3v h ASP 354 Ca 0.27 0.08 0.27 0.00 0.02 0.00 0.00 57.03 57.68 3h3v h ASP 354 Cb 0.50 0.30 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 3h3v h ASP 354 CO -0.64 -0.32 0.77 0.40 -1.72 0.00 0.00 179.24 177.73 3h3v h ILE 355 N -0.45 0.37 0.12 0.35 2.04 -0.63 0.49 117.51 119.80 3h3v h ILE 355 Ca -0.01 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.63 3h3v h ILE 355 Cb 0.43 0.44 0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3h3v h ILE 355 CO -0.12 0.00 -1.06 -0.07 0.00 0.00 0.00 178.15 176.90 3h3v h LEU 356 N 0.00 0.40 0.00 1.44 3.38 -0.15 -0.77 115.31 119.60 3h3v h LEU 356 Ca 0.45 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3h3v h LEU 356 Cb 1.99 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.61 3h3v h LEU 356 CO -0.00 1.48 -0.32 1.56 0.09 0.00 0.00 178.44 181.25 3h3v h GLN 357 N -0.39 0.00 -0.00 1.13 4.20 0.31 -3.24 115.11 117.13 3h3v h GLN 357 Ca -0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.49 3h3v h GLN 357 Cb 1.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.44 3h3v h GLN 357 CO 0.09 0.00 -0.00 1.63 -0.67 0.00 0.00 178.83 179.88 3h3v n LYS 358 N -2.81 6.72 -0.01 1.46 5.02 0.05 -4.03 118.16 124.57 3h3v n LYS 358 Ca 0.03 -0.02 -0.02 0.00 -2.02 0.00 0.00 58.31 56.28 3h3v n LYS 358 Cb 0.52 -0.52 -0.01 0.00 -0.02 0.00 0.00 35.03 34.99 3h3v n LYS 358 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3h3v n GLU 359 N -0.97 0.06 -2.26 1.97 -0.58 -0.99 -4.77 120.64 113.10 3h3v n GLU 359 Ca 0.00 0.02 -0.43 0.00 -0.42 0.00 0.00 57.16 56.33 3h3v n GLU 359 Cb 0.00 -0.94 -0.02 0.00 -0.57 0.00 0.00 31.44 29.90 3h3v n GLU 359 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3h3v s PHE 360 N -2.05 2.54 -1.63 -0.32 5.36 -0.33 -3.39 117.98 118.16 3h3v s PHE 360 Ca -0.04 0.70 -0.12 0.00 -0.96 0.00 0.00 56.93 56.51 3h3v s PHE 360 Cb 0.01 -3.66 0.11 0.00 -0.34 0.00 0.00 43.02 39.14 3h3v s PHE 360 CO 0.06 -2.52 0.59 -0.11 -1.46 0.00 0.00 175.22 171.78 3h3v n LEU 361 N 6.70 -1.68 0.14 6.12 7.94 -1.26 -4.75 117.00 130.22 3h3v n LEU 361 Ca 0.15 -1.06 0.13 0.00 -1.11 0.00 0.00 56.01 54.12 3h3v n LEU 361 Cb 0.44 -2.02 0.32 0.00 0.53 0.00 0.00 43.42 42.68 3h3v n LEU 361 CO 0.58 0.33 1.12 1.55 -1.11 0.00 0.00 177.39 179.86 3h3v h PRO 362 N -1.56 0.00 0.00 1.96 0.13 -1.85 -3.37 132.00 127.30 3h3v h PRO 362 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 3h3v h PRO 362 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3h3v h PRO 362 CO 0.75 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.13 3h3v n HIS 363 N -2.89 -0.39 0.00 1.56 1.44 -1.26 -3.82 115.22 109.85 3h3v n HIS 363 Ca 0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 3h3v n HIS 363 Cb 1.05 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.16 3h3v n HIS 363 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3h3v n ILE 364 N -0.30 0.00 0.00 0.61 5.41 -1.26 -4.52 119.36 119.30 3h3v n ILE 364 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3h3v n ILE 364 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3h3v n ILE 364 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3h3v n THR 365 N 0.00 0.00 0.46 1.39 -1.04 -1.25 -5.00 114.28 108.84 3h3v n THR 365 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 3h3v n THR 365 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 3h3v n THR 365 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h3v n GLN 366 N -0.61 1.59 0.00 -2.82 6.02 -1.26 -4.80 117.38 115.50 3h3v n GLN 366 Ca 0.00 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 56.21 3h3v n GLN 366 Cb 0.00 -1.13 0.00 0.00 1.02 0.00 0.00 30.24 30.13 3h3v n GLN 366 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3h3v n LEU 367 N 0.02 0.00 0.00 1.08 4.77 -1.26 -4.44 117.00 117.16 3h3v n LEU 367 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3h3v n LEU 367 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3h3v n LEU 367 CO 0.11 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.38 3h3v n GLU 368 N 0.00 0.00 0.00 3.23 2.13 -1.26 -4.96 120.64 119.78 3h3v n GLU 368 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3h3v n GLU 368 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3h3v n GLU 368 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h3v n GLY 369 N 0.00 0.66 0.85 8.31 0.00 -1.26 -3.69 105.19 110.05 3h3v n GLY 369 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3h3v n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h3v n PHE 370 N 2.47 0.00 -0.37 1.61 3.01 -1.26 -4.84 117.46 118.09 3h3v n PHE 370 Ca 0.00 -0.65 0.34 0.00 1.01 0.00 0.00 57.45 58.15 3h3v n PHE 370 Cb 0.00 -0.15 0.70 0.00 -0.01 0.00 0.00 39.48 40.02 3h3v n PHE 370 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3h3v h GLU 371 N 0.60 0.09 -0.05 -1.08 3.07 -1.90 0.32 114.58 115.63 3h3v h GLU 371 Ca -0.09 -0.01 -0.21 0.00 -0.50 0.00 0.00 59.36 58.56 3h3v h GLU 371 Cb 1.45 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.34 3h3v h GLU 371 CO 0.04 0.06 -0.84 0.66 -1.40 0.00 0.00 179.01 177.53 3h3v h SER 372 N 0.09 0.58 0.16 1.42 4.64 -1.89 -2.10 113.55 116.46 3h3v h SER 372 Ca 0.63 -0.42 -0.12 0.00 -0.47 0.00 0.00 61.79 61.41 3h3v h SER 372 Cb 2.27 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 64.17 3h3v h SER 372 CO -0.10 1.19 -0.43 0.03 -0.87 0.00 0.00 176.83 176.65 3h3v h ARG 373 N 0.29 0.34 0.00 4.77 3.08 -0.71 -2.02 114.38 120.13 3h3v h ARG 373 Ca -0.06 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3h3v h ARG 373 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.50 3h3v h ARG 373 CO 0.15 0.71 -0.43 0.87 -1.07 0.00 0.00 179.97 180.19 3h3v h LYS 374 N 0.28 0.00 -0.04 0.04 1.57 -1.52 -3.19 116.57 113.71 3h3v h LYS 374 Ca 0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3h3v h LYS 374 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3h3v h LYS 374 CO 0.07 0.00 -0.16 0.00 -0.57 0.00 0.00 179.45 178.79 3h3v h ALA 375 N 2.21 0.07 0.00 3.86 0.00 -0.97 -2.08 119.26 122.35 3h3v h ALA 375 Ca 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3h3v h ALA 375 Cb 0.89 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3h3v h ALA 375 CO 0.00 0.01 -0.23 0.74 0.00 0.00 0.00 179.25 179.77 3h3v h PHE 376 N -0.38 0.00 0.12 0.00 -1.00 -1.47 -1.61 116.94 112.60 3h3v h PHE 376 Ca -0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3h3v h PHE 376 Cb 0.80 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.36 3h3v h PHE 376 CO 0.14 0.23 -0.06 0.35 -1.61 0.00 0.00 178.31 177.36 3h3v h PHE 377 N 0.00 -0.15 -1.00 -0.55 3.57 -1.56 0.50 116.94 117.75 3h3v h PHE 377 Ca -0.00 -0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.73 3h3v h PHE 377 Cb 0.53 0.05 -0.09 0.00 2.79 0.00 0.00 35.95 39.23 3h3v h PHE 377 CO 0.00 0.34 0.64 1.25 -2.23 0.00 0.00 178.31 178.31 3h3v h LEU 378 N -0.84 0.50 -0.02 0.59 5.85 -1.22 0.45 115.31 120.62 3h3v h LEU 378 Ca -0.02 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3h3v h LEU 378 Cb 0.55 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3h3v h LEU 378 CO 0.03 0.14 -0.23 1.23 -0.34 0.00 0.00 178.44 179.27 3h3v h GLY 379 N 0.47 0.22 1.08 3.75 0.00 -1.24 -2.25 103.07 105.09 3h3v h GLY 379 Ca 0.56 -0.33 0.06 0.00 0.00 0.00 0.00 47.33 47.62 3h3v h GLY 379 CO -0.28 0.30 0.40 -1.82 0.00 0.00 0.00 176.54 175.14 3h3v h TYR 380 N -0.41 0.00 0.00 5.60 3.20 0.42 0.10 116.97 125.88 3h3v h TYR 380 Ca -0.02 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 3h3v h TYR 380 Cb 0.93 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 3h3v h TYR 380 CO 0.16 0.00 -0.34 0.52 -1.64 0.00 0.00 178.16 176.86 3h3v h MET 381 N 0.00 0.00 -0.80 1.82 2.86 -0.34 -2.90 114.93 115.57 3h3v h MET 381 Ca 0.10 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.97 3h3v h MET 381 Cb 0.90 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 3h3v h MET 381 CO -0.00 0.43 0.69 0.82 1.06 0.00 0.00 176.91 179.90 3h3v h ILE 382 N -1.00 0.38 0.00 -1.22 2.04 -0.53 -0.06 117.51 117.11 3h3v h ILE 382 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3h3v h ILE 382 Cb 0.60 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3h3v h ILE 382 CO -0.04 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 174.91 3h3v n ASN 383 N -3.90 0.00 -0.24 1.72 5.15 0.21 -2.79 115.26 115.41 3h3v n ASN 383 Ca 0.16 0.75 0.11 0.00 -0.60 0.00 0.00 54.58 55.00 3h3v n ASN 383 Cb 0.97 -0.45 0.21 0.00 -0.53 0.00 0.00 39.78 39.98 3h3v n ASN 383 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3h3v n ARG 384 N -1.85 -0.06 0.25 1.20 5.12 -0.17 0.60 116.66 121.76 3h3v n ARG 384 Ca 0.00 1.04 -0.16 0.00 -1.93 0.00 0.00 57.85 56.80 3h3v n ARG 384 Cb 0.00 -1.66 -0.09 0.00 -1.16 0.00 0.00 32.46 29.55 3h3v n ARG 384 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3h3v h LEU 385 N 0.00 -1.27 -0.78 0.55 5.85 -1.24 -2.53 115.31 115.90 3h3v h LEU 385 Ca 0.43 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 59.18 3h3v h LEU 385 Cb 0.90 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 3h3v h LEU 385 CO -0.65 -0.59 0.05 -0.07 -0.34 0.00 0.00 178.44 176.83 3h3v h LEU 386 N -0.89 0.94 -1.28 2.25 3.38 -0.09 0.60 115.31 120.22 3h3v h LEU 386 Ca -0.05 -0.23 0.20 0.00 0.09 0.00 0.00 57.88 57.89 3h3v h LEU 386 Cb 0.78 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3h3v h LEU 386 CO -0.08 0.97 0.93 -0.07 0.09 0.00 0.00 178.44 180.28 3h3v h LEU 387 N 0.91 0.00 0.00 1.67 4.07 0.53 -0.88 115.31 121.61 3h3v h LEU 387 Ca 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.10 3h3v h LEU 387 Cb 0.47 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 3h3v h LEU 387 CO 0.02 0.00 -1.06 0.00 -1.08 0.00 0.00 178.44 176.32 3h3v n ALA 389 N -4.37 0.00 -2.08 0.00 0.00 0.11 0.23 120.51 114.40 3h3v n ALA 389 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.00 3h3v n ALA 389 Cb 0.52 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.99 3h3v n ALA 389 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h3v n LEU 390 N -1.81 5.46 -3.72 0.00 4.77 -0.63 -4.97 117.00 116.09 3h3v n LEU 390 Ca 0.00 -4.86 -0.16 0.00 -0.03 0.00 0.00 56.01 50.96 3h3v n LEU 390 Cb 0.75 -0.53 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3h3v n LEU 390 CO 0.00 2.04 -0.07 0.47 -1.33 0.00 0.00 177.39 178.50 3h3v n ASP 391 N -0.64 -1.51 -0.02 -1.43 9.92 0.64 -4.78 116.55 118.71 3h3v n ASP 391 Ca 0.46 -0.46 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 3h3v n ASP 391 Cb 0.75 -0.57 -0.02 0.00 -0.64 0.00 0.00 41.12 40.64 3h3v n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3h3v n ARG 392 N -2.26 0.36 -4.43 -1.24 1.74 -1.17 -5.03 116.66 104.63 3h3v n ARG 392 Ca -0.05 0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 56.83 3h3v n ARG 392 Cb 0.21 -1.09 -0.16 0.00 -1.02 0.00 0.00 32.46 30.39 3h3v n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h3v s LYS 393 N -2.09 1.34 1.00 5.56 -0.14 -0.84 -4.99 119.74 119.57 3h3v s LYS 393 Ca -0.06 -0.30 -0.17 0.00 -1.36 0.00 0.00 55.97 54.08 3h3v s LYS 393 Cb 0.02 -1.16 -0.07 0.00 -1.68 0.00 0.00 37.83 34.93 3h3v s LYS 393 CO 0.11 -0.00 -0.43 -0.25 -0.76 0.00 0.00 175.35 174.01 3h3v n ASP 394 N 3.85 -4.00 -4.76 2.83 8.00 -1.26 -4.48 116.55 116.73 3h3v n ASP 394 Ca -0.24 0.17 -0.39 0.00 0.71 0.00 0.00 54.79 55.04 3h3v n ASP 394 Cb 0.52 -0.89 -0.04 0.00 -0.02 0.00 0.00 41.12 40.68 3h3v n ASP 394 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3h3v s GLN 395 N -2.68 4.52 0.10 -1.24 0.74 -1.26 -4.91 119.66 114.93 3h3v s GLN 395 Ca 0.47 1.71 -0.32 0.00 0.05 0.00 0.00 55.36 57.27 3h3v s GLN 395 Cb -0.15 -3.02 -0.11 0.00 1.10 0.00 0.00 33.01 30.83 3h3v s GLN 395 CO 0.74 0.13 1.80 -0.25 -0.55 0.00 0.00 175.29 177.17 3h3v n ASP 396 N 0.87 3.82 -4.71 6.67 8.00 -0.01 -4.93 116.55 126.27 3h3v n ASP 396 Ca 0.00 1.00 -0.42 0.00 0.71 0.00 0.00 54.79 56.08 3h3v n ASP 396 Cb 0.46 -1.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.03 3h3v n ASP 396 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3h3v s ASP 397 N 2.61 6.97 0.22 -2.24 -1.08 -1.26 -4.86 116.67 117.04 3h3v s ASP 397 Ca 0.83 2.10 0.26 0.00 -0.52 0.00 0.00 52.55 55.21 3h3v s ASP 397 Cb -0.54 -2.58 0.85 0.00 -1.46 0.00 0.00 42.92 39.19 3h3v s ASP 397 CO 0.39 -0.57 1.76 0.54 0.52 0.00 0.00 175.17 177.82 3h3v n ARG 398 N 4.26 0.25 -1.92 4.34 1.74 -1.26 -3.97 116.66 120.09 3h3v n ARG 398 Ca 0.10 0.27 -0.26 0.00 -0.77 0.00 0.00 57.85 57.19 3h3v n ARG 398 Cb 0.45 -1.83 0.03 0.00 -1.02 0.00 0.00 32.46 30.09 3h3v n ARG 398 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3h3v n ASP 399 N -2.27 5.39 -2.43 0.55 8.00 -1.26 -4.80 116.55 119.72 3h3v n ASP 399 Ca 0.05 -3.76 -0.23 0.00 0.71 0.00 0.00 54.79 51.56 3h3v n ASP 399 Cb 0.39 -0.45 -0.09 0.00 -0.02 0.00 0.00 41.12 40.94 3h3v n ASP 399 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3h3v n HIS 400 N -0.73 1.16 0.00 1.24 -0.00 -1.25 -4.78 115.22 110.85 3h3v n HIS 400 Ca 0.47 -1.91 0.00 0.00 0.46 0.00 0.00 57.72 56.74 3h3v n HIS 400 Cb 0.90 -1.54 0.00 0.00 -0.12 0.00 0.00 29.99 29.24 3h3v n HIS 400 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3h3v n PHE 401 N 1.61 0.00 0.00 1.57 7.35 -1.26 -1.75 117.46 124.98 3h3v n PHE 401 Ca 0.49 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 3h3v n PHE 401 Cb 0.64 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.47 3h3v n PHE 401 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3h3v n GLY 402 N 0.00 -0.11 0.98 7.13 0.00 -1.26 0.23 105.19 112.17 3h3v n GLY 402 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3h3v n GLY 402 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h3v n LYS 403 N -0.97 2.69 -4.54 1.61 5.02 -0.72 -4.65 118.16 116.60 3h3v n LYS 403 Ca 0.00 -2.30 -0.29 0.00 -2.02 0.00 0.00 58.31 53.69 3h3v n LYS 403 Cb 0.13 -1.42 -0.17 0.00 -0.02 0.00 0.00 35.03 33.55 3h3v n LYS 403 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3h3v s LYS 404 N -1.04 2.40 -0.12 1.97 1.02 0.63 -0.44 119.74 124.16 3h3v s LYS 404 Ca 0.35 -0.63 -0.07 0.00 0.02 0.00 0.00 55.97 55.64 3h3v s LYS 404 Cb 0.19 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.45 3h3v s LYS 404 CO 0.25 -0.04 0.13 1.03 -0.92 0.00 0.00 175.35 175.80 3h3v s ARG 405 N 0.91 3.42 -0.71 1.68 1.81 0.58 -4.70 118.95 121.95 3h3v s ARG 405 Ca -0.07 -0.15 -0.14 0.00 -1.72 0.00 0.00 55.73 53.65 3h3v s ARG 405 Cb -0.15 -3.17 0.18 0.00 -0.45 0.00 0.00 34.95 31.36 3h3v s ARG 405 CO -0.01 0.76 0.64 -0.51 -0.68 0.00 0.00 175.30 175.50 3h3v s LEU 406 N -0.99 6.43 0.47 2.53 1.43 -1.12 -2.03 118.68 125.40 3h3v s LEU 406 Ca 0.15 -2.38 -0.23 0.00 -1.03 0.00 0.00 54.13 50.63 3h3v s LEU 406 Cb -0.12 -2.17 -0.09 0.00 0.03 0.00 0.00 46.19 43.84 3h3v s LEU 406 CO 0.04 -0.65 1.11 0.47 0.23 0.00 0.00 176.35 177.54 3h3v n ASP 407 N 4.38 1.66 -4.48 2.29 8.00 -0.83 -4.71 116.55 122.85 3h3v n ASP 407 Ca 0.04 1.00 -0.27 0.00 0.71 0.00 0.00 54.79 56.26 3h3v n ASP 407 Cb 0.44 -1.42 -0.09 0.00 -0.02 0.00 0.00 41.12 40.02 3h3v n ASP 407 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3h3v s LEU 408 N -1.45 2.29 0.20 0.64 2.96 -1.26 -1.95 118.68 120.10 3h3v s LEU 408 Ca 0.66 -1.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.00 3h3v s LEU 408 Cb -0.50 -0.50 0.41 0.00 0.50 0.00 0.00 46.19 46.10 3h3v s LEU 408 CO 0.54 -0.75 1.03 0.00 -1.32 0.00 0.00 176.35 175.86 3h3v n ALA 409 N -0.98 0.25 -0.30 5.97 0.00 -1.26 -1.96 120.51 122.23 3h3v n ALA 409 Ca -0.09 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3h3v n ALA 409 Cb 0.66 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3h3v n ALA 409 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3v n GLY 410 N -1.37 -2.72 0.55 0.00 0.00 -1.26 -2.43 105.19 97.96 3h3v n GLY 410 Ca 0.13 0.11 0.41 0.00 0.00 0.00 0.00 46.02 46.68 3h3v n GLY 410 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h3v h PRO 411 N 0.00 0.06 -0.19 1.61 0.11 -1.67 0.24 132.00 132.16 3h3v h PRO 411 Ca 0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3h3v h PRO 411 Cb 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3h3v h PRO 411 CO 0.00 0.04 0.01 -0.07 -0.21 0.00 0.00 178.00 177.77 3h3v h LEU 412 N 0.06 0.32 -1.47 2.35 3.38 -1.34 -0.73 115.31 117.89 3h3v h LEU 412 Ca 0.81 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 58.46 3h3v h LEU 412 Cb 2.85 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 43.49 3h3v h LEU 412 CO -0.23 0.54 0.07 -0.07 0.09 0.00 0.00 178.44 178.84 3h3v h LEU 413 N 0.10 0.39 -0.12 1.67 3.38 -0.21 -1.73 115.31 118.78 3h3v h LEU 413 Ca 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3h3v h LEU 413 Cb 0.37 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3h3v h LEU 413 CO 0.01 0.39 0.08 0.00 0.09 0.00 0.00 178.44 179.01 3h3v h ALA 414 N 1.66 0.15 0.00 1.53 0.00 -0.60 0.16 119.26 122.16 3h3v h ALA 414 Ca 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3h3v h ALA 414 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3h3v h ALA 414 CO -0.00 -0.37 -0.04 0.37 0.00 0.00 0.00 179.25 179.21 3h3v h GLN 415 N 0.16 -0.07 0.56 0.00 4.15 -0.30 0.51 115.11 120.11 3h3v h GLN 415 Ca 0.04 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 3h3v h GLN 415 Cb -0.01 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 3h3v h GLN 415 CO -0.01 -0.05 -0.34 -0.07 -1.93 0.00 0.00 178.83 176.43 3h3v h LEU 416 N -0.08 -0.86 -1.13 -2.39 3.38 -1.22 0.14 115.31 113.16 3h3v h LEU 416 Ca 0.02 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.20 3h3v h LEU 416 Cb 0.10 0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 3h3v h LEU 416 CO -0.04 -0.54 0.61 0.15 0.09 0.00 0.00 178.44 178.71 3h3v h PHE 417 N -0.85 0.97 -0.25 1.13 3.57 -0.59 0.47 116.94 121.40 3h3v h PHE 417 Ca -0.07 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.32 3h3v h PHE 417 Cb 0.69 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 3h3v h PHE 417 CO -0.10 0.30 -0.41 -0.22 -2.23 0.00 0.00 178.31 175.65 3h3v h LYS 418 N 0.77 0.71 0.00 1.11 3.64 -0.52 0.52 116.57 122.80 3h3v h LYS 418 Ca 0.52 -0.44 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 3h3v h LYS 418 Cb 0.79 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3h3v h LYS 418 CO -0.29 1.06 -0.36 1.15 -2.27 0.00 0.00 179.45 178.74 3h3v h THR 419 N 0.44 0.89 0.04 1.00 2.02 0.61 -3.13 112.91 114.78 3h3v h THR 419 Ca 0.02 -1.46 -0.19 0.00 0.77 0.00 0.00 66.41 65.55 3h3v h THR 419 Cb 1.01 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 3h3v h THR 419 CO 0.09 0.36 -1.01 -0.07 0.37 0.00 0.00 175.52 175.26 3h3v h LEU 420 N 0.00 0.12 -1.12 2.58 3.38 0.03 -3.24 115.31 117.07 3h3v h LEU 420 Ca -0.00 -0.74 0.15 0.00 0.09 0.00 0.00 57.88 57.38 3h3v h LEU 420 Cb 0.86 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.48 3h3v h LEU 420 CO 0.05 1.42 0.61 0.15 0.09 0.00 0.00 178.44 180.75 3h3v h PHE 421 N -0.77 1.00 -0.17 1.13 3.57 -0.03 0.16 116.94 121.82 3h3v h PHE 421 Ca -0.25 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.14 3h3v h PHE 421 Cb 1.38 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 3h3v h PHE 421 CO 0.15 0.33 -0.46 0.87 -2.23 0.00 0.00 178.31 176.97 3h3v h LYS 422 N 0.81 0.44 -0.01 1.11 1.57 -1.71 0.20 116.57 118.98 3h3v h LYS 422 Ca 0.51 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.94 3h3v h LYS 422 Cb 0.72 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3h3v h LYS 422 CO -0.28 0.82 -0.49 -0.22 -0.57 0.00 0.00 179.45 178.71 3h3v h LYS 423 N 0.36 0.03 0.02 3.15 3.64 -0.83 -0.90 116.57 122.03 3h3v h LYS 423 Ca 0.02 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 59.14 3h3v h LYS 423 Cb 0.95 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.79 3h3v h LYS 423 CO 0.08 0.51 -0.99 1.25 -2.27 0.00 0.00 179.45 178.03 3h3v h LEU 424 N 0.02 0.83 0.19 5.20 5.85 -0.50 -3.31 115.31 123.60 3h3v h LEU 424 Ca -0.00 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 57.96 3h3v h LEU 424 Cb 0.88 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3h3v h LEU 424 CO 0.07 1.49 -0.19 0.74 -0.34 0.00 0.00 178.44 180.20 3h3v h THR 425 N 0.27 0.57 -0.48 1.05 2.02 -0.33 -0.90 112.91 115.11 3h3v h THR 425 Ca -0.13 0.00 -0.72 0.00 0.77 0.00 0.00 66.41 66.33 3h3v h THR 425 Cb 1.66 0.57 -0.07 0.00 -1.74 0.00 0.00 68.15 68.58 3h3v h THR 425 CO 0.19 0.00 2.89 2.29 0.37 0.00 0.00 175.52 181.27 3h3v n LYS 426 N -5.32 3.37 0.00 6.66 2.85 -0.37 -0.63 118.16 124.72 3h3v n LYS 426 Ca -0.08 -2.87 0.00 0.00 -1.05 0.00 0.00 58.31 54.31 3h3v n LYS 426 Cb 0.23 -3.05 0.00 0.00 -0.65 0.00 0.00 35.03 31.57 3h3v n LYS 426 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3h3v n ASP 427 N 4.65 0.00 -0.35 -5.58 -0.08 -1.08 -4.81 116.55 109.31 3h3v n ASP 427 Ca 0.54 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.84 3h3v n ASP 427 Cb 0.34 0.03 0.16 0.00 2.34 0.00 0.00 41.12 43.99 3h3v n ASP 427 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3h3v h ILE 428 N 0.00 1.09 -0.79 5.18 2.04 0.57 0.14 117.51 125.74 3h3v h ILE 428 Ca 0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3h3v h ILE 428 Cb 0.00 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 35.91 3h3v h ILE 428 CO 0.00 0.20 0.50 0.15 0.00 0.00 0.00 178.15 179.00 3h3v h PHE 429 N 1.12 1.02 0.00 1.37 3.57 -1.66 -2.40 116.94 119.95 3h3v h PHE 429 Ca 0.40 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.91 3h3v h PHE 429 Cb 0.14 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.54 3h3v h PHE 429 CO -0.01 0.67 0.00 0.54 -2.23 0.00 0.00 178.31 177.27 3h3v n ARG 430 N -4.50 0.34 0.00 1.11 1.74 0.49 -0.61 116.66 115.23 3h3v n ARG 430 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3h3v n ARG 430 Cb 0.04 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 3h3v n ARG 430 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3h3v n TYR 431 N 0.18 0.00 1.38 -1.55 9.36 -0.91 -4.57 117.16 121.05 3h3v n TYR 431 Ca 0.00 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.34 3h3v n TYR 431 Cb 0.07 0.00 0.46 0.00 -0.63 0.00 0.00 39.34 39.24 3h3v n TYR 431 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3h3v n MET 432 N -1.44 1.66 -0.59 2.98 2.81 0.13 -3.10 117.12 119.57 3h3v n MET 432 Ca 0.00 -0.98 0.06 0.00 -1.81 0.00 0.00 57.70 54.97 3h3v n MET 432 Cb 0.30 -1.43 0.20 0.00 -0.71 0.00 0.00 33.22 31.58 3h3v n MET 432 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3h3v n GLN 433 N 0.20 1.55 0.00 0.03 6.02 0.22 -4.58 117.38 120.81 3h3v n GLN 433 Ca 0.17 -3.25 0.00 0.00 -0.01 0.00 0.00 57.00 53.91 3h3v n GLN 433 Cb 0.33 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.00 3h3v n GLN 433 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3h3v n ARG 434 N -1.11 0.63 -2.10 -1.09 1.74 -1.23 -4.97 116.66 108.53 3h3v n ARG 434 Ca 0.19 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.98 3h3v n ARG 434 Cb 0.70 -0.05 -0.05 0.00 -1.02 0.00 0.00 32.46 32.03 3h3v n ARG 434 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3h3v s THR 435 N 0.00 3.53 0.00 0.55 2.01 -1.18 -4.77 115.64 115.79 3h3v s THR 435 Ca 0.00 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.35 3h3v s THR 435 Cb 0.00 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.20 3h3v s THR 435 CO 0.00 -1.06 1.51 0.52 -0.69 0.00 0.00 174.62 174.91 3h3v n VAL 436 N 7.74 1.51 0.00 3.82 0.31 -1.26 -5.07 118.33 125.38 3h3v n VAL 436 Ca 0.42 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 3h3v n VAL 436 Cb 0.47 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 3h3v n VAL 436 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3h3v n GLU 437 N 1.07 0.00 0.00 5.55 1.02 -1.26 -5.30 120.64 121.73 3h3v n GLU 437 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3h3v n GLU 437 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 3h3v n GLU 437 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 3h3v n LEU 446 N -0.61 0.00 0.00 -4.62 -0.00 -1.26 -5.25 117.00 105.26 3h3v n LEU 446 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3h3v n LEU 446 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3h3v n LEU 446 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 3h3v n ALA 447 N 0.00 0.00 -1.45 1.47 0.00 -1.26 -4.88 120.51 114.39 3h3v n ALA 447 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3h3v n ALA 447 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3h3v n ALA 447 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3h3v n ILE 448 N 0.00 0.00 -1.30 0.00 5.41 -1.26 -4.80 119.36 117.41 3h3v n ILE 448 Ca 0.00 -0.13 -0.41 0.00 1.00 0.00 0.00 62.75 63.21 3h3v n ILE 448 Cb 0.00 -1.53 -0.06 0.00 -0.71 0.00 0.00 39.64 37.34 3h3v n ILE 448 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3h3v n ASN 449 N 16.48 2.61 0.00 4.38 5.15 -1.26 -4.71 115.26 137.91 3h3v n ASN 449 Ca 0.32 -2.68 0.00 0.00 -0.60 0.00 0.00 54.58 51.62 3h3v n ASN 449 Cb 0.47 -1.21 0.00 0.00 -0.53 0.00 0.00 39.78 38.51 3h3v n ASN 449 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h3v n ALA 450 N 8.57 0.97 1.47 5.20 0.00 -1.26 -0.59 120.51 134.88 3h3v n ALA 450 Ca 0.49 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.07 3h3v n ALA 450 Cb 0.41 -0.65 0.60 0.00 0.00 0.00 0.00 19.45 19.81 3h3v n ALA 450 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3h3v n LYS 451 N -0.74 0.95 0.10 0.00 4.81 -1.26 -2.31 118.16 119.71 3h3v n LYS 451 Ca 0.00 -0.40 -0.24 0.00 -0.87 0.00 0.00 58.31 56.81 3h3v n LYS 451 Cb 0.00 -1.49 -0.15 0.00 0.02 0.00 0.00 35.03 33.41 3h3v n LYS 451 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3h3v h THR 452 N 0.97 1.10 0.03 3.15 2.02 -1.25 -3.08 112.91 115.86 3h3v h THR 452 Ca 0.00 -2.59 -0.19 0.00 0.77 0.00 0.00 66.41 64.40 3h3v h THR 452 Cb 0.37 2.90 0.02 0.00 -1.74 0.00 0.00 68.15 69.69 3h3v h THR 452 CO 0.00 0.83 -0.77 0.40 0.37 0.00 0.00 175.52 176.35 3h3v h ILE 453 N 0.09 1.40 -0.93 3.11 2.04 -1.79 -2.44 117.51 119.00 3h3v h ILE 453 Ca -0.30 -2.21 0.06 0.00 1.00 0.00 0.00 64.86 63.41 3h3v h ILE 453 Cb 2.11 2.65 -0.06 0.00 -0.74 0.00 0.00 36.82 40.78 3h3v h ILE 453 CO 0.22 0.65 0.60 0.74 0.00 0.00 0.00 178.15 180.36 3h3v h THR 454 N -0.02 1.09 0.02 -0.27 2.02 -1.71 -2.63 112.91 111.41 3h3v h THR 454 Ca -0.11 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 3h3v h THR 454 Cb 1.48 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3h3v h THR 454 CO 0.15 0.20 -0.01 0.77 0.37 0.00 0.00 175.52 177.00 3h3v h SER 455 N 1.08 -0.03 -0.23 4.18 4.64 -1.60 -3.11 113.55 118.49 3h3v h SER 455 Ca 0.39 -0.71 0.06 0.00 -0.47 0.00 0.00 61.79 61.06 3h3v h SER 455 Cb 0.16 0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.18 3h3v h SER 455 CO -0.14 0.74 -0.37 1.23 -0.87 0.00 0.00 176.83 177.41 3h3v h GLY 456 N -0.83 -0.51 0.20 -0.77 0.00 -1.36 -0.36 103.07 99.44 3h3v h GLY 456 Ca -0.00 0.46 0.12 0.00 0.00 0.00 0.00 47.33 47.91 3h3v h GLY 456 CO 0.01 -0.21 0.23 1.41 0.00 0.00 0.00 176.54 177.97 3h3v h LEU 457 N -0.39 0.17 0.17 3.11 3.38 -1.62 -2.10 115.31 118.04 3h3v h LEU 457 Ca 0.11 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3h3v h LEU 457 Cb 0.58 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3h3v h LEU 457 CO -0.44 0.08 -0.17 0.11 0.09 0.00 0.00 178.44 178.11 3h3v h LYS 458 N 0.37 -0.33 -0.84 1.13 1.57 -1.13 -2.41 116.57 114.94 3h3v h LYS 458 Ca 0.36 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.31 3h3v h LYS 458 Cb 0.53 0.08 -0.15 0.00 0.08 0.00 0.00 32.23 32.76 3h3v h LYS 458 CO -0.39 -0.22 -0.28 0.98 -0.57 0.00 0.00 179.45 178.98 3h3v n TYR 459 N -3.36 0.15 0.00 -1.35 9.36 -0.27 -2.15 117.16 119.54 3h3v n TYR 459 Ca -0.04 1.03 0.00 0.00 3.32 0.00 0.00 57.90 62.21 3h3v n TYR 459 Cb 0.16 -0.89 0.00 0.00 -0.63 0.00 0.00 39.34 37.98 3h3v n TYR 459 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3h3v n ALA 460 N -3.62 0.00 -0.25 2.98 0.00 -0.82 -2.55 120.51 116.25 3h3v n ALA 460 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.52 3h3v n ALA 460 Cb 0.37 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 3h3v n ALA 460 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h3v n LEU 461 N -0.60 1.65 0.00 0.00 4.32 -0.91 -1.52 117.00 119.93 3h3v n LEU 461 Ca 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 56.01 54.87 3h3v n LEU 461 Cb 0.00 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.39 3h3v n LEU 461 CO 0.00 0.24 0.00 0.00 -1.22 0.00 0.00 177.39 176.41 3h3v n ALA 462 N 2.47 0.00 0.02 -1.18 0.00 -1.03 -4.75 120.51 116.04 3h3v n ALA 462 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3h3v n ALA 462 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 3h3v n ALA 462 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h3v n THR 463 N 0.00 0.26 0.00 0.00 -2.24 -0.58 -5.05 114.28 106.67 3h3v n THR 463 Ca 0.00 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 3h3v n THR 463 Cb 0.00 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 3h3v n THR 463 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h3v n GLY 464 N 2.90 1.19 3.56 3.38 0.00 -1.15 -4.73 105.19 110.34 3h3v n GLY 464 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 3h3v n GLY 464 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h3v s ASN 465 N 0.00 4.09 0.00 1.61 0.02 -1.26 -3.67 114.94 115.73 3h3v s ASN 465 Ca 0.00 0.29 0.00 0.00 -1.02 0.00 0.00 52.86 52.13 3h3v s ASN 465 Cb 0.00 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.73 3h3v s ASN 465 CO 0.00 -3.56 0.33 1.87 0.02 0.00 0.00 177.10 175.76 3h3v n TRP 466 N 17.71 0.00 -1.53 2.20 -0.00 -0.95 -4.45 117.44 130.42 3h3v n TRP 466 Ca 0.44 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.74 3h3v n TRP 466 Cb 0.46 0.00 -0.14 0.00 -0.00 0.00 0.00 31.31 31.64 3h3v n TRP 466 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3h3v n GLY 467 N -0.31 -0.30 7.00 5.87 0.00 -1.26 -4.73 105.19 111.46 3h3v n GLY 467 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3h3v n GLY 467 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h3v n GLU 468 N 7.41 0.00 0.00 1.61 1.02 -1.26 -4.21 120.64 125.21 3h3v n GLU 468 Ca 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 3h3v n GLU 468 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 3h3v n GLU 468 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3h3v n GLN 469 N 14.00 0.00 0.00 3.49 6.02 -1.26 -4.85 117.38 134.78 3h3v n GLN 469 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3h3v n GLN 469 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3h3v n GLN 469 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3h3v n LYS 470 N 0.00 0.00 -0.80 -1.09 5.02 -1.26 -4.36 118.16 115.67 3h3v n LYS 470 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 3h3v n LYS 470 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.89 3h3v n LYS 470 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3h3v n LYS 471 N 0.00 0.02 0.00 1.97 5.02 -1.26 -4.79 118.16 119.12 3h3v n LYS 471 Ca 0.00 -1.15 0.00 0.00 -2.02 0.00 0.00 58.31 55.14 3h3v n LYS 471 Cb 0.00 -2.83 0.00 0.00 -0.02 0.00 0.00 35.03 32.18 3h3v n LYS 471 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h3v n ALA 472 N 11.71 0.00 -1.25 7.82 0.00 -1.26 -4.82 120.51 132.70 3h3v n ALA 472 Ca 0.44 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.63 3h3v n ALA 472 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3h3v n ALA 472 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3h3v n MET 473 N -1.84 2.21 0.00 0.00 2.81 -1.26 -4.62 117.12 114.43 3h3v n MET 473 Ca 0.00 -2.21 0.00 0.00 -1.81 0.00 0.00 57.70 53.68 3h3v n MET 473 Cb 0.00 -1.95 0.00 0.00 -0.71 0.00 0.00 33.22 30.56 3h3v n MET 473 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3h3v n SER 474 N 0.36 0.00 0.00 7.83 3.41 -1.26 -4.59 113.62 119.37 3h3v n SER 474 Ca 0.43 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 3h3v n SER 474 Cb 0.55 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3h3v n SER 474 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h3v n SER 475 N -1.07 0.94 -3.88 4.04 3.41 -1.26 -4.67 113.62 111.13 3h3v n SER 475 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 3h3v n SER 475 Cb 0.06 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.84 3h3v n SER 475 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3h3v s ARG 476 N 1.51 1.34 -0.06 4.33 0.52 -1.26 -4.89 118.95 120.43 3h3v s ARG 476 Ca 0.00 -0.20 -0.13 0.00 -0.52 0.00 0.00 55.73 54.88 3h3v s ARG 476 Cb 0.00 -1.49 -0.05 0.00 0.52 0.00 0.00 34.95 33.93 3h3v s ARG 476 CO 0.00 -0.28 0.33 0.00 0.02 0.00 0.00 175.30 175.37 3h3v s ALA 477 N 1.76 3.71 0.00 2.13 0.00 -1.26 -2.25 121.76 125.85 3h3v s ALA 477 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3h3v s ALA 477 Cb -0.13 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.69 3h3v s ALA 477 CO -0.08 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.51 3h3v n GLY 478 N 2.24 4.15 3.52 0.00 0.00 -1.24 -4.96 105.19 108.90 3h3v n GLY 478 Ca -0.15 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 3h3v n GLY 478 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h3v n VAL 479 N 0.00 0.00 -2.60 1.61 0.31 -1.26 -4.49 118.33 111.90 3h3v n VAL 479 Ca 0.00 -0.24 -0.04 0.00 -0.01 0.00 0.00 64.34 64.06 3h3v n VAL 479 Cb 0.00 -0.