#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hoy n GLU 21 N 0.00 0.00 0.00 -1.24 0.28 -1.26 -0.94 120.64 117.48 3hoy n GLU 21 Ca 0.00 -0.76 0.00 0.00 -0.16 0.00 0.00 57.16 56.24 3hoy n GLU 21 Cb 0.00 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 30.64 3hoy n GLU 21 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 3hoy n SER 22 N 7.24 0.00 -3.97 -1.84 7.64 -1.26 -4.59 113.62 116.84 3hoy n SER 22 Ca 0.28 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 60.00 3hoy n SER 22 Cb 0.26 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.52 3hoy n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hoy n ALA 23 N 0.00 0.53 -1.00 -0.43 0.00 -0.12 -4.89 120.51 114.61 3hoy n ALA 23 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 51.98 3hoy n ALA 23 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3hoy n ALA 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hoy n PRO 24 N -2.11 2.44 -3.72 0.00 -0.04 -1.26 -2.64 135.00 127.68 3hoy n PRO 24 Ca 0.12 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.46 3hoy n PRO 24 Cb 0.43 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.76 3hoy n PRO 24 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3hoy s ILE 25 N 0.00 -0.04 0.00 0.52 1.01 -1.26 -1.08 121.20 120.35 3hoy s ILE 25 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.78 3hoy s ILE 25 Cb 0.00 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 42.02 3hoy s ILE 25 CO 0.00 0.05 0.00 0.35 0.00 0.00 0.00 174.94 175.34 3hoy n THR 26 N 4.26 0.00 0.02 2.92 -2.24 -1.26 -4.34 114.28 113.65 3hoy n THR 26 Ca -0.24 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.48 3hoy n THR 26 Cb 0.54 -1.89 -0.04 0.00 -2.10 0.00 0.00 70.33 66.84 3hoy n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hoy h ALA 27 N -1.77 -0.17 -0.06 6.98 0.00 -2.02 -3.27 119.26 118.96 3hoy h ALA 27 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3hoy h ALA 27 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hoy h ALA 27 CO 0.00 -0.17 0.63 1.49 0.00 0.00 0.00 179.25 181.20 3hoy h GLU 28 N -1.01 0.00 0.00 0.00 4.57 -2.01 0.20 114.58 116.34 3hoy h GLU 28 Ca -0.02 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 3hoy h GLU 28 Cb 0.32 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3hoy h GLU 28 CO 0.03 0.00 -0.30 -0.44 -1.18 0.00 0.00 179.01 177.11 3hoy h ASP 29 N 0.00 0.00 -0.69 1.04 3.32 -1.94 -3.13 116.42 115.03 3hoy h ASP 29 Ca 0.03 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3hoy h ASP 29 Cb 1.30 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.81 3hoy h ASP 29 CO -0.00 0.30 0.29 0.77 -1.72 0.00 0.00 179.24 178.89 3hoy h SER 30 N 0.00 0.95 -0.99 6.45 4.64 -0.75 -2.20 113.55 121.65 3hoy h SER 30 Ca -0.00 -0.13 0.21 0.00 -0.47 0.00 0.00 61.79 61.39 3hoy h SER 30 Cb 0.78 -0.25 -0.10 0.00 -0.31 0.00 0.00 62.40 62.53 3hoy h SER 30 CO 0.04 0.84 0.62 -0.50 -0.87 0.00 0.00 176.83 176.96 3hoy h TRP 31 N 1.02 0.90 -0.53 4.77 -0.00 -1.71 0.24 115.95 120.64 3hoy h TRP 31 Ca 0.24 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 59.20 3hoy h TRP 31 Cb 0.18 -0.27 -0.04 0.00 -0.00 0.00 0.00 29.16 29.03 3hoy h TRP 31 CO 0.02 0.19 0.29 0.00 -0.00 0.00 0.00 178.44 178.93 3hoy h ALA 32 N 1.64 0.69 -0.25 1.49 0.00 -1.56 0.57 119.26 121.84 3hoy h ALA 32 Ca 0.56 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.52 3hoy h ALA 32 Cb 1.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3hoy h ALA 32 CO -0.33 -0.05 0.04 0.28 0.00 0.00 0.00 179.25 179.20 3hoy h VAL 33 N 0.55 0.88 0.34 0.00 2.07 -0.59 -1.78 116.25 117.72 3hoy h VAL 33 Ca 0.23 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 3hoy h VAL 33 Cb 0.12 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3hoy h VAL 33 CO -0.15 0.02 -0.16 0.40 0.02 0.00 0.00 177.57 177.71 3hoy h ILE 34 N 0.14 0.68 -1.10 4.57 2.04 -0.64 0.14 117.51 123.33 3hoy h ILE 34 Ca 0.11 -0.16 0.38 0.00 1.00 0.00 0.00 64.86 66.19 3hoy h ILE 34 Cb 0.12 0.77 -0.15 0.00 -0.74 0.00 0.00 36.82 36.82 3hoy h ILE 34 CO -0.15 0.03 0.65 0.28 0.00 0.00 0.00 178.15 178.96 3hoy h SER 35 N -0.54 0.38 0.60 1.72 0.02 0.38 1.84 113.55 117.94 3hoy h SER 35 Ca -0.05 0.19 -0.16 0.00 -0.84 0.00 0.00 61.79 60.93 3hoy h SER 35 Cb 0.40 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 3hoy h SER 35 CO 0.08 -0.22 -0.72 0.00 -1.14 0.00 0.00 176.83 174.82 3hoy h ALA 36 N 1.80 0.76 0.41 3.77 0.00 -0.36 -2.93 119.26 122.72 3hoy h ALA 36 Ca 0.79 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hoy h ALA 36 Cb 2.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3hoy h ALA 36 CO -0.58 0.86 -0.20 0.35 0.00 0.00 0.00 179.25 179.68 3hoy h PHE 37 N 0.06 -0.51 0.00 0.00 3.57 0.48 -3.05 116.94 117.49 3hoy h PHE 37 Ca -0.02 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 3hoy h PHE 37 Cb 1.28 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 40.18 3hoy h PHE 37 CO 0.01 -0.23 -0.11 0.74 -2.23 0.00 0.00 178.31 176.49 3hoy h PHE 38 N -0.71 0.00 -0.56 0.41 -1.00 -1.50 -0.30 116.94 113.28 3hoy h PHE 38 Ca -0.06 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.67 3hoy h PHE 38 Cb 0.51 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.04 3hoy h PHE 38 CO -0.01 0.11 0.12 0.00 -1.61 0.00 0.00 178.31 176.92 3hoy h ARG 39 N 0.00 0.88 0.00 1.51 3.08 -1.41 -2.24 114.38 116.20 3hoy h ARG 39 Ca -0.00 -0.19 -0.24 0.00 0.07 0.00 0.00 59.98 59.62 3hoy h ARG 39 Cb 0.53 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 3hoy h ARG 39 CO 0.01 0.80 -1.33 -1.91 -1.07 0.00 0.00 179.97 176.47 3hoy n GLU 40 N -4.26 0.56 -0.05 0.04 2.13 -0.97 -4.73 120.64 113.36 3hoy n GLU 40 Ca 0.04 0.55 -0.00 0.00 0.66 0.00 0.00 57.16 58.41 3hoy n GLU 40 Cb 0.24 -1.72 -0.00 0.00 0.27 0.00 0.00 31.44 30.23 3hoy n GLU 40 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3hoy h LYS 41 N -1.00 0.00 0.00 5.31 1.79 -1.16 -3.51 116.57 118.00 3hoy h LYS 41 Ca -0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 3hoy h LYS 41 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 3hoy h LYS 41 CO -0.22 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.56 3hoy n GLY 42 N 1.79 -0.93 0.43 3.86 0.00 -0.84 -4.21 105.19 105.30 3hoy n GLY 42 Ca -0.00 -1.50 0.25 0.00 0.00 0.00 0.00 46.02 44.77 3hoy n GLY 42 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hoy h LEU 43 N 0.00 0.00 -2.64 0.99 3.38 -1.92 -1.07 115.31 114.04 3hoy h LEU 43 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hoy h LEU 43 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hoy h LEU 43 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.86 3hoy n VAL 44 N -4.00 0.86 0.00 1.22 0.24 -1.26 -4.83 118.33 110.56 3hoy n VAL 44 Ca 0.14 -0.93 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 3hoy n VAL 44 Cb 0.82 0.63 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 3hoy n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3hoy n SER 45 N 1.48 0.00 -0.34 -1.34 3.41 -0.41 -1.29 113.62 115.13 3hoy n SER 45 Ca 0.22 0.05 0.22 0.00 -0.26 0.00 0.00 58.87 59.10 3hoy n SER 45 Cb 0.59 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 65.00 3hoy n SER 45 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3hoy h GLN 46 N 0.00 0.36 0.00 4.33 -0.00 -1.88 0.11 115.11 118.04 3hoy h GLN 46 Ca 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 3hoy h GLN 46 Cb 0.00 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.48 27.40 3hoy h GLN 46 CO 0.00 0.24 -0.02 1.96 -0.00 0.00 0.00 178.83 181.01 3hoy h GLN 47 N 0.37 0.00 0.00 0.06 1.08 -1.52 -2.85 115.11 112.24 3hoy h GLN 47 Ca 0.71 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.91 3hoy h GLN 47 Cb 1.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.00 3hoy h GLN 47 CO -0.58 0.02 0.00 1.28 -0.95 0.00 0.00 178.83 178.59 3hoy n LEU 48 N -3.17 0.13 -0.21 1.46 4.77 0.35 -3.97 117.00 116.35 3hoy n LEU 48 Ca -0.02 0.13 0.06 0.00 -0.03 0.00 0.00 56.01 56.15 3hoy n LEU 48 Cb 0.18 -0.43 0.12 0.00 -2.33 0.00 0.00 43.42 40.96 3hoy n LEU 48 CO 0.24 -0.43 0.43 0.47 -1.33 0.00 0.00 177.39 176.78 3hoy n ASP 49 N -2.18 -0.16 -0.25 -1.43 8.00 -0.90 0.25 116.55 119.88 3hoy n ASP 49 Ca 0.00 1.04 -0.03 0.00 0.71 0.00 0.00 54.79 56.51 3hoy n ASP 49 Cb 0.00 -0.34 0.09 0.00 -0.02 0.00 0.00 41.12 40.85 3hoy n ASP 49 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3hoy h SER 50 N 0.00 0.67 -0.28 -2.24 0.87 -1.73 -1.23 113.55 109.61 3hoy h SER 50 Ca 0.32 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 3hoy h SER 50 Cb 0.57 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3hoy h SER 50 CO -0.60 0.45 0.12 0.15 -0.53 0.00 0.00 176.83 176.42 3hoy h PHE 51 N 0.80 0.43 0.01 2.24 3.57 0.32 -2.14 116.94 122.17 3hoy h PHE 51 Ca 0.29 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3hoy h PHE 51 Cb 0.09 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 3hoy h PHE 51 CO -0.05 0.42 -0.01 -0.91 -2.23 0.00 0.00 178.31 175.52 3hoy h ASN 52 N 0.31 -0.03 -1.03 0.41 2.35 -0.94 -0.83 115.58 115.82 3hoy h ASN 52 Ca 0.10 0.00 0.37 0.00 -0.55 0.00 0.00 56.30 56.22 3hoy h ASN 52 Cb 0.17 0.01 -0.11 0.00 0.05 0.00 0.00 38.32 38.43 3hoy h ASN 52 CO -0.01 -0.01 0.65 1.67 -1.65 0.00 0.00 177.43 178.08 3hoy n GLN 53 N -2.42 -0.03 0.25 0.81 -0.06 -0.50 0.52 117.38 115.95 3hoy n GLN 53 Ca -0.00 1.00 -0.14 0.00 -2.00 0.00 0.00 57.00 55.86 3hoy n GLN 53 Cb 0.01 -1.94 -0.07 0.00 -4.06 0.00 0.00 30.24 24.18 3hoy n GLN 53 CO 0.00 0.00 0.00 0.35 -0.20 0.00 0.00 177.06 177.21 3hoy h PHE 54 N 0.00 -0.61 0.47 3.69 3.57 -0.48 -2.40 116.94 121.18 3hoy h PHE 54 Ca 0.69 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 62.15 3hoy h PHE 54 Cb 2.15 0.20 0.00 0.00 2.79 0.00 0.00 35.95 41.10 3hoy h PHE 54 CO -0.01 -0.29 -0.23 0.28 -2.23 0.00 0.00 178.31 175.84 3hoy h VAL 55 N -0.98 0.38 -0.23 1.41 2.07 0.95 1.14 116.25 120.99 3hoy h VAL 55 Ca -0.07 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.01 3hoy h VAL 55 Cb 0.60 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 3hoy h VAL 55 CO 0.11 0.06 -0.50 0.44 0.02 0.00 0.00 177.57 177.70 3hoy h ASP 56 N -0.97 -1.64 0.00 0.57 3.32 -1.12 -3.34 116.42 113.24 3hoy h ASP 56 Ca -0.06 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3hoy h ASP 56 Cb 0.59 0.65 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3hoy h ASP 56 CO 0.11 -0.41 0.00 -1.22 -1.72 0.00 0.00 179.24 175.99 3hoy n TYR 57 N -5.17 0.00 -0.18 4.55 4.02 -1.03 -4.65 117.16 114.70 3hoy n TYR 57 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 3hoy n TYR 57 Cb 0.33 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.68 3hoy n TYR 57 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hoy n THR 58 N -1.39 -0.24 -0.19 -0.72 -1.04 -0.93 -0.74 114.28 109.03 3hoy n THR 58 Ca 0.00 1.12 -0.00 0.00 -2.04 0.00 0.00 64.05 63.13 3hoy n THR 58 Cb 0.00 -1.49 0.10 0.00 -1.82 0.00 0.00 70.33 67.11 3hoy n THR 58 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hoy h LEU 59 N 0.00 -0.02 0.64 -4.42 5.85 0.12 -1.33 115.31 116.15 3hoy h LEU 59 Ca 0.18 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 3hoy h LEU 59 Cb 0.30 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3hoy h LEU 59 CO -0.48 0.00 -0.46 -0.61 -0.34 0.00 0.00 178.44 176.55 3hoy h GLN 60 N 0.24 -1.02 -1.05 1.25 5.75 -1.12 -2.75 115.11 116.41 3hoy h GLN 60 Ca 0.30 0.07 0.32 0.00 -0.15 0.00 0.00 58.65 59.19 3hoy h GLN 60 Cb 0.44 0.23 -0.13 0.00 1.07 0.00 0.00 27.48 29.09 3hoy h GLN 60 CO -0.40 -0.68 0.63 -0.44 -2.65 0.00 0.00 178.83 175.29 3hoy h ASP 61 N -1.06 0.49 -0.03 -0.69 5.19 -1.33 0.64 116.42 119.64 3hoy h ASP 61 Ca -0.08 0.16 -0.09 0.00 -0.62 0.00 0.00 57.03 56.40 3hoy h ASP 61 Cb 0.88 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 3hoy h ASP 61 CO 0.03 -0.07 -0.24 0.40 -3.12 0.00 0.00 179.24 176.24 3hoy h ILE 62 N 0.34 1.26 0.00 0.35 2.04 -0.98 -2.32 117.51 118.19 3hoy h ILE 62 Ca 0.71 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3hoy h ILE 62 Cb 1.71 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 3hoy h ILE 62 CO -0.51 0.39 0.00 0.40 0.00 0.00 0.00 178.15 178.43 3hoy h ILE 63 N 0.39 0.00 -3.08 -0.67 5.03 0.53 -3.39 117.51 116.31 3hoy h ILE 63 Ca 0.06 -0.41 -0.59 0.00 -0.12 0.00 0.00 64.86 63.80 3hoy h ILE 63 Cb 0.64 1.35 -0.40 0.00 -3.03 0.00 0.00 36.82 35.37 3hoy h ILE 63 CO 0.05 0.00 -0.76 0.00 -0.68 0.00 0.00 178.15 176.76 3hoy n GLU 65 N 4.47 0.00 -0.17 0.00 0.28 -1.26 -4.82 120.64 119.14 3hoy n GLU 65 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 3hoy n GLU 65 Cb 0.40 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.27 3hoy n GLU 65 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3hoy n ASP 66 N 0.00 0.00 0.00 -1.84 5.75 -1.26 -5.05 116.55 114.15 3hoy n ASP 66 Ca 0.00 -0.43 0.00 0.00 -0.01 0.00 0.00 54.79 54.35 3hoy n ASP 66 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3hoy n ASP 66 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3hoy n SER 67 N 0.00 0.00 -1.86 -1.12 3.41 -1.26 -4.89 113.62 107.90 3hoy n SER 67 Ca 0.00 0.67 -0.17 0.00 -0.26 0.00 0.00 58.87 59.11 3hoy n SER 67 Cb 0.22 -0.17 0.01 0.00 -0.26 0.00 0.00 64.21 64.00 3hoy n SER 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3hoy n THR 68 N -1.23 0.00 -4.14 6.66 -1.04 -1.26 -4.96 114.28 108.31 3hoy n THR 68 Ca 0.00 -0.22 -0.11 0.00 -2.04 0.00 0.00 64.05 61.68 3hoy n THR 68 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 3hoy n THR 68 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hoy s LEU 69 N 2.57 2.44 0.00 -4.42 1.43 -1.26 -5.00 118.68 114.45 3hoy s LEU 69 Ca 0.23 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 3hoy s LEU 69 Cb -0.18 -0.10 0.00 0.00 0.03 0.00 0.00 46.19 45.94 3hoy s LEU 69 CO 0.31 -0.40 0.11 -0.38 0.23 0.00 0.00 176.35 176.23 3hoy n ILE 70 N 0.36 0.00 0.00 -0.59 5.41 -1.26 -4.83 119.36 118.46 3hoy n ILE 70 Ca -0.15 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.60 3hoy n ILE 70 Cb 0.59 -0.55 0.00 0.00 -0.71 0.00 0.00 39.64 38.97 3hoy n ILE 70 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3hoy n ILE 90 N 1.80 0.00 -2.94 1.39 5.41 -1.17 -5.19 119.36 118.66 3hoy n ILE 90 Ca 0.00 0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.55 3hoy n ILE 90 Cb 0.00 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 38.99 3hoy n ILE 90 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3hoy s SER 91 N -0.30 5.10 -0.26 4.38 1.04 -1.21 -3.98 113.70 118.47 3hoy s SER 91 Ca 0.00 -0.64 -0.01 0.00 0.48 0.00 0.00 55.95 55.79 3hoy s SER 91 Cb 0.00 -0.01 0.08 0.00 0.10 0.00 0.00 66.02 66.19 3hoy s SER 91 CO 0.00 -1.30 0.04 -0.36 0.98 0.00 0.00 173.24 172.60 3hoy s PHE 92 N -2.69 1.83 0.00 5.02 0.40 -1.26 -2.51 117.98 118.77 3hoy s PHE 92 Ca 0.61 -1.57 0.00 0.00 -0.60 0.00 0.00 56.93 55.37 3hoy s PHE 92 Cb -0.07 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.90 3hoy s PHE 92 CO 0.39 -0.78 0.00 0.41 0.70 0.00 0.00 175.22 175.94 3hoy n GLY 93 N 4.82 -1.34 3.54 4.36 0.00 0.19 -4.78 105.19 111.98 3hoy n GLY 93 Ca -0.06 -1.58 -0.46 0.00 0.00 0.00 0.00 46.02 43.91 3hoy n GLY 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hoy n LYS 94 N -0.58 0.96 -3.82 1.61 4.81 -1.26 -4.12 118.16 115.75 3hoy n LYS 94 Ca 0.00 0.34 -0.33 0.00 -0.87 0.00 0.00 58.31 57.45 3hoy n LYS 94 Cb 0.00 -1.61 -0.05 0.00 0.02 0.00 0.00 35.03 33.39 3hoy n LYS 94 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3hoy s ILE 95 N -0.98 5.33 -0.13 3.15 2.07 -1.26 -2.51 121.20 126.88 3hoy s ILE 95 Ca 0.61 -0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.77 3hoy s ILE 95 Cb -0.78 -3.59 -0.01 0.00 0.13 0.00 0.00 42.46 38.21 3hoy s ILE 95 CO 0.58 0.23 -0.14 -0.31 -1.91 0.00 0.00 174.94 173.40 3hoy s TYR 96 N -1.43 2.79 -0.60 3.50 4.12 1.41 -4.92 117.35 122.23 3hoy s TYR 96 Ca 0.32 -0.73 -0.06 0.00 0.02 0.00 0.00 57.07 56.62 3hoy s TYR 96 Cb -0.13 -1.85 0.16 0.00 -1.52 0.00 0.00 41.96 38.62 3hoy s TYR 96 CO 0.22 -0.27 0.44 0.08 0.02 0.00 0.00 175.55 176.04 3hoy s VAL 97 N 0.44 4.03 0.66 0.71 1.01 -1.25 -0.63 120.40 125.36 3hoy s VAL 97 Ca -0.10 -2.56 -0.13 0.00 0.00 0.00 0.00 61.98 59.19 3hoy s VAL 97 Cb -0.16 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 3hoy s VAL 97 CO 0.05 -0.86 1.06 0.42 0.00 0.00 0.00 175.10 175.77 3hoy s THR 98 N 0.38 3.88 0.55 3.92 -4.23 -0.83 -4.94 115.64 114.36 3hoy s THR 98 Ca 0.14 0.73 -0.17 0.00 -1.18 0.00 0.00 61.69 61.21 3hoy s THR 98 Cb -0.20 -3.36 -0.06 0.00 1.34 0.00 0.00 72.50 70.22 3hoy s THR 98 CO -0.04 -0.68 1.03 -0.54 -0.54 0.00 0.00 174.62 173.85 3hoy s LYS 99 N -4.61 3.61 0.16 3.99 1.02 -1.26 -3.82 119.74 118.83 3hoy s LYS 99 Ca 0.61 1.15 -0.31 0.00 0.02 0.00 0.00 55.97 57.44 3hoy s LYS 99 Cb -0.15 -2.08 -0.17 0.00 -0.52 0.00 0.00 37.83 34.91 3hoy s LYS 99 CO 0.47 -0.57 0.73 -2.30 -0.92 0.00 0.00 175.35 172.76 3hoy n PRO 100 N -1.69 0.20 -3.57 -1.68 -0.02 -1.26 -4.57 135.00 122.41 3hoy n PRO 100 Ca 0.08 0.07 -0.15 0.00 -2.02 0.00 0.00 63.50 61.48 3hoy n PRO 100 Cb 0.53 -1.25 -0.06 0.00 -0.02 0.00 0.00 33.50 32.70 3hoy n PRO 100 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3hoy s MET 101 N -0.78 0.90 -0.53 -0.52 -1.94 -1.12 -2.86 119.30 112.44 3hoy s MET 101 Ca 0.70 0.50 -0.18 0.00 -1.71 0.00 0.00 55.69 55.00 3hoy s MET 101 Cb -0.98 0.43 0.08 0.00 2.01 0.00 0.00 34.83 36.37 3hoy s MET 101 CO 0.56 -0.22 0.60 0.08 -0.01 0.00 0.00 175.02 176.03 3hoy s VAL 102 N -0.59 4.94 -1.26 -6.03 1.01 0.80 -4.78 120.40 114.50 3hoy s VAL 102 Ca -0.05 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 3hoy s VAL 102 Cb -0.02 -4.33 0.17 0.00 0.00 0.00 0.00 36.38 32.21 3hoy s VAL 102 CO 0.05 -0.86 1.76 -3.20 0.00 0.00 0.00 175.10 172.84 3hoy n ASN 103 N 6.00 5.17 -4.84 3.32 5.15 -1.26 -2.70 115.26 126.11 3hoy n ASN 103 Ca -0.09 -3.09 -0.33 0.00 -0.60 0.00 0.00 54.58 50.47 3hoy n ASN 103 Cb 0.44 -1.49 -0.06 0.00 -0.53 0.00 0.00 39.78 38.14 3hoy n ASN 103 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3hoy s GLU 104 N 0.51 4.08 0.65 1.20 -1.05 -1.26 -5.05 118.70 117.79 3hoy s GLU 104 Ca 0.40 0.76 -0.11 0.00 -0.15 0.00 0.00 54.97 55.87 3hoy s GLU 104 Cb 0.06 -2.51 -0.02 0.00 -0.44 0.00 0.00 34.13 31.22 3hoy s GLU 104 CO 0.01 0.19 1.04 -1.54 0.95 0.00 0.00 175.26 175.92 3hoy s SER 105 N -2.12 5.85 -1.61 0.83 1.04 -1.25 -3.48 113.70 112.96 3hoy s SER 105 Ca 0.52 1.49 -0.01 0.00 0.48 0.00 0.00 55.95 58.44 3hoy s SER 105 Cb -0.12 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.54 3hoy s SER 105 CO 0.18 -1.12 0.09 0.47 0.98 0.00 0.00 173.24 173.84 3hoy n ASP 106 N -2.92 -5.58 -3.58 7.02 8.00 -1.26 -4.80 116.55 113.43 3hoy n ASP 106 Ca 0.07 -0.06 -0.06 0.00 0.71 0.00 0.00 54.79 55.45 3hoy n ASP 106 Cb 0.54 -4.59 -0.03 0.00 -0.02 0.00 0.00 41.12 37.02 3hoy n ASP 106 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hoy s GLY 107 N -2.23 -0.29 0.00 0.44 0.00 -1.23 -5.14 107.32 98.87 3hoy s GLY 107 Ca 0.05 1.64 0.00 0.00 0.00 0.00 0.00 44.72 46.40 3hoy s GLY 107 CO 0.06 0.60 0.00 3.33 0.00 0.00 0.00 173.10 177.08 3hoy n VAL 108 N 0.02 0.00 -3.22 1.40 0.24 -1.26 -4.62 118.33 110.89 3hoy n VAL 108 Ca -0.02 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.27 3hoy n VAL 108 Cb 0.59 -0.25 -0.02 0.00 -1.47 0.00 0.00 33.84 32.69 3hoy n VAL 108 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hoy s THR 109 N 0.00 -0.90 0.49 3.34 2.01 -1.26 -4.14 115.64 115.17 3hoy s THR 109 Ca 0.00 -0.12 -0.22 0.00 0.31 0.00 0.00 61.69 61.66 3hoy s THR 109 Cb 0.00 -0.43 -0.07 0.00 0.01 0.00 0.00 72.50 72.01 3hoy s THR 109 CO 0.00 -0.08 1.15 -2.28 -0.69 0.00 0.00 174.62 172.71 3hoy s HIS 110 N 2.14 2.81 -0.71 4.92 5.04 -1.10 -4.78 115.29 123.62 3hoy s HIS 110 Ca 0.14 1.54 -0.25 0.00 -1.54 0.00 0.00 55.06 54.95 3hoy s HIS 110 Cb -0.07 -3.33 0.04 0.00 0.04 0.00 0.00 32.58 29.26 3hoy s HIS 110 CO -0.14 -1.49 1.16 0.00 -2.34 0.00 0.00 174.74 171.94 3hoy s ALA 111 N -1.64 2.89 0.16 1.58 0.00 -1.26 -0.14 121.76 123.34 3hoy s ALA 111 Ca 0.67 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.80 3hoy s ALA 111 Cb -0.26 -4.11 -0.08 0.00 0.00 0.00 0.00 23.12 18.66 3hoy s ALA 111 CO 0.31 -3.09 1.32 -1.17 0.00 0.00 0.00 175.76 173.14 3hoy s LEU 112 N 5.12 4.40 0.02 0.00 2.96 -1.14 -4.91 118.68 125.14 3hoy s LEU 112 Ca 0.31 2.34 0.04 0.00 -0.22 0.00 0.00 54.13 56.59 3hoy s LEU 112 Cb -0.11 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 3hoy s LEU 112 CO 0.14 -0.56 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.22 3hoy s TYR 113 N 0.52 2.85 0.00 5.38 1.51 -1.26 -4.59 117.35 121.76 3hoy s TYR 113 Ca 0.59 -0.07 0.00 0.00 -1.01 0.00 0.00 57.07 56.59 3hoy s TYR 113 Cb -0.36 -1.57 0.00 0.00 -0.11 0.00 0.00 41.96 39.92 3hoy s TYR 113 CO 0.35 0.37 0.72 -0.35 -1.11 0.00 0.00 175.55 175.53 3hoy n PRO 114 N 1.42 0.00 -0.00 -1.71 -0.04 -1.26 -1.45 135.00 131.96 3hoy n PRO 114 Ca -0.15 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 3hoy n PRO 114 Cb 0.52 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 3hoy n PRO 114 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3hoy n GLN 115 N -1.93 -0.00 -0.04 0.54 -0.06 -1.26 0.16 117.38 114.78 3hoy n GLN 115 Ca 0.00 0.01 -0.15 0.00 -2.00 0.00 0.00 57.00 54.86 3hoy n GLN 115 Cb 0.00 -0.02 -0.08 0.00 -4.06 0.00 0.00 30.24 26.08 3hoy n GLN 115 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3hoy h GLU 116 N 0.00 0.42 -0.85 3.69 4.81 -1.61 -2.84 114.58 118.19 3hoy h GLU 116 Ca 0.00 -0.31 0.09 0.00 -0.13 0.00 0.00 59.36 59.02 3hoy h GLU 116 Cb 0.01 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 3hoy h GLU 116 CO -0.01 0.93 0.50 0.00 -0.73 0.00 0.00 179.01 179.70 3hoy h ALA 117 N 0.49 1.21 0.59 2.92 0.00 0.17 0.50 119.26 125.13 3hoy h ALA 117 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hoy h ALA 117 Cb 0.96 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3hoy h ALA 117 CO 0.07 0.14 -0.43 0.00 0.00 0.00 0.00 179.25 179.03 3hoy h ARG 118 N 0.84 -0.94 0.20 0.00 3.08 -1.44 0.52 114.38 116.64 3hoy h ARG 118 Ca 0.40 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.52 3hoy h ARG 118 Cb 0.34 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3hoy h ARG 118 CO -0.24 -0.63 -0.19 -0.07 -1.07 0.00 0.00 179.97 177.77 3hoy h LEU 119 N -0.98 -0.52 0.00 3.04 4.07 -1.15 -2.86 115.31 116.91 3hoy h LEU 119 Ca -0.08 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3hoy h LEU 119 Cb 0.81 0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.73 3hoy h LEU 119 CO 0.03 -0.29 0.00 0.54 -1.08 0.00 0.00 178.44 177.64 3hoy n ARG 120 N -5.32 0.55 -3.22 1.13 1.74 0.17 -4.90 116.66 106.81 3hoy n ARG 120 Ca -0.08 0.03 -0.16 0.00 -0.77 0.00 0.00 57.85 56.87 3hoy n ARG 120 Cb 0.23 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.24 3hoy n ARG 120 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hoy n ASN 121 N -1.16 -3.76 -4.70 0.55 5.03 0.15 -4.90 115.26 106.47 3hoy n ASN 121 Ca 0.15 -0.44 -0.21 0.00 0.87 0.00 0.00 54.58 54.94 3hoy n ASN 121 Cb 0.15 -4.02 0.03 0.00 -1.02 0.00 0.00 39.78 34.92 3hoy n ASN 121 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3hoy n LEU 122 N -3.69 0.00 -4.08 3.41 4.77 0.84 -3.80 117.00 114.45 3hoy n LEU 122 Ca -0.10 -2.52 -0.32 0.00 -0.03 0.00 0.00 56.01 53.04 3hoy n LEU 122 Cb 0.59 -0.21 -0.15 0.00 -2.33 0.00 0.00 43.42 41.31 3hoy n LEU 122 CO 0.48 -0.63 -0.45 -0.89 -1.33 0.00 0.00 177.39 174.58 3hoy s THR 123 N -2.46 2.28 -0.66 -5.08 2.01 -1.26 -1.35 115.64 109.12 3hoy s THR 123 Ca 0.43 -1.61 -0.28 0.00 0.31 0.00 0.00 61.69 60.54 3hoy s THR 123 Cb -0.03 -2.34 -0.28 0.00 0.01 0.00 0.00 72.50 69.85 3hoy s THR 123 CO 0.27 -0.04 1.89 0.00 -0.69 0.00 0.00 174.62 176.05 3hoy n TYR 124 N 4.46 0.54 -4.62 4.92 9.36 -0.60 -4.81 117.16 126.41 3hoy n TYR 124 Ca -0.14 -0.28 -0.28 0.00 3.32 0.00 0.00 57.90 60.52 3hoy n TYR 124 Cb 0.42 -1.87 -0.09 0.00 -0.63 0.00 0.00 39.34 37.18 3hoy n TYR 124 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3hoy s SER 125 N 7.78 3.45 0.28 2.98 1.04 -1.26 -0.86 113.70 127.11 3hoy s SER 125 Ca 0.75 -1.58 0.01 0.00 0.48 0.00 0.00 55.95 55.61 3hoy s SER 125 Cb 0.03 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 3hoy s SER 125 CO 0.24 -0.78 0.34 -1.54 0.98 0.00 0.00 173.24 172.49 3hoy n SER 126 N -1.15 -0.94 -4.72 7.02 3.41 -1.14 -2.81 113.62 113.28 3hoy n SER 126 Ca -0.11 -2.61 -0.41 0.00 -0.26 0.00 0.00 58.87 55.48 3hoy n SER 126 Cb 0.66 1.84 -0.04 0.00 -0.26 0.00 0.00 64.21 66.42 3hoy n SER 126 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hoy s GLY 127 N -2.80 2.85 -0.39 5.00 0.00 -1.25 -1.80 107.32 108.93 3hoy s GLY 127 Ca 0.26 0.67 -0.08 0.00 0.00 0.00 0.00 44.72 45.57 3hoy s GLY 127 CO 0.19 1.66 0.20 1.08 0.00 0.00 0.00 173.10 176.23 3hoy s LEU 128 N 0.36 4.90 -0.05 0.66 1.02 -0.94 -1.97 118.68 122.66 3hoy s LEU 128 Ca 0.51 -1.44 0.04 0.00 0.02 0.00 0.00 54.13 53.25 3hoy s LEU 128 Cb -0.25 -1.93 -0.02 0.00 0.02 0.00 0.00 46.19 44.00 3hoy s LEU 128 CO 0.30 -0.47 -0.16 -0.36 0.02 0.00 0.00 176.35 175.69 3hoy s PHE 129 N 1.39 2.66 -0.04 0.29 2.99 0.20 0.66 117.98 126.13 3hoy s PHE 129 Ca 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 56.93 56.71 3hoy s PHE 129 Cb -0.22 -1.63 0.03 0.00 0.00 0.00 0.00 43.02 41.21 3hoy s PHE 129 CO 0.02 0.13 0.07 0.08 -0.00 0.00 0.00 175.22 175.51 3hoy s VAL 130 N -0.64 -0.05 -0.79 -0.44 1.01 -0.21 0.42 120.40 119.70 3hoy s VAL 130 Ca 0.09 0.20 -0.25 0.00 0.00 0.00 0.00 61.98 62.02 3hoy s VAL 130 Cb -0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 3hoy s VAL 130 CO 0.01 0.08 1.71 -1.81 0.00 0.00 0.00 175.10 175.09 3hoy s ASP 131 N 1.06 5.60 0.64 3.32 1.01 -1.05 -2.07 116.67 125.18 3hoy s ASP 131 Ca -0.09 -0.40 -0.12 0.00 0.71 0.00 0.00 52.55 52.65 3hoy s ASP 131 Cb -0.12 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 3hoy s ASP 131 CO -0.04 -2.25 1.05 -0.69 0.21 0.00 0.00 175.17 173.45 3hoy s VAL 132 N 8.09 4.19 -0.18 -1.27 1.01 -1.26 0.55 120.40 131.53 3hoy s VAL 132 Ca 0.59 0.80 0.01 0.00 0.00 0.00 0.00 61.98 63.38 3hoy s VAL 132 Cb -0.08 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.80 3hoy s VAL 132 CO 0.08 -0.84 -0.13 -0.54 0.00 0.00 0.00 175.10 173.67 3hoy s LYS 133 N -4.80 2.24 0.29 2.72 1.02 -1.05 -4.87 119.74 115.30 3hoy s LYS 133 Ca 0.58 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.81 3hoy s LYS 133 Cb -0.13 -2.34 0.43 0.00 -0.52 0.00 0.00 37.83 35.27 3hoy s LYS 133 CO 0.49 -0.34 1.84 1.57 -0.92 0.00 0.00 175.35 177.99 3hoy h LYS 134 N 7.99 0.80 0.00 1.68 2.10 -1.97 -3.09 116.57 124.07 3hoy h LYS 134 Ca -0.33 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 3hoy h LYS 134 Cb 1.11 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 3hoy h LYS 134 CO 0.51 0.72 0.00 2.89 -2.00 0.00 0.00 179.45 181.57 3hoy n ARG 135 N -4.28 0.00 0.00 0.07 1.85 -1.26 -4.65 116.66 108.39 3hoy n ARG 135 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 3hoy n ARG 135 Cb 0.22 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.63 3hoy n ARG 135 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3hoy n LYS 164 N -0.08 0.00 -4.20 2.89 4.81 -1.23 -4.77 118.16 115.57 3hoy n LYS 164 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.26 3hoy n LYS 164 Cb 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.93 3hoy n LYS 164 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3hoy s VAL 165 N -0.79 1.01 -0.08 3.15 1.01 -0.88 -4.95 120.40 118.86 3hoy s VAL 165 Ca 0.00 -1.16 -0.19 0.00 0.00 0.00 0.00 61.98 60.62 3hoy s VAL 165 Cb 0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3hoy s VAL 165 CO 0.00 -0.18 0.54 0.12 0.00 0.00 0.00 175.10 175.58 3hoy s PHE 166 N -1.15 3.57 -0.29 5.22 5.36 -1.26 -1.05 117.98 128.39 3hoy s PHE 166 Ca -0.02 1.03 0.09 0.00 -0.96 0.00 0.00 56.93 57.07 3hoy s PHE 166 Cb -0.09 -2.59 0.47 0.00 -0.34 0.00 0.00 43.02 40.46 3hoy s PHE 166 CO 0.02 0.22 1.17 -0.89 -1.46 0.00 0.00 175.22 174.28 3hoy n ILE 167 N 3.38 2.32 0.00 3.12 -0.00 0.21 -4.56 119.36 123.82 3hoy n ILE 167 Ca -0.06 -4.05 0.00 0.00 -0.00 0.00 0.00 62.75 58.63 3hoy n ILE 167 Cb 0.51 -0.77 0.00 0.00 -0.00 0.00 0.00 39.64 39.39 3hoy n ILE 167 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3hoy n GLY 168 N -0.67 0.27 3.47 7.39 0.00 -1.09 -4.64 105.19 109.92 3hoy n GLY 168 Ca 0.38 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 3hoy n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hoy s ARG 169 N -1.20 3.05 -0.40 1.61 0.52 -1.26 -2.21 118.95 119.06 3hoy s ARG 169 Ca 0.00 -0.63 -0.08 0.00 -0.52 0.00 0.00 55.73 54.50 3hoy s ARG 169 Cb 0.00 -2.60 0.07 0.00 0.52 0.00 0.00 34.95 32.94 3hoy s ARG 169 CO 0.00 0.43 0.22 -1.17 0.02 0.00 0.00 175.30 174.80 3hoy s LEU 170 N -0.20 4.95 -0.16 2.53 2.96 -0.74 -4.38 118.68 123.64 3hoy s LEU 170 Ca 0.01 -1.45 -0.37 0.00 -0.22 0.00 0.00 54.13 52.10 3hoy s LEU 170 Cb -0.13 -1.95 -0.14 0.00 0.50 0.00 0.00 46.19 44.47 3hoy s LEU 170 CO 0.03 -0.48 1.75 -0.81 -1.32 0.00 0.00 176.35 175.51 3hoy n PRO 171 N 4.87 1.56 -3.12 0.98 -0.04 -1.26 -2.91 135.00 135.07 3hoy n PRO 171 Ca -0.10 0.57 -0.31 0.00 -0.04 0.00 0.00 63.50 63.63 3hoy n PRO 171 Cb 0.43 -2.31 -0.04 0.00 -0.04 0.00 0.00 33.50 31.54 3hoy n PRO 171 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3hoy s ILE 172 N 3.31 4.85 -0.14 0.52 1.09 -0.04 -4.94 121.20 125.85 3hoy s ILE 172 Ca 0.94 0.52 -0.15 0.00 -1.10 0.00 0.00 60.65 60.86 3hoy s ILE 172 Cb -0.91 -3.69 -0.05 0.00 -1.06 0.00 0.00 42.46 36.76 3hoy s ILE 172 CO 0.58 -0.33 0.34 -0.32 -0.10 0.00 0.00 174.94 175.11 3hoy s MET 173 N -3.44 4.23 0.39 2.79 -2.45 -1.26 -4.52 119.30 115.04 3hoy s MET 173 Ca 0.49 0.20 -0.27 0.00 -1.25 0.00 0.00 55.69 54.86 3hoy s MET 173 Cb -0.11 -3.41 -0.11 0.00 1.25 0.00 0.00 34.83 32.46 3hoy s MET 173 CO 0.27 0.26 1.47 1.28 1.05 0.00 0.00 175.02 179.35 3hoy n LEU 174 N 3.43 4.82 -0.00 4.11 4.32 -0.58 -2.19 117.00 130.90 3hoy n LEU 174 Ca -0.11 1.20 -0.00 0.00 -0.02 0.00 0.00 56.01 57.08 3hoy n LEU 174 Cb 0.52 -1.61 -0.00 0.00 -1.62 0.00 0.00 43.42 40.71 3hoy n LEU 174 CO 0.40 0.07 -0.00 0.54 -1.22 0.00 0.00 177.39 177.18 3hoy n ARG 175 N 0.30 -0.11 -2.75 3.23 3.00 -1.26 -0.93 116.66 118.15 3hoy n ARG 175 Ca 0.02 0.04 -0.23 0.00 -0.01 0.00 0.00 57.85 57.67 3hoy n ARG 175 Cb 0.39 -3.13 0.03 0.00 0.00 0.00 0.00 32.46 29.75 3hoy n ARG 175 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3hoy s SER 176 N -2.02 5.56 0.10 0.55 1.04 -0.93 -4.68 113.70 113.32 3hoy s SER 176 Ca 0.00 0.24 -0.30 0.00 0.48 0.00 0.00 55.95 56.38 3hoy s SER 176 Cb 0.00 -1.30 -0.11 0.00 0.10 0.00 0.00 66.02 64.70 3hoy s SER 176 CO 0.00 -0.95 1.49 0.11 0.98 0.00 0.00 173.24 174.87 3hoy h LYS 177 N 0.16 -0.48 0.00 4.02 1.57 -1.96 0.52 116.57 120.40 3hoy h LYS 177 Ca -0.45 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3hoy h LYS 177 Cb 1.27 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.69 3hoy h LYS 177 CO 0.56 -0.32 0.04 -1.71 -0.57 0.00 0.00 179.45 177.45 3hoy n ASN 178 N -5.09 0.00 -4.75 0.86 5.15 -1.26 -4.55 115.26 105.62 3hoy n ASN 178 Ca -0.05 0.22 -0.36 0.00 -0.60 0.00 0.00 54.58 53.79 3hoy n ASN 178 Cb 0.33 -0.22 -0.07 0.00 -0.53 0.00 0.00 39.78 39.29 3hoy n ASN 178 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hoy h TYR 180 N 6.41 0.05 -0.11 0.00 -1.99 -1.83 0.61 116.97 120.10 3hoy h TYR 180 Ca -0.43 0.05 0.03 0.00 2.00 0.00 0.00 58.73 60.38 3hoy h TYR 180 Cb 1.17 0.09 -0.00 0.00 2.00 0.00 0.00 36.73 39.98 3hoy h TYR 180 CO 0.61 -0.16 0.35 -0.07 -0.00 0.00 0.00 178.16 178.89 3hoy h LEU 181 N 0.15 0.00 -1.36 3.88 3.38 -1.93 -2.55 115.31 116.89 3hoy h LEU 181 Ca 0.37 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.52 3hoy h LEU 181 Cb 0.63 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 3hoy h LEU 181 CO -0.56 0.00 0.59 0.77 0.09 0.00 0.00 178.44 179.33 3hoy h SER 182 N 0.00 0.55 0.00 -0.43 4.64 -1.04 -3.15 113.55 114.13 3hoy h SER 182 Ca 0.05 0.05 -0.37 0.00 -0.47 0.00 0.00 61.79 61.05 3hoy h SER 182 Cb 0.75 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.73 3hoy h SER 182 CO -0.00 0.24 -1.99 -0.62 -0.87 0.00 0.00 176.83 173.58 3hoy n GLU 183 N -4.57 0.58 -0.49 4.77 1.02 -0.96 -5.03 120.64 115.97 3hoy n GLU 183 Ca 0.19 0.40 -0.17 0.00 -0.02 0.00 0.00 57.16 57.56 3hoy n GLU 183 Cb 0.60 -1.60 0.01 0.00 -0.02 0.00 0.00 31.44 30.42 3hoy n GLU 183 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hoy n ALA 184 N -3.87 -3.28 -2.61 0.62 0.00 -1.19 -5.02 120.51 105.16 3hoy n ALA 184 Ca -0.45 -0.21 -0.28 0.00 0.00 0.00 0.00 53.44 52.51 3hoy n ALA 184 Cb 0.80 -0.55 -0.11 0.00 0.00 0.00 0.00 19.45 19.59 3hoy n ALA 184 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hoy s THR 185 N -0.89 1.85 0.00 0.00 -4.23 -1.26 -4.90 115.64 106.20 3hoy s THR 185 Ca 0.21 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 3hoy s THR 185 Cb -0.13 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.78 3hoy s THR 185 CO 0.35 0.00 0.16 1.21 -0.54 0.00 0.00 174.62 175.79 3hoy n GLU 186 N -0.95 0.00 -0.33 3.99 2.13 -1.26 0.11 120.64 124.33 3hoy n GLU 186 Ca -0.05 0.16 0.28 0.00 0.66 0.00 0.00 57.16 58.21 3hoy n GLU 186 Cb 0.67 -0.47 0.54 0.00 0.27 0.00 0.00 31.44 32.45 3hoy n GLU 186 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3hoy h SER 187 N 0.00 0.41 -0.36 4.31 4.64 -1.99 1.34 113.55 121.90 3hoy h SER 187 Ca 0.00 0.23 0.05 0.00 -0.47 0.00 0.00 61.79 61.60 3hoy h SER 187 Cb 0.00 0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.26 3hoy h SER 187 CO 0.00 -0.30 0.10 0.44 -0.87 0.00 0.00 176.83 176.19 3hoy h ASP 188 N 0.15 0.07 0.44 4.97 3.32 0.35 -2.48 116.42 123.24 3hoy h ASP 188 Ca 0.80 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.88 3hoy h ASP 188 Cb 1.99 0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.60 3hoy h ASP 188 CO -0.70 0.07 -0.21 -0.07 -1.72 0.00 0.00 179.24 176.61 3hoy h LEU 189 N 0.23 -0.50 -1.84 1.55 3.38 0.92 -2.77 115.31 116.27 3hoy h LEU 189 Ca 0.17 -0.10 0.46 0.00 0.09 0.00 0.00 57.88 58.50 3hoy h LEU 189 Cb 0.17 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 3hoy h LEU 189 CO -0.20 -0.14 1.09 1.88 0.09 0.00 0.00 178.44 181.16 3hoy h TYR 190 N -0.93 0.14 0.00 1.13 -1.99 -1.01 1.95 116.97 116.26 3hoy h TYR 190 Ca -0.06 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.56 3hoy h TYR 190 Cb 0.57 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.25 3hoy h TYR 190 CO 0.01 -0.04 -0.55 0.87 -0.00 0.00 0.00 178.16 178.46 3hoy h LYS 191 N 0.04 0.00 -0.01 4.88 1.57 -1.24 -2.83 116.57 118.98 3hoy h LYS 191 Ca 0.78 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.56 3hoy h LYS 191 Cb 2.