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.99 3h3v n VAL 479 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3h3v n SER 480 N -3.92 -3.09 0.00 4.52 2.88 -1.03 -4.04 113.62 108.95 3h3v n SER 480 Ca 0.07 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 59.00 3h3v n SER 480 Cb 0.54 -4.61 0.00 0.00 -0.75 0.00 0.00 64.21 59.39 3h3v n SER 480 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h3v n GLN 481 N 1.88 1.32 -3.73 -1.46 6.02 -0.26 -4.36 117.38 116.78 3h3v n GLN 481 Ca -0.27 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.44 3h3v n GLN 481 Cb 0.42 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.52 3h3v n GLN 481 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3h3v s VAL 482 N 3.75 0.56 -0.22 5.09 1.01 -1.26 -3.46 120.40 125.86 3h3v s VAL 482 Ca 0.00 -0.65 -0.41 0.00 0.00 0.00 0.00 61.98 60.93 3h3v s VAL 482 Cb 0.00 -1.10 -0.17 0.00 0.00 0.00 0.00 36.38 35.11 3h3v s VAL 482 CO 0.00 -0.26 1.57 -0.11 0.00 0.00 0.00 175.10 176.30 3h3v n LEU 483 N 5.03 1.78 -4.56 3.92 7.94 -0.54 -4.81 117.00 125.76 3h3v n LEU 483 Ca -0.08 1.11 -0.39 0.00 -1.11 0.00 0.00 56.01 55.54 3h3v n LEU 483 Cb 0.46 -1.08 -0.03 0.00 0.53 0.00 0.00 43.42 43.31 3h3v n LEU 483 CO 0.13 -0.77 1.69 0.20 -1.11 0.00 0.00 177.39 177.52 3h3v s ASN 484 N 2.49 5.19 -0.63 1.96 -0.87 -1.26 -4.86 114.94 116.96 3h3v s ASN 484 Ca 0.96 0.67 -0.02 0.00 -1.57 0.00 0.00 52.86 52.90 3h3v s ASN 484 Cb -1.15 -2.52 0.32 0.00 -0.02 0.00 0.00 41.25 37.88 3h3v s ASN 484 CO 0.64 -2.37 2.15 0.54 -2.57 0.00 0.00 177.10 175.49 3h3v n ARG 485 N 9.02 2.52 -0.02 -0.60 3.00 -1.26 -3.07 116.66 126.26 3h3v n ARG 485 Ca 0.24 -2.93 -0.00 0.00 -0.01 0.00 0.00 57.85 55.15 3h3v n ARG 485 Cb 0.52 -2.15 -0.00 0.00 0.00 0.00 0.00 32.46 30.83 3h3v n ARG 485 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 3h3v h TYR 486 N 2.37 -0.01 -3.96 -1.55 0.99 -1.92 -3.44 116.97 109.44 3h3v h TYR 486 Ca 0.51 -0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.93 3h3v h TYR 486 Cb 0.57 0.00 -0.22 0.00 1.00 0.00 0.00 36.73 38.09 3h3v h TYR 486 CO 1.26 -0.01 -0.75 0.99 -0.00 0.00 0.00 178.16 179.66 3h3v s THR 487 N -1.26 0.69 0.11 -2.88 2.01 -1.26 -4.17 115.64 108.88 3h3v s THR 487 Ca -0.00 -1.10 -0.28 0.00 0.31 0.00 0.00 61.69 60.61 3h3v s THR 487 Cb 0.00 -0.72 -0.10 0.00 0.01 0.00 0.00 72.50 71.69 3h3v s THR 487 CO 0.00 -0.31 1.47 0.22 -0.69 0.00 0.00 174.62 175.31 3h3v h TYR 488 N 4.52 -1.45 -0.99 4.92 3.20 -1.74 0.42 116.97 125.85 3h3v h TYR 488 Ca -0.37 0.07 0.34 0.00 3.14 0.00 0.00 58.73 61.91 3h3v h TYR 488 Cb 1.20 0.67 -0.18 0.00 1.54 0.00 0.00 36.73 39.96 3h3v h TYR 488 CO 0.63 -0.43 0.30 0.66 -1.64 0.00 0.00 178.16 177.68 3h3v h SER 489 N -0.37 -0.03 0.22 -2.11 4.64 -1.85 -0.48 113.55 113.57 3h3v h SER 489 Ca 0.06 0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 3h3v h SER 489 Cb 0.52 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3h3v h SER 489 CO -0.48 -0.36 -0.10 -1.28 -0.87 0.00 0.00 176.83 173.73 3h3v h SER 490 N 0.04 -0.24 -0.83 4.97 0.87 -0.54 -2.71 113.55 115.10 3h3v h SER 490 Ca 0.71 0.01 0.34 0.00 -1.23 0.00 0.00 61.79 61.63 3h3v h SER 490 Cb 1.70 0.06 -0.14 0.00 -0.44 0.00 0.00 62.40 63.58 3h3v h SER 490 CO -0.82 -0.16 0.46 0.41 -0.53 0.00 0.00 176.83 176.19 3h3v n THR 491 N -2.84 -0.33 0.15 2.23 -1.04 -0.06 -0.17 114.28 112.21 3h3v n THR 491 Ca -0.04 1.63 -0.06 0.00 -2.04 0.00 0.00 64.05 63.55 3h3v n THR 491 Cb 0.11 -2.65 -0.03 0.00 -1.82 0.00 0.00 70.33 65.94 3h3v n THR 491 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3h3v h LEU 492 N 0.00 -0.32 -0.98 -4.42 3.38 -1.30 -2.95 115.31 108.71 3h3v h LEU 492 Ca 0.69 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.96 3h3v h LEU 492 Cb 1.85 0.08 -0.18 0.00 0.09 0.00 0.00 40.66 42.51 3h3v h LEU 492 CO -0.61 -0.20 0.11 -1.28 0.09 0.00 0.00 178.44 176.56 3h3v h SER 493 N -0.45 -0.34 -0.45 -0.43 0.87 -0.24 0.91 113.55 113.44 3h3v h SER 493 Ca -0.04 0.27 0.04 0.00 -1.23 0.00 0.00 61.79 60.84 3h3v h SER 493 Cb 0.29 0.44 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 3h3v h SER 493 CO 0.06 -0.36 0.30 -0.74 -0.53 0.00 0.00 176.83 175.56 3h3v h HIS 494 N 0.02 0.43 -0.09 2.24 -0.00 -1.24 -2.30 115.15 114.20 3h3v h HIS 494 Ca 0.63 0.01 -0.23 0.00 -0.00 0.00 0.00 60.37 60.79 3h3v h HIS 494 Cb 1.38 -0.14 0.01 0.00 -0.00 0.00 0.00 27.41 28.66 3h3v h HIS 494 CO -0.41 0.24 -0.85 -0.07 -0.00 0.00 0.00 177.93 176.84 3h3v h LEU 495 N 0.44 0.82 -3.88 0.26 3.38 0.10 -3.19 115.31 113.24 3h3v h LEU 495 Ca 0.19 -0.57 -0.40 0.00 0.09 0.00 0.00 57.88 57.19 3h3v h LEU 495 Cb 0.19 -0.24 -0.16 0.00 0.09 0.00 0.00 40.66 40.54 3h3v h LEU 495 CO -0.05 1.36 0.41 0.54 0.09 0.00 0.00 178.44 180.80 3h3v n ARG 496 N -3.88 2.05 -4.51 1.13 1.74 -0.87 -4.88 116.66 107.44 3h3v n ARG 496 Ca -0.08 -1.90 -0.34 0.00 -0.77 0.00 0.00 57.85 54.76 3h3v n ARG 496 Cb 0.78 -1.84 -0.11 0.00 -1.02 0.00 0.00 32.46 30.27 3h3v n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3h3v s ARG 497 N -1.81 3.06 -0.05 5.56 3.52 -1.17 -2.79 118.95 125.26 3h3v s ARG 497 Ca 0.43 -0.51 0.04 0.00 -0.13 0.00 0.00 55.73 55.56 3h3v s ARG 497 Cb 0.30 -2.73 -0.02 0.00 -1.56 0.00 0.00 34.95 30.94 3h3v s ARG 497 CO -0.08 0.56 -0.16 -0.08 -0.81 0.00 0.00 175.30 174.72 3h3v s THR 498 N -0.50 2.88 0.14 4.11 -1.32 0.35 -2.17 115.64 119.12 3h3v s THR 498 Ca 0.08 -0.79 0.09 0.00 -1.21 0.00 0.00 61.69 59.86 3h3v s THR 498 Cb -0.12 -2.11 -0.04 0.00 -1.51 0.00 0.00 72.50 68.72 3h3v s THR 498 CO 0.02 0.59 -0.18 0.21 -2.21 0.00 0.00 174.62 173.05 3h3v s ASN 499 N -0.66 3.86 -0.06 8.08 2.47 -0.14 -0.09 114.94 128.40 3h3v s ASN 499 Ca 0.10 -0.62 -0.00 0.00 0.42 0.00 0.00 52.86 52.77 3h3v s ASN 499 Cb -0.11 -0.52 0.02 0.00 -1.45 0.00 0.00 41.25 39.20 3h3v s ASN 499 CO 0.00 0.16 -0.03 -0.89 -3.72 0.00 0.00 177.10 172.63 3h3v s THR 500 N -1.31 0.48 0.99 -5.21 2.01 -1.01 -1.60 115.64 109.99 3h3v s THR 500 Ca 0.19 -0.02 -0.15 0.00 0.31 0.00 0.00 61.69 62.02 3h3v s THR 500 Cb -0.10 -0.56 0.19 0.00 0.01 0.00 0.00 72.50 72.04 3h3v s THR 500 CO 0.11 0.24 1.19 -2.16 -0.69 0.00 0.00 174.62 173.31 3h3v s PRO 501 N 1.38 0.45 0.00 4.92 0.04 -1.26 -4.87 135.00 135.66 3h3v s PRO 501 Ca -0.04 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 60.98 3h3v s PRO 501 Cb -0.13 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3h3v s PRO 501 CO -0.03 -2.60 0.00 0.44 0.04 0.00 0.00 177.00 174.85 3h3v n ILE 502 N -3.99 0.00 0.00 0.56 -6.64 -1.26 -5.09 119.36 102.94 3h3v n ILE 502 Ca 0.11 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.09 3h3v n ILE 502 Cb 0.59 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.79 3h3v n ILE 502 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3h3v n LYS 507 N 0.00 0.00 -2.67 6.28 5.02 -1.26 -5.27 118.16 120.25 3h3v n LYS 507 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 3h3v n LYS 507 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 3h3v n LYS 507 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3h3v s LEU 508 N 0.00 3.31 0.00 -0.35 2.96 -1.26 -4.89 118.68 118.46 3h3v s LEU 508 Ca 0.00 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.99 3h3v s LEU 508 Cb 0.00 -2.95 0.00 0.00 0.50 0.00 0.00 46.19 43.74 3h3v s LEU 508 CO 0.00 -1.09 0.00 0.00 -1.32 0.00 0.00 176.35 173.94 3h3v n ALA 509 N -2.33 0.00 -0.34 5.97 0.00 -1.26 -4.89 120.51 117.66 3h3v n ALA 509 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3h3v n ALA 509 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3h3v n ALA 509 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3h3v n LYS 510 N 0.00 0.00 0.00 0.00 2.85 -1.26 -3.68 118.16 116.07 3h3v n LYS 510 Ca 0.00 0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 3h3v n LYS 510 Cb 0.00 -0.27 0.00 0.00 -0.65 0.00 0.00 35.03 34.11 3h3v n LYS 510 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3h3v n PRO 511 N -0.39 0.00 -0.29 -1.58 -0.02 -1.26 -1.87 135.00 129.58 3h3v n PRO 511 Ca 0.00 0.02 0.01 0.00 -2.02 0.00 0.00 63.50 61.51 3h3v n PRO 511 Cb 0.00 -0.03 0.08 0.00 -0.02 0.00 0.00 33.50 33.53 3h3v n PRO 511 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h3v h ARG 512 N 0.00 -0.03 -6.24 -0.52 3.08 -1.74 -3.44 114.38 105.49 3h3v h ARG 512 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3h3v h ARG 512 Cb 0.00 0.01 0.20 0.00 0.08 0.00 0.00 29.97 30.25 3h3v h ARG 512 CO 0.00 -0.02 -1.04 1.04 -1.07 0.00 0.00 179.97 178.88 3h3v n GLN 513 N -5.51 0.11 -2.98 0.04 3.00 -0.78 -4.63 117.38 106.63 3h3v n GLN 513 Ca 0.10 0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.72 3h3v n GLN 513 Cb 0.41 -1.30 -0.05 0.00 0.00 0.00 0.00 30.24 29.29 3h3v n GLN 513 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3h3v s LEU 514 N 3.79 4.19 0.43 1.08 2.96 -1.26 -5.04 118.68 124.83 3h3v s LEU 514 Ca 0.56 0.15 -0.10 0.00 -0.22 0.00 0.00 54.13 54.51 3h3v s LEU 514 Cb -0.37 -2.97 -0.06 0.00 0.50 0.00 0.00 46.19 43.28 3h3v s LEU 514 CO 0.67 -0.79 0.79 -2.28 -1.32 0.00 0.00 176.35 173.42 3h3v s HIS 515 N 3.14 3.48 0.09 5.38 5.65 -1.26 -4.98 115.29 126.80 3h3v s HIS 515 Ca 0.30 1.06 -0.26 0.00 0.25 0.00 0.00 55.06 56.40 3h3v s HIS 515 Cb -0.13 -2.46 -0.13 0.00 -1.18 0.00 0.00 32.58 28.68 3h3v s HIS 515 CO 0.19 -0.16 1.68 -0.91 -0.65 0.00 0.00 174.74 174.89 3h3v h ASN 516 N 1.08 -0.40 0.00 9.88 -0.26 -1.96 0.54 115.58 124.45 3h3v h ASN 516 Ca -0.47 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.30 3h3v h ASN 516 Cb 1.19 0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.58 3h3v h ASN 516 CO 0.63 -0.24 0.06 0.35 -1.06 0.00 0.00 177.43 177.17 3h3v n THR 517 N -5.28 0.97 0.17 2.81 -2.24 -1.26 0.46 114.28 109.92 3h3v n THR 517 Ca -0.08 0.31 0.09 0.00 -2.27 0.00 0.00 64.05 62.10 3h3v n THR 517 Cb 0.20 -1.31 0.10 0.00 -2.10 0.00 0.00 70.33 67.22 3h3v n THR 517 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3h3v h HIS 518 N 0.00 0.00 -1.76 4.78 3.86 -1.23 -3.44 115.15 117.36 3h3v h HIS 518 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 3h3v h HIS 518 Cb 0.13 0.00 0.08 0.00 1.06 0.00 0.00 27.41 28.68 3h3v h HIS 518 CO 0.00 0.12 0.11 1.87 0.86 0.00 0.00 177.93 180.90 3h3v n TRP 519 N -3.04 0.96 0.00 2.45 -0.00 0.17 -1.74 117.44 116.24 3h3v n TRP 519 Ca 0.02 0.77 0.00 0.00 -0.00 0.00 0.00 57.50 58.29 3h3v n TRP 519 Cb 0.59 -2.21 0.00 0.00 -0.00 0.00 0.00 31.31 29.69 3h3v n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3h3v n GLY 520 N 1.86 1.15 0.20 5.87 0.00 -1.26 -4.61 105.19 108.41 3h3v n GLY 520 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 3h3v n GLY 520 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h3v h LEU 521 N 0.00 0.77 -8.80 0.99 3.38 -1.81 -3.39 115.31 106.46 3h3v h LEU 521 Ca 0.00 -0.59 -0.61 0.00 0.09 0.00 0.00 57.88 56.78 3h3v h LEU 521 Cb 0.00 -0.23 -0.21 0.00 0.09 0.00 0.00 40.66 40.31 3h3v h LEU 521 CO 0.00 1.22 -0.84 -0.69 0.09 0.00 0.00 178.44 178.23 3h3v s VAL 522 N -3.91 1.97 0.41 1.22 1.01 -0.71 -1.39 120.40 119.00 3h3v s VAL 522 Ca -0.12 -1.70 -0.24 0.00 0.00 0.00 0.00 61.98 59.92 3h3v s VAL 522 Cb 0.08 -1.79 -0.08 0.00 0.00 0.00 0.00 36.38 34.58 3h3v s VAL 522 CO 0.85 -0.04 1.11 0.00 0.00 0.00 0.00 175.10 177.02 3h3v h PRO 524 N 2.43 0.33 0.14 0.00 0.13 -1.89 -3.43 132.00 129.72 3h3v h PRO 524 Ca -0.49 -0.56 -0.31 0.00 -0.87 0.00 0.00 66.00 63.78 3h3v h PRO 524 Cb 1.23 0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.57 3h3v h PRO 524 CO 0.62 1.27 -1.57 0.00 -0.23 0.00 0.00 178.00 178.09 3h3v h ALA 525 N 0.04 0.19 -1.68 -0.56 0.00 -1.93 -3.46 119.26 111.87 3h3v h ALA 525 Ca -0.33 -1.13 -0.55 0.00 0.00 0.00 0.00 54.91 52.90 3h3v h ALA 525 Cb 1.95 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 20.19 3h3v h ALA 525 CO 0.12 0.92 1.19 -2.00 0.00 0.00 0.00 179.25 179.49 3h3v s GLU 526 N -2.52 3.22 -0.14 0.00 2.12 -1.26 -4.07 118.70 116.06 3h3v s GLU 526 Ca -0.19 0.83 -0.29 0.00 0.36 0.00 0.00 54.97 55.68 3h3v s GLU 526 Cb 0.05 -4.18 0.08 0.00 0.26 0.00 0.00 34.13 30.34 3h3v s GLU 526 CO 0.79 -2.01 0.75 -0.08 -0.54 0.00 0.00 175.26 174.17 3h3v s THR 527 N 6.79 0.00 0.16 -1.70 -1.32 -1.26 -4.35 115.64 113.95 3h3v s THR 527 Ca 0.64 0.00 -0.32 0.00 -1.21 0.00 0.00 61.69 60.80 3h3v s THR 527 Cb -0.15 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.73 3h3v s THR 527 CO 0.28 0.00 1.76 -0.81 -2.21 0.00 0.00 174.62 173.64 3h3v n PRO 528 N 1.51 2.70 -2.29 7.08 -0.04 -1.26 -4.93 135.00 137.76 3h3v n PRO 528 Ca -0.16 0.98 -0.42 0.00 -0.04 0.00 0.00 63.50 63.86 3h3v n PRO 528 Cb 0.56 -2.84 -0.03 0.00 -0.04 0.00 0.00 33.50 31.16 3h3v n PRO 528 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3h3v s GLU 529 N 1.89 4.37 2.16 0.54 2.02 -1.26 -3.87 118.70 124.55 3h3v s GLU 529 Ca 0.79 1.92 0.00 0.00 0.02 0.00 0.00 54.97 57.70 3h3v s GLU 529 Cb -0.52 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.41 3h3v s GLU 529 CO 0.36 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.70 3h3v n GLY 530 N 3.36 -0.67 5.31 -1.39 0.00 -1.26 -4.83 105.19 105.72 3h3v n GLY 530 Ca 0.10 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3h3v n GLY 530 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3v n GLN 531 N -0.43 0.00 -1.54 1.61 10.64 -1.26 -0.84 117.38 125.56 3h3v n GLN 531 Ca 0.00 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.86 3h3v n GLN 531 Cb 0.00 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.33 3h3v n GLN 531 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3h3v n ALA 532 N 6.82 6.79 -2.67 2.61 0.00 -1.26 -4.95 120.51 127.86 3h3v n ALA 532 Ca 0.00 -3.29 -0.42 0.00 0.00 0.00 0.00 53.44 49.73 3h3v n ALA 532 Cb 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 19.45 16.78 3h3v n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h3v n GLY 534 N 3.39 0.75 0.12 0.00 0.00 -1.26 -4.72 105.19 103.47 3h3v n GLY 534 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 3h3v n GLY 534 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h3v n LEU 535 N 0.00 2.32 -4.63 0.99 4.77 -1.22 -4.29 117.00 114.93 3h3v n LEU 535 Ca 0.00 -0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.58 3h3v n LEU 535 Cb 0.00 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.34 3h3v n LEU 535 CO 0.00 0.82 0.21 -0.69 -1.33 0.00 0.00 177.39 176.40 3h3v s VAL 536 N -2.53 5.10 0.16 4.08 1.01 -1.25 -2.41 120.40 124.57 3h3v s VAL 536 Ca -0.26 0.85 0.07 0.00 0.00 0.00 0.00 61.98 62.64 3h3v s VAL 536 Cb 0.08 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3h3v s VAL 536 CO 0.69 0.13 -0.15 -0.54 0.00 0.00 0.00 175.10 175.23 3h3v s LYS 537 N 2.00 1.17 -0.13 2.72 1.02 0.87 -4.53 119.74 122.87 3h3v s LYS 537 Ca 0.21 -1.40 0.03 0.00 0.02 0.00 0.00 55.97 54.82 3h3v s LYS 537 Cb -0.15 -1.03 0.01 0.00 -0.52 0.00 0.00 37.83 36.13 3h3v s LYS 537 CO 0.09 0.19 -0.22 -0.80 -0.92 0.00 0.00 175.35 173.69 3h3v s ASN 538 N -2.83 3.15 0.48 2.83 0.01 -1.26 0.13 114.94 117.44 3h3v s ASN 538 Ca 0.15 -0.58 -0.23 0.00 -0.71 0.00 0.00 52.86 51.49 3h3v s ASN 538 Cb -0.03 -1.45 -0.07 0.00 0.41 0.00 0.00 41.25 40.12 3h3v s ASN 538 CO 0.05 0.10 1.20 -0.76 -1.51 0.00 0.00 177.10 176.17 3h3v s LEU 539 N 0.70 3.98 1.40 0.60 1.02 -1.12 0.27 118.68 125.54 3h3v s LEU 539 Ca -0.10 2.39 -0.23 0.00 0.02 0.00 0.00 54.13 56.21 3h3v s LEU 539 Cb -0.16 -4.25 0.36 0.00 0.02 0.00 0.00 46.19 42.16 3h3v s LEU 539 CO 0.01 -1.03 0.97 -0.44 0.02 0.00 0.00 176.35 175.87 3h3v s SER 540 N -1.29 -0.85 -0.08 2.29 0.01 -0.49 -4.38 113.70 108.91 3h3v s SER 540 Ca 0.65 0.71 -0.22 0.00 1.31 0.00 0.00 55.95 58.40 3h3v s SER 540 Cb -0.31 -0.97 -0.18 0.00 0.21 0.00 0.00 66.02 64.78 3h3v s SER 540 CO 0.37 -5.22 0.79 -0.07 0.41 0.00 0.00 173.24 169.52 3h3v h LEU 541 N -3.33 -0.08 -0.65 2.44 3.38 -1.57 -3.34 115.31 112.17 3h3v h LEU 541 Ca -0.41 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.03 3h3v h LEU 541 Cb 1.33 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 3h3v h LEU 541 CO 0.26 0.60 0.42 0.24 0.09 0.00 0.00 178.44 180.05 3h3v h MET 542 N -0.87 0.86 -5.24 1.13 2.86 -1.88 -3.46 114.93 108.34 3h3v h MET 542 Ca -0.01 -0.06 -0.49 0.00 -2.06 0.00 0.00 59.70 57.08 3h3v h MET 542 Cb 0.61 -0.19 0.20 0.00 0.06 0.00 0.00 31.60 32.28 3h3v h MET 542 CO 0.02 0.58 -1.49 -1.13 1.06 0.00 0.00 176.91 175.95 3h3v n SER 543 N -4.62 -4.81 -3.61 1.22 3.41 -1.26 -4.63 113.62 99.33 3h3v n SER 543 Ca 0.05 0.25 -0.13 0.00 -0.26 0.00 0.00 58.87 58.78 3h3v n SER 543 Cb 0.03 -0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 63.23 3h3v n SER 543 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h3v s ILE 545 N -0.04 4.67 0.29 0.00 1.01 -1.26 0.34 121.20 126.21 3h3v s ILE 545 Ca -0.01 1.23 -0.28 0.00 0.00 0.00 0.00 60.65 61.59 3h3v s ILE 545 Cb -0.04 -3.90 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 3h3v s ILE 545 CO 0.01 0.43 0.96 -0.94 0.00 0.00 0.00 174.94 175.39 3h3v s SER 546 N -1.33 7.42 -0.19 3.58 1.04 0.81 -4.92 113.70 120.12 3h3v s SER 546 Ca 0.34 1.93 0.11 0.00 0.48 0.00 0.00 55.95 58.82 3h3v s SER 546 Cb -0.19 -2.60 -0.23 0.00 0.10 0.00 0.00 66.02 63.11 3h3v s SER 546 CO 0.20 -0.01 0.11 0.55 0.98 0.00 0.00 173.24 175.07 3h3v n VAL 547 N 0.95 1.48 0.00 5.02 3.14 -1.26 -2.17 118.33 125.48 3h3v n VAL 547 Ca 0.00 -0.76 0.00 0.00 -2.96 0.00 0.00 64.34 60.62 3h3v n VAL 547 Cb 0.48 -0.89 0.00 0.00 -1.06 0.00 0.00 33.84 32.38 3h3v n VAL 547 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3h3v n GLY 548 N 1.87 2.50 0.00 7.55 0.00 -1.26 -4.32 105.19 111.52 3h3v n GLY 548 Ca -0.34 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3h3v n GLY 548 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3h3v n THR 549 N 1.73 0.00 -4.92 2.61 -1.04 -1.11 -4.95 114.28 106.60 3h3v n THR 549 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 3h3v n THR 549 Cb 0.00 -0.08 -0.13 0.00 -1.82 0.00 0.00 70.33 68.30 3h3v n THR 549 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3h3v s ASP 550 N 0.54 3.86 0.03 8.00 -1.08 -1.26 -4.98 116.67 121.77 3h3v s ASP 550 Ca 0.00 -0.27 -0.20 0.00 -0.52 0.00 0.00 52.55 51.57 3h3v s ASP 550 Cb 0.00 -0.74 -0.18 0.00 -1.46 0.00 0.00 42.92 40.54 3h3v s ASP 550 CO 0.00 0.33 1.24 1.55 0.52 0.00 0.00 175.17 178.81 3h3v h PRO 551 N 5.24 0.41 -0.72 4.34 0.13 -2.00 -3.40 132.00 136.00 3h3v h PRO 551 Ca -0.46 -0.30 0.12 0.00 -0.87 0.00 0.00 66.00 64.49 3h3v h PRO 551 Cb 1.15 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 3h3v h PRO 551 CO 0.49 0.93 -0.33 0.52 -0.23 0.00 0.00 178.00 179.38 3h3v h MET 552 N -0.02 -0.10 0.00 0.86 2.86 -1.97 0.48 114.93 117.04 3h3v h MET 552 Ca -0.01 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3h3v h MET 552 Cb 0.96 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.64 3h3v h MET 552 CO 0.07 -0.06 0.10 -0.35 1.06 0.00 0.00 176.91 177.73 3h3v n PRO 553 N -5.45 0.06 -0.02 -0.22 -0.04 -1.26 0.14 135.00 128.21 3h3v n PRO 553 Ca 0.07 0.52 0.02 0.00 -0.04 0.00 0.00 63.50 64.07 3h3v n PRO 553 Cb 0.37 -1.81 -0.07 0.00 -0.04 0.00 0.00 33.50 31.95 3h3v n PRO 553 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3h3v n ILE 554 N -1.82 0.19 -0.03 0.52 5.41 0.30 -3.04 119.36 120.89 3h3v n ILE 554 Ca -0.01 -0.26 -0.13 0.00 1.00 0.00 0.00 62.75 63.35 3h3v n ILE 554 Cb 0.11 -0.05 -0.10 0.00 -0.71 0.00 0.00 39.64 38.89 3h3v n ILE 554 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3h3v h ILE 555 N 0.00 1.48 0.83 1.39 2.04 0.24 -2.37 117.51 121.12 3h3v h ILE 555 Ca -0.07 -1.46 -0.04 0.00 1.00 0.00 0.00 64.86 64.28 3h3v h ILE 555 Cb 0.78 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 3h3v h ILE 555 CO 0.00 0.38 -0.46 0.74 0.00 0.00 0.00 178.15 178.82 3h3v h THR 556 N -0.56 0.00 -1.27 -0.27 2.02 0.96 -2.74 112.91 111.05 3h3v h THR 556 Ca -0.00 0.00 0.37 0.00 0.77 0.00 0.00 66.41 67.55 3h3v h THR 556 Cb 0.65 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.99 3h3v h THR 556 CO 0.01 0.00 0.90 0.15 0.37 0.00 0.00 175.52 176.94 3h3v h PHE 557 N -1.20 0.13 0.32 3.16 3.57 -1.61 -2.75 116.94 118.55 3h3v h PHE 557 Ca -0.11 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 3h3v h PHE 557 Cb 0.94 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.65 3h3v h PHE 557 CO -0.05 -0.01 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.80 3h3v h LEU 558 N 0.06 -0.36 -0.90 0.59 3.38 -1.11 -3.27 115.31 113.70 3h3v h LEU 558 Ca 0.63 -0.15 0.24 0.00 0.09 0.00 0.00 57.88 58.69 3h3v h LEU 558 Cb 2.37 0.09 -0.14 0.00 0.09 0.00 0.00 40.66 43.07 3h3v h LEU 558 CO -0.08 0.10 0.34 0.77 0.09 0.00 0.00 178.44 179.67 3h3v h SER 559 N -0.98 0.20 0.00 -0.43 4.64 -1.44 0.63 113.55 116.17 3h3v h SER 559 Ca -0.04 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3h3v h SER 559 Cb 0.49 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3h3v h SER 559 CO 0.07 -0.10 0.00 -0.62 -0.87 0.00 0.00 176.83 175.31 3h3v n GLU 560 N -5.13 0.62 0.00 4.77 1.02 -1.19 -2.98 120.64 117.74 3h3v n GLU 560 Ca 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 3h3v n GLU 560 Cb 0.72 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 3h3v n GLU 560 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3h3v n TRP 561 N 0.82 0.00 0.00 -0.32 7.02 0.20 -5.04 117.44 120.12 3h3v n TRP 561 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3h3v n TRP 561 Cb 0.31 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.20 3h3v n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h3v n GLY 562 N 0.00 -0.22 3.48 6.99 0.00 -1.10 -4.94 105.19 109.40 3h3v n GLY 562 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3h3v n GLY 562 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3h3v s MET 563 N 0.00 3.08 -0.13 1.61 0.00 -1.21 -3.79 119.30 118.87 3h3v s MET 563 Ca 0.00 -0.85 -0.29 0.00 0.00 0.00 0.00 55.69 54.55 3h3v s MET 563 Cb 0.00 -3.96 -0.01 0.00 0.00 0.00 0.00 34.83 30.86 3h3v s MET 563 CO 0.00 -0.78 0.98 -1.21 0.00 0.00 0.00 175.02 174.01 3h3v s GLU 564 N 1.92 4.38 0.45 4.11 2.02 0.12 -4.57 118.70 127.13 3h3v s GLU 564 Ca 0.09 1.32 -0.24 0.00 0.02 0.00 0.00 54.97 56.16 3h3v s GLU 564 Cb -0.18 -3.56 -0.10 0.00 0.10 0.00 0.00 34.13 30.40 3h3v s GLU 564 CO 0.12 -0.34 1.04 -0.35 0.02 0.00 0.00 175.26 175.75 3h3v n PRO 565 N 5.16 1.38 -0.10 0.39 -0.04 -1.26 -1.30 135.00 139.22 3h3v n PRO 565 Ca 0.08 0.50 -0.02 0.00 -0.04 0.00 0.00 63.50 64.02 3h3v n PRO 565 Cb 0.48 -2.11 0.22 0.00 -0.04 0.00 0.00 33.50 32.05 3h3v n PRO 565 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3h3v h LEU 566 N 1.48 0.71 -0.83 1.53 5.85 -1.88 -2.86 115.31 119.31 3h3v h LEU 566 Ca -0.46 -0.12 0.17 0.00 0.84 0.00 0.00 57.88 58.31 3h3v h LEU 566 Cb 1.33 -0.19 -0.16 0.00 0.37 0.00 0.00 40.66 42.02 3h3v h LEU 566 CO 0.56 0.71 -0.19 -0.62 -0.34 0.00 0.00 178.44 178.56 3h3v n GLU 567 N -4.29 -0.07 -3.76 1.25 -0.58 -1.26 -3.14 120.64 108.79 3h3v n GLU 567 Ca 0.04 1.29 -0.36 0.00 -0.42 0.00 0.00 57.16 57.70 3h3v n GLU 567 Cb 0.22 -1.93 -0.11 0.00 -0.57 0.00 0.00 31.44 29.05 3h3v n GLU 567 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3h3v s ASP 568 N -5.20 5.23 -0.05 1.62 1.01 -1.08 -4.94 116.67 113.25 3h3v s ASP 568 Ca -0.12 -2.34 0.06 0.00 0.71 0.00 0.00 52.55 50.86 3h3v s ASP 568 Cb 0.23 -1.83 -0.01 0.00 1.01 0.00 0.00 42.92 42.31 3h3v s ASP 568 CO 0.65 -0.48 -0.25 -0.47 0.21 0.00 0.00 175.17 174.83 3h3v s TYR 569 N 0.69 2.43 -0.89 4.23 5.04 -1.19 -4.72 117.35 122.94 3h3v s TYR 569 Ca 0.11 -0.69 -0.01 0.00 -2.44 0.00 0.00 57.07 54.04 3h3v s TYR 569 Cb -0.22 -1.59 0.23 0.00 0.35 0.00 0.00 41.96 40.73 3h3v s TYR 569 CO -0.04 -0.20 0.81 1.33 -1.34 0.00 0.00 175.55 176.12 3h3v n VAL 570 N 2.89 3.05 -0.11 3.14 0.24 -1.26 -4.99 118.33 121.28 3h3v n VAL 570 Ca -0.17 -5.16 -0.00 0.00 -2.04 0.00 0.00 64.34 56.97 3h3v n VAL 570 Cb 0.52 -2.34 0.02 0.00 -1.47 0.00 0.00 33.84 30.56 3h3v n VAL 570 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3h3v n PRO 571 N 2.14 -0.06 -0.04 7.34 -0.04 -1.26 -1.06 135.00 142.02 3h3v n PRO 571 Ca 0.22 0.45 -0.16 0.00 -0.04 0.00 0.00 63.50 63.98 3h3v n PRO 571 Cb 0.37 -0.67 -0.14 0.00 -0.04 0.00 0.00 33.50 33.02 3h3v n PRO 571 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3h3v n HIS 572 N -4.43 0.81 0.20 0.54 1.44 -1.26 -3.94 115.22 108.57 3h3v n HIS 572 Ca 0.03 0.22 0.13 0.00 -2.01 0.00 0.00 57.72 56.09 3h3v n HIS 572 Cb 0.12 -1.12 0.69 0.00 0.12 0.00 0.00 29.99 29.80 3h3v n HIS 572 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 3h3v h GLN 573 N 0.03 0.00 -2.39 -1.40 4.15 -1.52 -2.69 115.11 111.29 3h3v h GLN 573 Ca -0.43 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.40 3h3v h GLN 573 Cb 2.03 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 29.33 3h3v h GLN 573 CO 0.05 0.00 -0.89 0.43 -1.93 0.00 0.00 178.83 176.49 3h3v n SER 574 N -2.40 0.83 0.10 -0.69 7.64 -0.43 -5.02 113.62 113.66 3h3v n SER 574 Ca -0.02 -2.74 -0.12 0.00 1.01 0.00 0.00 58.87 57.00 3h3v n SER 574 Cb 0.06 -0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 62.58 3h3v n SER 574 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3h3v h PRO 575 N 5.00 -0.32 -0.39 1.43 0.13 -1.60 -3.18 132.00 133.08 3h3v h PRO 575 Ca 0.19 0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 65.18 3h3v h PRO 575 Cb 0.84 0.07 -0.10 0.00 0.13 0.00 0.00 31.00 31.95 3h3v h PRO 575 CO 0.51 -0.21 0.01 -0.25 -0.23 0.00 0.00 178.00 177.83 3h3v n ASP 576 N -5.29 3.00 -4.54 1.44 8.00 -1.26 -4.97 116.55 112.93 3h3v n ASP 576 Ca -0.07 -3.55 -0.37 0.00 0.71 0.00 0.00 54.79 51.51 3h3v n ASP 576 Cb 0.21 -0.63 -0.05 0.00 -0.02 0.00 0.00 41.12 40.63 3h3v n ASP 576 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h3v n ALA 577 N -0.95 0.72 -1.71 2.24 0.00 -1.20 -4.86 120.51 114.75 3h3v n ALA 577 Ca 0.32 -0.81 -0.38 0.00 0.00 0.00 0.00 53.44 52.58 3h3v n ALA 577 Cb 1.06 -3.