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.25 3hoy h LYS 191 CO -0.11 0.55 -0.08 1.28 -0.57 0.00 0.00 179.45 180.52 3hoy n LEU 192 N -3.32 0.93 -0.95 2.94 4.77 0.65 -4.92 117.00 117.10 3hoy n LEU 192 Ca 0.01 -0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 55.63 3hoy n LEU 192 Cb 0.71 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 3hoy n LEU 192 CO 0.41 0.16 -0.11 0.29 -1.33 0.00 0.00 177.39 176.81 3hoy n LYS 193 N -0.44 -0.76 -3.89 3.23 5.02 -0.29 -4.76 118.16 116.26 3hoy n LYS 193 Ca 0.17 0.72 -0.35 0.00 -2.02 0.00 0.00 58.31 56.83 3hoy n LYS 193 Cb 0.30 -4.71 -0.09 0.00 -0.02 0.00 0.00 35.03 30.50 3hoy n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hoy s GLU 194 N -3.54 4.04 0.03 1.97 0.41 -1.14 -4.95 118.70 115.52 3hoy s GLU 194 Ca 0.00 -0.31 -0.30 0.00 -0.41 0.00 0.00 54.97 53.95 3hoy s GLU 194 Cb 0.00 -3.30 -0.07 0.00 -1.78 0.00 0.00 34.13 28.98 3hoy s GLU 194 CO 0.00 0.26 1.59 0.00 -0.49 0.00 0.00 175.26 176.62 3hoy h PRO 196 N 8.46 0.00 0.00 0.00 0.13 -1.93 -0.72 132.00 137.93 3hoy h PRO 196 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3hoy h PRO 196 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3hoy h PRO 196 CO 0.93 0.00 0.00 0.74 -0.23 0.00 0.00 178.00 179.44 3hoy h PHE 197 N 0.00 0.00 -3.30 1.56 -1.00 -1.99 -3.45 116.94 108.75 3hoy h PHE 197 Ca 0.30 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.52 3hoy h PHE 197 Cb 1.38 0.00 0.11 0.00 3.61 0.00 0.00 35.95 41.05 3hoy h PHE 197 CO 0.00 0.00 0.57 -3.47 -1.61 0.00 0.00 178.31 173.80 3hoy n ASP 198 N -3.07 2.94 -1.03 2.17 2.03 -0.28 -4.90 116.55 114.41 3hoy n ASP 198 Ca 0.02 1.20 0.04 0.00 0.52 0.00 0.00 54.79 56.57 3hoy n ASP 198 Cb 0.41 -1.50 0.24 0.00 -0.72 0.00 0.00 41.12 39.55 3hoy n ASP 198 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3hoy n MET 199 N 0.81 2.63 0.00 -0.67 0.00 -1.26 -5.03 117.12 113.59 3hoy n MET 199 Ca 0.05 -2.95 0.00 0.00 0.00 0.00 0.00 57.70 54.81 3hoy n MET 199 Cb 0.36 -1.86 0.00 0.00 0.00 0.00 0.00 33.22 31.72 3hoy n MET 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hoy n GLY 200 N -0.69 0.74 1.38 3.17 0.00 -1.26 -4.74 105.19 103.78 3hoy n GLY 200 Ca 0.26 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3hoy n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hoy n GLY 201 N 0.00 0.62 3.26 -0.02 0.00 -0.10 -4.98 105.19 103.97 3hoy n GLY 201 Ca 0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 3hoy n GLY 201 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hoy s TYR 202 N -2.00 1.35 0.25 1.61 -0.85 -1.26 -4.79 117.35 111.66 3hoy s TYR 202 Ca 0.00 -1.30 0.08 0.00 -0.52 0.00 0.00 57.07 55.33 3hoy s TYR 202 Cb 0.00 -0.72 -0.04 0.00 0.38 0.00 0.00 41.96 41.58 3hoy s TYR 202 CO 0.00 -0.51 0.08 -0.06 -1.52 0.00 0.00 175.55 173.53 3hoy s PHE 203 N -3.95 2.88 -0.55 -3.49 0.40 0.07 -1.53 117.98 111.81 3hoy s PHE 203 Ca 0.38 -0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.59 3hoy s PHE 203 Cb 0.07 -1.30 0.15 0.00 0.51 0.00 0.00 43.02 42.45 3hoy s PHE 203 CO 0.13 0.57 0.34 0.42 0.70 0.00 0.00 175.22 177.38 3hoy s ILE 204 N -2.18 2.14 -0.16 0.64 1.01 -1.26 0.29 121.20 121.67 3hoy s ILE 204 Ca 0.32 -3.37 -0.13 0.00 0.00 0.00 0.00 60.65 57.47 3hoy s ILE 204 Cb -0.07 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 3hoy s ILE 204 CO 0.22 -0.94 0.25 -0.63 0.00 0.00 0.00 174.94 173.84 3hoy s ILE 205 N -0.47 5.33 -0.48 2.92 1.09 -0.96 -1.56 121.20 127.06 3hoy s ILE 205 Ca 0.21 0.46 -0.06 0.00 -1.10 0.00 0.00 60.65 60.17 3hoy s ILE 205 Cb -0.15 -3.59 0.06 0.00 -1.06 0.00 0.00 42.46 37.72 3hoy s ILE 205 CO -0.08 0.42 0.15 0.59 -0.10 0.00 0.00 174.94 175.93 3hoy n ASN 206 N 3.42 -1.02 0.00 3.58 3.02 -1.16 -2.04 115.26 121.05 3hoy n ASN 206 Ca -0.13 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 3hoy n ASN 206 Cb 0.52 -0.96 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 3hoy n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hoy n GLY 207 N -0.58 3.16 3.90 7.41 0.00 -0.46 -4.53 105.19 114.10 3hoy n GLY 207 Ca 0.03 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 3hoy n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hoy s SER 208 N 0.00 6.47 -0.37 1.61 1.04 -0.87 -4.47 113.70 117.12 3hoy s SER 208 Ca 0.00 0.82 -0.29 0.00 0.48 0.00 0.00 55.95 56.96 3hoy s SER 208 Cb 0.00 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.94 3hoy s SER 208 CO 0.00 -0.23 1.45 -1.61 0.98 0.00 0.00 173.24 173.83 3hoy s GLU 209 N -3.56 3.63 -0.19 4.02 2.02 -1.26 -2.27 118.70 121.10 3hoy s GLU 209 Ca 0.46 1.11 -0.05 0.00 0.02 0.00 0.00 54.97 56.50 3hoy s GLU 209 Cb -0.11 -4.02 -0.03 0.00 0.10 0.00 0.00 34.13 30.08 3hoy s GLU 209 CO 0.30 -1.49 0.01 0.15 0.02 0.00 0.00 175.26 174.24 3hoy s LYS 210 N 4.85 3.70 -0.18 1.61 -0.14 0.14 0.79 119.74 130.50 3hoy s LYS 210 Ca 0.63 -0.49 -0.08 0.00 -1.36 0.00 0.00 55.97 54.67 3hoy s LYS 210 Cb -0.16 -3.08 -0.04 0.00 -1.68 0.00 0.00 37.83 32.87 3hoy s LYS 210 CO 0.31 0.10 0.08 0.08 -0.76 0.00 0.00 175.35 175.16 3hoy s VAL 211 N 0.77 4.99 -0.11 3.17 1.01 0.11 -0.75 120.40 129.59 3hoy s VAL 211 Ca 0.01 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 3hoy s VAL 211 Cb -0.14 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 3hoy s VAL 211 CO 0.02 0.46 0.76 -0.76 0.00 0.00 0.00 175.10 175.58 3hoy s LEU 212 N 0.31 4.26 -0.09 3.92 1.43 -1.26 -1.06 118.68 126.19 3hoy s LEU 212 Ca 0.05 1.19 -0.17 0.00 -1.03 0.00 0.00 54.13 54.16 3hoy s LEU 212 Cb -0.12 -3.15 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 3hoy s LEU 212 CO -0.00 -0.23 0.45 -0.63 0.23 0.00 0.00 176.35 176.16 3hoy s ILE 213 N 1.36 5.14 0.17 -0.59 -1.09 -1.26 -4.78 121.20 120.15 3hoy s ILE 213 Ca 0.38 0.91 -0.33 0.00 -2.23 0.00 0.00 60.65 59.37 3hoy s ILE 213 Cb -0.17 -3.78 -0.14 0.00 -1.58 0.00 0.00 42.46 36.79 3hoy s ILE 213 CO 0.16 0.40 1.60 0.00 -1.23 0.00 0.00 174.94 175.87 3hoy n ALA 214 N 3.16 1.62 -3.25 9.38 0.00 -1.00 -4.80 120.51 125.61 3hoy n ALA 214 Ca -0.09 0.44 -0.37 0.00 0.00 0.00 0.00 53.44 53.41 3hoy n ALA 214 Cb 0.52 -2.38 -0.13 0.00 0.00 0.00 0.00 19.45 17.46 3hoy n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hoy s GLN 215 N 0.91 2.76 0.31 0.00 -1.52 -0.68 0.30 119.66 121.75 3hoy s GLN 215 Ca 0.78 -1.08 -0.27 0.00 -1.95 0.00 0.00 55.36 52.84 3hoy s GLN 215 Cb -0.65 -3.40 -0.10 0.00 -0.22 0.00 0.00 33.01 28.64 3hoy s GLN 215 CO 0.37 -0.59 0.95 -2.00 -0.25 0.00 0.00 175.29 173.78 3hoy s GLU 216 N 1.42 4.61 0.19 2.91 2.12 -0.07 -0.99 118.70 128.89 3hoy s GLU 216 Ca -0.00 1.37 -0.24 0.00 0.36 0.00 0.00 54.97 56.46 3hoy s GLU 216 Cb -0.19 -2.86 0.05 0.00 0.26 0.00 0.00 34.13 31.39 3hoy s GLU 216 CO 0.02 0.29 0.86 -0.98 -0.54 0.00 0.00 175.26 174.92 3hoy s ARG 217 N -1.94 1.39 0.20 4.30 1.04 -0.30 -4.59 118.95 119.05 3hoy s ARG 217 Ca 0.49 -0.75 -0.28 0.00 -1.04 0.00 0.00 55.73 54.15 3hoy s ARG 217 Cb -0.20 0.48 -0.08 0.00 -2.04 0.00 0.00 34.95 33.11 3hoy s ARG 217 CO 0.25 -0.64 0.86 -1.12 -0.04 0.00 0.00 175.30 174.62 3hoy s SER 218 N -2.91 7.52 0.83 -2.89 0.01 -1.26 0.53 113.70 115.52 3hoy s SER 218 Ca 0.11 1.79 -0.11 0.00 1.31 0.00 0.00 55.95 59.06 3hoy s SER 218 Cb -0.03 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.74 3hoy s SER 218 CO 0.03 0.17 1.10 0.00 0.41 0.00 0.00 173.24 174.96 3hoy s ALA 219 N -1.11 1.94 0.00 1.44 0.00 0.77 -4.75 121.76 120.05 3hoy s ALA 219 Ca 0.39 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3hoy s ALA 219 Cb -0.24 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3hoy s ALA 219 CO 0.29 -2.10 0.00 0.41 0.00 0.00 0.00 175.76 174.37 3hoy n GLY 220 N -0.85 3.00 1.92 0.00 0.00 -1.26 -4.63 105.19 103.37 3hoy n GLY 220 Ca 0.09 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 3hoy n GLY 220 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hoy n ASN 221 N -2.05 -3.08 -4.40 1.61 3.02 1.61 -4.88 115.26 107.08 3hoy n ASN 221 Ca -0.00 0.28 -0.32 0.00 -0.03 0.00 0.00 54.58 54.51 3hoy n ASN 221 Cb 0.01 -2.92 -0.14 0.00 -0.61 0.00 0.00 39.78 36.11 3hoy n ASN 221 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hoy s ILE 222 N -2.02 2.58 -0.08 2.41 1.01 -1.26 -4.42 121.20 119.43 3hoy s ILE 222 Ca 0.00 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.53 3hoy s ILE 222 Cb 0.00 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 3hoy s ILE 222 CO 0.00 0.59 0.61 0.68 0.00 0.00 0.00 174.94 176.81 3hoy s VAL 223 N -0.67 5.09 0.01 2.92 -7.23 -1.26 -3.90 120.40 115.36 3hoy s VAL 223 Ca 0.11 1.24 -0.07 0.00 -1.81 0.00 0.00 61.98 61.45 3hoy s VAL 223 Cb -0.10 -3.95 0.00 0.00 0.56 0.00 0.00 36.38 32.89 3hoy s VAL 223 CO -0.00 0.29 0.14 -1.10 -0.31 0.00 0.00 175.10 174.12 3hoy s GLN 224 N 0.66 0.53 -0.04 4.82 -0.21 -0.72 -4.99 119.66 119.72 3hoy s GLN 224 Ca 0.33 -0.48 0.02 0.00 0.02 0.00 0.00 55.36 55.25 3hoy s GLN 224 Cb -0.17 0.22 0.01 0.00 1.00 0.00 0.00 33.01 34.07 3hoy s GLN 224 CO 0.15 -0.13 -0.09 0.14 -2.12 0.00 0.00 175.29 173.24 3hoy s VAL 225 N -1.71 0.80 0.16 1.09 -7.23 -1.26 0.13 120.40 112.39 3hoy s VAL 225 Ca -0.12 -0.33 0.06 0.00 -1.81 0.00 0.00 61.98 59.77 3hoy s VAL 225 Cb -0.06 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 3hoy s VAL 225 CO 0.00 0.26 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.57 3hoy s PHE 226 N 0.45 1.45 0.42 2.82 2.99 -0.67 -0.17 117.98 125.26 3hoy s PHE 226 Ca -0.07 -0.65 -0.03 0.00 0.00 0.00 0.00 56.93 56.17 3hoy s PHE 226 Cb -0.11 -0.71 -0.04 0.00 0.00 0.00 0.00 43.02 42.16 3hoy s PHE 226 CO 0.01 0.19 0.67 0.15 -0.00 0.00 0.00 175.22 176.25 3hoy s LYS 227 N -3.51 3.52 -0.15 0.44 1.02 -1.26 -1.96 119.74 117.84 3hoy s LYS 227 Ca 0.17 -0.05 0.02 0.00 0.02 0.00 0.00 55.97 56.13 3hoy s LYS 227 Cb 0.00 -2.51 0.01 0.00 -0.52 0.00 0.00 37.83 34.81 3hoy s LYS 227 CO 0.03 -0.03 -0.19 0.15 -0.92 0.00 0.00 175.35 174.38 3hoy s LYS 228 N -4.51 2.80 0.00 1.68 1.02 -0.02 -4.92 119.74 115.78 3hoy s LYS 228 Ca 0.44 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.66 3hoy s LYS 228 Cb -0.10 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 3hoy s LYS 228 CO 0.40 -0.10 0.00 0.00 -0.92 0.00 0.00 175.35 174.73 3hoy n ALA 229 N 4.32 -1.40 -0.32 5.17 0.00 -1.26 -4.68 120.51 122.34 3hoy n ALA 229 Ca -0.20 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.45 3hoy n ALA 229 Cb 0.51 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.38 3hoy n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hoy h ALA 230 N 0.00 1.74 -0.50 0.00 0.00 -1.98 -2.40 119.26 116.12 3hoy h ALA 230 Ca 0.00 0.22 -0.44 0.00 0.00 0.00 0.00 54.91 54.69 3hoy h ALA 230 Cb 0.00 0.25 -0.16 0.00 0.00 0.00 0.00 17.79 17.88 3hoy h ALA 230 CO 0.00 -0.59 0.37 -0.35 0.00 0.00 0.00 179.25 178.68 3hoy n PRO 231 N -5.15 2.21 -4.39 0.00 -0.04 -1.26 -4.91 135.00 121.45 3hoy n PRO 231 Ca 0.29 -2.07 -0.24 0.00 -0.04 0.00 0.00 63.50 61.44 3hoy n PRO 231 Cb 0.92 -1.98 -0.13 0.00 -0.04 0.00 0.00 33.50 32.27 3hoy n PRO 231 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hoy s SER 232 N 0.35 2.52 0.27 3.54 0.15 -0.90 -5.02 113.70 114.61 3hoy s SER 232 Ca 0.51 -0.64 0.09 0.00 0.70 0.00 0.00 55.95 56.61 3hoy s SER 232 Cb 0.34 -0.16 0.35 0.00 -1.71 0.00 0.00 66.02 64.85 3hoy s SER 232 CO -0.15 0.09 1.62 1.55 1.20 0.00 0.00 173.24 177.55 3hoy h PRO 233 N 4.31 0.08 -6.04 5.44 0.13 -1.91 -3.44 132.00 130.58 3hoy h PRO 233 Ca -0.45 -0.06 -0.58 0.00 -0.87 0.00 0.00 66.00 64.05 3hoy h PRO 233 Cb 1.17 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 3hoy h PRO 233 CO 0.41 0.65 -0.07 0.42 -0.23 0.00 0.00 178.00 179.17 3hoy s ILE 234 N -3.72 4.94 -0.12 -3.56 1.09 -1.26 -2.23 121.20 116.33 3hoy s ILE 234 Ca -0.02 1.12 -0.06 0.00 -1.10 0.00 0.00 60.65 60.59 3hoy s ILE 234 Cb 0.13 -3.87 -0.03 0.00 -1.06 0.00 0.00 42.46 37.63 3hoy s ILE 234 CO 0.77 0.46 -0.06 -1.28 -0.10 0.00 0.00 174.94 174.73 3hoy h SER 235 N 5.43 0.00 -4.21 3.58 0.87 -1.70 -3.40 113.55 114.12 3hoy h SER 235 Ca -0.46 -0.04 -0.33 0.00 -1.23 0.00 0.00 61.79 59.72 3hoy h SER 235 Cb 1.20 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.02 3hoy h SER 235 CO 0.68 0.66 -0.66 -1.00 -0.53 0.00 0.00 176.83 175.98 3hoy s HIS 236 N -1.91 1.39 -0.07 2.24 3.76 -1.26 -0.84 115.29 118.59 3hoy s HIS 236 Ca -0.08 -0.98 -0.14 0.00 -0.15 0.00 0.00 55.06 53.71 3hoy s HIS 236 Cb 0.01 -0.80 0.03 0.00 1.11 0.00 0.00 32.58 32.93 3hoy s HIS 236 CO 0.14 -0.14 0.34 0.08 -0.85 0.00 0.00 174.74 174.31 3hoy s VAL 237 N -3.55 0.03 -0.11 -0.90 1.01 -0.83 -3.05 120.40 113.00 3hoy s VAL 237 Ca 0.27 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3hoy s VAL 237 Cb 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.87 3hoy s VAL 237 CO 0.07 -0.13 -0.23 0.00 0.00 0.00 0.00 175.10 174.81 3hoy s ALA 238 N -0.59 2.20 0.09 5.51 0.00 -0.77 -1.68 121.76 126.52 3hoy s ALA 238 Ca -0.07 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 50.93 3hoy s ALA 238 Cb -0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 3hoy s ALA 238 CO 0.03 0.21 -0.10 -1.21 0.00 0.00 0.00 175.76 174.68 3hoy s GLU 239 N 0.45 0.81 -0.06 0.00 2.02 0.12 -1.04 118.70 121.00 3hoy s GLU 239 Ca -0.16 -1.08 -0.02 0.00 0.02 0.00 0.00 54.97 53.73 3hoy s GLU 239 Cb -0.17 -0.55 0.04 0.00 0.10 0.00 0.00 34.13 33.54 3hoy s GLU 239 CO 0.06 0.09 0.11 -1.50 0.02 0.00 0.00 175.26 174.05 3hoy s ILE 240 N -2.14 -0.10 -0.64 -1.63 2.07 -1.00 -1.76 121.20 116.00 3hoy s ILE 240 Ca 0.02 0.26 -0.24 0.00 -1.41 0.00 0.00 60.65 59.28 3hoy s ILE 240 Cb -0.05 -0.20 0.05 0.00 0.13 0.00 0.00 42.46 42.40 3hoy s ILE 240 CO 0.00 0.11 1.01 -0.13 -1.91 0.00 0.00 174.94 174.02 3hoy s ARG 241 N 1.50 3.19 -0.22 3.50 0.52 -1.25 -2.25 118.95 123.94 3hoy s ARG 241 Ca -0.05 -0.56 -0.19 0.00 -0.52 0.00 0.00 55.73 54.41 3hoy s ARG 241 Cb -0.12 -4.17 -0.03 0.00 0.52 0.00 0.00 34.95 31.15 3hoy s ARG 241 CO -0.05 -1.78 0.55 -1.54 0.02 0.00 0.00 175.30 172.51 3hoy s SER 242 N 3.45 6.56 -0.06 0.23 1.04 -0.80 0.46 113.70 124.57 3hoy s SER 242 Ca 0.27 0.68 -0.02 0.00 0.48 0.00 0.00 55.95 57.35 3hoy s SER 242 Cb -0.14 -2.31 0.04 0.00 0.10 0.00 0.00 66.02 63.71 3hoy s SER 242 CO 0.14 -0.25 0.12 0.00 0.98 0.00 0.00 173.24 174.23 3hoy s ALA 243 N 1.95 -0.16 -0.31 5.32 0.00 -1.25 -2.84 121.76 124.47 3hoy s ALA 243 Ca 0.25 0.57 -0.28 0.00 0.00 0.00 0.00 51.96 52.50 3hoy s ALA 243 Cb -0.16 -0.50 -0.06 0.00 0.00 0.00 0.00 23.12 22.41 3hoy s ALA 243 CO 0.09 -0.25 2.28 1.28 0.00 0.00 0.00 175.76 179.17 3hoy n LEU 244 N 4.48 2.92 -0.12 0.00 4.77 -1.24 -4.79 117.00 123.03 3hoy n LEU 244 Ca -0.21 0.01 0.10 0.00 -0.03 0.00 0.00 56.01 55.87 3hoy n LEU 244 Cb 0.51 -1.55 0.18 0.00 -2.33 0.00 0.00 43.42 40.23 3hoy n LEU 244 CO 0.15 -0.95 0.35 1.21 -1.33 0.00 0.00 177.39 176.83 3hoy n GLU 245 N 8.81 -0.02 -3.64 3.23 2.13 -1.26 -4.07 120.64 125.82 3hoy n GLU 245 Ca 0.33 0.50 -0.06 0.00 0.66 0.00 0.00 57.16 58.59 3hoy n GLU 245 Cb 0.46 -0.87 -0.07 0.00 0.27 0.00 0.00 31.44 31.24 3hoy n GLU 245 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3hoy s LYS 246 N -4.70 0.66 0.00 5.31 1.02 -1.26 -5.05 119.74 115.71 3hoy s LYS 246 Ca -0.04 1.17 0.00 0.00 0.02 0.00 0.00 55.97 57.12 3hoy s LYS 246 Cb 0.12 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.61 3hoy s LYS 246 CO 0.28 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 3hoy n GLY 247 N 4.32 1.49 4.62 -3.33 0.00 -1.26 -4.80 105.19 106.22 3hoy n GLY 247 Ca -0.19 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3hoy n GLY 247 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hoy n SER 248 N 0.00 0.00 -0.63 1.61 2.88 -1.26 -4.53 113.62 111.69 3hoy n SER 248 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3hoy n SER 248 Cb 0.00 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 61.90 3hoy n SER 248 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hoy n ARG 249 N -2.00 0.00 -1.97 -1.46 1.74 -1.26 -4.88 116.66 106.83 3hoy n ARG 249 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 3hoy n ARG 249 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.47 3hoy n ARG 249 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3hoy s PHE 250 N 0.00 2.69 -0.27 -1.55 5.99 -1.26 -4.82 117.98 118.75 3hoy s PHE 250 Ca 0.00 1.54 0.21 0.00 0.00 0.00 0.00 56.93 58.69 3hoy s PHE 250 Cb 0.00 -3.19 0.50 0.00 0.00 0.00 0.00 43.02 40.33 3hoy s PHE 250 CO 0.00 -1.56 1.08 -0.89 -0.00 0.00 0.00 175.22 173.85 3hoy n ILE 251 N -1.98 1.27 -2.73 3.12 5.41 -1.25 -3.58 119.36 119.61 3hoy n ILE 251 Ca 0.11 -3.01 -0.36 0.00 1.00 0.00 0.00 62.75 60.49 3hoy n ILE 251 Cb 0.52 1.08 -0.06 0.00 -0.71 0.00 0.00 39.64 40.47 3hoy n ILE 251 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3hoy s SER 252 N -3.67 7.12 -0.07 4.38 1.04 -1.13 -4.84 113.70 116.52 3hoy s SER 252 Ca 0.28 1.85 0.04 0.00 0.48 0.00 0.00 55.95 58.61 3hoy s SER 252 Cb 0.35 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.89 3hoy s SER 252 CO -0.02 -0.23 -0.21 0.28 0.98 0.00 0.00 173.24 174.04 3hoy s THR 253 N -1.75 2.42 -0.18 2.02 -1.32 -1.26 -1.90 115.64 113.67 3hoy s THR 253 Ca 0.55 -0.93 -0.14 0.00 -1.21 0.00 0.00 61.69 59.96 3hoy s THR 253 Cb -0.17 -1.92 -0.04 0.00 -1.51 0.00 0.00 72.50 68.85 3hoy s THR 253 CO 0.22 0.57 0.30 -0.22 -2.21 0.00 0.00 174.62 173.28 3hoy s LEU 254 N -0.15 4.20 -0.18 9.08 2.96 -0.96 -4.72 118.68 128.92 3hoy s LEU 254 Ca -0.03 0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 54.32 3hoy s LEU 254 Cb -0.14 -2.37 -0.00 0.00 0.50 0.00 0.00 46.19 44.18 3hoy s LEU 254 CO 0.04 0.05 -0.11 -1.10 -1.32 0.00 0.00 176.35 173.91 3hoy s GLN 255 N 0.75 3.29 -0.46 1.98 -0.21 -1.17 -2.37 119.66 121.47 3hoy s GLN 255 Ca 0.16 -0.69 0.04 0.00 0.02 0.00 0.00 55.36 54.88 3hoy s GLN 255 Cb -0.13 -2.77 0.12 0.00 1.00 0.00 0.00 33.01 31.23 3hoy s GLN 255 CO 0.05 -0.04 0.19 0.08 -2.12 0.00 0.00 175.29 173.45 3hoy s VAL 256 N 1.00 2.49 0.00 1.09 1.01 -0.21 0.97 120.40 126.77 3hoy s VAL 256 Ca -0.01 -3.02 0.00 0.00 0.00 0.00 0.00 61.98 58.95 3hoy s VAL 256 Cb -0.15 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.47 3hoy s VAL 256 CO -0.02 -0.74 0.00 0.29 0.00 0.00 0.00 175.10 174.64 3hoy n LYS 257 N 3.46 1.78 -2.66 2.72 5.02 0.43 -1.85 118.16 127.07 3hoy n LYS 257 Ca 0.05 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.30 3hoy n LYS 257 Cb 0.35 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.46 3hoy n LYS 257 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3hoy n LEU 258 N 0.00 -1.24 -4.08 -0.35 7.94 -1.17 -4.34 117.00 113.77 3hoy n LEU 258 Ca 0.00 -1.83 -0.37 0.00 -1.11 0.00 0.00 56.01 52.70 3hoy n LEU 258 Cb 0.00 0.86 0.07 0.00 0.53 0.00 0.00 43.42 44.88 3hoy n LEU 258 CO 0.00 1.59 -1.70 -1.22 -1.11 0.00 0.00 177.39 174.95 3hoy n TYR 259 N 0.79 -1.40 -0.91 1.96 4.02 -0.83 -3.13 117.16 117.66 3hoy n TYR 259 Ca -0.04 0.52 0.00 0.00 -0.01 0.00 0.00 57.90 58.37 3hoy n TYR 259 Cb 0.74 -1.43 0.00 0.00 -0.02 0.00 0.00 39.34 38.63 3hoy n TYR 259 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hoy n GLY 260 N 3.10 -4.16 3.98 2.72 0.00 -0.95 -3.58 105.19 106.30 3hoy n GLY 260 Ca -0.01 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 3hoy n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hoy s ARG 261 N -2.71 2.72 -0.32 1.61 0.52 -1.26 -4.17 118.95 115.35 3hoy s ARG 261 Ca 0.00 -0.87 -0.42 0.00 -0.52 0.00 0.00 55.73 53.92 3hoy s ARG 261 Cb 0.00 -2.59 -0.17 0.00 0.52 0.00 0.00 34.95 32.71 3hoy s ARG 261 CO 0.00 -0.49 1.66 -1.91 0.02 0.00 0.00 175.30 174.58 3hoy n GLU 262 N -2.14 0.77 0.00 3.54 2.13 -1.26 -2.57 120.64 121.12 3hoy n GLU 262 Ca 0.06 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.17 3hoy n GLU 262 Cb 0.59 -1.90 0.00 0.00 0.27 0.00 0.00 31.44 30.40 3hoy n GLU 262 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hoy n GLY 263 N 3.96 2.16 1.28 8.31 0.00 -1.26 -5.03 105.19 114.63 3hoy n GLY 263 Ca 0.27 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 3hoy n GLY 263 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hoy n SER 264 N 2.59 0.19 -4.44 1.61 3.41 -1.06 -4.75 113.62 111.16 3hoy n SER 264 Ca 0.00 0.16 -0.44 0.00 -0.26 0.00 0.00 58.87 58.33 3hoy n SER 264 Cb 0.00 -0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 63.59 3hoy n SER 264 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hoy n SER 265 N 3.45 -0.82 -1.96 4.04 3.41 -1.26 -4.07 113.62 116.41 3hoy n SER 265 Ca 0.23 1.01 -0.02 0.00 -0.26 0.00 0.00 58.87 59.83 3hoy n SER 265 Cb -0.00 -1.07 0.01 0.00 -0.26 0.00 0.00 64.21 62.89 3hoy n SER 265 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hoy n ALA 266 N -0.42 -1.40 -2.75 7.33 0.00 -1.26 -4.99 120.51 117.02 3hoy n ALA 266 Ca 0.13 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 3hoy n ALA 266 Cb 0.34 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 3hoy n ALA 266 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hoy s ARG 267 N -3.20 3.16 0.64 0.00 0.52 -1.26 -4.64 118.95 114.17 3hoy s ARG 267 Ca 0.07 -0.67 -0.03 0.00 -0.52 0.00 0.00 55.73 54.59 3hoy s ARG 267 Cb -0.01 -4.25 0.06 0.00 0.52 0.00 0.00 34.95 31.27 3hoy s ARG 267 CO 0.21 -1.93 0.91 -0.08 0.02 0.00 0.00 175.30 174.42 3hoy s THR 268 N 4.60 2.44 -0.23 0.02 -1.32 -1.24 -4.65 115.64 115.27 3hoy s THR 268 Ca 0.27 -0.47 -0.02 0.00 -1.21 0.00 0.00 61.69 60.26 3hoy s THR 268 Cb -0.13 -2.97 0.07 0.00 -1.51 0.00 0.00 72.50 67.96 3hoy s THR 268 CO 0.11 0.00 0.03 -0.63 -2.21 0.00 0.00 174.62 171.92 3hoy s ILE 269 N -3.03 0.83 0.35 5.08 1.01 -1.26 -1.97 121.20 122.21 3hoy s ILE 269 Ca 0.59 -0.87 0.09 0.00 0.00 0.00 0.00 60.65 60.46 3hoy s ILE 269 Cb -0.10 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.99 3hoy s ILE 269 CO 0.42 -0.27 0.05 -0.54 0.00 0.00 0.00 174.94 174.60 3hoy s LYS 270 N 1.70 2.14 0.18 2.79 1.02 -1.26 -2.10 119.74 124.21 3hoy s LYS 270 Ca -0.00 -1.74 0.06 0.00 0.02 0.00 0.00 55.97 54.31 3hoy s LYS 270 Cb -0.18 -1.96 -0.05 0.00 -0.52 0.00 0.00 37.83 35.12 3hoy s LYS 270 CO -0.11 0.10 -0.11 0.00 -0.92 0.00 0.00 175.35 174.31 3hoy s ALA 271 N -2.52 1.74 -0.22 5.17 0.00 0.61 -0.42 121.76 126.12 3hoy s ALA 271 Ca 0.36 -1.59 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 3hoy s ALA 271 Cb 0.00 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3hoy s ALA 271 CO 0.20 -0.03 -0.08 0.99 0.00 0.00 0.00 175.76 176.84 3hoy s THR 272 N -3.16 2.96 0.01 0.00 2.01 0.27 -1.01 115.64 116.72 3hoy s THR 272 Ca 0.20 -0.72 0.08 0.00 0.31 0.00 0.00 61.69 61.56 3hoy s THR 272 Cb 0.01 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 3hoy s THR 272 CO 0.04 0.40 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.37 3hoy s LEU 273 N 1.40 2.27 -0.15 4.42 1.43 -1.26 -3.05 118.68 123.75 3hoy s LEU 273 Ca 0.04 -0.48 -0.35 0.00 -1.03 0.00 0.00 54.13 52.32 3hoy s LEU 273 Cb -0.14 -1.38 -0.12 0.00 0.03 0.00 0.00 46.19 44.58 3hoy s LEU 273 CO -0.06 0.29 1.91 -0.81 0.23 0.00 0.00 176.35 177.91 3hoy n PRO 274 N 2.01 1.94 -0.31 1.29 -0.04 -1.26 -0.57 135.00 138.05 3hoy n PRO 274 Ca -0.16 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 3hoy n PRO 274 Cb 0.52 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 3hoy n PRO 274 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hoy n TYR 275 N 7.03 0.00 -3.03 0.54 4.02 -1.26 -4.89 117.16 119.57 3hoy n TYR 275 Ca 0.25 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.70 3hoy n TYR 275 Cb 0.27 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.55 3hoy n TYR 275 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3hoy s ILE 276 N -2.68 4.66 -1.85 -0.72 1.01 0.26 -4.88 121.20 116.99 3hoy s ILE 276 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3hoy s ILE 276 Cb 0.00 -4.54 0.00 0.00 0.01 0.00 0.00 42.46 37.93 3hoy s ILE 276 CO 0.00 -1.21 0.26 0.29 0.00 0.00 0.00 174.94 174.27 3hoy n LYS 277 N 6.78 0.00 0.00 2.79 5.02 0.15 -4.69 118.16 128.22 3hoy n LYS 277 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3hoy n LYS 277 Cb 0.44 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 3hoy n LYS 277 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3hoy n GLN 278 N -0.74 0.00 -3.73 1.97 7.27 -1.26 -5.14 117.38 115.75 3hoy n GLN 278 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.83 3hoy n GLN 278 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 3hoy n GLN 278 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3hoy s ASP 279 N 1.71 4.79 -0.16 1.69 1.01 -1.26 -4.59 116.67 119.87 3hoy s ASP 279 Ca 0.00 -1.02 -0.04 0.00 0.71 0.00 0.00 52.55 52.19 3hoy s ASP 279 Cb 0.00 -0.03 0.08 0.00 1.01 0.00 0.00 42.92 43.98 3hoy s ASP 279 CO 0.00 -0.91 0.24 -0.63 0.21 0.00 0.00 175.17 174.08 3hoy s ILE 280 N -2.64 -0.37 0.07 0.77 1.01 -0.18 -4.90 121.20 114.96 3hoy s ILE 280 Ca 0.42 0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 3hoy s ILE 280 Cb -0.02 -0.52 -0.10 0.00 0.01 0.00 0.00 42.46 41.83 3hoy s ILE 280 CO 0.25 -0.01 1.93 -0.81 0.00 0.00 0.00 174.94 176.30 3hoy n PRO 281 N 5.34 2.87 -0.26 2.79 -0.04 -1.26 -0.29 135.00 144.15 3hoy n PRO 281 Ca -0.05 1.05 0.17 0.00 -0.04 0.00 0.00 63.50 64.63 3hoy n PRO 281 Cb 0.50 -2.98 0.33 0.00 -0.04 0.00 0.00 33.50 31.30 3hoy n PRO 281 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3hoy n ILE 282 N 5.24 -0.32 -0.24 0.52 -5.35 -0.89 -0.72 119.36 117.61 3hoy n ILE 282 Ca 0.19 1.62 -0.12 0.00 -0.27 0.00 0.00 62.75 64.18 3hoy n ILE 282 Cb 0.40 -2.49 -0.08 0.00 -1.74 0.00 0.00 39.64 35.73 3hoy n ILE 282 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3hoy h VAL 283 N 0.00 0.02 -0.86 7.28 2.07 -1.85 0.15 116.25 123.06 3hoy h VAL 283 Ca 0.55 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.25 3hoy h VAL 283 Cb 1.31 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 3hoy h VAL 283 CO -0.66 0.00 0.57 0.40 0.02 0.00 0.00 177.57 177.90 3hoy h ILE 284 N -0.25 0.73 0.72 4.57 2.04 -1.24 -1.99 117.51 122.09 3hoy h ILE 284 Ca 0.13 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 3hoy h ILE 284 Cb 0.54 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3hoy h ILE 284 CO -0.72 0.08 -0.35 0.40 0.00 0.00 0.00 178.15 177.57 3hoy h ILE 285 N 0.45 0.00 -0.91 -0.67 2.04 -0.77 0.23 117.51 117.89 3hoy h ILE 285 Ca 0.44 -0.15 0.25 0.00 1.00 0.00 0.00 64.86 66.41 3hoy h ILE 285 Cb 1.01 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.94 3hoy h ILE 285 CO -0.17 0.00 0.16 -0.26 0.00 0.00 0.00 178.15 177.89 3hoy h PHE 286 N -1.11 0.21 -0.41 1.37 -1.00 -0.90 0.74 116.94 115.84 3hoy h PHE 286 Ca -0.10 0.06 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 3hoy h PHE 286 Cb 0.74 0.06 -0.02 0.00 3.61 0.00 0.00 35.95 40.34 3hoy h PHE 286 CO 0.03 -0.31 0.18 -0.09 -1.61 0.00 0.00 178.31 176.51 3hoy h ARG 287 N 0.12 0.60 0.00 1.51 2.43 -0.96 0.34 114.38 118.42 3hoy h ARG 287 Ca 0.57 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 3hoy h ARG 287 Cb 1.19 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3hoy h ARG 287 CO -0.75 0.54 0.00 0.00 -1.51 0.00 0.00 179.97 178.25 3hoy n ALA 288 N -2.29 2.10 0.33 2.80 0.00 0.24 -0.86 120.51 122.82 3hoy n ALA 288 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.40 3hoy n ALA 288 Cb 0.13 -1.25 0.07 0.00 0.00 0.00 0.00 19.45 18.39 3hoy n ALA 288 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hoy n LEU 289 N -0.98 2.11 0.00 0.00 4.77 0.01 -4.73 117.00 118.19 3hoy n LEU 289 Ca 0.12 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 3hoy n LEU 289 Cb 0.05 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3hoy n LEU 289 CO 0.09 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3hoy n GLY 290 N 0.59 2.70 3.56 -0.72 0.00 -0.03 -4.84 105.19 106.44 3hoy n GLY 290 Ca 0.07 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 3hoy n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hoy s ILE 291 N -0.99 3.31 -0.17 -0.61 1.01 -0.61 -4.78 121.20 118.35 3hoy s ILE 291 Ca 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 60.65 60.72 3hoy s ILE 291 Cb 0.00 -3.74 -0.24 0.00 0.01 0.00 0.00 42.46 38.49 3hoy s ILE 291 CO 0.00 -0.71 0.16 -0.38 0.00 0.00 0.00 174.94 174.02 3hoy n ILE 292 N 7.77 1.46 -3.04 2.92 5.41 -1.26 -2.31 119.36 130.31 3hoy n ILE 292 Ca 0.33 -0.80 -0.36 0.00 1.00 0.00 0.00 62.75 62.93 3hoy n ILE 292 Cb 0.49 -0.75 -0.06 0.00 -0.71 0.00 0.00 39.64 38.61 3hoy n ILE 292 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3hoy s PRO 293 N -2.52 4.28 0.67 0.38 0.04 -1.26 -4.92 135.00 131.67 3hoy s PRO 293 Ca -0.13 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 61.74 3hoy s PRO 293 Cb 0.07 -2.80 0.17 0.00 0.04 0.00 0.00 34.50 31.98 3hoy s PRO 293 CO 0.80 0.34 0.38 -0.25 0.04 0.00 0.00 177.00 178.30 3hoy n ASP 294 N 0.55 -2.86 0.00 6.66 10.43 -1.26 -2.35 116.55 127.72 3hoy n ASP 294 Ca -0.01 -0.38 0.00 0.00 2.57 0.00 0.00 54.79 56.97 3hoy n ASP 294 Cb 0.51 -0.46 0.00 0.00 1.84 0.00 0.00 41.12 43.01 3hoy n ASP 294 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hoy n GLY 295 N -2.38 0.00 0.09 0.44 0.00 -1.26 -3.71 105.19 98.37 3hoy n GLY 295 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 3hoy n GLY 295 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hoy n GLU 296 N -0.12 0.55 -0.09 1.61 2.13 -0.99 -1.63 120.64 122.09 3hoy n GLU 296 Ca 0.00 0.07 -0.17 0.00 0.66 0.00 0.00 57.16 57.71 3hoy n GLU 296 Cb 0.00 -1.75 -0.10 0.00 0.27 0.00 0.00 31.44 29.86 3hoy n GLU 296 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3hoy h ILE 297 N 0.00 0.90 0.00 6.31 2.04 -1.57 -3.21 117.51 121.97 3hoy h ILE 297 Ca 0.00 -2.00 0.00 0.00 1.00 0.00 0.00 64.86 63.86 3hoy h ILE 297 Cb 0.95 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 3hoy h ILE 297 CO 0.00 0.30 0.06 0.18 0.00 0.00 0.00 178.15 178.69 3hoy n LEU 298 N -4.50 0.39 0.45 1.44 7.99 -1.25 -1.15 117.00 120.37 3hoy n LEU 298 Ca -0.24 0.66 -0.18 0.00 -0.01 0.00 0.00 56.01 56.24 3hoy n LEU 298 Cb 0.57 -0.69 -0.09 0.00 -0.11 0.00 0.00 43.42 43.09 3hoy n LEU 298 CO 0.19 -0.79 0.50 -0.33 -1.51 0.00 0.00 177.39 175.45 3hoy h GLU 299 N 0.00 -1.10 0.00 3.23 4.39 -1.31 -0.39 114.58 119.40 3hoy h GLU 299 Ca 0.00 0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3hoy h GLU 299 Cb 0.11 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3hoy h GLU 299 CO 0.00 -0.73 0.00 0.45 -1.16 0.00 0.00 179.01 177.57 3hoy h HIS 300 N -1.25 0.00 0.00 4.33 3.86 -1.19 -3.28 115.15 117.61 3hoy h HIS 300 Ca -0.12 0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 58.69 3hoy h HIS 300 Cb 0.88 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.29 3hoy h HIS 300 CO -0.00 0.00 -2.24 -0.89 0.86 0.00 0.00 177.93 175.66 3hoy n ILE 301 N -2.83 1.54 -3.83 2.45 5.41 -1.11 -4.06 119.36 116.93 3hoy n ILE 301 Ca -0.00 -0.33 -0.36 0.00 1.00 0.00 0.00 62.75 63.06 3hoy n ILE 301 Cb 0.21 -1.87 -0.12 0.00 -0.71 0.00 0.00 39.64 37.15 3hoy n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hoy n TYR 303 N 4.64 3.11 -3.16 0.00 0.53 -1.26 -4.57 117.16 116.44 3hoy n TYR 303 Ca -0.16 -2.68 0.05 0.00 -1.02 0.00 0.00 57.90 54.09 3hoy n TYR 303 Cb 0.52 -1.11 -0.02 0.00 -1.03 0.00 0.00 39.34 37.69 3hoy n TYR 303 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3hoy s ASP 304 N -1.85 -0.15 0.00 7.72 -1.08 -1.26 -4.90 116.67 115.15 3hoy s ASP 304 Ca 0.57 0.11 0.06 0.00 -0.52 0.00 0.00 52.55 52.77 3hoy s ASP 304 Cb 0.46 1.13 0.35 0.00 -1.46 0.00 0.00 42.92 43.40 3hoy s ASP 304 CO -0.19 -0.03 0.93 0.52 0.52 0.00 0.00 175.17 176.93 3hoy n VAL 305 N 5.34 0.00 0.53 1.11 0.31 -1.26 -2.25 118.33 122.12 3hoy n VAL 305 Ca -0.09 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.31 3hoy n VAL 305 Cb 0.55 -0.31 0.03 0.00 -0.91 0.00 0.00 33.84 33.20 3hoy n VAL 305 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3hoy n ASN 306 N -0.64 1.81 -3.58 4.52 3.02 -1.26 -4.63 115.26 114.49 3hoy n ASN 306 Ca 0.04 -1.40 -0.41 0.00 -0.03 0.00 0.00 54.58 52.78 3hoy n ASN 306 Cb 0.02 0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 3hoy n ASN 306 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hoy n ASP 307 N 0.39 6.74 0.32 6.41 -0.08 -0.95 -4.65 116.55 124.73 3hoy n ASP 307 Ca 0.07 -2.93 0.20 0.00 -1.51 0.00 0.00 54.79 50.61 3hoy n ASP 307 Cb 0.29 -1.49 1.09 0.00 2.34 0.00 0.00 41.12 43.35 3hoy n ASP 307 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 3hoy h TRP 308 N 5.24 0.00 0.34 -0.67 5.08 -1.86 -1.47 115.95 122.61 3hoy h TRP 308 Ca 0.65 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.60 3hoy h TRP 308 Cb 0.44 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.60 3hoy h TRP 308 CO 1.56 0.00 -0.16 1.96 -1.28 0.00 0.00 178.44 180.52 3hoy h GLN 309 N 0.00 -0.44 -0.21 0.12 4.20 -1.99 0.37 115.11 117.16 3hoy h GLN 309 Ca 0.01 0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.80 3hoy h GLN 309 Cb 0.17 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 3hoy h GLN 309 CO -0.00 -0.29 -0.11 1.98 -0.67 0.00 0.00 178.83 179.74 3hoy h MET 310 N -0.49 -0.08 -0.35 1.46 4.05 -1.87 -1.54 114.93 116.11 3hoy h MET 310 Ca -0.05 0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.45 3hoy h MET 310 Cb 0.35 