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 3h3v n ALA 577 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3h3v s THR 578 N 11.58 3.12 0.45 0.00 2.01 -1.17 -4.77 115.64 126.86 3h3v s THR 578 Ca 1.05 0.08 -0.23 0.00 0.31 0.00 0.00 61.69 62.90 3h3v s THR 578 Cb -0.37 -3.29 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 3h3v s THR 578 CO 0.31 -0.27 1.18 0.00 -0.69 0.00 0.00 174.62 175.15 3h3v s ARG 579 N 7.64 3.80 0.01 4.92 1.70 -1.17 -2.44 118.95 133.41 3h3v s ARG 579 Ca 0.89 1.83 0.09 0.00 -0.47 0.00 0.00 55.73 58.07 3h3v s ARG 579 Cb -0.18 -2.47 -0.02 0.00 -0.57 0.00 0.00 34.95 31.71 3h3v s ARG 579 CO 0.26 -0.53 -0.26 0.08 -1.08 0.00 0.00 175.30 173.77 3h3v s VAL 580 N -1.49 2.06 0.03 4.99 1.01 -0.73 -1.85 120.40 124.42 3h3v s VAL 580 Ca 0.62 -1.24 0.08 0.00 0.00 0.00 0.00 61.98 61.45 3h3v s VAL 580 Cb -0.30 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3h3v s VAL 580 CO 0.37 0.46 -0.24 -0.36 0.00 0.00 0.00 175.10 175.33 3h3v s PHE 581 N -0.70 2.09 -0.06 5.22 0.40 0.27 -2.59 117.98 122.61 3h3v s PHE 581 Ca 0.11 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 3h3v s PHE 581 Cb -0.10 -1.28 0.02 0.00 0.51 0.00 0.00 43.02 42.18 3h3v s PHE 581 CO 0.01 0.07 -0.06 0.08 0.70 0.00 0.00 175.22 176.01 3h3v s VAL 582 N -0.72 0.68 -0.50 -0.44 1.01 -0.84 0.20 120.40 119.78 3h3v s VAL 582 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3h3v s VAL 582 Cb -0.09 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.59 3h3v s VAL 582 CO 0.01 0.27 0.00 0.59 0.00 0.00 0.00 175.10 175.97 3h3v n ASN 583 N 4.15 -2.30 -0.51 3.32 3.02 0.14 -1.22 115.26 121.86 3h3v n ASN 583 Ca -0.22 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 3h3v n ASN 583 Cb 0.51 -2.06 0.00 0.00 -0.61 0.00 0.00 39.78 37.62 3h3v n ASN 583 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h3v n GLY 584 N -0.60 0.89 3.03 7.41 0.00 -1.26 -4.96 105.19 109.69 3h3v n GLY 584 Ca -0.07 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 3h3v n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3v s VAL 585 N -2.86 0.06 -0.55 1.61 1.01 -0.36 -4.88 120.40 114.42 3h3v s VAL 585 Ca 0.00 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 3h3v s VAL 585 Cb 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 36.38 36.14 3h3v s VAL 585 CO 0.00 -0.27 0.86 0.86 0.00 0.00 0.00 175.10 176.54 3h3v s TRP 586 N -0.89 2.85 -1.88 5.22 -0.11 -1.26 -2.00 118.94 120.87 3h3v s TRP 586 Ca -0.10 -0.24 0.18 0.00 1.22 0.00 0.00 56.10 57.16 3h3v s TRP 586 Cb -0.06 -3.96 0.54 0.00 -1.50 0.00 0.00 33.47 28.49 3h3v s TRP 586 CO 0.00 -1.30 1.44 0.72 -4.62 0.00 0.00 176.95 173.19 3h3v n HIS 587 N 7.13 0.86 0.00 5.86 8.25 -1.07 -4.82 115.22 131.43 3h3v n HIS 587 Ca -0.01 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.03 3h3v n HIS 587 Cb 0.47 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.54 3h3v n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h3v n GLY 588 N 1.38 0.38 3.25 -1.41 0.00 -1.26 -3.94 105.19 103.60 3h3v n GLY 588 Ca 0.20 -1.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 3h3v n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3v s VAL 589 N -0.85 0.01 -0.03 1.61 1.01 -0.42 -1.76 120.40 119.97 3h3v s VAL 589 Ca 0.00 -2.00 -0.12 0.00 0.00 0.00 0.00 61.98 59.86 3h3v s VAL 589 Cb 0.00 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.90 3h3v s VAL 589 CO 0.00 0.00 0.27 -2.28 0.00 0.00 0.00 175.10 173.09 3h3v s HIS 590 N -3.73 -0.15 0.00 5.22 5.04 -1.02 0.16 115.29 120.81 3h3v s HIS 590 Ca 0.40 0.25 0.00 0.00 -1.54 0.00 0.00 55.06 54.17 3h3v s HIS 590 Cb 0.04 0.06 0.00 0.00 0.04 0.00 0.00 32.58 32.73 3h3v s HIS 590 CO 0.21 -0.33 0.00 0.54 -2.34 0.00 0.00 174.74 172.82 3h3v n ARG 591 N 1.58 0.00 -2.85 2.88 5.12 -1.25 -3.05 116.66 119.09 3h3v n ARG 591 Ca -0.20 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.29 3h3v n ARG 591 Cb 0.56 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.82 3h3v n ARG 591 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3h3v s ASN 592 N -1.99 6.22 0.17 0.55 3.84 -1.26 -4.48 114.94 117.99 3h3v s ASN 592 Ca 0.00 -0.78 -0.05 0.00 0.21 0.00 0.00 52.86 52.23 3h3v s ASN 592 Cb 0.00 -2.42 0.04 0.00 -0.55 0.00 0.00 41.25 38.31 3h3v s ASN 592 CO 0.00 -1.37 1.45 1.55 -2.79 0.00 0.00 177.10 175.94 3h3v h PRO 593 N 9.49 0.61 -1.43 0.43 0.13 -1.95 -3.21 132.00 136.06 3h3v h PRO 593 Ca -0.28 -0.42 0.46 0.00 -0.87 0.00 0.00 66.00 64.89 3h3v h PRO 593 Cb 1.07 0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.15 3h3v h PRO 593 CO 1.15 1.04 0.96 0.00 -0.23 0.00 0.00 178.00 180.92 3h3v n ALA 594 N -2.54 1.40 -0.08 -0.56 0.00 -1.26 0.97 120.51 118.43 3h3v n ALA 594 Ca -0.04 0.73 -0.14 0.00 0.00 0.00 0.00 53.44 53.99 3h3v n ALA 594 Cb 0.64 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 19.02 3h3v n ALA 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h3v h ARG 595 N 0.00 0.00 -0.99 0.00 3.08 -1.99 -3.13 114.38 111.36 3h3v h ARG 595 Ca 0.82 0.00 0.25 0.00 0.07 0.00 0.00 59.98 61.12 3h3v h ARG 595 Cb 2.85 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 32.78 3h3v h ARG 595 CO -0.29 0.66 0.56 1.25 -1.07 0.00 0.00 179.97 181.08 3h3v h LEU 596 N -1.00 0.60 0.54 3.04 5.85 -0.20 -0.42 115.31 123.72 3h3v h LEU 596 Ca -0.16 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3h3v h LEU 596 Cb 0.91 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3h3v h LEU 596 CO -0.09 0.06 -0.31 -0.03 -0.34 0.00 0.00 178.44 177.73 3h3v h MET 597 N 0.53 -0.76 0.00 1.25 4.05 0.47 -1.59 114.93 118.87 3h3v h MET 597 Ca 0.64 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 60.11 3h3v h MET 597 Cb 1.24 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 32.21 3h3v h MET 597 CO -0.50 -0.51 0.40 1.49 0.23 0.00 0.00 176.91 178.02 3h3v h GLU 598 N -0.79 0.00 0.00 0.39 4.57 -1.07 -1.30 114.58 116.38 3h3v h GLU 598 Ca -0.07 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3h3v h GLU 598 Cb 0.62 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 3h3v h GLU 598 CO 0.09 0.00 -0.12 1.15 -1.18 0.00 0.00 179.01 178.95 3h3v h THR 599 N 0.00 0.08 -0.68 0.32 2.02 -0.28 -3.16 112.91 111.22 3h3v h THR 599 Ca 0.00 -1.07 0.13 0.00 0.77 0.00 0.00 66.41 66.24 3h3v h THR 599 Cb 0.79 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 3h3v h THR 599 CO 0.00 0.03 0.46 -0.07 0.37 0.00 0.00 175.52 176.30 3h3v h LEU 600 N -1.00 0.34 0.67 2.58 3.38 -0.41 -0.75 115.31 120.13 3h3v h LEU 600 Ca -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3h3v h LEU 600 Cb 0.16 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3h3v h LEU 600 CO -0.00 0.19 -0.32 0.03 0.09 0.00 0.00 178.44 178.42 3h3v h ARG 601 N 0.37 -0.87 0.00 1.13 3.08 -1.53 -1.78 114.38 114.77 3h3v h ARG 601 Ca 0.32 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.43 3h3v h ARG 601 Cb 0.76 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3h3v h ARG 601 CO -0.09 -0.58 0.00 2.41 -1.07 0.00 0.00 179.97 180.64 3h3v n THR 602 N -5.20 0.18 -0.09 2.04 -1.04 -1.02 -0.88 114.28 108.27 3h3v n THR 602 Ca -0.11 0.04 -0.21 0.00 -2.04 0.00 0.00 64.05 61.73 3h3v n THR 602 Cb 0.36 -0.89 -0.12 0.00 -1.82 0.00 0.00 70.33 67.86 3h3v n THR 602 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3h3v h LEU 603 N 0.00 0.06 0.15 -4.42 7.12 -0.82 -3.33 115.31 114.07 3h3v h LEU 603 Ca 0.00 -0.60 -0.01 0.00 0.13 0.00 0.00 57.88 57.40 3h3v h LEU 603 Cb 0.02 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 3h3v h LEU 603 CO 0.00 1.51 -0.07 -0.09 -0.13 0.00 0.00 178.44 179.66 3h3v h ARG 604 N -0.85 -0.20 0.00 1.25 2.43 -0.58 -1.62 114.38 114.81 3h3v h ARG 604 Ca -0.34 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3h3v h ARG 604 Cb 1.39 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 3h3v h ARG 604 CO -0.16 0.22 0.22 0.54 -1.51 0.00 0.00 179.97 179.29 3h3v n ARG 605 N -4.96 0.00 -0.13 0.20 1.74 -0.06 0.15 116.66 113.60 3h3v n ARG 605 Ca -0.08 0.20 -0.27 0.00 -0.77 0.00 0.00 57.85 56.93 3h3v n ARG 605 Cb 0.26 -1.72 -0.09 0.00 -1.02 0.00 0.00 32.46 29.89 3h3v n ARG 605 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3h3v n LYS 606 N -1.16 0.58 0.00 5.56 4.81 -1.17 -2.01 118.16 124.76 3h3v n LYS 606 Ca 0.00 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 3h3v n LYS 606 Cb 0.22 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.76 3h3v n LYS 606 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h3v n GLY 607 N 1.29 -0.73 0.00 3.14 0.00 0.12 -4.55 105.19 104.45 3h3v n GLY 607 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3h3v n GLY 607 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h3v n ASP 608 N 0.00 0.00 -4.73 1.61 8.00 -0.63 -4.71 116.55 116.10 3h3v n ASP 608 Ca 0.00 0.36 -0.42 0.00 0.71 0.00 0.00 54.79 55.44 3h3v n ASP 608 Cb 0.00 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.65 3h3v n ASP 608 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h3v s ILE 609 N -0.84 2.91 0.13 0.53 1.01 -1.13 -4.88 121.20 118.94 3h3v s ILE 609 Ca 0.00 0.71 -0.32 0.00 0.00 0.00 0.00 60.65 61.04 3h3v s ILE 609 Cb 0.00 -3.45 -0.12 0.00 0.01 0.00 0.00 42.46 38.90 3h3v s ILE 609 CO 0.00 0.09 1.76 -3.20 0.00 0.00 0.00 174.94 173.59 3h3v n ASN 610 N 3.12 3.78 0.32 3.58 2.85 -1.26 -3.86 115.26 123.79 3h3v n ASN 610 Ca 0.09 1.02 0.08 0.00 -0.11 0.00 0.00 54.58 55.67 3h3v n ASN 610 Cb 0.41 -1.51 0.42 0.00 1.24 0.00 0.00 39.78 40.33 3h3v n ASN 610 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3h3v h PRO 611 N 7.63 0.00 0.00 1.20 0.11 -1.90 -2.20 132.00 136.84 3h3v h PRO 611 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3h3v h PRO 611 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3h3v h PRO 611 CO 0.94 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.82 3h3v n GLU 612 N -2.72 0.00 -0.69 1.05 2.13 -1.26 -3.93 120.64 115.21 3h3v n GLU 612 Ca -0.00 0.45 -0.23 0.00 0.66 0.00 0.00 57.16 58.03 3h3v n GLU 612 Cb 0.70 -0.95 -0.01 0.00 0.27 0.00 0.00 31.44 31.45 3h3v n GLU 612 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3h3v n VAL 613 N -1.84 0.83 -4.20 6.31 0.31 -0.83 -4.91 118.33 114.00 3h3v n VAL 613 Ca 0.00 -0.25 -0.27 0.00 -0.01 0.00 0.00 64.34 63.81 3h3v n VAL 613 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 3h3v n VAL 613 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3h3v s SER 614 N -0.50 4.81 -0.18 4.52 1.04 0.46 -4.92 113.70 118.92 3h3v s SER 614 Ca 0.32 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 56.27 3h3v s SER 614 Cb -0.43 -1.04 0.06 0.00 0.10 0.00 0.00 66.02 64.71 3h3v s SER 614 CO 0.29 0.09 0.44 -0.04 0.98 0.00 0.00 173.24 175.00 3h3v s MET 615 N -2.94 0.42 -0.05 4.02 1.00 -1.25 0.12 119.30 120.62 3h3v s MET 615 Ca 0.28 0.84 -0.00 0.00 0.00 0.00 0.00 55.69 56.81 3h3v s MET 615 Cb -0.09 0.01 0.03 0.00 0.00 0.00 0.00 34.83 34.77 3h3v s MET 615 CO 0.19 -0.16 -0.01 0.42 0.00 0.00 0.00 175.02 175.45 3h3v s ILE 616 N 1.47 0.37 -0.40 2.53 1.09 -0.21 -4.84 121.20 121.20 3h3v s ILE 616 Ca -0.09 0.04 -0.19 0.00 -1.10 0.00 0.00 60.65 59.30 3h3v s ILE 616 Cb -0.08 -0.47 0.01 0.00 -1.06 0.00 0.00 42.46 40.86 3h3v s ILE 616 CO -0.13 0.22 0.57 -0.60 -0.10 0.00 0.00 174.94 174.89 3h3v s ARG 617 N 1.38 3.39 -1.10 2.79 3.52 -1.26 -2.11 118.95 125.56 3h3v s ARG 617 Ca -0.04 -0.33 -0.03 0.00 -0.13 0.00 0.00 55.73 55.19 3h3v s ARG 617 Cb -0.13 -3.90 0.28 0.00 -1.56 0.00 0.00 34.95 29.64 3h3v s ARG 617 CO -0.02 -0.85 1.76 -3.47 -0.81 0.00 0.00 175.30 171.91 3h3v n ASP 618 N 5.98 6.92 -0.35 -2.12 -0.08 0.99 -4.85 116.55 123.05 3h3v n ASP 618 Ca -0.03 -3.49 -0.09 0.00 -1.51 0.00 0.00 54.79 49.66 3h3v n ASP 618 Cb 0.48 -1.25 -0.08 0.00 2.34 0.00 0.00 41.12 42.61 3h3v n ASP 618 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 3h3v n ILE 619 N 0.88 -0.56 -0.41 5.18 5.41 -1.26 0.41 119.36 129.01 3h3v n ILE 619 Ca 0.40 2.01 0.34 0.00 1.00 0.00 0.00 62.75 66.51 3h3v n ILE 619 Cb 0.29 -2.49 0.66 0.00 -0.71 0.00 0.00 39.64 37.39 3h3v n ILE 619 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3h3v h ARG 620 N 0.00 0.14 -0.01 0.38 3.08 -1.96 1.07 114.38 117.08 3h3v h ARG 620 Ca 0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3h3v h ARG 620 Cb 0.34 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3h3v h ARG 620 CO -0.78 0.09 -0.26 -1.91 -1.07 0.00 0.00 179.97 176.05 3h3v n GLU 621 N -4.46 1.60 -3.32 0.04 4.07 0.12 -5.01 120.64 113.68 3h3v n GLU 621 Ca 0.32 -0.98 -0.17 0.00 -0.06 0.00 0.00 57.16 56.26 3h3v n GLU 621 Cb 1.29 -1.29 0.07 0.00 -0.06 0.00 0.00 31.44 31.45 3h3v n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3h3v n LYS 622 N 0.13 -2.20 -3.87 5.31 5.02 0.37 -4.97 118.16 117.94 3h3v n LYS 622 Ca 0.08 0.81 -0.11 0.00 -2.02 0.00 0.00 58.31 57.06 3h3v n LYS 622 Cb 0.36 -5.60 -0.11 0.00 -0.02 0.00 0.00 35.03 29.67 3h3v n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3h3v s GLU 623 N -4.64 0.34 -0.13 1.97 2.02 -1.10 -3.06 118.70 114.09 3h3v s GLU 623 Ca 0.45 -0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.22 3h3v s GLU 623 Cb -0.07 0.14 0.02 0.00 0.10 0.00 0.00 34.13 34.32 3h3v s GLU 623 CO 0.76 -0.07 -0.13 -1.17 0.02 0.00 0.00 175.26 174.66 3h3v s LEU 624 N -0.90 1.62 -0.19 1.80 2.96 -0.77 -0.00 118.68 123.20 3h3v s LEU 624 Ca -0.10 -0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 53.36 3h3v s LEU 624 Cb -0.06 -1.11 0.01 0.00 0.50 0.00 0.00 46.19 45.53 3h3v s LEU 624 CO 0.01 -0.05 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.29 3h3v s LYS 625 N 1.41 3.12 -0.22 1.98 1.02 -0.90 0.97 119.74 127.13 3h3v s LYS 625 Ca 0.03 -0.77 -0.04 0.00 0.02 0.00 0.00 55.97 55.21 3h3v s LYS 625 Cb -0.13 -2.69 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 3h3v s LYS 625 CO -0.08 -0.17 -0.04 0.42 -0.92 0.00 0.00 175.35 174.55 3h3v s ILE 626 N 1.26 3.39 -0.07 2.17 1.01 0.53 -1.05 121.20 128.44 3h3v s ILE 626 Ca 0.03 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.23 3h3v s ILE 626 Cb -0.14 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 3h3v s ILE 626 CO -0.08 0.41 -0.21 -0.36 0.00 0.00 0.00 174.94 174.70 3h3v s PHE 627 N 1.48 2.56 -0.17 3.97 2.99 0.32 0.24 117.98 129.38 3h3v s PHE 627 Ca 0.06 -0.68 0.18 0.00 0.00 0.00 0.00 56.93 56.49 3h3v s PHE 627 Cb -0.14 -1.66 0.45 0.00 0.00 0.00 0.00 43.02 41.67 3h3v s PHE 627 CO -0.03 -0.19 1.17 -2.37 -0.00 0.00 0.00 175.22 173.80 3h3v n THR 628 N 3.04 1.30 -2.14 0.64 5.66 -1.26 0.17 114.28 121.68 3h3v n THR 628 Ca -0.18 -2.60 -0.40 0.00 -3.05 0.00 0.00 64.05 57.83 3h3v n THR 628 Cb 0.52 0.40 -0.01 0.00 -1.55 0.00 0.00 70.33 69.69 3h3v n THR 628 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3h3v s ASP 629 N -3.04 6.56 -1.03 1.09 -1.08 -1.26 -2.75 116.67 115.16 3h3v s ASP 629 Ca 0.36 2.58 -0.19 0.00 -0.52 0.00 0.00 52.55 54.79 3h3v s ASP 629 Cb 0.37 -2.64 0.11 0.00 -1.46 0.00 0.00 42.92 39.31 3h3v s ASP 629 CO -0.08 -0.67 1.31 0.00 0.52 0.00 0.00 175.17 176.25 3h3v s ALA 630 N -1.24 3.29 0.00 3.66 0.00 -1.26 -4.14 121.76 122.07 3h3v s ALA 630 Ca 0.54 -2.74 0.00 0.00 0.00 0.00 0.00 51.96 49.75 3h3v s ALA 630 Cb -0.37 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 18.52 3h3v s ALA 630 CO 0.48 -3.14 0.00 0.41 0.00 0.00 0.00 175.76 173.51 3h3v n GLY 631 N 5.63 1.46 3.52 0.00 0.00 -0.92 -4.77 105.19 110.10 3h3v n GLY 631 Ca 0.30 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 3h3v n GLY 631 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3v n ARG 632 N 0.00 0.89 -3.82 1.61 1.74 -1.26 -2.81 116.66 113.01 3h3v n ARG 632 Ca 0.00 0.31 -0.37 0.00 -0.77 0.00 0.00 57.85 57.02 3h3v n ARG 632 Cb 0.00 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 29.78 3h3v n ARG 632 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3h3v s VAL 633 N -1.15 5.45 0.03 1.55 1.01 -1.26 -0.13 120.40 125.89 3h3v s VAL 633 Ca 0.61 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 3h3v s VAL 633 Cb -0.72 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3h3v s VAL 633 CO 0.59 0.59 -0.02 -0.72 0.00 0.00 0.00 175.10 175.54 3h3v s TYR 634 N -0.87 0.33 0.39 5.22 -0.85 0.15 -3.60 117.35 118.13 3h3v s TYR 634 Ca 0.15 -0.69 0.06 0.00 -0.52 0.00 0.00 57.07 56.07 3h3v s TYR 634 Cb -0.12 -0.24 -0.07 0.00 0.38 0.00 0.00 41.96 41.90 3h3v s TYR 634 CO 0.04 -0.27 0.03 -0.98 -1.52 0.00 0.00 175.55 172.85 3h3v s ARG 635 N -2.32 1.88 -0.15 -3.49 1.70 -1.02 0.03 118.95 115.57 3h3v s ARG 635 Ca -0.08 -2.07 -0.06 0.00 -0.47 0.00 0.00 55.73 53.05 3h3v s ARG 635 Cb -0.04 -1.37 -0.04 0.00 -0.57 0.00 0.00 34.95 32.94 3h3v s ARG 635 CO -0.04 -0.13 0.05 -1.25 -1.08 0.00 0.00 175.30 172.85 3h3v s PRO 636 N -3.78 3.68 0.09 3.89 0.04 -1.26 -1.99 135.00 135.66 3h3v s PRO 636 Ca 0.33 -0.34 0.06 0.00 0.04 0.00 0.00 61.00 61.08 3h3v s PRO 636 Cb 0.09 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.50 3h3v s PRO 636 CO 0.16 0.43 -0.15 -0.51 0.04 0.00 0.00 177.00 176.96 3h3v s LEU 637 N -0.07 2.31 0.55 -3.56 1.43 -0.76 -4.59 118.68 113.99 3h3v s LEU 637 Ca 0.06 -0.67 -0.18 0.00 -1.03 0.00 0.00 54.13 52.31 3h3v s LEU 637 Cb -0.12 -0.59 -0.05 0.00 0.03 0.00 0.00 46.19 45.45 3h3v s LEU 637 CO 0.01 -0.07 1.07 -0.36 0.23 0.00 0.00 176.35 177.24 3h3v s PHE 638 N -1.43 2.87 -0.11 0.29 2.99 0.42 -1.99 117.98 121.02 3h3v s PHE 638 Ca 0.02 1.55 -0.03 0.00 0.00 0.00 0.00 56.93 58.46 3h3v s PHE 638 Cb -0.09 -3.12 -0.03 0.00 0.00 0.00 0.00 43.02 39.78 3h3v s PHE 638 CO 0.03 -1.20 0.01 0.42 -0.00 0.00 0.00 175.22 174.48 3h3v s ILE 639 N -2.10 4.40 -0.49 0.64 1.01 -0.79 -0.18 121.20 123.68 3h3v s ILE 639 Ca 0.68 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 61.16 3h3v s ILE 639 Cb -0.19 -2.88 0.42 0.00 0.01 0.00 0.00 42.46 39.82 3h3v s ILE 639 CO 0.29 0.58 1.35 0.52 0.00 0.00 0.00 174.94 177.67 3h3v n VAL 640 N 2.47 2.70 -1.68 2.92 0.31 -0.08 0.25 118.33 125.21 3h3v n VAL 640 Ca -0.18 -4.54 -0.45 0.00 -0.01 0.00 0.00 64.34 59.16 3h3v n VAL 640 Cb 0.53 -1.23 -0.04 0.00 -0.91 0.00 0.00 33.84 32.20 3h3v n VAL 640 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3h3v n GLU 641 N -0.57 2.27 0.00 5.55 -0.58 -1.23 -3.56 120.64 122.53 3h3v n GLU 641 Ca 0.44 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 58.00 3h3v n GLU 641 Cb 0.65 -2.58 0.00 0.00 -0.57 0.00 0.00 31.44 28.95 3h3v n GLU 641 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3h3v n ASP 642 N 3.19 0.66 -0.99 1.62 5.75 -1.26 -2.30 116.55 123.21 3h3v n ASP 642 Ca 0.15 -1.43 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 3h3v n ASP 642 Cb 0.31 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 3h3v n ASP 642 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3h3v n ASP 643 N 0.09 0.00 -4.31 -1.12 8.00 -1.26 -4.54 116.55 113.41 3h3v n ASP 643 Ca 0.00 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.04 3h3v n ASP 643 Cb 0.16 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.23 3h3v n ASP 643 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3h3v s GLU 644 N 0.86 3.27 0.00 -1.24 0.41 -1.25 -4.87 118.70 115.88 3h3v s GLU 644 Ca 0.00 -2.12 0.00 0.00 -0.41 0.00 0.00 54.97 52.44 3h3v s GLU 644 Cb 0.00 -4.33 0.00 0.00 -1.78 0.00 0.00 34.13 28.02 3h3v s GLU 644 CO 0.00 -1.30 0.61 -1.13 -0.49 0.00 0.00 175.26 172.95 3h3v n SER 645 N 4.54 0.38 -2.33 -0.19 3.41 -1.26 -2.56 113.62 115.61 3h3v n SER 645 Ca 0.01 -1.60 -0.03 0.00 -0.26 0.00 0.00 58.87 56.99 3h3v n SER 645 Cb 0.43 -0.19 0.05 0.00 -0.26 0.00 0.00 64.21 64.24 3h3v n SER 645 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h3v n LEU 646 N -0.22 2.14 0.00 1.04 4.77 -1.26 -5.09 117.00 118.37 3h3v n LEU 646 Ca 0.00 -3.20 0.00 0.00 -0.03 0.00 0.00 56.01 52.78 3h3v n LEU 646 Cb 0.09 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3h3v n LEU 646 CO 0.00 1.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 3h3v n GLY 647 N -0.45 -0.13 0.00 -0.72 0.00 -1.06 -5.14 105.19 97.69 3h3v n GLY 647 Ca 0.14 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3h3v n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3h3v n HIS 648 N 2.23 0.00 -3.17 1.61 1.44 -1.26 -4.83 115.22 111.23 3h3v n HIS 648 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 3h3v n HIS 648 Cb 0.00 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.07 3h3v n HIS 648 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 3h3v s LYS 649 N 2.45 3.73 -0.27 -1.40 2.20 -1.26 -3.87 119.74 121.32 3h3v s LYS 649 Ca 0.00 0.24 -0.25 0.00 -0.36 0.00 0.00 55.97 55.60 3h3v s LYS 649 Cb 0.00 -2.55 0.12 0.00 -1.51 0.00 0.00 37.83 33.89 3h3v s LYS 649 CO 0.00 0.14 0.99 -2.00 -0.36 0.00 0.00 175.35 174.12 3h3v s GLU 650 N -3.51 0.55 -0.10 4.03 2.56 -0.97 -4.88 118.70 116.38 3h3v s GLU 650 Ca 0.48 0.62 -0.40 0.00 0.00 0.00 0.00 54.97 55.66 3h3v s GLU 650 Cb -0.11 0.27 -0.18 0.00 2.00 0.00 0.00 34.13 36.11 3h3v s GLU 650 CO 0.28 -0.07 1.36 1.28 -0.56 0.00 0.00 175.26 177.54 3h3v n LEU 651 N 2.18 1.12 -0.06 2.70 4.77 -1.26 -3.49 117.00 122.96 3h3v n LEU 651 Ca -0.13 1.14 0.07 0.00 -0.03 0.00 0.00 56.01 57.06 3h3v n LEU 651 Cb 0.56 -1.04 0.43 0.00 -2.33 0.00 0.00 43.42 41.05 3h3v n LEU 651 CO 0.03 -1.21 1.18 0.11 -1.33 0.00 0.00 177.39 176.17 3h3v h LYS 652 N 4.52 0.53 -6.82 3.23 1.79 -0.50 -3.41 116.57 115.91 3h3v h LYS 652 Ca -0.48 -0.03 -0.50 0.00 -2.18 0.00 0.00 60.65 57.46 3h3v h LYS 652 Cb 1.37 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 31.91 3h3v h LYS 652 CO 0.80 0.35 0.44 0.08 -1.08 0.00 0.00 179.45 180.04 3h3v s VAL 653 N -5.50 3.65 0.10 0.50 1.01 -1.26 -4.98 120.40 113.92 3h3v s VAL 653 Ca -0.08 1.60 0.05 0.00 0.00 0.00 0.00 61.98 63.55 3h3v s VAL 653 Cb 0.18 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3h3v s VAL 653 CO 0.74 0.33 -0.13 -0.13 0.00 0.00 0.00 175.10 175.91 3h3v s ARG 654 N -1.55 0.91 0.47 2.72 1.81 -1.26 -4.87 118.95 117.18 3h3v s ARG 654 Ca 0.46 -1.12 0.03 0.00 -1.72 0.00 0.00 55.73 53.38 3h3v s ARG 654 Cb -0.29 -0.80 0.15 0.00 -0.45 0.00 0.00 34.95 33.56 3h3v s ARG 654 CO 0.37 0.16 0.95 -0.22 -0.68 0.00 0.00 175.30 175.88 3h3v h LYS 655 N 3.81 0.00 0.03 3.54 3.64 -1.43 0.37 116.57 126.53 3h3v h LYS 655 Ca -0.40 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3h3v h LYS 655 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3h3v h LYS 655 CO 0.47 0.00 -0.01 0.78 -2.27 0.00 0.00 179.45 178.42 3h3v h GLY 656 N 0.00 -0.04 -0.56 5.01 0.00 -1.77 -3.06 103.07 102.65 3h3v h GLY 656 Ca 0.00 0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.43 3h3v h GLY 656 CO 0.00 -0.02 -0.22 1.42 0.00 0.00 0.00 176.54 177.73 3h3v n HIS 657 N -3.75 0.02 0.11 5.60 8.25 0.13 -0.83 115.22 124.74 3h3v n HIS 657 Ca -0.00 0.69 -0.11 0.00 -0.26 0.00 0.00 57.72 58.04 3h3v n HIS 657 Cb 0.02 -0.71 -0.06 0.00 1.12 0.00 0.00 29.99 30.35 3h3v n HIS 657 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3h3v h ILE 658 N 0.00 0.00 0.00 1.59 2.04 -1.64 -0.95 117.51 118.55 3h3v h ILE 658 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 3h3v h ILE 658 Cb 0.34 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3h3v h ILE 658 CO -0.56 0.00 0.03 0.00 0.00 0.00 0.00 178.15 177.62 3h3v n ALA 659 N -2.70 0.98 0.38 1.87 0.00 -0.01 0.11 120.51 121.13 3h3v n ALA 659 Ca -0.06 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.63 3h3v n ALA 659 Cb 0.27 -1.16 0.13 0.00 0.00 0.00 0.00 19.45 18.69 3h3v n ALA 659 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3h3v h LYS 660 N 0.00 0.00 0.03 0.00 3.64 0.11 -2.59 116.57 117.76 3h3v h LYS 660 Ca 0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 3h3v h LYS 660 Cb 0.06 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3h3v h LYS 660 CO 0.00 0.00 -1.62 1.28 -2.27 0.00 0.00 179.45 176.84 3h3v n LEU 661 N -2.43 2.10 0.24 5.20 4.77 0.29 -3.85 117.00 123.32 3h3v n LEU 661 Ca 0.02 0.34 0.16 0.00 -0.03 0.00 0.00 56.01 56.51 3h3v n LEU 661 Cb 0.49 -0.99 0.85 0.00 -2.33 0.00 0.00 43.42 41.43 3h3v n LEU 661 CO 0.37 0.48 0.99 0.24 -1.33 0.00 0.00 177.39 178.13 3h3v h MET 662 N -0.70 0.00 -0.04 3.23 2.86 -0.80 0.45 114.93 119.93 3h3v h MET 662 Ca -0.41 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.04 3h3v h MET 662 Cb 1.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.20 3h3v h MET 662 CO -0.15 0.00 -0.79 0.00 1.06 0.00 0.00 176.91 177.02 3h3v h ALA 663 N 2.02 0.56 0.00 6.32 0.00 -1.57 -1.01 119.26 125.57 3h3v h ALA 663 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3h3v h ALA 663 Cb 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3h3v h ALA 663 CO 0.00 0.81 -0.04 1.15 0.00 0.00 0.00 179.25 181.17 3h3v h THR 664 N 0.21 0.00 -0.14 0.00 2.02 -0.30 -3.19 112.91 111.52 3h3v h THR 664 Ca -0.04 -0.99 -0.18 0.00 0.77 0.00 0.00 66.41 65.97 3h3v h THR 664 Cb 1.39 1.97 0.01 0.00 -1.74 0.00 0.00 68.15 69.77 3h3v h THR 664 CO 0.13 0.00 -0.64 -0.33 0.37 0.00 0.00 175.52 175.05 3h3v h GLU 665 N 0.00 0.67 0.00 6.66 5.08 -0.67 -3.07 114.58 123.26 3h3v h GLU 665 Ca 0.00 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 3h3v h GLU 665 Cb 0.99 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 3h3v h GLU 665 CO 0.00 1.16 -0.05 -0.92 -1.00 0.00 0.00 179.01 178.19 3h3v h TYR 666 N 0.35 0.00 0.00 4.33 3.20 -1.18 -3.17 116.97 120.50 3h3v h TYR 666 Ca -0.04 0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.52 3h3v h TYR 666 Cb 1.27 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 3h3v h TYR 666 CO 0.10 0.05 0.71 1.04 -1.64 0.00 0.00 178.16 178.42 3h3v n GLN 667 N -3.62 2.42 -0.16 1.82 6.02 -1.16 -5.12 117.38 117.59 3h3v n GLN 667 Ca -0.02 -1.30 0.00 0.00 -0.01 0.00 0.00 57.00 55.67 3h3v n GLN 667 Cb 0.16 -2.20 0.00 0.00 1.02 0.00 0.00 30.24 29.22 3h3v n GLN 667 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3h3v n ASP 668 N 2.78 0.00 -0.29 1.08 8.00 -1.20 -5.06 116.55 121.87 3h3v n ASP 668 Ca 0.52 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.78 3h3v n ASP 668 Cb 0.74 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 3h3v n ASP 668 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3h3v n GLU 678 N 0.00 0.00 -3.67 -1.24 0.28 -1.26 -5.16 120.64 109.58 3h3v n GLU 678 Ca 0.00 -0.56 -0.29 0.00 -0.16 0.00 0.00 57.16 56.15 3h3v n GLU 678 Cb 0.55 -0.35 -0.12 0.00 1.43 0.00 0.00 31.44 32.94 3h3v n GLU 678 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3h3v s TYR 679 N 0.00 2.08 0.00 -1.84 5.04 -1.26 -5.03 117.35 116.34 3h3v s TYR 679 Ca 0.00 -2.57 0.00 0.00 -2.44 0.00 0.00 57.07 52.06 3h3v s TYR 679 Cb 0.00 -1.82 0.00 0.00 0.35 0.00 0.00 41.96 40.49 3h3v s TYR 679 CO 0.00 -0.74 0.00 0.25 -1.34 0.00 0.00 175.55 173.72 3h3v n THR 680 N 3.08 0.00 0.24 4.34 -2.24 -1.26 -4.73 114.28 113.71 3h3v n THR 680 Ca 0.16 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.83 3h3v n THR 680 Cb 0.38 -0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 67.77 3h3v n THR 680 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3h3v h TRP 681 N 0.00 -0.63 -0.56 4.78 2.91 -1.94 -3.00 115.95 117.51 3h3v h TRP 681 Ca 0.00 -0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.13 3h3v h TRP 681 Cb 0.00 0.21 -0.11 0.00 -0.51 0.00 0.00 29.16 28.75 3h3v h TRP 681 CO 0.00 -0.39 -0.09 0.43 -1.03 0.00 0.00 178.44 177.36 3h3v n SER 682 N -5.16 -0.16 0.34 2.65 7.64 -1.26 0.18 113.62 117.86 3h3v n SER 682 Ca -0.08 0.96 -0.17 0.00 1.01 0.00 0.00 58.87 60.59 3h3v n SER 682 Cb 0.27 -0.31 -0.08 0.00 -1.01 0.00 0.00 64.21 63.07 3h3v n SER 682 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3h3v h SER 683 N 0.00 -0.73 0.00 6.43 4.64 -1.93 0.15 113.55 122.11 3h3v h SER 683 Ca 0.29 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3h3v h SER 683 Cb 0.51 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3h3v h SER 683 CO -0.56 -0.44 0.34 0.18 -0.87 0.00 0.00 176.83 175.48 3h3v n LEU 684 N -5.41 0.11 -0.02 5.97 4.77 0.47 -1.07 117.00 121.82 3h3v n LEU 684 Ca -0.13 0.33 -0.02 0.00 -0.03 0.00 0.00 56.01 56.17 3h3v n LEU 684 Cb 0.36 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3h3v n LEU 684 CO 0.35 -0.37 -0.13 -0.11 -1.33 0.00 0.00 177.39 175.80 3h3v n LEU 685 N -1.55 0.40 0.23 2.23 7.94 -0.43 -2.10 117.00 123.73 3h3v n LEU 685 Ca -0.00 0.11 0.11 0.00 -1.11 0.00 0.00 56.01 55.12 3h3v n LEU 685 Cb 0.34 -0.55 0.61 0.00 0.53 0.00 0.00 43.42 44.35 3h3v n LEU 685 CO 0.02 -0.46 0.94 0.78 -1.11 0.00 0.00 177.39 177.56 3h3v h ASN 686 N -0.21 0.00 -1.59 1.96 2.35 -0.21 -0.49 115.58 117.39 3h3v h ASN 686 Ca 0.00 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.07 3h3v h ASN 686 Cb 0.19 0.00 -0.25 0.00 0.05 0.00 0.00 38.32 38.31 3h3v h ASN 686 CO 0.00 0.00 0.88 -0.62 -1.65 0.00 0.00 177.43 176.04 3h3v n GLU 687 N -2.44 2.63 -3.09 0.81 1.02 -0.23 -4.32 120.64 115.03 3h3v n GLU 687 Ca -0.01 -3.17 0.00 0.00 -0.02 0.00 0.00 57.16 53.95 3h3v n GLU 687 Cb 0.27 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 3h3v n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h3v n GLY 688 N -0.30 0.00 0.03 0.62 0.00 -0.19 -4.69 105.19 100.66 3h3v n GLY 688 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.52 3h3v n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h3v n LEU 689 N -0.83 0.45 -3.82 0.99 4.77 -1.21 -4.89 117.00 112.47 3h3v n LEU 689 Ca 0.00 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 3h3v n LEU 689 Cb 0.00 0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.05 3h3v n LEU 689 CO 0.00 0.23 -0.19 -0.69 -1.33 0.00 0.00 177.39 175.41 3h3v s VAL 690 N -2.15 -0.00 0.19 4.08 1.01 -0.89 -1.89 120.40 120.75 3h3v s VAL 690 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.04 3h3v s VAL 690 Cb 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 3h3v s VAL 690 CO 0.25 0.00 -0.21 -0.70 0.00 0.00 0.00 175.10 174.44 3h3v s GLU 691 N 0.11 1.44 -0.75 2.72 2.12 -0.84 -4.58 118.70 118.91 3h3v s GLU 691 Ca -0.00 -1.51 -0.16 0.00 0.36 0.00 0.00 54.97 53.66 3h3v s GLU 691 Cb -0.01 -1.62 0.17 0.00 0.26 0.00 0.00 34.13 32.93 3h3v s GLU 691 CO 0.00 0.34 0.77 0.71 -0.54 0.00 0.00 175.26 176.54 3h3v s TYR 692 N -1.94 3.44 -0.27 5.30 4.12 -1.25 -1.82 117.35 124.92 3h3v s TYR 692 Ca 0.20 -1.59 -0.18 0.00 0.02 0.00 0.00 57.07 55.52 3h3v s TYR 692 Cb -0.07 -3.93 -0.02 0.00 -1.52 0.00 0.00 41.96 36.42 3h3v s TYR 692 CO 0.09 -1.13 0.52 0.42 0.02 0.00 0.00 175.55 175.47 3h3v s ILE 693 N 1.27 5.06 0.05 2.71 1.01 -0.84 -4.83 121.20 125.62 3h3v s ILE 693 Ca 0.17 0.85 -0.00 0.00 0.00 0.00 0.00 60.65 61.66 3h3v s ILE 693 Cb -0.15 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.48 3h3v s ILE 693 CO -0.04 0.06 0.06 -0.90 0.00 0.00 0.00 174.94 174.12 3h3v n ASP 694 N 5.57 0.03 -0.03 3.58 5.75 -1.26 -2.44 116.55 127.75 3h3v n ASP 694 Ca -0.04 -1.04 -0.11 0.00 -0.01 0.00 0.00 54.79 53.59 3h3v n ASP 694 Cb 0.50 -0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 40.49 3h3v n ASP 694 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h3v h ALA 695 N -1.30 0.17 -0.11 2.12 0.00 -1.91 -1.81 119.26 116.43 3h3v h ALA 695 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3h3v h ALA 695 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3h3v h ALA 695 CO 0.02 -0.24 0.00 -1.91 0.00 0.00 0.00 179.25 177.12 3h3v n GLU 696 N -4.89 0.00 -0.29 0.00 4.07 -1.26 -2.34 120.64 115.93 3h3v n GLU 696 Ca -0.05 0.73 0.11 0.00 -0.06 0.00 0.00 57.16 57.88 3h3v n GLU 696 Cb 0.12 -1.48 0.27 0.00 -0.06 0.00 0.00 31.44 30.28 3h3v n GLU 696 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3h3v h GLU 697 N 0.00 0.39 -0.92 5.31 5.08 -1.89 -0.68 114.58 121.87 3h3v h GLU 697 Ca 0.00 -0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.60 3h3v h GLU 697 Cb 0.00 -0.09 -0.15 0.00 0.50 0.00 0.00 28.75 29.01 3h3v h GLU 697 CO 0.00 0.26 0.27 1.49 -1.00 0.00 0.00 179.01 180.03 3h3v h GLU 698 N 0.41 0.17 -0.94 2.33 4.81 -0.92 0.44 114.58 120.87 3h3v h GLU 698 Ca 0.52 -0.01 0.28 0.00 -0.13 0.00 0.00 59.36 60.01 3h3v h GLU 698 Cb 0.93 -0.04 -0.16 0.00 0.63 0.00 0.00 28.75 30.11 3h3v h GLU 698 CO -0.50 0.11 0.22 0.93 -0.73 0.00 0.00 179.01 179.04 3h3v h GLU 699 N 0.17 0.11 -2.11 1.92 4.39 -0.89 -2.47 114.58 115.70 3h3v h GLU 699 Ca 0.61 -0.01 -0.77 0.00 0.34 0.00 0.00 59.36 59.54 3h3v h GLU 699 Cb 1.30 -0.03 -0.26 0.00 -0.10 0.00 0.00 28.75 29.67 3h3v h GLU 699 CO -0.70 0.08 1.07 -1.13 -1.16 0.00 0.00 179.01 177.16 3h3v n SER 700 N -5.31 7.43 -3.56 1.42 3.41 0.14 -4.95 113.62 112.21 3h3v n SER 700 Ca 0.25 -3.72 -0.11 0.00 -0.26 0.00 0.00 58.87 55.03 3h3v n SER 700 Cb 0.81 -1.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 3h3v n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3h3v s ILE 701 N -4.48 0.00 -0.01 -1.33 -4.36 -0.93 -5.01 121.20 105.08 3h3v s ILE 701 Ca 0.48 -1.37 0.03 0.00 -0.26 0.00 0.00 60.65 59.53 3h3v s ILE 701 Cb 0.34 -2.45 -0.01 0.00 1.25 0.00 0.00 42.46 41.58 3h3v s ILE 701 CO -0.29 0.00 -0.11 -0.22 0.24 0.00 0.00 174.94 174.56 3h3v s LEU 702 N -3.09 2.02 0.05 0.37 2.96 -1.26 -5.02 118.68 114.71 3h3v s LEU 702 Ca 0.23 -0.20 0.06 0.00 -0.22 0.00 0.00 54.13 53.99 3h3v s LEU 702 Cb -0.02 -0.56 -0.03 0.00 0.50 0.00 0.00 46.19 46.08 3h3v s LEU 702 CO 0.13 0.13 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.51 3h3v s ILE 703 N -0.27 1.23 -0.11 6.68 1.01 -1.26 -2.30 121.20 126.18 3h3v s ILE 703 Ca 0.04 -1.15 -0.03 0.00 0.00 0.00 0.00 60.65 59.51 3h3v s ILE 703 Cb -0.04 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 3h3v s ILE 703 CO -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 174.94 174.89 3h3v s ALA 704 N -0.98 3.23 0.00 9.38 0.00 -0.84 -4.99 121.76 127.56 3h3v s ALA 704 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.17 3h3v s ALA 704 Cb -0.09 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.50 3h3v s ALA 704 CO 0.02 0.47 0.38 -0.12 0.00 0.00 0.00 175.76 176.50 3h3v n MET 705 N 2.58 0.00 -3.10 0.00 1.56 -1.26 -1.24 117.12 115.66 3h3v n MET 705 Ca -0.18 0.16 -0.40 0.00 -0.27 0.00 0.00 57.70 57.01 3h3v n MET 705 Cb 0.53 -0.95 -0.06 0.00 2.15 0.00 0.00 33.22 34.90 3h3v n MET 705 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3h3v s GLN 706 N -1.08 4.26 0.09 2.12 -0.21 -1.26 -3.86 119.66 119.72 3h3v s GLN 706 Ca 0.00 0.67 -0.33 0.00 0.02 0.00 0.00 55.36 55.72 3h3v s GLN 706 Cb 0.00 -3.55 -0.14 0.00 1.00 0.00 0.00 33.01 30.31 3h3v s GLN 706 CO 0.00 -0.18 1.59 -1.00 -2.12 0.00 0.00 175.29 173.58 3h3v h PRO 707 N 7.32 -0.82 0.00 2.91 0.13 -1.83 -3.11 132.00 136.61 3h3v h PRO 707 Ca -0.33 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3h3v h PRO 707 Cb 1.15 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3h3v h PRO 707 CO 0.78 -0.54 0.00 -0.85 -0.23 0.00 0.00 178.00 177.15 3h3v n GLU 708 N -5.51 0.00 -0.14 0.86 0.28 -1.26 -3.59 120.64 111.27 3h3v n GLU 708 Ca -0.11 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.04 3h3v n GLU 708 Cb 0.41 -0.09 0.22 0.00 1.43 0.00 0.00 31.44 33.42 3h3v n GLU 708 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3h3v n ASP 709 N 0.00 0.00 -2.79 -1.84 8.00 -1.26 -1.03 116.55 117.62 3h3v n ASP 709 Ca 0.00 0.34 -0.36 0.00 0.71 0.00 0.00 54.79 55.48 3h3v n ASP 709 Cb 0.00 -0.13 0.03 0.00 -0.02 0.00 0.00 41.12 41.00 3h3v n ASP 709 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3h3v n LEU 710 N -2.28 6.76 0.15 0.64 4.77 -1.18 -4.71 117.00 121.16 3h3v n LEU 710 Ca 0.12 -4.94 0.00 0.00 -0.03 0.00 0.00 56.01 51.16 3h3v n LEU 710 Cb 0.70 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3h3v n LEU 710 CO 0.12 1.89 0.00 -0.62 -1.33 0.00 0.00 177.39 177.45 3h3v n GLU 711 N -0.53 0.00 0.00 3.23 -0.58 -0.20 -4.91 120.64 117.65 3h3v n GLU 711 Ca 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 3h3v n GLU 711 Cb 0.35 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.22 3h3v n GLU 711 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3h3v n PRO 712 N -3.28 1.74 0.00 3.49 -0.04 -1.26 -4.94 135.00 130.71 3h3v n PRO 712 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3h3v n PRO 712 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3h3v n PRO 712 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h3v n ALA 713 N -3.00 0.00 -3.68 0.55 0.00 -1.26 -5.05 120.51 108.07 3h3v n ALA 713 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3h3v n ALA 713 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3h3v n ALA 713 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3h3v s GLU 714 N 1.30 0.57 -0.00 0.00 2.12 -1.26 -5.18 118.70 116.25 3h3v s GLU 714 Ca 0.00 -0.88 0.19 0.00 0.36 0.00 0.00 54.97 54.64 3h3v s GLU 714 Cb 0.00 -1.77 -0.22 0.00 0.26 0.00 0.00 34.13 32.40 3h3v s GLU 714 CO 0.00 -0.97 0.74 0.00 -0.54 0.00 0.00 175.26 174.49 3h3v n ALA 715 N 4.97 4.17 -2.00 6.30 0.00 -1.26 -5.34 120.51 127.36 3h3v n ALA 715 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3h3v n ALA 715 Cb 0.42 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.19 3h3v n ALA 715 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3h3v n ASP 722 N -1.56 0.00 -4.63 0.00 8.00 -1.26 -5.38 116.55 111.72 3h3v n ASP 722 Ca 0.02 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.23 3h3v n ASP 722 Cb 0.33 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.55 3h3v n ASP 722 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3h3v s VAL 723 N 1.82 2.00 -0.08 2.53 1.01 -1.26 -5.01 120.40 121.42 3h3v s VAL 723 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 3h3v s VAL 723 Cb 0.00 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 3h3v s VAL 723 CO 0.00 0.00 1.24 -0.62 0.00 0.00 0.00 175.10 175.72 3h3v s ASP 724 N -4.68 7.00 0.00 3.32 -1.08 -1.26 -4.93 116.67 115.05 3h3v s ASP 724 Ca 0.66 1.81 0.14 0.00 -0.52 0.00 0.00 52.55 54.64 3h3v s ASP 724 Cb -0.09 -2.55 0.78 0.00 -1.46 0.00 0.00 42.92 39.60 3h3v s ASP 724 CO 0.50 -0.65 1.32 -0.81 0.52 0.00 0.00 175.17 176.06 3h3v n PRO 725 N 5.61 0.32 -0.03 4.34 -0.04 -1.26 -3.57 135.00 140.38 3h3v n PRO 725 Ca 0.12 0.08 -0.03 0.00 -0.04 0.00 0.00 63.50 63.62 3h3v n PRO 725 Cb 0.46 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 3h3v n PRO 725 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h3v n ALA 726 N -1.14 1.88 -0.62 0.55 0.00 -1.26 -5.04 120.51 114.88 3h3v n ALA 726 Ca 0.09 -0.25 -0.31 0.00 0.00 0.00 0.00 53.44 52.97 3h3v n ALA 726 Cb 0.08 0.31 0.19 0.00 0.00 0.00 0.00 19.45 20.02 3h3v n ALA 726 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h3v n LYS 727 N -2.50 -1.91 0.00 0.00 5.02 -1.23 -4.96 118.16 112.57 3h3v n LYS 727 Ca -0.09 -0.54 0.00 0.00 -2.02 0.00 0.00 58.31 55.66 3h3v n LYS 727 Cb 0.62 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3h3v n LYS 727 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3h3v n ARG 728 N -2.57 2.41 -3.39 1.97 1.85 -1.26 -5.01 116.66 110.66 3h3v n ARG 728 Ca 0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.68 3h3v n ARG 728 Cb 0.60 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.92 3h3v n ARG 728 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3h3v s ILE 729 N 0.00 -0.31 0.25 8.89 1.01 -1.26 -5.04 121.20 124.74 3h3v s ILE 729 Ca 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 3h3v s ILE 729 Cb 0.00 -0.85 -0.06 0.00 0.01 0.00 0.00 42.46 41.56 3h3v s ILE 729 CO 0.00 -0.58 0.51 -0.13 0.00 0.00 0.00 174.94 174.74 3h3v s ARG 730 N 1.79 3.66 0.00 2.79 0.52 -1.26 -5.11 118.95 121.34 3h3v s ARG 730 Ca 0.14 0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.38 3h3v s ARG 730 Cb -0.15 -2.69 0.00 0.00 0.52 0.00 0.00 34.95 32.62 3h3v s ARG 730 CO -0.16 0.29 0.00 0.28 0.02 0.00 0.00 175.30 175.73 3h3v n VAL 731 N -0.57 0.00 -3.62 3.52 0.31 -1.26 -5.12 118.33 111.60 3h3v n VAL 731 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3h3v n VAL 731 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 3h3v n VAL 731 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3h3v n SER 732 N 0.00 0.86 -2.44 4.52 7.64 -1.26 -5.07 113.62 117.87 3h3v n SER 732 Ca 0.00 -0.62 -0.21 0.00 1.01 0.00 0.00 58.87 59.05 3h3v n SER 732 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 3h3v n SER 732 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h3v n HIS 733 N 0.00 2.71 0.00 1.43 1.44 -1.26 -4.94 115.22 114.61 3h3v n HIS 733 Ca 0.00 -2.80 0.00 0.00 -2.01 0.00 0.00 57.72 52.91 3h3v n HIS 733 Cb 0.00 -0.20 0.00 0.00 0.12 0.00 0.00 29.99 29.91 3h3v n HIS 733 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3h3v n HIS 734 N -0.46 0.00 -4.36 -1.40 8.25 -1.26 -4.62 115.22 111.37 3h3v n HIS 734 Ca 0.32 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.59 3h3v n HIS 734 Cb 0.76 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.78 3h3v n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h3v s ALA 735 N -1.68 2.08 -0.32 -1.41 0.00 -1.26 -5.09 121.76 114.09 3h3v s ALA 735 Ca 0.00 -1.72 0.16 0.00 0.00 0.00 0.00 51.96 50.40 3h3v s ALA 735 Cb 0.00 1.11 0.44 0.00 0.00 0.00 0.00 23.12 24.67 3h3v s ALA 735 CO 0.00 -0.49 1.36 2.41 0.00 0.00 0.00 175.76 179.04 3h3v n THR 736 N -0.63 0.47 0.84 0.00 -1.04 -1.26 -4.85 114.28 107.81 3h3v n THR 736 Ca 0.00 -1.77 0.11 0.00 -2.04 0.00 0.00 64.05 60.35 3h3v n THR 736 Cb 0.65 1.09 0.10 0.00 -1.82 0.00 0.00 70.33 70.35 3h3v n THR 736 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3h3v n THR 737 N -1.10 0.04 -1.60 12.58 -1.04 -1.26 -4.98 114.28 116.92 3h3v n THR 737 Ca -0.07 -0.52 -0.60 0.00 -2.04 0.00 0.00 64.05 60.82 3h3v n THR 737 Cb 0.85 1.41 -0.08 0.00 -1.82 0.00 0.00 70.33 70.68 3h3v n THR 737 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3h3v n PHE 738 N 1.22 1.22 -0.02 -1.42 3.01 -1.26 -4.74 117.46 115.46 3h3v n PHE 738 Ca 0.13 0.95 0.01 0.00 1.01 0.00 0.00 57.45 59.55 3h3v n PHE 738 Cb 0.54 -2.21 -0.06 0.00 -0.01 0.00 0.00 39.48 37.74 3h3v n PHE 738 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3h3v n THR 739 N 2.61 0.21 -4.13 4.37 -2.24 -1.03 -4.66 114.28 109.41 3h3v n THR 739 Ca 0.23 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 3h3v n THR 739 Cb 0.07 -0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.08 3h3v n THR 739 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3h3v s HIS 740 N -2.43 0.79 0.03 4.78 3.76 -0.97 -0.90 115.29 120.33 3h3v s HIS 740 Ca -0.03 -1.18 0.01 0.00 -0.15 0.00 0.00 55.06 53.70 3h3v s HIS 740 Cb 0.04 -0.44 -0.02 0.00 1.11 0.00 0.00 32.58 33.27 3h3v s HIS 740 CO 0.34 -0.51 -0.04 0.00 -0.85 0.00 0.00 174.74 173.68 3h3v s GLU 742 N -1.52 4.36 0.21 0.00 2.56 -0.37 -0.44 118.70 123.51 3h3v s GLU 742 Ca -0.14 1.23 -0.14 0.00 0.00 0.00 0.00 54.97 55.92 3h3v s GLU 742 Cb -0.10 -3.56 0.24 0.00 2.00 0.00 0.00 34.13 32.72 3h3v s GLU 742 CO -0.01 -0.34 1.62 0.82 -0.56 0.00 0.00 175.26 176.79 3h3v h ILE 743 N 5.15 0.31 -0.54 -3.70 1.08 -1.85 -3.43 117.51 114.54 3h3v h ILE 743 Ca -0.30 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.40 3h3v h ILE 743 Cb 1.13 0.31 -0.27 0.00 -3.07 0.00 0.00 36.82 34.93 3h3v h ILE 743 CO 0.86 0.00 0.44 -2.28 -0.69 0.00 0.00 178.15 176.48 3h3v s HIS 744 N -6.21 -0.30 0.47 1.37 2.46 -1.26 -4.70 115.29 107.11 3h3v s HIS 744 Ca -0.14 0.53 0.30 0.00 0.47 0.00 0.00 55.06 56.21 3h3v s HIS 744 Cb 0.20 0.18 1.38 0.00 -0.13 0.00 0.00 32.58 34.21 3h3v s HIS 744 CO 0.73 -0.15 1.73 -1.00 -2.47 0.00 0.00 174.74 173.58 3h3v h PRO 745 N 7.03 0.15 0.00 2.88 0.13 -1.86 -0.78 132.00 139.55 3h3v h PRO 745 Ca -0.16 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3h3v h PRO 745 Cb 1.13 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3h3v h PRO 745 CO 0.09 0.10 0.09 -1.13 -0.23 0.00 0.00 178.00 176.92 3h3v n SER 746 N -4.44 0.00 -0.91 1.44 3.41 -1.26 -0.56 113.62 111.29 3h3v n SER 746 Ca 0.30 0.07 0.11 0.00 -0.26 0.00 0.00 58.87 59.10 3h3v n SER 746 Cb 1.23 -0.07 0.27 0.00 -0.26 0.00 0.00 64.21 65.38 3h3v n SER 746 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3h3v n MET 747 N -0.89 2.19 0.00 4.33 2.81 -0.30 -3.75 117.12 121.51 3h3v n MET 747 Ca 0.00 -1.80 0.14 0.00 -1.81 0.00 0.00 57.70 54.23 3h3v n MET 747 Cb 0.09 -1.46 0.60 0.00 -0.71 0.00 0.00 33.22 31.73 3h3v n MET 747 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3h3v n ILE 748 N 1.03 0.00 -2.16 2.02 -5.35 0.27 -3.91 119.36 111.25 3h3v n ILE 748 Ca 0.18 -0.03 -0.28 0.00 -0.27 0.00 0.00 62.75 62.34 3h3v n ILE 748 Cb 0.50 -0.21 0.03 0.00 -1.74 0.00 0.00 39.64 38.22 3h3v n ILE 748 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3h3v s LEU 749 N -2.67 3.11 0.10 7.28 1.43 -1.25 -4.07 118.68 122.62 3h3v s LEU 749 Ca 0.23 0.94 0.08 0.00 -1.03 0.00 0.00 54.13 54.36 3h3v s LEU 749 Cb 0.20 -3.78 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 3h3v s LEU 749 CO 0.51 -1.15 -0.20 -0.83 0.23 0.00 0.00 176.35 174.91 3h3v s GLY 750 N -4.31 1.22 0.00 -3.19 0.00 -1.26 -2.26 107.32 97.52 3h3v s GLY 750 Ca 0.55 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 44.03 3h3v s GLY 750 CO 0.48 -1.25 0.00 -0.62 0.00 0.00 0.00 173.10 171.71 3h3v n VAL 751 N 1.04 0.00 0.10 1.40 0.31 -1.26 -0.20 118.33 119.72 3h3v n VAL 751 Ca -0.19 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.06 3h3v n VAL 751 Cb 0.54 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.42 3h3v n VAL 751 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h3v h ALA 752 N 0.00 -0.86 -0.89 3.52 0.00 -1.95 -2.60 119.26 116.48 3h3v h ALA 752 Ca 0.00 -0.07 0.35 0.00 0.00 0.00 0.00 54.91 55.19 3h3v h ALA 752 Cb 0.00 0.54 -0.16 0.00 0.00 0.00 0.00 17.79 18.17 3h3v h ALA 752 CO 0.00 -0.89 0.40 0.00 0.00 0.00 0.00 179.25 178.76 3h3v n ALA 753 N -2.57 0.84 -0.33 0.00 0.00 0.71 -0.22 120.51 118.95 3h3v n ALA 753 Ca -0.05 0.92 0.17 0.00 0.00 0.00 0.00 53.44 54.49 3h3v n ALA 753 Cb 0.20 -0.88 0.41 0.00 0.00 0.00 0.00 19.45 19.18 3h3v n ALA 753 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3h3v h SER 754 N 0.00 0.62 0.11 0.00 0.02 -1.07 0.80 113.55 114.03 3h3v h SER 754 Ca 0.72 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.76 3h3v h SER 754 Cb 1.86 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.38 3h3v h SER 754 CO -0.72 0.18 0.00 -0.38 -1.14 0.00 0.00 176.83 174.77 3h3v n ILE 755 N -4.71 0.08 -2.81 3.27 5.41 0.69 -4.71 119.36 116.57 3h3v n ILE 755 Ca 0.24 0.02 -0.43 0.00 1.00 0.00 0.00 62.75 63.58 3h3v n ILE 755 Cb 0.70 -0.65 -0.04 0.00 -0.71 0.00 0.00 39.64 38.94 3h3v n ILE 755 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3h3v s ILE 756 N -2.15 4.51 0.22 1.39 1.01 0.27 -4.93 121.20 121.52 3h3v s ILE 756 Ca 0.32 0.92 -0.30 0.00 0.00 0.00 0.00 60.65 61.58 3h3v s ILE 756 Cb 0.16 -4.40 -0.10 0.00 0.01 0.00 0.00 42.46 38.13 3h3v s ILE 756 CO 0.29 -0.73 1.45 -2.16 0.00 0.00 0.00 174.94 173.79 3h3v s PRO 757 N 3.67 4.27 -1.49 2.79 0.04 -1.26 -3.45 135.00 139.57 3h3v s PRO 757 Ca 0.38 2.27 -0.12 0.00 0.04 0.00 0.00 61.00 63.56 3h3v s PRO 757 Cb -0.11 -3.14 0.08 0.00 0.04 0.00 0.00 34.50 31.38 3h3v s PRO 757 CO 0.24 -0.44 0.82 1.19 0.04 0.00 0.00 177.00 178.85 3h3v n PHE 758 N 2.77 -2.12 0.16 0.56 0.99 -1.08 -4.82 117.46 113.92 3h3v n PHE 758 Ca 0.08 0.76 0.17 0.00 -0.00 0.00 0.00 57.45 58.46 3h3v n PHE 758 Cb 0.40 -3.73 0.59 0.00 -1.00 0.00 0.00 39.48 35.74 3h3v n PHE 758 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3h3v h PRO 759 N -1.72 0.00 -0.94 -1.08 0.13 -1.86 0.68 132.00 127.22 3h3v h PRO 759 Ca -0.54 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 3h3v h PRO 759 Cb 1.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 3h3v h PRO 759 CO 0.64 0.00 0.03 -0.40 -0.23 0.00 0.00 178.00 178.04 3h3v n ASP 760 N -3.15 2.25 0.00 1.44 5.75 -1.26 -3.40 116.55 118.18 3h3v n ASP 760 Ca 0.06 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 3h3v n ASP 760 Cb 0.77 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 3h3v n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3h3v n HIS 761 N 0.14 0.00 -4.64 2.11 8.25 0.24 -5.08 115.22 116.24 3h3v n HIS 761 Ca 0.07 -0.01 -0.28 0.00 -0.26 0.00 0.00 57.72 57.24 3h3v n HIS 761 Cb 0.51 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.48 3h3v n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3h3v s ASN 762 N -0.02 2.92 -0.65 0.41 0.01 -1.22 -3.63 114.94 112.76 3h3v s ASN 762 Ca 0.00 -0.62 -0.33 0.00 -0.71 0.00 0.00 52.86 51.20 3h3v s ASN 762 Cb 0.00 -0.23 -0.16 0.00 0.41 0.00 0.00 41.25 41.27 3h3v s ASN 762 CO 0.00 0.19 2.42 1.67 -1.51 0.00 0.00 177.10 179.87 3h3v n GLN 763 N 1.52 0.47 0.00 -0.60 7.27 -1.18 -4.72 117.38 120.14 3h3v n GLN 763 Ca -0.18 0.07 0.00 0.00 0.07 0.00 0.00 57.00 56.97 3h3v n GLN 763 Cb 0.53 -2.11 0.00 0.00 2.41 0.00 0.00 30.24 31.06 3h3v n GLN 763 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3h3v n SER 764 N 10.84 0.00 0.08 1.69 2.88 -1.26 0.14 113.62 127.99 3h3v n SER 764 Ca 0.52 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 58.16 3h3v n SER 764 Cb 0.17 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.18 3h3v n SER 764 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3h3v h PRO 765 N 0.00 0.23 -0.76 -1.46 0.13 -1.97 -2.76 132.00 125.40 3h3v h PRO 765 Ca 0.00 -0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.28 3h3v h PRO 765 Cb 0.00 -0.05 -0.11 0.00 0.13 0.00 0.00 31.00 30.97 3h3v h PRO 765 CO 0.00 0.15 0.22 0.00 -0.23 0.00 0.00 178.00 178.15 3h3v h ARG 766 N 0.24 0.30 0.00 0.86 2.47 0.90 0.18 114.38 119.33 3h3v h ARG 766 Ca 0.14 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.82 3h3v h ARG 766 Cb 0.25 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3h3v h ARG 766 CO -0.03 0.20 -0.08 -0.91 0.56 0.00 0.00 179.97 179.72 3h3v h ASN 767 N 0.31 0.00 0.66 7.04 2.35 -1.64 -2.29 115.58 122.02 3h3v h ASN 767 Ca 0.43 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.14 3h3v h ASN 767 Cb 0.74 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 3h3v h ASN 767 CO -0.50 0.08 -0.20 0.74 -1.65 0.00 0.00 177.43 175.90 3h3v h THR 768 N 0.00 0.61 0.04 2.81 2.02 -0.74 -1.25 112.91 116.40 3h3v h THR 768 Ca -0.00 -0.92 -0.10 0.00 0.77 0.00 0.00 66.41 66.16 3h3v h THR 768 Cb 0.25 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3h3v h THR 768 CO 0.01 0.20 -0.52 1.88 0.37 0.00 0.00 175.52 177.46 3h3v h TYR 769 N 0.00 0.15 -0.02 3.16 0.99 -1.43 -3.18 116.97 116.64 3h3v h TYR 769 Ca -0.00 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 60.62 3h3v h TYR 769 Cb 0.59 -0.01 -0.00 0.00 1.00 0.00 0.00 36.73 38.31 3h3v h TYR 769 CO 0.00 1.20 0.02 0.37 -0.00 0.00 0.00 178.16 179.75 3h3v h GLN 770 N -0.81 0.00 -0.57 4.88 5.75 -1.53 0.69 115.11 123.52 3h3v h GLN 770 Ca -0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3h3v h GLN 770 Cb 1.25 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.80 3h3v h GLN 770 CO -0.00 0.00 0.00 0.43 -2.65 0.00 0.00 178.83 176.61 3h3v n SER 771 N -3.65 0.97 0.00 -0.69 7.64 -0.48 -2.37 113.62 115.05 3h3v n SER 771 Ca -0.03 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.80 3h3v n SER 771 Cb 0.10 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 3h3v n SER 771 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h3v n ALA 772 N -0.10 0.41 0.05 -0.43 0.00 0.21 -4.54 120.51 116.11 3h3v n ALA 772 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.42 3h3v n ALA 772 Cb 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.57 3h3v n ALA 772 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3h3v h MET 773 N 0.00 0.00 -0.10 0.00 2.07 -0.65 -3.18 114.93 113.07 3h3v h MET 773 Ca 0.00 0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.66 3h3v h MET 773 Cb 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.73 3h3v h MET 773 CO 0.00 0.67 0.22 0.78 1.07 0.00 0.00 176.91 179.65 3h3v h GLY 774 N 3.33 0.00 -2.52 8.32 0.00 -1.71 0.45 103.07 110.94 3h3v h GLY 774 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 3h3v h GLY 774 CO 0.09 0.00 0.16 0.28 0.00 0.00 0.00 176.54 177.07 3h3v n LYS 775 N -3.32 2.06 0.00 4.80 5.02 -1.20 -3.55 118.16 121.97 3h3v n LYS 775 Ca -0.00 -1.32 0.00 0.00 -2.02 0.00 0.00 58.31 54.97 3h3v n LYS 775 Cb 0.31 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3h3v n LYS 775 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3h3v n GLN 776 N 0.01 0.00 -2.06 1.97 6.02 0.15 -5.02 117.38 118.45 3h3v n GLN 776 Ca 0.20 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.90 3h3v n GLN 776 Cb 0.85 -0.25 0.15 0.00 1.02 0.00 0.00 30.24 32.01 3h3v n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h3v s ALA 777 N 0.00 2.62 0.22 -1.58 0.00 -1.08 0.55 121.76 122.49 3h3v s ALA 777 Ca 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.77 3h3v s ALA 777 Cb 0.00 -2.65 0.01 0.00 0.00 0.00 0.00 23.12 20.48 3h3v s ALA 777 CO 0.00 -2.08 0.09 -1.33 0.00 0.00 0.00 175.76 172.44 3h3v n MET 778 N -3.48 1.31 0.00 0.00 2.81 -0.90 -4.61 117.12 112.26 3h3v n MET 778 Ca 0.14 -1.45 0.00 0.00 -1.81 0.00 0.00 57.70 54.58 3h3v n MET 778 Cb 0.60 0.26 0.00 0.00 -0.71 0.00 0.00 33.22 33.37 3h3v n MET 778 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h3v n GLY 779 N 2.41 -0.00 2.62 3.03 0.00 -1.26 -4.39 105.19 107.60 3h3v n GLY 779 Ca -0.04 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 3h3v n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3v s VAL 780 N 0.00 -0.12 -0.60 1.61 1.01 -1.25 -1.33 120.40 119.72 3h3v s VAL 780 Ca 0.00 -0.26 0.25 0.00 0.00 0.00 0.00 61.98 61.97 3h3v s VAL 780 Cb 0.00 -0.66 0.30 0.00 0.00 0.00 0.00 36.38 36.02 3h3v s VAL 780 CO 0.00 -0.35 1.69 2.19 0.00 0.00 0.00 175.10 178.63 3h3v h PHE 781 N 8.40 0.00 -2.58 5.22 -5.15 -1.84 -3.30 116.94 117.69 3h3v h PHE 781 Ca -0.16 0.00 0.12 0.00 -0.20 0.00 0.00 57.97 57.73 3h3v h PHE 781 Cb 1.13 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.28 3h3v h PHE 781 CO 0.17 0.00 0.50 1.28 -2.00 0.00 0.00 178.31 178.27 3h3v n LEU 782 N -2.63 0.00 -0.04 2.10 4.77 -1.26 -4.24 117.00 115.71 3h3v n LEU 782 Ca 0.05 -1.58 0.01 0.00 -0.03 0.00 0.00 56.01 54.46 3h3v n LEU 782 Cb 0.48 2.84 -0.12 0.00 -2.33 0.00 0.00 43.42 44.28 3h3v n LEU 782 CO 0.32 -0.53 -0.83 0.35 -1.33 0.00 0.00 177.39 175.38 3h3v n THR 783 N -0.65 0.46 1.41 -5.08 -2.24 -1.26 -4.41 114.28 102.51 3h3v n THR 783 Ca -0.03 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3h3v n THR 783 Cb 0.55 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 3h3v n THR 783 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3h3v n ASN 784 N -2.28 0.42 -0.03 3.42 6.94 -1.26 -4.06 115.26 118.40 3h3v n ASN 784 Ca -0.13 -1.82 0.17 0.00 -0.02 0.00 0.00 54.58 52.78 3h3v n ASN 784 Cb 0.68 -0.21 0.61 0.00 -2.36 0.00 0.00 39.78 38.50 3h3v n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 3h3v h TYR 785 N 0.04 0.18 0.00 -2.53 -0.00 -1.95 0.26 116.97 112.97 3h3v h TYR 785 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3h3v h TYR 785 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 36.73 36.88 3h3v h TYR 785 CO 0.00 0.08 0.00 -0.97 -0.00 0.00 0.00 178.16 177.27 3h3v h ASN 786 N 0.16 0.00 0.00 0.10 -1.24 -1.95 -0.71 115.58 111.93 3h3v h ASN 786 Ca 0.26 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.26 3h3v h ASN 786 Cb 0.82 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.83 3h3v h ASN 786 CO -0.04 0.00 -0.31 0.52 -1.29 0.00 0.00 177.43 176.31 3h3v n VAL 787 N -2.43 1.58 -3.66 2.57 0.31 0.88 -4.99 118.33 112.59 3h3v n VAL 787 Ca -0.02 -2.17 -0.39 0.00 -0.01 0.00 0.00 64.34 61.76 3h3v n VAL 787 Cb 0.06 -0.04 -0.12 0.00 -0.91 0.00 0.00 33.84 32.83 3h3v n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3h3v s ARG 788 N -2.36 3.22 -0.83 5.55 0.52 -0.28 -4.98 118.95 119.79 3h3v s ARG 788 Ca 0.30 -0.79 -0.04 0.00 -0.52 0.00 0.00 55.73 54.68 3h3v s ARG 788 Cb 0.28 -3.56 0.15 0.00 0.52 0.00 0.00 34.95 32.34 3h3v s ARG 788 CO -0.02 -0.46 2.44 -1.33 0.02 0.00 0.00 175.30 175.95 3h3v n MET 789 N 4.97 3.45 -3.58 3.54 2.81 -1.26 -4.95 117.12 122.09 3h3v n MET 789 Ca -0.14 -3.11 -0.36 0.00 -1.81 0.00 0.00 57.70 52.28 3h3v n MET 789 Cb 0.48 -2.34 -0.06 0.00 -0.71 0.00 0.00 33.22 30.60 3h3v n MET 789 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3h3v s ASP 790 N -0.05 6.67 -0.24 7.83 3.84 -1.26 -4.96 116.67 128.50 3h3v s ASP 790 Ca 0.54 0.82 -0.29 0.00 -0.00 0.00 0.00 52.55 53.62 3h3v s ASP 790 Cb 0.31 -2.19 -0.02 0.00 -1.38 0.00 0.00 42.92 39.64 3h3v s ASP 790 CO -0.21 0.25 1.57 0.42 -0.00 0.00 0.00 175.17 177.21 3h3v s THR 791 N -1.25 3.75 0.31 2.11 -4.23 -1.26 -4.19 115.64 110.88 3h3v s THR 791 Ca 0.28 0.85 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 3h3v s THR 791 Cb -0.15 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.91 3h3v s THR 791 CO 0.15 -0.34 0.00 0.80 -0.54 0.00 0.00 174.62 174.69 3h3v n MET 792 N 7.66 -3.71 0.00 3.99 0.00 -1.24 -4.86 117.12 118.97 3h3v n MET 792 Ca 0.18 2.70 0.00 0.00 -0.00 0.00 0.00 57.70 60.58 3h3v n MET 792 Cb 0.46 -2.99 0.00 0.00 0.00 0.00 0.00 33.22 30.69 3h3v n MET 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3h3v n ALA 793 N -0.08 0.00 -2.57 -5.12 0.00 -1.03 -4.89 120.51 