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.09 3hoy h MET 310 CO 0.08 -0.05 -0.27 -0.07 0.23 0.00 0.00 176.91 176.82 3hoy h LEU 311 N -0.09 -0.89 -0.84 3.39 3.38 -1.30 0.30 115.31 119.26 3hoy h LEU 311 Ca 0.11 0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.43 3hoy h LEU 311 Cb 0.26 0.43 -0.11 0.00 0.09 0.00 0.00 40.66 41.33 3hoy h LEU 311 CO -0.26 -0.29 0.36 -0.08 0.09 0.00 0.00 178.44 178.26 3hoy h GLU 312 N -0.23 0.44 -0.67 1.13 4.57 0.61 0.24 114.58 120.68 3hoy h GLU 312 Ca 0.17 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 3hoy h GLU 312 Cb 0.50 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 3hoy h GLU 312 CO -0.48 0.29 0.36 0.52 -1.18 0.00 0.00 179.01 178.52 3hoy h MET 313 N 0.45 0.93 0.00 1.92 2.86 0.43 -1.92 114.93 119.60 3hoy h MET 313 Ca 0.49 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 58.01 3hoy h MET 313 Cb 0.84 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 3hoy h MET 313 CO -0.46 0.71 -0.03 -0.07 1.06 0.00 0.00 176.91 178.12 3hoy h LEU 314 N 0.91 0.00 0.15 1.22 3.38 0.15 -3.28 115.31 117.84 3hoy h LEU 314 Ca 0.23 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.21 3hoy h LEU 314 Cb 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3hoy h LEU 314 CO -0.04 0.03 -0.52 0.11 0.09 0.00 0.00 178.44 178.11 3hoy h LYS 315 N 0.00 -0.74 -0.53 1.13 1.57 -0.48 -0.63 116.57 116.89 3hoy h LYS 315 Ca -0.00 0.05 0.15 0.00 -1.87 0.00 0.00 60.65 58.98 3hoy h LYS 315 Cb 0.27 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3hoy h LYS 315 CO 0.00 -0.49 0.38 -1.00 -0.57 0.00 0.00 179.45 177.78 3hoy h PRO 316 N -0.77 0.00 -0.27 3.15 0.13 -1.72 0.17 132.00 132.69 3hoy h PRO 316 Ca -0.01 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.98 3hoy h PRO 316 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 3hoy h PRO 316 CO -0.27 0.00 -0.40 0.00 -0.23 0.00 0.00 178.00 177.10 3hoy h VAL 318 N 0.52 1.18 0.00 0.00 2.07 0.71 -1.79 116.25 118.95 3hoy h VAL 318 Ca 0.04 -0.77 -0.14 0.00 0.82 0.00 0.00 66.70 66.66 3hoy h VAL 318 Cb 0.92 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3hoy h VAL 318 CO 0.08 0.24 -0.67 -0.33 0.02 0.00 0.00 177.57 176.91 3hoy h GLU 319 N 0.28 0.00 -0.11 1.57 5.08 -1.12 -2.78 114.58 117.50 3hoy h GLU 319 Ca 0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3hoy h GLU 319 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3hoy h GLU 319 CO 0.02 0.67 0.06 0.22 -1.00 0.00 0.00 179.01 178.98 3hoy h ASP 320 N 0.00 0.13 -0.07 1.42 3.58 -0.67 -2.84 116.42 117.98 3hoy h ASP 320 Ca -0.01 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 3hoy h ASP 320 Cb 1.29 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.31 3hoy h ASP 320 CO 0.09 0.16 0.00 0.61 -2.88 0.00 0.00 179.24 177.22 3hoy n GLY 321 N -0.95 -0.23 0.49 -0.78 0.00 -1.16 -4.25 105.19 98.31 3hoy n GLY 321 Ca -0.05 -0.34 0.32 0.00 0.00 0.00 0.00 46.02 45.95 3hoy n GLY 321 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hoy h PHE 322 N 1.52 0.20 0.00 1.61 3.57 -1.23 0.30 116.94 122.91 3hoy h PHE 322 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3hoy h PHE 322 Cb 0.33 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.01 3hoy h PHE 322 CO 0.04 0.01 0.00 0.28 -2.23 0.00 0.00 178.31 176.41 3hoy n VAL 323 N -4.33 0.95 -5.00 1.41 0.31 -1.26 -4.47 118.33 105.95 3hoy n VAL 323 Ca 0.26 0.24 -0.29 0.00 -0.01 0.00 0.00 64.34 64.54 3hoy n VAL 323 Cb 1.14 -1.12 -0.17 0.00 -0.91 0.00 0.00 33.84 32.79 3hoy n VAL 323 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3hoy s ILE 324 N -2.63 1.72 0.00 2.52 1.01 0.10 -5.02 121.20 118.90 3hoy s ILE 324 Ca 0.07 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.88 3hoy s ILE 324 Cb 0.05 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 41.03 3hoy s ILE 324 CO 0.12 0.48 0.37 1.67 0.00 0.00 0.00 174.94 177.58 3hoy n GLN 325 N 3.43 -0.59 -3.66 2.79 -0.06 -1.26 -5.00 117.38 113.03 3hoy n GLN 325 Ca -0.20 -0.38 -0.15 0.00 -2.00 0.00 0.00 57.00 54.28 3hoy n GLN 325 Cb 0.53 -0.85 -0.08 0.00 -4.06 0.00 0.00 30.24 25.78 3hoy n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 3hoy s ASP 326 N -0.03 -0.49 0.32 1.69 -4.77 -1.26 -4.95 116.67 107.18 3hoy s ASP 326 Ca 0.00 0.71 0.07 0.00 -3.30 0.00 0.00 52.55 50.03 3hoy s ASP 326 Cb 0.00 0.72 0.89 0.00 -1.09 0.00 0.00 42.92 43.45 3hoy s ASP 326 CO 0.00 -0.38 1.62 -0.09 0.70 0.00 0.00 175.17 177.02 3hoy h ARG 327 N 4.25 0.13 -0.60 2.11 2.43 -1.90 0.48 114.38 121.29 3hoy h ARG 327 Ca -0.28 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.86 3hoy h ARG 327 Cb 1.16 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 3hoy h ARG 327 CO 0.29 0.09 0.28 1.49 -1.51 0.00 0.00 179.97 180.61 3hoy h GLU 328 N 0.14 0.87 -0.35 0.20 4.81 -1.95 0.20 114.58 118.50 3hoy h GLU 328 Ca 0.65 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.67 3hoy h GLU 328 Cb 1.43 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 3hoy h GLU 328 CO -0.74 0.72 -0.05 1.15 -0.73 0.00 0.00 179.01 179.36 3hoy h THR 329 N 0.82 1.27 0.42 0.32 2.02 -0.57 -1.82 112.91 115.38 3hoy h THR 329 Ca 0.20 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 3hoy h THR 329 Cb 0.14 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3hoy h THR 329 CO -0.02 0.36 -0.20 0.00 0.37 0.00 0.00 175.52 176.02 3hoy h ALA 330 N 0.83 -0.57 -0.80 6.16 0.00 -0.69 -1.84 119.26 122.36 3hoy h ALA 330 Ca 0.09 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 55.03 3hoy h ALA 330 Cb 0.54 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3hoy h ALA 330 CO 0.03 -0.76 0.54 1.25 0.00 0.00 0.00 179.25 180.31 3hoy h LEU 331 N -0.69 0.28 0.10 0.00 5.85 -0.62 -2.44 115.31 117.80 3hoy h LEU 331 Ca -0.06 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3hoy h LEU 331 Cb 0.50 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3hoy h LEU 331 CO 0.10 0.13 -0.05 -0.78 -0.34 0.00 0.00 178.44 177.50 3hoy h ASP 332 N 0.29 -0.12 -0.04 1.25 3.58 -0.92 -3.37 116.42 117.09 3hoy h ASP 332 Ca 0.40 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.82 3hoy h ASP 332 Cb 1.11 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 3hoy h ASP 332 CO -0.11 -0.06 0.72 0.33 -2.88 0.00 0.00 179.24 177.25 3hoy n PHE 333 N -2.51 0.34 -2.67 0.28 7.35 -0.73 -3.68 117.46 115.85 3hoy n PHE 333 Ca -0.02 -0.05 -0.05 0.00 -0.76 0.00 0.00 57.45 56.57 3hoy n PHE 333 Cb 0.05 -1.27 0.09 0.00 0.35 0.00 0.00 39.48 38.70 3hoy n PHE 333 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3hoy n ILE 334 N 6.26 0.00 -0.53 -2.13 2.08 -1.26 -4.95 119.36 118.84 3hoy n ILE 334 Ca 0.21 -1.12 -0.09 0.00 0.56 0.00 0.00 62.75 62.31 3hoy n ILE 334 Cb 0.46 0.88 -0.07 0.00 -0.75 0.00 0.00 39.64 40.17 3hoy n ILE 334 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hoy n GLY 335 N -0.76 2.21 4.22 7.39 0.00 -1.24 -4.87 105.19 112.13 3hoy n GLY 335 Ca -0.11 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3hoy n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hoy n ARG 336 N 3.13 0.00 -3.75 1.61 5.12 -1.26 -4.98 116.66 116.53 3hoy n ARG 336 Ca 0.25 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.94 3hoy n ARG 336 Cb 0.37 -1.73 -0.02 0.00 -1.16 0.00 0.00 32.46 29.91 3hoy n ARG 336 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3hoy n LYS 345 N -1.75 0.90 0.00 5.56 4.81 -1.26 -0.67 118.16 125.76 3hoy n LYS 345 Ca 0.00 -2.90 0.00 0.00 -0.87 0.00 0.00 58.31 54.54 3hoy n LYS 345 Cb 0.00 0.53 0.00 0.00 0.02 0.00 0.00 35.03 35.58 3hoy n LYS 345 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3hoy n GLU 346 N -1.32 0.00 0.20 1.64 1.02 -1.26 -4.18 120.64 116.74 3hoy n GLU 346 Ca -0.09 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.94 3hoy n GLU 346 Cb 0.52 -1.38 -0.06 0.00 -0.02 0.00 0.00 31.44 30.50 3hoy n GLU 346 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3hoy h LYS 347 N 0.00 -0.55 0.07 3.49 2.10 -2.04 -3.29 116.57 116.36 3hoy h LYS 347 Ca 0.00 0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.68 3hoy h LYS 347 Cb 0.00 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 3hoy h LYS 347 CO 0.00 -0.28 -0.03 0.07 -2.00 0.00 0.00 179.45 177.21 3hoy h ARG 348 N -1.06 -0.09 -1.57 0.07 0.11 -1.97 -2.92 114.38 106.95 3hoy h ARG 348 Ca -0.06 0.01 0.49 0.00 0.10 0.00 0.00 59.98 60.51 3hoy h ARG 348 Cb 0.53 0.02 -0.10 0.00 1.11 0.00 0.00 29.97 31.52 3hoy h ARG 348 CO 0.10 0.14 1.08 0.82 0.10 0.00 0.00 179.97 182.20 3hoy h ILE 349 N -0.32 0.09 0.06 0.08 2.04 -1.83 0.82 117.51 118.44 3hoy h ILE 349 Ca -0.01 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 3hoy h ILE 349 Cb 0.28 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3hoy h ILE 349 CO 0.02 0.01 -0.03 -0.61 0.00 0.00 0.00 178.15 177.53 3hoy h GLN 350 N 0.04 -0.08 -0.87 2.37 5.75 -1.59 -3.26 115.11 117.47 3hoy h GLN 350 Ca 0.85 0.01 0.34 0.00 -0.15 0.00 0.00 58.65 59.70 3hoy h GLN 350 Cb 3.05 0.02 -0.16 0.00 1.07 0.00 0.00 27.48 31.46 3hoy h GLN 350 CO -0.24 0.45 0.38 0.98 -2.65 0.00 0.00 178.83 177.76 3hoy n TYR 351 N -4.77 0.93 0.03 3.99 9.36 0.28 0.72 117.16 127.70 3hoy n TYR 351 Ca -0.07 1.03 -0.14 0.00 3.32 0.00 0.00 57.90 62.05 3hoy n TYR 351 Cb 0.28 -1.39 -0.03 0.00 -0.63 0.00 0.00 39.34 37.58 3hoy n TYR 351 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3hoy h ALA 352 N 1.74 0.43 0.00 2.98 0.00 -1.53 -2.86 119.26 120.02 3hoy h ALA 352 Ca 0.70 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hoy h ALA 352 Cb 1.79 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 3hoy h ALA 352 CO -0.70 0.74 -0.04 -0.22 0.00 0.00 0.00 179.25 179.04 3hoy h LYS 353 N 0.36 0.00 0.28 0.00 3.64 0.26 -1.03 116.57 120.07 3hoy h LYS 353 Ca -0.06 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3hoy h LYS 353 Cb 1.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3hoy h LYS 353 CO 0.15 0.04 -0.13 -0.44 -2.27 0.00 0.00 179.45 176.79 3hoy h ASP 354 N 0.00 -0.32 -0.86 4.20 3.32 -1.35 -3.20 116.42 118.22 3hoy h ASP 354 Ca -0.00 0.01 0.22 0.00 0.02 0.00 0.00 57.03 57.28 3hoy h ASP 354 Cb 0.08 0.08 -0.14 0.00 0.22 0.00 0.00 39.33 39.57 3hoy h ASP 354 CO 0.00 0.04 0.22 0.40 -1.72 0.00 0.00 179.24 178.18 3hoy h ILE 355 N -0.90 0.35 0.00 0.35 2.04 -1.26 0.55 117.51 118.63 3hoy h ILE 355 Ca -0.04 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 3hoy h ILE 355 Cb 0.29 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3hoy h ILE 355 CO 0.06 0.04 -0.22 -0.07 0.00 0.00 0.00 178.15 177.96 3hoy h LEU 356 N 0.22 0.00 -2.52 1.44 3.38 -1.32 0.32 115.31 116.83 3hoy h LEU 356 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.50 3hoy h LEU 356 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3hoy h LEU 356 CO -0.64 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.12 3hoy n GLN 357 N -3.76 2.23 0.00 1.13 6.02 0.61 -4.11 117.38 119.50 3hoy n GLN 357 Ca -0.01 -1.69 0.00 0.00 -0.01 0.00 0.00 57.00 55.28 3hoy n GLN 357 Cb 0.33 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.40 3hoy n GLN 357 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3hoy n LYS 358 N 0.32 2.14 -0.05 -1.09 5.02 0.16 -4.33 118.16 120.33 3hoy n LYS 358 Ca 0.08 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.28 3hoy n LYS 358 Cb 0.34 -0.79 -0.03 0.00 -0.02 0.00 0.00 35.03 34.53 3hoy n LYS 358 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3hoy n GLU 359 N -1.41 0.34 -1.61 1.97 -0.58 0.96 -4.76 120.64 115.55 3hoy n GLU 359 Ca 0.00 0.14 -0.50 0.00 -0.42 0.00 0.00 57.16 56.37 3hoy n GLU 359 Cb 0.29 -1.09 -0.06 0.00 -0.57 0.00 0.00 31.44 30.01 3hoy n GLU 359 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3hoy n PHE 360 N -4.02 2.03 -3.85 -0.32 7.35 -0.18 -2.45 117.46 116.02 3hoy n PHE 360 Ca -0.15 0.17 -0.38 0.00 -0.76 0.00 0.00 57.45 56.33 3hoy n PHE 360 Cb 0.43 -2.59 0.03 0.00 0.35 0.00 0.00 39.48 37.70 3hoy n PHE 360 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3hoy n LEU 361 N 7.78 -1.70 0.29 -2.13 4.32 -1.26 -4.73 117.00 119.56 3hoy n LEU 361 Ca 0.30 -1.14 0.14 0.00 -0.02 0.00 0.00 56.01 55.30 3hoy n LEU 361 Cb 0.25 -2.04 0.87 0.00 -1.62 0.00 0.00 43.42 40.88 3hoy n LEU 361 CO 0.75 0.61 1.08 1.55 -1.22 0.00 0.00 177.39 180.16 3hoy h PRO 362 N -2.17 0.00 0.00 3.23 0.13 -1.76 -3.39 132.00 128.04 3hoy h PRO 362 Ca -0.68 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.44 3hoy h PRO 362 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3hoy h PRO 362 CO 0.49 0.04 0.00 -2.39 -0.23 0.00 0.00 178.00 175.92 3hoy n HIS 363 N -3.77 -3.67 0.00 1.56 1.44 -1.26 -3.60 115.22 105.92 3hoy n HIS 363 Ca -0.03 -0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 3hoy n HIS 363 Cb 0.13 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.22 3hoy n HIS 363 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3hoy n ILE 364 N -2.20 0.00 0.00 0.61 5.41 -1.26 -4.67 119.36 117.25 3hoy n ILE 364 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3hoy n ILE 364 Cb 0.01 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.94 3hoy n ILE 364 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 3hoy n THR 365 N 0.00 0.00 -0.25 1.39 5.66 -1.24 -5.00 114.28 114.85 3hoy n THR 365 Ca 0.00 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 3hoy n THR 365 Cb 0.00 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 68.84 3hoy n THR 365 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hoy n GLN 366 N -1.00 2.69 0.00 1.09 6.02 -1.26 -4.71 117.38 120.20 3hoy n GLN 366 Ca 0.00 -1.81 0.00 0.00 -0.01 0.00 0.00 57.00 55.18 3hoy n GLN 366 Cb 0.00 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.10 3hoy n GLN 366 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hoy n LEU 367 N -0.51 0.00 0.00 1.08 4.77 -1.26 -4.65 117.00 116.42 3hoy n LEU 367 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3hoy n LEU 367 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3hoy n LEU 367 CO 0.02 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.29 3hoy n GLU 368 N 0.00 0.00 -1.88 3.23 2.13 -1.26 -4.95 120.64 117.91 3hoy n GLU 368 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 3hoy n GLU 368 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 3hoy n GLU 368 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3hoy s GLY 369 N -0.17 -0.29 0.00 8.31 0.00 -1.26 -4.14 107.32 109.77 3hoy s GLY 369 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.06 3hoy s GLY 369 CO 0.00 3.82 0.09 0.69 0.00 0.00 0.00 173.10 177.70 3hoy n PHE 370 N 16.23 0.00 -0.33 1.90 0.99 -1.26 -4.96 117.46 130.03 3hoy n PHE 370 Ca 0.43 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 58.04 3hoy n PHE 370 Cb 0.46 0.15 0.31 0.00 -1.00 0.00 0.00 39.48 39.41 3hoy n PHE 370 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 3hoy h GLU 371 N 0.00 0.05 0.00 -1.08 3.07 -1.90 2.22 114.58 116.94 3hoy h GLU 371 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hoy h GLU 371 Cb 1.00 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 3hoy h GLU 371 CO 0.00 0.03 0.00 -1.13 -1.40 0.00 0.00 179.01 176.51 3hoy n SER 372 N -5.41 0.00 -0.09 1.42 3.41 -1.26 0.14 113.62 111.82 3hoy n SER 372 Ca 0.24 0.33 -0.11 0.00 -0.26 0.00 0.00 58.87 59.07 3hoy n SER 372 Cb 0.79 -0.37 -0.12 0.00 -0.26 0.00 0.00 64.21 64.25 3hoy n SER 372 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3hoy n ARG 373 N -1.37 0.98 0.09 4.33 0.63 0.74 -3.62 116.66 118.44 3hoy n ARG 373 Ca 0.02 0.05 -0.18 0.00 -0.92 0.00 0.00 57.85 56.82 3hoy n ARG 373 Cb 0.05 -1.42 -0.14 0.00 0.45 0.00 0.00 32.46 31.39 3hoy n ARG 373 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3hoy h LYS 374 N 0.00 0.31 -0.25 -0.14 1.57 -0.22 -3.14 116.57 114.71 3hoy h LYS 374 Ca -0.46 -0.54 -0.18 0.00 -1.87 0.00 0.00 60.65 57.61 3hoy h LYS 374 Cb 1.90 0.20 0.00 0.00 0.08 0.00 0.00 32.23 34.42 3hoy h LYS 374 CO -0.02 1.22 -0.55 0.00 -0.57 0.00 0.00 179.45 179.54 3hoy h ALA 375 N 0.45 0.40 0.00 3.86 0.00 0.98 -0.81 119.26 124.14 3hoy h ALA 375 Ca -0.21 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 3hoy h ALA 375 Cb 2.03 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 3hoy h ALA 375 CO 0.20 0.61 -0.07 0.74 0.00 0.00 0.00 179.25 180.73 3hoy h PHE 376 N 0.56 0.00 0.05 0.00 -1.00 -1.68 -1.52 116.94 113.36 3hoy h PHE 376 Ca 0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 3hoy h PHE 376 Cb 1.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.72 3hoy h PHE 376 CO 0.08 0.07 -0.03 0.35 -1.61 0.00 0.00 178.31 177.17 3hoy h PHE 377 N 0.00 -0.07 -1.68 -0.55 3.57 -1.44 -2.28 116.94 114.49 3hoy h PHE 377 Ca -0.00 -0.00 0.49 0.00 3.53 0.00 0.00 57.97 61.99 3hoy h PHE 377 Cb 0.22 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 3hoy h PHE 377 CO 0.00 -0.04 1.23 1.25 -2.23 0.00 0.00 178.31 178.52 3hoy h LEU 378 N -0.63 0.00 -0.18 0.59 5.85 -1.04 4.48 115.31 124.39 3hoy h LEU 378 Ca -0.01 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 3hoy h LEU 378 Cb 0.06 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3hoy h LEU 378 CO 0.01 0.00 -0.25 1.23 -0.34 0.00 0.00 178.44 179.09 3hoy h GLY 379 N 0.00 0.53 0.35 3.75 0.00 -1.29 -1.91 103.07 104.50 3hoy h GLY 379 Ca 0.80 -0.58 0.10 0.00 0.00 0.00 0.00 47.33 47.65 3hoy h GLY 379 CO -0.01 0.52 0.23 -1.82 0.00 0.00 0.00 176.54 175.47 3hoy h TYR 380 N 0.13 0.41 0.92 5.60 3.20 0.93 -0.59 116.97 127.57 3hoy h TYR 380 Ca 0.02 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3hoy h TYR 380 Cb 0.82 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 39.02 3hoy h TYR 380 CO 0.09 0.09 -0.44 0.52 -1.64 0.00 0.00 178.16 176.78 3hoy h MET 381 N 0.41 -1.19 -0.10 1.82 2.86 -1.00 -1.94 114.93 115.80 3hoy h MET 381 Ca 0.32 0.08 0.03 0.00 -2.06 0.00 0.00 59.70 58.07 3hoy h MET 381 Cb 0.41 0.27 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 3hoy h MET 381 CO -0.32 -0.79 0.44 0.82 1.06 0.00 0.00 176.91 178.11 3hoy h ILE 382 N -1.25 0.07 0.16 -1.22 2.04 -0.98 0.19 117.51 116.52 3hoy h ILE 382 Ca -0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3hoy h ILE 382 Cb 0.95 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3hoy h ILE 382 CO 0.21 0.00 -0.08 -1.13 0.00 0.00 0.00 178.15 177.15 3hoy h ASN 383 N 0.00 -0.18 -0.97 1.72 -1.24 -0.54 -3.12 115.58 111.25 3hoy h ASN 383 Ca 0.05 0.01 0.27 0.00 0.71 0.00 0.00 56.30 57.33 3hoy h ASN 383 Cb 0.92 0.05 -0.14 0.00 0.73 0.00 0.00 38.32 39.88 3hoy h ASN 383 CO -0.00 0.01 0.50 0.03 -1.29 0.00 0.00 177.43 176.68 3hoy h ARG 384 N -0.50 0.38 0.10 6.67 2.47 -0.15 0.34 114.38 123.69 3hoy h ARG 384 Ca -0.02 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3hoy h ARG 384 Cb 0.17 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.35 3hoy h ARG 384 CO 0.04 0.25 -0.39 1.25 0.56 0.00 0.00 179.97 181.68 3hoy h LEU 385 N 0.40 -1.16 -0.99 3.04 5.85 -0.84 -2.85 115.31 118.76 3hoy h LEU 385 Ca 0.66 0.13 -0.09 0.00 0.84 0.00 0.00 57.88 59.41 3hoy h LEU 385 Cb 1.37 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 42.83 3hoy h LEU 385 CO -0.56 -0.46 -0.29 -0.07 -0.34 0.00 0.00 178.44 176.71 3hoy h LEU 386 N -0.61 0.38 -1.27 2.25 3.38 -0.37 -2.67 115.31 116.40 3hoy h LEU 386 Ca 0.03 -0.13 0.18 0.00 0.09 0.00 0.00 57.88 58.04 3hoy h LEU 386 Cb 0.65 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.22 3hoy h LEU 386 CO -0.24 0.67 0.60 -0.07 0.09 0.00 0.00 178.44 179.48 3hoy h LEU 387 N 0.33 0.62 0.03 1.67 4.07 -0.69 -2.08 115.31 119.27 3hoy h LEU 387 Ca 0.05 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 3hoy h LEU 387 Cb 0.68 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.36 3hoy h LEU 387 CO 0.05 0.27 -0.02 0.00 -1.08 0.00 0.00 178.44 177.66 3hoy n ALA 389 N -2.65 0.49 0.67 0.00 0.00 -1.03 0.15 120.51 118.15 3hoy n ALA 389 Ca -0.06 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.47 3hoy n ALA 389 Cb 0.28 -0.53 -0.08 0.00 0.00 0.00 0.00 19.45 19.12 3hoy n ALA 389 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hoy n LEU 390 N -1.45 0.72 -0.18 0.00 4.77 -0.81 -5.01 117.00 115.03 3hoy n LEU 390 Ca -0.00 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3hoy n LEU 390 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3hoy n LEU 390 CO 0.01 0.18 0.00 0.47 -1.33 0.00 0.00 177.39 176.72 3hoy n ASP 391 N -1.27 -1.10 -0.09 -1.43 9.92 0.41 -4.99 116.55 118.01 3hoy n ASP 391 Ca 0.03 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.14 3hoy n ASP 391 Cb 0.23 -0.37 -0.08 0.00 -0.64 0.00 0.00 41.12 40.26 3hoy n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3hoy n ARG 392 N -0.68 0.44 -5.08 -1.24 1.74 -0.11 -4.97 116.66 106.77 3hoy n ARG 392 Ca 0.00 0.12 -0.32 0.00 -0.77 0.00 0.00 57.85 56.88 3hoy n ARG 392 Cb 0.37 -1.32 -0.15 0.00 -1.02 0.00 0.00 32.46 30.34 3hoy n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3hoy s LYS 393 N -2.36 2.42 1.19 5.56 1.02 -1.18 -4.98 119.74 121.41 3hoy s LYS 393 Ca -0.25 -0.80 -0.18 0.00 0.02 0.00 0.00 55.97 54.76 3hoy s LYS 393 Cb 0.07 -2.25 0.28 0.00 -0.52 0.00 0.00 37.83 35.41 3hoy s LYS 393 CO 0.40 0.55 1.07 -0.51 -0.92 0.00 0.00 175.35 175.94 3hoy s ASP 394 N -0.55 0.98 0.74 2.83 1.01 -1.26 -4.21 116.67 116.20 3hoy s ASP 394 Ca 0.08 0.86 -0.11 0.00 0.71 0.00 0.00 52.55 54.09 3hoy s ASP 394 Cb -0.11 -1.27 0.04 0.00 1.01 0.00 0.00 42.92 42.59 3hoy s ASP 394 CO 0.01 -4.11 1.08 -1.58 0.21 0.00 0.00 175.17 170.77 3hoy s GLN 395 N -5.17 2.53 -0.12 8.23 0.74 -1.26 -4.91 119.66 119.70 3hoy s GLN 395 Ca 0.69 0.93 -0.26 0.00 0.05 0.00 0.00 55.36 56.77 3hoy s GLN 395 Cb -0.14 -1.95 -0.02 0.00 1.10 0.00 0.00 33.01 32.01 3hoy s GLN 395 CO 0.57 -1.38 0.86 -0.51 -0.55 0.00 0.00 175.29 174.28 3hoy s ASP 396 N -3.71 7.07 -0.34 6.67 1.01 0.77 -5.01 116.67 123.13 3hoy s ASP 396 Ca 0.60 1.30 -0.29 0.00 0.71 0.00 0.00 52.55 54.87 3hoy s ASP 396 Cb -0.15 -2.48 0.02 0.00 1.01 0.00 0.00 42.92 41.32 3hoy s ASP 396 CO 0.55 -0.33 1.08 -0.62 0.21 0.00 0.00 175.17 176.06 3hoy s ASP 397 N 1.06 6.88 0.46 0.27 2.15 -1.26 -4.86 116.67 121.36 3hoy s ASP 397 Ca 0.42 0.95 0.30 0.00 0.43 0.00 0.00 52.55 54.65 3hoy s ASP 397 Cb -0.18 -2.54 1.20 0.00 -0.30 0.00 0.00 42.92 41.11 3hoy s ASP 397 CO 0.16 -0.93 1.89 0.03 -0.17 0.00 0.00 175.17 176.15 3hoy h ARG 398 N 8.27 0.00 -0.62 4.34 3.08 -1.99 -3.17 114.38 124.30 3hoy h ARG 398 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3hoy h ARG 398 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3hoy h ARG 398 CO 1.04 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.69 3hoy n ASP 399 N -2.84 3.54 -4.68 7.04 8.00 -1.26 -4.87 116.55 121.49 3hoy n ASP 399 Ca 0.01 -2.33 -0.42 0.00 0.71 0.00 0.00 54.79 52.76 3hoy n ASP 399 Cb 0.30 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.88 3hoy n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3hoy s HIS 400 N -1.78 2.87 0.33 1.24 2.46 -1.20 -4.87 115.29 114.34 3hoy s HIS 400 Ca 0.36 0.88 0.01 0.00 0.47 0.00 0.00 55.06 56.79 3hoy s HIS 400 Cb 0.24 -3.61 0.59 0.00 -0.13 0.00 0.00 32.58 29.66 3hoy s HIS 400 CO 0.17 -2.23 1.98 0.35 -2.47 0.00 0.00 174.74 172.54 3hoy h PHE 401 N 7.89 0.88 -0.32 3.88 3.57 -1.89 -2.76 116.94 128.20 3hoy h PHE 401 Ca -0.36 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.25 3hoy h PHE 401 Cb 1.17 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3hoy h PHE 401 CO 0.76 0.53 0.47 0.78 -2.23 0.00 0.00 178.31 178.62 3hoy h GLY 402 N 0.93 0.00 -3.02 2.40 0.00 -1.89 0.63 103.07 102.12 3hoy h GLY 402 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3hoy h GLY 402 CO -0.07 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.75 3hoy n LYS 403 N -3.42 3.79 -4.20 4.80 5.02 -1.04 -4.58 118.16 118.52 3hoy n LYS 403 Ca 0.05 -2.90 -0.23 0.00 -2.02 0.00 0.00 58.31 53.22 3hoy n LYS 403 Cb 0.61 -1.91 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 3hoy n LYS 403 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hoy s LYS 404 N -1.93 2.41 0.07 1.97 1.02 0.21 -0.17 119.74 123.33 3hoy s LYS 404 Ca 0.51 -1.41 0.02 0.00 0.02 0.00 0.00 55.97 55.11 3hoy s LYS 404 Cb 0.33 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.38 3hoy s LYS 404 CO 0.23 0.28 -0.07 1.03 -0.92 0.00 0.00 175.35 175.90 3hoy s ARG 405 N -3.76 0.70 -0.28 1.68 1.81 0.19 -4.68 118.95 114.61 3hoy s ARG 405 Ca 0.34 -1.06 0.02 0.00 -1.72 0.00 0.00 55.73 53.31 3hoy s ARG 405 Cb -0.05 -0.27 0.07 0.00 -0.45 0.00 0.00 34.95 34.25 3hoy s ARG 405 CO 0.22 0.02 -0.03 -0.51 -0.68 0.00 0.00 175.30 174.32 3hoy s LEU 406 N -2.33 3.45 -0.13 2.53 1.43 -0.93 -1.15 118.68 121.56 3hoy s LEU 406 Ca 0.01 -1.56 -0.29 0.00 -1.03 0.00 0.00 54.13 51.26 3hoy s LEU 406 Cb -0.02 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 3hoy s LEU 406 CO -0.02 -0.27 1.21 -1.81 0.23 0.00 0.00 176.35 175.68 3hoy s ASP 407 N 1.18 7.01 0.00 2.29 1.01 -0.16 -4.74 116.67 123.25 3hoy s ASP 407 Ca -0.01 1.70 0.00 0.00 0.71 0.00 0.00 52.55 54.95 3hoy s ASP 407 Cb -0.19 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.19 3hoy s ASP 407 CO -0.08 -0.67 0.00 0.18 0.21 0.00 0.00 175.17 174.81 3hoy n LEU 408 N 5.98 0.00 -0.32 1.23 4.32 -1.26 -1.68 117.00 125.26 3hoy n LEU 408 Ca 0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 56.08 3hoy n LEU 408 Cb 0.46 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.28 3hoy n LEU 408 CO 0.55 -0.35 0.59 0.00 -1.22 0.00 0.00 177.39 176.97 3hoy h ALA 409 N 0.39 0.05 0.07 -1.18 0.00 -1.87 -2.39 119.26 114.34 3hoy h ALA 409 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3hoy h ALA 409 Cb 0.00 0.96 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3hoy h ALA 409 CO 0.00 -0.66 -0.14 0.78 0.00 0.00 0.00 179.25 179.22 3hoy h GLY 410 N -0.06 -1.07 -0.77 0.00 0.00 -1.89 -1.82 103.07 97.46 3hoy h GLY 410 Ca 0.30 0.49 0.15 0.00 0.00 0.00 0.00 47.33 48.26 3hoy h GLY 410 CO -0.88 -0.37 -0.33 -2.55 0.00 0.00 0.00 176.54 172.41 3hoy h PRO 411 N -0.23 -0.05 -0.86 4.80 0.11 -1.78 0.17 132.00 134.17 3hoy h PRO 411 Ca -0.01 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.12 3hoy h PRO 411 Cb 0.22 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.30 3hoy h PRO 411 CO -0.05 -0.03 0.57 -0.07 -0.21 0.00 0.00 178.00 178.20 3hoy h LEU 412 N -0.05 0.96 -0.44 2.35 4.07 -1.37 0.11 115.31 120.95 3hoy h LEU 412 Ca 0.33 -0.02 -0.05 0.00 0.08 0.00 0.00 57.88 58.22 3hoy h LEU 412 Cb 0.60 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 3hoy h LEU 412 CO -0.88 0.68 0.07 -0.07 -1.08 0.00 0.00 178.44 177.16 3hoy h LEU 413 N 1.13 0.70 0.54 1.67 3.38 0.10 -1.72 115.31 121.11 3hoy h LEU 413 Ca 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3hoy h LEU 413 Cb -0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3hoy h LEU 413 CO -0.08 0.78 -0.48 0.00 0.09 0.00 0.00 178.44 178.75 3hoy h ALA 414 N 0.94 -1.17 -0.65 1.53 0.00 0.32 1.00 119.26 121.24 3hoy h ALA 414 Ca 0.13 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.99 3hoy h ALA 414 Cb 0.38 0.69 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 3hoy h ALA 414 CO 0.01 -1.18 -0.03 0.37 0.00 0.00 0.00 179.25 178.42 3hoy h GLN 415 N -1.01 0.09 0.72 0.00 4.15 -0.80 -1.52 115.11 116.74 3hoy h GLN 415 Ca -0.07 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 3hoy h GLN 415 Cb 0.86 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.53 3hoy h GLN 415 CO -0.03 0.06 -0.34 1.25 -1.93 0.00 0.00 178.83 177.84 3hoy h LEU 416 N 0.09 -0.82 -0.56 -2.39 6.46 -0.90 -3.02 115.31 114.17 3hoy h LEU 416 Ca 0.34 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 58.20 3hoy h LEU 416 Cb 0.56 0.21 -0.11 0.00 -0.73 0.00 0.00 40.66 40.59 3hoy h LEU 416 CO -0.58 -0.50 -0.31 0.15 -0.62 0.00 0.00 178.44 176.58 3hoy h PHE 417 N -1.10 -0.84 -0.20 1.25 3.57 0.15 -2.06 116.94 117.70 3hoy h PHE 417 Ca -0.10 0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.49 3hoy h PHE 417 Cb 0.76 0.45 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 3hoy h PHE 417 CO -0.01 -0.37 -0.16 0.87 -2.23 0.00 0.00 178.31 176.41 3hoy h LYS 418 N -0.16 -0.05 -0.64 1.11 1.57 -1.29 0.39 116.57 117.50 3hoy h LYS 418 Ca 0.23 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.20 3hoy h LYS 418 Cb 0.54 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3hoy h LYS 418 CO -0.65 -0.04 1.06 2.41 -0.57 0.00 0.00 179.45 181.67 3hoy n THR 419 N -3.56 0.00 -0.10 -0.16 -1.04 -0.79 -1.25 114.28 107.39 3hoy n THR 419 Ca -0.00 1.08 -0.17 0.00 -2.04 0.00 0.00 64.05 62.92 3hoy n THR 419 Cb 0.09 -2.01 -0.06 0.00 -1.82 0.00 0.00 70.33 66.53 3hoy n THR 419 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3hoy n LEU 420 N -2.84 1.75 0.03 -4.42 4.77 0.11 -3.61 117.00 112.79 3hoy n LEU 420 Ca 0.14 0.30 0.22 0.00 -0.03 0.00 0.00 56.01 56.64 3hoy n LEU 420 Cb 1.26 -0.70 0.72 0.00 -2.33 0.00 0.00 43.42 42.37 3hoy n LEU 420 CO 0.14 0.10 1.20 0.15 -1.33 0.00 0.00 177.39 177.65 3hoy h PHE 421 N -0.86 0.00 -0.02 -1.77 3.57 0.17 1.90 116.94 119.94 3hoy h PHE 421 Ca -0.32 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.18 3hoy h PHE 421 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 3hoy h PHE 421 CO -0.22 0.00 -0.32 1.63 -2.23 0.00 0.00 178.31 177.17 3hoy n LYS 422 N -3.79 1.40 0.01 1.11 5.02 -0.38 -0.95 118.16 120.59 3hoy n LYS 422 Ca 0.10 -1.11 0.08 0.00 -2.02 0.00 0.00 58.31 55.37 3hoy n LYS 422 Cb 0.73 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 34.13 3hoy n LYS 422 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3hoy n LYS 423 N 0.17 0.65 -0.01 1.97 0.00 0.54 -3.35 118.16 118.13 3hoy n LYS 423 Ca 0.11 -0.09 -0.18 0.00 0.00 0.00 0.00 58.31 58.15 3hoy n LYS 423 Cb 0.47 -1.60 -0.14 0.00 0.00 0.00 0.00 35.03 33.76 3hoy n LYS 423 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3hoy h LEU 424 N 0.00 0.25 -1.05 3.14 5.85 0.15 -3.21 115.31 120.44 3hoy h LEU 424 Ca -0.07 -0.91 0.22 0.00 0.84 0.00 0.00 57.88 57.96 3hoy h LEU 424 Cb 1.18 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.02 3hoy h LEU 424 CO 0.01 1.31 0.61 0.74 -0.34 0.00 0.00 178.44 180.77 3hoy h THR 425 N -0.63 0.62 -0.24 1.05 2.02 -1.17 1.25 112.91 115.81 3hoy h THR 425 Ca -0.15 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3hoy h THR 425 Cb 1.42 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3hoy h THR 425 CO 0.05 0.12 0.00 2.29 0.37 0.00 0.00 175.52 178.35 3hoy n LYS 426 N -4.79 1.62 -0.12 6.66 2.85 -1.21 -2.88 118.16 120.29 3hoy n LYS 426 Ca 0.25 -0.89 -0.23 0.00 -1.05 0.00 0.00 58.31 56.39 3hoy n LYS 426 Cb 0.67 -1.23 -0.09 0.00 -0.65 0.00 0.00 35.03 33.73 3hoy n LYS 426 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3hoy n ASP 427 N 0.21 1.76 -0.33 -5.58 8.00 0.39 -4.05 116.55 116.94 3hoy n ASP 427 Ca 0.08 0.22 0.25 0.00 0.71 0.00 0.00 54.79 56.04 3hoy n ASP 427 Cb 0.23 -0.63 0.47 0.00 -0.02 0.00 0.00 41.12 41.18 3hoy n ASP 427 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3hoy h ILE 428 N -0.70 0.16 0.22 0.53 2.04 -0.24 0.21 117.51 119.74 3hoy h ILE 428 Ca -0.58 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 3hoy h ILE 428 Cb 1.56 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3hoy h ILE 428 CO -0.31 0.03 -0.11 0.15 0.00 0.00 0.00 178.15 177.91 3hoy h PHE 429 N 0.16 -0.27 0.00 1.37 3.57 -1.71 -3.07 116.94 116.98 3hoy h PHE 429 Ca 0.74 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.23 3hoy h PHE 429 Cb 1.77 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.60 3hoy h PHE 429 CO -0.09 0.00 0.14 0.54 -2.23 0.00 0.00 178.31 176.67 3hoy n ARG 430 N -5.11 0.00 -0.09 1.11 1.74 0.74 -1.72 116.66 113.32 3hoy n ARG 430 Ca -0.09 0.33 -0.23 0.00 -0.77 0.00 0.00 57.85 57.08 3hoy n ARG 430 Cb 0.22 -1.64 -0.12 0.00 -1.02 0.00 0.00 32.46 29.90 3hoy n ARG 430 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3hoy n TYR 431 N -1.31 0.59 -0.16 -1.55 9.36 -1.15 -4.34 117.16 118.61 3hoy n TYR 431 Ca 0.00 0.19 -0.05 0.00 3.32 0.00 0.00 57.90 61.36 3hoy n TYR 431 Cb 0.14 -1.07 0.12 0.00 -0.63 0.00 0.00 39.34 37.90 3hoy n TYR 431 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 3hoy h MET 432 N -0.57 0.91 -1.69 2.98 2.86 -1.43 -2.84 114.93 115.16 3hoy h MET 432 Ca -0.51 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 56.89 3hoy h MET 432 Cb 1.67 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.22 3hoy h MET 432 CO -0.18 0.87 0.00 1.04 1.06 0.00 0.00 176.91 179.70 3hoy n GLN 433 N -4.22 0.62 0.00 1.72 6.02 -0.70 -1.62 117.38 119.20 3hoy n GLN 433 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3hoy n GLN 433 Cb 0.29 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.36 3hoy n GLN 433 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hoy n ARG 434 N 1.19 0.54 -1.40 -1.09 1.74 -1.12 -5.00 116.66 111.52 3hoy n ARG 434 Ca 0.00 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.70 3hoy n ARG 434 Cb 0.31 -0.09 -0.07 0.00 -1.02 0.00 0.00 32.46 31.60 3hoy n ARG 434 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hoy n THR 435 N -0.24 1.60 -0.61 0.55 -1.04 -0.64 -4.74 114.28 109.16 3hoy n THR 435 Ca 0.00 -1.50 -0.09 0.00 -2.04 0.00 0.00 64.05 60.42 3hoy n THR 435 Cb 0.00 -2.23 -0.09 0.00 -1.82 0.00 0.00 70.33 66.19 3hoy n THR 435 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3hoy n VAL 436 N 6.80 1.86 0.00 12.58 0.31 -1.26 -5.04 118.33 133.59 3hoy n VAL 436 Ca 0.48 -0.96 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 3hoy n VAL 436 Cb 0.43 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 3hoy n VAL 436 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hoy n GLU 437 N 2.86 0.00 -2.70 5.55 1.02 -1.26 -5.28 120.64 120.83 3hoy n GLU 437 Ca 0.28 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.40 3hoy n GLU 437 Cb 0.50 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 32.03 3hoy n GLU 437 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 3hoy n LEU 446 N -0.79 -0.72 -0.06 -4.62 -0.00 -1.26 -5.27 117.00 