106.82 3h3v n ALA 793 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3h3v n ALA 793 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 3h3v n ALA 793 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3h3v s ASN 794 N 0.00 2.17 -0.09 0.00 0.01 -1.26 0.60 114.94 116.36 3h3v s ASN 794 Ca 0.00 -0.71 -0.02 0.00 -0.71 0.00 0.00 52.86 51.42 3h3v s ASN 794 Cb 0.00 -0.10 0.04 0.00 0.41 0.00 0.00 41.25 41.60 3h3v s ASN 794 CO 0.00 -0.04 0.03 -0.63 -1.51 0.00 0.00 177.10 174.96 3h3v s ILE 795 N -1.49 0.20 0.05 0.60 1.09 -1.02 -4.29 121.20 116.33 3h3v s ILE 795 Ca 0.05 0.09 -0.30 0.00 -1.10 0.00 0.00 60.65 59.39 3h3v s ILE 795 Cb -0.08 -0.49 -0.09 0.00 -1.06 0.00 0.00 42.46 40.74 3h3v s ILE 795 CO 0.04 0.11 1.81 -0.22 -0.10 0.00 0.00 174.94 176.58 3h3v s LEU 796 N 2.03 4.39 0.00 2.97 2.96 -0.44 0.07 118.68 130.66 3h3v s LEU 796 Ca 0.04 2.58 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 3h3v s LEU 796 Cb -0.13 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.01 3h3v s LEU 796 CO -0.05 -0.98 0.88 -1.22 -1.32 0.00 0.00 176.35 173.65 3h3v n TYR 797 N 6.60 0.00 -3.63 5.38 4.02 0.20 -3.71 117.16 126.02 3h3v n TYR 797 Ca 0.18 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.68 3h3v n TYR 797 Cb 0.41 -0.42 -0.09 0.00 -0.02 0.00 0.00 39.34 39.21 3h3v n TYR 797 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3h3v s TYR 798 N -2.87 3.49 0.93 -0.72 4.12 -1.26 -5.08 117.35 115.96 3h3v s TYR 798 Ca 0.00 -2.31 -0.16 0.00 0.02 0.00 0.00 57.07 54.62 3h3v s TYR 798 Cb 0.00 -3.37 0.24 0.00 -1.52 0.00 0.00 41.96 37.30 3h3v s TYR 798 CO 0.00 -0.93 0.66 -2.30 0.02 0.00 0.00 175.55 172.99 3h3v n PRO 799 N 4.21 -3.33 0.00 -1.71 -0.02 -1.24 -4.88 135.00 128.03 3h3v n PRO 799 Ca 0.02 -1.08 0.00 0.00 -2.02 0.00 0.00 63.50 60.42 3h3v n PRO 799 Cb 0.40 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 3h3v n PRO 799 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3h3v n GLN 800 N -4.24 0.00 -1.59 -0.52 7.27 -1.12 -4.96 117.38 112.22 3h3v n GLN 800 Ca 0.10 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.80 3h3v n GLN 800 Cb 0.40 0.00 0.07 0.00 2.41 0.00 0.00 30.24 33.12 3h3v n GLN 800 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 3h3v n LYS 801 N 0.00 0.85 -2.05 3.69 2.85 -1.26 -4.41 118.16 117.82 3h3v n LYS 801 Ca 0.00 0.34 -0.33 0.00 -1.05 0.00 0.00 58.31 57.27 3h3v n LYS 801 Cb 0.00 -2.29 0.01 0.00 -0.65 0.00 0.00 35.03 32.10 3h3v n LYS 801 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3h3v s PRO 802 N -3.10 3.26 0.13 -1.58 0.04 -1.26 -4.74 135.00 127.75 3h3v s PRO 802 Ca 0.78 1.29 0.02 0.00 0.04 0.00 0.00 61.00 63.12 3h3v s PRO 802 Cb -0.39 -2.02 -0.13 0.00 0.04 0.00 0.00 34.50 32.01 3h3v s PRO 802 CO 0.45 -0.87 1.29 -0.07 0.04 0.00 0.00 177.00 177.84 3h3v h LEU 803 N 0.52 0.25 -9.59 -3.56 3.38 -1.93 -3.43 115.31 100.94 3h3v h LEU 803 Ca -0.47 -0.23 -0.64 0.00 0.09 0.00 0.00 57.88 56.63 3h3v h LEU 803 Cb 1.23 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 3h3v h LEU 803 CO 0.57 1.10 -0.38 -0.83 0.09 0.00 0.00 178.44 178.99 3h3v s GLY 804 N -4.59 2.25 0.24 0.83 0.00 -1.26 -2.25 107.32 102.53 3h3v s GLY 804 Ca -0.02 -0.50 -0.08 0.00 0.00 0.00 0.00 44.72 44.12 3h3v s GLY 804 CO 0.84 -0.10 0.36 -0.51 0.00 0.00 0.00 173.10 173.69 3h3v s THR 805 N -0.79 0.00 0.05 0.90 -4.23 -0.44 -4.89 115.64 106.24 3h3v s THR 805 Ca 0.17 -1.62 0.06 0.00 -1.18 0.00 0.00 61.69 59.13 3h3v s THR 805 Cb -0.13 -2.33 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 3h3v s THR 805 CO 0.06 0.00 -0.14 -0.89 -0.54 0.00 0.00 174.62 173.12 3h3v s THR 806 N -4.01 3.12 0.50 3.99 2.01 -1.26 0.25 115.64 120.23 3h3v s THR 806 Ca 0.28 -1.12 0.33 0.00 0.31 0.00 0.00 61.69 61.49 3h3v s THR 806 Cb 0.02 -2.36 0.36 0.00 0.01 0.00 0.00 72.50 70.52 3h3v s THR 806 CO 0.11 0.29 2.19 0.03 -0.69 0.00 0.00 174.62 176.55 3h3v h ARG 807 N 4.30 0.00 -0.19 4.92 2.47 -1.96 -2.12 114.38 121.80 3h3v h ARG 807 Ca -0.48 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.20 3h3v h ARG 807 Cb 1.16 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.47 3h3v h ARG 807 CO 0.50 0.05 -0.02 0.00 0.56 0.00 0.00 179.97 181.06 3h3v h ALA 808 N 1.95 0.26 -0.94 0.04 0.00 -1.92 -3.12 119.26 115.53 3h3v h ALA 808 Ca -0.00 -0.22 0.28 0.00 0.00 0.00 0.00 54.91 54.97 3h3v h ALA 808 Cb 0.18 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 17.74 3h3v h ALA 808 CO 0.01 -0.00 0.22 0.52 0.00 0.00 0.00 179.25 180.00 3h3v h MET 809 N 0.09 0.11 -0.76 0.00 2.86 -1.66 -0.38 114.93 115.18 3h3v h MET 809 Ca 0.05 -0.01 0.26 0.00 -2.06 0.00 0.00 59.70 57.94 3h3v h MET 809 Cb 0.43 -0.02 -0.14 0.00 0.06 0.00 0.00 31.60 31.93 3h3v h MET 809 CO 0.01 0.07 0.19 -1.91 1.06 0.00 0.00 176.91 176.33 3h3v n GLU 810 N -5.32 -0.05 0.10 1.72 2.13 -1.18 0.74 120.64 118.77 3h3v n GLU 810 Ca 0.25 1.10 0.09 0.00 0.66 0.00 0.00 57.16 59.26 3h3v n GLU 810 Cb 0.81 -1.85 -0.01 0.00 0.27 0.00 0.00 31.44 30.67 3h3v n GLU 810 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 3h3v h TYR 811 N 0.00 0.00 -0.10 4.31 -1.99 -1.27 -3.23 116.97 114.69 3h3v h TYR 811 Ca 0.54 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.27 3h3v h TYR 811 Cb 1.28 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.01 3h3v h TYR 811 CO -0.22 0.14 0.00 1.28 -0.00 0.00 0.00 178.16 179.35 3h3v n LEU 812 N -2.76 0.95 -3.66 3.88 4.77 0.23 -4.92 117.00 115.49 3h3v n LEU 812 Ca -0.02 -0.40 -0.21 0.00 -0.03 0.00 0.00 56.01 55.35 3h3v n LEU 812 Cb 0.62 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.68 3h3v n LEU 812 CO 0.40 0.20 -0.05 0.29 -1.33 0.00 0.00 177.39 176.90 3h3v n LYS 813 N -0.15 -4.61 0.01 3.23 4.76 -0.39 -4.71 118.16 116.30 3h3v n LYS 813 Ca 0.15 0.63 -0.18 0.00 -2.87 0.00 0.00 58.31 56.05 3h3v n LYS 813 Cb 0.21 -5.18 -0.13 0.00 -1.84 0.00 0.00 35.03 28.09 3h3v n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3h3v h PHE 814 N -1.83 0.40 -0.42 2.13 3.57 -1.78 -2.88 116.94 116.12 3h3v h PHE 814 Ca -0.61 -0.27 0.12 0.00 3.53 0.00 0.00 57.97 60.74 3h3v h PHE 814 Cb 1.35 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 3h3v h PHE 814 CO 0.45 1.16 0.46 0.00 -2.23 0.00 0.00 178.31 178.16 3h3v h ARG 815 N -0.48 0.00 0.03 1.11 3.08 -1.92 -1.99 114.38 114.21 3h3v h ARG 815 Ca -0.09 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.80 3h3v h ARG 815 Cb 1.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 3h3v h ARG 815 CO 0.10 0.00 -0.85 0.93 -1.07 0.00 0.00 179.97 179.08 3h3v h GLU 816 N 0.00 0.07 -2.28 0.04 3.07 -1.96 -3.43 114.58 110.10 3h3v h GLU 816 Ca 0.20 -0.12 -0.59 0.00 -0.50 0.00 0.00 59.36 58.35 3h3v h GLU 816 Cb 1.13 0.04 -0.41 0.00 -0.84 0.00 0.00 28.75 28.67 3h3v h GLU 816 CO -0.00 1.06 -0.70 1.28 -1.40 0.00 0.00 179.01 179.25 3h3v n LEU 817 N -4.36 2.87 -4.31 1.33 4.77 -0.84 -5.06 117.00 111.40 3h3v n LEU 817 Ca -0.22 -5.24 -0.30 0.00 -0.03 0.00 0.00 56.01 50.22 3h3v n LEU 817 Cb 0.67 -0.40 0.21 0.00 -2.33 0.00 0.00 43.42 41.57 3h3v n LEU 817 CO 0.30 2.02 -0.13 -0.81 -1.33 0.00 0.00 177.39 177.44 3h3v n PRO 818 N 1.16 -2.22 0.00 3.23 -0.04 -0.81 -4.65 135.00 131.67 3h3v n PRO 818 Ca 0.27 -0.63 0.05 0.00 -0.04 0.00 0.00 63.50 63.14 3h3v n PRO 818 Cb 0.43 -1.84 0.01 0.00 -0.04 0.00 0.00 33.50 32.05 3h3v n PRO 818 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h3v n ALA 819 N -4.74 2.74 0.00 0.55 0.00 -1.26 -3.90 120.51 113.90 3h3v n ALA 819 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3h3v n ALA 819 Cb 0.58 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3h3v n ALA 819 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3v n GLY 820 N 0.81 -0.84 3.25 0.00 0.00 -1.26 -4.23 105.19 102.91 3h3v n GLY 820 Ca 0.04 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 3h3v n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h3v s GLN 821 N -0.00 0.57 -0.65 1.61 -0.21 -1.09 -2.79 119.66 117.10 3h3v s GLN 821 Ca 0.00 0.14 -0.27 0.00 0.02 0.00 0.00 55.36 55.25 3h3v s GLN 821 Cb 0.00 0.26 0.02 0.00 1.00 0.00 0.00 33.01 34.29 3h3v s GLN 821 CO 0.00 -0.13 1.38 -0.80 -2.12 0.00 0.00 175.29 173.62 3h3v s ASN 822 N -0.63 6.09 -0.13 5.90 0.01 -1.26 -0.56 114.94 124.37 3h3v s ASN 822 Ca -0.07 -0.06 -0.06 0.00 -0.71 0.00 0.00 52.86 51.96 3h3v s ASN 822 Cb -0.04 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 3h3v s ASN 822 CO 0.03 -1.81 0.09 0.00 -1.51 0.00 0.00 177.10 173.89 3h3v s ALA 823 N 6.11 3.62 -0.86 0.60 0.00 0.13 -4.75 121.76 126.62 3h3v s ALA 823 Ca 0.45 -0.71 -0.25 0.00 0.00 0.00 0.00 51.96 51.45 3h3v s ALA 823 Cb -0.09 -1.85 -0.08 0.00 0.00 0.00 0.00 23.12 21.10 3h3v s ALA 823 CO 0.20 0.50 2.10 0.42 0.00 0.00 0.00 175.76 178.97 3h3v s ILE 824 N -0.63 3.30 0.50 0.00 -1.09 -1.26 -2.34 121.20 119.68 3h3v s ILE 824 Ca 0.12 -0.24 -0.08 0.00 -2.23 0.00 0.00 60.65 58.22 3h3v s ILE 824 Cb -0.12 -3.68 0.12 0.00 -1.58 0.00 0.00 42.46 37.20 3h3v s ILE 824 CO 0.02 -0.65 0.27 0.52 -1.23 0.00 0.00 174.94 173.88 3h3v n VAL 825 N 8.16 0.00 0.00 2.92 0.31 -0.92 -0.39 118.33 128.41 3h3v n VAL 825 Ca 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 3h3v n VAL 825 Cb 0.46 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 3h3v n VAL 825 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h3v n ALA 826 N -3.53 0.00 -1.53 3.52 0.00 -1.25 -3.90 120.51 113.81 3h3v n ALA 826 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 3h3v n ALA 826 Cb 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.52 3h3v n ALA 826 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3h3v n ILE 827 N 0.00 -0.03 -3.74 0.00 5.41 -1.07 -4.17 119.36 115.76 3h3v n ILE 827 Ca 0.00 -0.46 -0.03 0.00 1.00 0.00 0.00 62.75 63.26 3h3v n ILE 827 Cb 0.00 -1.42 -0.01 0.00 -0.71 0.00 0.00 39.64 37.50 3h3v n ILE 827 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h3v s ALA 828 N 9.45 -1.73 -0.14 -1.39 0.00 -0.65 -3.72 121.76 123.58 3h3v s ALA 828 Ca 1.14 0.17 -0.15 0.00 0.00 0.00 0.00 51.96 53.12 3h3v s ALA 828 Cb -0.59 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3h3v s ALA 828 CO 0.34 -1.05 0.36 0.00 0.00 0.00 0.00 175.76 175.41 3h3v s TYR 830 N 0.50 -0.37 0.00 0.00 5.04 -1.26 -5.02 117.35 116.24 3h3v s TYR 830 Ca 0.20 0.90 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 3h3v s TYR 830 Cb -0.14 0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.30 3h3v s TYR 830 CO 0.06 -0.18 0.00 -1.13 -1.34 0.00 0.00 175.55 172.96 3h3v n SER 831 N 2.98 0.00 0.00 4.32 3.41 -1.26 -3.63 113.62 119.44 3h3v n SER 831 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 3h3v n SER 831 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3h3v n SER 831 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h3v n GLY 832 N 0.00 0.00 0.07 5.00 0.00 -1.26 -5.01 105.19 103.99 3h3v n GLY 832 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3h3v n GLY 832 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h3v n TYR 833 N 0.00 0.41 1.48 1.61 4.02 -1.24 -3.85 117.16 119.60 3h3v n TYR 833 Ca 0.00 0.13 0.12 0.00 -0.01 0.00 0.00 57.90 58.14 3h3v n TYR 833 Cb 0.00 -0.86 0.71 0.00 -0.02 0.00 0.00 39.34 39.17 3h3v n TYR 833 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3h3v n ASN 834 N -2.63 0.00 -4.01 7.72 6.94 -1.25 -4.57 115.26 117.47 3h3v n ASN 834 Ca -0.13 -0.71 -0.29 0.00 -0.02 0.00 0.00 54.58 53.43 3h3v n ASN 834 Cb 0.80 -0.02 0.26 0.00 -2.36 0.00 0.00 39.78 38.46 3h3v n ASN 834 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3h3v s GLN 835 N -2.04 -1.68 -0.89 -3.83 0.74 -1.24 -3.54 119.66 107.19 3h3v s GLN 835 Ca 0.35 0.38 -0.11 0.00 0.05 0.00 0.00 55.36 56.04 3h3v s GLN 835 Cb 0.17 -1.50 0.11 0.00 1.10 0.00 0.00 33.01 32.89 3h3v s GLN 835 CO 0.28 -4.11 0.28 0.39 -0.55 0.00 0.00 175.29 171.58 3h3v n GLU 836 N -5.12 -1.39 -2.39 1.67 -0.58 -1.26 -1.98 120.64 109.58 3h3v n GLU 836 Ca 0.08 0.07 -0.04 0.00 -0.42 0.00 0.00 57.16 56.85 3h3v n GLU 836 Cb 0.58 -3.40 0.02 0.00 -0.57 0.00 0.00 31.44 28.07 3h3v n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3h3v n ASP 837 N -1.41 -2.23 -3.84 1.62 8.00 -1.26 -5.03 116.55 112.40 3h3v n ASP 837 Ca 0.06 -0.12 -0.12 0.00 0.71 0.00 0.00 54.79 55.32 3h3v n ASP 837 Cb 0.34 -1.39 -0.11 0.00 -0.02 0.00 0.00 41.12 39.94 3h3v n ASP 837 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3h3v s SER 838 N -3.21 -0.09 -0.08 -2.24 1.04 -0.84 -3.16 113.70 105.12 3h3v s SER 838 Ca 0.03 0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.59 3h3v s SER 838 Cb -0.01 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.38 3h3v s SER 838 CO 0.14 -0.20 -0.13 0.00 0.98 0.00 0.00 173.24 174.03 3h3v s MET 839 N -0.55 2.90 -0.08 4.02 0.23 0.10 -3.69 119.30 122.22 3h3v s MET 839 Ca -0.06 -0.68 -0.30 0.00 -1.03 0.00 0.00 55.69 53.62 3h3v s MET 839 Cb -0.04 -2.50 -0.04 0.00 -1.53 0.00 0.00 34.83 30.71 3h3v s MET 839 CO 0.01 0.46 1.50 0.42 -2.03 0.00 0.00 175.02 175.37 3h3v s ILE 840 N -0.28 3.82 -0.17 3.16 1.01 -1.22 -3.26 121.20 124.25 3h3v s ILE 840 Ca 0.02 1.02 -0.01 0.00 0.00 0.00 0.00 60.65 61.68 3h3v s ILE 840 Cb -0.13 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 3h3v s ILE 840 CO 0.03 -0.08 -0.12 -0.32 0.00 0.00 0.00 174.94 174.44 3h3v s MET 841 N 3.69 3.28 0.15 2.79 1.75 -0.99 -2.16 119.30 127.81 3h3v s MET 841 Ca 0.66 -0.71 -0.34 0.00 -1.25 0.00 0.00 55.69 54.06 3h3v s MET 841 Cb -0.29 -2.72 -0.15 0.00 2.84 0.00 0.00 34.83 34.50 3h3v s MET 841 CO 0.24 -0.02 1.31 -1.71 -0.65 0.00 0.00 175.02 174.20 3h3v n ASN 842 N 4.19 1.88 -0.06 1.11 5.15 -0.08 -2.46 115.26 124.97 3h3v n ASN 842 Ca -0.19 1.13 -0.08 0.00 -0.60 0.00 0.00 54.58 54.84 3h3v n ASN 842 Cb 0.52 -1.27 -0.06 0.00 -0.53 0.00 0.00 39.78 38.44 3h3v n ASN 842 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 3h3v h GLN 843 N 4.22 0.00 0.00 1.20 5.75 0.69 -3.20 115.11 123.76 3h3v h GLN 843 Ca -0.45 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 3h3v h GLN 843 Cb 1.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.87 3h3v h GLN 843 CO 0.76 0.48 0.00 0.43 -2.65 0.00 0.00 178.83 177.85 3h3v n SER 844 N -4.67 0.00 -0.13 -0.69 7.64 -1.21 0.37 113.62 114.94 3h3v n SER 844 Ca -0.08 0.78 0.28 0.00 1.01 0.00 0.00 58.87 60.86 3h3v n SER 844 Cb 0.28 -0.39 0.66 0.00 -1.01 0.00 0.00 64.21 63.76 3h3v n SER 844 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3h3v h SER 845 N 0.00 0.00 -0.22 6.43 4.64 -1.90 0.79 113.55 123.28 3h3v h SER 845 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3h3v h SER 845 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3h3v h SER 845 CO 0.00 0.00 -0.42 0.40 -0.87 0.00 0.00 176.83 175.94 3h3v h ILE 846 N 0.00 1.29 0.14 0.95 2.04 0.68 0.13 117.51 122.74 3h3v h ILE 846 Ca 0.40 -1.60 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 3h3v h ILE 846 Cb 2.01 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 3h3v h ILE 846 CO -0.00 0.52 -0.07 0.44 0.00 0.00 0.00 178.15 179.04 3h3v h ASP 847 N 0.63 -0.16 0.00 1.72 3.32 0.27 -0.73 116.42 121.48 3h3v h ASP 847 Ca 0.05 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3h3v h ASP 847 Cb 0.98 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3h3v h ASP 847 CO 0.09 0.05 0.00 0.54 -1.72 0.00 0.00 179.24 178.20 3h3v n ARG 848 N -5.09 0.00 -0.16 3.56 1.74 -0.96 -4.66 116.66 111.08 3h3v n ARG 848 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3h3v n ARG 848 Cb 0.16 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 3h3v n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h3v n GLY 849 N -0.73 0.92 3.64 -0.13 0.00 -0.30 -5.04 105.19 103.55 3h3v n GLY 849 Ca 0.00 -0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 3h3v n GLY 849 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h3v n LEU 850 N 0.00 2.56 -0.61 0.99 7.94 0.47 -1.52 117.00 126.82 3h3v n LEU 850 Ca 0.00 1.12 -0.07 0.00 -1.11 0.00 0.00 56.01 55.95 3h3v n LEU 850 Cb 0.00 -1.35 -0.03 0.00 0.53 0.00 0.00 43.42 42.57 3h3v n LEU 850 CO 0.00 -0.68 -0.06 0.49 -1.11 0.00 0.00 177.39 176.03 3h3v n PHE 851 N 2.37 -0.10 -2.07 1.96 3.01 -1.26 -4.69 117.46 116.67 3h3v n PHE 851 Ca 0.15 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.21 3h3v n PHE 851 Cb 0.27 -2.17 -0.01 0.00 -0.01 0.00 0.00 39.48 37.56 3h3v n PHE 851 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3h3v s ARG 852 N -2.29 4.11 0.06 -1.08 0.52 -0.58 -4.60 118.95 115.10 3h3v s ARG 852 Ca 0.00 2.18 0.01 0.00 -0.52 0.00 0.00 55.73 57.40 3h3v s ARG 852 Cb 0.00 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 3h3v s ARG 852 CO 0.00 -0.38 -0.06 -1.54 0.02 0.00 0.00 175.30 173.34 3h3v s SER 853 N -0.64 0.79 0.33 0.23 1.04 -1.12 -0.62 113.70 113.71 3h3v s SER 853 Ca 0.54 -0.81 -0.01 0.00 0.48 0.00 0.00 55.95 56.15 3h3v s SER 853 Cb -0.39 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.80 3h3v s SER 853 CO 0.50 -0.40 0.55 -0.76 0.98 0.00 0.00 173.24 174.11 3h3v s LEU 854 N -2.40 4.02 -0.11 2.42 1.43 0.11 -2.07 118.68 122.08 3h3v s LEU 854 Ca 0.01 0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.58 3h3v s LEU 854 Cb -0.00 -3.36 0.05 0.00 0.03 0.00 0.00 46.19 42.91 3h3v s LEU 854 CO -0.04 -0.27 0.11 0.12 0.23 0.00 0.00 176.35 176.50 3h3v s PHE 855 N -2.26 0.02 0.38 0.29 5.36 -0.14 -2.44 117.98 119.19 3h3v s PHE 855 Ca 0.41 0.14 0.08 0.00 -0.96 0.00 0.00 56.93 56.59 3h3v s PHE 855 Cb -0.10 -0.49 -0.02 0.00 -0.34 0.00 0.00 43.02 42.07 3h3v s PHE 855 CO 0.35 -0.35 0.34 -0.06 -1.46 0.00 0.00 175.22 174.03 3h3v s PHE 856 N 2.20 2.81 -0.21 10.12 0.40 0.20 -1.68 117.98 131.81 3h3v s PHE 856 Ca 0.04 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.68 3h3v s PHE 856 Cb -0.14 -1.99 0.15 0.00 0.51 0.00 0.00 43.02 41.55 3h3v s PHE 856 CO -0.06 0.03 1.12 0.50 0.70 0.00 0.00 175.22 177.50 3h3v s ARG 857 N -4.07 0.42 -0.24 0.44 3.52 -1.14 -2.47 118.95 115.41 3h3v s ARG 857 Ca 0.45 0.13 -0.03 0.00 -0.13 0.00 0.00 55.73 56.15 3h3v s ARG 857 Cb -0.05 0.20 0.12 0.00 -1.56 0.00 0.00 34.95 33.66 3h3v s ARG 857 CO 0.27 -0.12 0.32 -1.54 -0.81 0.00 0.00 175.30 173.42 3h3v s SER 858 N -0.95 0.72 1.17 -2.12 1.04 -1.26 -0.83 113.70 111.47 3h3v s SER 858 Ca 0.02 -0.01 -0.13 0.00 0.48 0.00 0.00 55.95 56.30 3h3v s SER 858 Cb -0.01 0.83 0.20 0.00 0.10 0.00 0.00 66.02 67.14 3h3v s SER 858 CO -0.02 -0.32 0.69 -1.22 0.98 0.00 0.00 173.24 173.35 3h3v n TYR 859 N 5.35 -3.54 -3.57 5.02 4.02 -0.73 -4.60 117.16 119.12 3h3v n TYR 859 Ca -0.04 -0.62 -0.06 0.00 -0.01 0.00 0.00 57.90 57.16 3h3v n TYR 859 Cb 0.50 -0.73 -0.03 0.00 -0.02 0.00 0.00 39.34 39.06 3h3v n TYR 859 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 3h3v s MET 860 N -4.56 0.50 0.00 -0.72 1.75 -1.26 -2.88 119.30 112.13 3h3v s MET 860 Ca 0.45 -0.13 -0.28 0.00 -1.25 0.00 0.00 55.69 54.48 3h3v s MET 860 Cb -0.05 0.23 0.10 0.00 2.84 0.00 0.00 34.83 37.95 3h3v s MET 860 CO 0.35 -0.21 0.86 0.34 -0.65 0.00 0.00 175.02 175.70 3h3v s ASP 861 N -2.05 -0.40 0.03 1.11 -1.08 -0.52 -5.02 116.67 108.74 3h3v s ASP 861 Ca 0.06 0.05 -0.03 0.00 -0.52 0.00 0.00 52.55 52.11 3h3v s ASP 861 Cb -0.01 0.41 -0.02 0.00 -1.46 0.00 0.00 42.92 41.84 3h3v s ASP 861 CO -0.05 -0.64 0.03 -1.10 0.52 0.00 0.00 175.17 173.92 3h3v s GLN 862 N -3.01 0.47 -0.73 4.34 -0.21 -1.26 -0.78 119.66 118.48 3h3v s GLN 862 Ca 0.04 -0.74 -0.27 0.00 0.02 0.00 0.00 55.36 54.41 3h3v s GLN 862 Cb -0.01 0.17 0.03 0.00 1.00 0.00 0.00 33.01 34.21 3h3v s GLN 862 CO -0.08 -0.10 1.25 -1.21 -2.12 0.00 0.00 175.29 173.03 3h3v s GLU 863 N -2.26 3.19 -0.41 2.91 2.02 -1.17 -4.96 118.70 118.03 3h3v s GLU 863 Ca -0.08 -0.27 -0.27 0.00 0.02 0.00 0.00 54.97 54.36 3h3v s GLU 863 Cb -0.04 -4.18 -0.03 0.00 0.10 0.00 0.00 34.13 29.98 3h3v s GLU 863 CO -0.03 -2.11 2.01 0.15 0.02 0.00 0.00 175.26 175.29 3h3v s LYS 864 N 5.58 2.89 0.44 1.61 1.02 -1.26 -4.74 119.74 125.28 3h3v s LYS 864 Ca 0.34 1.34 -0.07 0.00 0.02 0.00 0.00 55.97 57.60 3h3v s LYS 864 Cb -0.09 -4.35 -0.05 0.00 -0.52 0.00 0.00 37.83 32.82 3h3v s LYS 864 CO 0.15 -2.39 0.77 0.21 -0.92 0.00 0.00 175.35 173.17 3h3v s LYS 865 N 6.62 3.64 -0.05 1.68 2.36 -1.26 -4.05 119.74 128.68 3h3v s LYS 865 Ca 0.84 0.30 0.05 0.00 -2.55 0.00 0.00 55.97 54.61 3h3v s LYS 865 Cb -0.21 -2.40 -0.01 0.00 -1.05 0.00 0.00 37.83 34.17 3h3v s LYS 865 CO 0.29 -0.12 -0.20 0.71 1.55 0.00 0.00 175.35 177.58 3h3v s TYR 866 N -2.56 2.01 0.38 4.03 1.51 -0.89 -5.01 117.35 116.82 3h3v s TYR 866 Ca 0.49 -0.60 0.30 0.00 -1.01 0.00 0.00 57.07 56.25 3h3v s TYR 866 Cb -0.10 -1.34 1.27 0.00 -0.11 0.00 0.00 41.96 41.68 3h3v s TYR 866 CO 0.39 -0.20 1.29 0.41 -1.11 0.00 0.00 175.55 176.33 3h3v n GLY 867 N 3.09 -0.72 2.76 0.71 0.00 -1.26 -1.95 105.19 107.83 3h3v n GLY 867 Ca -0.18 0.62 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 3h3v n GLY 867 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3h3v n MET 868 N -4.20 5.02 -3.38 1.61 2.81 -1.26 -4.90 117.12 112.83 3h3v n MET 868 Ca 0.34 -4.52 -0.15 0.00 -1.81 0.00 0.00 57.70 51.56 3h3v n MET 868 Cb 1.37 -2.51 -0.05 0.00 -0.71 0.00 0.00 33.22 31.32 3h3v n MET 868 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3h3v n SER 869 N 0.64 0.46 -4.13 7.83 7.64 -0.82 -4.93 113.62 120.31 3h3v n SER 869 Ca 0.41 -0.62 -0.34 0.00 1.01 0.00 0.00 58.87 59.33 3h3v n SER 869 Cb 0.29 -0.77 -0.14 0.00 -1.01 0.00 0.00 64.21 62.58 3h3v n SER 869 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3h3v s ILE 870 N -3.67 2.79 0.28 0.44 1.01 -1.22 -4.99 121.20 115.84 3h3v s ILE 870 Ca 0.00 -1.62 0.11 0.00 0.00 0.00 0.00 60.65 59.14 3h3v s ILE 870 Cb -0.00 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 3h3v s ILE 870 CO 0.48 -0.22 -0.18 -0.89 0.00 0.00 0.00 174.94 174.14 3h3v s THR 871 N 1.17 2.36 0.59 2.92 2.01 -1.26 -2.11 115.64 121.32 3h3v s THR 871 Ca -0.03 -2.35 0.05 0.00 0.31 0.00 0.00 61.69 59.67 3h3v s THR 871 Cb -0.20 -2.33 0.08 0.00 0.01 0.00 0.00 72.50 70.06 3h3v s THR 871 CO -0.03 -0.39 0.81 -1.61 -0.69 0.00 0.00 174.62 172.72 3h3v s GLU 872 N -3.54 2.24 0.11 4.92 2.02 -1.26 -4.39 118.70 118.79 3h3v s GLU 872 Ca 0.30 -1.30 -0.24 0.00 0.02 0.00 0.00 54.97 53.75 3h3v s GLU 872 Cb -0.03 -2.55 0.06 0.00 0.10 0.00 0.00 34.13 31.71 3h3v s GLU 872 CO 0.14 -0.92 0.59 0.99 0.02 0.00 0.00 175.26 176.08 3h3v s THR 873 N -2.77 0.01 -0.71 3.63 2.01 -0.50 -4.86 115.64 112.45 3h3v s THR 873 Ca 0.61 -0.08 -0.17 0.00 0.31 0.00 0.00 61.69 62.37 3h3v s THR 873 Cb -0.07 -1.01 0.15 0.00 0.01 0.00 0.00 72.50 71.58 3h3v s THR 873 CO 0.39 -0.04 0.75 -0.36 -0.69 0.00 0.00 174.62 174.67 3h3v s PHE 874 N -3.13 3.32 0.28 4.92 0.40 -1.24 0.28 117.98 122.82 3h3v s PHE 874 Ca -0.02 -1.43 0.03 0.00 -0.60 0.00 0.00 56.93 54.92 3h3v s PHE 874 Cb -0.01 -3.95 -0.01 0.00 0.51 0.00 0.00 43.02 39.56 3h3v s PHE 874 CO -0.07 -1.17 0.13 -0.85 0.70 0.00 0.00 175.22 173.95 3h3v n GLU 875 N 5.38 0.60 -3.39 0.44 0.28 0.12 -3.83 120.64 120.23 3h3v n GLU 875 Ca 0.02 -2.49 -0.39 0.00 -0.16 0.00 0.00 57.16 54.14 3h3v n GLU 875 Cb 0.44 1.49 -0.03 0.00 1.43 0.00 0.00 31.44 34.78 3h3v n GLU 875 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3h3v n LYS 876 N -0.62 3.29 -0.73 3.44 4.81 -1.26 -4.28 118.16 122.81 3h3v n LYS 876 Ca -0.02 -4.52 -0.32 0.00 -0.87 0.00 0.00 58.31 52.58 3h3v n LYS 876 Cb 0.44 -2.45 0.15 0.00 0.02 0.00 0.00 35.03 33.19 3h3v n LYS 876 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3h3v n PRO 877 N 2.00 -0.86 -3.65 1.64 -0.04 -1.26 -5.07 135.00 127.76 3h3v n PRO 877 Ca 0.24 -0.22 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 3h3v n PRO 877 Cb 0.37 -1.85 -0.07 0.00 -0.04 0.00 0.00 33.50 31.91 3h3v n PRO 877 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3h3v s GLN 878 N -3.67 0.07 0.00 0.54 1.03 -1.26 -5.06 119.66 111.31 3h3v s GLN 878 Ca 0.58 0.10 0.00 0.00 0.04 0.00 0.00 55.36 56.07 3h3v s GLN 878 Cb -0.18 0.03 0.00 0.00 0.03 0.00 0.00 33.01 32.89 3h3v s GLN 878 CO 0.66 -0.01 0.00 0.54 -2.54 0.00 0.00 175.29 173.94 3h3v n ARG 879 N 1.98 0.00 -2.57 9.60 5.12 -1.26 -4.89 116.66 124.64 3h3v n ARG 879 Ca -0.12 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.73 3h3v n ARG 879 Cb 0.57 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.90 3h3v n ARG 879 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3h3v n THR 880 N 0.00 -2.87 0.00 0.55 -1.04 -1.26 -4.15 114.28 105.51 3h3v n THR 880 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 3h3v n THR 880 Cb 0.00 -3.72 0.00 0.00 -1.82 0.00 0.00 70.33 64.79 3h3v n THR 880 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3h3v n ASN 881 N -1.97 0.00 -0.08 8.00 3.02 -1.26 -3.35 115.26 119.61 3h3v n ASN 881 Ca -0.11 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.62 3h3v n ASN 881 Cb 0.57 0.00 0.60 0.00 -0.61 0.00 0.00 39.78 40.34 3h3v n ASN 881 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3h3v h THR 882 N 0.00 0.76 0.00 3.41 2.02 -1.81 -3.45 112.91 113.85 3h3v h THR 882 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3h3v h THR 882 Cb 0.00 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3h3v h THR 882 CO 0.00 0.04 0.00 0.18 0.37 0.00 0.00 175.52 176.11 3h3v n LEU 883 N -4.42 0.43 -3.02 2.58 4.77 -1.23 -4.75 117.00 111.36 3h3v n LEU 883 Ca 0.12 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.93 3h3v n LEU 883 Cb 0.58 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.52 3h3v n LEU 883 CO 0.35 -0.36 2.01 0.54 -1.33 0.00 0.00 177.39 178.60 3h3v n ARG 884 N 0.18 1.69 -3.46 3.23 5.12 -1.23 -4.84 116.66 117.35 3h3v n ARG 884 Ca 0.00 -1.20 -0.21 0.00 -1.93 0.00 0.00 57.85 54.50 3h3v n ARG 884 Cb 0.14 -2.29 0.00 0.00 -1.16 0.00 0.00 32.46 29.15 3h3v n ARG 884 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 3h3v s MET 885 N 3.38 2.44 0.00 5.56 -1.94 -1.26 -0.05 119.30 127.42 3h3v s MET 885 Ca 0.34 -1.65 0.00 0.00 -1.71 0.00 0.00 55.69 52.67 3h3v s MET 885 Cb 0.10 -2.41 0.00 0.00 2.01 0.00 0.00 34.83 34.53 3h3v s MET 885 CO -0.02 -0.47 0.00 1.63 -0.01 0.00 0.00 175.02 176.15 3h3v n LYS 886 N -1.80 2.53 0.00 2.03 4.76 -1.26 -4.98 118.16 119.43 3h3v n LYS 886 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 3h3v n LYS 886 Cb 0.62 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.81 3h3v n LYS 886 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3h3v n HIS 887 N -0.01 0.00 0.00 2.13 8.25 -1.26 -5.08 115.22 119.26 3h3v n HIS 887 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3h3v n HIS 887 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3h3v n HIS 887 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h3v n GLY 888 N 3.00 -2.51 3.30 -1.41 0.00 -1.26 -5.02 105.19 101.30 3h3v n GLY 888 Ca 0.00 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 3h3v n GLY 888 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h3v s THR 889 N 0.00 2.36 -0.70 2.61 2.01 -1.26 -4.93 115.64 115.73 3h3v s THR 889 Ca 0.00 -0.94 0.23 0.00 0.31 0.00 0.00 61.69 61.29 3h3v s THR 889 Cb 0.00 -1.91 -0.11 0.00 0.01 0.00 0.00 72.50 70.49 3h3v s THR 889 CO 0.00 0.56 1.06 -1.22 -0.69 0.00 0.00 174.62 174.33 3h3v n TYR 890 N 3.16 0.20 0.19 4.92 4.02 -1.26 -2.42 117.16 125.98 3h3v n TYR 890 Ca -0.18 0.06 0.14 0.00 -0.01 0.00 0.00 57.90 57.91 3h3v n TYR 890 Cb 0.52 -0.37 0.51 0.00 -0.02 0.00 0.00 39.34 39.99 3h3v n TYR 890 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3h3v h ASP 891 N 0.00 0.00 -0.14 7.72 3.32 -1.98 1.20 116.42 126.54 3h3v h ASP 891 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h3v h ASP 891 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3h3v h ASP 891 CO 0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 3h3v n LYS 892 N -3.01 1.57 -3.73 3.56 5.02 -1.26 -4.80 118.16 115.51 3h3v n LYS 892 Ca 0.05 -0.85 -0.36 0.00 -2.02 0.00 0.00 58.31 55.13 3h3v n LYS 892 Cb 0.80 -1.36 -0.08 0.00 -0.02 0.00 0.00 35.03 34.37 3h3v n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h3v s LEU 893 N -1.54 4.25 0.00 -0.35 1.43 0.41 -4.19 118.68 118.70 3h3v s LEU 893 Ca 0.30 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 3h3v s LEU 893 Cb 0.16 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3h3v s LEU 893 CO 0.24 0.21 0.00 0.47 0.23 0.00 0.00 176.35 177.50 3h3v n ASP 894 N 3.25 0.00 -0.01 2.29 9.92 -0.32 -4.87 116.55 126.82 3h3v n ASP 894 Ca -0.16 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.19 3h3v n ASP 894 Cb 0.52 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.88 3h3v n ASP 894 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3h3v n ASP 895 N 0.00 0.83 -0.06 -2.24 9.92 -1.26 -3.96 116.55 119.78 3h3v n ASP 895 Ca 0.00 -0.28 0.14 0.00 -0.53 0.00 0.00 54.79 54.13 3h3v n ASP 895 Cb 0.00 1.58 0.63 0.00 -0.64 0.00 0.00 41.12 42.69 3h3v n ASP 895 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3h3v n ASP 896 N -1.92 0.29 -1.01 -2.24 5.68 -1.26 -4.46 116.55 111.62 3h3v n ASP 896 Ca -0.01 -0.31 -0.00 0.00 -0.50 0.00 0.00 54.79 53.96 3h3v n ASP 896 Cb 0.42 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 3h3v n ASP 896 