104.28 3hoy n LEU 446 Ca 0.00 -3.16 -0.01 0.00 -0.00 0.00 0.00 56.01 52.84 3hoy n LEU 446 Cb 0.00 0.18 -0.00 0.00 -0.00 0.00 0.00 43.42 43.60 3hoy n LEU 446 CO 0.00 1.55 -0.01 0.00 -0.00 0.00 0.00 177.39 178.93 3hoy n ALA 447 N -1.31 -0.01 -2.91 1.47 0.00 -1.26 -4.97 120.51 111.51 3hoy n ALA 447 Ca -0.12 0.01 -0.44 0.00 0.00 0.00 0.00 53.44 52.89 3hoy n ALA 447 Cb 0.86 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3hoy n ALA 447 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hoy n ILE 448 N -2.88 4.23 -1.56 0.00 5.41 -1.26 -4.87 119.36 118.43 3hoy n ILE 448 Ca -0.01 -4.68 -0.13 0.00 1.00 0.00 0.00 62.75 58.93 3hoy n ILE 448 Cb 0.07 -2.46 -0.09 0.00 -0.71 0.00 0.00 39.64 36.45 3hoy n ILE 448 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3hoy n ASN 449 N 5.81 1.52 -0.47 4.38 5.15 -1.26 -4.76 115.26 125.63 3hoy n ASN 449 Ca 0.38 -1.94 0.00 0.00 -0.60 0.00 0.00 54.58 52.42 3hoy n ASN 449 Cb 0.43 -1.68 0.00 0.00 -0.53 0.00 0.00 39.78 38.00 3hoy n ASN 449 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hoy n ALA 450 N 19.15 2.10 0.54 5.20 0.00 -1.26 -2.70 120.51 143.54 3hoy n ALA 450 Ca 0.44 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.00 3hoy n ALA 450 Cb 0.45 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 18.98 3hoy n ALA 450 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3hoy n LYS 451 N 0.10 0.31 0.07 0.00 4.81 -1.26 -2.67 118.16 119.51 3hoy n LYS 451 Ca 0.00 0.04 -0.12 0.00 -0.87 0.00 0.00 58.31 57.36 3hoy n LYS 451 Cb 0.17 -1.64 -0.08 0.00 0.02 0.00 0.00 35.03 33.49 3hoy n LYS 451 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3hoy h THR 452 N 0.00 0.91 -0.38 3.15 2.02 -1.89 -2.73 112.91 114.00 3hoy h THR 452 Ca 0.00 -1.02 -0.09 0.00 0.77 0.00 0.00 66.41 66.07 3hoy h THR 452 Cb 0.75 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 3hoy h THR 452 CO 0.00 0.21 -0.12 0.40 0.37 0.00 0.00 175.52 176.38 3hoy h ILE 453 N -0.78 1.25 0.38 3.11 2.04 -1.82 -1.31 117.51 120.38 3hoy h ILE 453 Ca -0.02 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 3hoy h ILE 453 Cb 0.52 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3hoy h ILE 453 CO 0.04 0.38 -0.27 0.74 0.00 0.00 0.00 178.15 179.03 3hoy h THR 454 N 0.60 0.00 -0.21 -0.27 2.02 -1.63 -2.68 112.91 110.74 3hoy h THR 454 Ca 0.10 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.12 3hoy h THR 454 Cb 0.56 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3hoy h THR 454 CO 0.04 0.00 -0.56 0.77 0.37 0.00 0.00 175.52 176.14 3hoy h SER 455 N -0.63 0.72 -0.30 4.18 4.64 -1.56 -2.84 113.55 117.76 3hoy h SER 455 Ca -0.05 -0.39 0.07 0.00 -0.47 0.00 0.00 61.79 60.95 3hoy h SER 455 Cb 0.51 -0.21 -0.08 0.00 -0.31 0.00 0.00 62.40 62.32 3hoy h SER 455 CO 0.03 1.12 -0.23 1.23 -0.87 0.00 0.00 176.83 178.11 3hoy h GLY 456 N 0.96 -0.09 0.70 -0.77 0.00 -1.30 0.79 103.07 103.36 3hoy h GLY 456 Ca 0.01 0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.66 3hoy h GLY 456 CO 0.11 -0.20 -0.05 1.41 0.00 0.00 0.00 176.54 177.81 3hoy h LEU 457 N -0.21 -0.18 0.05 3.11 3.38 -1.49 -2.36 115.31 117.61 3hoy h LEU 457 Ca 0.16 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.20 3hoy h LEU 457 Cb 0.45 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3hoy h LEU 457 CO -0.42 -0.07 -0.37 0.11 0.09 0.00 0.00 178.44 177.77 3hoy h LYS 458 N -0.04 -0.54 -0.94 1.13 1.57 -0.83 -1.82 116.57 115.09 3hoy h LYS 458 Ca 0.07 0.04 0.27 0.00 -1.87 0.00 0.00 60.65 59.15 3hoy h LYS 458 Cb 0.14 0.12 -0.14 0.00 0.08 0.00 0.00 32.23 32.43 3hoy h LYS 458 CO -0.15 -0.36 0.40 -0.92 -0.57 0.00 0.00 179.45 177.86 3hoy h TYR 459 N -0.56 0.64 0.00 -1.35 3.20 0.77 0.14 116.97 119.81 3hoy h TYR 459 Ca 0.04 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3hoy h TYR 459 Cb 0.62 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3hoy h TYR 459 CO -0.36 -0.17 0.00 0.00 -1.64 0.00 0.00 178.16 175.98 3hoy n ALA 460 N -2.50 -0.25 0.05 1.82 0.00 -0.71 -1.74 120.51 117.17 3hoy n ALA 460 Ca 0.26 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.74 3hoy n ALA 460 Cb 0.81 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.45 3hoy n ALA 460 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hoy n LEU 461 N -1.27 0.18 0.01 0.00 4.32 -1.05 0.57 117.00 119.75 3hoy n LEU 461 Ca 0.00 0.58 -0.06 0.00 -0.02 0.00 0.00 56.01 56.51 3hoy n LEU 461 Cb 0.00 -0.61 -0.05 0.00 -1.62 0.00 0.00 43.42 41.15 3hoy n LEU 461 CO 0.00 -0.65 0.19 0.00 -1.22 0.00 0.00 177.39 175.71 3hoy h ALA 462 N 2.00 -0.13 0.07 -1.18 0.00 -0.63 -3.39 119.26 115.99 3hoy h ALA 462 Ca 0.00 -0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 3hoy h ALA 462 Cb 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hoy h ALA 462 CO 0.00 -0.15 -1.65 1.79 0.00 0.00 0.00 179.25 179.25 3hoy h THR 463 N -1.00 0.98 0.00 0.00 1.35 -0.89 -3.48 112.91 109.87 3hoy h THR 463 Ca -0.01 -2.71 0.00 0.00 -0.55 0.00 0.00 66.41 63.13 3hoy h THR 463 Cb 0.35 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 3hoy h THR 463 CO 0.02 0.74 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 3hoy n GLY 464 N 1.68 0.75 3.11 5.82 0.00 0.19 -4.86 105.19 111.88 3hoy n GLY 464 Ca -0.19 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 3hoy n GLY 464 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hoy s ASN 465 N -2.40 5.35 0.00 1.61 0.02 -1.23 0.11 114.94 118.40 3hoy s ASN 465 Ca 0.00 -2.83 0.00 0.00 -1.02 0.00 0.00 52.86 49.01 3hoy s ASN 465 Cb 0.00 -1.88 0.00 0.00 0.02 0.00 0.00 41.25 39.39 3hoy s ASN 465 CO 0.00 -0.39 0.27 0.79 0.02 0.00 0.00 177.10 177.79 3hoy n TRP 466 N 3.53 0.00 0.00 2.20 5.03 -1.26 -4.58 117.44 122.36 3hoy n TRP 466 Ca 0.08 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.61 3hoy n TRP 466 Cb 0.38 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.66 3hoy n TRP 466 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3hoy n GLY 467 N -0.40 0.99 0.00 6.99 0.00 -1.26 -4.84 105.19 106.67 3hoy n GLY 467 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hoy n GLY 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hoy n ALA 477 N 0.00 0.00 0.00 4.61 0.00 -1.02 -5.15 120.51 118.95 3hoy n ALA 477 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hoy n ALA 477 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hoy n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hoy n GLY 478 N 0.00 -0.38 3.85 0.00 0.00 0.30 -4.94 105.19 104.02 3hoy n GLY 478 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3hoy n GLY 478 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hoy s VAL 479 N 0.00 4.68 -0.17 1.61 1.01 0.37 -4.73 120.40 123.17 3hoy s VAL 479 Ca 0.00 0.92 -0.00 0.00 0.00 0.00 0.00 61.98 62.90 3hoy s VAL 479 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3hoy s VAL 479 CO 0.00 -0.22 0.01 -0.24 0.00 0.00 0.00 175.10 174.64 3hoy n SER 480 N -0.47 -5.19 -2.15 3.32 2.88 -1.18 -3.78 113.62 107.05 3hoy n SER 480 Ca 0.03 0.82 -0.01 0.00 -1.33 0.00 0.00 58.87 58.39 3hoy n SER 480 Cb 0.53 -3.49 0.00 0.00 -0.75 0.00 0.00 64.21 60.50 3hoy n SER 480 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hoy n GLN 481 N 0.44 1.43 -3.24 -1.46 6.02 -0.22 -4.20 117.38 116.15 3hoy n GLN 481 Ca -0.02 -0.18 -0.40 0.00 -0.01 0.00 0.00 57.00 56.40 3hoy n GLN 481 Cb 0.02 0.02 -0.07 0.00 1.02 0.00 0.00 30.24 31.23 3hoy n GLN 481 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hoy s VAL 482 N -0.08 5.09 0.15 5.09 1.01 -1.26 0.06 120.40 130.46 3hoy s VAL 482 Ca 0.02 0.92 -0.34 0.00 0.00 0.00 0.00 61.98 62.58 3hoy s VAL 482 Cb -0.00 -3.84 -0.16 0.00 0.00 0.00 0.00 36.38 32.38 3hoy s VAL 482 CO 0.01 0.13 1.21 -0.11 0.00 0.00 0.00 175.10 176.34 3hoy n LEU 483 N 5.15 1.57 -4.77 3.92 7.94 0.24 -4.84 117.00 126.21 3hoy n LEU 483 Ca -0.04 1.14 -0.38 0.00 -1.11 0.00 0.00 56.01 55.62 3hoy n LEU 483 Cb 0.50 -1.21 -0.02 0.00 0.53 0.00 0.00 43.42 43.21 3hoy n LEU 483 CO 0.41 -1.23 0.80 0.21 -1.11 0.00 0.00 177.39 176.48 3hoy s ASN 484 N 0.12 6.55 -0.23 1.96 2.47 -1.26 -4.92 114.94 119.63 3hoy s ASN 484 Ca 0.76 2.24 0.19 0.00 0.42 0.00 0.00 52.86 56.47 3hoy s ASN 484 Cb -0.87 -2.60 0.43 0.00 -1.45 0.00 0.00 41.25 36.76 3hoy s ASN 484 CO 0.51 -0.65 1.23 0.54 -3.72 0.00 0.00 177.10 175.02 3hoy n ARG 485 N -0.03 1.28 -0.03 0.43 3.00 -1.26 -4.17 116.66 115.88 3hoy n ARG 485 Ca 0.05 -2.48 -0.12 0.00 -0.01 0.00 0.00 57.85 55.29 3hoy n ARG 485 Cb 0.48 -0.67 -0.10 0.00 0.00 0.00 0.00 32.46 32.16 3hoy n ARG 485 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 3hoy h TYR 486 N 1.76 -0.04 -4.22 -1.55 0.99 -1.93 -3.46 116.97 108.52 3hoy h TYR 486 Ca -0.27 -0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.34 3hoy h TYR 486 Cb 1.37 0.01 -0.15 0.00 1.00 0.00 0.00 36.73 38.96 3hoy h TYR 486 CO 0.25 0.66 -0.65 0.99 -0.00 0.00 0.00 178.16 179.40 3hoy s THR 487 N -2.89 0.21 0.06 -2.88 2.01 -1.26 -4.56 115.64 106.32 3hoy s THR 487 Ca -0.16 -1.77 -0.17 0.00 0.31 0.00 0.00 61.69 59.90 3hoy s THR 487 Cb -0.01 -1.54 -0.07 0.00 0.01 0.00 0.00 72.50 70.89 3hoy s THR 487 CO 0.60 -0.93 1.27 0.22 -0.69 0.00 0.00 174.62 175.09 3hoy h TYR 488 N 3.10 -0.79 -0.98 4.92 3.20 -1.77 -1.45 116.97 123.20 3hoy h TYR 488 Ca -0.34 0.03 0.24 0.00 3.14 0.00 0.00 58.73 61.79 3hoy h TYR 488 Cb 1.15 0.34 -0.08 0.00 1.54 0.00 0.00 36.73 39.69 3hoy h TYR 488 CO 0.52 -0.28 0.64 0.66 -1.64 0.00 0.00 178.16 178.06 3hoy h SER 489 N -0.33 0.40 -0.44 -2.11 4.64 -1.90 0.18 113.55 113.99 3hoy h SER 489 Ca 0.01 0.06 0.07 0.00 -0.47 0.00 0.00 61.79 61.46 3hoy h SER 489 Cb 0.35 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.37 3hoy h SER 489 CO -0.19 0.12 0.08 -1.28 -0.87 0.00 0.00 176.83 174.70 3hoy h SER 490 N 0.37 -0.00 -0.51 4.97 0.87 -1.56 1.00 113.55 118.69 3hoy h SER 490 Ca 0.53 0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 61.09 3hoy h SER 490 Cb 1.38 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.43 3hoy h SER 490 CO -0.22 0.03 0.03 0.74 -0.53 0.00 0.00 176.83 176.88 3hoy h THR 491 N 0.22 1.26 0.51 2.23 2.02 -0.23 -1.88 112.91 117.03 3hoy h THR 491 Ca 0.22 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 3hoy h THR 491 Cb 0.28 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3hoy h THR 491 CO -0.29 0.37 -0.24 -0.07 0.37 0.00 0.00 175.52 175.65 3hoy h LEU 492 N 0.75 -0.58 -2.11 2.58 3.38 -0.96 -2.39 115.31 115.97 3hoy h LEU 492 Ca 0.15 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.21 3hoy h LEU 492 Cb 0.48 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3hoy h LEU 492 CO 0.02 -0.40 0.26 -1.28 0.09 0.00 0.00 178.44 177.13 3hoy h SER 493 N -0.70 0.00 1.20 -0.43 0.87 -0.75 0.66 113.55 114.41 3hoy h SER 493 Ca -0.07 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.39 3hoy h SER 493 Cb 0.53 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3hoy h SER 493 CO 0.11 0.00 -0.47 -0.74 -0.53 0.00 0.00 176.83 175.21 3hoy h HIS 494 N 0.00 0.00 -0.01 2.24 -0.00 -0.85 -3.10 115.15 113.43 3hoy h HIS 494 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 3hoy h HIS 494 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.07 3hoy h HIS 494 CO 0.00 0.47 -0.10 1.28 -0.00 0.00 0.00 177.93 179.57 3hoy n LEU 495 N -3.35 0.79 -0.53 0.26 4.77 0.21 -3.36 117.00 115.79 3hoy n LEU 495 Ca 0.01 -0.18 0.07 0.00 -0.03 0.00 0.00 56.01 55.88 3hoy n LEU 495 Cb 0.65 -0.10 0.19 0.00 -2.33 0.00 0.00 43.42 41.82 3hoy n LEU 495 CO 0.39 0.14 0.58 0.54 -1.33 0.00 0.00 177.39 177.71 3hoy n ARG 496 N -0.62 1.80 -3.10 3.23 1.74 -1.12 -4.86 116.66 113.74 3hoy n ARG 496 Ca 0.16 -2.87 -0.36 0.00 -0.77 0.00 0.00 57.85 54.01 3hoy n ARG 496 Cb 0.29 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.02 3hoy n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3hoy s ARG 497 N -2.99 4.28 0.07 5.56 3.52 -1.21 -1.81 118.95 126.36 3hoy s ARG 497 Ca 0.37 0.89 0.10 0.00 -0.13 0.00 0.00 55.73 56.96 3hoy s ARG 497 Cb 0.33 -2.93 -0.03 0.00 -1.56 0.00 0.00 34.95 30.76 3hoy s ARG 497 CO 0.02 0.42 -0.26 0.99 -0.81 0.00 0.00 175.30 175.66 3hoy s THR 498 N -1.47 2.19 0.31 4.11 2.01 -0.12 -2.37 115.64 120.30 3hoy s THR 498 Ca 0.42 -1.51 0.06 0.00 0.31 0.00 0.00 61.69 60.97 3hoy s THR 498 Cb -0.17 -1.89 -0.06 0.00 0.01 0.00 0.00 72.50 70.38 3hoy s THR 498 CO 0.21 0.28 -0.02 0.21 -0.69 0.00 0.00 174.62 174.61 3hoy s ASN 499 N -1.51 2.87 -0.30 3.53 2.47 0.15 -2.80 114.94 119.34 3hoy s ASN 499 Ca 0.13 -1.27 -0.07 0.00 0.42 0.00 0.00 52.86 52.07 3hoy s ASN 499 Cb -0.10 -0.19 0.16 0.00 -1.45 0.00 0.00 41.25 39.67 3hoy s ASN 499 CO 0.03 -0.42 0.66 -0.89 -3.72 0.00 0.00 177.10 172.76 3hoy s THR 500 N -3.02 -0.96 0.85 -5.21 2.01 -1.17 -0.89 115.64 107.25 3hoy s THR 500 Ca 0.32 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.20 3hoy s THR 500 Cb 0.06 -1.00 0.10 0.00 0.01 0.00 0.00 72.50 71.67 3hoy s THR 500 CO 0.14 0.00 1.12 -2.84 -0.69 0.00 0.00 174.62 172.35 3hoy s PRO 501 N 2.87 1.66 0.00 4.92 0.02 -1.26 -4.90 135.00 138.30 3hoy s PRO 501 Ca 0.04 0.46 0.00 0.00 0.02 0.00 0.00 61.00 61.52 3hoy s PRO 501 Cb -0.13 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.51 3hoy s PRO 501 CO -0.20 -1.87 0.00 0.44 -0.33 0.00 0.00 177.00 175.04 3hoy n ILE 502 N -3.57 0.00 -2.95 2.83 -0.00 -1.26 -5.07 119.36 109.34 3hoy n ILE 502 Ca 0.07 0.00 -0.27 0.00 -0.00 0.00 0.00 62.75 62.55 3hoy n ILE 502 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 40.18 3hoy n ILE 502 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3hoy n GLY 503 N 3.77 5.55 7.00 3.28 0.00 -1.26 -5.07 105.19 118.46 3hoy n GLY 503 Ca 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 46.02 43.27 3hoy n GLY 503 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hoy n ARG 504 N -0.23 0.00 0.00 1.61 3.00 -1.26 -3.86 116.66 115.91 3hoy n ARG 504 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.16 3hoy n ARG 504 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.86 3hoy n ARG 504 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3hoy n ASP 505 N -3.38 0.00 -0.27 6.15 5.75 -1.26 -4.49 116.55 119.06 3hoy n ASP 505 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3hoy n ASP 505 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3hoy n ASP 505 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hoy n GLY 506 N 0.00 0.00 2.09 6.12 0.00 -1.25 -4.59 105.19 107.56 3hoy n GLY 506 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3hoy n GLY 506 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hoy n LYS 507 N -0.11 2.14 0.24 1.61 5.02 -1.26 -4.56 118.16 121.24 3hoy n LYS 507 Ca 0.00 -2.66 0.09 0.00 -2.02 0.00 0.00 58.31 53.73 3hoy n LYS 507 Cb 0.00 -2.04 0.60 0.00 -0.02 0.00 0.00 35.03 33.57 3hoy n LYS 507 CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 3hoy h LEU 508 N 1.14 0.00 0.00 -0.35 8.10 -1.95 -3.48 115.31 118.77 3hoy h LEU 508 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.55 3hoy h LEU 508 Cb 2.42 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.64 3hoy h LEU 508 CO 1.02 0.18 0.00 0.00 -4.11 0.00 0.00 178.44 175.53 3hoy n ALA 509 N -2.35 0.00 -0.17 0.17 0.00 -1.26 -4.90 120.51 112.00 3hoy n ALA 509 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 3hoy n ALA 509 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3hoy n ALA 509 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3hoy h LYS 510 N 2.26 0.91 0.00 0.00 5.09 -1.94 -3.11 116.57 119.77 3hoy h LYS 510 Ca 0.00 -0.32 0.00 0.00 0.09 0.00 0.00 60.65 60.42 3hoy h LYS 510 Cb 0.01 -0.06 0.00 0.00 0.10 0.00 0.00 32.23 32.28 3hoy h LYS 510 CO 0.00 0.97 -0.26 -1.35 -2.09 0.00 0.00 179.45 176.73 3hoy h PRO 511 N 0.76 0.00 -0.99 0.07 0.11 -1.97 -3.37 132.00 126.61 3hoy h PRO 511 Ca 0.13 0.00 0.31 0.00 0.11 0.00 0.00 66.00 66.55 3hoy h PRO 511 Cb 0.61 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.66 3hoy h PRO 511 CO 0.04 0.00 0.69 0.54 -0.21 0.00 0.00 178.00 179.06 3hoy n ARG 512 N -4.69 -0.01 -1.82 1.05 1.74 -1.26 -4.52 116.66 107.16 3hoy n ARG 512 Ca -0.04 0.67 -0.38 0.00 -0.77 0.00 0.00 57.85 57.34 3hoy n ARG 512 Cb 0.13 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.17 3hoy n ARG 512 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3hoy s GLN 513 N -4.29 3.13 -0.55 5.56 2.00 -1.17 -4.42 119.66 119.91 3hoy s GLN 513 Ca -0.04 2.18 -0.28 0.00 -2.00 0.00 0.00 55.36 55.22 3hoy s GLN 513 Cb 0.17 -2.22 0.01 0.00 0.80 0.00 0.00 33.01 31.76 3hoy s GLN 513 CO 0.50 -1.18 1.48 -1.17 -0.50 0.00 0.00 175.29 174.42 3hoy s LEU 514 N -3.58 3.40 0.56 3.68 2.96 -1.26 -4.98 118.68 119.45 3hoy s LEU 514 Ca 0.72 0.35 -0.16 0.00 -0.22 0.00 0.00 54.13 54.82 3hoy s LEU 514 Cb -0.39 -3.03 -0.05 0.00 0.50 0.00 0.00 46.19 43.22 3hoy s LEU 514 CO 0.46 -1.77 1.02 -2.28 -1.32 0.00 0.00 176.35 172.46 3hoy s HIS 515 N 6.40 3.22 0.08 5.38 5.65 -1.26 -4.98 115.29 129.78 3hoy s HIS 515 Ca 0.55 1.48 -0.32 0.00 0.25 0.00 0.00 55.06 57.03 3hoy s HIS 515 Cb -0.12 -2.90 -0.16 0.00 -1.18 0.00 0.00 32.58 28.22 3hoy s HIS 515 CO 0.25 -0.77 1.62 -0.91 -0.65 0.00 0.00 174.74 174.29 3hoy h ASN 516 N 0.60 -0.83 0.00 9.88 2.35 -1.94 -2.02 115.58 123.62 3hoy h ASN 516 Ca -0.47 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3hoy h ASN 516 Cb 1.20 0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.82 3hoy h ASN 516 CO 0.59 -0.52 0.41 0.71 -1.65 0.00 0.00 177.43 176.98 3hoy h THR 517 N -0.82 0.00 0.00 2.81 1.35 -1.94 1.00 112.91 115.31 3hoy h THR 517 Ca -0.06 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.78 3hoy h THR 517 Cb 0.67 0.56 -0.00 0.00 -1.73 0.00 0.00 68.15 67.65 3hoy h THR 517 CO 0.06 0.00 -0.10 0.45 -0.25 0.00 0.00 175.52 175.68 3hoy h HIS 518 N 0.00 0.00 -1.71 4.73 3.86 -1.73 -3.44 115.15 116.86 3hoy h HIS 518 Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 3hoy h HIS 518 Cb 0.83 0.00 0.08 0.00 1.06 0.00 0.00 27.41 29.38 3hoy h HIS 518 CO 0.00 0.10 0.08 1.87 0.86 0.00 0.00 177.93 180.83 3hoy n TRP 519 N -3.66 0.87 0.00 2.45 -0.00 0.34 -1.53 117.44 115.92 3hoy n TRP 519 Ca -0.02 0.79 0.00 0.00 -0.00 0.00 0.00 57.50 58.27 3hoy n TRP 519 Cb 0.21 -2.19 0.00 0.00 -0.00 0.00 0.00 31.31 29.33 3hoy n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3hoy n GLY 520 N 1.84 2.13 0.11 5.87 0.00 -1.26 -4.66 105.19 109.22 3hoy n GLY 520 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3hoy n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hoy n LEU 521 N 0.00 1.05 -4.36 0.99 4.77 -0.58 -4.52 117.00 114.35 3hoy n LEU 521 Ca 0.00 -0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.78 3hoy n LEU 521 Cb 0.00 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3hoy n LEU 521 CO 0.00 0.64 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.56 3hoy s VAL 522 N -2.51 1.81 -0.04 4.08 1.01 -0.76 -1.01 120.40 122.98 3hoy s VAL 522 Ca -0.18 -2.21 -0.25 0.00 0.00 0.00 0.00 61.98 59.34 3hoy s VAL 522 Cb 0.07 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3hoy s VAL 522 CO 0.76 -0.56 0.77 0.00 0.00 0.00 0.00 175.10 176.07 3hoy n PRO 524 N 3.69 0.20 -0.05 0.00 -0.04 -1.26 -4.10 135.00 133.44 3hoy n PRO 524 Ca 0.00 0.28 -0.06 0.00 -0.04 0.00 0.00 63.50 63.68 3hoy n PRO 524 Cb 0.51 -1.79 -0.06 0.00 -0.04 0.00 0.00 33.50 32.12 3hoy n PRO 524 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hoy n ALA 525 N -1.75 1.77 -2.17 0.55 0.00 -1.26 -4.89 120.51 112.76 3hoy n ALA 525 Ca 0.04 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.53 3hoy n ALA 525 Cb 0.34 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3hoy n ALA 525 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hoy n GLU 526 N -2.62 3.17 -4.38 0.00 2.13 -1.26 -4.09 120.64 113.59 3hoy n GLU 526 Ca -0.18 -3.10 -0.20 0.00 0.66 0.00 0.00 57.16 54.35 3hoy n GLU 526 Cb 0.75 -3.21 -0.14 0.00 0.27 0.00 0.00 31.44 29.11 3hoy n GLU 526 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 3hoy s THR 527 N 2.51 1.00 0.85 6.31 -1.32 -1.26 -4.37 115.64 119.35 3hoy s THR 527 Ca 0.46 -0.83 -0.13 0.00 -1.21 0.00 0.00 61.69 59.98 3hoy s THR 527 Cb 0.09 -0.89 0.09 0.00 -1.51 0.00 0.00 72.50 70.28 3hoy s THR 527 CO -0.02 0.06 1.05 -0.81 -2.21 0.00 0.00 174.62 172.69 3hoy n PRO 528 N 2.17 -0.03 -3.38 7.08 -0.04 -1.26 -4.86 135.00 134.69 3hoy n PRO 528 Ca -0.17 0.07 -0.32 0.00 -0.04 0.00 0.00 63.50 63.04 3hoy n PRO 528 Cb 0.55 -2.32 -0.05 0.00 -0.04 0.00 0.00 33.50 31.64 3hoy n PRO 528 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3hoy s GLU 529 N -4.10 3.80 0.68 0.54 2.02 -1.26 -4.06 118.70 116.32 3hoy s GLU 529 Ca 0.69 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.96 3hoy s GLU 529 Cb -0.27 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.33 3hoy s GLU 529 CO 0.55 0.29 0.00 0.41 0.02 0.00 0.00 175.26 176.53 3hoy n GLY 530 N -0.25 -0.70 4.96 -1.39 0.00 -1.26 -4.51 105.19 102.05 3hoy n GLY 530 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3hoy n GLY 530 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hoy n GLN 531 N -1.65 0.00 -1.00 1.61 10.64 -1.26 -0.03 117.38 125.69 3hoy n GLN 531 Ca 0.00 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.98 3hoy n GLN 531 Cb 0.15 0.00 0.03 0.00 -0.86 0.00 0.00 30.24 29.56 3hoy n GLN 531 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3hoy n ALA 532 N 4.86 5.38 -2.03 2.61 0.00 -1.26 -4.96 120.51 125.10 3hoy n ALA 532 Ca 0.00 -1.98 -0.41 0.00 0.00 0.00 0.00 53.44 51.05 3hoy n ALA 532 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 3hoy n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hoy n GLY 534 N 2.17 3.00 0.12 0.00 0.00 -1.26 -4.71 105.19 104.50 3hoy n GLY 534 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 3hoy n GLY 534 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hoy h LEU 535 N 0.00 0.00 -8.25 0.99 3.38 -1.81 -3.39 115.31 106.22 3hoy h LEU 535 Ca 0.00 -0.04 -0.69 0.00 0.09 0.00 0.00 57.88 57.24 3hoy h LEU 535 Cb 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.47 3hoy h LEU 535 CO 0.00 0.02 -0.61 -0.69 0.09 0.00 0.00 178.44 177.25 3hoy s VAL 536 N -3.32 3.85 0.42 1.22 1.01 -1.21 -3.02 120.40 119.37 3hoy s VAL 536 Ca 0.01 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.07 3hoy s VAL 536 Cb 0.10 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 3hoy s VAL 536 CO 0.77 -0.11 0.38 -0.54 0.00 0.00 0.00 175.10 175.59 3hoy s LYS 537 N 1.43 2.50 -0.08 2.72 1.02 -1.12 -4.40 119.74 121.82 3hoy s LYS 537 Ca -0.00 -1.58 -0.01 0.00 0.02 0.00 0.00 55.97 54.40 3hoy s LYS 537 Cb -0.19 -2.35 0.03 0.00 -0.52 0.00 0.00 37.83 34.80 3hoy s LYS 537 CO 0.03 -0.22 -0.03 -0.80 -0.92 0.00 0.00 175.35 173.41 3hoy s ASN 538 N -4.14 1.62 0.28 2.83 0.01 -1.26 -0.95 114.94 113.34 3hoy s ASN 538 Ca 0.47 -0.14 -0.30 0.00 -0.71 0.00 0.00 52.86 52.18 3hoy s ASN 538 Cb -0.03 -0.54 -0.13 0.00 0.41 0.00 0.00 41.25 40.97 3hoy s ASN 538 CO 0.27 -0.15 1.38 0.18 -1.51 0.00 0.00 177.10 177.27 3hoy n LEU 539 N 4.90 3.40 -4.57 0.60 4.77 -0.75 -1.24 117.00 124.11 3hoy n LEU 539 Ca -0.11 1.17 -0.29 0.00 -0.03 0.00 0.00 56.01 56.74 3hoy n LEU 539 Cb 0.50 -1.47 0.23 0.00 -2.33 0.00 0.00 43.42 40.36 3hoy n LEU 539 CO 0.14 -0.43 0.59 -0.44 -1.33 0.00 0.00 177.39 175.92 3hoy s SER 540 N 0.07 1.15 0.07 -1.43 0.01 -0.18 -4.58 113.70 108.82 3hoy s SER 540 Ca 0.63 0.92 -0.36 0.00 1.31 0.00 0.00 55.95 58.45 3hoy s SER 540 Cb -0.60 -1.38 -0.19 0.00 0.21 0.00 0.00 66.02 64.06 3hoy s SER 540 CO 0.54 -4.01 1.58 -0.07 0.41 0.00 0.00 173.24 171.70 3hoy h LEU 541 N -2.50 -1.12 0.00 2.44 3.38 -1.06 -3.28 115.31 113.17 3hoy h LEU 541 Ca -0.50 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3hoy h LEU 541 Cb 1.32 0.32 0.00 0.00 0.09 0.00 0.00 40.66 42.39 3hoy h LEU 541 CO 0.43 -0.71 -0.10 0.24 0.09 0.00 0.00 178.44 178.38 3hoy h MET 542 N -1.15 0.00 -7.08 1.13 2.86 -1.87 -3.47 114.93 105.34 3hoy h MET 542 Ca -0.10 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 56.99 3hoy h MET 542 Cb 0.91 0.00 0.13 0.00 0.06 0.00 0.00 31.60 32.71 3hoy h MET 542 CO 0.13 0.00 0.52 -1.54 1.06 0.00 0.00 176.91 177.08 3hoy s SER 543 N -5.31 5.05 0.21 1.22 1.04 -1.24 -4.53 113.70 110.14 3hoy s SER 543 Ca 0.08 2.56 -0.00 0.00 0.48 0.00 0.00 55.95 59.07 3hoy s SER 543 Cb 0.09 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 3hoy s SER 543 CO 0.65 -1.70 0.14 0.00 0.98 0.00 0.00 173.24 173.31 3hoy s ILE 545 N -4.08 2.49 0.37 0.00 1.01 -1.26 -1.01 121.20 118.71 3hoy s ILE 545 Ca 0.39 -0.85 -0.26 0.00 0.00 0.00 0.00 60.65 59.93 3hoy s ILE 545 Cb 0.07 -2.02 -0.12 0.00 0.01 0.00 0.00 42.46 40.40 3hoy s ILE 545 CO 0.13 0.53 1.09 -1.54 0.00 0.00 0.00 174.94 175.16 3hoy n SER 546 N 3.83 1.69 -0.09 3.58 3.41 0.25 -4.84 113.62 121.45 3hoy n SER 546 Ca -0.19 1.12 -0.07 0.00 -0.26 0.00 0.00 58.87 59.47 3hoy n SER 546 Cb 0.52 -1.37 -0.16 0.00 -0.26 0.00 0.00 64.21 62.94 3hoy n SER 546 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3hoy n VAL 547 N -0.09 1.20 0.00 -3.33 3.14 -1.26 -1.36 118.33 116.62 3hoy n VAL 547 Ca 0.08 -0.81 0.00 0.00 -2.96 0.00 0.00 64.34 60.65 3hoy n VAL 547 Cb 0.37 -0.40 0.00 0.00 -1.06 0.00 0.00 33.84 32.74 3hoy n VAL 547 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hoy n GLY 548 N 1.68 1.96 1.34 7.55 0.00 -1.26 -4.62 105.19 111.85 3hoy n GLY 548 Ca -0.29 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 3hoy n GLY 548 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hoy n THR 549 N 0.02 0.00 -4.28 2.61 -1.04 -1.14 -4.95 114.28 105.50 3hoy n THR 549 Ca 0.00 -0.45 -0.33 0.00 -2.04 0.00 0.00 64.05 61.23 3hoy n THR 549 Cb 0.00 -1.50 -0.09 0.00 -1.82 0.00 0.00 70.33 66.92 3hoy n THR 549 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hoy s ASP 550 N -2.54 5.22 0.01 8.00 -1.08 -1.26 -4.84 116.67 120.19 3hoy s ASP 550 Ca 0.25 0.05 -0.21 0.00 -0.52 0.00 0.00 52.55 52.12 3hoy s ASP 550 Cb -0.01 -1.41 -0.18 0.00 -1.46 0.00 0.00 42.92 39.86 3hoy s ASP 550 CO 0.17 0.31 1.24 1.55 0.52 0.00 0.00 175.17 178.95 3hoy h PRO 551 N 4.53 0.32 0.00 4.34 0.13 -1.98 -3.40 132.00 135.94 3hoy h PRO 551 Ca -0.49 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 3hoy h PRO 551 Cb 1.18 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hoy h PRO 551 CO 0.57 0.83 0.00 -1.33 -0.23 0.00 0.00 178.00 177.84 3hoy n MET 552 N -4.50 0.00 0.31 0.86 2.81 -1.26 -0.13 117.12 115.22 3hoy n MET 552 Ca -0.08 0.68 0.05 0.00 -1.81 0.00 0.00 57.70 56.54 3hoy n MET 552 Cb 0.44 -1.04 0.25 0.00 -0.71 0.00 0.00 33.22 32.16 3hoy n MET 552 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3hoy h PRO 553 N 0.00 0.00 0.00 0.03 0.13 -1.98 1.51 132.00 131.69 3hoy h PRO 553 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 3hoy h PRO 553 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 3hoy h PRO 553 CO 0.00 0.00 -2.18 -0.89 -0.23 0.00 0.00 178.00 174.70 3hoy n ILE 554 N -2.54 1.05 -0.01 -3.56 5.41 0.82 -2.82 119.36 117.71 3hoy n ILE 554 Ca -0.01 -0.72 -0.11 0.00 1.00 0.00 0.00 62.75 62.92 3hoy n ILE 554 Cb 0.77 -0.44 -0.09 0.00 -0.71 0.00 0.00 39.64 39.17 3hoy n ILE 554 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3hoy h ILE 555 N 0.00 1.19 0.05 1.39 2.04 0.37 -1.06 117.51 121.50 3hoy h ILE 555 Ca -0.42 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 63.91 3hoy h ILE 555 Cb 1.93 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 40.10 3hoy h ILE 555 CO 0.02 0.35 -0.16 0.74 0.00 0.00 0.00 178.15 179.10 3hoy h THR 556 N -0.85 0.00 -0.85 -0.27 2.02 0.14 -2.17 112.91 110.92 3hoy h THR 556 Ca -0.01 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.39 3hoy h THR 556 Cb 0.63 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.90 3hoy h THR 556 CO 0.01 0.00 0.16 0.15 0.37 0.00 0.00 175.52 176.22 3hoy h PHE 557 N -0.24 0.22 0.02 3.16 -0.00 -1.64 -2.88 116.94 115.58 3hoy h PHE 557 Ca -0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.97 58.02 3hoy h PHE 557 Cb 0.24 0.04 -0.01 0.00 -0.00 0.00 0.00 35.95 36.22 3hoy h PHE 557 CO -0.31 -0.23 -0.13 -0.07 -0.00 0.00 0.00 178.31 177.57 3hoy h LEU 558 N 0.17 -0.38 -0.90 0.59 3.38 -0.56 -2.30 115.31 115.31 3hoy h LEU 558 Ca 0.52 0.04 0.25 0.00 0.09 0.00 0.00 57.88 58.78 3hoy h LEU 558 Cb 1.02 0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.77 3hoy h LEU 558 CO -0.68 -0.13 0.28 0.77 0.09 0.00 0.00 178.44 178.78 3hoy h SER 559 N -0.17 0.06 0.00 -0.43 4.64 -1.27 -0.40 113.55 115.99 3hoy h SER 559 Ca 0.00 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3hoy h SER 559 Cb 0.17 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3hoy h SER 559 CO -0.08 -0.16 0.00 -0.62 -0.87 0.00 0.00 176.83 175.11 3hoy n GLU 560 N -5.21 0.39 -0.08 4.77 1.02 -0.87 -2.29 120.64 118.38 3hoy n GLU 560 Ca 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 3hoy n GLU 560 Cb 0.73 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 3hoy n GLU 560 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3hoy n TRP 561 N 1.40 0.00 0.00 -0.32 7.02 -0.16 -4.99 117.44 120.39 3hoy n TRP 561 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3hoy n TRP 561 Cb 0.20 0.16 0.00 0.00 -2.42 0.00 0.00 31.31 29.24 3hoy n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hoy n GLY 562 N 0.00 0.42 3.57 6.99 0.00 -0.97 -4.91 105.19 110.30 3hoy n GLY 562 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hoy n GLY 562 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hoy s MET 563 N 0.00 3.22 -0.40 1.61 0.00 -1.12 -3.94 119.30 118.68 3hoy s MET 563 Ca 0.00 0.26 -0.25 0.00 0.00 0.00 0.00 55.69 55.70 3hoy s MET 563 Cb 0.00 -4.16 0.02 0.00 0.00 0.00 0.00 34.83 30.69 3hoy s MET 563 CO 0.00 -2.05 0.88 -1.21 0.00 0.00 0.00 175.02 172.64 3hoy s GLU 564 N 5.68 3.71 0.10 4.11 2.02 0.53 -4.58 118.70 130.26 3hoy s GLU 564 Ca 0.48 0.36 -0.34 0.00 0.02 0.00 0.00 54.97 55.49 3hoy s GLU 564 Cb -0.10 -3.85 -0.13 0.00 0.10 0.00 0.00 34.13 30.15 3hoy s GLU 564 CO 0.22 -1.01 1.65 -0.35 0.02 0.00 0.00 175.26 175.79 3hoy n PRO 565 N 6.79 2.13 -0.30 0.39 -0.04 -1.26 -1.90 135.00 140.81 3hoy n PRO 565 Ca 0.06 0.77 0.02 0.00 -0.04 0.00 0.00 63.50 64.30 3hoy n PRO 565 Cb 0.48 -2.56 0.07 0.00 -0.04 0.00 0.00 33.50 31.45 3hoy n PRO 565 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3hoy n LEU 566 N 4.20 -0.42 0.00 1.53 7.94 -1.26 -2.26 117.00 126.73 3hoy n LEU 566 Ca 0.18 1.39 0.00 0.00 -1.11 0.00 0.00 56.01 56.48 3hoy n LEU 566 Cb 0.29 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 43.87 3hoy n LEU 566 CO 0.66 -1.29 0.00 -0.62 -1.11 0.00 0.00 177.39 175.03 3hoy n GLU 567 N -5.24 0.00 -3.50 1.96 -0.58 -1.26 0.12 120.64 112.14 3hoy n GLU 567 Ca 0.10 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.56 3hoy n GLU 567 Cb 0.36 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.14 3hoy n GLU 567 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3hoy n ASP 568 N -2.43 3.80 -4.95 1.62 5.75 -0.96 -4.94 116.55 114.45 3hoy n ASP 568 Ca 0.00 -3.39 -0.23 0.00 -0.01 0.00 0.00 54.79 51.16 3hoy n ASP 568 Cb 0.00 -0.74 -0.03 0.00 -1.03 0.00 0.00 41.12 39.33 3hoy n ASP 568 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3hoy s TYR 569 N -2.26 3.45 -0.43 2.11 5.04 0.12 -4.93 117.35 120.45 3hoy s TYR 569 Ca 0.36 0.03 0.06 0.00 -2.44 0.00 0.00 57.07 55.08 3hoy s TYR 569 Cb 0.10 -1.60 0.17 0.00 0.35 0.00 0.00 41.96 40.98 3hoy s TYR 569 CO -0.04 0.47 0.54 0.14 -1.34 0.00 0.00 175.55 175.33 3hoy s VAL 570 N -1.89 -0.63 0.02 3.14 -7.23 -1.26 -5.08 120.40 107.47 3hoy s VAL 570 Ca 0.34 -0.91 -0.04 0.00 -1.81 0.00 0.00 61.98 59.56 3hoy s VAL 570 Cb -0.10 -0.36 -0.01 0.00 0.56 0.00 0.00 36.38 36.48 3hoy s VAL 570 CO 0.29 -0.33 0.24 -0.81 -0.31 0.00 0.00 175.10 174.17 3hoy n PRO 571 N 3.75 -0.06 -0.13 4.82 -0.04 -1.26 -0.37 135.00 141.71 3hoy n PRO 571 Ca 0.15 0.23 -0.10 0.00 -0.04 0.00 0.00 63.50 63.74 3hoy n PRO 571 Cb 0.52 -0.34 -0.02 0.00 -0.04 0.00 0.00 33.50 33.62 3hoy n PRO 571 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hoy h HIS 572 N 0.00 0.68 -0.29 0.54 3.86 -1.94 -2.19 115.15 115.81 3hoy h HIS 572 Ca 0.02 -0.10 0.08 0.00 -1.16 0.00 0.00 60.37 59.21 3hoy h HIS 572 Cb 0.05 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 3hoy h HIS 572 CO -0.17 0.69 0.23 0.37 0.86 0.00 0.00 177.93 179.91 3hoy h GLN 573 N 0.47 0.00 -2.41 2.45 4.15 -1.15 -3.16 115.11 115.45 3hoy h GLN 573 Ca 0.11 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.94 3hoy h GLN 573 Cb 0.40 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 27.69 3hoy h GLN 573 CO 0.01 0.00 -0.86 0.43 -1.93 0.00 0.00 178.83 176.49 3hoy n SER 574 N -4.31 1.17 0.24 -0.69 7.64 -0.68 -5.01 113.62 111.97 3hoy n SER 574 Ca 0.04 -2.82 -0.09 0.00 1.01 0.00 0.00 58.87 57.01 3hoy n SER 574 Cb 0.39 -0.64 -0.05 0.00 -1.01 0.00 0.00 64.21 62.90 3hoy n SER 574 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3hoy h PRO 575 N 4.94 -0.60 0.00 1.43 0.13 -1.39 -3.10 132.00 133.41 3hoy h PRO 575 Ca 0.18 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3hoy h PRO 575 Cb 0.83 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3hoy h PRO 575 CO 0.55 -0.40 0.00 -0.25 -0.23 0.00 0.00 178.00 177.67 3hoy n ASP 576 N -3.82 0.00 -4.48 1.44 9.92 -1.26 -4.87 116.55 113.48 3hoy n ASP 576 Ca -0.08 -0.84 -0.55 0.00 -0.53 0.00 0.00 54.79 52.79 3hoy n ASP 576 Cb 0.24 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.66 3hoy n ASP 576 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hoy n ALA 577 N -0.57 -3.17 -3.39 2.24 0.00 -1.17 -4.87 120.51 109.58 3hoy n ALA 577 Ca 0.02 0.55 -0.35 0.00 0.00 0.00 0.00 53.44 53.65 3hoy n ALA 577 Cb 0.01 -1.75 -0.05 0.00 0.00 0.00 0.00 19.45 17.66 3hoy n ALA 577 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hoy n THR 578 N 1.13 3.49 -1.59 0.00 -1.04 -1.21 -4.93 114.28 110.13 3hoy n THR 578 Ca 0.19 -5.39 -0.60 0.00 -2.04 0.00 0.00 64.05 56.21 3hoy n THR 578 Cb 0.14 -2.20 -0.08 0.00 -1.82 0.00 0.00 70.33 66.36 3hoy n THR 578 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 3hoy n ARG 579 N 1.55 0.21 -3.62 -2.82 1.85 -1.13 -3.89 116.66 108.81 3hoy n ARG 579 Ca 0.26 0.08 -0.37 0.00 -1.00 0.00 0.00 57.85 56.81 3hoy n ARG 579 Cb 0.37 -1.60 -0.10 0.00 -1.05 0.00 0.00 32.46 30.08 3hoy n ARG 579 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3hoy s VAL 580 N 1.08 5.33 -0.12 8.89 1.01 -0.32 -2.07 120.40 134.19 3hoy s VAL 580 Ca 0.94 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 63.11 3hoy s VAL 580 Cb -1.28 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 31.54 3hoy s VAL 580 CO 0.63 0.31 0.01 -0.36 0.00 0.00 0.00 175.10 175.69 3hoy s PHE 581 N 1.26 3.17 -0.22 5.22 0.40 0.81 -1.70 117.98 126.92 3hoy s PHE 581 Ca 0.08 0.08 -0.02 0.00 -0.60 0.00 0.00 56.93 56.47 3hoy s PHE 581 Cb -0.14 -1.89 0.07 0.00 0.51 0.00 0.00 43.02 41.56 3hoy s PHE 581 CO 0.06 0.31 0.04 0.08 0.70 0.00 0.00 175.22 176.42 3hoy s VAL 582 N -0.37 0.61 -1.20 -0.44 1.01 0.14 0.65 120.40 120.81 3hoy s VAL 582 Ca 0.07 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 3hoy s VAL 582 Cb -0.12 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.10 3hoy s VAL 582 CO 0.02 -0.29 0.88 0.59 0.00 0.00 0.00 175.10 176.30 3hoy n ASN 583 N 5.00 -5.67 -1.14 3.32 4.13 0.16 -2.59 115.26 118.47 3hoy n ASN 583 Ca -0.08 -0.40 -0.10 0.00 1.68 0.00 0.00 54.58 55.68 3hoy n ASN 583 Cb 0.46 -4.34 -0.00 0.00 -1.54 0.00 0.00 39.78 34.36 3hoy n ASN 583 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hoy n GLY 584 N -1.69 -0.04 2.93 7.41 0.00 -1.26 -4.95 105.19 107.58 3hoy n GLY 584 Ca -0.02 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 3hoy n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hoy s VAL 585 N -2.50 0.63 -0.50 1.61 1.01 -1.07 -4.85 120.40 114.72 3hoy s VAL 585 Ca 0.00 -0.