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h3v n GLY 897 N 1.32 0.47 3.31 6.12 0.00 -1.25 -4.41 105.19 110.75 3h3v n GLY 897 Ca 0.13 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 3h3v n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h3v s LEU 898 N -2.00 0.75 -0.10 0.99 1.43 -1.26 -2.50 118.68 115.98 3h3v s LEU 898 Ca 0.00 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.46 3h3v s LEU 898 Cb -0.00 1.54 -0.05 0.00 0.03 0.00 0.00 46.19 47.71 3h3v s LEU 898 CO 0.02 -0.84 0.30 -0.63 0.23 0.00 0.00 176.35 175.43 3h3v s ILE 899 N -3.85 5.25 0.48 -0.59 1.01 -1.26 -1.17 121.20 121.08 3h3v s ILE 899 Ca 0.06 0.59 -0.21 0.00 0.00 0.00 0.00 60.65 61.09 3h3v s ILE 899 Cb 0.03 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.80 3h3v s ILE 899 CO -0.09 0.49 1.07 0.00 0.00 0.00 0.00 174.94 176.42 3h3v s ALA 900 N -0.31 2.88 0.48 9.38 0.00 -1.26 -4.86 121.76 128.06 3h3v s ALA 900 Ca 0.19 0.71 0.29 0.00 0.00 0.00 0.00 51.96 53.15 3h3v s ALA 900 Cb -0.14 -3.29 1.38 0.00 0.00 0.00 0.00 23.12 21.06 3h3v s ALA 900 CO 0.07 -0.43 1.78 -1.35 0.00 0.00 0.00 175.76 175.83 3h3v h PRO 901 N 1.68 0.15 -0.56 0.00 0.11 -1.91 -2.51 132.00 128.95 3h3v h PRO 901 Ca -0.49 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 3h3v h PRO 901 Cb 1.23 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3h3v h PRO 901 CO 0.59 0.10 0.09 0.78 -0.21 0.00 0.00 178.00 179.35 3h3v h GLY 902 N 0.15 1.00 -4.18 -0.55 0.00 -1.91 -3.37 103.07 94.21 3h3v h GLY 902 Ca 0.59 -0.66 -0.58 0.00 0.00 0.00 0.00 47.33 46.68 3h3v h GLY 902 CO -0.14 0.61 -0.65 -0.62 0.00 0.00 0.00 176.54 175.75 3h3v n VAL 903 N -4.35 1.21 -3.63 4.60 0.31 -0.95 -4.65 118.33 110.88 3h3v n VAL 903 Ca 0.02 -0.45 -0.40 0.00 -0.01 0.00 0.00 64.34 63.51 3h3v n VAL 903 Cb 0.27 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.09 3h3v n VAL 903 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3h3v s ARG 904 N -0.89 2.60 -0.11 5.55 3.52 -1.26 -0.85 118.95 127.51 3h3v s ARG 904 Ca 0.55 -1.40 -0.13 0.00 -0.13 0.00 0.00 55.73 54.62 3h3v s ARG 904 Cb -0.71 -3.72 -0.05 0.00 -1.56 0.00 0.00 34.95 28.91 3h3v s ARG 904 CO 0.53 -0.90 0.31 0.14 -0.81 0.00 0.00 175.30 174.58 3h3v s VAL 905 N 1.42 5.25 0.00 7.11 -7.23 -0.90 -4.98 120.40 121.07 3h3v s VAL 905 Ca 0.02 0.61 0.00 0.00 -1.81 0.00 0.00 61.98 60.80 3h3v s VAL 905 Cb -0.22 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.09 3h3v s VAL 905 CO 0.02 0.47 0.00 -1.54 -0.31 0.00 0.00 175.10 173.74 3h3v n SER 906 N 2.89 0.00 0.00 4.85 3.41 -1.26 -1.97 113.62 121.54 3h3v n SER 906 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 3h3v n SER 906 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3h3v n SER 906 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h3v n GLY 907 N 5.00 0.00 0.37 5.00 0.00 -1.26 -4.47 105.19 109.83 3h3v n GLY 907 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3h3v n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h3v n GLU 908 N 0.00 1.01 -0.62 1.61 1.02 -1.26 -4.51 120.64 117.88 3h3v n GLU 908 Ca 0.00 -1.27 -0.20 0.00 -0.02 0.00 0.00 57.16 55.67 3h3v n GLU 908 Cb 0.00 -1.17 0.01 0.00 -0.02 0.00 0.00 31.44 30.26 3h3v n GLU 908 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h3v n ASP 909 N 0.38 -2.11 -4.26 1.62 5.68 -1.26 -2.74 116.55 113.86 3h3v n ASP 909 Ca 0.06 0.30 -0.29 0.00 -0.50 0.00 0.00 54.79 54.35 3h3v n ASP 909 Cb 0.26 -0.43 0.20 0.00 -1.14 0.00 0.00 41.12 40.01 3h3v n ASP 909 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3h3v s VAL 910 N -1.03 1.82 0.00 2.12 1.01 -1.01 -1.44 120.40 121.86 3h3v s VAL 910 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.26 3h3v s VAL 910 Cb -0.23 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.61 3h3v s VAL 910 CO 0.36 0.00 0.00 -0.38 0.00 0.00 0.00 175.10 175.08 3h3v n ILE 911 N -4.40 0.00 -3.67 2.22 5.41 0.13 -4.70 119.36 114.35 3h3v n ILE 911 Ca 0.09 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.75 3h3v n ILE 911 Cb 0.59 0.77 -0.09 0.00 -0.71 0.00 0.00 39.64 40.20 3h3v n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3h3v s ILE 912 N 0.00 -0.01 -0.56 1.39 1.01 -1.10 -4.07 121.20 117.86 3h3v s ILE 912 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 3h3v s ILE 912 Cb 0.00 -0.83 0.14 0.00 0.01 0.00 0.00 42.46 41.79 3h3v s ILE 912 CO 0.00 0.01 0.36 -0.83 0.00 0.00 0.00 174.94 174.48 3h3v s GLY 913 N 1.41 2.38 0.13 6.18 0.00 -1.04 -2.10 107.32 114.27 3h3v s GLY 913 Ca -0.09 -3.09 0.07 0.00 0.00 0.00 0.00 44.72 41.61 3h3v s GLY 913 CO -0.15 1.07 -0.08 1.25 0.00 0.00 0.00 173.10 175.19 3h3v s LYS 914 N 0.19 2.18 -0.01 2.90 2.20 -1.25 0.10 119.74 126.05 3h3v s LYS 914 Ca 0.15 -1.07 -0.04 0.00 -0.36 0.00 0.00 55.97 54.65 3h3v s LYS 914 Cb -0.21 -2.30 -0.00 0.00 -1.51 0.00 0.00 37.83 33.80 3h3v s LYS 914 CO -0.03 0.49 0.08 0.95 -0.36 0.00 0.00 175.35 176.47 3h3v s THR 915 N -1.38 0.06 -0.20 3.43 -4.23 0.14 -0.53 115.64 112.93 3h3v s THR 915 Ca 0.23 -0.47 -0.00 0.00 -1.18 0.00 0.00 61.69 60.27 3h3v s THR 915 Cb -0.10 -0.27 0.01 0.00 1.34 0.00 0.00 72.50 73.48 3h3v s THR 915 CO 0.15 -0.26 -0.15 -0.89 -0.54 0.00 0.00 174.62 172.93 3h3v s THR 916 N -0.82 2.46 -0.29 3.99 2.01 -0.56 -1.41 115.64 121.03 3h3v s THR 916 Ca -0.09 -0.83 -0.22 0.00 0.31 0.00 0.00 61.69 60.86 3h3v s THR 916 Cb -0.05 -2.08 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 3h3v s THR 916 CO 0.00 0.48 0.70 -2.16 -0.69 0.00 0.00 174.62 172.95 3h3v s PRO 917 N 1.34 4.00 -0.09 4.92 0.04 -1.26 -3.52 135.00 140.43 3h3v s PRO 917 Ca 0.05 0.51 -0.04 0.00 0.04 0.00 0.00 61.00 61.56 3h3v s PRO 917 Cb -0.14 -3.70 0.04 0.00 0.04 0.00 0.00 34.50 30.75 3h3v s PRO 917 CO -0.10 -0.56 0.21 0.42 0.04 0.00 0.00 177.00 177.01 3h3v s ILE 918 N 2.71 -0.04 -0.06 0.56 1.01 -1.26 -4.94 121.20 119.17 3h3v s ILE 918 Ca 0.29 0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.09 3h3v s ILE 918 Cb -0.15 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 42.02 3h3v s ILE 918 CO 0.11 0.06 -0.03 -0.94 0.00 0.00 0.00 174.94 174.14 3h3v s SER 919 N 1.22 1.27 0.00 3.58 1.04 -1.26 -4.95 113.70 114.59 3h3v s SER 919 Ca -0.09 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.22 3h3v s SER 919 Cb -0.11 -0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.54 3h3v s SER 919 CO -0.07 -0.11 0.00 -1.54 0.98 0.00 0.00 173.24 172.49 3h3v n SER 933 N 4.53 3.40 -4.35 7.02 3.41 -1.21 -5.36 113.62 121.05 3h3v n SER 933 Ca -0.17 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 57.98 3h3v n SER 933 Cb 0.50 0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.66 3h3v n SER 933 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h3v s LYS 934 N -1.73 3.31 -0.25 4.33 1.02 -1.22 -4.35 119.74 120.86 3h3v s LYS 934 Ca 0.00 -1.90 -0.10 0.00 0.02 0.00 0.00 55.97 53.99 3h3v s LYS 934 Cb 0.00 -4.42 -0.05 0.00 -0.52 0.00 0.00 37.83 32.84 3h3v s LYS 934 CO 0.00 -1.43 0.16 -0.98 -0.92 0.00 0.00 175.35 172.18 3h3v s ARG 935 N 1.49 4.00 -0.03 1.68 1.70 -1.23 -3.55 118.95 123.01 3h3v s ARG 935 Ca 0.15 -0.30 -0.30 0.00 -0.47 0.00 0.00 55.73 54.80 3h3v s ARG 935 Cb -0.18 -3.54 -0.04 0.00 -0.57 0.00 0.00 34.95 30.63 3h3v s ARG 935 CO -0.02 -0.01 1.15 0.34 -1.08 0.00 0.00 175.30 175.68 3h3v s ASP 936 N 1.24 7.11 -0.20 -2.89 -1.08 0.92 -1.49 116.67 120.29 3h3v s ASP 936 Ca 0.07 1.82 0.14 0.00 -0.52 0.00 0.00 52.55 54.06 3h3v s ASP 936 Cb -0.14 -2.56 0.44 0.00 -1.46 0.00 0.00 42.92 39.19 3h3v s ASP 936 CO 0.06 -0.51 1.32 0.00 0.52 0.00 0.00 175.17 176.57 3h3v n ALA 937 N 4.73 3.28 -1.76 3.66 0.00 0.31 -4.86 120.51 125.86 3h3v n ALA 937 Ca 0.10 -2.80 -0.39 0.00 0.00 0.00 0.00 53.44 50.34 3h3v n ALA 937 Cb 0.47 -0.57 0.01 0.00 0.00 0.00 0.00 19.45 19.37 3h3v n ALA 937 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3h3v s SER 938 N -2.59 5.86 -0.35 0.00 0.01 -1.19 -4.40 113.70 111.04 3h3v s SER 938 Ca 0.39 2.72 -0.12 0.00 1.31 0.00 0.00 55.95 60.25 3h3v s SER 938 Cb 0.35 -2.64 -0.00 0.00 0.21 0.00 0.00 66.02 63.94 3h3v s SER 938 CO 0.02 -1.16 0.22 -0.89 0.41 0.00 0.00 173.24 171.84 3h3v s THR 939 N -1.29 4.99 0.56 1.44 2.01 -0.89 -4.95 115.64 117.51 3h3v s THR 939 Ca 0.63 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 62.16 3h3v s THR 939 Cb -0.39 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.51 3h3v s THR 939 CO 0.49 -0.08 0.82 -2.16 -0.69 0.00 0.00 174.62 172.99 3h3v s PRO 940 N 1.66 2.68 0.78 4.92 0.04 -1.26 -0.69 135.00 143.12 3h3v s PRO 940 Ca 0.05 -0.46 -0.11 0.00 0.04 0.00 0.00 61.00 60.52 3h3v s PRO 940 Cb -0.18 -2.40 0.06 0.00 0.04 0.00 0.00 34.50 32.02 3h3v s PRO 940 CO 0.09 -0.70 1.08 -1.17 0.04 0.00 0.00 177.00 176.34 3h3v s LEU 941 N -4.85 2.82 -0.68 -3.56 2.96 -0.52 -4.84 118.68 110.01 3h3v s LEU 941 Ca 0.55 1.59 -0.26 0.00 -0.22 0.00 0.00 54.13 55.78 3h3v s LEU 941 Cb -0.10 -4.27 -0.01 0.00 0.50 0.00 0.00 46.19 42.31 3h3v s LEU 941 CO 0.41 -1.97 1.74 -0.13 -1.32 0.00 0.00 176.35 175.08 3h3v s ARG 942 N -5.00 2.76 0.00 1.98 1.81 -1.26 -4.74 118.95 114.49 3h3v s ARG 942 Ca 0.61 0.28 0.00 0.00 -1.72 0.00 0.00 55.73 54.90 3h3v s ARG 942 Cb -0.16 -4.45 0.00 0.00 -0.45 0.00 0.00 34.95 29.89 3h3v s ARG 942 CO 0.56 -2.67 0.00 -1.13 -0.68 0.00 0.00 175.30 171.37 3h3v n SER 943 N 12.09 0.00 -0.11 0.23 3.41 -1.26 -0.45 113.62 127.53 3h3v n SER 943 Ca 0.20 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.56 3h3v n SER 943 Cb 0.51 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.35 3h3v n SER 943 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h3v n THR 944 N -0.37 1.55 -0.73 6.66 -2.24 -1.26 -4.74 114.28 113.15 3h3v n THR 944 Ca 0.00 -0.24 -0.32 0.00 -2.27 0.00 0.00 64.05 61.22 3h3v n THR 944 Cb 0.00 -1.92 0.15 0.00 -2.10 0.00 0.00 70.33 66.46 3h3v n THR 944 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h3v n GLU 945 N -4.22 -0.38 0.00 -0.78 1.02 0.41 -4.98 120.64 111.70 3h3v n GLU 945 Ca -0.41 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.68 3h3v n GLU 945 Cb 0.80 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3h3v n GLU 945 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3h3v n ASN 946 N -3.10 0.00 0.00 1.62 6.94 -1.26 -4.63 115.26 114.83 3h3v n ASN 946 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.66 3h3v n ASN 946 Cb 0.53 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 3h3v n ASN 946 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3h3v n GLY 947 N -0.08 1.48 3.03 4.83 0.00 -0.83 -4.94 105.19 108.67 3h3v n GLY 947 Ca 0.00 0.34 -0.18 0.00 0.00 0.00 0.00 46.02 46.19 3h3v n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3v s ILE 948 N 2.12 0.68 0.60 -0.61 1.01 -0.59 -2.12 121.20 122.29 3h3v s ILE 948 Ca 0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 60.65 59.98 3h3v s ILE 948 Cb 0.00 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.85 3h3v s ILE 948 CO 0.00 0.12 1.32 0.52 0.00 0.00 0.00 174.94 176.90 3h3v n VAL 949 N 2.66 4.46 -0.00 2.92 0.31 -0.03 -0.12 118.33 128.54 3h3v n VAL 949 Ca -0.15 -0.50 -0.00 0.00 -0.01 0.00 0.00 64.34 63.68 3h3v n VAL 949 Cb 0.57 -1.57 -0.00 0.00 -0.91 0.00 0.00 33.84 31.93 3h3v n VAL 949 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3h3v n ASP 950 N -1.49 4.44 -3.60 4.52 2.03 0.23 -4.60 116.55 118.08 3h3v n ASP 950 Ca 0.13 -0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.46 3h3v n ASP 950 Cb 0.46 0.22 -0.06 0.00 -0.72 0.00 0.00 41.12 41.03 3h3v n ASP 950 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3h3v s GLN 951 N -2.00 0.09 -0.04 -0.67 0.74 -1.13 -4.93 119.66 111.71 3h3v s GLN 951 Ca -0.00 0.16 0.06 0.00 0.05 0.00 0.00 55.36 55.63 3h3v s GLN 951 Cb 0.00 0.03 -0.01 0.00 1.10 0.00 0.00 33.01 34.13 3h3v s GLN 951 CO 0.00 -0.02 -0.22 0.08 -0.55 0.00 0.00 175.29 174.58 3h3v s VAL 952 N 1.20 1.82 -0.03 1.34 1.01 -1.26 -1.49 120.40 122.98 3h3v s VAL 952 Ca -0.07 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.98 3h3v s VAL 952 Cb -0.02 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.82 3h3v s VAL 952 CO -0.11 0.51 -0.09 -1.48 0.00 0.00 0.00 175.10 173.93 3h3v s LEU 953 N -0.22 1.78 -0.17 3.92 2.34 -0.77 -5.02 118.68 120.53 3h3v s LEU 953 Ca 0.00 -0.18 -0.04 0.00 0.06 0.00 0.00 54.13 53.97 3h3v s LEU 953 Cb -0.12 -0.54 -0.02 0.00 -0.56 0.00 0.00 46.19 44.95 3h3v s LEU 953 CO 0.02 0.06 -0.04 -0.69 -1.06 0.00 0.00 176.35 174.64 3h3v s VAL 954 N 0.21 3.78 0.27 1.48 1.01 -1.26 -2.24 120.40 123.64 3h3v s VAL 954 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3h3v s VAL 954 Cb -0.09 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 3h3v s VAL 954 CO 0.00 0.47 0.26 -0.89 0.00 0.00 0.00 175.10 174.95 3h3v s THR 955 N 0.63 0.00 0.44 3.92 2.01 0.12 -4.99 115.64 117.77 3h3v s THR 955 Ca -0.02 -1.88 -0.06 0.00 0.31 0.00 0.00 61.69 60.04 3h3v s THR 955 Cb -0.14 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 3h3v s THR 955 CO 0.02 0.00 0.75 -0.89 -0.69 0.00 0.00 174.62 173.81 3h3v s THR 956 N -3.76 4.90 0.29 -0.82 2.01 -1.26 0.52 115.64 117.51 3h3v s THR 956 Ca 0.36 0.26 0.06 0.00 0.31 0.00 0.00 61.69 62.69 3h3v s THR 956 Cb 0.04 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 3h3v s THR 956 CO 0.18 -0.71 0.33 0.21 -0.69 0.00 0.00 174.62 173.94 3h3v s ASN 957 N -3.79 5.80 0.45 3.53 2.47 0.07 -4.68 114.94 118.79 3h3v s ASN 957 Ca 0.48 -0.20 0.28 0.00 0.42 0.00 0.00 52.86 53.84 3h3v s ASN 957 Cb -0.10 -1.39 1.53 0.00 -1.45 0.00 0.00 41.25 39.83 3h3v s ASN 957 CO 0.40 -0.22 1.85 1.56 -3.72 0.00 0.00 177.10 176.97 3h3v h GLN 958 N 1.20 0.00 -0.56 0.43 4.20 -1.91 0.47 115.11 118.95 3h3v h GLN 958 Ca -0.48 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.05 3h3v h GLN 958 Cb 1.24 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.91 3h3v h GLN 958 CO 0.58 0.00 0.16 -0.25 -0.67 0.00 0.00 178.83 178.65 3h3v n ASP 959 N -2.52 3.94 -3.83 1.46 8.00 -1.26 -4.62 116.55 117.73 3h3v n ASP 959 Ca -0.02 -3.35 -0.27 0.00 0.71 0.00 0.00 54.79 51.86 3h3v n ASP 959 Cb 0.10 -0.68 0.03 0.00 -0.02 0.00 0.00 41.12 40.55 3h3v n ASP 959 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3v n GLY 960 N -0.57 -0.45 3.61 0.44 0.00 0.17 -5.00 105.19 103.39 3h3v n GLY 960 Ca 0.36 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 46.26 3h3v n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h3v s LEU 961 N -7.13 3.17 -0.75 0.99 1.43 -1.26 -4.72 118.68 110.42 3h3v s LEU 961 Ca 0.49 -0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 53.02 3h3v s LEU 961 Cb -0.24 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 3h3v s LEU 961 CO 0.82 0.19 1.82 -0.54 0.23 0.00 0.00 176.35 178.87 3h3v s LYS 962 N -2.15 2.70 -0.23 1.70 1.02 -1.26 -0.75 119.74 120.76 3h3v s LYS 962 Ca 0.22 0.12 -0.16 0.00 0.02 0.00 0.00 55.97 56.17 3h3v s LYS 962 Cb -0.11 -4.67 -0.04 0.00 -0.52 0.00 0.00 37.83 32.49 3h3v s LYS 962 CO 0.14 -2.89 0.40 0.12 -0.92 0.00 0.00 175.35 172.20 3h3v s PHE 963 N 8.96 3.32 -0.01 3.18 5.36 0.18 -3.06 117.98 135.91 3h3v s PHE 963 Ca 0.65 0.55 0.03 0.00 -0.96 0.00 0.00 56.93 57.20 3h3v s PHE 963 Cb -0.09 -2.56 -0.01 0.00 -0.34 0.00 0.00 43.02 40.02 3h3v s PHE 963 CO 0.11 -0.11 -0.11 0.08 -1.46 0.00 0.00 175.22 173.72 3h3v s VAL 964 N 1.67 0.90 -0.11 3.12 1.01 0.04 0.13 120.40 127.15 3h3v s VAL 964 Ca 0.18 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3h3v s VAL 964 Cb -0.15 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.49 3h3v s VAL 964 CO 0.09 0.26 -0.14 -0.54 0.00 0.00 0.00 175.10 174.77 3h3v s LYS 965 N -0.23 2.07 -0.04 2.72 1.02 -0.95 -1.44 119.74 122.88 3h3v s LYS 965 Ca 0.04 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.54 3h3v s LYS 965 Cb -0.05 -1.81 -0.03 0.00 -0.52 0.00 0.00 37.83 35.41 3h3v s LYS 965 CO -0.00 -0.10 -0.03 0.08 -0.92 0.00 0.00 175.35 174.37 3h3v s VAL 966 N 1.12 4.00 -0.06 3.17 1.01 -1.14 -1.85 120.40 126.65 3h3v s VAL 966 Ca -0.04 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3h3v s VAL 966 Cb -0.14 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 3h3v s VAL 966 CO -0.03 0.50 -0.19 -0.60 0.00 0.00 0.00 175.10 174.78 3h3v s ARG 967 N -1.15 2.05 -0.10 2.72 3.52 -0.56 -1.77 118.95 123.67 3h3v s ARG 967 Ca 0.15 -0.67 0.01 0.00 -0.13 0.00 0.00 55.73 55.10 3h3v s ARG 967 Cb -0.11 -1.72 -0.02 0.00 -1.56 0.00 0.00 34.95 31.53 3h3v s ARG 967 CO 0.05 0.23 -0.12 0.08 -0.81 0.00 0.00 175.30 174.74 3h3v s VAL 968 N 0.12 3.22 -0.11 7.11 1.01 -0.01 0.75 120.40 132.49 3h3v s VAL 968 Ca -0.07 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 3h3v s VAL 968 Cb -0.13 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3h3v s VAL 968 CO 0.03 0.55 0.02 -0.60 0.00 0.00 0.00 175.10 175.11 3h3v s ARG 969 N -0.13 3.26 0.02 2.72 3.00 0.83 -2.91 118.95 125.75 3h3v s ARG 969 Ca -0.00 -0.38 0.01 0.00 -1.00 0.00 0.00 55.73 54.35 3h3v s ARG 969 Cb -0.13 -2.91 -0.02 0.00 0.00 0.00 0.00 34.95 31.88 3h3v s ARG 969 CO 0.03 0.60 -0.04 0.99 0.00 0.00 0.00 175.30 176.88 3h3v s THR 970 N -0.58 0.19 -0.34 4.11 2.01 -0.68 -1.55 115.64 118.81 3h3v s THR 970 Ca 0.10 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 3h3v s THR 970 Cb -0.12 -0.30 0.08 0.00 0.01 0.00 0.00 72.50 72.17 3h3v s THR 970 CO 0.02 -0.39 0.06 -0.89 -0.69 0.00 0.00 174.62 172.74 3h3v s THR 971 N -1.21 2.93 -0.13 -0.82 2.01 -1.26 -0.96 115.64 116.20 3h3v s THR 971 Ca -0.12 -1.75 -0.22 0.00 0.31 0.00 0.00 61.69 59.91 3h3v s THR 971 Cb -0.08 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 3h3v s THR 971 CO -0.01 -0.36 0.64 -0.54 -0.69 0.00 0.00 174.62 173.66 3h3v s LYS 972 N 1.16 4.33 0.03 4.92 1.02 -0.88 -4.98 119.74 125.33 3h3v s LYS 972 Ca 0.01 0.71 -0.07 0.00 0.02 0.00 0.00 55.97 56.64 3h3v s LYS 972 Cb -0.21 -3.50 -0.05 0.00 -0.52 0.00 0.00 37.83 33.55 3h3v s LYS 972 CO -0.03 -0.05 0.29 0.42 -0.92 0.00 0.00 175.35 175.06 3h3v s ILE 973 N 1.25 5.26 -0.10 2.17 1.01 -1.26 -2.79 121.20 126.74 3h3v s ILE 973 Ca 0.32 0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.87 3h3v s ILE 973 Cb -0.16 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 3h3v s ILE 973 CO 0.13 0.33 1.88 -2.16 0.00 0.00 0.00 174.94 175.13 3h3v s PRO 974 N -1.84 3.83 0.51 2.79 0.04 -1.26 -4.96 135.00 134.10 3h3v s PRO 974 Ca 0.29 2.16 0.06 0.00 0.04 0.00 0.00 61.00 63.55 3h3v s PRO 974 Cb -0.13 -4.15 0.02 0.00 0.04 0.00 0.00 34.50 30.27 3h3v s PRO 974 CO 0.17 -1.29 0.35 -1.14 0.04 0.00 0.00 177.00 175.13 3h3v s GLN 975 N 4.88 2.29 0.45 4.56 0.74 -1.26 -5.04 119.66 126.27 3h3v s GLN 975 Ca 0.84 -1.95 0.11 0.00 0.05 0.00 0.00 55.36 54.42 3h3v s GLN 975 Cb -0.34 -2.10 1.01 0.00 1.10 0.00 0.00 33.01 32.68 3h3v s GLN 975 CO 0.35 -0.48 2.07 0.82 -0.55 0.00 0.00 175.29 177.50 3h3v h ILE 976 N 0.91 1.04 0.03 -2.34 2.04 -1.93 -3.04 117.51 114.22 3h3v h ILE 976 Ca -0.39 -0.13 -0.23 0.00 1.00 0.00 0.00 64.86 65.12 3h3v h ILE 976 Cb 1.29 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3h3v h ILE 976 CO 0.60 0.07 -1.11 1.23 0.00 0.00 0.00 178.15 178.93 3h3v h GLY 977 N 0.37 0.07 -2.97 5.37 0.00 -1.93 -3.29 103.07 100.69 3h3v h GLY 977 Ca 0.13 -0.18 -0.55 0.00 0.00 0.00 0.00 47.33 46.72 3h3v h GLY 977 CO -0.03 0.16 -1.51 1.22 0.00 0.00 0.00 176.54 176.38 3h3v n ASP 978 N -3.37 -4.91 -4.60 0.19 9.92 -1.15 -4.39 116.55 108.24 3h3v n ASP 978 Ca -0.03 0.29 -0.30 0.00 -0.53 0.00 0.00 54.79 54.22 3h3v n ASP 978 Cb 0.97 -0.86 -0.09 0.00 -0.64 0.00 0.00 41.12 40.49 3h3v n ASP 978 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3h3v s LYS 979 N -2.13 2.23 0.16 -1.24 2.20 -1.26 -1.83 119.74 117.87 3h3v s LYS 979 Ca 0.46 -0.98 -0.08 0.00 -0.36 0.00 0.00 55.97 55.01 3h3v s LYS 979 Cb -0.24 -2.36 -0.01 0.00 -1.51 0.00 0.00 37.83 33.71 3h3v s LYS 979 CO 0.77 0.52 0.26 -0.06 -0.36 0.00 0.00 175.35 176.47 3h3v s PHE 980 N -1.24 0.44 -0.16 4.03 2.99 0.39 -3.78 117.98 120.65 3h3v s PHE 980 Ca 0.22 -0.81 -0.30 0.00 0.00 0.00 0.00 56.93 56.05 3h3v s PHE 980 Cb -0.11 -0.10 0.13 0.00 0.00 0.00 0.00 43.02 42.94 3h3v s PHE 980 CO 0.15 -0.69 1.03 0.00 -0.00 0.00 0.00 175.22 175.70 3h3v s ALA 981 N -3.97 -1.95 0.67 5.36 0.00 -0.84 -1.14 121.76 119.90 3h3v s ALA 981 Ca 0.17 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.71 3h3v s ALA 981 Cb 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.46 3h3v s ALA 981 CO -0.00 -0.33 0.00 -1.13 0.00 0.00 0.00 175.76 174.30 3h3v n SER 982 N 0.63 0.00 -0.12 0.00 3.41 -1.26 -0.98 113.62 115.31 3h3v n SER 982 Ca -0.09 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.62 3h3v n SER 982 Cb 0.58 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.68 3h3v n SER 982 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h3v n ARG 983 N 0.00 1.31 -1.36 4.33 1.74 -1.26 -4.58 116.66 116.84 3h3v n ARG 983 Ca 0.00 -2.65 -0.02 0.00 -0.77 0.00 0.00 57.85 54.41 3h3v n ARG 983 Cb 0.00 -1.51 0.11 0.00 -1.02 0.00 0.00 32.46 30.04 3h3v n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3h3v n HIS 984 N -1.41 0.77 -3.53 -1.55 8.25 -1.26 -4.74 115.22 111.75 3h3v n HIS 984 Ca 0.16 -1.52 -0.19 0.00 -0.26 0.00 0.00 57.72 55.90 3h3v n HIS 984 Cb 0.65 -0.25 0.07 0.00 1.12 0.00 0.00 29.99 31.58 3h3v n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h3v n GLY 985 N -0.63 -0.37 2.32 -1.41 0.00 -1.26 -4.85 105.19 99.00 3h3v n GLY 985 Ca 0.21 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 3h3v n GLY 985 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3h3v n GLN 986 N -4.30 3.15 -1.40 1.61 -0.06 -1.26 -4.96 117.38 110.15 3h3v n GLN 986 Ca -0.24 -3.83 -0.40 0.00 -2.00 0.00 0.00 57.00 50.52 3h3v n GLN 986 Cb 0.65 -2.28 0.01 0.00 -4.06 0.00 0.00 30.24 24.57 3h3v n GLN 986 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 3h3v n LYS 987 N -0.72 0.39 0.00 3.69 2.85 -1.26 -4.10 118.16 119.00 3h3v n LYS 987 Ca 0.51 0.14 0.00 0.00 -1.05 0.00 0.00 58.31 57.91 3h3v n LYS 987 Cb 0.71 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.69 3h3v n LYS 987 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3h3v n GLY 988 N 1.97 1.99 3.96 2.58 0.00 -0.29 -4.89 105.19 110.53 3h3v n GLY 988 Ca 0.11 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 3h3v n GLY 988 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h3v s THR 989 N -1.32 3.91 1.01 2.61 -4.23 -1.19 -0.47 115.64 115.97 3h3v s THR 989 Ca 0.00 -1.07 -0.12 0.00 -1.18 0.00 0.00 61.69 59.31 3h3v s THR 989 Cb 0.00 -3.34 0.20 0.00 1.34 0.00 0.00 72.50 70.69 3h3v s THR 989 CO 0.00 -0.15 1.09 -0.63 -0.54 0.00 0.00 174.62 174.39 3h3v s ILE 990 N -2.21 2.02 0.00 2.99 1.01 -0.76 0.01 121.20 124.26 3h3v s ILE 990 Ca 0.45 0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.10 3h3v s ILE 990 Cb -0.09 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.90 3h3v s ILE 990 CO 0.30 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.84 3h3v n GLY 991 N -1.03 0.00 3.59 6.18 0.00 -1.20 -4.60 105.19 108.13 3h3v n GLY 991 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 3h3v n GLY 991 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3h3v s ILE 992 N -1.82 0.00 0.03 -0.61 2.07 -1.26 -4.94 121.20 114.67 3h3v s ILE 992 Ca 0.00 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.15 3h3v s ILE 992 Cb 0.00 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 3h3v s ILE 992 CO 0.00 0.00 0.34 0.42 -1.91 0.00 0.00 174.94 173.79 3h3v s THR 993 N -0.31 5.18 0.11 4.00 -4.23 -1.26 -2.35 115.64 116.78 3h3v s THR 993 Ca -0.03 0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.88 3h3v s THR 993 Cb -0.03 -3.61 -0.00 0.00 1.34 0.00 0.00 72.50 70.19 3h3v s THR 993 CO 0.03 0.37 0.04 -1.22 -0.54 0.00 0.00 174.62 173.29 3h3v n TYR 994 N 1.16 0.05 -4.21 3.99 4.02 -1.03 -4.81 117.16 116.33 3h3v n TYR 994 Ca -0.11 -0.67 -0.12 0.00 -0.01 0.00 0.00 57.90 56.99 3h3v n TYR 994 Cb 0.53 -0.01 -0.10 0.00 -0.02 0.00 0.00 39.34 39.74 3h3v n TYR 994 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3h3v s ARG 995 N -2.40 1.04 0.58 -0.72 0.52 -1.26 0.39 118.95 117.09 3h3v s ARG 995 Ca 0.05 -1.49 0.35 0.00 -0.52 0.00 0.00 55.73 54.12 3h3v s ARG 995 Cb 0.00 -0.15 1.34 0.00 0.52 0.00 0.00 34.95 36.66 3h3v s ARG 995 CO 0.04 -0.14 1.56 0.00 0.02 0.00 0.00 175.30 176.77 3h3v h ARG 996 N 2.76 0.00 0.00 3.54 3.08 -1.96 0.51 114.38 122.31 3h3v h ARG 996 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3h3v h ARG 996 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3h3v h ARG 996 CO 0.62 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.91 3h3v n GLU 997 N -3.66 0.00 0.01 0.04 4.71 -1.26 -3.73 120.64 116.75 3h3v n GLU 997 Ca 0.27 0.21 0.19 0.00 -0.01 0.00 0.00 57.16 57.81 3h3v n GLU 997 Cb 1.47 -0.99 0.67 0.00 -1.01 0.00 0.00 31.44 31.58 3h3v n GLU 997 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3h3v h ASP 998 N 0.00 0.04 -3.99 1.62 3.32 -1.63 -3.40 116.42 112.37 3h3v h ASP 998 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3h3v h ASP 998 Cb 0.00 -0.01 0.11 0.00 0.22 0.00 0.00 39.33 39.66 3h3v h ASP 998 CO 0.00 0.02 0.67 -0.32 -1.72 0.00 0.00 179.24 177.89 3h3v s MET 999 N -5.06 3.68 0.25 3.56 1.75 0.17 -4.16 119.30 119.49 3h3v s MET 999 Ca -0.05 2.33 -0.30 0.00 -1.25 0.00 0.00 55.69 56.42 3h3v s MET 999 Cb 0.20 -2.62 -0.09 0.00 2.84 0.00 0.00 34.83 35.15 3h3v s MET 999 CO 0.73 -0.79 1.03 -1.25 -0.65 0.00 0.00 175.02 174.09 3h3v s PRO 1000N -2.47 4.72 0.21 4.11 0.04 -1.26 -3.96 135.00 136.39 3h3v s PRO 1000Ca 0.61 1.66 0.02 0.00 0.04 0.00 0.00 61.00 63.34 3h3v s PRO 1000Cb -0.42 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 30.83 3h3v s PRO 1000CO 0.53 0.31 0.02 -0.59 0.04 0.00 0.00 177.00 177.32 3h3v s PHE 1001N -1.02 1.40 -0.19 0.56 -0.12 -1.00 -4.23 117.98 113.38 3h3v s PHE 1001Ca 0.44 -1.02 -0.02 0.00 -0.05 0.00 0.00 56.93 56.27 3h3v s PHE 1001Cb -0.29 -0.81 -0.01 0.00 -0.63 0.00 0.00 43.02 41.28 3h3v s PHE 1001CO 0.37 -0.18 -0.08 -0.08 -0.05 0.00 0.00 175.22 175.19 3h3v s THR 1002N -3.60 3.17 0.00 -4.49 -1.32 -0.99 0.14 115.64 108.56 3h3v s THR 1002Ca 0.28 -0.58 0.00 0.00 -1.21 0.00 0.00 61.69 60.19 3h3v s THR 1002Cb 0.06 -2.40 0.00 0.00 -1.51 0.00 0.00 72.50 68.65 3h3v s THR 1002CO 0.08 0.47 0.00 0.00 -2.21 0.00 0.00 174.62 172.95 3h3v n ALA 1003N 4.38 0.00 0.57 11.08 0.00 -1.26 0.32 120.51 135.59 3h3v n ALA 1003Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.30 3h3v n ALA 1003Cb 0.51 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.24 3h3v n ALA 1003CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h3v n GLU 1004N -2.19 0.28 0.00 0.00 1.02 -1.26 -4.85 120.64 113.64 3h3v n GLU 1004Ca 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3h3v n GLU 1004Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 3h3v n GLU 1004CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h3v n GLY 1005N -0.43 2.01 0.00 0.62 0.00 0.95 -5.01 105.19 103.33 3h3v n GLY 1005Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3h3v n GLY 1005CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3h3v n ILE 1006N 0.00 0.00 -4.18 -0.61 -5.35 -1.25 -3.73 119.36 104.25 3h3v n ILE 1006Ca 0.00 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.32 3h3v n ILE 1006Cb 0.00 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 37.79 3h3v n ILE 1006CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3h3v s VAL 1007N 0.00 1.02 0.49 7.28 0.11 -1.26 -2.35 120.40 125.69 3h3v s VAL 1007Ca 0.00 -1.55 -0.21 0.00 -2.93 0.00 0.00 61.98 57.29 3h3v s VAL 1007Cb 0.00 -1.28 -0.08 0.00 -1.53 0.00 0.00 36.38 33.49 3h3v s VAL 1007CO 0.00 -0.46 1.07 -2.16 -3.33 0.00 0.00 175.10 170.22 3h3v s PRO 1008N -2.49 3.72 -0.14 1.54 0.04 -1.26 -4.92 135.00 131.49 3h3v s PRO 1008Ca 0.04 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.54 3h3v s PRO 1008Cb -0.05 -2.13 -0.24 0.00 0.04 0.00 0.00 34.50 32.13 3h3v s PRO 1008CO 0.01 -0.52 0.28 -0.25 0.04 0.00 0.00 177.00 176.56 3h3v n ASP 1009N -0.95 1.72 -4.74 6.66 8.00 0.47 -4.37 116.55 123.35 3h3v n ASP 1009Ca 0.09 0.16 -0.31 0.00 0.71 0.00 0.00 54.79 55.45 3h3v n ASP 1009Cb 0.52 -0.49 -0.05 0.00 -0.02 0.00 0.00 41.12 41.07 3h3v n ASP 1009CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3h3v n LEU 1010N -3.31 0.00 -2.72 0.64 7.99 -1.19 -0.91 117.00 117.51 3h3v n LEU 1010Ca -0.32 -3.12 -0.06 0.00 -0.01 0.00 0.00 56.01 52.50 3h3v n LEU 1010Cb 1.05 0.25 0.06 0.00 -0.11 0.00 0.00 43.42 44.66 3h3v n LEU 1010CO 0.40 -0.49 0.35 -0.38 -1.51 0.00 0.00 177.39 175.76 3h3v n ILE 1011N -1.42 0.00 -2.47 -0.08 5.41 -0.92 -3.91 119.36 115.97 3h3v n ILE 1011Ca -0.16 -1.11 -0.39 0.00 1.00 0.00 0.00 62.75 62.09 3h3v n ILE 1011Cb 0.64 1.28 -0.04 0.00 -0.71 0.00 0.00 39.64 40.81 3h3v n ILE 1011CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 3h3v s ILE 1012N 0.50 3.49 0.14 1.39 -4.36 -1.26 -3.44 121.20 117.67 3h3v s ILE 1012Ca 0.29 1.41 -0.31 0.00 -0.26 0.00 0.00 60.65 61.78 3h3v s ILE 1012Cb 0.20 -3.86 -0.09 0.00 1.25 0.00 0.00 42.46 39.96 3h3v s ILE 1012CO -0.17 0.27 1.47 0.21 0.24 0.00 0.00 174.94 176.96 3h3v s