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.52 3hoy s VAL 585 Cb -0.00 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.79 3hoy s VAL 585 CO 0.01 0.24 1.01 0.86 0.00 0.00 0.00 175.10 177.21 3hoy s TRP 586 N 0.71 2.83 -0.65 5.22 -0.11 -1.26 -0.68 118.94 125.00 3hoy s TRP 586 Ca -0.10 0.36 -0.02 0.00 1.22 0.00 0.00 56.10 57.57 3hoy s TRP 586 Cb -0.13 -4.16 0.46 0.00 -1.50 0.00 0.00 33.47 28.14 3hoy s TRP 586 CO 0.01 -1.25 2.03 0.72 -4.62 0.00 0.00 176.95 173.83 3hoy n HIS 587 N 7.54 3.20 -3.17 5.86 8.25 -0.69 -4.81 115.22 131.40 3hoy n HIS 587 Ca 0.07 -2.95 0.00 0.00 -0.26 0.00 0.00 57.72 54.58 3hoy n HIS 587 Cb 0.48 -1.42 0.00 0.00 1.12 0.00 0.00 29.99 30.17 3hoy n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hoy n GLY 588 N -0.91 -1.96 3.64 -1.41 0.00 -1.26 -4.25 105.19 99.04 3hoy n GLY 588 Ca 0.62 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 3hoy n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hoy s VAL 589 N 0.00 2.84 0.01 1.61 1.01 -0.80 -1.18 120.40 123.89 3hoy s VAL 589 Ca 0.00 -1.94 0.03 0.00 0.00 0.00 0.00 61.98 60.07 3hoy s VAL 589 Cb 0.00 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 3hoy s VAL 589 CO 0.00 -0.24 -0.10 -2.28 0.00 0.00 0.00 175.10 172.48 3hoy s HIS 590 N -2.47 0.86 0.00 5.22 5.04 -1.25 -0.34 115.29 122.34 3hoy s HIS 590 Ca 0.34 -0.24 0.00 0.00 -1.54 0.00 0.00 55.06 53.62 3hoy s HIS 590 Cb -0.02 -0.53 0.00 0.00 0.04 0.00 0.00 32.58 32.07 3hoy s HIS 590 CO 0.20 -0.01 0.00 0.54 -2.34 0.00 0.00 174.74 173.13 3hoy n ARG 591 N 2.46 2.78 -1.36 2.88 5.12 -1.25 -3.33 116.66 123.95 3hoy n ARG 591 Ca -0.16 0.00 -0.52 0.00 -1.93 0.00 0.00 57.85 55.24 3hoy n ARG 591 Cb 0.56 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.73 3hoy n ARG 591 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3hoy n ASN 592 N 0.00 0.68 0.00 0.55 2.85 -1.26 -4.74 115.26 113.34 3hoy n ASN 592 Ca 0.00 0.46 -0.10 0.00 -0.11 0.00 0.00 54.58 54.83 3hoy n ASN 592 Cb 0.00 -0.94 -0.14 0.00 1.24 0.00 0.00 39.78 39.95 3hoy n ASN 592 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3hoy h PRO 593 N 10.48 0.04 -0.98 1.20 0.13 -1.96 -3.36 132.00 137.55 3hoy h PRO 593 Ca -0.09 -0.06 0.29 0.00 -0.87 0.00 0.00 66.00 65.26 3hoy h PRO 593 Cb 1.37 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 32.35 3hoy h PRO 593 CO 1.20 0.69 0.12 0.00 -0.23 0.00 0.00 178.00 179.77 3hoy h ALA 594 N 0.90 1.31 -0.04 -0.56 0.00 -1.98 0.84 119.26 119.72 3hoy h ALA 594 Ca -0.24 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hoy h ALA 594 Cb 1.97 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 20.29 3hoy h ALA 594 CO 0.10 -0.61 -0.01 0.00 0.00 0.00 0.00 179.25 178.72 3hoy h ARG 595 N 0.03 0.08 -0.15 0.00 2.47 -1.97 -1.56 114.38 113.28 3hoy h ARG 595 Ca 0.63 -0.03 0.05 0.00 -1.26 0.00 0.00 59.98 59.36 3hoy h ARG 595 Cb 1.36 -0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.62 3hoy h ARG 595 CO -0.88 0.43 -0.20 1.25 0.56 0.00 0.00 179.97 181.13 3hoy h LEU 596 N -0.28 -0.63 -0.06 3.04 5.85 0.13 0.37 115.31 123.75 3hoy h LEU 596 Ca 0.01 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3hoy h LEU 596 Cb 0.40 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 3hoy h LEU 596 CO 0.00 -0.25 -0.45 -0.03 -0.34 0.00 0.00 178.44 177.37 3hoy h MET 597 N -0.24 -0.51 -0.90 1.25 4.05 0.35 0.24 114.93 119.17 3hoy h MET 597 Ca 0.11 0.03 0.26 0.00 -0.28 0.00 0.00 59.70 59.82 3hoy h MET 597 Cb 0.40 0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.28 3hoy h MET 597 CO -0.30 -0.34 0.70 1.49 0.23 0.00 0.00 176.91 178.69 3hoy h GLU 598 N -0.53 0.00 0.03 0.39 4.57 -0.42 0.76 114.58 119.38 3hoy h GLU 598 Ca 0.02 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3hoy h GLU 598 Cb 0.59 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3hoy h GLU 598 CO -0.33 0.00 -0.01 1.15 -1.18 0.00 0.00 179.01 178.63 3hoy h THR 599 N 0.00 1.34 -0.32 0.32 2.02 0.29 -2.80 112.91 113.77 3hoy h THR 599 Ca 0.43 -1.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 3hoy h THR 599 Cb 1.82 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 70.37 3hoy h THR 599 CO -0.00 0.31 0.09 -0.07 0.37 0.00 0.00 175.52 176.21 3hoy h LEU 600 N -0.58 0.48 -1.17 2.58 3.38 0.73 0.18 115.31 120.91 3hoy h LEU 600 Ca -0.00 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 57.88 3hoy h LEU 600 Cb 0.54 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 3hoy h LEU 600 CO 0.01 0.57 0.60 0.03 0.09 0.00 0.00 178.44 179.73 3hoy h ARG 601 N 0.36 0.80 0.01 1.13 3.08 -1.06 -0.34 114.38 118.35 3hoy h ARG 601 Ca 0.10 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 59.91 3hoy h ARG 601 Cb 0.28 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3hoy h ARG 601 CO -0.00 0.53 -0.87 1.15 -1.07 0.00 0.00 179.97 179.70 3hoy h THR 602 N 0.82 1.56 -0.27 2.04 2.02 -1.14 -2.79 112.91 115.16 3hoy h THR 602 Ca 0.46 -2.80 -0.05 0.00 0.77 0.00 0.00 66.41 64.79 3hoy h THR 602 Cb 0.61 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 3hoy h THR 602 CO -0.23 0.81 -0.04 -0.07 0.37 0.00 0.00 175.52 176.36 3hoy h LEU 603 N 0.04 0.50 0.48 2.58 -0.00 0.87 -3.21 115.31 116.58 3hoy h LEU 603 Ca -0.03 -0.35 -0.02 0.00 -0.00 0.00 0.00 57.88 57.48 3hoy h LEU 603 Cb 1.52 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 42.05 3hoy h LEU 603 CO 0.12 0.73 -0.23 -0.09 -0.00 0.00 0.00 178.44 178.97 3hoy h ARG 604 N 0.26 -0.63 0.00 1.13 2.43 -1.19 -1.03 114.38 115.34 3hoy h ARG 604 Ca 0.07 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3hoy h ARG 604 Cb 0.50 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3hoy h ARG 604 CO 0.02 -0.42 0.03 0.54 -1.51 0.00 0.00 179.97 178.64 3hoy n ARG 605 N -4.22 0.00 -0.10 0.20 1.74 -1.05 0.17 116.66 113.39 3hoy n ARG 605 Ca -0.08 0.03 -0.19 0.00 -0.77 0.00 0.00 57.85 56.83 3hoy n ARG 605 Cb 0.26 -1.53 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 3hoy n ARG 605 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3hoy n LYS 606 N -0.77 0.45 0.00 5.56 4.81 -1.14 -1.43 118.16 125.64 3hoy n LYS 606 Ca 0.00 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 3hoy n LYS 606 Cb 0.03 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 33.82 3hoy n LYS 606 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hoy n GLY 607 N 1.70 -0.03 0.13 3.14 0.00 0.45 -4.73 105.19 105.85 3hoy n GLY 607 Ca -0.35 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 3hoy n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hoy h ASP 608 N 0.00 0.55 -3.59 1.61 3.32 -1.38 -3.41 116.42 113.51 3hoy h ASP 608 Ca 0.00 -0.77 -0.65 0.00 0.02 0.00 0.00 57.03 55.63 3hoy h ASP 608 Cb 0.00 -0.18 -0.23 0.00 0.22 0.00 0.00 39.33 39.15 3hoy h ASP 608 CO 0.00 1.65 -0.63 -0.63 -1.72 0.00 0.00 179.24 177.90 3hoy s ILE 609 N -2.60 4.23 0.17 0.35 1.01 -1.18 -4.95 121.20 118.23 3hoy s ILE 609 Ca -0.13 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.02 3hoy s ILE 609 Cb 0.06 -2.97 -0.17 0.00 0.01 0.00 0.00 42.46 39.39 3hoy s ILE 609 CO 0.86 0.36 0.71 -3.20 0.00 0.00 0.00 174.94 173.68 3hoy n ASN 610 N 4.79 -0.58 0.30 3.58 2.85 -1.26 -3.86 115.26 121.07 3hoy n ASN 610 Ca -0.16 1.14 0.16 0.00 -0.11 0.00 0.00 54.58 55.61 3hoy n ASN 610 Cb 0.51 -1.00 0.95 0.00 1.24 0.00 0.00 39.78 41.49 3hoy n ASN 610 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3hoy h PRO 611 N 1.63 0.00 -0.00 1.20 0.11 -1.91 -2.07 132.00 130.95 3hoy h PRO 611 Ca -0.34 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.64 3hoy h PRO 611 Cb 1.42 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.51 3hoy h PRO 611 CO 0.60 0.01 -0.61 1.49 -0.21 0.00 0.00 178.00 179.27 3hoy h GLU 612 N 0.00 0.00 -6.83 1.05 4.81 -1.92 -3.38 114.58 108.31 3hoy h GLU 612 Ca -0.00 -0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.72 3hoy h GLU 612 Cb 0.02 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.43 3hoy h GLU 612 CO 0.00 0.61 0.52 0.08 -0.73 0.00 0.00 179.01 179.49 3hoy s VAL 613 N -3.62 3.28 0.09 0.32 1.01 -0.78 -4.94 120.40 115.75 3hoy s VAL 613 Ca -0.01 1.29 0.06 0.00 0.00 0.00 0.00 61.98 63.32 3hoy s VAL 613 Cb 0.13 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3hoy s VAL 613 CO 0.76 0.31 -0.09 -0.94 0.00 0.00 0.00 175.10 175.14 3hoy s SER 614 N -0.77 4.45 -0.08 3.32 1.04 -0.05 -4.97 113.70 116.62 3hoy s SER 614 Ca 0.46 -0.34 -0.08 0.00 0.48 0.00 0.00 55.95 56.47 3hoy s SER 614 Cb -0.34 -0.89 0.02 0.00 0.10 0.00 0.00 66.02 64.91 3hoy s SER 614 CO 0.44 0.20 0.23 -0.04 0.98 0.00 0.00 173.24 175.05 3hoy s MET 615 N -2.07 0.28 -0.03 4.02 -1.94 -1.26 -0.02 119.30 118.28 3hoy s MET 615 Ca 0.21 0.31 -0.01 0.00 -1.71 0.00 0.00 55.69 54.48 3hoy s MET 615 Cb -0.11 0.13 0.03 0.00 2.01 0.00 0.00 34.83 36.89 3hoy s MET 615 CO 0.13 -0.03 0.06 0.42 -0.01 0.00 0.00 175.02 175.58 3hoy s ILE 616 N 0.09 -0.04 -0.30 2.53 1.09 -0.05 -4.81 121.20 119.71 3hoy s ILE 616 Ca -0.00 0.15 -0.09 0.00 -1.10 0.00 0.00 60.65 59.61 3hoy s ILE 616 Cb -0.02 -0.11 -0.01 0.00 -1.06 0.00 0.00 42.46 41.26 3hoy s ILE 616 CO 0.00 0.06 0.13 -0.60 -0.10 0.00 0.00 174.94 174.44 3hoy s ARG 617 N 0.83 3.37 -1.02 2.79 3.52 -1.26 -2.03 118.95 125.15 3hoy s ARG 617 Ca -0.07 -0.69 -0.06 0.00 -0.13 0.00 0.00 55.73 54.79 3hoy s ARG 617 Cb -0.09 -3.50 0.25 0.00 -1.56 0.00 0.00 34.95 30.05 3hoy s ARG 617 CO -0.03 -0.38 0.97 0.34 -0.81 0.00 0.00 175.30 175.40 3hoy s ASP 618 N 1.60 6.75 0.21 -2.12 -1.08 -0.29 -4.91 116.67 116.83 3hoy s ASP 618 Ca 0.05 -3.68 -0.15 0.00 -0.52 0.00 0.00 52.55 48.24 3hoy s ASP 618 Cb -0.17 -2.08 0.23 0.00 -1.46 0.00 0.00 42.92 39.45 3hoy s ASP 618 CO 0.05 -0.23 1.60 0.40 0.52 0.00 0.00 175.17 177.51 3hoy h ILE 619 N 3.81 0.24 0.00 4.11 2.04 -1.95 0.38 117.51 126.15 3hoy h ILE 619 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 3hoy h ILE 619 Cb 0.84 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3hoy h ILE 619 CO 0.95 0.00 0.21 0.03 0.00 0.00 0.00 178.15 179.34 3hoy h ARG 620 N -0.06 0.00 -0.00 2.37 3.08 -1.97 0.83 114.38 118.63 3hoy h ARG 620 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3hoy h ARG 620 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3hoy h ARG 620 CO -0.72 0.00 -0.05 -1.91 -1.07 0.00 0.00 179.97 176.21 3hoy n GLU 621 N -2.25 4.62 -3.42 0.04 4.07 0.11 -5.03 120.64 118.78 3hoy n GLU 621 Ca -0.01 -0.16 -0.17 0.00 -0.06 0.00 0.00 57.16 56.76 3hoy n GLU 621 Cb 0.24 -0.69 0.09 0.00 -0.06 0.00 0.00 31.44 31.01 3hoy n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3hoy n LYS 622 N -0.74 -6.46 -4.05 5.31 5.02 0.34 -4.98 118.16 112.61 3hoy n LYS 622 Ca 0.00 0.84 -0.13 0.00 -2.02 0.00 0.00 58.31 57.01 3hoy n LYS 622 Cb 0.03 -5.85 -0.12 0.00 -0.02 0.00 0.00 35.03 29.07 3hoy n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hoy s GLU 623 N -5.32 0.40 -0.40 1.97 2.02 -1.20 -2.83 118.70 113.34 3hoy s GLU 623 Ca 0.01 -0.51 0.02 0.00 0.02 0.00 0.00 54.97 54.52 3hoy s GLU 623 Cb -0.00 -0.20 0.12 0.00 0.10 0.00 0.00 34.13 34.14 3hoy s GLU 623 CO 0.73 0.04 0.16 -1.17 0.02 0.00 0.00 175.26 175.03 3hoy s LEU 624 N -1.04 3.38 -0.01 1.80 2.96 -0.88 -1.14 118.68 123.74 3hoy s LEU 624 Ca -0.07 -2.34 -0.17 0.00 -0.22 0.00 0.00 54.13 51.33 3hoy s LEU 624 Cb -0.07 -1.25 -0.06 0.00 0.50 0.00 0.00 46.19 45.32 3hoy s LEU 624 CO -0.00 -0.33 0.48 -0.54 -1.32 0.00 0.00 176.35 174.64 3hoy s LYS 625 N 0.68 4.13 -0.06 1.98 -0.14 -0.86 -0.13 119.74 125.34 3hoy s LYS 625 Ca 0.14 0.52 0.01 0.00 -1.36 0.00 0.00 55.97 55.28 3hoy s LYS 625 Cb -0.22 -3.29 0.02 0.00 -1.68 0.00 0.00 37.83 32.66 3hoy s LYS 625 CO -0.08 0.51 -0.07 0.42 -0.76 0.00 0.00 175.35 175.37 3hoy s ILE 626 N -0.56 0.79 -0.12 2.17 1.01 0.21 -0.87 121.20 123.82 3hoy s ILE 626 Ca 0.26 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.69 3hoy s ILE 626 Cb -0.17 -0.78 0.01 0.00 0.01 0.00 0.00 42.46 41.53 3hoy s ILE 626 CO 0.14 0.29 -0.19 -0.36 0.00 0.00 0.00 174.94 174.82 3hoy s PHE 627 N 0.99 2.35 -0.29 3.97 0.40 0.97 0.39 117.98 126.77 3hoy s PHE 627 Ca -0.09 -1.14 0.17 0.00 -0.60 0.00 0.00 56.93 55.26 3hoy s PHE 627 Cb -0.14 -1.63 -0.23 0.00 0.51 0.00 0.00 43.02 41.52 3hoy s PHE 627 CO 0.00 -0.54 0.48 -2.37 0.70 0.00 0.00 175.22 173.50 3hoy n THR 628 N 4.09 0.00 0.00 0.64 5.66 -1.26 -0.88 114.28 122.53 3hoy n THR 628 Ca -0.20 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 3hoy n THR 628 Cb 0.51 0.43 0.00 0.00 -1.55 0.00 0.00 70.33 69.73 3hoy n THR 628 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3hoy n ASP 629 N -1.83 0.00 -4.58 1.09 -0.08 -1.26 -2.87 116.55 107.03 3hoy n ASP 629 Ca -0.01 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 3hoy n ASP 629 Cb 0.37 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.77 3hoy n ASP 629 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hoy s ALA 630 N 0.00 3.47 0.00 -1.67 0.00 -1.26 -4.24 121.76 118.06 3hoy s ALA 630 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3hoy s ALA 630 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.97 3hoy s ALA 630 CO 0.00 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 174.90 3hoy n GLY 631 N 4.62 1.25 3.71 0.00 0.00 -0.46 -4.90 105.19 109.41 3hoy n GLY 631 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3hoy n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hoy s ARG 632 N 0.00 4.33 0.14 1.61 0.52 -1.26 -2.18 118.95 122.12 3hoy s ARG 632 Ca 0.00 2.03 -0.28 0.00 -0.52 0.00 0.00 55.73 56.97 3hoy s ARG 632 Cb 0.00 -3.28 -0.07 0.00 0.52 0.00 0.00 34.95 32.12 3hoy s ARG 632 CO 0.00 -0.42 0.87 0.08 0.02 0.00 0.00 175.30 175.85 3hoy s VAL 633 N 1.17 4.40 0.07 3.52 1.01 -1.26 -0.59 120.40 128.73 3hoy s VAL 633 Ca 0.64 1.90 -0.06 0.00 0.00 0.00 0.00 61.98 64.45 3hoy s VAL 633 Cb -0.36 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.77 3hoy s VAL 633 CO 0.30 0.42 0.12 -0.72 0.00 0.00 0.00 175.10 175.22 3hoy s TYR 634 N -0.60 0.27 0.28 5.22 -0.85 -0.18 -3.78 117.35 117.70 3hoy s TYR 634 Ca 0.41 -0.73 0.10 0.00 -0.52 0.00 0.00 57.07 56.33 3hoy s TYR 634 Cb -0.23 -0.16 -0.05 0.00 0.38 0.00 0.00 41.96 41.89 3hoy s TYR 634 CO 0.28 -0.49 -0.15 -0.98 -1.52 0.00 0.00 175.55 172.69 3hoy s ARG 635 N -3.83 1.64 -0.04 -3.49 1.70 -1.12 -1.09 118.95 112.72 3hoy s ARG 635 Ca 0.05 -1.78 -0.13 0.00 -0.47 0.00 0.00 55.73 53.41 3hoy s ARG 635 Cb 0.06 -1.59 -0.05 0.00 -0.57 0.00 0.00 34.95 32.80 3hoy s ARG 635 CO -0.10 0.24 0.33 -1.25 -1.08 0.00 0.00 175.30 173.43 3hoy s PRO 636 N -3.58 3.80 0.06 3.89 0.04 -1.26 -1.13 135.00 136.82 3hoy s PRO 636 Ca 0.29 0.26 0.03 0.00 0.04 0.00 0.00 61.00 61.62 3hoy s PRO 636 Cb -0.02 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 3hoy s PRO 636 CO 0.14 0.70 -0.10 -0.51 0.04 0.00 0.00 177.00 177.27 3hoy s LEU 637 N -1.02 2.31 0.16 -3.56 1.43 0.16 -4.62 118.68 113.53 3hoy s LEU 637 Ca 0.21 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 3hoy s LEU 637 Cb -0.15 -0.29 -0.07 0.00 0.03 0.00 0.00 46.19 45.70 3hoy s LEU 637 CO 0.11 -0.19 1.12 -0.36 0.23 0.00 0.00 176.35 177.26 3hoy s PHE 638 N -1.67 3.56 0.14 0.29 2.99 -0.43 -1.90 117.98 120.96 3hoy s PHE 638 Ca -0.03 1.55 -0.11 0.00 0.00 0.00 0.00 56.93 58.33 3hoy s PHE 638 Cb -0.08 -3.31 -0.07 0.00 0.00 0.00 0.00 43.02 39.57 3hoy s PHE 638 CO 0.01 -0.74 0.49 0.42 -0.00 0.00 0.00 175.22 175.40 3hoy s ILE 639 N -0.06 4.97 -0.21 0.64 1.01 -1.18 0.13 121.20 126.49 3hoy s ILE 639 Ca 0.51 0.60 0.05 0.00 0.00 0.00 0.00 60.65 61.81 3hoy s ILE 639 Cb -0.30 -3.68 -0.17 0.00 0.01 0.00 0.00 42.46 38.33 3hoy s ILE 639 CO 0.34 0.19 -0.14 0.52 0.00 0.00 0.00 174.94 175.86 3hoy n VAL 640 N 0.63 1.29 -0.10 2.92 0.31 0.42 -1.27 118.33 122.53 3hoy n VAL 640 Ca -0.05 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 3hoy n VAL 640 Cb 0.52 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 3hoy n VAL 640 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hoy n GLU 641 N -3.04 -0.04 0.00 5.55 -0.58 -1.26 -2.56 120.64 118.72 3hoy n GLU 641 Ca -0.38 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.40 3hoy n GLU 641 Cb 0.97 -0.03 0.00 0.00 -0.57 0.00 0.00 31.44 31.81 3hoy n GLU 641 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3hoy n ASP 642 N 1.08 0.00 -2.11 1.62 5.75 -1.26 -3.76 116.55 117.87 3hoy n ASP 642 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 55.02 3hoy n ASP 642 Cb 0.00 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 3hoy n ASP 642 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3hoy n ASP 643 N -1.19 0.00 -4.35 -1.12 8.00 -1.26 -4.14 116.55 112.50 3hoy n ASP 643 Ca 0.00 -0.18 -0.41 0.00 0.71 0.00 0.00 54.79 54.91 3hoy n ASP 643 Cb 0.09 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.09 3hoy n ASP 643 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3hoy s GLU 644 N 0.42 2.79 0.17 -1.24 2.56 -1.24 -4.92 118.70 117.24 3hoy s GLU 644 Ca 0.00 -1.26 -0.19 0.00 0.00 0.00 0.00 54.97 53.53 3hoy s GLU 644 Cb 0.00 -3.85 0.10 0.00 2.00 0.00 0.00 34.13 32.39 3hoy s GLU 644 CO 0.00 -0.85 1.64 0.66 -0.56 0.00 0.00 175.26 176.15 3hoy h SER 645 N 8.50 -0.62 -0.19 -1.70 4.64 -1.88 -3.08 113.55 119.23 3hoy h SER 645 Ca -0.25 0.15 -0.69 0.00 -0.47 0.00 0.00 61.79 60.53 3hoy h SER 645 Cb 1.10 0.34 -0.04 0.00 -0.31 0.00 0.00 62.40 63.49 3hoy h SER 645 CO 0.74 -0.21 2.83 0.18 -0.87 0.00 0.00 176.83 179.50 3hoy n LEU 646 N -5.37 6.14 0.00 5.97 4.77 -1.26 -4.89 117.00 122.36 3hoy n LEU 646 Ca 0.02 -3.97 0.00 0.00 -0.03 0.00 0.00 56.01 52.04 3hoy n LEU 646 Cb 0.28 -1.64 0.00 0.00 -2.33 0.00 0.00 43.42 39.73 3hoy n LEU 646 CO 0.12 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 3hoy n GLY 647 N 4.45 -0.32 0.00 -0.72 0.00 -1.16 -5.05 105.19 102.39 3hoy n GLY 647 Ca 0.51 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3hoy n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3hoy n HIS 648 N 0.00 0.00 -2.05 1.61 1.44 -1.26 -4.60 115.22 110.36 3hoy n HIS 648 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 3hoy n HIS 648 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 3hoy n HIS 648 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 3hoy s LYS 649 N 0.00 3.45 -0.29 -1.40 2.20 -1.26 -3.69 119.74 118.74 3hoy s LYS 649 Ca 0.00 0.56 -0.24 0.00 -0.36 0.00 0.00 55.97 55.93 3hoy s LYS 649 Cb 0.00 -2.14 0.18 0.00 -1.51 0.00 0.00 37.83 34.36 3hoy s LYS 649 CO 0.00 -0.57 1.34 -2.00 -0.36 0.00 0.00 175.35 173.76 3hoy s GLU 650 N -5.11 0.15 -0.23 4.03 2.56 -1.06 -4.93 118.70 114.11 3hoy s GLU 650 Ca 0.54 0.19 -0.40 0.00 0.00 0.00 0.00 54.97 55.29 3hoy s GLU 650 Cb -0.11 0.07 -0.16 0.00 2.00 0.00 0.00 34.13 35.93 3hoy s GLU 650 CO 0.51 -0.02 1.64 1.28 -0.56 0.00 0.00 175.26 178.11 3hoy n LEU 651 N 1.86 2.05 -0.11 2.70 4.77 -1.25 -4.35 117.00 122.66 3hoy n LEU 651 Ca -0.11 1.10 -0.10 0.00 -0.03 0.00 0.00 56.01 56.87 3hoy n LEU 651 Cb 0.57 -1.11 -0.04 0.00 -2.33 0.00 0.00 43.42 40.50 3hoy n LEU 651 CO 0.02 -0.63 0.58 0.50 -1.33 0.00 0.00 177.39 176.53 3hoy h LYS 652 N 6.38 -0.32 -6.93 3.23 3.64 -1.38 -3.41 116.57 117.78 3hoy h LYS 652 Ca -0.47 0.02 -0.55 0.00 -1.27 0.00 0.00 60.65 58.38 3hoy h LYS 652 Cb 1.33 0.07 0.13 0.00 -0.41 0.00 0.00 32.23 33.35 3hoy h LYS 652 CO 0.92 -0.21 0.58 0.28 -2.27 0.00 0.00 179.45 178.75 3hoy n VAL 653 N -5.42 2.94 -4.13 2.00 0.31 -1.26 -5.02 118.33 107.75 3hoy n VAL 653 Ca -0.01 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.71 3hoy n VAL 653 Cb 0.35 -1.68 -0.11 0.00 -0.91 0.00 0.00 33.84 31.49 3hoy n VAL 653 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hoy s ARG 654 N -2.45 0.73 0.17 5.55 1.81 -1.26 -4.76 118.95 118.73 3hoy s ARG 654 Ca 0.64 -1.13 0.01 0.00 -1.72 0.00 0.00 55.73 53.53 3hoy s ARG 654 Cb -0.46 -0.24 0.07 0.00 -0.45 0.00 0.00 34.95 33.86 3hoy s ARG 654 CO 0.56 0.01 0.71 1.17 -0.68 0.00 0.00 175.30 177.06 3hoy n LYS 655 N 0.49 0.02 -0.07 3.54 4.81 -0.24 0.76 118.16 127.48 3hoy n LYS 655 Ca -0.16 0.28 -0.10 0.00 -0.87 0.00 0.00 58.31 57.46 3hoy n LYS 655 Cb 0.59 -2.11 -0.09 0.00 0.02 0.00 0.00 35.03 33.44 3hoy n LYS 655 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3hoy h GLY 656 N 0.00 0.00 -0.22 3.14 0.00 -1.82 -3.09 103.07 101.08 3hoy h GLY 656 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 3hoy h GLY 656 CO 0.00 0.00 -0.23 0.45 0.00 0.00 0.00 176.54 176.76 3hoy h HIS 657 N -1.00 -0.58 0.00 5.60 3.86 0.00 -0.47 115.15 122.56 3hoy h HIS 657 Ca -0.03 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3hoy h HIS 657 Cb 0.73 0.34 0.00 0.00 1.06 0.00 0.00 27.41 29.54 3hoy h HIS 657 CO 0.17 -0.31 0.00 -0.89 0.86 0.00 0.00 177.93 177.76 3hoy n ILE 658 N -5.42 0.00 0.13 2.45 5.41 -1.16 -0.87 119.36 119.90 3hoy n ILE 658 Ca 0.05 1.26 0.17 0.00 1.00 0.00 0.00 62.75 65.23 3hoy n ILE 658 Cb 0.33 -1.91 0.55 0.00 -0.71 0.00 0.00 39.64 37.90 3hoy n ILE 658 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hoy h ALA 659 N -1.63 2.08 0.00 -1.39 0.00 -1.39 1.18 119.26 118.12 3hoy h ALA 659 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hoy h ALA 659 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hoy h ALA 659 CO 0.00 -0.89 -0.13 -0.22 0.00 0.00 0.00 179.25 178.01 3hoy h LYS 660 N 0.00 0.00 0.01 0.00 3.64 0.70 -2.79 116.57 118.12 3hoy h LYS 660 Ca 0.17 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.34 3hoy h LYS 660 Cb 1.58 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.37 3hoy h LYS 660 CO -0.00 0.13 -1.16 -0.07 -2.27 0.00 0.00 179.45 176.08 3hoy h LEU 661 N 0.00 0.03 -0.34 5.20 3.38 0.23 -3.25 115.31 120.57 3hoy h LEU 661 Ca -0.00 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.38 3hoy h LEU 661 Cb 0.96 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3hoy h LEU 661 CO 0.02 1.46 0.07 0.23 0.09 0.00 0.00 178.44 180.31 3hoy n MET 662 N -4.40 0.03 0.07 1.13 2.81 -0.85 0.21 117.12 116.13 3hoy n MET 662 Ca -0.29 0.48 -0.21 0.00 -1.81 0.00 0.00 57.70 55.87 3hoy n MET 662 Cb 0.68 -1.68 -0.14 0.00 -0.71 0.00 0.00 33.22 31.37 3hoy n MET 662 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hoy h ALA 663 N 1.75 -0.07 0.00 3.04 0.00 -1.55 -3.02 119.26 119.41 3hoy h ALA 663 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3hoy h ALA 663 Cb 0.14 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hoy h ALA 663 CO 0.00 0.49 0.00 2.41 0.00 0.00 0.00 179.25 182.15 3hoy n THR 664 N -4.00 0.69 -0.01 0.00 -1.04 0.56 -3.32 114.28 107.16 3hoy n THR 664 Ca -0.14 0.06 -0.09 0.00 -2.04 0.00 0.00 64.05 61.84 3hoy n THR 664 Cb 0.88 -0.89 -0.07 0.00 -1.82 0.00 0.00 70.33 68.43 3hoy n THR 664 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3hoy h GLU 665 N 0.00 -0.10 0.00 -2.82 5.08 -1.02 -3.26 114.58 112.46 3hoy h GLU 665 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3hoy h GLU 665 Cb 0.46 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3hoy h GLU 665 CO 0.00 0.40 0.23 -0.92 -1.00 0.00 0.00 179.01 177.71 3hoy h TYR 666 N -0.93 0.00 -0.08 4.33 3.20 -1.52 -2.09 116.97 119.87 3hoy h TYR 666 Ca -0.01 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 3hoy h TYR 666 Cb 0.54 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 3hoy h TYR 666 CO 0.12 0.00 0.06 1.04 -1.64 0.00 0.00 178.16 177.74 3hoy n GLN 667 N -2.40 1.11 0.00 1.82 6.02 -1.23 -5.14 117.38 117.57 3hoy n GLN 667 Ca -0.01 -0.25 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 3hoy n GLN 667 Cb 0.26 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.42 3hoy n GLN 667 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3hoy n ASP 668 N 0.79 0.00 0.00 1.08 8.00 -0.79 -5.09 116.55 120.53 3hoy n ASP 668 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3hoy n ASP 668 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 3hoy n ASP 668 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3hoy n GLU 678 N -0.54 -0.07 -4.00 -1.24 0.28 -1.26 -5.08 120.64 108.73 3hoy n GLU 678 Ca 0.00 -0.18 -0.31 0.00 -0.16 0.00 0.00 57.16 56.51 3hoy n GLU 678 Cb 0.00 -0.59 -0.15 0.00 1.43 0.00 0.00 31.44 32.13 3hoy n GLU 678 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3hoy s TYR 679 N -0.03 3.58 0.00 -1.84 5.04 -1.26 -5.08 117.35 117.76 3hoy s TYR 679 Ca 0.00 -3.01 0.00 0.00 -2.44 0.00 0.00 57.07 51.62 3hoy s TYR 679 Cb 0.00 -2.87 0.00 0.00 0.35 0.00 0.00 41.96 39.44 3hoy s TYR 679 CO 0.00 -0.90 0.00 0.25 -1.34 0.00 0.00 175.55 173.56 3hoy n THR 680 N 4.02 0.00 -0.09 4.34 -2.24 -1.26 -4.73 114.28 114.33 3hoy n THR 680 Ca 0.04 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.65 3hoy n THR 680 Cb 0.40 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.53 3hoy n THR 680 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3hoy h TRP 681 N 0.00 0.00 0.00 4.78 2.91 -1.95 -3.32 115.95 118.37 3hoy h TRP 681 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 3hoy h TRP 681 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 3hoy h TRP 681 CO 0.00 1.10 0.47 1.03 -1.03 0.00 0.00 178.44 180.01 3hoy h SER 682 N -1.00 0.00 0.08 2.65 0.87 -1.96 0.12 113.55 114.31 3hoy h SER 682 Ca -0.23 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3hoy h SER 682 Cb 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 3hoy h SER 682 CO -0.14 0.00 -0.04 0.28 -0.53 0.00 0.00 176.83 176.40 3hoy h SER 683 N 0.00 -0.09 -0.96 6.23 0.02 -1.94 -2.08 113.55 114.73 3hoy h SER 683 Ca 0.00 0.00 0.28 0.00 -0.84 0.00 0.00 61.79 61.23 3hoy h SER 683 Cb 0.94 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.47 3hoy h SER 683 CO 0.00 0.05 1.10 -0.07 -1.14 0.00 0.00 176.83 176.77 3hoy h LEU 684 N -0.33 0.00 0.00 5.07 3.38 -0.89 0.95 115.31 123.49 3hoy h LEU 684 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hoy h LEU 684 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hoy h LEU 684 CO 0.02 0.00 -0.03 0.25 0.09 0.00 0.00 178.44 178.77 3hoy h LEU 685 N 0.00 0.00 -0.73 1.67 5.85 -1.37 -2.11 115.31 118.62 3hoy h LEU 685 Ca 0.46 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hoy h LEU 685 Cb 2.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.68 3hoy h LEU 685 CO -0.00 0.75 0.00 0.78 -0.34 0.00 0.00 178.44 179.62 3hoy h ASN 686 N -1.00 0.00 -0.78 1.25 2.35 -0.16 -2.23 115.58 115.01 3hoy h ASN 686 Ca -0.01 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.25 3hoy h ASN 686 Cb 0.48 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 38.62 3hoy h ASN 686 CO -0.00 0.00 0.63 -0.62 -1.65 0.00 0.00 177.43 175.79 3hoy n GLU 687 N -2.32 2.20 -2.82 0.81 1.02 -0.11 -4.43 120.64 114.99 3hoy n GLU 687 Ca 0.02 -2.50 -0.08 0.00 -0.02 0.00 0.00 57.16 54.58 3hoy n GLU 687 Cb 0.25 -1.98 -0.02 0.00 -0.02 0.00 0.00 31.44 29.66 3hoy n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hoy n GLY 688 N -0.53 -0.04 0.00 0.62 0.00 -0.52 -4.70 105.19 100.02 3hoy n GLY 688 Ca 0.49 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.61 3hoy n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hoy n LEU 689 N -1.78 0.30 -3.63 0.99 4.77 -0.83 -4.97 117.00 111.86 3hoy n LEU 689 Ca -0.06 -0.26 -0.04 0.00 -0.03 0.00 0.00 56.01 55.62 3hoy n LEU 689 Cb 0.16 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3hoy n LEU 689 CO 0.21 0.08 0.48 0.54 -1.33 0.00 0.00 177.39 177.36 3hoy s VAL 690 N -2.53 -0.14 0.23 4.08 0.11 -0.99 -3.13 120.40 118.04 3hoy s VAL 690 Ca 0.00 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 3hoy s VAL 690 Cb 0.09 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 3hoy s VAL 690 CO 0.52 0.00 -0.02 -1.83 -3.33 0.00 0.00 175.10 170.45 3hoy s GLU 691 N 1.72 1.36 -0.04 1.54 -1.05 -0.80 -4.27 118.70 117.16 3hoy s GLU 691 Ca -0.09 -1.68 -0.23 0.00 -0.15 0.00 0.00 54.97 52.82 3hoy s GLU 691 Cb -0.05 -0.71 -0.04 0.00 -0.44 0.00 0.00 34.13 32.89 3hoy s GLU 691 CO -0.18 -0.06 0.70 0.71 0.95 0.00 0.00 175.26 177.38 3hoy s TYR 692 N -3.35 3.62 -0.25 4.83 4.12 -1.26 -0.67 117.35 124.39 3hoy s TYR 692 Ca 0.28 1.29 0.02 0.00 0.02 0.00 0.00 57.07 58.67 3hoy s TYR 692 Cb 0.05 -2.79 0.06 0.00 -1.52 0.00 0.00 41.96 37.77 3hoy s TYR 692 CO 0.09 0.15 -0.06 0.42 0.02 0.00 0.00 175.55 176.17 3hoy s ILE 693 N 0.55 1.73 1.02 2.71 1.01 -0.28 -4.95 121.20 122.99 3hoy s ILE 693 Ca 0.37 -1.42 -0.17 0.00 0.00 0.00 0.00 60.65 59.43 3hoy s ILE 693 Cb -0.18 -1.98 0.22 0.00 0.01 0.00 0.00 42.46 40.53 3hoy s ILE 693 CO 0.19 -0.14 1.28 1.51 0.00 0.00 0.00 174.94 177.78 3hoy s ASP 694 N 1.29 2.57 0.18 3.58 -4.77 -1.26 -2.81 116.67 115.46 3hoy s ASP 694 Ca -0.05 0.34 -0.11 0.00 -3.30 0.00 0.00 52.55 49.43 3hoy s ASP 694 Cb -0.19 -0.42 0.10 0.00 -1.09 0.00 0.00 42.92 41.32 3hoy s ASP 694 CO -0.07 -3.08 1.76 0.00 0.70 0.00 0.00 175.17 174.49 3hoy h ALA 695 N -1.88 0.84 0.42 2.11 0.00 -1.91 -1.84 119.26 117.01 3hoy h ALA 695 Ca -0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 3hoy h ALA 695 Cb 1.25 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3hoy h ALA 695 CO 0.37 0.41 -0.51 1.49 0.00 0.00 0.00 179.25 181.01 3hoy h GLU 696 N 0.90 -0.91 -0.18 0.00 4.57 -1.93 -3.02 114.58 114.01 3hoy h GLU 696 Ca 0.22 0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.48 3hoy h GLU 696 Cb 0.14 0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 3hoy h GLU 696 CO -0.03 -0.61 0.05 1.49 -1.18 0.00 0.00 179.01 178.73 3hoy h GLU 697 N -0.95 0.12 -1.74 1.92 4.81 -1.86 -2.33 114.58 114.54 3hoy h GLU 697 Ca -0.05 -0.01 0.54 0.00 -0.13 0.00 0.00 59.36 59.71 3hoy h GLU 697 Cb 0.85 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.10 3hoy h GLU 697 CO -0.11 0.08 1.21 1.49 -0.73 0.00 0.00 179.01 180.94 3hoy h GLU 698 N 0.12 0.00 -0.91 1.92 4.81 -1.21 0.58 114.58 119.90 3hoy h GLU 698 Ca 0.08 -0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.48 3hoy h GLU 698 Cb 0.06 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 3hoy h GLU 698 CO -0.09 0.00 0.59 0.93 -0.73 0.00 0.00 179.01 179.71 3hoy h GLU 699 N 0.00 0.54 -2.24 1.92 4.39 -1.34 -2.96 114.58 114.89 3hoy h GLU 699 Ca 0.92 -0.03 -0.73 0.00 0.34 0.00 0.00 59.36 59.86 3hoy h GLU 699 Cb 3.40 -0.12 -0.33 0.00 -0.10 0.00 0.00 28.75 31.60 3hoy h GLU 699 CO -0.19 0.36 0.40 -1.13 -1.16 0.00 0.00 179.01 177.29 3hoy n SER 700 N -4.56 6.30 -3.48 1.42 3.41 0.20 -4.98 113.62 111.93 3hoy n SER 700 Ca 0.19 -3.70 -0.12 0.00 -0.26 0.00 0.00 58.87 54.98 3hoy n SER 700 Cb 0.59 -0.93 -0.03 0.00 -0.26 0.00 0.00 64.21 63.58 3hoy n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3hoy s ILE 701 N -4.44 0.02 0.08 -1.33 -4.36 -1.12 -5.01 121.20 105.03 3hoy s ILE 701 Ca 0.43 -0.14 0.09 0.00 -0.26 0.00 0.00 60.65 60.77 3hoy s ILE 701 Cb 0.24 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.88 3hoy s ILE 701 CO -0.15 -0.08 -0.21 -0.22 0.24 0.00 0.00 174.94 174.53 3hoy s LEU 702 N -2.60 2.53 0.07 0.37 2.96 -1.26 -4.99 118.68 115.75 3hoy s LEU 702 Ca 0.00 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.43 3hoy s LEU 702 Cb -0.00 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 3hoy s LEU 702 CO -0.10 0.22 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.37 3hoy s ILE 703 N -0.99 1.14 -0.06 6.68 1.01 -1.25 -1.55 121.20 126.18 3hoy s ILE 703 Ca 0.15 -1.25 0.02 0.00 0.00 0.00 0.00 60.65 59.57 3hoy s ILE 703 Cb -0.10 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 3hoy s ILE 703 CO 0.06 -0.17 -0.09 0.00 0.00 0.00 0.00 174.94 174.75 3hoy s ALA 704 N -1.17 2.90 -0.01 9.38 0.00 0.22 -4.96 121.76 128.12 3hoy s ALA 704 Ca -0.01 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 3hoy s ALA 704 Cb -0.10 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 3hoy s ALA 704 CO 0.02 0.57 0.38 1.98 0.00 0.00 0.00 175.76 178.71 3hoy h MET 705 N 5.25 -0.08 -6.60 0.00 4.05 -1.90 0.45 114.93 116.10 3hoy h MET 705 Ca -0.48 0.01 -0.51 0.00 -0.28 0.00 0.00 59.70 58.43 3hoy h MET 705 Cb 1.17 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.98 3hoy h MET 705 CO 0.52 -0.05 -0.05 -0.65 0.23 0.00 0.00 176.91 176.91 3hoy s GLN 706 N -1.93 3.72 -0.06 0.39 1.11 -1.26 -3.98 119.66 117.65 3hoy s GLN 706 Ca -0.01 0.22 -0.26 0.00 0.01 0.00 0.00 55.36 55.33 3hoy s GLN 706 Cb 0.00 -2.56 -0.23 0.00 -1.01 0.00 0.00 33.01 29.21 3hoy s GLN 706 CO 0.03 0.15 1.02 -1.00 0.01 0.00 0.00 175.29 175.51 3hoy h PRO 707 N 1.72 0.11 0.00 2.91 0.13 -1.88 -3.32 132.00 131.66 3hoy h PRO 707 Ca -0.47 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 3hoy h PRO 707 Cb 1.18 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hoy h PRO 707 CO 0.66 0.86 0.00 -0.85 -0.23 0.00 0.00 178.00 178.43 3hoy n GLU 708 N -4.59 0.00 -0.02 0.86 0.28 -1.26 -4.11 120.64 111.80 3hoy n GLU 708 Ca -0.09 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 56.93 3hoy n GLU 708 Cb 0.45 -0.27 0.04 0.00 1.43 0.00 0.00 31.44 33.09 3hoy n GLU 708 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3hoy n ASP 709 N -0.11 0.00 -2.17 -1.84 8.00 -1.26 0.42 116.55 119.60 3hoy n ASP 709 Ca 0.00 0.07 -0.28 0.00 0.71 0.00 0.00 54.79 55.29 3hoy n ASP 709 Cb 0.00 -0.03 0.04 0.00 -0.02 0.00 0.00 41.12 41.11 3hoy n ASP 709 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hoy n LEU 710 N -1.52 5.79 0.00 0.64 4.77 -1.25 -4.74 117.00 120.69 3hoy n LEU 710 Ca 0.02 -4.65 0.00 0.00 -0.03 0.00 0.00 56.01 51.35 3hoy n LEU 710 Cb 0.14 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3hoy n LEU 710 CO 0.02 1.93 0.00 -0.62 -1.33 0.00 0.00 177.39 177.39 3hoy n GLU 711 N -0.75 0.89 -2.30 3.23 -0.58 0.17 -4.97 120.64 116.33 3hoy n GLU 711 Ca 0.49 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.97 3hoy n GLU 711 Cb 0.84 -0.34 0.05 0.00 -0.57 0.00 0.00 31.44 31.42 3hoy n GLU 711 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3hoy s PRO 712 N -0.78 2.58 0.00 3.49 0.04 -1.26 -4.93 135.00 134.13 3hoy s PRO 712 Ca 0.00 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 60.91 3hoy s PRO 712 Cb 0.00 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3hoy s PRO 712 CO 0.00 -0.95 0.00 0.00 0.04 0.00 0.00 177.00 176.09 3hoy n ALA 713 N -2.74 0.00 -2.54 8.56 0.00 -1.26 -5.07 120.51 117.47 3hoy n ALA 713 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.19 3hoy n ALA 713 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.93 3hoy n ALA 713 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hoy s GLU 714 N -1.60 2.27 0.03 0.00 2.12 -1.26 -5.20 118.70 115.06 3hoy s GLU 714 Ca 0.00 -0.89 -0.01 0.00 0.36 0.00 0.00 54.97 54.42 3hoy s GLU 714 Cb 0.00 -2.33 -0.00 0.00 0.26 0.00 0.00 34.13 32.05 3hoy s GLU 714 CO 0.00 0.56 -0.02 0.00 -0.54 0.00 0.00 175.26 175.25 3hoy n ALA 715 N 1.34 2.67 0.00 6.30 0.00 -1.26 -5.34 120.51 124.22 3hoy n ALA 715 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3hoy n ALA 715 Cb 0.52 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3hoy n ALA 715 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hoy n ASP 722 N -3.04 0.00 -4.68 0.00 9.92 -1.26 -5.37 116.55 112.13 3hoy n ASP 722 Ca -0.01 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.94 3hoy n ASP 722 Cb 0.03 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 40.68 3hoy n ASP 722 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3hoy s VAL 723 N 0.00 2.11 -0.17 2.53 1.01 -1.26 -4.95 120.40 119.67 3hoy s VAL 723 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 3hoy s VAL 723 Cb 0.00 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 3hoy s VAL 723 CO 0.00 -0.05 1.27 -0.62 0.00 0.00 0.00 175.10 175.70 3hoy s ASP 724 N -2.70 6.93 0.00 3.32 -1.08 -1.26 -4.89 116.67 116.99 3hoy s ASP 724 Ca 0.67 1.68 0.00 0.00 -0.52 0.00 0.00 52.55 54.38 3hoy s ASP 724 Cb -0.23 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 3hoy s ASP 724 CO 0.58 -0.78 0.57 -0.81 0.52 0.00 0.00 175.17 175.25 3hoy n PRO 725 N 6.64 0.68 -0.03 4.34 -0.04 -1.26 -3.12 135.00 142.21 3hoy n PRO 725 Ca 0.14 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.56 3hoy n PRO 725 Cb 0.45 -1.11 -0.04 0.00 -0.04 0.00 0.00 33.50 32.76 3hoy n PRO 725 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hoy n ALA 726 N -0.28 1.84 -0.87 0.55 0.00 -1.26 -5.03 120.51 115.46 3hoy n ALA 726 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 53.44 52.79 3hoy n ALA 726 Cb 0.06 0.22 0.23 0.00 0.00 0.00 0.00 19.45 19.96 3hoy n ALA 726 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hoy s LYS 727 N -2.15 -1.04 0.00 0.00 1.02 -1.18 -4.87 119.74 111.52 3hoy s LYS 727 Ca -0.07 0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.23 3hoy s LYS 727 Cb 0.02 -1.58 0.00 0.00 -0.52 0.00 0.00 37.83 35.75 3hoy s LYS 727 CO 0.21 -3.67 0.00 2.89 -0.92 0.00 0.00 175.35 173.86 3hoy n ARG 728 N -4.80 1.14 -3.17 1.68 1.85 -1.26 -5.02 116.66 107.09 3hoy n ARG 728 Ca 0.08 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.96 3hoy n ARG 728 Cb 0.58 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.98 3hoy n ARG 728 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3hoy s ILE 729 N 0.00 -0.97 0.41 8.89 1.01 -1.26 -5.03 121.20 124.25 3hoy s ILE 729 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.55 3hoy s ILE 729 Cb 0.00 -0.92 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 3hoy s ILE 729 CO 0.00 -0.03 0.73 -0.13 0.00 0.00 0.00 174.94 175.51 3hoy s ARG 730 N 2.72 3.67 0.00 2.79 1.81 -1.26 -5.08 118.95 123.59 3hoy s ARG 730 Ca 0.10 0.27 0.00 0.00 -1.72 0.00 0.00 55.73 54.39 3hoy s ARG 730 Cb -0.10 -2.44 0.00 0.00 -0.45 0.00 0.00 34.95 31.96 3hoy s ARG 730 CO -0.25 -0.04 0.00 0.28 -0.68 0.00 0.00 175.30 174.61 3hoy n VAL 731 N -1.56 0.00 -3.81 3.52 0.31 -1.26 -5.12 118.33 110.42 3hoy n VAL 731 Ca 0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.32 3hoy n VAL 731 Cb 0.54 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 3hoy n VAL 731 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3hoy s SER 732 N -1.01 -0.06 -0.35 4.52 0.01 -1.26 -5.06 113.70 110.49 3hoy s SER 732 Ca 0.00 -0.46 0.08 0.00 1.31 0.00 0.00 55.95 56.89 3hoy s SER 732 Cb 0.00 0.41 0.45 0.00 0.21 0.00 0.00 66.02 67.09 3hoy s SER 732 CO 0.00 -0.78 1.14 0.00 0.41 0.00 0.00 173.24 174.00 3hoy n HIS 733 N -0.61 2.78 -0.30 2.43 1.44 -1.26 -4.89 115.22 114.81 3hoy n HIS 733 Ca -0.04 -2.61 -0.02 0.00 -2.01 0.00 0.00 57.72 53.04 3hoy n HIS 733 Cb 0.60 -0.23 -0.02 0.00 0.12 0.00 0.00 29.99 30.46 3hoy n HIS 733 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3hoy n HIS 734 N -0.56 0.00 -4.60 -1.40 8.25 -1.26 -4.72 115.22 110.92 3hoy n HIS 734 Ca 0.37 -0.53 -0.30 0.00 -0.26 0.00 0.00 57.72 57.00 3hoy n HIS 734 Cb 0.82 -0.55 -0.14 0.00 1.12 0.00 0.00 29.99 31.25 3hoy n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hoy s ALA 735 N 1.42 2.35 -0.00 -1.41 0.00 -1.26 -5.02 121.76 117.83 3hoy s ALA 735 Ca 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3hoy s ALA 735 Cb 0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 3hoy s ALA 735 CO 0.00 0.54 0.00 2.41 0.00 0.00 0.00 175.76 178.72 3hoy n THR 736 N 1.28 0.02 1.69 0.00 -1.04 -1.26 -4.69 114.28 110.28 3hoy n THR 736 Ca -0.17 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 3hoy n THR 736 Cb 0.53 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 3hoy n THR 736 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3hoy n THR 737 N -1.89 0.00 -1.56 12.58 -2.24 -1.26 -4.90 114.28 115.01 3hoy n THR 737 Ca -0.01 0.00 -0.57 0.00 -2.27 0.00 0.00 64.05 61.20 3hoy n THR 737 Cb 0.39 -0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.45 3hoy n THR 737 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3hoy n PHE 738 N -0.47 1.74 -0.08 4.78 3.01 -1.26 -4.62 117.46 120.55 3hoy n PHE 738 Ca 0.00 0.57 -0.06 0.00 1.01 0.00 0.00 57.45 58.96 3hoy n PHE 738 Cb 0.01 -2.43 -0.16 0.00 -0.01 0.00 0.00 39.48 36.90 3hoy n PHE 738 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3hoy n THR 739 N 5.62 1.18 -4.02 4.37 -2.24 -1.04 -4.48 114.28 113.67 3hoy n THR 739 Ca 0.36 -0.80 -0.08 0.00 -2.27 0.00 0.00 64.05 61.26 3hoy n THR 739 Cb 0.11 -0.42 -0.09 0.00 -2.10 0.00 0.00 70.33 67.83 3hoy n THR 739 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3hoy s HIS 740 N -2.66 0.45 0.08 4.78 3.76 -0.59 -0.43 115.29 120.67 3hoy s HIS 740 Ca -0.09 -0.92 0.07 0.00 -0.15 0.00 0.00 55.06 53.97 3hoy s HIS 740 Cb 0.07 -0.28 -0.03 0.00 1.11 0.00 0.00 32.58 33.46 3hoy s HIS 740 CO 0.84 -0.48 -0.20 0.00 -0.85 0.00 0.00 174.74 174.06 3hoy s GLU 742 N -1.69 4.26 0.47 0.00 2.56 0.16 -1.31 118.70 123.15 3hoy s GLU 742 Ca 0.05 1.57 0.25 0.00 0.00 0.00 0.00 54.97 56.84 3hoy s GLU 742 Cb -0.10 -3.70 1.29 0.00 2.00 0.00 0.00 34.13 33.62 3hoy s GLU 742 CO 0.03 -0.65 1.85 0.82 -0.56 0.00 0.00 175.26 176.76 3hoy h ILE 743 N 5.42 0.58 0.00 -3.70 2.04 -1.86 -3.43 117.51 116.56 3hoy h ILE 743 Ca -0.25 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3hoy h ILE 743 Cb 1.10 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3hoy h ILE 743 CO 0.96 0.04 0.00 1.57 0.00 0.00 0.00 178.15 180.72 3hoy n HIS 744 N -4.41 0.00 -0.21 1.37 -0.00 -1.26 -4.74 115.22 105.96 3hoy n HIS 744 Ca 0.20 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.94 3hoy n HIS 744 Cb 0.88 0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.99 3hoy n HIS 744 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3hoy h PRO 745 N 0.00 0.31 0.00 1.57 0.13 -1.84 -2.19 132.00 129.98 3hoy h PRO 745 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3hoy h PRO 745 Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 3hoy h PRO 745 CO 0.00 0.20 0.43 0.66 -0.23 0.00 0.00 178.00 179.07 3hoy h SER 746 N 0.32 0.00 -0.01 1.44 4.64 -1.97 0.29 113.55 118.25 3hoy h SER 746 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3hoy h SER 746 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3hoy h SER 746 CO -0.40 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.79 3hoy n MET 747 N -2.00 1.08 0.28 4.77 2.81 -0.82 -2.79 117.12 120.44 3hoy n MET 747 Ca -0.01 -0.12 0.16 0.00 -1.81 0.00 0.00 57.70 55.93 3hoy n MET 747 Cb 0.45 -1.44 0.73 0.00 -0.71 0.00 0.00 33.22 32.25 3hoy n MET 747 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 3hoy h ILE 748 N 0.28 0.17 -4.39 2.02 3.07 -0.65 -3.27 117.51 114.72 3hoy h ILE 748 Ca 0.00 -0.55 -0.46 0.00 1.55 0.00 0.00 64.86 65.40 3hoy h ILE 748 Cb 0.06 1.46 0.12 0.00 -0.27 0.00 0.00 36.82 38.19 3hoy h ILE 748 CO 0.00 0.05 0.37 -0.76 -1.05 0.00 0.00 178.15 176.77 3hoy s LEU 749 N -6.43 2.34 0.00 0.16 1.43 -1.12 -4.12 118.68 110.94 3hoy s LEU 749 Ca -0.00 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 3hoy s LEU 749 Cb 0.10 -3.11 0.01 0.00 0.03 0.00 0.00 46.19 43.22 3hoy s LEU 749 CO 0.55 -2.28 0.08 0.61 0.23 0.00 0.00 176.35 175.54 3hoy n GLY 750 N -3.00 3.44 0.40 -3.19 0.00 -1.26 -0.88 105.19 100.69 3hoy n GLY 750 Ca 0.09 -2.35 0.19 0.00 0.00 0.00 0.00 46.02 43.95 3hoy n GLY 750 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hoy h VAL 751 N 1.12 0.71 0.08 1.61 2.07 -1.92 -1.53 116.25 118.39 3hoy h VAL 751 Ca -0.37 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3hoy h VAL 751 Cb 1.17 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3hoy h VAL 751 CO 0.62 0.06 -0.04 0.00 0.02 0.00 0.00 177.57 178.23 3hoy h ALA 752 N 1.63 -0.11 -0.04 1.67 0.00 -1.91 -3.34 119.26 117.16 3hoy h ALA 752 Ca 0.41 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3hoy h ALA 752 Cb 1.09 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3hoy h ALA 752 CO -0.12 -0.19 -0.34 0.00 0.00 0.00 0.00 179.25 178.59 3hoy h ALA 753 N -0.15 1.36 0.00 0.00 0.00 -1.85 -3.09 119.26 115.54 3hoy h ALA 753 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hoy h ALA 753 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3hoy h ALA 753 CO 0.02 0.46 0.01 0.43 0.00 0.00 0.00 179.25 180.18 3hoy n SER 754 N -4.12 0.00 -0.43 0.00 7.64 -0.59 -0.08 113.62 116.04 3hoy n SER 754 Ca -0.02 0.27 0.08 0.00 1.01 0.00 0.00 58.87 60.21 3hoy n SER 754 Cb 0.39 -0.27 0.01 0.00 -1.01 0.00 0.00 64.21 63.34 3hoy n SER 754 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3hoy n ILE 755 N -1.26 0.00 -2.61 0.44 5.41 -1.17 -4.33 119.36 115.84 3hoy n ILE 755 Ca 0.00 -0.37 -0.43 0.00 1.00 0.00 0.00 62.75 62.95 3hoy n ILE 755 Cb 0.01 1.22 -0.02 0.00 -0.71 0.00 0.00 39.64 40.15 3hoy n ILE 755 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3hoy s ILE 756 N -1.80 4.52 -0.32 1.39 1.01 0.89 -4.95 121.20 121.94 3hoy s ILE 756 Ca 0.15 1.78 -0.29 0.00 0.00 0.00 0.00 60.65 62.29 3hoy s ILE 756 Cb 0.13 -4.33 0.01 0.00 0.01 0.00 0.00 42.46 38.29 3hoy s ILE 756 CO 0.37 -0.36 1.18 -2.16 0.00 0.00 0.00 174.94 173.97 3hoy s PRO 757 N 3.54 3.98 -0.53 2.79 0.04 -1.26 -3.72 135.00 139.84 3hoy s PRO 757 Ca 0.47 1.13 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 3hoy s PRO 757 Cb -0.14 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.59 3hoy s PRO 757 CO 0.13 -1.03 0.20 1.19 0.04 0.00 0.00 177.00 177.53 3hoy n PHE 758 N 7.26 -0.65 0.22 0.56 0.99 -0.79 -4.75 117.46 120.29 3hoy n PHE 758 Ca 0.13 0.17 0.13 0.00 -0.00 0.00 0.00 57.45 57.88 3hoy n PHE 758 Cb 0.47 -2.17 0.48 0.00 -1.00 0.00 0.00 39.48 37.25 3hoy n PHE 758 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3hoy h PRO 759 N -0.45 0.00 -0.93 -1.08 0.13 -1.86 0.80 132.00 128.60 3hoy h PRO 759 Ca -0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.87 3hoy h PRO 759 Cb 1.12 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 3hoy h PRO 759 CO 0.19 0.00 0.11 -0.40 -0.23 0.00 0.00 178.00 177.67 3hoy n ASP 760 N -2.93 2.93 0.00 1.44 5.75 -1.26 -2.88 116.55 119.60 3hoy n ASP 760 Ca 0.04 -2.43 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 3hoy n ASP 760 Cb 0.79 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3hoy n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3hoy n HIS 761 N 0.08 0.00 -3.93 2.11 8.25 0.28 -5.09 115.22 116.91 3hoy n HIS 761 Ca 0.15 -0.01 -0.22 0.00 -0.26 0.00 0.00 57.72 57.38 3hoy n HIS 761 Cb 0.73 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.80 3hoy n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3hoy s ASN 762 N -0.02 4.99 -0.01 0.41 0.01 -1.14 -3.40 114.94 115.78 3hoy s ASN 762 Ca 0.00 -0.64 -0.30 0.00 -0.71 0.00 0.00 52.86 51.21 3hoy s ASN 762 Cb 0.00 -0.84 -0.04 0.00 0.41 0.00 0.00 41.25 40.78 3hoy s ASN 762 CO 0.00 -0.35 1.25 -1.58 -1.51 0.00 0.00 177.10 174.91 3hoy s GLN 763 N -3.93 4.35 0.03 -0.60 0.74 -1.21 -4.90 119.66 114.14 3hoy s GLN 763 Ca 0.40 1.77 -0.06 0.00 0.05 0.00 0.00 55.36 57.52 3hoy s GLN 763 Cb -0.04 -3.51 -0.01 0.00 1.10 0.00 0.00 33.01 30.55 3hoy s GLN 763 CO 0.25 -0.43 0.31 0.45 -0.55 0.00 0.00 175.29 175.31 3hoy n SER 764 N 4.93 -0.20 -0.19 6.67 2.88 -1.26 -0.28 113.62 126.18 3hoy n SER 764 Ca 0.11 0.35 -0.01 0.00 -1.33 0.00 0.00 58.87 58.00 3hoy n SER 764 Cb 0.46 -0.05 0.23 0.00 -0.75 0.00 0.00 64.21 64.09 3hoy n SER 764 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hoy h PRO 765 N 0.00 0.94 -0.81 -1.46 0.13 -1.98 -2.55 132.00 126.26 3hoy h PRO 765 Ca 0.03 -0.10 0.19 0.00 -0.87 0.00 0.00 66.00 65.25 3hoy h PRO 765 Cb 0.08 -0.19 -0.05 0.00 0.13 0.00 0.00 31.00 30.97 3hoy h PRO 765 CO -0.18 0.69 0.55 0.00 -0.23 0.00 0.00 178.00 178.84 3hoy h ARG 766 N 0.95 0.27 0.00 0.86 2.47 -1.00 0.79 114.38 118.71 3hoy h ARG 766 Ca 0.24 -0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 58.85 3hoy h ARG 766 Cb 0.02 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 3hoy h ARG 766 CO -0.04 0.18 -0.45 -0.91 0.56 0.00 0.00 179.97 179.31 3hoy h ASN 767 N 0.28 0.00 -0.07 7.04 2.35 -1.48 -2.22 115.58 121.48 3hoy h ASN 767 Ca 0.41 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.00 3hoy h ASN 767 Cb 1.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.53 3hoy h ASN 767 CO -0.11 0.45 -0.51 0.74 -1.65 0.00 0.00 177.43 176.36 3hoy h THR 768 N 0.00 1.31 0.73 2.81 2.02 0.51 -2.12 112.91 118.17 3hoy h THR 768 Ca -0.00 -1.73 -0.04 0.00 0.77 0.00 0.00 66.41 65.41 3hoy h THR 768 Cb 1.00 1.68 0.01 0.00 -1.74 0.00 0.00 68.15 69.09 3hoy h THR 768 CO 0.06 0.55 -0.35 1.88 0.37 0.00 0.00 175.52 178.02 3hoy h TYR 769 N 0.50 -0.92 -0.93 3.16 0.99 -0.87 -2.90 116.97 116.01 3hoy h TYR 769 Ca 0.02 -0.02 0.21 0.00 2.00 0.00 0.00 58.73 60.94 3hoy h TYR 769 Cb 1.06 0.30 -0.07 0.00 1.00 0.00 0.00 36.73 39.02 3hoy h TYR 769 CO 0.05 -0.57 0.61 0.37 -0.00 0.00 0.00 178.16 178.62 3hoy h GLN 770 N -1.17 0.42 0.00 4.88 5.75 -1.47 0.99 115.11 124.51 3hoy h GLN 770 Ca -0.10 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 3hoy h GLN 770 Cb 0.76 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.21 3hoy h GLN 770 CO 0.17 0.28 -0.03 0.77 -2.65 0.00 0.00 178.83 177.36 3hoy h SER 771 N 0.43 0.00 0.12 -0.69 0.02 -1.23 -2.40 113.55 109.81 3hoy h SER 771 Ca 0.49 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 61.09 3hoy h SER 771 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 3hoy h SER 771 CO -0.20 0.03 -1.87 0.00 -1.14 0.00 0.00 176.83 173.65 3hoy h ALA 772 N 1.97 0.37 -0.29 3.77 0.00 0.12 -3.41 119.26 121.79 3hoy h ALA 772 Ca -0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 54.91 53.54 3hoy h ALA 772 Cb 0.09 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3hoy h ALA 772 CO 0.00 1.19 0.03 0.52 0.00 0.00 0.00 179.25 180.99 3hoy h MET 773 N -0.04 0.50 -0.11 0.00 2.07 -0.86 -3.02 114.93 113.47 3hoy h MET 773 Ca -0.40 -0.15 0.03 0.00 -2.07 0.00 0.00 59.70 57.12 3hoy h MET 773 Cb 1.96 -0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 31.64 3hoy h MET 773 CO 0.07 0.62 0.66 0.78 1.07 0.00 0.00 176.91 180.12 3hoy h GLY 774 N 0.31 0.00 -0.19 8.32 0.00 -1.66 1.27 103.07 111.11 3hoy h GLY 774 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3hoy h GLY 774 CO 0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.83 3hoy n LYS 775 N -2.83 1.33 -0.15 4.80 5.02 -1.14 -2.84 118.16 122.34 3hoy n LYS 775 Ca 0.01 -0.50 0.02 0.00 -2.02 0.00 0.00 58.31 55.83 3hoy n LYS 775 Cb 0.72 -1.27 0.03 0.00 -0.02 0.00 0.00 35.03 34.50 3hoy n LYS 775 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3hoy n GLN 776 N -0.23 1.01 -2.50 1.97 6.02 0.43 -4.80 117.38 119.29 3hoy n GLN 776 Ca 0.12 -1.36 -0.23 0.00 -0.01 0.00 0.00 57.00 55.52 3hoy n GLN 776 Cb 0.16 -0.85 0.06 0.00 1.02 0.00 0.00 30.24 30.62 3hoy n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hoy s ALA 777 N -0.91 3.65 0.21 -1.58 0.00 -1.13 -0.38 121.76 121.61 3hoy s ALA 777 Ca 0.08 -1.25 0.09 0.00 0.00 0.00 0.00 51.96 50.87 3hoy s ALA 777 Cb 0.07 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 3hoy s ALA 777 CO 0.01 -1.00 -0.03 -1.64 0.00 0.00 0.00 175.76 173.09 3hoy s MET 778 N -4.96 2.25 0.00 0.00 -1.94 -0.85 -4.52 119.30 109.29 3hoy s MET 778 Ca 0.59 -1.26 0.00 0.00 -1.71 0.00 0.00 55.69 53.31 3hoy s MET 778 Cb -0.10 -2.23 0.00 0.00 2.01 0.00 0.00 34.83 34.52 3hoy s MET 778 CO 0.41 0.42 0.00 0.41 -0.01 0.00 0.00 175.02 176.25 3hoy n GLY 779 N -0.32 0.16 2.68 -0.03 0.00 -1.26 -3.81 105.19 102.62 3hoy n GLY 779 Ca -0.09 0.53 -0.22 0.00 0.00 0.00 0.00 46.02 46.25 3hoy n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hoy s VAL 780 N 2.81 -0.23 -0.54 1.61 1.01 -1.24 0.03 120.40 123.85 3hoy s VAL 780 Ca 0.00 -0.24 0.24 0.00 0.00 0.00 0.00 61.98 61.98 3hoy s VAL 780 Cb 0.00 -0.71 0.31 0.00 0.00 0.00 0.00 36.38 35.97 3hoy s VAL 780 CO 0.00 -0.32 1.65 2.19 0.00 0.00 0.00 175.10 178.62 3hoy h PHE 781 N 8.35 0.00 -1.34 5.22 -5.15 -1.85 -3.37 116.94 118.80 3hoy h PHE 781 Ca -0.16 0.00 0.13 0.00 -0.20 0.00 0.00 57.97 57.74 3hoy h PHE 781 Cb 1.13 0.00 -0.30 0.00 0.22 0.00 0.00 35.95 37.00 3hoy h PHE 781 CO 0.17 0.00 0.64 -0.51 -2.00 0.00 0.00 178.31 176.61 3hoy s LEU 782 N -5.55 -0.27 0.00 2.10 1.43 -1.26 -4.42 118.68 110.71 3hoy s LEU 782 Ca 0.08 0.49 0.14 0.00 -1.03 0.00 0.00 54.13 53.82 3hoy s LEU 782 Cb 0.08 1.49 0.74 0.00 0.03 0.00 0.00 46.19 48.53 3hoy s LEU 782 CO 0.65 -0.08 1.39 0.35 0.23 0.00 0.00 176.35 178.88 3hoy n THR 783 N 2.21 0.56 -1.06 5.49 -2.24 -1.26 -2.32 114.28 115.66 3hoy n THR 783 Ca -0.13 0.14 -0.02 0.00 -2.27 0.00 0.00 64.05 61.77 3hoy n THR 783 Cb 0.56 -0.90 0.31 0.00 -2.10 0.00 0.00 70.33 68.20 3hoy n THR 783 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3hoy n ASN 784 N -1.27 4.66 -0.31 3.42 6.94 -1.26 -4.53 115.26 122.92 3hoy n ASN 784 Ca 0.07 -3.21 0.16 0.00 -0.02 0.00 0.00 54.58 51.58 3hoy n ASN 784 Cb 0.11 -0.71 0.41 0.00 -2.36 0.00 0.00 39.78 37.24 3hoy n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 3hoy h TYR 785 N 2.59 0.82 -0.16 -2.53 -0.00 -1.85 0.32 116.97 116.16 3hoy h TYR 785 Ca 0.20 0.03 0.05 0.00 0.00 0.00 0.00 58.73 59.00 3hoy h TYR 785 Cb 2.14 -0.25 -0.01 0.00 0.00 0.00 0.00 36.73 38.62 3hoy h TYR 785 CO 1.15 0.19 0.23 -0.91 -0.00 0.00 0.00 178.16 178.82 3hoy h ASN 786 N 0.59 0.00 -0.02 0.10 4.21 -1.87 -2.00 115.58 116.59 3hoy h ASN 786 Ca 0.54 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.05 3hoy h ASN 786 Cb 1.06 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.26 3hoy h ASN 786 CO -0.29 0.00 -0.07 0.52 -1.29 0.00 0.00 177.43 176.31 3hoy n VAL 787 N -3.57 0.00 -3.65 2.81 0.31 0.11 -4.97 118.33 109.37 3hoy n VAL 787 Ca 0.01 -0.47 -0.33 0.00 -0.01 0.00 0.00 64.34 63.55 3hoy n VAL 787 Cb 0.34 1.29 -0.05 0.00 -0.91 0.00 0.00 33.84 34.52 3hoy n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hoy s ARG 788 N -1.41 3.66 -0.44 5.55 0.52 -0.75 -5.03 118.95 121.05 3hoy s ARG 788 Ca 0.17 -0.01 0.05 0.00 -0.52 0.00 0.00 55.73 55.42 3hoy s ARG 788 Cb 0.13 -2.90 0.43 0.00 0.52 0.00 0.00 34.95 33.13 3hoy s ARG 788 CO 0.23 0.50 1.28 -1.33 0.02 0.00 0.00 175.30 176.00 3hoy n MET 789 N 0.37 3.39 -2.62 3.54 2.81 -1.26 -4.99 117.12 118.35 3hoy n MET 789 Ca -0.04 -4.23 -0.33 0.00 -1.81 0.00 0.00 57.70 51.29 3hoy n MET 789 Cb 0.52 -2.26 -0.05 0.00 -0.71 0.00 0.00 33.22 30.71 3hoy n MET 789 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3hoy s ASP 790 N -3.23 6.73 0.09 7.83 3.84 -1.26 -4.84 116.67 125.83 3hoy s ASP 790 Ca 0.50 1.68 -0.30 0.00 -0.00 0.00 0.00 52.55 54.43 3hoy s ASP 790 Cb 0.41 -2.53 -0.06 0.00 -1.38 0.00 0.00 42.92 39.36 3hoy s ASP 790 CO -0.12 -0.51 1.15 0.42 -0.00 0.00 0.00 175.17 176.11 3hoy s THR 791 N -2.32 4.06 0.28 2.11 -4.23 -1.26 -3.95 115.64 110.32 3hoy s THR 791 Ca 0.62 1.55 0.00 0.00 -1.18 0.00 0.00 61.69 62.67 3hoy s THR 791 Cb -0.10 -3.99 0.00 0.00 1.34 0.00 0.00 72.50 69.75 3hoy s THR 791 CO 0.21 0.16 0.00 0.80 -0.54 0.00 0.00 174.62 175.25 3hoy n MET 792 N 3.51 -3.83 -3.63 3.99 0.00 -1.20 -4.83 117.12 111.13 3hoy n MET 792 Ca 0.07 2.76 -0.07 0.00 -0.00 0.00 0.00 57.70 60.46 3hoy n MET 792 Cb 0.47 -3.19 -0.07 0.00 0.00 0.00 0.00 33.22 30.43 3hoy n MET 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hoy s ALA 793 N -1.71 -2.04 -0.11 -5.12 0.00 -0.90 -4.92 121.76 106.94 3hoy s ALA 793 Ca 0.00 1.79 0.02 0.00 0.00 0.00 0.00 51.96 53.77 3hoy s ALA 793 Cb 0.00 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.70 3hoy s ALA 793 CO 0.00 -0.21 -0.18 -0.80 0.00 0.00 0.00 175.76 174.57 3hoy s ASN 794 N -0.07 2.68 -0.09 0.00 0.01 -1.26 -0.88 114.94 115.33 3hoy s ASN 794 Ca 0.04 -0.49 0.04 0.00 -0.71 0.00 0.00 52.86 51.74 3hoy s ASN 794 Cb -0.04 -1.22 -0.01 0.00 0.41 0.00 0.00 41.25 40.39 3hoy s ASN 794 CO -0.08 0.05 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.72 3hoy s ILE 795 N 0.84 2.30 0.02 0.60 1.09 -1.02 -4.28 121.20 120.75 3hoy s ILE 795 Ca -0.09 -0.95 -0.30 0.00 -1.10 0.00 0.00 60.65 58.21 3hoy s ILE 795 Cb -0.15 -1.88 -0.04 0.00 -1.06 0.00 0.00 42.46 39.32 3hoy s ILE 795 CO -0.00 0.56 1.13 -0.22 -0.10 0.00 0.00 174.94 176.30 3hoy s LEU 796 N 0.13 4.35 0.07 2.97 2.96 0.10 0.33 118.68 129.60 3hoy s LEU 796 Ca -0.11 1.86 -0.20 0.00 -0.22 0.00 0.00 54.13 55.46 3hoy s LEU 796 Cb -0.16 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 3hoy s LEU 796 CO 0.06 -0.43 1.32 1.88 -1.32 0.00 0.00 176.35 177.87 3hoy h TYR 797 N 6.92 -0.94 -3.23 5.38 -1.99 -1.70 -3.36 116.97 118.05 3hoy h TYR 797 Ca -0.40 0.03 -0.63 0.00 2.00 0.00 0.00 58.73 59.73 3hoy h TYR 797 Cb 1.20 0.41 -0.41 0.00 2.00 0.00 0.00 36.73 39.94 3hoy h TYR 797 CO 0.68 -0.33 -0.62 0.71 -0.00 0.00 0.00 178.16 178.61 3hoy s TYR 798 N -4.60 3.27 0.56 4.88 4.12 -1.26 -5.08 117.35 119.24 3hoy s TYR 798 Ca -0.09 -3.21 -0.20 0.00 0.02 0.00 0.00 57.07 53.59 3hoy s TYR 798 Cb 0.04 -2.71 -0.04 0.00 -1.52 0.00 0.00 41.96 37.72 3hoy s TYR 798 CO 0.36 -0.66 1.25 -2.14 0.02 0.00 0.00 175.55 174.38 3hoy s PRO 799 N -0.74 3.11 -0.04 -1.71 0.02 -1.26 -4.90 135.00 129.48 3hoy s PRO 799 Ca 0.20 1.97 0.01 0.00 0.02 0.00 0.00 61.00 63.20 3hoy s PRO 799 Cb -0.17 -2.10 0.02 0.00 0.02 0.00 0.00 34.50 32.28 3hoy s PRO 799 CO -0.07 -1.14 -0.02 -0.65 -0.33 0.00 0.00 177.00 174.79 3hoy s GLN 800 N -3.10 0.54 0.29 5.54 -0.21 -1.06 -5.04 119.66 116.62 3hoy s GLN 800 Ca 0.74 -0.00 -0.29 0.00 0.02 0.00 0.00 55.36 55.82 3hoy s GLN 800 Cb -0.34 -0.65 -0.10 0.00 1.00 0.00 0.00 33.01 32.92 3hoy s GLN 800 CO 0.38 -0.11 1.30 -1.59 -2.12 0.00 0.00 175.29 173.15 3hoy s LYS 801 N 0.99 4.39 0.36 2.91 -2.85 -1.26 -4.53 119.74 119.75 3hoy s LYS 801 Ca -0.10 2.14 -0.28 0.00 -1.00 0.00 0.00 55.97 56.73 3hoy s LYS 801 Cb -0.14 -3.12 -0.10 0.00 -2.06 0.00 0.00 37.83 32.42 3hoy s LYS 801 CO -0.01 -0.18 1.31 -1.25 0.10 0.00 0.00 175.35 175.32 3hoy s PRO 802 N -1.23 4.21 0.00 1.78 0.04 -1.26 -4.84 135.00 133.70 3hoy s PRO 802 Ca 0.51 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.76 3hoy s PRO 802 Cb -0.38 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.20 3hoy s PRO 802 CO 0.47 -0.31 0.16 1.28 0.04 0.00 0.00 177.00 178.64 3hoy n LEU 803 N 0.54 0.05 -4.68 -3.56 4.77 -1.26 -4.52 117.00 108.35 3hoy n LEU 803 Ca 0.01 0.16 -0.47 0.00 -0.03 0.00 0.00 56.01 55.68 3hoy n LEU 803 Cb 0.42 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 3hoy n LEU 803 CO 0.58 0.00 1.36 0.61 -1.33 0.00 0.00 177.39 178.61 3hoy n GLY 804 N -0.01 1.31 0.00 -0.72 0.00 -1.26 -3.78 105.19 100.72 3hoy n GLY 804 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.79 3hoy n GLY 804 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hoy n THR 805 N 4.38 0.00 -4.17 2.61 -2.24 0.14 -4.84 114.28 110.16 3hoy n THR 805 Ca 0.20 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.82 3hoy n THR 805 Cb 0.29 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.38 3hoy n THR 805 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hoy s THR 806 N -1.09 0.50 0.59 4.28 2.01 -1.26 0.09 115.64 120.76 3hoy s THR 806 Ca 0.00 -0.44 0.30 0.00 0.31 0.00 0.00 61.69 61.86 3hoy s THR 806 Cb 0.00 -0.45 0.36 0.00 0.01 0.00 0.00 72.50 72.42 3hoy s THR 806 CO 0.00 0.02 2.24 0.03 -0.69 0.00 0.00 174.62 176.22 3hoy h ARG 807 N 5.66 0.00 0.00 4.92 2.47 -1.95 -1.21 114.38 124.28 3hoy h ARG 807 Ca -0.30 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.28 3hoy h ARG 807 Cb 1.19 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.49 3hoy h ARG 807 CO 0.48 0.00 -0.68 0.00 0.56 0.00 0.00 179.97 180.33 3hoy h ALA 808 N 1.96 0.56 -0.98 0.04 0.00 -1.95 -3.17 119.26 115.71 3hoy h ALA 808 Ca 0.01 -0.62 0.08 0.00 0.00 0.00 0.00 54.91 54.38 3hoy h ALA 808 Cb 0.08 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 3hoy h ALA 808 CO -0.00 0.85 0.63 0.52 0.00 0.00 0.00 179.25 181.25 3hoy h MET 809 N 0.00 1.05 -0.72 0.00 2.86 -1.41 0.10 114.93 116.82 3hoy h MET 809 Ca -0.01 -0.06 0.21 0.00 -2.06 0.00 0.00 59.70 57.78 3hoy h MET 809 Cb 1.52 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.91 3hoy h MET 809 CO 0.09 0.70 1.06 1.49 1.06 0.00 0.00 176.91 181.31 3hoy h GLU 810 N 1.08 0.00 0.00 1.72 4.81 -1.60 0.86 114.58 121.46 3hoy h GLU 810 Ca 0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 3hoy h GLU 810 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3hoy h GLU 810 CO -0.19 0.00 -0.98 0.66 -0.73 0.00 0.00 179.01 177.78 3hoy n TYR 811 N -3.13 0.00 0.79 0.92 4.02 0.01 -4.26 117.16 115.52 3hoy n TYR 811 Ca 0.16 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.14 3hoy n TYR 811 Cb 1.29 -0.12 0.27 0.00 -0.02 0.00 0.00 39.34 40.76 3hoy n TYR 811 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3hoy n LEU 812 N -1.55 2.29 -1.71 7.72 4.77 0.29 -4.90 117.00 123.90 3hoy n LEU 812 Ca 0.00 -1.04 -0.17 0.00 -0.03 0.00 0.00 56.01 54.77 3hoy n LEU 812 Cb 0.23 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 3hoy n LEU 812 CO 0.24 0.52 -0.18 0.29 -1.33 0.00 0.00 177.39 176.93 3hoy n LYS 813 N 0.73 -1.50 0.13 3.23 4.76 -0.51 -4.83 118.16 120.17 3hoy n LYS 813 Ca 0.16 0.98 0.05 0.00 -2.87 0.00 0.00 58.31 56.63 3hoy n LYS 813 Cb 0.40 -5.37 0.50 0.00 -1.84 0.00 0.00 35.03 28.72 3hoy n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3hoy h PHE 814 N 0.00 0.26 -0.09 2.13 3.57 -1.81 -1.24 116.94 119.76 3hoy h PHE 814 Ca -0.37 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.02 3hoy h PHE 814 Cb 1.17 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 3hoy h PHE 814 CO 0.52 0.21 -0.46 0.00 -2.23 0.00 0.00 178.31 176.35 3hoy h ARG 815 N 0.27 0.21 0.06 1.11 3.08 -1.89 -2.21 114.38 115.01 3hoy h ARG 815 Ca 0.07 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3hoy h ARG 815 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3hoy h ARG 815 CO -0.01 0.63 -0.03 0.93 -1.07 0.00 0.00 179.97 180.42 3hoy h GLU 816 N 0.17 -0.08 -2.42 0.04 3.07 -1.64 -3.38 114.58 110.34 3hoy h GLU 816 Ca 0.01 0.01 -0.60 0.00 -0.50 0.00 0.00 59.36 58.27 3hoy h GLU 816 Cb 0.88 0.02 -0.42 0.00 -0.84 0.00 0.00 28.75 28.39 3hoy h GLU 816 CO 0.07 0.35 -0.64 1.28 -1.40 0.00 0.00 179.01 178.66 3hoy n LEU 817 N -4.92 3.13 -4.21 1.33 4.77 -0.74 -5.07 117.00 111.28 3hoy n LEU 817 Ca -0.08 -5.29 -0.30 0.00 -0.03 0.00 0.00 56.01 50.31 3hoy n LEU 817 Cb 0.24 -0.54 0.29 0.00 -2.33 0.00 0.00 43.42 41.08 3hoy n LEU 817 CO 0.32 1.97 0.34 -0.81 -1.33 0.00 0.00 177.39 177.89 3hoy n PRO 818 N 1.26 -4.81 -2.76 3.23 -0.04 -0.83 -4.66 135.00 126.38 3hoy n PRO 818 Ca 0.27 -1.43 -0.09 0.00 -0.04 0.00 0.00 63.50 62.20 3hoy n PRO 818 Cb 0.41 -1.91 0.08 0.00 -0.04 0.00 0.00 33.50 32.03 3hoy n PRO 818 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hoy n ALA 819 N -5.81 1.05 0.00 0.55 0.00 -1.26 -3.65 120.51 111.39 3hoy n ALA 819 Ca 0.13 -1.90 0.00 0.00 0.00 0.00 0.00 53.44 51.67 3hoy n ALA 819 Cb 0.59 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3hoy n ALA 819 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hoy n GLY 820 N -0.10 -1.19 3.21 0.00 0.00 -1.25 -4.58 105.19 101.27 3hoy n GLY 820 Ca 0.05 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 3hoy n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hoy s GLN 821 N -1.20 0.59 -0.64 1.61 -0.21 -0.79 -2.57 119.66 116.46 3hoy s GLN 821 Ca 0.00 -0.16 -0.26 0.00 0.02 0.00 0.00 55.36 54.96 3hoy s GLN 821 Cb 0.00 0.26 0.04 0.00 1.00 0.00 0.00 33.01 34.31 3hoy s GLN 821 CO 0.00 -0.15 1.14 -0.80 -2.12 0.00 0.00 175.29 173.35 3hoy s ASN 822 N -1.17 6.30 -0.01 5.90 0.01 -1.26 -1.41 114.94 123.30 3hoy s ASN 822 Ca -0.12 -0.32 -0.06 0.00 -0.71 0.00 0.00 52.86 51.65 3hoy s ASN 822 Cb -0.05 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 3hoy s ASN 822 CO 0.03 -1.54 0.24 0.00 -1.51 0.00 0.00 177.10 174.32 3hoy s ALA 823 N 4.87 3.88 -0.27 0.60 0.00 -0.78 -4.83 121.76 125.23 3hoy s ALA 823 Ca 0.35 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 3hoy s ALA 823 Cb -0.10 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 21.02 3hoy s ALA 823 CO 0.19 0.67 1.05 0.42 0.00 0.00 0.00 175.76 178.08 3hoy s ILE 824 N -1.28 4.61 -0.10 0.00 -1.09 -1.26 -1.56 121.20 120.52 3hoy s ILE 824 Ca 0.26 1.89 0.02 0.00 -2.23 0.00 0.00 60.65 60.59 3hoy s ILE 824 Cb -0.13 -4.35 -0.01 0.00 -1.58 0.00 0.00 42.46 36.39 3hoy s ILE 824 CO 0.15 -0.30 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.70 3hoy s VAL 825 N 3.38 2.68 -0.19 2.92 1.01 -0.62 0.23 120.40 129.80 3hoy s VAL 825 Ca 0.44 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 3hoy s VAL 825 Cb -0.14 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 3hoy s VAL 825 CO 0.10 0.55 -0.04 0.00 0.00 0.00 0.00 175.10 175.70 3hoy s ALA 826 N 0.17 2.86 -1.18 5.51 0.00 -0.51 -2.37 121.76 126.24 3hoy s ALA 826 Ca -0.10 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.71 3hoy s ALA 826 Cb -0.16 -1.63 0.21 0.00 0.00 0.00 0.00 23.12 21.55 3hoy s ALA 826 CO 0.06 -0.19 1.41 -0.89 0.00 0.00 0.00 175.76 176.15 3hoy n ILE 827 N 4.33 4.45 -4.28 0.00 5.41 -1.14 -2.02 119.36 126.11 3hoy n ILE 827 Ca -0.18 -4.98 -0.17 0.00 1.00 0.00 0.00 62.75 58.43 3hoy n ILE 827 Cb 0.52 -2.45 -0.09 0.00 -0.71 0.00 0.00 39.64 36.90 3hoy n ILE 827 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hoy s ALA 828 N 0.20 1.69 -0.10 -1.39 0.00 -0.90 -4.49 121.76 116.77 3hoy s ALA 828 Ca 0.38 -1.81 -0.08 0.00 0.00 0.00 0.00 51.96 50.45 3hoy s ALA 828 Cb -0.03 1.29 -0.04 0.00 0.00 0.00 0.00 23.12 24.34 3hoy s ALA 828 CO -0.01 -0.56 0.18 0.00 0.00 0.00 0.00 175.76 175.36 3hoy n TYR 830 N 1.89 0.00 0.27 0.00 9.36 -1.26 -4.89 117.16 122.53 3hoy n TYR 830 Ca -0.19 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.13 3hoy n TYR 830 Cb 0.55 0.00 0.52 0.00 -0.63 0.00 0.00 39.34 39.77 3hoy n TYR 830 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3hoy h SER 831 N 0.00 0.00 -0.07 2.98 4.64 -1.99 -3.43 113.55 115.68 3hoy h SER 831 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hoy h SER 831 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hoy h SER 831 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3hoy n GLY 832 N -1.28 0.92 0.73 -0.77 0.00 -1.26 -4.96 105.19 98.57 3hoy n GLY 832 Ca -0.01 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.51 3hoy n GLY 832 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hoy n TYR 833 N -2.86 0.72 -1.30 1.61 4.02 -1.26 -4.48 117.16 113.61 3hoy n TYR 833 Ca 0.00 -0.81 0.06 0.00 -0.01 0.00 0.00 57.90 57.14 3hoy n TYR 833 Cb 0.33 -0.24 0.08 0.00 -0.02 0.00 0.00 39.34 39.50 3hoy n TYR 833 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3hoy n ASN 834 N -0.42 1.52 -4.76 7.72 6.94 -1.26 -4.40 115.26 120.60 3hoy n ASN 834 Ca 0.18 -2.62 -0.29 0.00 -0.02 0.00 0.00 54.58 51.83 3hoy n ASN 834 Cb 0.76 -0.32 0.13 0.00 -2.36 0.00 0.00 39.78 37.99 3hoy n ASN 834 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3hoy s GLN 835 N -1.78 1.22 -1.41 -3.83 -0.21 -1.25 -3.63 119.66 108.77 3hoy s GLN 835 Ca 0.19 0.47 -0.14 0.00 0.02 0.00 0.00 55.36 55.90 3hoy s GLN 835 Cb 0.17 -1.83 0.02 0.00 1.00 0.00 0.00 33.01 32.36 3hoy s GLN 835 CO 0.02 -2.18 0.29 0.39 -2.12 0.00 0.00 175.29 171.69 3hoy n GLU 836 N -3.78 -0.72 -3.15 2.91 -0.58 -1.26 -2.54 120.64 111.52 3hoy n GLU 836 Ca 0.06 0.09 -0.14 0.00 -0.42 0.00 0.00 57.16 56.76 3hoy n GLU 836 Cb 0.58 -3.17 0.07 0.00 -0.57 0.00 0.00 31.44 28.35 3hoy n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hoy n ASP 837 N -2.59 -2.11 -3.93 1.62 8.00 -1.26 -5.02 116.55 111.27 3hoy n ASP 837 Ca -0.24 -0.50 -0.10 0.00 0.71 0.00 0.00 54.79 54.66 3hoy n ASP 837 Cb 0.64 -4.21 -0.11 0.00 -0.02 0.00 0.00 41.12 37.43 3hoy n ASP 837 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hoy s SER 838 N -4.07 0.13 0.32 -2.24 1.04 -1.05 -3.11 113.70 104.71 3hoy s SER 838 Ca 0.01 -0.32 0.09 0.00 0.48 0.00 0.00 55.95 56.21 3hoy s SER 838 Cb -0.00 0.13 -0.06 0.00 0.10 0.00 0.00 66.02 66.19 3hoy s SER 838 CO 0.58 -0.28 -0.09 0.00 0.98 0.00 0.00 173.24 174.44 3hoy s MET 839 N -1.21 1.71 -0.16 4.02 0.23 -0.34 -3.93 119.30 119.61 3hoy s MET 839 Ca -0.13 -1.87 -0.07 0.00 -1.03 0.00 0.00 55.69 52.59 3hoy s MET 839 Cb -0.08 -1.52 -0.04 0.00 -1.53 0.00 0.00 34.83 31.67 3hoy s MET 839 CO -0.00 0.12 0.07 0.42 -2.03 0.00 0.00 175.02 173.60 3hoy s ILE 840 N -2.74 4.85 0.02 3.16 1.01 -1.10 -0.65 121.20 125.74 3hoy s ILE 840 Ca 0.31 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.00 3hoy s ILE 840 Cb 0.02 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 3hoy s ILE 840 CO 0.15 0.50 -0.15 -0.32 0.00 0.00 0.00 174.94 175.12 3hoy s MET 841 N 0.01 2.26 -0.21 2.79 1.75 -0.94 -0.20 119.30 124.77 3hoy s MET 841 Ca 0.06 -0.87 -0.29 0.00 -1.25 0.00 0.00 55.69 53.34 3hoy s MET 841 Cb -0.12 -2.29 -0.03 0.00 2.84 0.00 0.00 34.83 35.23 3hoy s MET 841 CO 0.01 0.57 1.60 1.21 -0.65 0.00 0.00 175.02 177.76 3hoy s ASN 842 N -1.31 6.43 0.12 1.11 2.47 0.45 -2.10 114.94 122.10 3hoy s ASN 842 Ca 0.15 1.67 -0.16 0.00 0.42 0.00 0.00 52.86 54.94 3hoy s ASN 842 Cb -0.11 -2.