ASN 1013N -1.03 6.72 0.65 4.36 3.84 -1.24 -1.64 114.94 126.60 3h3v s ASN 1013Ca 0.48 2.46 0.30 0.00 0.21 0.00 0.00 52.86 56.31 3h3v s ASN 1013Cb -0.30 -2.59 1.61 0.00 -0.55 0.00 0.00 41.25 39.42 3h3v s ASN 1013CO 0.38 -0.73 1.93 1.55 -2.79 0.00 0.00 177.10 177.45 3h3v h PRO 1014N 6.79 0.00 -0.20 0.43 0.13 -1.83 -2.49 132.00 134.82 3h3v h PRO 1014Ca -0.42 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.67 3h3v h PRO 1014Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3h3v h PRO 1014CO 0.89 0.00 -0.05 0.45 -0.23 0.00 0.00 178.00 179.05 3h3v h HIS 1015N 0.00 0.31 -0.33 1.56 3.86 -1.96 -3.09 115.15 115.50 3h3v h HIS 1015Ca 0.05 -0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.06 3h3v h HIS 1015Cb 0.75 -0.09 -0.10 0.00 1.06 0.00 0.00 27.41 29.02 3h3v h HIS 1015CO 0.00 0.37 0.21 0.00 0.86 0.00 0.00 177.93 179.37 3h3v n ALA 1016N -2.49 3.53 -0.02 2.45 0.00 -0.94 -3.89 120.51 119.15 3h3v n ALA 1016Ca -0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 53.44 52.45 3h3v n ALA 1016Cb 0.23 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 3h3v n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3h3v n ILE 1017N -0.05 0.18 0.00 0.00 2.08 -1.17 -4.68 119.36 115.73 3h3v n ILE 1017Ca 0.20 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.44 3h3v n ILE 1017Cb 0.89 -0.65 0.00 0.00 -0.75 0.00 0.00 39.64 39.13 3h3v n ILE 1017CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3h3v n PRO 1018N -2.61 0.00 0.24 0.38 -0.02 -1.25 -2.17 135.00 129.56 3h3v n PRO 1018Ca -0.06 0.37 0.16 0.00 -2.02 0.00 0.00 63.50 61.95 3h3v n PRO 1018Cb 0.56 -1.23 0.85 0.00 -0.02 0.00 0.00 33.50 33.66 3h3v n PRO 1018CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3h3v h SER 1019N 0.00 0.00 1.01 2.55 4.64 -1.91 0.16 113.55 120.00 3h3v h SER 1019Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 3h3v h SER 1019Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3h3v h SER 1019CO 0.00 0.00 -0.68 0.03 -0.87 0.00 0.00 176.83 175.31 3h3v h ARG 1020N 0.00 0.00 -6.69 4.77 2.47 -1.82 -3.46 114.38 109.65 3h3v h ARG 1020Ca 0.00 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.18 3h3v h ARG 1020Cb 0.06 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 28.21 3h3v h ARG 1020CO 0.00 0.68 -0.84 -1.33 0.56 0.00 0.00 179.97 179.03 3h3v n MET 1021N -3.45 -3.27 -3.47 0.04 2.81 0.58 -4.56 117.12 105.79 3h3v n MET 1021Ca 0.00 0.38 -0.43 0.00 -1.81 0.00 0.00 57.70 55.85 3h3v n MET 1021Cb 0.74 -5.00 -0.05 0.00 -0.71 0.00 0.00 33.22 28.20 3h3v n MET 1021CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 3h3v s THR 1022N -3.42 4.88 0.02 2.03 -1.32 -1.25 -3.13 115.64 113.46 3h3v s THR 1022Ca 0.60 -2.57 0.04 0.00 -1.21 0.00 0.00 61.69 58.55 3h3v s THR 1022Cb -0.33 -4.07 -0.24 0.00 -1.51 0.00 0.00 72.50 66.35 3h3v s THR 1022CO 0.92 -0.96 0.92 0.58 -2.21 0.00 0.00 174.62 173.87 3h3v h VAL 1023N 5.05 1.23 -1.03 5.08 2.07 -1.90 -3.33 116.25 123.42 3h3v h VAL 1023Ca 0.03 -2.95 0.28 0.00 0.82 0.00 0.00 66.70 64.89 3h3v h VAL 1023Cb 1.01 2.69 -0.06 0.00 -1.52 0.00 0.00 31.29 33.41 3h3v h VAL 1023CO 0.76 0.78 0.71 0.00 0.02 0.00 0.00 177.57 179.84 3h3v h ALA 1024N 0.77 2.65 0.66 1.67 0.00 -1.85 0.34 119.26 123.51 3h3v h ALA 1024Ca -0.19 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3h3v h ALA 1024Cb 1.94 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 3h3v h ALA 1024CO 0.13 -0.99 -0.45 1.25 0.00 0.00 0.00 179.25 179.19 3h3v h HIS 1025N 0.18 -1.21 -0.92 0.00 6.17 -1.89 0.12 115.15 117.60 3h3v h HIS 1025Ca 0.53 -0.01 0.25 0.00 0.71 0.00 0.00 60.37 61.85 3h3v h HIS 1025Cb 1.75 0.44 -0.16 0.00 2.52 0.00 0.00 27.41 31.96 3h3v h HIS 1025CO -0.00 -0.65 0.07 -0.07 0.71 0.00 0.00 177.93 177.98 3h3v h LEU 1026N -1.05 -0.35 0.21 0.26 3.38 -0.54 -1.22 115.31 115.99 3h3v h LEU 1026Ca -0.09 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3h3v h LEU 1026Cb 0.86 0.41 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3h3v h LEU 1026CO 0.06 -0.28 -0.10 0.40 0.09 0.00 0.00 178.44 178.61 3h3v h ILE 1027N 0.07 0.88 0.00 1.22 2.04 -0.87 -2.19 117.51 118.65 3h3v h ILE 1027Ca 0.56 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3h3v h ILE 1027Cb 1.12 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 3h3v h ILE 1027CO -0.82 0.13 0.55 -0.08 0.00 0.00 0.00 178.15 177.93 3h3v h GLU 1028N -0.57 0.00 0.00 2.37 4.81 0.46 0.95 114.58 122.60 3h3v h GLU 1028Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3h3v h GLU 1028Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3h3v h GLU 1028CO 0.05 0.00 -0.21 0.00 -0.73 0.00 0.00 179.01 178.12 3h3v h LEU 1030N -0.76 0.21 -0.31 0.00 5.85 -0.26 0.77 115.31 120.80 3h3v h LEU 1030Ca 0.00 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3h3v h LEU 1030Cb 0.21 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3h3v h LEU 1030CO 0.00 0.03 0.13 0.25 -0.34 0.00 0.00 178.44 178.51 3h3v h LEU 1031N 0.38 0.43 -0.36 2.25 5.85 0.66 -2.28 115.31 122.23 3h3v h LEU 1031Ca 0.46 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3h3v h LEU 1031Cb 0.77 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3h3v h LEU 1031CO -0.47 0.47 0.00 0.28 -0.34 0.00 0.00 178.44 178.38 3h3v h SER 1032N 0.35 0.00 1.16 1.25 0.02 -0.53 -1.51 113.55 114.29 3h3v h SER 1032Ca 0.10 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 3h3v h SER 1032Cb 0.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3h3v h SER 1032CO -0.01 0.00 -0.44 0.50 -1.14 0.00 0.00 176.83 175.75 3h3v h LYS 1033N 0.00 0.00 0.00 3.45 3.64 0.70 -2.07 116.57 122.29 3h3v h LYS 1033Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3h3v h LYS 1033Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3h3v h LYS 1033CO 0.00 0.44 0.00 0.28 -2.27 0.00 0.00 179.45 177.90 3h3v n VAL 1034N -3.37 0.00 0.08 2.00 0.31 -0.88 -3.54 118.33 112.93 3h3v n VAL 1034Ca 0.01 0.37 0.02 0.00 -0.01 0.00 0.00 64.34 64.73 3h3v n VAL 1034Cb 0.62 -0.90 0.08 0.00 -0.91 0.00 0.00 33.84 32.73 3h3v n VAL 1034CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h3v n ALA 1035N -1.17 0.28 0.03 3.52 0.00 -0.61 0.18 120.51 122.74 3h3v n ALA 1035Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 3h3v n ALA 1035Cb 0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 19.45 19.01 3h3v n ALA 1035CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h3v h ALA 1036N 0.55 0.05 0.15 0.00 0.00 -1.45 -2.14 119.26 116.42 3h3v h ALA 1036Ca 0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 54.91 54.05 3h3v h ALA 1036Cb 0.89 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.77 3h3v h ALA 1036CO 0.00 0.48 -0.92 -0.07 0.00 0.00 0.00 179.25 178.74 3h3v h LEU 1037N 0.02 0.51 -0.93 0.00 3.38 0.18 -3.33 115.31 115.14 3h3v h LEU 1037Ca -0.12 -0.95 -0.03 0.00 0.09 0.00 0.00 57.88 56.88 3h3v h LEU 1037Cb 1.54 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 3h3v h LEU 1037CO 0.16 1.44 -0.15 0.77 0.09 0.00 0.00 178.44 180.75 3h3v h SER 1038N -0.31 0.00 -3.99 -0.43 4.64 -1.47 -3.47 113.55 108.52 3h3v h SER 1038Ca -0.16 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.92 3h3v h SER 1038Cb 1.71 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.89 3h3v h SER 1038CO 0.16 0.15 -0.42 0.61 -0.87 0.00 0.00 176.83 176.46 3h3v n GLY 1039N 0.37 0.03 2.71 -0.77 0.00 -0.82 -5.01 105.19 101.70 3h3v n GLY 1039Ca 0.01 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 3h3v n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h3v s ASN 1040N -3.32 2.94 -0.93 1.61 0.01 -1.13 -5.06 114.94 109.05 3h3v s ASN 1040Ca 0.28 -0.86 -0.20 0.00 -0.71 0.00 0.00 52.86 51.37 3h3v s ASN 1040Cb -0.12 -0.56 -0.25 0.00 0.41 0.00 0.00 41.25 40.72 3h3v s ASN 1040CO 0.44 -0.32 2.29 1.21 -1.51 0.00 0.00 177.10 179.21 3h3v n GLU 1041N 5.07 0.00 -1.74 -0.60 2.13 -1.26 -4.49 120.64 119.75 3h3v n GLU 1041Ca -0.08 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.32 3h3v n GLU 1041Cb 0.47 -1.19 -0.03 0.00 0.27 0.00 0.00 31.44 30.95 3h3v n GLU 1041CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3h3v s GLY 1042N 4.81 1.32 -0.33 8.31 0.00 -0.96 -4.90 107.32 115.58 3h3v s GLY 1042Ca 1.25 1.48 -0.25 0.00 0.00 0.00 0.00 44.72 47.19 3h3v s GLY 1042CO 0.49 3.03 0.88 -0.35 0.00 0.00 0.00 173.10 177.14 3h3v s ASP 1043N 2.15 6.71 -0.01 1.64 2.15 -1.26 -1.33 116.67 126.72 3h3v s ASP 1043Ca 0.78 0.69 0.17 0.00 0.43 0.00 0.00 52.55 54.63 3h3v s ASP 1043Cb -0.47 -2.45 -0.23 0.00 -0.30 0.00 0.00 42.92 39.48 3h3v s ASP 1043CO 0.35 -0.74 0.55 0.00 -0.17 0.00 0.00 175.17 175.16 3h3v n ALA 1044N 6.49 3.43 0.00 3.66 0.00 0.14 -4.85 120.51 129.37 3h3v n ALA 1044Ca 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3h3v n ALA 1044Cb 0.48 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.32 3h3v n ALA 1044CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3h3v n SER 1045N -1.76 0.00 0.00 0.00 7.64 -0.12 -2.62 113.62 116.75 3h3v n SER 1045Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3h3v n SER 1045Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 3h3v n SER 1045CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3h3v n PRO 1046N 0.00 0.00 -3.67 1.43 -0.02 -1.26 -4.49 135.00 126.98 3h3v n PRO 1046Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 3h3v n PRO 1046Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.36 3h3v n PRO 1046CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3h3v s PHE 1047N 0.00 3.15 0.01 6.00 0.40 -1.26 -4.71 117.98 121.57 3h3v s PHE 1047Ca 0.00 -0.25 -0.00 0.00 -0.60 0.00 0.00 56.93 56.08 3h3v s PHE 1047Cb 0.00 -2.31 0.00 0.00 0.51 0.00 0.00 43.02 41.22 3h3v s PHE 1047CO 0.00 -0.31 0.01 0.25 0.70 0.00 0.00 175.22 175.87 3h3v n THR 1048N 4.99 0.00 0.07 0.64 -2.24 -1.26 -4.96 114.28 111.51 3h3v n THR 1048Ca -0.15 -0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 3h3v n THR 1048Cb 0.51 0.02 0.09 0.00 -2.10 0.00 0.00 70.33 68.85 3h3v n THR 1048CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3h3v n ASP 1049N -1.97 3.29 -4.95 3.42 8.00 -1.26 -4.92 116.55 118.16 3h3v n ASP 1049Ca -0.00 -2.65 -0.23 0.00 0.71 0.00 0.00 54.79 52.61 3h3v n ASP 1049Cb 0.01 -0.64 -0.01 0.00 -0.02 0.00 0.00 41.12 40.46 3h3v n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h3v s ILE 1050N -1.44 5.07 0.20 0.53 1.01 -1.26 -5.06 121.20 120.25 3h3v s ILE 1050Ca 0.24 -0.56 -0.17 0.00 0.00 0.00 0.00 60.65 60.17 3h3v s ILE 1050Cb 0.20 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.85 3h3v s ILE 1050CO 0.05 -0.51 0.51 0.42 0.00 0.00 0.00 174.94 175.41 3h3v s THR 1051N -2.27 0.03 0.04 2.92 -4.23 -1.26 -4.95 115.64 105.92 3h3v s THR 1051Ca 0.39 -0.86 -0.19 0.00 -1.18 0.00 0.00 61.69 59.85 3h3v s THR 1051Cb -0.09 -1.63 -0.15 0.00 1.34 0.00 0.00 72.50 71.96 3h3v s THR 1051CO 0.35 -0.12 1.31 0.58 -0.54 0.00 0.00 174.62 176.19 3h3v h VAL 1052N 2.22 1.36 -0.26 2.29 2.07 -1.98 0.16 116.25 122.11 3h3v h VAL 1052Ca -0.29 -1.48 0.07 0.00 0.82 0.00 0.00 66.70 65.83 3h3v h VAL 1052Cb 1.26 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 3h3v h VAL 1052CO 0.38 0.44 0.19 -0.33 0.02 0.00 0.00 177.57 178.27 3h3v h GLU 1053N 0.04 0.00 0.10 1.57 4.39 -1.96 0.20 114.58 118.92 3h3v h GLU 1053Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 3h3v h GLU 1053Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3h3v h GLU 1053CO 0.06 0.00 -0.05 0.78 -1.16 0.00 0.00 179.01 178.64 3h3v h GLY 1054N 0.00 -0.15 0.84 -3.84 0.00 -1.83 -3.29 103.07 94.81 3h3v h GLY 1054Ca 0.12 0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.56 3h3v h GLY 1054CO -0.00 -0.05 0.61 -2.22 0.00 0.00 0.00 176.54 174.88 3h3v h ILE 1055N -0.99 1.09 -0.77 2.60 2.04 -0.27 -2.24 117.51 118.98 3h3v h ILE 1055Ca -0.01 -0.38 0.16 0.00 1.00 0.00 0.00 64.86 65.63 3h3v h ILE 1055Cb 0.39 -0.11 -0.11 0.00 -0.74 0.00 0.00 36.82 36.25 3h3v h ILE 1055CO 0.02 0.20 0.26 0.28 0.00 0.00 0.00 178.15 178.92 3h3v h SER 1056N 1.11 0.17 -0.71 1.72 0.02 -0.73 0.60 113.55 115.72 3h3v h SER 1056Ca 0.40 0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.43 3h3v h SER 1056Cb 0.15 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3h3v h SER 1056CO -0.15 0.03 0.26 0.11 -1.14 0.00 0.00 176.83 175.94 3h3v h LYS 1057N 0.36 1.08 -0.90 3.45 1.57 -1.47 0.42 116.57 121.09 3h3v h LYS 1057Ca 0.44 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3h3v h LYS 1057Cb 0.73 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 3h3v h LYS 1057CO -0.47 0.91 0.52 -0.07 -0.57 0.00 0.00 179.45 179.77 3h3v h LEU 1058N 1.03 1.09 -0.14 2.94 3.38 -0.85 -1.34 115.31 121.42 3h3v h LEU 1058Ca 0.24 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.92 3h3v h LEU 1058Cb 0.25 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.73 3h3v h LEU 1058CO -0.01 0.86 -0.73 0.25 0.09 0.00 0.00 178.44 178.89 3h3v h LEU 1059N 1.24 0.89 -1.07 1.67 5.85 -0.72 -2.99 115.31 120.18 3h3v h LEU 1059Ca 0.32 -0.63 0.09 0.00 0.84 0.00 0.00 57.88 58.49 3h3v h LEU 1059Cb -0.02 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.68 3h3v h LEU 1059CO -0.06 1.38 0.62 -0.09 -0.34 0.00 0.00 178.44 179.96 3h3v h ARG 1060N 0.46 1.02 0.00 1.25 9.65 -0.66 0.21 114.38 126.31 3h3v h ARG 1060Ca -0.05 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3h3v h ARG 1060Cb 1.37 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 3h3v h ARG 1060CO 0.15 0.67 0.00 0.39 2.80 0.00 0.00 179.97 183.98 3h3v n GLU 1061N -4.53 0.19 0.00 0.20 1.02 -0.53 -1.58 120.64 115.40 3h3v n GLU 1061Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 3h3v n GLU 1061Cb 0.25 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 3h3v n GLU 1061CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3h3v n HIS 1062N -0.70 0.00 -0.14 -0.32 8.25 0.75 -5.01 115.22 118.05 3h3v n HIS 1062Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3h3v n HIS 1062Cb 0.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3h3v n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h3v n GLY 1063N 0.25 0.63 3.91 -1.41 0.00 -0.62 -5.07 105.19 102.89 3h3v n GLY 1063Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3h3v n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h3v s TYR 1064N -2.36 3.36 0.42 1.61 4.12 -1.25 -5.05 117.35 118.20 3h3v s TYR 1064Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.07 56.90 3h3v s TYR 1064Cb 0.00 -1.56 -0.15 0.00 -1.52 0.00 0.00 41.96 38.73 3h3v s TYR 1064CO 0.00 0.49 0.01 0.94 0.02 0.00 0.00 175.55 177.01 3h3v n GLN 1065N -0.96 0.00 0.00 -0.62 -0.06 -1.26 -4.06 117.38 110.42 3h3v n GLN 1065Ca -0.08 0.00 0.15 0.00 -2.00 0.00 0.00 57.00 55.07 3h3v n GLN 1065Cb 0.56 -0.96 0.82 0.00 -4.06 0.00 0.00 30.24 26.61 3h3v n GLN 1065CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 3h3v n SER 1066N 2.30 0.00 -0.00 1.69 3.41 -1.26 -3.54 113.62 116.22 3h3v n SER 1066Ca 0.10 -0.49 0.02 0.00 -0.26 0.00 0.00 58.87 58.23 3h3v n SER 1066Cb 0.41 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 3h3v n SER 1066CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h3v n ARG 1067N -1.17 0.18 0.00 4.33 5.12 -1.26 -4.37 116.66 119.50 3h3v n ARG 1067Ca 0.18 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 3h3v n ARG 1067Cb 0.18 -1.08 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 3h3v n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3h3v n GLY 1068N 2.31 3.23 3.30 -0.13 0.00 -1.23 -4.92 105.19 107.74 3h3v n GLY 1068Ca -0.01 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 3h3v n GLY 1068CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h3v n PHE 1069N 0.00 -2.49 -3.74 1.61 3.01 -1.26 -4.00 117.46 110.60 3h3v n PHE 1069Ca 0.00 0.19 -0.10 0.00 1.01 0.00 0.00 57.45 58.55 3h3v n PHE 1069Cb 0.00 -1.70 -0.06 0.00 -0.01 0.00 0.00 39.48 37.71 3h3v n PHE 1069CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3h3v s GLU 1070N -2.87 1.01 0.34 -1.08 2.02 -0.61 -4.24 118.70 113.27 3h3v s GLU 1070Ca 0.54 -0.83 -0.26 0.00 0.02 0.00 0.00 54.97 54.43 3h3v s GLU 1070Cb -0.24 0.42 -0.09 0.00 0.10 0.00 0.00 34.13 34.32 3h3v s GLU 1070CO 0.70 -0.37 1.04 0.08 0.02 0.00 0.00 175.26 176.73 3h3v s VAL 1071N -3.84 3.75 0.03 2.63 1.01 -1.26 -3.09 120.40 119.63 3h3v s VAL 1071Ca 0.05 1.51 -0.01 0.00 0.00 0.00 0.00 61.98 63.52 3h3v s VAL 1071Cb 0.03 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 3h3v s VAL 1071CO -0.11 0.17 -0.01 -0.04 0.00 0.00 0.00 175.10 175.12 3h3v s MET 1072N -2.01 0.45 -0.09 2.72 -1.94 -1.26 -4.44 119.30 112.73 3h3v s MET 1072Ca 0.51 -0.83 0.01 0.00 -1.71 0.00 0.00 55.69 53.67 3h3v s MET 1072Cb -0.25 0.16 -0.02 0.00 2.01 0.00 0.00 34.83 36.73 3h3v s MET 1072CO 0.31 -0.08 -0.12 0.71 -0.01 0.00 0.00 175.02 175.83 3h3v s TYR 1073N -2.44 2.81 -1.03 -0.03 1.51 0.38 -0.74 117.35 117.80 3h3v s TYR 1073Ca -0.07 -0.30 -0.26 0.00 -1.01 0.00 0.00 57.07 55.43 3h3v s TYR 1073Cb -0.03 -1.75 -0.17 0.00 -0.11 0.00 0.00 41.96 39.91 3h3v s TYR 1073CO -0.04 0.06 2.13 1.21 -1.11 0.00 0.00 175.55 177.79 3h3v s ASN 1074N -0.28 3.98 0.21 2.29 3.84 0.19 -2.37 114.94 122.79 3h3v s ASN 1074Ca 0.02 -0.87 0.14 0.00 0.21 0.00 0.00 52.86 52.36 3h3v s ASN 1074Cb -0.13 -2.58 0.72 0.00 -0.55 0.00 0.00 41.25 38.71 3h3v s ASN 1074CO 0.03 -4.09 0.79 0.61 -2.79 0.00 0.00 177.10 171.65 3h3v n GLY 1075N 6.28 -0.40 0.30 1.21 0.00 -1.25 -0.49 105.19 110.83 3h3v n GLY 1075Ca 0.43 0.39 -0.11 0.00 0.00 0.00 0.00 46.02 46.73 3h3v n GLY 1075CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3h3v h HIS 1076N 0.00 -0.73 0.00 1.61 3.86 -1.78 -3.37 115.15 114.74 3h3v h HIS 1076Ca 0.44 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.61 3h3v h HIS 1076Cb 1.30 0.25 -0.00 0.00 1.06 0.00 0.00 27.41 30.01 3h3v h HIS 1076CO -0.00 -0.43 -0.16 1.79 0.86 0.00 0.00 177.93 179.99 3h3v h THR 1077N -0.72 0.80 0.00 2.45 1.35 -1.62 -3.49 112.91 111.69 3h3v h THR 1077Ca -0.07 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 3h3v h THR 1077Cb 0.56 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3h3v h THR 1077CO 0.09 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 3h3v n GLY 1078N 1.67 0.93 3.20 5.82 0.00 0.36 -5.06 105.19 112.11 3h3v n GLY 1078Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 3h3v n GLY 1078CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3h3v n LYS 1079N 0.00 -4.10 -2.70 1.61 4.81 -1.26 -4.57 118.16 111.95 3h3v n LYS 1079Ca 0.00 -1.53 -0.21 0.00 -0.87 0.00 0.00 58.31 55.70 3h3v n LYS 1079Cb 0.00 -1.73 0.03 0.00 0.02 0.00 0.00 35.03 33.35 3h3v n LYS 1079CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3h3v s LYS 1080N -5.17 2.63 -0.49 1.64 1.02 -1.26 -0.64 119.74 117.46 3h3v s LYS 1080Ca 0.66 -0.75 -0.14 0.00 0.02 0.00 0.00 55.97 55.76 3h3v s LYS 1080Cb -0.09 -2.51 0.10 0.00 -0.52 0.00 0.00 37.83 34.81 3h3v s LYS 1080CO 0.54 -0.63 0.41 -0.51 -0.92 0.00 0.00 175.35 174.23 3h3v s LEU 1081N -4.72 5.78 0.45 3.17 2.01 0.08 -4.48 118.68 120.97 3h3v s LEU 1081Ca 0.56 -1.59 0.34 0.00 0.01 0.00 0.00 54.13 53.45 3h3v s LEU 1081Cb -0.10 -2.15 1.16 0.00 0.01 0.00 0.00 46.19 45.10 3h3v s LEU 1081CO 0.38 -0.72 1.16 0.80 1.01 0.00 0.00 176.35 178.99 3h3v n MET 1082N 5.15 0.00 -4.46 1.70 0.00 -1.26 -4.17 117.12 114.08 3h3v n MET 1082Ca -0.12 0.84 -0.23 0.00 -0.00 0.00 0.00 57.70 58.18 3h3v n MET 1082Cb 0.42 -1.99 -0.10 0.00 0.00 0.00 0.00 33.22 31.55 3h3v n MET 1082CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3h3v s ALA 1083N -4.28 2.66 -0.11 -5.12 0.00 -1.26 -5.13 121.76 108.51 3h3v s ALA 1083Ca -0.03 -1.89 -0.04 0.00 0.00 0.00 0.00 51.96 49.99 3h3v s ALA 1083Cb 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 3h3v s ALA 1083CO 0.59 0.19 0.04 -0.65 0.00 0.00 0.00 175.76 175.93 3h3v s GLN 1084N -3.56 3.29 0.43 0.00 1.11 -1.26 -4.73 119.66 114.94 3h3v s GLN 1084Ca 0.29 -0.35 -0.09 0.00 0.01 0.00 0.00 55.36 55.23 3h3v s GLN 1084Cb -0.02 -2.95 -0.05 0.00 -1.01 0.00 0.00 33.01 28.97 3h3v s GLN 1084CO 0.14 0.61 0.77 0.42 0.01 0.00 0.00 175.29 177.25 3h3v s ILE 1085N -0.61 4.83 -0.91 1.08 1.09 -1.18 -4.79 121.20 120.71 3h3v s ILE 1085Ca 0.11 0.48 -0.17 0.00 -1.10 0.00 0.00 60.65 59.97 3h3v s ILE 1085Cb -0.12 -3.78 0.17 0.00 -1.06 0.00 0.00 42.46 37.67 3h3v s ILE 1085CO 0.02 -0.63 1.01 0.12 -0.10 0.00 0.00 174.94 175.37 3h3v s PHE 1086N -2.49 3.40 0.90 3.97 5.36 -1.24 -1.57 117.98 126.30 3h3v s PHE 1086Ca 0.50 -1.68 -0.11 0.00 -0.96 0.00 0.00 56.93 54.68 3h3v s PHE 1086Cb -0.10 -4.11 0.19 0.00 -0.34 0.00 0.00 43.02 38.66 3h3v s PHE 1086CO 0.36 -1.29 1.23 0.12 -1.46 0.00 0.00 175.22 174.18 3h3v s PHE 1087N 1.62 1.37 0.00 10.12 5.36 -1.26 -2.59 117.98 132.61 3h3v s PHE 1087Ca 0.28 0.03 0.00 0.00 -0.96 0.00 0.00 56.93 56.28 3h3v s PHE 1087Cb -0.07 -3.77 0.00 0.00 -0.34 0.00 0.00 43.02 38.84 3h3v s PHE 1087CO -0.09 -2.44 0.00 0.41 -1.46 0.00 0.00 175.22 171.64 3h3v n GLY 1088N -3.49 3.23 3.50 13.12 0.00 -1.25 -4.79 105.19 115.51 3h3v n GLY 1088Ca 0.16 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 3h3v n GLY 1088CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h3v n PRO 1089N -0.05 -1.44 -3.60 1.61 -0.04 -1.26 -2.17 135.00 128.05 3h3v n PRO 1089Ca 0.00 -0.38 -0.08 0.00 -0.04 0.00 0.00 63.50 63.00 3h3v n PRO 1089Cb 0.00 -2.13 -0.05 0.00 -0.04 0.00 0.00 33.50 31.28 3h3v n PRO 1089CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3h3v s THR 1090N -2.46 0.00 0.09 0.52 2.01 -0.99 -4.22 115.64 110.59 3h3v s THR 1090Ca 0.65 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.35 3h3v s THR 1090Cb -0.22 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.23 3h3v s THR 1090CO 0.63 0.00 0.99 -0.47 -0.69 0.00 0.00 174.62 175.08 3h3v s TYR 1091N -0.96 3.73 -0.12 4.92 5.04 -1.26 0.21 117.35 128.92 3h3v s TYR 1091Ca 0.02 1.73 -0.01 0.00 -2.44 0.00 0.00 57.07 56.36 3h3v s TYR 1091Cb -0.01 -3.11 0.04 0.00 0.35 0.00 0.00 41.96 39.22 3h3v s TYR 1091CO -0.02 -0.00 -0.01 0.71 -1.34 0.00 0.00 175.55 174.88 3h3v s TYR 1092N 0.29 1.06 0.14 4.97 4.12 0.28 -4.48 117.35 123.73 3h3v s TYR 1092Ca 0.49 -0.56 -0.20 0.00 0.02 0.00 0.00 57.07 56.82 3h3v s TYR 1092Cb -0.24 -1.01 -0.07 0.00 -1.52 0.00 0.00 41.96 39.12 3h3v s TYR 1092CO 0.30 -0.47 0.65 -0.65 0.02 0.00 0.00 175.55 175.40 3h3v s GLN 1093N 1.85 4.26 -0.65 -0.62 -0.21 -0.15 -2.66 119.66 121.48 3h3v s GLN 1093Ca 0.03 0.83 -0.15 0.00 0.02 0.00 0.00 55.36 56.08 3h3v s GLN 1093Cb -0.14 -3.11 0.16 0.00 1.00 0.00 0.00 33.01 30.92 3h3v s GLN 1093CO -0.07 0.54 0.61 0.50 -2.12 0.00 0.00 175.29 174.76 3h3v s ARG 1094N -1.45 3.21 0.36 2.91 3.52 -1.26 -1.99 118.95 124.26 3h3v s ARG 1094Ca 0.35 -1.96 -0.25 0.00 -0.13 0.00 0.00 55.73 53.74 3h3v s ARG 1094Cb -0.19 -4.35 -0.10 0.00 -1.56 0.00 0.00 34.95 28.75 3h3v s ARG 1094CO 0.21 -1.33 0.99 -0.48 -0.81 0.00 0.00 175.30 173.88 3h3v s LEU 1095N 1.16 4.24 0.00 -0.88 0.05 -1.25 -2.11 118.68 119.89 3h3v s LEU 1095Ca 0.09 1.92 0.00 0.00 0.05 0.00 0.00 54.13 56.19 3h3v s LEU 1095Cb -0.23 -4.11 0.00 0.00 -2.05 0.00 0.00 46.19 39.81 3h3v s LEU 1095CO -0.01 -0.26 0.00 -2.11 -0.55 0.00 0.00 176.35 173.42 3h3v n ARG 1096N 0.25 1.31 -1.93 1.48 1.85 0.19 -4.55 116.66 115.27 3h3v n ARG 1096Ca 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.86 3h3v n ARG 1096Cb 0.50 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.92 3h3v n ARG 1096CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3h3v n HIS 1097N -0.61 -0.41 -2.54 2.89 8.25 -1.26 -4.70 115.22 116.84 3h3v n HIS 1097Ca 0.00 0.15 -0.28 0.00 -0.26 0.00 0.00 57.72 57.33 3h3v n HIS 1097Cb 0.00 -2.71 -0.00 0.00 1.12 0.00 0.00 29.99 28.40 3h3v n HIS 1097CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3h3v s MET 1098N -3.52 3.55 0.05 -0.41 -1.94 -1.26 -4.25 119.30 111.52 3h3v s MET 1098Ca 0.06 0.28 -0.19 0.00 -1.71 0.00 0.00 55.69 54.13 3h3v s MET 1098Cb -0.01 -2.34 -0.09 0.00 2.01 0.00 0.00 34.83 34.41 3h3v s MET 1098CO 0.13 -0.25 1.30 -0.24 -0.01 0.00 0.00 175.02 175.94 3h3v h VAL 1099N 0.17 0.00 0.00 -6.03 3.04 -1.92 -2.17 116.25 109.33 3h3v h VAL 1099Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 3h3v h VAL 1099Cb 1.20 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 3h3v h VAL 1099CO 0.62 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.65 3h3v n ASP 1100N -4.02 0.00 -0.52 3.17 8.00 -1.26 0.15 116.55 122.06 3h3v n ASP 1100Ca -0.06 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.53 3h3v n ASP 1100Cb 0.24 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.37 3h3v n ASP 1100CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3h3v n ASP 1101N -0.77 2.02 0.00 -2.24 8.00 -0.82 -4.61 116.55 118.14 3h3v n ASP 1101Ca 0.00 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 53.99 3h3v n ASP 1101Cb 0.00 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 3h3v n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3h3v n LYS 1102N 0.34 2.22 -1.65 -1.24 5.02 0.39 -4.98 118.16 118.25 3h3v n LYS 1102Ca 0.09 0.00 -0.62 0.00 -2.02 0.00 0.00 58.31 55.76 3h3v n LYS 1102Cb 0.40 -0.84 -0.08 0.00 -0.02 0.00 0.00 35.03 34.48 3h3v n LYS 1102CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3h3v n ILE 1103N -1.65 0.05 -3.69 -0.18 -0.00 -0.78 -4.91 119.36 108.20 3h3v n ILE 1103Ca 0.00 -0.01 -0.15 0.00 -0.00 0.00 0.00 62.75 62.59 3h3v n ILE 1103Cb 0.34 -0.52 -0.15 0.00 -0.00 0.00 0.00 39.64 39.32 3h3v n ILE 1103CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 3h3v s HIS 1104N 1.93 -0.22 0.04 1.39 2.46 -1.26 -5.02 115.29 114.61 3h3v s HIS 1104Ca 0.97 0.65 0.02 0.00 0.47 0.00 0.00 55.06 57.17 3h3v s HIS 1104Cb -1.29 -0.15 -0.02 0.00 -0.13 0.00 0.00 32.58 30.98 3h3v s HIS 1104CO 0.68 -0.25 -0.08 0.00 -2.47 0.00 0.00 174.74 172.62 3h3v s ALA 1105N 1.92 0.56 -0.09 1.58 0.00 -1.26 -5.05 121.76 119.41 3h3v s ALA 1105Ca -0.02 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 3h3v s ALA 1105Cb -0.12 0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.12 3h3v s ALA 1105CO -0.06 -0.02 0.73 0.50 0.00 0.00 0.00 175.76 176.91 3h3v s ARG 1106N -1.55 0.97 -0.34 0.00 3.52 -1.26 -4.99 118.95 115.30 3h3v s ARG 1106Ca -0.10 0.34 0.02 0.00 -0.13 0.00 0.00 55.73 55.86 3h3v s ARG 1106Cb -0.10 0.46 0.15 0.00 -1.56 0.00 0.00 34.95 33.90 3h3v s ARG 1106CO 0.00 -0.28 0.37 0.00 -0.81 0.00 0.00 175.30 174.59 3h3v s ALA 1107N -0.97 -0.67 0.41 6.12 0.00 -1.26 -4.98 121.76 120.41 3h3v s ALA 1107Ca -0.08 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3h3v s ALA 1107Cb -0.01 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.08 3h3v s ALA 1107CO 0.08 -1.97 0.00 -2.13 0.00 0.00 0.00 175.76 171.73 3h3v n ARG 1108N 4.71 -5.11 0.00 0.00 0.63 -1.26 -5.08 116.66 110.54 3h3v n ARG 1108Ca 0.06 3.71 0.00 0.00 -0.92 0.00 0.00 57.85 60.70 3h3v n ARG 1108Cb 0.47 -4.13 0.00 0.00 0.45 0.00 0.00 32.46 29.25 3h3v n ARG 1108CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3h3v n GLY 1109N 0.28 1.10 3.69 5.14 0.00 -1.26 -5.13 105.19 109.01 3h3v n GLY 1109Ca 0.00 0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 3h3v n GLY 1109CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h3v n PRO 1110N 0.00 2.41 -5.23 1.61 -0.04 -1.26 -4.98 135.00 127.51 3h3v n PRO 1110Ca 0.00 0.87 -0.32 0.00 -0.04 0.00 0.00 63.50 64.01 3h3v n PRO 1110Cb 0.00 -2.67 -0.16 0.00 -0.04 0.00 0.00 33.50 30.63 3h3v n PRO 1110CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3h3v s MET 1111N 1.01 2.54 1.03 0.54 -1.94 -1.26 -2.22 119.30 119.00 3h3v s MET 1111Ca 0.77 -0.89 -0.17 0.00 -1.71 0.00 0.00 55.69 53.69 3h3v s MET 1111Cb -0.61 -2.18 0.09 0.00 2.01 0.00 0.00 34.83 34.14 3h3v s MET 1111CO 0.35 0.41 -0.08 0.94 -0.01 0.00 0.00 175.02 176.63 3h3v n GLN 1112N 2.88 -1.64 -0.10 2.03 7.27 0.22 -4.84 117.38 123.21 3h3v n GLN 1112Ca -0.17 -0.48 -0.17 0.00 0.07 0.00 0.00 57.00 56.25 3h3v n GLN 1112Cb 0.52 -1.47 -0.08 0.00 2.41 0.00 0.00 30.24 31.61 3h3v n GLN 1112CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3h3v n VAL 1113N -4.25 1.12 0.08 1.69 0.31 -1.26 -3.29 118.33 112.74 3h3v n VAL 1113Ca 0.02 -0.37 -0.11 0.00 -0.01 0.00 0.00 64.34 63.88 3h3v n VAL 1113Cb 0.50 -1.45 -0.05 0.00 -0.91 0.00 0.00 33.84 31.93 3h3v n VAL 1113CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3h3v h LEU 1114N -0.33 0.36 0.00 7.52 5.85 -1.98 -3.35 115.31 123.37 3h3v h LEU 1114Ca -0.48 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 57.94 3h3v h LEU 1114Cb 1.58 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.50 3h3v h LEU 1114CO -0.18 1.14 -1.52 0.41 -0.34 0.00 0.00 178.44 177.95 3h3v n THR 1115N -3.64 0.00 -3.05 1.05 -1.04 -1.26 -4.98 114.28 101.36 3h3v n THR 1115Ca -0.05 -0.32 -0.21 0.00 -2.04 0.00 0.00 64.05 61.43 3h3v n THR 1115Cb 0.86 0.33 0.01 0.00 -1.82 0.00 0.00 70.33 69.71 3h3v n THR 1115CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3h3v n ARG 1116N -1.91 -3.78 -4.07 -2.82 1.74 -1.21 -4.49 116.66 100.12 3h3v n ARG 1116Ca -0.02 0.70 -0.23 0.00 -0.77 0.00 0.00 57.85 57.53 3h3v n ARG 1116Cb 0.38 -5.46 -0.06 0.00 -1.02 0.00 0.00 32.46 26.30 3h3v n