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.14 3hoy s ASN 842 CO 0.05 -1.21 1.61 -0.61 -3.72 0.00 0.00 177.10 173.22 3hoy h GLN 843 N 10.51 0.62 -0.54 0.43 5.75 0.34 -2.58 115.11 129.65 3hoy h GLN 843 Ca -0.34 -0.16 0.11 0.00 -0.15 0.00 0.00 58.65 58.11 3hoy h GLN 843 Cb 1.15 -0.08 -0.09 0.00 1.07 0.00 0.00 27.48 29.53 3hoy h GLN 843 CO 1.00 0.67 -0.02 0.77 -2.65 0.00 0.00 178.83 178.59 3hoy h SER 844 N 0.47 -0.29 -0.71 -0.69 0.02 -1.91 0.19 113.55 110.64 3hoy h SER 844 Ca 0.12 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3hoy h SER 844 Cb 0.34 0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.10 3hoy h SER 844 CO 0.00 -0.11 0.46 0.28 -1.14 0.00 0.00 176.83 176.33 3hoy h SER 845 N 0.09 0.84 0.05 3.07 0.02 -1.85 -0.31 113.55 115.46 3hoy h SER 845 Ca 0.28 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 3hoy h SER 845 Cb 0.43 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 3hoy h SER 845 CO -0.48 0.62 -0.04 0.40 -1.14 0.00 0.00 176.83 176.19 3hoy h ILE 846 N 0.98 0.92 0.07 3.27 2.04 -0.24 0.16 117.51 124.70 3hoy h ILE 846 Ca 0.26 -0.15 -0.19 0.00 1.00 0.00 0.00 64.86 65.79 3hoy h ILE 846 Cb -0.09 1.08 0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3hoy h ILE 846 CO -0.05 0.04 -0.77 0.44 0.00 0.00 0.00 178.15 177.81 3hoy h ASP 847 N 0.00 0.57 0.00 1.72 5.19 -0.41 -3.11 116.42 120.37 3hoy h ASP 847 Ca -0.00 -0.83 0.00 0.00 -0.62 0.00 0.00 57.03 55.57 3hoy h ASP 847 Cb 0.08 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.41 3hoy h ASP 847 CO 0.01 1.34 0.00 0.54 -3.12 0.00 0.00 179.24 178.01 3hoy n ARG 848 N -4.12 0.47 -0.02 3.56 1.74 -0.74 -4.74 116.66 112.80 3hoy n ARG 848 Ca -0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 3hoy n ARG 848 Cb 0.77 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 31.20 3hoy n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hoy n GLY 849 N -0.01 0.54 3.65 -0.13 0.00 -1.13 -5.06 105.19 103.05 3hoy n GLY 849 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3hoy n GLY 849 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hoy n LEU 850 N 0.00 2.79 -1.39 0.99 7.94 0.52 -2.92 117.00 124.93 3hoy n LEU 850 Ca 0.00 1.13 -0.09 0.00 -1.11 0.00 0.00 56.01 55.93 3hoy n LEU 850 Cb 0.00 -1.38 -0.04 0.00 0.53 0.00 0.00 43.42 42.53 3hoy n LEU 850 CO 0.00 -0.58 -0.09 0.49 -1.11 0.00 0.00 177.39 176.09 3hoy n PHE 851 N 2.27 -0.66 -1.73 1.96 0.99 -1.26 -4.60 117.46 114.43 3hoy n PHE 851 Ca 0.14 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.28 3hoy n PHE 851 Cb 0.29 -2.14 0.04 0.00 -1.00 0.00 0.00 39.48 36.67 3hoy n PHE 851 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3hoy s ARG 852 N -3.02 3.06 0.09 -1.08 0.52 -1.15 -4.37 118.95 113.00 3hoy s ARG 852 Ca 0.00 0.75 -0.15 0.00 -0.52 0.00 0.00 55.73 55.82 3hoy s ARG 852 Cb 0.00 -2.02 0.03 0.00 0.52 0.00 0.00 34.95 33.48 3hoy s ARG 852 CO 0.00 -0.96 0.34 -1.54 0.02 0.00 0.00 175.30 173.16 3hoy s SER 853 N -4.05 -0.15 0.30 0.23 1.04 -0.76 -1.85 113.70 108.45 3hoy s SER 853 Ca 0.57 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.68 3hoy s SER 853 Cb -0.12 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 3hoy s SER 853 CO 0.54 -0.75 0.53 -0.76 0.98 0.00 0.00 173.24 173.78 3hoy s LEU 854 N -2.53 4.06 -0.03 2.42 1.43 0.15 -0.29 118.68 123.90 3hoy s LEU 854 Ca 0.00 0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 53.66 3hoy s LEU 854 Cb 0.01 -3.39 0.03 0.00 0.03 0.00 0.00 46.19 42.87 3hoy s LEU 854 CO -0.08 -0.21 0.06 0.12 0.23 0.00 0.00 176.35 176.46 3hoy s PHE 855 N -2.14 0.02 0.26 0.29 5.36 0.26 -2.45 117.98 119.58 3hoy s PHE 855 Ca 0.42 0.23 0.10 0.00 -0.96 0.00 0.00 56.93 56.72 3hoy s PHE 855 Cb -0.10 -0.34 -0.05 0.00 -0.34 0.00 0.00 43.02 42.19 3hoy s PHE 855 CO 0.32 -0.15 -0.09 -0.06 -1.46 0.00 0.00 175.22 173.78 3hoy s PHE 856 N 1.64 2.53 -0.17 10.12 0.40 -0.06 -0.35 117.98 132.09 3hoy s PHE 856 Ca -0.02 -0.27 -0.18 0.00 -0.60 0.00 0.00 56.93 55.87 3hoy s PHE 856 Cb -0.12 -1.13 0.05 0.00 0.51 0.00 0.00 43.02 42.32 3hoy s PHE 856 CO -0.03 0.64 0.50 0.50 0.70 0.00 0.00 175.22 177.52 3hoy s ARG 857 N -3.46 0.61 -0.13 0.44 3.52 -0.68 -2.12 118.95 117.13 3hoy s ARG 857 Ca 0.30 0.62 -0.00 0.00 -0.13 0.00 0.00 55.73 56.51 3hoy s ARG 857 Cb -0.06 0.30 0.03 0.00 -1.56 0.00 0.00 34.95 33.65 3hoy s ARG 857 CO 0.17 -0.09 -0.08 -1.12 -0.81 0.00 0.00 175.30 173.38 3hoy s SER 858 N 0.09 2.35 0.11 -2.12 0.01 -1.25 -0.94 113.70 111.96 3hoy s SER 858 Ca -0.01 -0.39 -0.16 0.00 1.31 0.00 0.00 55.95 56.70 3hoy s SER 858 Cb -0.03 -0.88 -0.07 0.00 0.21 0.00 0.00 66.02 65.25 3hoy s SER 858 CO 0.01 -0.13 0.54 -0.31 0.41 0.00 0.00 173.24 173.77 3hoy s TYR 859 N 1.68 3.68 0.30 2.43 1.51 -0.55 -4.61 117.35 121.79 3hoy s TYR 859 Ca 0.04 1.12 0.07 0.00 -1.01 0.00 0.00 57.07 57.30 3hoy s TYR 859 Cb -0.13 -2.40 -0.06 0.00 -0.11 0.00 0.00 41.96 39.26 3hoy s TYR 859 CO -0.08 0.50 -0.07 1.41 -1.11 0.00 0.00 175.55 176.20 3hoy s MET 860 N -1.61 1.63 -0.15 -0.62 1.75 -1.26 -0.71 119.30 118.32 3hoy s MET 860 Ca 0.34 -1.83 -0.31 0.00 -1.25 0.00 0.00 55.69 52.64 3hoy s MET 860 Cb -0.17 -1.30 0.13 0.00 2.84 0.00 0.00 34.83 36.33 3hoy s MET 860 CO 0.19 0.06 1.06 0.34 -0.65 0.00 0.00 175.02 176.02 3hoy s ASP 861 N -3.49 -0.29 0.34 1.11 -1.08 -0.67 -5.00 116.67 107.59 3hoy s ASP 861 Ca 0.30 0.21 0.03 0.00 -0.52 0.00 0.00 52.55 52.58 3hoy s ASP 861 Cb 0.03 0.26 -0.05 0.00 -1.46 0.00 0.00 42.92 41.70 3hoy s ASP 861 CO 0.13 -0.34 0.08 -1.10 0.52 0.00 0.00 175.17 174.47 3hoy s GLN 862 N -1.69 1.68 -0.46 4.34 -0.21 -1.26 -1.83 119.66 120.24 3hoy s GLN 862 Ca 0.03 -1.96 -0.03 0.00 0.02 0.00 0.00 55.36 53.42 3hoy s GLN 862 Cb -0.01 -0.68 0.12 0.00 1.00 0.00 0.00 33.01 33.44 3hoy s GLN 862 CO -0.03 -0.29 0.26 -1.21 -2.12 0.00 0.00 175.29 171.90 3hoy s GLU 863 N -3.87 2.13 0.22 2.91 2.02 -1.11 -5.00 118.70 116.00 3hoy s GLU 863 Ca 0.33 -1.99 -0.32 0.00 0.02 0.00 0.00 54.97 53.01 3hoy s GLU 863 Cb 0.07 -3.61 -0.13 0.00 0.10 0.00 0.00 34.13 30.55 3hoy s GLU 863 CO 0.15 -1.10 1.46 1.63 0.02 0.00 0.00 175.26 177.42 3hoy n LYS 864 N 4.33 2.08 -4.03 1.61 5.02 -1.26 -4.61 118.16 121.30 3hoy n LYS 864 Ca 0.00 0.74 -0.23 0.00 -2.02 0.00 0.00 58.31 56.80 3hoy n LYS 864 Cb 0.40 -2.43 -0.04 0.00 -0.02 0.00 0.00 35.03 32.95 3hoy n LYS 864 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3hoy s LYS 865 N -0.09 3.19 -0.28 1.97 2.36 -1.26 -3.21 119.74 122.43 3hoy s LYS 865 Ca 0.71 -0.83 -0.00 0.00 -2.55 0.00 0.00 55.97 53.30 3hoy s LYS 865 Cb -0.65 -2.77 0.09 0.00 -1.05 0.00 0.00 37.83 33.45 3hoy s LYS 865 CO 0.47 0.45 0.06 0.71 1.55 0.00 0.00 175.35 178.59 3hoy s TYR 866 N -1.93 1.97 0.00 4.03 1.51 -0.43 -4.98 117.35 117.52 3hoy s TYR 866 Ca 0.33 -1.76 0.00 0.00 -1.01 0.00 0.00 57.07 54.63 3hoy s TYR 866 Cb -0.09 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.02 3hoy s TYR 866 CO 0.27 -0.83 0.00 0.41 -1.11 0.00 0.00 175.55 174.29 3hoy n GLY 867 N 4.78 0.00 2.70 0.71 0.00 -1.26 -0.46 105.19 111.66 3hoy n GLY 867 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3hoy n GLY 867 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hoy n MET 868 N -0.57 4.46 -2.33 1.61 2.81 -1.26 -4.91 117.12 116.93 3hoy n MET 868 Ca 0.00 -3.87 0.00 0.00 -1.81 0.00 0.00 57.70 52.02 3hoy n MET 868 Cb 0.00 -2.67 0.00 0.00 -0.71 0.00 0.00 33.22 29.84 3hoy n MET 868 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3hoy n SER 869 N 1.95 -5.28 -3.64 7.83 7.64 0.40 -5.06 113.62 117.45 3hoy n SER 869 Ca 0.47 0.54 -0.10 0.00 1.01 0.00 0.00 58.87 60.80 3hoy n SER 869 Cb 0.29 -1.13 -0.07 0.00 -1.01 0.00 0.00 64.21 62.29 3hoy n SER 869 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hoy s ILE 870 N -0.29 -0.00 0.26 0.44 1.09 -1.21 -4.97 121.20 116.52 3hoy s ILE 870 Ca 0.00 0.00 0.01 0.00 -1.10 0.00 0.00 60.65 59.56 3hoy s ILE 870 Cb 0.00 -0.99 -0.03 0.00 -1.06 0.00 0.00 42.46 40.38 3hoy s ILE 870 CO 0.00 0.00 0.23 -0.89 -0.10 0.00 0.00 174.94 174.18 3hoy s THR 871 N 1.17 0.00 0.32 2.92 2.01 -1.26 -1.32 115.64 119.47 3hoy s THR 871 Ca -0.06 -1.94 0.02 0.00 0.31 0.00 0.00 61.69 60.02 3hoy s THR 871 Cb -0.05 -2.49 0.06 0.00 0.01 0.00 0.00 72.50 70.03 3hoy s THR 871 CO -0.12 0.00 0.44 -0.62 -0.69 0.00 0.00 174.62 173.63 3hoy n GLU 872 N -0.42 0.54 -3.81 4.92 1.02 -1.20 -4.33 120.64 117.36 3hoy n GLU 872 Ca 0.04 -1.44 -0.12 0.00 -0.02 0.00 0.00 57.16 55.62 3hoy n GLU 872 Cb 0.64 -0.22 -0.11 0.00 -0.02 0.00 0.00 31.44 31.73 3hoy n GLU 872 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hoy s THR 873 N -1.07 0.02 -0.99 2.62 2.01 -0.56 -4.93 115.64 112.73 3hoy s THR 873 Ca 0.31 -0.15 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 3hoy s THR 873 Cb -0.02 -0.33 0.25 0.00 0.01 0.00 0.00 72.50 72.41 3hoy s THR 873 CO 0.20 -0.08 0.97 -0.36 -0.69 0.00 0.00 174.62 174.66 3hoy s PHE 874 N -0.23 4.06 0.24 4.92 2.99 -1.26 -1.13 117.98 127.58 3hoy s PHE 874 Ca -0.03 -2.40 0.00 0.00 0.00 0.00 0.00 56.93 54.50 3hoy s PHE 874 Cb -0.03 -3.83 -0.03 0.00 0.00 0.00 0.00 43.02 39.13 3hoy s PHE 874 CO 0.01 -0.97 0.20 -1.83 -0.00 0.00 0.00 175.22 172.63 3hoy s GLU 875 N -0.66 1.39 -0.68 0.44 -1.05 -0.90 -3.47 118.70 113.77 3hoy s GLU 875 Ca 0.25 -1.70 -0.11 0.00 -0.15 0.00 0.00 54.97 53.26 3hoy s GLU 875 Cb -0.10 0.30 0.18 0.00 -0.44 0.00 0.00 34.13 34.07 3hoy s GLU 875 CO -0.08 -0.49 0.59 0.21 0.95 0.00 0.00 175.26 176.44 3hoy s LYS 876 N -3.93 3.11 0.99 -4.83 2.20 -1.26 -3.71 119.74 112.31 3hoy s LYS 876 Ca 0.38 -2.25 -0.17 0.00 -0.36 0.00 0.00 55.97 53.58 3hoy s LYS 876 Cb 0.05 -4.18 0.25 0.00 -1.51 0.00 0.00 37.83 32.44 3hoy s LYS 876 CO 0.16 -1.26 0.86 -0.35 -0.36 0.00 0.00 175.35 174.41 3hoy n PRO 877 N 4.22 -2.80 -3.64 4.03 -0.04 -1.26 -5.09 135.00 130.42 3hoy n PRO 877 Ca 0.05 -1.38 -0.06 0.00 -0.04 0.00 0.00 63.50 62.06 3hoy n PRO 877 Cb 0.43 -1.32 -0.07 0.00 -0.04 0.00 0.00 33.50 32.51 3hoy n PRO 877 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3hoy s GLN 878 N -4.96 0.46 0.00 0.54 1.03 -1.26 -5.10 119.66 110.38 3hoy s GLN 878 Ca 0.56 0.65 0.00 0.00 0.04 0.00 0.00 55.36 56.62 3hoy s GLN 878 Cb -0.06 0.17 0.00 0.00 0.03 0.00 0.00 33.01 33.15 3hoy s GLN 878 CO 0.43 -0.07 0.00 0.54 -2.54 0.00 0.00 175.29 173.65 3hoy n ARG 879 N 2.92 0.00 -3.34 9.60 5.12 -1.26 -4.81 116.66 124.89 3hoy n ARG 879 Ca -0.15 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.62 3hoy n ARG 879 Cb 0.57 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.87 3hoy n ARG 879 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3hoy n THR 880 N 0.00 -7.17 0.00 0.55 -1.04 -1.26 -3.91 114.28 101.45 3hoy n THR 880 Ca 0.00 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3hoy n THR 880 Cb 0.00 -5.19 0.00 0.00 -1.82 0.00 0.00 70.33 63.32 3hoy n THR 880 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3hoy n ASN 881 N -1.59 0.00 -0.14 8.00 4.13 -1.26 -3.16 115.26 121.23 3hoy n ASN 881 Ca -0.10 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.12 3hoy n ASN 881 Cb 0.59 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.79 3hoy n ASN 881 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3hoy n THR 882 N 0.00 -0.23 0.00 3.41 -1.04 -1.26 -4.84 114.28 110.31 3hoy n THR 882 Ca 0.00 0.85 0.00 0.00 -2.04 0.00 0.00 64.05 62.86 3hoy n THR 882 Cb 0.00 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 3hoy n THR 882 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3hoy n LEU 883 N -4.36 0.00 -3.84 -4.42 4.77 -1.25 -4.84 117.00 103.06 3hoy n LEU 883 Ca 0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.59 3hoy n LEU 883 Cb 0.09 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 40.89 3hoy n LEU 883 CO -0.05 0.00 1.84 0.54 -1.33 0.00 0.00 177.39 178.38 3hoy n ARG 884 N -1.96 1.20 0.00 3.23 5.12 -1.26 -4.72 116.66 118.27 3hoy n ARG 884 Ca 0.00 -1.82 0.00 0.00 -1.93 0.00 0.00 57.85 54.10 3hoy n ARG 884 Cb 0.00 -3.05 0.00 0.00 -1.16 0.00 0.00 32.46 28.25 3hoy n ARG 884 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3hoy n MET 885 N 7.48 0.00 -3.53 5.56 2.81 -1.26 -2.78 117.12 125.40 3hoy n MET 885 Ca 0.48 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 56.22 3hoy n MET 885 Cb 0.42 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.88 3hoy n MET 885 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3hoy s LYS 886 N 3.56 0.93 0.10 0.03 -0.14 -1.26 -4.92 119.74 118.04 3hoy s LYS 886 Ca 0.00 0.13 -0.20 0.00 -1.36 0.00 0.00 55.97 54.54 3hoy s LYS 886 Cb 0.00 0.44 -0.08 0.00 -1.68 0.00 0.00 37.83 36.51 3hoy s LYS 886 CO 0.00 -0.31 1.68 0.45 -0.76 0.00 0.00 175.35 176.40 3hoy h HIS 887 N 2.73 0.28 -3.38 3.18 3.86 -2.00 -3.46 115.15 116.36 3hoy h HIS 887 Ca -0.25 -0.01 -0.50 0.00 -1.16 0.00 0.00 60.37 58.45 3hoy h HIS 887 Cb 1.17 -0.09 0.22 0.00 1.06 0.00 0.00 27.41 29.77 3hoy h HIS 887 CO 0.33 0.28 -0.38 0.41 0.86 0.00 0.00 177.93 179.44 3hoy n GLY 888 N -0.84 -1.69 3.77 2.45 0.00 -1.26 -4.97 105.19 102.65 3hoy n GLY 888 Ca -0.04 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 3hoy n GLY 888 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hoy s THR 889 N -2.43 3.24 -0.07 2.61 2.01 -1.26 -4.77 115.64 114.97 3hoy s THR 889 Ca 0.61 1.05 0.15 0.00 0.31 0.00 0.00 61.69 63.82 3hoy s THR 889 Cb -0.20 -3.60 -0.23 0.00 0.01 0.00 0.00 72.50 68.48 3hoy s THR 889 CO 0.64 0.11 0.24 -1.22 -0.69 0.00 0.00 174.62 173.71 3hoy n TYR 890 N 0.20 0.00 -0.39 4.92 4.02 -1.26 -1.36 117.16 123.29 3hoy n TYR 890 Ca 0.04 0.00 0.32 0.00 -0.01 0.00 0.00 57.90 58.24 3hoy n TYR 890 Cb 0.46 -0.50 0.59 0.00 -0.02 0.00 0.00 39.34 39.87 3hoy n TYR 890 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3hoy h ASP 891 N 0.00 0.34 0.00 7.72 3.32 -1.94 0.61 116.42 126.47 3hoy h ASP 891 Ca -0.15 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hoy h ASP 891 Cb 1.17 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3hoy h ASP 891 CO 0.01 -0.16 0.00 0.29 -1.72 0.00 0.00 179.24 177.66 3hoy n LYS 892 N -4.81 0.27 -3.35 3.56 5.02 -1.26 -4.61 118.16 112.97 3hoy n LYS 892 Ca 0.34 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.26 3hoy n LYS 892 Cb 1.24 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 3hoy n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hoy s LEU 893 N -1.48 4.27 0.00 -0.35 1.43 0.21 -4.49 118.68 118.27 3hoy s LEU 893 Ca 0.06 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 3hoy s LEU 893 Cb 0.03 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.61 3hoy s LEU 893 CO 0.05 0.02 0.00 0.47 0.23 0.00 0.00 176.35 177.11 3hoy n ASP 894 N 3.67 -0.14 0.09 2.29 9.92 0.17 -4.91 116.55 127.65 3hoy n ASP 894 Ca -0.08 -0.87 0.12 0.00 -0.53 0.00 0.00 54.79 53.43 3hoy n ASP 894 Cb 0.52 0.00 0.14 0.00 -0.64 0.00 0.00 41.12 41.14 3hoy n ASP 894 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3hoy h ASP 895 N -0.14 0.00 -0.01 -2.24 5.19 -1.96 -3.14 116.42 114.11 3hoy h ASP 895 Ca 0.00 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 3hoy h ASP 895 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3hoy h ASP 895 CO 0.00 0.06 0.00 -0.90 -3.12 0.00 0.00 179.24 175.28 3hoy n ASP 896 N -2.37 0.14 -0.59 6.45 5.75 -1.26 -4.25 116.55 120.41 3hoy n ASP 896 Ca 0.03 -1.51 -0.04 0.00 -0.01 0.00 0.00 54.79 53.26 3hoy n ASP 896 Cb 0.48 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 3hoy n ASP 896 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hoy n GLY 897 N 0.78 0.36 2.87 6.12 0.00 -1.18 -4.30 105.19 109.84 3hoy n GLY 897 Ca 0.12 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 3hoy n GLY 897 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hoy n LEU 898 N -0.74 0.00 -4.48 0.99 4.77 -1.26 -1.49 117.00 114.80 3hoy n LEU 898 Ca -0.03 -2.77 -0.30 0.00 -0.03 0.00 0.00 56.01 52.88 3hoy n LEU 898 Cb 0.53 1.23 -0.12 0.00 -2.33 0.00 0.00 43.42 42.73 3hoy n LEU 898 CO 0.07 -0.45 -0.49 -0.63 -1.33 0.00 0.00 177.39 174.56 3hoy s ILE 899 N -3.07 2.85 0.20 -0.08 1.01 -1.26 0.45 121.20 121.31 3hoy s ILE 899 Ca 0.28 -1.33 -0.30 0.00 0.00 0.00 0.00 60.65 59.30 3hoy s ILE 899 Cb 0.01 -2.26 -0.08 0.00 0.01 0.00 0.00 42.46 40.15 3hoy s ILE 899 CO 0.20 0.22 1.00 0.00 0.00 0.00 0.00 174.94 176.36 3hoy s ALA 900 N -1.04 3.34 -0.59 9.38 0.00 -1.26 -4.82 121.76 126.77 3hoy s ALA 900 Ca 0.16 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3hoy s ALA 900 Cb -0.11 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3hoy s ALA 900 CO 0.08 0.01 0.58 -2.30 0.00 0.00 0.00 175.76 174.12 3hoy n PRO 901 N 1.91 0.00 -0.05 0.00 -0.02 -1.26 -1.60 135.00 133.98 3hoy n PRO 901 Ca 0.00 0.16 -0.03 0.00 -2.02 0.00 0.00 63.50 61.61 3hoy n PRO 901 Cb 0.47 -1.69 -0.15 0.00 -0.02 0.00 0.00 33.50 32.11 3hoy n PRO 901 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hoy n GLY 902 N -1.08 -1.03 3.64 -1.23 0.00 -1.26 -4.00 105.19 100.23 3hoy n GLY 902 Ca 0.00 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.24 3hoy n GLY 902 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hoy n VAL 903 N -2.65 1.70 -3.48 1.61 0.31 -0.63 -4.62 118.33 110.57 3hoy n VAL 903 Ca -0.21 -0.43 -0.37 0.00 -0.01 0.00 0.00 64.34 63.33 3hoy n VAL 903 Cb 0.94 -1.25 -0.07 0.00 -0.91 0.00 0.00 33.84 32.55 3hoy n VAL 903 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3hoy s ARG 904 N -1.34 4.23 0.35 5.55 3.52 -1.26 -0.92 118.95 129.07 3hoy s ARG 904 Ca 0.61 0.13 0.09 0.00 -0.13 0.00 0.00 55.73 56.42 3hoy s ARG 904 Cb -0.66 -3.47 -0.06 0.00 -1.56 0.00 0.00 34.95 29.20 3hoy s ARG 904 CO 0.58 0.13 -0.03 0.14 -0.81 0.00 0.00 175.30 175.31 3hoy s VAL 905 N 0.78 2.38 0.00 7.11 -7.23 -0.69 -4.97 120.40 117.78 3hoy s VAL 905 Ca 0.17 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 3hoy s VAL 905 Cb -0.14 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.05 3hoy s VAL 905 CO 0.06 -0.18 0.00 -1.54 -0.31 0.00 0.00 175.10 173.13 3hoy n SER 906 N -0.89 0.00 0.00 4.85 3.41 -1.26 -2.17 113.62 117.56 3hoy n SER 906 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3hoy n SER 906 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 3hoy n SER 906 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hoy n GLY 907 N 0.00 0.00 1.41 5.00 0.00 -1.26 -3.95 105.19 106.39 3hoy n GLY 907 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3hoy n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hoy n GLU 908 N 0.00 2.67 -1.53 1.61 1.02 -1.26 -4.02 120.64 119.13 3hoy n GLU 908 Ca 0.00 -3.74 -0.37 0.00 -0.02 0.00 0.00 57.16 53.03 3hoy n GLU 908 Cb 0.00 -1.99 0.07 0.00 -0.02 0.00 0.00 31.44 29.50 3hoy n GLU 908 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hoy n ASP 909 N -0.91 0.78 -4.71 1.62 9.92 -1.25 -4.24 116.55 117.75 3hoy n ASP 909 Ca 0.34 0.75 -0.40 0.00 -0.53 0.00 0.00 54.79 54.94 3hoy n ASP 909 Cb 0.85 -1.41 -0.04 0.00 -0.64 0.00 0.00 41.12 39.88 3hoy n ASP 909 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3hoy s VAL 910 N -1.62 5.02 -0.14 2.53 1.01 -0.46 -0.87 120.40 125.86 3hoy s VAL 910 Ca 0.76 1.52 0.18 0.00 0.00 0.00 0.00 61.98 64.44 3hoy s VAL 910 Cb -0.38 -4.08 -0.25 0.00 0.00 0.00 0.00 36.38 31.67 3hoy s VAL 910 CO 0.47 0.22 0.34 -0.38 0.00 0.00 0.00 175.10 175.76 3hoy n ILE 911 N 3.87 1.02 -4.13 2.22 5.41 0.39 -4.71 119.36 123.43 3hoy n ILE 911 Ca -0.00 -0.74 -0.15 0.00 1.00 0.00 0.00 62.75 62.86 3hoy n ILE 911 Cb 0.51 -0.43 -0.13 0.00 -0.71 0.00 0.00 39.64 38.88 3hoy n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3hoy s ILE 912 N -2.83 0.54 -0.17 1.39 1.01 -0.62 -4.16 121.20 116.37 3hoy s ILE 912 Ca -0.08 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 3hoy s ILE 912 Cb 0.09 -0.54 -0.00 0.00 0.01 0.00 0.00 42.46 42.02 3hoy s ILE 912 CO 0.85 -0.13 -0.14 -0.83 0.00 0.00 0.00 174.94 174.69 3hoy s GLY 913 N -0.91 1.49 0.08 6.18 0.00 -0.55 -2.33 107.32 111.27 3hoy s GLY 913 Ca -0.04 -1.08 -0.13 0.00 0.00 0.00 0.00 44.72 43.47 3hoy s GLY 913 CO 0.00 0.11 0.30 1.25 0.00 0.00 0.00 173.10 174.76 3hoy s LYS 914 N 0.96 0.89 0.05 2.90 2.20 -1.24 -2.11 119.74 123.40 3hoy s LYS 914 Ca -0.02 -0.69 -0.16 0.00 -0.36 0.00 0.00 55.97 54.73 3hoy s LYS 914 Cb -0.15 0.38 0.03 0.00 -1.51 0.00 0.00 37.83 36.58 3hoy s LYS 914 CO -0.02 -0.31 0.37 0.95 -0.36 0.00 0.00 175.35 175.98 3hoy s THR 915 N -3.29 0.07 -0.05 3.43 -4.23 -0.28 -2.00 115.64 109.29 3hoy s THR 915 Ca 0.00 -0.56 0.03 0.00 -1.18 0.00 0.00 61.69 59.98 3hoy s THR 915 Cb 0.02 -0.96 0.01 0.00 1.34 0.00 0.00 72.50 72.90 3hoy s THR 915 CO -0.08 -0.31 -0.12 -0.89 -0.54 0.00 0.00 174.62 172.68 3hoy s THR 916 N -2.61 1.11 -0.14 3.99 2.01 0.11 -1.49 115.64 118.62 3hoy s THR 916 Ca -0.04 -0.50 -0.19 0.00 0.31 0.00 0.00 61.69 61.27 3hoy s THR 916 Cb -0.01 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 3hoy s THR 916 CO -0.03 0.34 0.54 -2.16 -0.69 0.00 0.00 174.62 172.61 3hoy s PRO 917 N 0.45 4.30 -0.20 4.92 0.04 -1.26 -2.47 135.00 140.77 3hoy s PRO 917 Ca -0.10 0.52 -0.10 0.00 0.04 0.00 0.00 61.00 61.35 3hoy s PRO 917 Cb -0.13 -3.49 0.07 0.00 0.04 0.00 0.00 34.50 30.99 3hoy s PRO 917 CO 0.03 0.02 0.47 0.42 0.04 0.00 0.00 177.00 177.98 3hoy s ILE 918 N 1.07 -0.09 -0.43 0.56 1.01 -1.26 -4.96 121.20 117.11 3hoy s ILE 918 Ca 0.27 0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.95 3hoy s ILE 918 Cb -0.16 -0.70 0.11 0.00 0.01 0.00 0.00 42.46 41.72 3hoy s ILE 918 CO 0.11 0.03 0.25 -0.94 0.00 0.00 0.00 174.94 174.39 3hoy s SER 919 N 1.58 5.39 -0.01 3.58 1.04 -1.26 -5.01 113.70 119.01 3hoy s SER 919 Ca -0.09 -1.98 0.08 0.00 0.48 0.00 0.00 55.95 54.44 3hoy s SER 919 Cb -0.08 -1.88 -0.13 0.00 0.10 0.00 0.00 66.02 64.03 3hoy s SER 919 CO -0.14 -0.59 0.18 -1.54 0.98 0.00 0.00 173.24 172.13 3hoy n SER 933 N 4.69 3.14 -3.86 7.02 3.41 -1.24 -5.35 113.62 121.43 3hoy n SER 933 Ca -0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.22 3hoy n SER 933 Cb 0.41 1.36 -0.05 0.00 -0.26 0.00 0.00 64.21 65.67 3hoy n SER 933 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hoy n LYS 934 N -1.79 3.02 -2.57 4.33 5.02 -1.19 -4.44 118.16 120.54 3hoy n LYS 934 Ca -0.02 -4.56 -0.43 0.00 -2.02 0.00 0.00 58.31 51.28 3hoy n LYS 934 Cb 0.22 -2.38 -0.02 0.00 -0.02 0.00 0.00 35.03 32.82 3hoy n LYS 934 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3hoy s ARG 935 N -2.09 4.34 1.09 1.97 1.70 -1.03 -4.52 118.95 120.41 3hoy s ARG 935 Ca 0.32 1.52 -0.15 0.00 -0.47 0.00 0.00 55.73 56.96 3hoy s ARG 935 Cb 0.03 -3.60 0.16 0.00 -0.57 0.00 0.00 34.95 30.97 3hoy s ARG 935 CO -0.04 -0.47 0.55 -3.47 -1.08 0.00 0.00 175.30 170.79 3hoy n ASP 936 N 5.54 -1.79 -0.59 -2.89 -0.08 -1.12 0.04 116.55 115.67 3hoy n ASP 936 Ca 0.11 0.01 -0.02 0.00 -1.51 0.00 0.00 54.79 53.37 3hoy n ASP 936 Cb 0.47 -1.17 -0.02 0.00 2.34 0.00 0.00 41.12 42.74 3hoy n ASP 936 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hoy n ALA 937 N -4.46 1.23 -1.91 -1.67 0.00 -0.85 -4.50 120.51 108.35 3hoy n ALA 937 Ca 0.04 -0.24 -0.33 0.00 0.00 0.00 0.00 53.44 52.92 3hoy n ALA 937 Cb 0.57 -0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 3hoy n ALA 937 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3hoy s SER 938 N -0.34 6.87 -0.26 0.00 0.01 -1.24 -4.30 113.70 114.44 3hoy s SER 938 Ca 0.00 1.56 -0.06 0.00 1.31 0.00 0.00 55.95 58.76 3hoy s SER 938 Cb 0.00 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 3hoy s SER 938 CO 0.00 -0.33 0.03 -0.89 0.41 0.00 0.00 173.24 172.46 3hoy s THR 939 N -2.16 3.85 0.29 1.44 2.01 -0.99 -4.95 115.64 115.13 3hoy s THR 939 Ca 0.60 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 62.13 3hoy s THR 939 Cb -0.09 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 3hoy s THR 939 CO 0.16 0.27 0.45 -2.16 -0.69 0.00 0.00 174.62 172.65 3hoy s PRO 940 N 1.52 3.47 0.26 4.92 0.04 -1.26 -0.46 135.00 143.49 3hoy s PRO 940 Ca 0.05 -0.50 -0.30 0.00 0.04 0.00 0.00 61.00 60.29 3hoy s PRO 940 Cb -0.16 -2.78 -0.10 0.00 0.04 0.00 0.00 34.50 31.51 3hoy s PRO 940 CO 0.01 0.29 1.45 -1.17 0.04 0.00 0.00 177.00 177.62 3hoy s LEU 941 N -4.05 4.38 -0.44 -3.56 2.96 -0.05 -4.80 118.68 113.12 3hoy s LEU 941 Ca 0.37 2.70 -0.44 0.00 -0.22 0.00 0.00 54.13 56.54 3hoy s LEU 941 Cb -0.10 -3.63 -0.18 0.00 0.50 0.00 0.00 46.19 42.79 3hoy s LEU 941 CO 0.32 -0.72 1.81 0.54 -1.32 0.00 0.00 176.35 176.98 3hoy n ARG 942 N 2.26 0.34 -0.31 1.98 1.74 -1.26 -4.44 116.66 116.96 3hoy n ARG 942 Ca 0.07 0.12 0.31 0.00 -0.77 0.00 0.00 57.85 57.58 3hoy n ARG 942 Cb 0.40 -1.71 0.58 0.00 -1.02 0.00 0.00 32.46 30.71 3hoy n ARG 942 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3hoy n SER 943 N 5.62 0.34 -0.02 0.55 3.41 -1.26 -1.62 113.62 120.64 3hoy n SER 943 Ca 0.37 1.62 -0.13 0.00 -0.26 0.00 0.00 58.87 60.47 3hoy n SER 943 Cb 0.01 -0.79 -0.09 0.00 -0.26 0.00 0.00 64.21 63.07 3hoy n SER 943 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3hoy h THR 944 N 0.00 1.37 -2.85 6.66 2.02 -1.86 -3.44 112.91 114.80 3hoy h THR 944 Ca 0.83 -1.14 -0.31 0.00 0.77 0.00 0.00 66.41 66.57 3hoy h THR 944 Cb 2.21 2.06 0.16 0.00 -1.74 0.00 0.00 68.15 70.84 3hoy h THR 944 CO -0.75 0.30 0.03 -0.62 0.37 0.00 0.00 175.52 174.85 3hoy n GLU 945 N -4.80 -3.15 0.00 6.66 1.02 -0.64 -4.98 120.64 114.75 3hoy n GLU 945 Ca -0.08 -1.32 0.00 0.00 -0.02 0.00 0.00 57.16 55.74 3hoy n GLU 945 Cb 0.26 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3hoy n GLU 945 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3hoy n ASN 946 N -4.69 0.00 0.00 1.62 6.94 -1.26 -4.34 115.26 113.53 3hoy n ASN 946 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.68 3hoy n ASN 946 Cb 0.47 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 3hoy n ASN 946 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hoy n GLY 947 N -0.05 -0.31 2.92 4.83 0.00 -0.92 -4.80 105.19 106.85 3hoy n GLY 947 Ca 0.00 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 3hoy n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hoy s ILE 948 N -4.00 0.61 0.45 -0.61 1.01 -0.67 -1.70 121.20 116.30 3hoy s ILE 948 Ca 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 60.65 60.23 3hoy s ILE 948 Cb 0.00 -0.62 -0.09 0.00 0.01 0.00 0.00 42.46 41.76 3hoy s ILE 948 CO 0.00 0.24 1.15 0.52 0.00 0.00 0.00 174.94 176.85 3hoy n VAL 949 N 3.94 2.74 0.00 2.92 0.31 -0.10 -0.15 118.33 128.00 3hoy n VAL 949 Ca -0.25 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.58 3hoy n VAL 949 Cb 0.51 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 3hoy n VAL 949 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3hoy n ASP 950 N 0.11 1.69 -3.30 4.52 2.03 0.12 -4.37 116.55 117.37 3hoy n ASP 950 Ca 0.09 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.41 3hoy n ASP 950 Cb 0.41 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.78 3hoy n ASP 950 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3hoy s GLN 951 N -1.99 0.54 -0.09 -0.67 0.74 -1.13 -4.84 119.66 112.22 3hoy s GLN 951 Ca 0.00 1.06 -0.11 0.00 0.05 0.00 0.00 55.36 56.37 3hoy s GLN 951 Cb 0.00 0.52 -0.05 0.00 1.10 0.00 0.00 33.01 34.58 3hoy s GLN 951 CO 0.00 -0.52 0.25 0.08 -0.55 0.00 0.00 175.29 174.55 3hoy s VAL 952 N 2.83 5.32 -0.05 1.34 1.01 -1.26 -2.65 120.40 126.93 3hoy s VAL 952 Ca 0.13 0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.59 3hoy s VAL 952 Cb -0.14 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.72 3hoy s VAL 952 CO -0.20 0.57 -0.10 -0.22 0.00 0.00 0.00 175.10 175.16 3hoy s LEU 953 N -0.78 1.59 -0.07 3.92 0.20 -0.12 -5.00 118.68 118.42 3hoy s LEU 953 Ca 0.18 -0.23 0.02 0.00 0.69 0.00 0.00 54.13 54.79 3hoy s LEU 953 Cb -0.14 -0.67 -0.03 0.00 -0.43 0.00 0.00 46.19 44.93 3hoy s LEU 953 CO 0.07 0.02 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.34 3hoy s VAL 954 N 0.62 3.32 0.14 1.68 1.01 -1.26 -1.56 120.40 124.35 3hoy s VAL 954 Ca -0.11 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 3hoy s VAL 954 Cb -0.14 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 33.93 3hoy s VAL 954 CO 0.02 0.58 0.39 0.41 0.00 0.00 0.00 175.10 176.51 3hoy n THR 955 N 2.50 0.00 -4.33 3.92 -1.04 0.13 -5.00 114.28 110.46 3hoy n THR 955 Ca -0.18 -0.38 -0.23 0.00 -2.04 0.00 0.00 64.05 61.22 3hoy n THR 955 Cb 0.53 0.41 -0.13 0.00 -1.82 0.00 0.00 70.33 69.32 3hoy n THR 955 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3hoy s THR 956 N -2.50 1.63 0.18 12.58 2.01 -1.25 0.10 115.64 128.38 3hoy s THR 956 Ca 0.08 -1.45 0.05 0.00 0.31 0.00 0.00 61.69 60.68 3hoy s THR 956 Cb -0.02 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 3hoy s THR 956 CO 0.04 -0.04 0.17 0.21 -0.69 0.00 0.00 174.62 174.32 3hoy s ASN 957 N -1.76 5.66 0.00 3.53 2.47 0.42 -4.81 114.94 120.45 3hoy s ASN 957 Ca 0.06 -0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.23 3hoy s ASN 957 Cb -0.10 -1.51 0.00 0.00 -1.45 0.00 0.00 41.25 38.19 3hoy s ASN 957 CO 0.04 0.04 0.00 0.00 -3.72 0.00 0.00 177.10 173.46 3hoy n GLN 958 N -0.55 0.00 -0.32 0.43 1.13 -1.26 0.17 117.38 116.99 3hoy n GLN 958 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 3hoy n GLN 958 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.90 3hoy n GLN 958 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3hoy n ASP 959 N -3.62 3.68 -1.53 1.08 8.00 -1.26 -3.76 116.55 119.14 3hoy n ASP 959 Ca 0.00 -1.95 -0.05 0.00 0.71 0.00 0.00 54.79 53.49 3hoy n ASP 959 Cb 0.00 -0.76 -0.02 0.00 -0.02 0.00 0.00 41.12 40.32 3hoy n ASP 959 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hoy n GLY 960 N 1.50 0.23 3.78 0.44 0.00 0.45 -4.89 105.19 106.70 3hoy n GLY 960 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3hoy n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hoy s LEU 961 N -3.44 4.30 -0.45 0.99 1.43 -1.04 -4.76 118.68 115.70 3hoy s LEU 961 Ca 0.00 1.95 -0.28 0.00 -1.03 0.00 0.00 54.13 54.77 3hoy s LEU 961 Cb 0.00 -4.03 0.03 0.00 0.03 0.00 0.00 46.19 42.22 3hoy s LEU 961 CO 0.00 -0.21 1.10 -0.75 0.23 0.00 0.00 176.35 176.71 3hoy s LYS 962 N -2.13 3.74 -0.18 1.70 2.20 -1.26 -0.44 119.74 123.37 3hoy s LYS 962 Ca 0.52 0.57 -0.06 0.00 -0.36 0.00 0.00 55.97 56.65 3hoy s LYS 962 Cb -0.21 -3.89 -0.03 0.00 -1.51 0.00 0.00 37.83 32.19 3hoy s LYS 962 CO 0.27 -1.30 0.01 0.12 -0.36 0.00 0.00 175.35 174.10 3hoy s PHE 963 N 4.25 3.11 0.03 4.03 5.36 0.28 -2.74 117.98 132.31 3hoy s PHE 963 Ca 0.46 -0.21 0.04 0.00 -0.96 0.00 0.00 56.93 56.26 3hoy s PHE 963 Cb -0.08 -2.05 -0.02 0.00 -0.34 0.00 0.00 43.02 40.53 3hoy s PHE 963 CO 0.29 -0.04 -0.12 0.54 -1.46 0.00 0.00 175.22 174.43 3hoy s VAL 964 N 0.60 0.93 -0.05 3.12 0.11 -0.76 0.21 120.40 124.56 3hoy s VAL 964 Ca 0.00 -0.93 -0.01 0.00 -2.93 0.00 0.00 61.98 58.12 3hoy s VAL 964 Cb -0.14 -0.86 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 3hoy s VAL 964 CO 0.02 -0.05 -0.00 -0.54 -3.33 0.00 0.00 175.10 171.19 3hoy s LYS 965 N -1.11 0.53 0.20 1.54 1.02 -0.60 -1.67 119.74 119.65 3hoy s LYS 965 Ca -0.01 0.08 0.07 0.00 0.02 0.00 0.00 55.97 56.14 3hoy s LYS 965 Cb -0.08 -0.80 -0.04 0.00 -0.52 0.00 0.00 37.83 36.40 3hoy s LYS 965 CO 0.01 -0.22 0.09 0.08 -0.92 0.00 0.00 175.35 174.38 3hoy s VAL 966 N 1.57 4.09 -0.16 3.17 1.01 0.11 -0.94 120.40 129.25 3hoy s VAL 966 Ca -0.01 -1.39 -0.04 0.00 0.00 0.00 0.00 61.98 60.54 3hoy s VAL 966 Cb -0.13 -3.12 0.08 0.00 0.00 0.00 0.00 36.38 33.21 3hoy s VAL 966 CO -0.03 -0.21 0.23 -0.60 0.00 0.00 0.00 175.10 174.49 3hoy s ARG 967 N -3.32 0.15 -0.03 2.72 