ARG 1116CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3h3v s GLN 1117N -5.70 2.34 0.18 5.56 -0.21 -1.26 -4.39 119.66 116.17 3h3v s GLN 1117Ca 0.29 -1.62 -0.32 0.00 0.02 0.00 0.00 55.36 53.73 3h3v s GLN 1117Cb -0.14 -2.14 -0.12 0.00 1.00 0.00 0.00 33.01 31.62 3h3v s GLN 1117CO 0.35 0.04 1.76 -2.30 -2.12 0.00 0.00 175.29 173.02 3h3v n PRO 1118N -1.19 2.78 -0.77 2.91 -0.02 -1.26 0.72 135.00 138.16 3h3v n PRO 1118Ca -0.02 1.00 -0.29 0.00 -2.02 0.00 0.00 63.50 62.17 3h3v n PRO 1118Cb 0.62 -2.87 0.20 0.00 -0.02 0.00 0.00 33.50 31.43 3h3v n PRO 1118CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3h3v s VAL 1119N 1.69 2.20 -0.01 -1.45 -7.23 -0.94 -4.65 120.40 110.01 3h3v s VAL 1119Ca 0.77 0.06 -0.01 0.00 -1.81 0.00 0.00 61.98 61.00 3h3v s VAL 1119Cb -0.50 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 3h3v s VAL 1119CO 0.34 -0.08 0.10 -0.70 -0.31 0.00 0.00 175.10 174.44 3h3v s GLU 1120N -4.65 3.13 0.00 4.82 2.12 -1.26 -1.26 118.70 121.60 3h3v s GLU 1120Ca 0.67 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.55 3h3v s GLU 1120Cb -0.22 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.26 3h3v s GLU 1120CO 0.61 0.66 0.00 0.41 -0.54 0.00 0.00 175.26 176.39 3h3v n GLY 1121N 1.19 1.88 0.33 -1.50 0.00 -1.26 -4.67 105.19 101.16 3h3v n GLY 1121Ca -0.13 -1.06 0.15 0.00 0.00 0.00 0.00 46.02 44.99 3h3v n GLY 1121CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h3v h ARG 1122N 0.00 0.00 0.00 1.61 0.11 -1.93 0.27 114.38 114.44 3h3v h ARG 1122Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 3h3v h ARG 1122Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 3h3v h ARG 1122CO 0.00 0.00 -0.00 0.66 0.10 0.00 0.00 179.97 180.73 3h3v h SER 1123N 0.00 0.00 -0.03 0.08 4.64 -1.97 -2.75 113.55 113.53 3h3v h SER 1123Ca 0.13 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3h3v h SER 1123Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3h3v h SER 1123CO -0.00 0.00 -0.10 0.54 -0.87 0.00 0.00 176.83 176.40 3h3v n ARG 1124N -3.10 1.46 -1.18 4.77 1.74 0.67 -4.89 116.66 116.14 3h3v n ARG 1124Ca -0.02 -2.75 -0.06 0.00 -0.77 0.00 0.00 57.85 54.25 3h3v n ARG 1124Cb 0.15 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 3h3v n ARG 1124CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3h3v n ASP 1125N -1.31 -4.10 -3.78 0.55 -0.08 -1.04 -4.71 116.55 102.09 3h3v n ASP 1125Ca 0.17 0.15 -0.15 0.00 -1.51 0.00 0.00 54.79 53.46 3h3v n ASP 1125Cb 0.68 -2.14 0.06 0.00 2.34 0.00 0.00 41.12 42.05 3h3v n ASP 1125CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3h3v n GLY 1126N -1.76 -1.90 3.21 0.27 0.00 0.37 -4.63 105.19 100.76 3h3v n GLY 1126Ca -0.06 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 3h3v n GLY 1126CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h3v s GLY 1127N -1.32 1.06 1.12 -0.02 0.00 -0.39 -4.71 107.32 103.06 3h3v s GLY 1127Ca 0.20 -0.89 -0.13 0.00 0.00 0.00 0.00 44.72 43.91 3h3v s GLY 1127CO 0.26 -0.64 0.93 1.04 0.00 0.00 0.00 173.10 174.69 3h3v n LEU 1128N 2.78 -0.57 -4.60 0.66 4.77 -1.26 -4.80 117.00 113.98 3h3v n LEU 1128Ca -0.16 -0.03 -0.34 0.00 -0.03 0.00 0.00 56.01 55.44 3h3v n LEU 1128Cb 0.53 -1.27 -0.11 0.00 -2.33 0.00 0.00 43.42 40.23 3h3v n LEU 1128CO 0.24 -3.07 -0.37 -0.60 -1.33 0.00 0.00 177.39 172.26 3h3v s ARG 1129N -4.33 2.75 -0.64 3.23 3.52 -1.26 -5.02 118.95 117.21 3h3v s ARG 1129Ca 0.67 -0.55 0.02 0.00 -0.13 0.00 0.00 55.73 55.73 3h3v s ARG 1129Cb -0.24 -2.61 0.39 0.00 -1.56 0.00 0.00 34.95 30.93 3h3v s ARG 1129CO 0.64 0.66 1.53 0.34 -0.81 0.00 0.00 175.30 177.66 3h3v n PHE 1130N 2.10 3.23 -0.16 5.12 7.35 -1.26 -5.03 117.46 128.80 3h3v n PHE 1130Ca -0.18 -2.77 -0.08 0.00 -0.76 0.00 0.00 57.45 53.66 3h3v n PHE 1130Cb 0.53 -0.60 0.08 0.00 0.35 0.00 0.00 39.48 39.84 3h3v n PHE 1130CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3h3v n GLY 1131N -0.49 -2.54 0.47 7.13 0.00 -1.26 -4.39 105.19 104.10 3h3v n GLY 1131Ca 0.46 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 3h3v n GLY 1131CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h3v h GLU 1132N 0.00 -0.53 -0.84 1.61 5.08 -1.99 -2.19 114.58 115.72 3h3v h GLU 1132Ca -0.11 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.41 3h3v h GLU 1132Cb 0.36 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 29.60 3h3v h GLU 1132CO 0.06 -0.35 -0.36 -1.33 -1.00 0.00 0.00 179.01 176.03 3h3v n MET 1133N -5.42 -0.23 -0.04 2.33 2.81 -1.26 0.69 117.12 116.00 3h3v n MET 1133Ca -0.06 1.29 -0.09 0.00 -1.81 0.00 0.00 57.70 57.03 3h3v n MET 1133Cb 0.37 -1.91 -0.03 0.00 -0.71 0.00 0.00 33.22 30.95 3h3v n MET 1133CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3h3v h GLU 1134N 0.00 0.04 0.00 0.03 3.07 -1.74 -2.97 114.58 113.00 3h3v h GLU 1134Ca 0.26 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 3h3v h GLU 1134Cb 0.47 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3h3v h GLU 1134CO -0.82 0.03 0.00 -2.13 -1.40 0.00 0.00 179.01 174.68 3h3v n ARG 1135N -5.15 0.00 -0.12 2.33 0.63 0.22 -2.31 116.66 112.25 3h3v n ARG 1135Ca -0.03 0.77 -0.03 0.00 -0.92 0.00 0.00 57.85 57.64 3h3v n ARG 1135Cb 0.11 -1.47 -0.03 0.00 0.45 0.00 0.00 32.46 31.52 3h3v n ARG 1135CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3h3v n ASP 1136N -2.49 -0.30 -0.31 6.15 8.00 -0.52 0.73 116.55 127.80 3h3v n ASP 1136Ca 0.00 0.63 -0.03 0.00 0.71 0.00 0.00 54.79 56.10 3h3v n ASP 1136Cb 0.00 -0.13 0.02 0.00 -0.02 0.00 0.00 41.12 41.00 3h3v n ASP 1136CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h3v h MET 1138N -0.07 0.83 0.00 0.00 2.86 0.60 -0.21 114.93 118.95 3h3v h MET 1138Ca 0.30 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 3h3v h MET 1138Cb 0.58 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 3h3v h MET 1138CO -0.87 0.55 -0.04 0.82 1.06 0.00 0.00 176.91 178.44 3h3v h ILE 1139N 0.86 0.90 -0.08 -1.22 2.04 -0.16 0.18 117.51 120.03 3h3v h ILE 1139Ca 0.25 -0.13 -0.15 0.00 1.00 0.00 0.00 64.86 65.84 3h3v h ILE 1139Cb -0.06 1.07 0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3h3v h ILE 1139CO -0.07 0.03 -0.53 0.00 0.00 0.00 0.00 178.15 177.58 3h3v h ALA 1140N 1.96 0.17 0.00 1.87 0.00 0.30 -3.14 119.26 120.43 3h3v h ALA 1140Ca -0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 3h3v h ALA 1140Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3h3v h ALA 1140CO 0.00 0.38 -0.17 0.45 0.00 0.00 0.00 179.25 179.91 3h3v h HIS 1141N 0.07 0.00 0.00 0.00 3.86 0.48 -3.46 115.15 116.10 3h3v h HIS 1141Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3h3v h HIS 1141Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 3h3v h HIS 1141CO 0.12 0.17 0.00 0.41 0.86 0.00 0.00 177.93 179.49 3h3v n GLY 1142N -0.96 0.74 3.07 2.45 0.00 0.48 -4.94 105.19 106.04 3h3v n GLY 1142Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3h3v n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3v n ALA 1143N -0.59 2.41 -0.00 4.61 0.00 -1.04 -4.73 120.51 121.16 3h3v n ALA 1143Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 53.44 51.37 3h3v n ALA 1143Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 19.45 16.19 3h3v n ALA 1143CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h3v n ALA 1144N 6.57 -0.22 -0.12 0.00 0.00 -1.26 -0.78 120.51 124.69 3h3v n ALA 1144Ca 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.74 3h3v n ALA 1144Cb 0.25 0.28 0.01 0.00 0.00 0.00 0.00 19.45 19.99 3h3v n ALA 1144CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3h3v h SER 1145N 0.00 -0.80 -0.15 0.00 0.02 -1.99 -0.63 113.55 109.99 3h3v h SER 1145Ca 0.00 0.17 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 3h3v h SER 1145Cb 0.00 0.41 -0.06 0.00 0.14 0.00 0.00 62.40 62.90 3h3v h SER 1145CO 0.00 -0.26 -0.23 0.15 -1.14 0.00 0.00 176.83 175.34 3h3v h PHE 1146N -0.16 -0.62 0.08 3.45 3.57 -1.93 0.32 116.94 121.65 3h3v h PHE 1146Ca 0.20 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.74 3h3v h PHE 1146Cb 0.47 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 3h3v h PHE 1146CO -0.48 -0.31 -0.35 1.25 -2.23 0.00 0.00 178.31 176.18 3h3v h LEU 1147N -0.29 -1.07 -1.00 0.59 6.46 -0.11 -0.78 115.31 119.13 3h3v h LEU 1147Ca 0.11 0.11 0.31 0.00 -0.12 0.00 0.00 57.88 58.29 3h3v h LEU 1147Cb 0.45 0.39 -0.15 0.00 -0.73 0.00 0.00 40.66 40.62 3h3v h LEU 1147CO -0.32 -0.37 0.55 0.50 -0.62 0.00 0.00 178.44 178.18 3h3v h LYS 1148N -0.51 0.34 -0.43 1.25 3.11 -0.64 0.94 116.57 120.63 3h3v h LYS 1148Ca -0.00 -0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.74 3h3v h LYS 1148Cb 0.51 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.64 3h3v h LYS 1148CO -0.19 0.23 -0.03 1.49 -2.81 0.00 0.00 179.45 178.13 3h3v h GLU 1149N 0.35 0.72 -0.14 1.90 4.81 0.78 0.19 114.58 123.20 3h3v h GLU 1149Ca 0.71 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 59.67 3h3v h GLU 1149Cb 1.59 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.88 3h3v h GLU 1149CO -0.59 0.76 -0.21 0.00 -0.73 0.00 0.00 179.01 178.23 3h3v h ARG 1150N 0.67 0.39 -0.78 1.92 2.47 0.51 -2.56 114.38 117.00 3h3v h ARG 1150Ca 0.13 -0.23 -0.02 0.00 -1.26 0.00 0.00 59.98 58.59 3h3v h ARG 1150Cb 0.46 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.77 3h3v h ARG 1150CO 0.02 0.82 0.39 -0.07 0.56 0.00 0.00 179.97 181.69 3h3v h LEU 1151N -0.00 1.00 0.00 3.04 4.07 -1.07 -3.35 115.31 119.00 3h3v h LEU 1151Ca 0.01 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.87 3h3v h LEU 1151Cb 0.78 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.27 3h3v h LEU 1151CO 0.05 0.83 0.00 0.23 -1.08 0.00 0.00 178.44 178.47 3h3v n MET 1152N -4.33 0.00 -0.32 1.13 2.81 0.65 -3.98 117.12 113.08 3h3v n MET 1152Ca 0.08 0.00 0.21 0.00 -1.81 0.00 0.00 57.70 56.18 3h3v n MET 1152Cb 0.13 0.00 0.41 0.00 -0.71 0.00 0.00 33.22 33.05 3h3v n MET 1152CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3h3v h GLU 1153N 0.00 0.09 -1.54 0.03 3.07 -1.74 0.40 114.58 114.89 3h3v h GLU 1153Ca 0.00 -0.01 -0.34 0.00 -0.50 0.00 0.00 59.36 58.52 3h3v h GLU 1153Cb 0.00 -0.02 -0.14 0.00 -0.84 0.00 0.00 28.75 27.75 3h3v h GLU 1153CO 0.00 0.06 0.42 0.00 -1.40 0.00 0.00 179.01 178.09 3h3v n ALA 1154N -2.65 5.22 -2.00 3.43 0.00 -0.98 -4.83 120.51 118.70 3h3v n ALA 1154Ca 0.29 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.96 3h3v n ALA 1154Cb 0.94 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3h3v n ALA 1154CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h3v n SER 1155N 0.36 0.00 0.00 0.00 2.88 0.14 -4.85 113.62 112.15 3h3v n SER 1155Ca 0.32 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 3h3v n SER 1155Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 3h3v n SER 1155CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3h3v n ASP 1156N 0.00 0.00 -2.59 -3.46 8.00 -1.21 -4.90 116.55 112.39 3h3v n ASP 1156Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 3h3v n ASP 1156Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 3h3v n ASP 1156CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h3v n ALA 1157N -3.00 -3.17 -2.85 2.24 0.00 -1.25 -4.68 120.51 107.80 3h3v n ALA 1157Ca 0.00 1.92 -0.09 0.00 0.00 0.00 0.00 53.44 55.27 3h3v n ALA 1157Cb 0.00 -3.88 -0.11 0.00 0.00 0.00 0.00 19.45 15.46 3h3v n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3h3v s PHE 1158N -0.59 0.26 -0.31 0.00 5.36 0.24 -4.76 117.98 118.19 3h3v s PHE 1158Ca -0.22 -0.55 -0.03 0.00 -0.96 0.00 0.00 56.93 55.17 3h3v s PHE 1158Cb 0.01 -0.19 0.04 0.00 -0.34 0.00 0.00 43.02 42.54 3h3v s PHE 1158CO 0.59 -0.24 0.03 0.50 -1.46 0.00 0.00 175.22 174.63 3h3v s ARG 1159N -1.89 2.54 0.35 10.12 3.00 -1.26 -1.48 118.95 130.33 3h3v s ARG 1159Ca -0.12 -1.20 0.09 0.00 -1.00 0.00 0.00 55.73 53.50 3h3v s ARG 1159Cb -0.06 -3.25 -0.06 0.00 0.00 0.00 0.00 34.95 31.58 3h3v s ARG 1159CO -0.02 -0.61 -0.01 0.08 0.00 0.00 0.00 175.30 174.74 3h3v s VAL 1160N 1.31 2.47 0.26 7.11 1.01 -0.27 -4.91 120.40 127.38 3h3v s VAL 1160Ca -0.04 -2.03 0.08 0.00 0.00 0.00 0.00 61.98 59.99 3h3v s VAL 1160Cb -0.19 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 3h3v s VAL 1160CO -0.00 -0.18 0.12 -1.00 0.00 0.00 0.00 175.10 174.04 3h3v s HIS 1161N -2.56 2.95 0.04 5.22 3.76 -1.26 0.40 115.29 123.85 3h3v s HIS 1161Ca 0.34 -0.15 -0.00 0.00 -0.15 0.00 0.00 55.06 55.10 3h3v s HIS 1161Cb 0.01 -1.32 -0.03 0.00 1.11 0.00 0.00 32.58 32.35 3h3v s HIS 1161CO 0.19 0.56 -0.03 0.42 -0.85 0.00 0.00 174.74 175.02 3h3v s ILE 1162N -2.20 0.22 -0.24 0.60 1.01 0.50 -4.27 121.20 116.82 3h3v s ILE 1162Ca 0.32 -1.45 -0.25 0.00 0.00 0.00 0.00 60.65 59.27 3h3v s ILE 1162Cb -0.07 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.37 3h3v s ILE 1162CO 0.23 -0.78 0.84 0.00 0.00 0.00 0.00 174.94 175.23 3h3v h GLY 1164N 9.21 0.00 0.00 0.00 0.00 -1.49 -3.34 103.07 107.45 3h3v h GLY 1164Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3h3v h GLY 1164CO 0.88 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.81 3h3v n ILE 1165N -3.56 0.00 -2.23 2.60 5.41 -1.26 -4.75 119.36 115.57 3h3v n ILE 1165Ca 0.02 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.35 3h3v n ILE 1165Cb 0.40 -0.10 -0.03 0.00 -0.71 0.00 0.00 39.64 39.21 3h3v n ILE 1165CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h3v n GLY 1167N 5.30 -0.29 3.38 0.00 0.00 -1.26 -4.02 105.19 108.30 3h3v n GLY 1167Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 3h3v n GLY 1167CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h3v s LEU 1168N 11.54 1.84 0.21 0.99 1.43 -1.26 -2.69 118.68 130.75 3h3v s LEU 1168Ca 0.58 -1.42 0.22 0.00 -1.03 0.00 0.00 54.13 52.48 3h3v s LEU 1168Cb -0.02 -0.11 0.01 0.00 0.03 0.00 0.00 46.19 46.09 3h3v s LEU 1168CO 0.14 -0.72 1.06 0.24 0.23 0.00 0.00 176.35 177.30 3h3v h MET 1169N 2.24 0.00 -0.06 1.70 2.86 -1.88 -3.11 114.93 116.68 3h3v h MET 1169Ca -0.38 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.26 3h3v h MET 1169Cb 1.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 3h3v h MET 1169CO 0.63 0.02 -0.03 2.41 1.06 0.00 0.00 176.91 180.99 3h3v n THR 1170N -2.71 -0.04 -0.02 2.22 -1.04 -1.26 -4.72 114.28 106.71 3h3v n THR 1170Ca -0.00 0.54 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 3h3v n THR 1170Cb 0.57 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 3h3v n THR 1170CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3h3v n VAL 1171N -2.70 0.00 -1.93 12.58 0.31 -1.26 -4.68 118.33 120.65 3h3v n VAL 1171Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 3h3v n VAL 1171Cb 0.02 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.92 3h3v n VAL 1171CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3h3v n ILE 1172N 0.04 2.80 -2.52 2.52 5.41 -1.09 -4.90 119.36 121.61 3h3v n ILE 1172Ca 0.00 -2.72 -0.42 0.00 1.00 0.00 0.00 62.75 60.61 3h3v n ILE 1172Cb 0.00 -2.35 -0.03 0.00 -0.71 0.00 0.00 39.64 36.55 3h3v n ILE 1172CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h3v s ALA 1173N 6.05 3.37 -0.21 -1.39 0.00 -1.25 -4.38 121.76 123.95 3h3v s ALA 1173Ca 0.57 0.67 0.15 0.00 0.00 0.00 0.00 51.96 53.35 3h3v s ALA 1173Cb 0.07 -3.44 0.54 0.00 0.00 0.00 0.00 23.12 20.29 3h3v s ALA 1173CO 0.07 -0.51 1.46 1.63 0.00 0.00 0.00 175.76 178.41 3h3v n LYS 1174N 4.42 2.83 0.00 0.00 5.02 -1.10 -5.00 118.16 124.33 3h3v n LYS 1174Ca 0.09 -2.91 0.00 0.00 -2.02 0.00 0.00 58.31 53.46 3h3v n LYS 1174Cb 0.48 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 3h3v n LYS 1174CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3h3v n LEU 1175N -0.57 0.00 0.00 -0.35 4.77 -1.26 -3.10 117.00 116.49 3h3v n LEU 1175Ca 0.24 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3h3v n LEU 1175Cb 0.95 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 3h3v n LEU 1175CO 0.18 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.04 3h3v n ASN 1176N 0.00 0.00 -0.48 -1.43 2.85 -1.26 -4.86 115.26 110.08 3h3v n ASN 1176Ca 0.00 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.51 3h3v n ASN 1176Cb 0.00 0.13 0.11 0.00 1.24 0.00 0.00 39.78 41.26 3h3v n ASN 1176CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 3h3v n HIS 1177N -1.78 0.34 0.00 1.20 8.25 -1.18 -4.99 115.22 117.06 3h3v n HIS 1177Ca 0.00 -0.48 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 3h3v n HIS 1177Cb 0.00 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.08 3h3v n HIS 1177CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3h3v n ASN 1178N 0.29 0.00 -3.79 0.41 3.02 -1.26 -4.94 115.26 108.99 3h3v n ASN 1178Ca 0.09 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.26 3h3v n ASN 1178Cb 0.38 -0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.47 3h3v n ASN 1178CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h3v n GLN 1179N -0.31 0.00 0.00 3.52 6.02 -1.26 -4.72 117.38 120.63 3h3v n GLN 1179Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3h3v n GLN 1179Cb 0.00 -0.88 0.00 0.00 1.02 0.00 0.00 30.24 30.38 3h3v n GLN 1179CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3h3v n PHE 1180N -0.76 0.00 0.00 1.08 0.99 -1.26 -2.72 117.46 114.79 3h3v n PHE 1180Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.56 3h3v n PHE 1180Cb 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.81 3h3v n PHE 1180CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3h3v n GLU 1181N -0.79 0.00 0.00 -1.08 1.02 -1.26 -2.66 120.64 115.87 3h3v n GLU 1181Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3h3v n GLU 1181Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.52 3h3v n GLU 1181CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h3v n LYS 1183N 0.00 0.00 0.00 0.00 -0.00 -1.26 -2.05 118.16 114.85 3h3v n LYS 1183Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3h3v n LYS 1183Cb 0.00 -0.65 0.00 0.00 -0.00 0.00 0.00 35.03 34.38 3h3v n LYS 1183CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3h3v n GLY 1184N 2.27 3.03 0.00 2.58 0.00 -1.26 -3.95 105.19 107.87 3h3v n GLY 1184Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3h3v n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3v n ASP 1186N -1.43 -3.55 0.00 0.00 -0.08 -0.95 -5.05 116.55 105.49 3h3v n ASP 1186Ca 0.00 1.40 0.00 0.00 -1.51 0.00 0.00 54.79 54.68 3h3v n ASP 1186Cb 0.31 -4.47 0.00 0.00 2.34 0.00 0.00 41.12 39.29 3h3v n ASP 1186CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3h3v n ASN 1187N 1.90 0.00 0.00 1.67 2.85 -1.26 -4.90 115.26 115.53 3h3v n ASN 1187Ca -0.24 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.23 3h3v n ASN 1187Cb 0.37 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.39 3h3v n ASN 1187CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3h3v n LYS 1188N 0.00 0.00 0.04 1.20 5.02 -1.26 -4.66 118.16 118.51 3h3v n LYS 1188Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3h3v n LYS 1188Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3h3v n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3h3v n ILE 1189N -1.64 0.59 -3.06 -0.18 5.41 -1.26 -4.75 119.36 114.47 3h3v n ILE 1189Ca 0.00 0.19 -0.45 0.00 1.00 0.00 0.00 62.75 63.50 3h3v n ILE 1189Cb 0.00 -1.33 -0.03 0.00 -0.71 0.00 0.00 39.64 37.57 3h3v n ILE 1189CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3h3v s ASP 1190N -5.47 6.56 -0.10 4.38 2.15 -1.26 -4.98 116.67 117.94 3h3v s ASP 1190Ca 0.00 -2.04 -0.04 0.00 0.43 0.00 0.00 52.55 50.90 3h3v s ASP 1190Cb 0.00 -2.33 0.05 0.00 -0.30 0.00 0.00 42.92 40.34 3h3v s ASP 1190CO 0.00 -0.97 0.19 -0.63 -0.17 0.00 0.00 175.17 173.60 3h3v s ILE 1191N 2.12 -0.31 0.21 4.11 1.01 -1.26 -1.14 121.20 125.93 3h3v s ILE 1191Ca 0.24 0.32 0.08 0.00 0.00 0.00 0.00 60.65 61.29 3h3v s ILE 1191Cb -0.10 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 3h3v s ILE 1191CO -0.05 0.13 0.02 -0.31 0.00 0.00 0.00 174.94 174.73 3h3v s TYR 1192N 2.34 2.84 -0.07 3.97 1.51 -1.17 -4.92 117.35 121.85 3h3v s TYR 1192Ca 0.03 -0.15 0.04 0.00 -1.01 0.00 0.00 57.07 55.97 3h3v s TYR 1192Cb -0.12 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 3h3v s TYR 1192CO -0.07 0.54 -0.19 1.14 -1.11 0.00 0.00 175.55 175.86 3h3v s GLN 1193N -3.23 2.71 0.09 -0.62 -2.07 -1.26 -0.37 119.66 114.91 3h3v s GLN 1193Ca 0.29 -0.80 0.05 0.00 -1.82 0.00 0.00 55.36 53.09 3h3v s GLN 1193Cb -0.08 -2.33 -0.03 0.00 -1.09 0.00 0.00 33.01 29.48 3h3v s GLN 1193CO 0.20 0.42 -0.14 0.96 -1.32 0.00 0.00 175.29 175.41 3h3v s ILE 1194N -0.23 1.19 -0.32 3.63 -4.36 0.16 -4.96 121.20 116.31 3h3v s ILE 1194Ca -0.00 -1.48 -0.12 0.00 -0.26 0.00 0.00 60.65 58.78 3h3v s ILE 1194Cb -0.13 -1.27 -0.03 0.00 1.25 0.00 0.00 42.46 42.29 3h3v s ILE 1194CO 0.03 -0.31 0.23 -1.00 0.24 0.00 0.00 174.94 174.14 3h3v s HIS 1195N -1.65 3.23 0.22 1.37 3.76 -1.26 -1.11 115.29 119.85 3h3v s HIS 1195Ca 0.03 -0.11 -0.11 0.00 -0.15 0.00 0.00 55.06 54.72 3h3v s HIS 1195Cb -0.08 -2.46 -0.01 0.00 1.11 0.00 0.00 32.58 31.14 3h3v s HIS 1195CO 0.02 -0.31 0.40 0.96 -0.85 0.00 0.00 174.74 174.97 3h3v s ILE 1196N 1.75 0.02 0.42 0.60 -4.36 -0.55 -4.95 121.20 114.12 3h3v s ILE 1196Ca 0.07 -1.42 -0.25 0.00 -0.26 0.00 0.00 60.65 58.79 3h3v s ILE 1196Cb -0.17 -2.11 -0.08 0.00 1.25 0.00 0.00 42.46 41.35 3h3v s ILE 1196CO 0.11 -0.07 1.29 -2.16 0.24 0.00 0.00 174.94 174.34 3h3v s PRO 1197N -4.01 3.89 0.58 0.37 0.04 -1.26 -0.59 135.00 134.01 3h3v s PRO 1197Ca 0.22 2.11 0.30 0.00 0.04 0.00 0.00 61.00 63.67 3h3v s PRO 1197Cb 0.01 -2.68 1.75 0.00 0.04 0.00 0.00 34.50 33.63 3h3v s PRO 1197CO 0.07 -0.54 2.21 -0.92 0.04 0.00 0.00 177.00 177.85 3h3v h TYR 1198N 2.52 0.00 -0.00 0.56 3.20 -1.85 1.14 116.97 122.53 3h3v h TYR 1198Ca -0.50 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.37 3h3v h TYR 1198Cb 1.25 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.52 3h3v h TYR 1198CO 0.53 0.04 -0.00 0.00 -1.64 0.00 0.00 178.16 177.08 3h3v n ALA 1199N -2.29 2.60 -0.08 1.82 0.00 -1.26 -2.32 120.51 118.99 3h3v n ALA 1199Ca -0.03 -0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.18 3h3v n ALA 1199Cb 0.13 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 3h3v n ALA 1199CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h3v n ALA 1200N -1.11 0.58 -0.32 0.00 0.00 0.39 -2.56 120.51 117.49 3h3v n ALA 1200Ca 0.20 -0.54 0.16 0.00 0.00 0.00 0.00 53.44 53.25 3h3v n ALA 1200Cb 0.17 0.02 0.33 0.00 0.00 0.00 0.00 19.45 19.97 3h3v n ALA 1200CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3h3v h LYS 1201N -1.00 0.09 0.65 0.00 2.10 -1.42 0.42 116.57 117.42 3h3v h LYS 1201Ca -0.00 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 3h3v h LYS 1201Cb 0.66 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 31.98 3h3v h LYS 1201CO -0.00 0.06 -0.31 1.25 -2.00 0.00 0.00 179.45 178.45 3h3v h LEU 1202N 0.10 -0.74 -0.87 7.07 6.46 -1.63 0.55 115.31 126.25 3h3v h LEU 1202Ca 0.61 0.01 0.21 0.00 -0.12 0.00 0.00 57.88 58.59 3h3v h LEU 1202Cb 1.31 0.19 -0.16 0.00 -0.73 0.00 0.00 40.66 41.27 3h3v h LEU 1202CO -0.78 -0.51 -0.05 0.25 -0.62 0.00 0.00 178.44 176.73 3h3v h LEU 1203N -0.91 -0.53 0.69 2.25 5.85 0.05 0.62 115.31 123.33 3h3v h LEU 1203Ca -0.09 0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3h3v h LEU 1203Cb 0.68 0.45 0.01 0.00 0.37 0.00 0.00 40.66 42.17 3h3v h LEU 1203CO 0.15 -0.27 -0.33 -0.26 -0.34 0.00 0.00 178.44 177.39 3h3v h PHE 1204N 0.05 -0.86 -0.95 1.25 0.05 -0.91 -1.99 116.94 113.57 3h3v h PHE 1204Ca 0.48 -0.02 0.27 0.00 3.82 0.00 0.00 57.97 62.52 3h3v h PHE 1204Cb 0.87 0.28 -0.14 0.00 2.00 0.00 0.00 35.95 38.96 3h3v h PHE 1204CO -0.53 -0.53 0.46 1.96 -0.18 0.00 0.00 178.31 179.49 3h3v h GLN 1205N -1.07 0.34 -0.77 1.51 4.20 -0.09 0.81 115.11 120.04 3h3v h GLN 1205Ca -0.09 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 3h3v h GLN 1205Cb 0.71 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 3h3v h GLN 1205CO 0.16 0.22 0.37 0.93 -0.67 0.00 0.00 178.83 179.84 3h3v h GLU 1206N 0.35 1.11 -0.26 1.46 5.08 -0.81 0.73 114.58 122.24 3h3v h GLU 1206Ca 0.64 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.74 3h3v h GLU 1206Cb 1.35 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3h3v h GLU 1206CO -0.59 0.86 -0.25 -0.07 -1.00 0.00 0.00 179.01 177.96 3h3v h LEU 1207N 1.08 0.51 -0.38 1.33 3.38 0.13 -2.37 115.31 118.99 3h3v h LEU 1207Ca 0.26 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3h3v h LEU 1207Cb 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3h3v h LEU 1207CO -0.03 0.76 0.03 0.24 0.09 0.00 0.00 178.44 179.52 3h3v h MET 1208N 0.45 0.66 0.00 1.13 2.86 0.04 -0.18 114.93 119.89 3h3v h MET 1208Ca 0.06 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3h3v h MET 1208Cb 0.68 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.27 3h3v h MET 1208CO 0.05 0.74 0.00 0.00 1.06 0.00 0.00 176.91 178.76 3h3v h ALA 1209N 0.89 1.00 -0.70 6.32 0.00 -0.56 1.07 119.26 127.29 3h3v h ALA 1209Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3h3v h ALA 1209Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3h3v h ALA 1209CO 0.01 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 3h3v n MET 1210N -3.02 2.92 -3.12 0.00 2.00 -0.72 -4.97 117.12 110.22 3h3v n MET 1210Ca -0.02 -2.64 -0.13 0.00 0.00 0.00 0.00 57.70 54.90 3h3v n MET 1210Cb 0.12 -1.64 0.06 0.00 0.00 0.00 0.00 33.22 31.77 3h3v n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3h3v n ASN 1211N 1.49 -6.38 -3.83 7.83 2.85 0.37 -5.03 115.26 112.56 3h3v n ASN 1211Ca 0.24 -0.63 -0.15 0.00 -0.11 0.00 0.00 54.58 53.93 3h3v n ASN 1211Cb 0.67 -4.89 -0.16 0.00 1.24 0.00 0.00 39.78 36.64 3h3v n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3h3v s ILE 1212N -3.35 0.10 -0.47 -1.44 1.01 -0.17 -4.97 121.20 111.92 3h3v s ILE 1212Ca 0.41 0.08 -0.21 0.00 0.00 0.00 0.00 60.65 60.92 3h3v s ILE 1212Cb -0.05 -0.18 0.03 0.00 0.01 0.00 0.00 42.46 42.28 3h3v s ILE 1212CO 0.69 0.10 0.70 0.42 0.00 0.00 0.00 174.94 176.85 3h3v s THR 1213N 0.73 4.75 -0.73 2.92 -4.23 -1.26 -3.51 115.64 114.31 3h3v s THR 1213Ca -0.07 0.03 -0.16 0.00 -1.18 0.00 0.00 61.69 60.31 3h3v s THR 1213Cb -0.10 -4.29 0.16 0.00 1.34 0.00 0.00 72.50 69.61 3h3v s THR 1213CO -0.02 -0.74 0.75 -2.16 -0.54 0.00 0.00 174.62 171.91 3h3v s PRO 1214N 3.00 3.34 0.17 3.99 0.04 -1.26 -5.03 135.00 139.25 3h3v s PRO 1214Ca 0.23 -1.93 -0.30 0.00 0.04 0.00 0.00 61.00 59.04 3h3v s PRO 1214Cb -0.15 -4.43 -0.07 0.00 0.04 0.00 0.00 34.50 29.88 3h3v s PRO 1214CO 0.18 -1.43 1.02 1.03 0.04 0.00 0.00 177.00 177.84 3h3v s ARG 1215N 1.43 4.69 -0.29 4.56 1.81 -1.26 -4.74 118.95 125.16 3h3v s ARG 1215Ca 0.15 1.58 -0.03 0.00 -1.72 0.00 0.00 55.73 55.71 3h3v s ARG 1215Cb -0.17 -3.31 0.03 0.00 -0.45 0.00 0.00 34.95 31.06 3h3v s ARG 1215CO -0.03 0.23 0.01 -0.51 -0.68 0.00 0.00 175.30 174.32 3h3v s LEU 1216N -0.49 3.71 -0.17 2.53 1.43 -1.09 -4.91 118.68 119.69 3h3v s LEU 1216Ca 0.46 -1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 3h3v s LEU 1216Cb -0.27 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 3h3v s LEU 1216CO 0.33 -0.21 -0.12 -0.31 0.23 0.00 0.00 176.35 176.27 3h3v s TYR 1217N 1.35 2.84 -2.00 0.29 1.51 -1.26 -4.23 117.35 115.85 3h3v s TYR 1217Ca -0.01 -1.03 0.21 0.00 -1.01 0.00 0.00 57.07 55.22 3h3v s TYR 1217Cb -0.18 -1.95 1.25 0.00 -0.11 0.00 0.00 41.96 40.97 3h3v s TYR 1217CO -0.01 -0.50 1.66 0.25 -1.11 0.00 0.00 175.55 175.84 3h3v n THR 1218N 4.27 0.00 -3.70 -0.71 -2.24 -1.26 -4.74 114.28 105.91 3h3v n THR 1218Ca -0.19 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.48 3h3v n THR 1218Cb 0.51 -0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 68.06 3h3v n THR 1218CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3h3v s ASP 1219N -1.92 -0.55 0.51 3.42 1.47 -1.26 -5.16 116.67 113.18 3h3v s ASP 1219Ca 0.31 0.99 -0.17 0.00 1.18 0.00 0.00 52.55 54.87 3h3v s ASP 1219Cb 0.14 0.94 -0.08 0.00 -0.34 0.00 0.00 42.92 43.59 3h3v s ASP 1219CO 0.24 -0.18 0.99 0.00 0.68 0.00 0.00 175.17 176.90 3h3v s ARG 1220N 0.86 3.88 0.00 2.11 1.70 -1.26 -4.95 118.95 121.29 3h3v s ARG 1220Ca -0.05 1.04 0.00 0.00 -0.47 0.00 0.00 55.73 56.25 3h3v s ARG 1220Cb -0.06 -2.12 0.00 0.00 -0.57 0.00 0.00 34.95 32.20 3h3v s ARG 1220CO -0.07 -0.33 0.00 -1.13 -1.08 0.00 0.00 175.30 172.69 3h3v n SER 1221N -1.49 0.50 0.22 -2.89 3.41 -1.26 -4.76 113.62 107.35 3h3v n SER 1221Ca 0.07 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.74 3h3v n SER 1221Cb 0.54 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.79 3h3v n SER 1221CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3h3v h ARG 1222N 0.00 0.00 0.00 4.33 2.43 -2.07 -3.45 114.38 115.62 3h3v h ARG 1222Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3h3v h ARG 1222Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3h3v h ARG 1222CO 0.00 0.00 0.00 -3.47 -1.51 0.00 0.00 179.97 174.99 3h3v n ASP 1223N -2.20 0.00 0.00 -3.80 -0.08 -1.26 -5.36 116.55 103.85 3h3v n ASP 1223Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 3h3v n ASP 1223Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 3h3v n ASP 1223CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81