3.52 -1.09 -1.48 118.95 119.42 3hoy s ARG 967 Ca 0.30 0.47 -0.08 0.00 -0.13 0.00 0.00 55.73 56.29 3hoy s ARG 967 Cb -0.09 -0.61 -0.05 0.00 -1.56 0.00 0.00 34.95 32.65 3hoy s ARG 967 CO 0.22 -0.46 0.25 0.08 -0.81 0.00 0.00 175.30 174.58 3hoy s VAL 968 N 2.36 5.32 0.03 7.11 1.01 -0.11 0.16 120.40 136.28 3hoy s VAL 968 Ca 0.04 0.29 0.09 0.00 0.00 0.00 0.00 61.98 62.40 3hoy s VAL 968 Cb -0.14 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 3hoy s VAL 968 CO -0.10 0.48 -0.24 -0.60 0.00 0.00 0.00 175.10 174.64 3hoy s ARG 969 N -1.43 1.91 0.06 2.72 3.00 0.79 -1.68 118.95 124.33 3hoy s ARG 969 Ca 0.23 -1.05 -0.08 0.00 -1.00 0.00 0.00 55.73 53.83 3hoy s ARG 969 Cb -0.13 -2.04 -0.01 0.00 0.00 0.00 0.00 34.95 32.77 3hoy s ARG 969 CO 0.12 0.53 0.16 0.99 0.00 0.00 0.00 175.30 177.09 3hoy s THR 970 N -0.80 0.14 -0.10 4.11 2.01 0.52 -1.68 115.64 119.84 3hoy s THR 970 Ca 0.12 -1.15 -0.02 0.00 0.31 0.00 0.00 61.69 60.95 3hoy s THR 970 Cb -0.10 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 3hoy s THR 970 CO 0.02 -0.63 -0.04 -0.89 -0.69 0.00 0.00 174.62 172.39 3hoy s THR 971 N -3.33 3.96 -0.13 -0.82 2.01 -1.26 0.89 115.64 116.96 3hoy s THR 971 Ca 0.01 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.67 3hoy s THR 971 Cb 0.03 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.87 3hoy s THR 971 CO -0.08 0.56 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.67 3hoy s LYS 972 N -0.43 3.11 -0.12 4.92 1.02 0.61 -4.94 119.74 123.91 3hoy s LYS 972 Ca 0.07 -0.83 -0.05 0.00 0.02 0.00 0.00 55.97 55.18 3hoy s LYS 972 Cb -0.12 -2.44 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 3hoy s LYS 972 CO 0.02 0.09 0.06 0.42 -0.92 0.00 0.00 175.35 175.02 3hoy s ILE 973 N 0.58 4.83 0.09 2.17 1.01 -1.26 -1.83 121.20 126.79 3hoy s ILE 973 Ca -0.12 -0.04 -0.33 0.00 0.00 0.00 0.00 60.65 60.16 3hoy s ILE 973 Cb -0.16 -3.09 -0.12 0.00 0.01 0.00 0.00 42.46 39.09 3hoy s ILE 973 CO 0.03 0.58 1.74 -0.81 0.00 0.00 0.00 174.94 176.49 3hoy n PRO 974 N 2.37 2.38 -4.37 2.79 -0.04 -1.26 -4.95 135.00 131.92 3hoy n PRO 974 Ca -0.19 0.87 -0.19 0.00 -0.04 0.00 0.00 63.50 63.95 3hoy n PRO 974 Cb 0.54 -2.70 -0.10 0.00 -0.04 0.00 0.00 33.50 31.20 3hoy n PRO 974 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3hoy s GLN 975 N 2.31 1.44 0.18 0.54 0.74 -1.26 -5.04 119.66 118.57 3hoy s GLN 975 Ca 0.83 -1.74 -0.20 0.00 0.05 0.00 0.00 55.36 54.30 3hoy s GLN 975 Cb -0.61 -0.81 0.11 0.00 1.10 0.00 0.00 33.01 32.80 3hoy s GLN 975 CO 0.41 -0.07 1.40 -0.89 -0.55 0.00 0.00 175.29 175.59 3hoy n ILE 976 N -0.50 -0.53 0.53 -2.34 5.41 -1.26 -2.08 119.36 118.60 3hoy n ILE 976 Ca -0.05 2.14 0.10 0.00 1.00 0.00 0.00 62.75 65.94 3hoy n ILE 976 Cb 0.64 -2.76 0.42 0.00 -0.71 0.00 0.00 39.64 37.24 3hoy n ILE 976 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hoy n GLY 977 N -1.35 -1.23 3.69 7.39 0.00 -1.26 -3.03 105.19 109.40 3hoy n GLY 977 Ca 0.06 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3hoy n GLY 977 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hoy n ASP 978 N -1.85 1.78 -4.89 1.61 8.00 -0.88 -4.41 116.55 115.92 3hoy n ASP 978 Ca 0.04 0.87 -0.36 0.00 0.71 0.00 0.00 54.79 56.05 3hoy n ASP 978 Cb 0.24 -1.50 -0.06 0.00 -0.02 0.00 0.00 41.12 39.78 3hoy n ASP 978 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3hoy s LYS 979 N -2.98 3.46 0.07 -1.24 2.20 -1.24 -0.95 119.74 119.07 3hoy s LYS 979 Ca 0.77 -0.18 -0.12 0.00 -0.36 0.00 0.00 55.97 56.07 3hoy s LYS 979 Cb -0.41 -3.15 0.02 0.00 -1.51 0.00 0.00 37.83 32.77 3hoy s LYS 979 CO 0.46 0.73 0.28 -0.06 -0.36 0.00 0.00 175.35 176.40 3hoy s PHE 980 N -1.15 -0.04 -0.19 4.03 0.40 -0.02 -3.28 117.98 117.74 3hoy s PHE 980 Ca 0.20 -0.21 -0.26 0.00 -0.60 0.00 0.00 56.93 56.06 3hoy s PHE 980 Cb -0.12 0.07 0.07 0.00 0.51 0.00 0.00 43.02 43.55 3hoy s PHE 980 CO 0.10 -0.54 0.69 0.00 0.70 0.00 0.00 175.22 176.16 3hoy s ALA 981 N -3.12 -1.72 1.00 5.36 0.00 -0.11 -1.29 121.76 121.88 3hoy s ALA 981 Ca -0.01 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.68 3hoy s ALA 981 Cb 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.38 3hoy s ALA 981 CO -0.07 -0.34 0.00 -1.13 0.00 0.00 0.00 175.76 174.22 3hoy n SER 982 N 2.09 -0.29 -2.11 0.00 3.41 -1.14 -0.57 113.62 115.01 3hoy n SER 982 Ca -0.16 -0.28 -0.19 0.00 -0.26 0.00 0.00 58.87 57.98 3hoy n SER 982 Cb 0.56 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.72 3hoy n SER 982 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hoy n ARG 983 N -0.57 2.57 -2.40 4.33 1.74 -1.26 -4.48 116.66 116.58 3hoy n ARG 983 Ca 0.00 -3.04 -0.13 0.00 -0.77 0.00 0.00 57.85 53.90 3hoy n ARG 983 Cb 0.00 -2.17 0.03 0.00 -1.02 0.00 0.00 32.46 29.31 3hoy n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hoy n HIS 984 N -0.92 2.09 -1.63 -1.55 8.25 -1.26 -4.71 115.22 115.48 3hoy n HIS 984 Ca 0.54 -2.23 -0.15 0.00 -0.26 0.00 0.00 57.72 55.62 3hoy n HIS 984 Cb 1.57 -0.29 -0.05 0.00 1.12 0.00 0.00 29.99 32.35 3hoy n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hoy n GLY 985 N -0.64 1.01 3.05 -1.41 0.00 -1.25 -4.85 105.19 101.11 3hoy n GLY 985 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 3hoy n GLY 985 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hoy n GLN 986 N -2.16 4.07 -3.17 1.61 -0.06 -1.26 -4.93 117.38 111.48 3hoy n GLN 986 Ca -0.15 -4.54 -0.23 0.00 -2.00 0.00 0.00 57.00 50.08 3hoy n GLN 986 Cb 0.52 -2.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.20 3hoy n GLN 986 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 3hoy s LYS 987 N -2.37 3.24 -0.14 3.69 -2.85 -1.26 -2.89 119.74 117.15 3hoy s LYS 987 Ca 0.31 -0.46 -0.34 0.00 -1.00 0.00 0.00 55.97 54.48 3hoy s LYS 987 Cb 0.01 -2.61 0.15 0.00 -2.06 0.00 0.00 37.83 33.32 3hoy s LYS 987 CO 0.05 -0.08 1.38 0.20 0.10 0.00 0.00 175.35 176.99 3hoy s GLY 988 N -4.14 -0.39 0.20 0.59 0.00 -0.41 -4.83 107.32 98.34 3hoy s GLY 988 Ca 0.45 1.22 0.11 0.00 0.00 0.00 0.00 44.72 46.50 3hoy s GLY 988 CO 0.37 0.32 -0.21 -0.51 0.00 0.00 0.00 173.10 173.07 3hoy s THR 989 N -2.13 2.55 0.68 0.90 -4.23 -1.18 -0.84 115.64 111.39 3hoy s THR 989 Ca 0.13 -1.97 -0.17 0.00 -1.18 0.00 0.00 61.69 58.51 3hoy s THR 989 Cb 0.04 -2.24 0.01 0.00 1.34 0.00 0.00 72.50 71.65 3hoy s THR 989 CO -0.05 -0.13 1.23 -0.63 -0.54 0.00 0.00 174.62 174.50 3hoy s ILE 990 N -1.73 2.29 0.00 2.99 1.01 -0.12 -1.20 121.20 124.44 3hoy s ILE 990 Ca 0.22 0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.04 3hoy s ILE 990 Cb -0.08 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.49 3hoy s ILE 990 CO 0.11 -0.06 0.29 0.61 0.00 0.00 0.00 174.94 175.89 3hoy n GLY 991 N 0.57 -0.34 0.00 6.18 0.00 0.17 -4.39 105.19 107.39 3hoy n GLY 991 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3hoy n GLY 991 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3hoy n ILE 992 N -0.01 0.00 -4.09 -0.61 3.06 -1.26 -4.99 119.36 111.47 3hoy n ILE 992 Ca 0.00 0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 60.11 3hoy n ILE 992 Cb 0.12 0.00 -0.13 0.00 0.54 0.00 0.00 39.64 40.18 3hoy n ILE 992 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3hoy s THR 993 N -2.00 0.45 0.20 9.51 -4.23 -1.26 -2.21 115.64 116.09 3hoy s THR 993 Ca 0.00 -0.69 0.09 0.00 -1.18 0.00 0.00 61.69 59.91 3hoy s THR 993 Cb 0.00 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 3hoy s THR 993 CO 0.00 -0.18 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.41 3hoy s TYR 994 N -0.84 1.94 0.20 3.99 4.12 -0.89 -4.81 117.35 121.07 3hoy s TYR 994 Ca -0.05 -0.45 0.02 0.00 0.02 0.00 0.00 57.07 56.61 3hoy s TYR 994 Cb -0.06 -0.93 -0.04 0.00 -1.52 0.00 0.00 41.96 39.41 3hoy s TYR 994 CO 0.00 0.43 0.35 1.03 0.02 0.00 0.00 175.55 177.38 3hoy s ARG 995 N -3.09 3.46 0.25 -0.62 0.52 -1.26 0.27 118.95 118.48 3hoy s ARG 995 Ca 0.20 -0.56 0.06 0.00 -0.52 0.00 0.00 55.73 54.91 3hoy s ARG 995 Cb -0.05 -2.89 0.71 0.00 0.52 0.00 0.00 34.95 33.25 3hoy s ARG 995 CO 0.09 0.44 1.20 0.54 0.02 0.00 0.00 175.30 177.58 3hoy n ARG 996 N -0.92 -0.06 -0.30 3.54 1.74 -1.26 -0.34 116.66 119.06 3hoy n ARG 996 Ca -0.07 1.12 -0.05 0.00 -0.77 0.00 0.00 57.85 58.08 3hoy n ARG 996 Cb 0.55 -1.84 0.07 0.00 -1.02 0.00 0.00 32.46 30.22 3hoy n ARG 996 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3hoy h GLU 997 N 0.00 1.16 0.00 5.56 3.07 -1.95 -2.90 114.58 119.52 3hoy h GLU 997 Ca 0.52 -0.14 -0.16 0.00 -0.50 0.00 0.00 59.36 59.08 3hoy h GLU 997 Cb 1.17 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.84 3hoy h GLU 997 CO -0.68 0.86 -0.76 -0.44 -1.40 0.00 0.00 179.01 176.59 3hoy h ASP 998 N 1.16 0.00 -4.06 1.42 3.32 -0.96 -3.40 116.42 113.89 3hoy h ASP 998 Ca 0.29 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.79 3hoy h ASP 998 Cb 0.05 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.73 3hoy h ASP 998 CO -0.04 0.76 0.56 -0.32 -1.72 0.00 0.00 179.24 178.47 3hoy s MET 999 N -2.95 3.04 0.29 3.56 1.75 -0.84 -4.03 119.30 120.11 3hoy s MET 999 Ca 0.02 2.11 -0.29 0.00 -1.25 0.00 0.00 55.69 56.28 3hoy s MET 999 Cb 0.10 -2.14 -0.09 0.00 2.84 0.00 0.00 34.83 35.53 3hoy s MET 999 CO 0.78 -1.23 1.09 -1.25 -0.65 0.00 0.00 175.02 173.76 3hoy s PRO 1000N -3.04 4.62 0.20 4.11 0.04 -1.26 -3.70 135.00 135.96 3hoy s PRO 1000Ca 0.74 1.78 0.03 0.00 0.04 0.00 0.00 61.00 63.59 3hoy s PRO 1000Cb -0.38 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 3hoy s PRO 1000CO 0.43 0.20 -0.02 -0.59 0.04 0.00 0.00 177.00 177.07 3hoy s PHE 1001N -1.19 1.43 0.17 0.56 -0.12 -0.61 -4.27 117.98 113.94 3hoy s PHE 1001Ca 0.45 -0.92 -0.03 0.00 -0.05 0.00 0.00 56.93 56.38 3hoy s PHE 1001Cb -0.31 -0.81 -0.05 0.00 -0.63 0.00 0.00 43.02 41.22 3hoy s PHE 1001CO 0.40 -0.06 0.38 0.95 -0.05 0.00 0.00 175.22 176.84 3hoy s THR 1002N -3.46 5.18 -0.25 -4.49 -4.23 -0.91 -0.20 115.64 107.29 3hoy s THR 1002Ca 0.26 -0.11 0.20 0.00 -1.18 0.00 0.00 61.69 60.85 3hoy s THR 1002Cb 0.05 -3.66 0.20 0.00 1.34 0.00 0.00 72.50 70.43 3hoy s THR 1002CO 0.06 -0.04 1.61 0.00 -0.54 0.00 0.00 174.62 175.71 3hoy n ALA 1003N -0.20 1.03 1.49 3.99 0.00 -1.26 -0.69 120.51 124.88 3hoy n ALA 1003Ca -0.03 0.19 0.15 0.00 0.00 0.00 0.00 53.44 53.74 3hoy n ALA 1003Cb 0.52 -1.28 0.68 0.00 0.00 0.00 0.00 19.45 19.37 3hoy n ALA 1003CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hoy n GLU 1004N -2.20 0.71 0.00 0.00 1.02 -1.26 -4.93 120.64 113.98 3hoy n GLU 1004Ca -0.01 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 3hoy n GLU 1004Cb 0.04 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 3hoy n GLU 1004CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hoy n GLY 1005N 1.24 3.02 3.51 0.62 0.00 0.14 -5.05 105.19 108.67 3hoy n GLY 1005Ca 0.16 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 3hoy n GLY 1005CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hoy n ILE 1006N 0.00 2.39 -3.79 -0.61 -5.35 -1.26 -4.66 119.36 106.08 3hoy n ILE 1006Ca 0.00 -0.50 -0.12 0.00 -0.27 0.00 0.00 62.75 61.86 3hoy n ILE 1006Cb 0.00 -0.79 -0.08 0.00 -1.74 0.00 0.00 39.64 37.03 3hoy n ILE 1006CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3hoy s VAL 1007N -1.57 0.08 0.73 7.28 0.11 -1.26 -2.13 120.40 123.64 3hoy s VAL 1007Ca 0.68 -0.67 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 3hoy s VAL 1007Cb -0.49 -0.79 0.03 0.00 -1.53 0.00 0.00 36.38 33.61 3hoy s VAL 1007CO 0.54 -0.37 1.07 -2.16 -3.33 0.00 0.00 175.10 170.86 3hoy s PRO 1008N -2.08 2.62 -0.02 1.54 0.04 -1.26 -4.90 135.00 130.94 3hoy s PRO 1008Ca -0.09 0.86 0.14 0.00 0.04 0.00 0.00 61.00 61.96 3hoy s PRO 1008Cb -0.03 -1.96 -0.21 0.00 0.04 0.00 0.00 34.50 32.34 3hoy s PRO 1008CO -0.01 -1.30 0.33 -0.25 0.04 0.00 0.00 177.00 175.82 3hoy n ASP 1009N -3.25 1.66 -3.84 6.66 8.00 0.14 -4.52 116.55 121.40 3hoy n ASP 1009Ca 0.07 -0.07 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3hoy n ASP 1009Cb 0.54 1.59 -0.13 0.00 -0.02 0.00 0.00 41.12 43.11 3hoy n ASP 1009CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hoy s LEU 1010N -3.87 1.56 -0.33 0.64 2.96 -1.06 -0.41 118.68 118.16 3hoy s LEU 1010Ca -0.04 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 3hoy s LEU 1010Cb 0.09 0.43 0.10 0.00 0.50 0.00 0.00 46.19 47.31 3hoy s LEU 1010CO 0.59 -0.08 0.10 -0.63 -1.32 0.00 0.00 176.35 175.01 3hoy s ILE 1011N -0.10 1.28 0.23 6.68 1.01 0.72 -1.42 121.20 129.61 3hoy s ILE 1011Ca -0.02 -1.74 -0.08 0.00 0.00 0.00 0.00 60.65 58.82 3hoy s ILE 1011Cb -0.02 -1.96 -0.07 0.00 0.01 0.00 0.00 42.46 40.43 3hoy s ILE 1011CO 0.00 -0.68 0.52 0.27 0.00 0.00 0.00 174.94 175.06 3hoy s ILE 1012N 1.33 4.99 0.05 2.92 -4.36 -0.86 -2.72 121.20 122.56 3hoy s ILE 1012Ca 0.11 0.32 -0.30 0.00 -0.26 0.00 0.00 60.65 60.52 3hoy s ILE 1012Cb -0.18 -3.64 -0.05 0.00 1.25 0.00 0.00 42.46 39.84 3hoy s ILE 1012CO -0.19 -0.10 1.07 0.21 0.24 0.00 0.00 174.94 176.18 3hoy s ASN 1013N -2.52 7.26 0.45 4.36 3.84 -1.26 -2.11 114.94 124.96 3hoy s ASN 1013Ca 0.46 1.85 0.27 0.00 0.21 0.00 0.00 52.86 55.64 3hoy s ASN 1013Cb -0.11 -2.58 1.31 0.00 -0.55 0.00 0.00 41.25 39.32 3hoy s ASN 1013CO 0.23 -0.32 1.74 1.55 -2.79 0.00 0.00 177.10 177.52 3hoy h PRO 1014N 6.52 0.21 -0.10 0.43 0.13 -1.79 -1.22 132.00 136.19 3hoy h PRO 1014Ca -0.42 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.73 3hoy h PRO 1014Cb 1.22 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3hoy h PRO 1014CO 0.77 0.14 0.10 0.45 -0.23 0.00 0.00 178.00 179.23 3hoy h HIS 1015N 0.22 0.00 0.00 1.56 3.86 -1.96 -2.87 115.15 115.95 3hoy h HIS 1015Ca 0.64 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.85 3hoy h HIS 1015Cb 1.99 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.46 3hoy h HIS 1015CO -0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 3hoy n ALA 1016N -2.39 2.22 -0.22 2.45 0.00 -0.46 -4.06 120.51 118.05 3hoy n ALA 1016Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hoy n ALA 1016Cb 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3hoy n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hoy n ILE 1017N 0.42 0.00 -0.04 0.00 2.08 -1.08 -4.75 119.36 115.99 3hoy n ILE 1017Ca 0.00 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.30 3hoy n ILE 1017Cb 0.31 -0.87 -0.01 0.00 -0.75 0.00 0.00 39.64 38.32 3hoy n ILE 1017CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3hoy n PRO 1018N -2.16 -0.04 0.08 0.38 -0.02 -1.26 -1.21 135.00 130.77 3hoy n PRO 1018Ca 0.00 0.58 -0.15 0.00 -2.02 0.00 0.00 63.50 61.92 3hoy n PRO 1018Cb 0.00 -0.87 -0.09 0.00 -0.02 0.00 0.00 33.50 32.52 3hoy n PRO 1018CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hoy h SER 1019N 0.00 -1.46 0.22 2.55 4.64 -1.91 -2.44 113.55 115.15 3hoy h SER 1019Ca 0.02 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3hoy h SER 1019Cb 0.04 0.55 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3hoy h SER 1019CO -0.09 -0.49 0.00 -2.11 -0.87 0.00 0.00 176.83 173.26 3hoy n ARG 1020N -5.17 0.35 -3.91 4.77 0.00 -0.98 -4.89 116.66 106.82 3hoy n ARG 1020Ca -0.07 0.08 -0.26 0.00 -0.00 0.00 0.00 57.85 57.60 3hoy n ARG 1020Cb 0.37 -1.50 0.01 0.00 -0.00 0.00 0.00 32.46 31.34 3hoy n ARG 1020CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3hoy n MET 1021N -1.20 -0.60 -3.20 2.89 2.81 -0.35 -4.55 117.12 112.91 3hoy n MET 1021Ca 0.10 -0.21 -0.41 0.00 -1.81 0.00 0.00 57.70 55.38 3hoy n MET 1021Cb 0.11 -0.92 -0.01 0.00 -0.71 0.00 0.00 33.22 31.69 3hoy n MET 1021CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3hoy n THR 1022N -3.19 4.54 0.02 2.03 5.66 -1.26 -3.36 114.28 118.72 3hoy n THR 1022Ca -0.06 -5.64 0.02 0.00 -3.05 0.00 0.00 64.05 55.32 3hoy n THR 1022Cb 0.31 -2.23 0.35 0.00 -1.55 0.00 0.00 70.33 67.21 3hoy n THR 1022CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 3hoy h VAL 1023N 3.51 1.16 -0.98 1.08 2.07 -1.87 -2.74 116.25 118.48 3hoy h VAL 1023Ca 0.19 -0.58 0.23 0.00 0.82 0.00 0.00 66.70 67.36 3hoy h VAL 1023Cb 0.70 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 31.21 3hoy h VAL 1023CO 1.15 0.21 0.63 0.00 0.02 0.00 0.00 177.57 179.58 3hoy h ALA 1024N 1.60 2.12 0.03 1.67 0.00 -1.84 -0.73 119.26 122.11 3hoy h ALA 1024Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hoy h ALA 1024Cb 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hoy h ALA 1024CO -0.00 -0.47 -0.05 1.25 0.00 0.00 0.00 179.25 179.97 3hoy h HIS 1025N 0.47 -0.15 -0.98 0.00 6.17 -1.78 0.65 115.15 119.53 3hoy h HIS 1025Ca 0.54 0.00 0.29 0.00 0.71 0.00 0.00 60.37 61.92 3hoy h HIS 1025Cb 1.26 0.06 -0.18 0.00 2.52 0.00 0.00 27.41 31.08 3hoy h HIS 1025CO -0.00 -0.06 0.12 -0.07 0.71 0.00 0.00 177.93 178.63 3hoy h LEU 1026N -0.09 -0.32 0.76 0.26 3.38 -1.32 -1.79 115.31 116.20 3hoy h LEU 1026Ca -0.00 0.27 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 3hoy h LEU 1026Cb 0.08 0.44 0.01 0.00 0.09 0.00 0.00 40.66 41.28 3hoy h LEU 1026CO -0.02 -0.35 -0.37 0.40 0.09 0.00 0.00 178.44 178.19 3hoy h ILE 1027N 0.02 0.00 -0.85 1.22 2.04 -0.74 -2.90 117.51 116.31 3hoy h ILE 1027Ca 0.63 -0.25 0.33 0.00 1.00 0.00 0.00 64.86 66.58 3hoy h ILE 1027Cb 1.38 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.33 3hoy h ILE 1027CO -0.88 0.00 0.49 1.21 0.00 0.00 0.00 178.15 178.97 3hoy n GLU 1028N -5.43 -0.04 0.18 2.37 2.13 0.16 -0.15 120.64 119.87 3hoy n GLU 1028Ca -0.13 1.03 -0.07 0.00 0.66 0.00 0.00 57.16 58.65 3hoy n GLU 1028Cb 0.40 -1.90 -0.04 0.00 0.27 0.00 0.00 31.44 30.18 3hoy n GLU 1028CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hoy h LEU 1030N -0.62 -0.21 -0.73 0.00 5.85 -0.37 0.47 115.31 119.68 3hoy h LEU 1030Ca -0.05 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 3hoy h LEU 1030Cb 0.37 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 3hoy h LEU 1030CO 0.08 -0.15 0.44 0.25 -0.34 0.00 0.00 178.44 178.72 3hoy h LEU 1031N 0.15 0.88 -0.69 2.25 5.85 -1.15 -2.43 115.31 120.18 3hoy h LEU 1031Ca 0.45 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.97 3hoy h LEU 1031Cb 0.82 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3hoy h LEU 1031CO -0.64 0.68 -0.52 0.28 -0.34 0.00 0.00 178.44 177.90 3hoy h SER 1032N 1.00 0.40 -0.67 1.25 0.02 0.20 0.69 113.55 116.44 3hoy h SER 1032Ca 0.26 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 3hoy h SER 1032Cb -0.03 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 3hoy h SER 1032CO -0.05 0.85 0.25 0.50 -1.14 0.00 0.00 176.83 177.23 3hoy h LYS 1033N 0.28 1.04 0.00 3.45 3.64 -0.30 0.13 116.57 124.82 3hoy h LYS 1033Ca 0.01 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3hoy h LYS 1033Cb 1.01 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3hoy h LYS 1033CO 0.09 0.87 0.00 0.28 -2.27 0.00 0.00 179.45 178.42 3hoy n VAL 1034N -4.28 0.00 -0.59 2.00 0.31 -0.94 -2.59 118.33 112.24 3hoy n VAL 1034Ca 0.06 1.08 0.48 0.00 -0.01 0.00 0.00 64.34 65.95 3hoy n VAL 1034Cb 0.20 -2.07 0.75 0.00 -0.91 0.00 0.00 33.84 31.80 3hoy n VAL 1034CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hoy h ALA 1035N -2.00 3.66 0.01 3.52 0.00 -0.79 0.46 119.26 124.12 3hoy h ALA 1035Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3hoy h ALA 1035Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hoy h ALA 1035CO 0.00 -2.26 -0.19 0.00 0.00 0.00 0.00 179.25 176.80 3hoy h ALA 1036N 0.93 0.01 -0.01 0.00 0.00 -0.76 0.04 119.26 119.48 3hoy h ALA 1036Ca 0.83 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3hoy h ALA 1036Cb 3.55 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 21.35 3hoy h ALA 1036CO -0.01 0.04 -0.05 -0.07 0.00 0.00 0.00 179.25 179.16 3hoy h LEU 1037N -0.62 0.02 -0.73 0.00 3.38 0.13 -2.96 115.31 114.53 3hoy h LEU 1037Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hoy h LEU 1037Cb 0.98 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3hoy h LEU 1037CO 0.04 0.07 -0.49 -1.54 0.09 0.00 0.00 178.44 176.61 3hoy n SER 1038N -4.47 1.59 -3.77 -0.43 3.41 -0.47 -5.01 113.62 104.48 3hoy n SER 1038Ca -0.03 -1.29 -0.22 0.00 -0.26 0.00 0.00 58.87 57.06 3hoy n SER 1038Cb 0.14 0.59 0.02 0.00 -0.26 0.00 0.00 64.21 64.70 3hoy n SER 1038CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hoy n GLY 1039N 1.30 -0.27 2.77 5.00 0.00 -0.02 -4.97 105.19 108.99 3hoy n GLY 1039Ca 0.07 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3hoy n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hoy s ASN 1040N -4.35 1.75 -0.60 1.61 0.01 -1.05 -5.07 114.94 107.24 3hoy s ASN 1040Ca 0.01 -0.17 -0.34 0.00 -0.71 0.00 0.00 52.86 51.65 3hoy s ASN 1040Cb -0.01 -0.47 -0.16 0.00 0.41 0.00 0.00 41.25 41.03 3hoy s ASN 1040CO 0.83 -0.20 2.37 1.21 -1.51 0.00 0.00 177.10 179.79 3hoy n GLU 1041N 5.13 0.52 -1.88 -0.60 2.13 -1.26 -4.54 120.64 120.13 3hoy n GLU 1041Ca -0.07 0.10 -0.42 0.00 0.66 0.00 0.00 57.16 57.42 3hoy n GLU 1041Cb 0.50 -2.11 -0.03 0.00 0.27 0.00 0.00 31.44 30.06 3hoy n GLU 1041CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3hoy s GLY 1042N 8.28 1.47 -0.29 8.31 0.00 -1.25 -4.91 107.32 118.94 3hoy s GLY 1042Ca 1.18 1.06 -0.24 0.00 0.00 0.00 0.00 44.72 46.72 3hoy s GLY 1042CO 0.49 3.21 0.82 -0.35 0.00 0.00 0.00 173.10 177.28 3hoy s ASP 1043N 3.88 6.73 -0.16 1.64 2.15 -1.26 0.25 116.67 129.89 3hoy s ASP 1043Ca 0.79 0.79 0.15 0.00 0.43 0.00 0.00 52.55 54.71 3hoy s ASP 1043Cb -0.36 -2.43 0.35 0.00 -0.30 0.00 0.00 42.92 40.18 3hoy s ASP 1043CO 0.34 -0.61 1.18 0.00 -0.17 0.00 0.00 175.17 175.91 3hoy n ALA 1044N 6.21 2.94 -1.48 3.66 0.00 0.11 -4.84 120.51 127.12 3hoy n ALA 1044Ca 0.05 -2.93 -0.36 0.00 0.00 0.00 0.00 53.44 50.20 3hoy n ALA 1044Cb 0.48 -0.37 0.09 0.00 0.00 0.00 0.00 19.45 19.64 3hoy n ALA 1044CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hoy n SER 1045N -1.24 1.39 0.00 0.00 7.64 -1.01 -1.89 113.62 118.52 3hoy n SER 1045Ca 0.17 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.78 3hoy n SER 1045Cb 0.67 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 3hoy n SER 1045CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3hoy n PRO 1046N -2.23 0.00 -2.65 1.43 -0.02 -1.26 -4.39 135.00 125.88 3hoy n PRO 1046Ca 0.15 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.20 3hoy n PRO 1046Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.94 3hoy n PRO 1046CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3hoy s PHE 1047N 0.00 2.62 0.19 6.00 0.40 -1.26 -4.85 117.98 121.09 3hoy s PHE 1047Ca 0.00 0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.55 3hoy s PHE 1047Cb 0.00 -4.41 0.00 0.00 0.51 0.00 0.00 43.02 39.13 3hoy s PHE 1047CO 0.00 -1.58 0.26 0.25 0.70 0.00 0.00 175.22 174.85 3hoy n THR 1048N 6.49 0.00 0.66 0.64 -2.24 -1.26 -4.99 114.28 113.58 3hoy n THR 1048Ca 0.06 -0.99 0.11 0.00 -2.27 0.00 0.00 64.05 60.96 3hoy n THR 1048Cb 0.48 0.60 0.28 0.00 -2.10 0.00 0.00 70.33 69.59 3hoy n THR 1048CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hoy n ASP 1049N -1.87 2.64 -4.76 3.42 8.00 -1.26 -4.94 116.55 117.78 3hoy n ASP 1049Ca 0.00 -1.89 -0.40 0.00 0.71 0.00 0.00 54.79 53.21 3hoy n ASP 1049Cb 0.32 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 3hoy n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hoy s ILE 1050N -1.56 3.18 0.18 0.53 1.01 -1.26 -4.97 121.20 118.31 3hoy s ILE 1050Ca 0.35 1.17 0.02 0.00 0.00 0.00 0.00 60.65 62.20 3hoy s ILE 1050Cb 0.20 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 3hoy s ILE 1050CO 0.28 0.26 -0.02 0.42 0.00 0.00 0.00 174.94 175.88 3hoy s THR 1051N -1.19 0.81 0.34 2.92 -4.23 -1.26 -5.00 115.64 108.03 3hoy s THR 1051Ca 0.47 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.31 3hoy s THR 1051Cb -0.34 -2.10 0.35 0.00 1.34 0.00 0.00 72.50 71.75 3hoy s THR 1051CO 0.45 -0.51 2.09 0.58 -0.54 0.00 0.00 174.62 176.69 3hoy h VAL 1052N 2.68 0.26 0.06 2.29 2.07 -1.95 -1.20 116.25 120.46 3hoy h VAL 1052Ca -0.37 -0.47 -0.27 0.00 0.82 0.00 0.00 66.70 66.41 3hoy h VAL 1052Cb 1.20 1.37 0.02 0.00 -1.52 0.00 0.00 31.29 32.36 3hoy h VAL 1052CO 0.63 0.06 -1.13 -0.33 0.02 0.00 0.00 177.57 176.83 3hoy h GLU 1053N 0.00 0.58 0.10 1.57 4.39 -1.94 -2.16 114.58 117.12 3hoy h GLU 1053Ca -0.00 -0.71 -0.00 0.00 0.34 0.00 0.00 59.36 58.98 3hoy h GLU 1053Cb 0.36 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3hoy h GLU 1053CO 0.01 1.30 -0.05 0.78 -1.16 0.00 0.00 179.01 179.89 3hoy h GLY 1054N 0.61 -0.14 0.95 -3.84 0.00 -1.70 -2.16 103.07 96.78 3hoy h GLY 1054Ca -0.15 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.24 3hoy h GLY 1054CO 0.21 -0.05 -0.00 -2.22 0.00 0.00 0.00 176.54 174.48 3hoy h ILE 1055N -0.40 0.97 -0.99 2.60 2.04 -1.36 -1.85 117.51 118.53 3hoy h ILE 1055Ca -0.01 -0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.09 3hoy h ILE 1055Cb 0.33 0.97 -0.13 0.00 -0.74 0.00 0.00 36.82 37.25 3hoy h ILE 1055CO 0.02 0.00 0.57 0.28 0.00 0.00 0.00 178.15 179.02 3hoy h SER 1056N 0.01 0.62 -0.38 1.72 0.02 -1.33 0.15 113.55 114.35 3hoy h SER 1056Ca 0.02 0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 3hoy h SER 1056Cb 0.02 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3hoy h SER 1056CO -0.03 0.06 -0.10 0.11 -1.14 0.00 0.00 176.83 175.74 3hoy h LYS 1057N 0.53 0.74 -0.91 3.45 1.57 -0.67 -2.58 116.57 118.70 3hoy h LYS 1057Ca 0.65 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 3hoy h LYS 1057Cb 1.26 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 3hoy h LYS 1057CO -0.50 0.89 0.50 -0.07 -0.57 0.00 0.00 179.45 179.70 3hoy h LEU 1058N 0.54 1.13 -0.99 2.94 3.38 -0.14 -2.52 115.31 119.65 3hoy h LEU 1058Ca 0.10 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3hoy h LEU 1058Cb 0.62 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3hoy h LEU 1058CO 0.04 0.90 -0.11 0.25 0.09 0.00 0.00 178.44 179.61 3hoy h LEU 1059N 1.27 0.59 -1.30 1.67 5.85 -1.02 -2.01 115.31 120.36 3hoy h LEU 1059Ca 0.32 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 3hoy h LEU 1059Cb 0.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3hoy h LEU 1059CO -0.05 0.73 -0.19 -0.09 -0.34 0.00 0.00 178.44 178.50 3hoy h ARG 1060N 0.56 0.23 -0.46 1.25 9.65 -1.08 -1.66 114.38 122.87 3hoy h ARG 1060Ca 0.10 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 3hoy h ARG 1060Cb 0.52 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 3hoy h ARG 1060CO 0.03 0.43 0.00 0.39 2.80 0.00 0.00 179.97 183.62 3hoy n GLU 1061N -4.22 0.51 0.00 0.20 1.02 -0.76 -2.18 120.64 115.21 3hoy n GLU 1061Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3hoy n GLU 1061Cb 0.32 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 3hoy n GLU 1061CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hoy n HIS 1062N 0.17 0.00 0.00 -0.32 8.25 -0.62 -5.01 115.22 117.69 3hoy n HIS 1062Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hoy n HIS 1062Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3hoy n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hoy n GLY 1063N 0.14 0.43 3.94 -1.41 0.00 -0.93 -5.08 105.19 102.27 3hoy n GLY 1063Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3hoy n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hoy s TYR 1064N -2.00 3.48 0.49 1.61 1.51 -1.23 -5.04 117.35 116.17 3hoy s TYR 1064Ca 0.00 0.32 -0.21 0.00 -1.01 0.00 0.00 57.07 56.17 3hoy s TYR 1064Cb 0.00 -1.85 -0.10 0.00 -0.11 0.00 0.00 41.96 39.90 3hoy s TYR 1064CO 0.00 0.26 0.77 0.94 -1.11 0.00 0.00 175.55 176.41 3hoy n GLN 1065N -1.28 0.87 -0.04 -0.62 -0.06 -1.26 -4.00 117.38 111.00 3hoy n GLN 1065Ca -0.05 0.32 0.09 0.00 -2.00 0.00 0.00 57.00 55.37 3hoy n GLN 1065Cb 0.55 -1.85 0.43 0.00 -4.06 0.00 0.00 30.24 25.32 3hoy n GLN 1065CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 3hoy n SER 1066N 0.48 0.88 0.00 1.69 3.41 -1.26 -3.62 113.62 115.19 3hoy n SER 1066Ca 0.11 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 3hoy n SER 1066Cb 0.43 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 3hoy n SER 1066CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hoy n ARG 1067N -0.19 1.11 0.00 4.33 5.12 -1.26 -4.37 116.66 121.39 3hoy n ARG 1067Ca 0.14 -0.93 0.00 0.00 -1.93 0.00 0.00 57.85 55.14 3hoy n ARG 1067Cb 0.20 -0.89 0.00 0.00 -1.16 0.00 0.00 32.46 30.61 3hoy n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hoy n GLY 1068N -0.24 2.15 0.76 -0.13 0.00 -1.24 -4.95 105.19 101.55 3hoy n GLY 1068Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 3hoy n GLY 1068CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hoy n PHE 1069N 0.00 -0.25 -3.90 1.61 3.01 -1.25 -4.29 117.46 112.38 3hoy n PHE 1069Ca 0.00 0.19 -0.10 0.00 1.01 0.00 0.00 57.45 58.55 3hoy n PHE 1069Cb 0.00 -0.43 -0.09 0.00 -0.01 0.00 0.00 39.48 38.95 3hoy n PHE 1069CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3hoy s GLU 1070N -0.23 0.56 0.37 -1.08 2.02 -0.94 -4.22 118.70 115.17 3hoy s GLU 1070Ca 0.14 -0.60 -0.20 0.00 0.02 0.00 0.00 54.97 54.32 3hoy s GLU 1070Cb -0.18 0.23 -0.10 0.00 0.10 0.00 0.00 34.13 34.17 3hoy s GLU 1070CO 0.13 -0.14 0.88 0.08 0.02 0.00 0.00 175.26 176.23 3hoy s VAL 1071N -2.13 4.44 0.11 2.63 1.01 -1.26 -1.67 120.40 123.53 3hoy s VAL 1071Ca -0.09 1.41 -0.00 0.00 0.00 0.00 0.00 61.98 63.30 3hoy s VAL 1071Cb -0.04 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3hoy s VAL 1071CO -0.02 -0.15 0.00 -0.04 0.00 0.00 0.00 175.10 174.89 3hoy s MET 1072N -2.80 0.86 0.00 2.72 -1.94 -1.26 -4.37 119.30 112.51 3hoy s MET 1072Ca 0.56 -1.38 0.08 0.00 -1.71 0.00 0.00 55.69 53.24 3hoy s MET 1072Cb -0.12 0.06 -0.02 0.00 2.01 0.00 0.00 34.83 36.76 3hoy s MET 1072CO 0.17 -0.16 -0.24 0.71 -0.01 0.00 0.00 175.02 175.49 3hoy s TYR 1073N -3.87 2.17 -0.42 -0.03 1.51 0.72 0.81 117.35 118.24 3hoy s TYR 1073Ca 0.17 -0.41 -0.28 0.00 -1.01 0.00 0.00 57.07 55.54 3hoy s TYR 1073Cb 0.07 -1.36 -0.00 0.00 -0.11 0.00 0.00 41.96 40.56 3hoy s TYR 1073CO -0.02 0.01 1.58 1.21 -1.11 0.00 0.00 175.55 177.22 3hoy s ASN 1074N -0.79 6.08 0.65 2.29 3.84 -0.38 -1.58 114.94 125.05 3hoy s ASN 1074Ca 0.10 0.88 0.18 0.00 0.21 0.00 0.00 52.86 54.23 3hoy s ASN 1074Cb -0.09 -2.54 0.91 0.00 -0.55 0.00 0.00 41.25 38.99 3hoy s ASN 1074CO 0.00 -1.64 1.50 1.23 -2.79 0.00 0.00 177.10 175.40 3hoy h GLY 1075N 13.14 0.00 0.38 1.21 0.00 -1.70 0.75 103.07 116.85 3hoy h GLY 1075Ca -0.29 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3hoy h GLY 1075CO 1.09 0.00 -0.17 0.45 0.00 0.00 0.00 176.54 177.91 3hoy h HIS 1076N 0.00 -0.45 0.00 5.60 3.86 -1.78 -3.39 115.15 119.00 3hoy h HIS 1076Ca 0.08 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3hoy h HIS 1076Cb 1.48 0.15 -0.00 0.00 1.06 0.00 0.00 27.41 30.10 3hoy h HIS 1076CO 0.00 -0.24 -1.59 0.25 0.86 0.00 0.00 177.93 177.20 3hoy n THR 1077N -5.10 0.27 0.00 2.45 -2.24 -0.81 -4.96 114.28 103.88 3hoy n THR 1077Ca -0.07 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3hoy n THR 1077Cb 0.21 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3hoy n THR 1077CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hoy n GLY 1078N 1.23 2.21 3.79 3.38 0.00 0.25 -5.01 105.19 111.04 3hoy n GLY 1078Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3hoy n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hoy s LYS 1079N -0.28 3.22 0.69 1.61 2.20 -1.26 -4.59 119.74 121.33 3hoy s LYS 1079Ca 0.00 1.30 -0.15 0.00 -0.36 0.00 0.00 55.97 56.76 3hoy s LYS 1079Cb 0.00 -2.01 0.01 0.00 -1.51 0.00 0.00 37.83 34.32 3hoy s LYS 1079CO 0.00 -0.91 1.16 0.15 -0.36 0.00 0.00 175.35 175.40 3hoy s LYS 1080N -3.94 2.51 -0.32 4.03 1.02 -1.26 -1.25 119.74 120.52 3hoy s LYS 1080Ca 0.66 1.60 -0.20 0.00 0.02 0.00 0.00 55.97 58.05 3hoy s LYS 1080Cb -0.18 -1.89 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 3hoy s LYS 1080CO 0.36 -1.52 0.61 -0.51 -0.92 0.00 0.00 175.35 173.37 3hoy s LEU 1081N -4.92 4.18 0.62 3.17 1.43 0.24 -4.74 118.68 118.65 3hoy s LEU 1081Ca 0.71 0.33 0.24 0.00 -1.03 0.00 0.00 54.13 54.38 3hoy s LEU 1081Cb -0.25 -2.78 0.98 0.00 0.03 0.00 0.00 46.19 44.17 3hoy s LEU 1081CO 0.42 -0.49 1.45 -0.03 0.23 0.00 0.00 176.35 177.93 3hoy h MET 1082N 8.26 0.00 -6.62 1.70 1.85 -1.94 -3.39 114.93 114.79 3hoy h MET 1082Ca -0.27 0.00 -0.67 0.00 -0.61 0.00 0.00 59.70 58.15 3hoy h MET 1082Cb 1.12 0.00 -0.17 0.00 0.43 0.00 0.00 31.60 32.98 3hoy h MET 1082CO 0.80 0.00 -0.76 0.00 -0.40 0.00 0.00 176.91 176.55 3hoy s ALA 1083N -4.39 2.84 0.56 0.39 0.00 -1.26 -5.12 121.76 114.78 3hoy s ALA 1083Ca -0.03 -1.30 -0.03 0.00 0.00 0.00 0.00 51.96 50.60 3hoy s ALA 1083Cb 0.12 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.47 3hoy s ALA 1083CO 0.40 0.61 0.84 -0.65 0.00 0.00 0.00 175.76 176.96 3hoy s GLN 1084N -2.22 2.81 -0.04 0.00 1.11 -1.26 -4.56 119.66 115.49 3hoy s GLN 1084Ca 0.20 -0.28 0.02 0.00 0.01 0.00 0.00 55.36 55.31 3hoy s GLN 1084Cb -0.11 -2.37 0.01 0.00 -1.01 0.00 0.00 33.01 29.54 3hoy s GLN 1084CO 0.12 -0.66 -0.09 0.42 0.01 0.00 0.00 175.29 175.09 3hoy s ILE 1085N -2.88 0.84 0.27 1.08 1.01 -0.67 -4.88 121.20 115.97 3hoy s ILE 1085Ca 0.54 -0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.54 3hoy s ILE 1085Cb -0.10 -0.78 -0.13 0.00 0.01 0.00 0.00 42.46 41.46 3hoy s ILE 1085CO 0.42 0.28 1.46 0.33 0.00 0.00 0.00 174.94 177.43 3hoy n PHE 1086N 3.66 2.43 -3.40 3.97 7.35 -1.26 -2.22 117.46 127.99 3hoy n PHE 1086Ca -0.22 0.39 0.02 0.00 -0.76 0.00 0.00 57.45 56.87 3hoy n PHE 1086Cb 0.52 -2.50 -0.03 0.00 0.35 0.00 0.00 39.48 37.82 3hoy n PHE 1086CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 3hoy s PHE 1087N -0.20 -1.24 -0.01 -5.13 5.99 -1.26 -2.90 117.98 113.23 3hoy s PHE 1087Ca 0.65 1.78 -0.29 0.00 0.00 0.00 0.00 56.93 59.07 3hoy s PHE 1087Cb -0.58 0.61 0.10 0.00 0.00 0.00 0.00 43.02 43.14 3hoy s PHE 1087CO 0.51 -0.64 1.28 0.20 -0.00 0.00 0.00 175.22 176.57 3hoy s GLY 1088N 2.81 -0.19 0.73 13.12 0.00 -1.00 -4.84 107.32 117.95 3hoy s GLY 1088Ca 0.04 0.19 -0.14 0.00 0.00 0.00 0.00 44.72 44.80 3hoy s GLY 1088CO -0.19 4.14 1.14 2.56 0.00 0.00 0.00 173.10 180.76 3hoy s PRO 1089N -2.12 2.31 -0.26 2.90 0.04 -1.26 -1.59 135.00 135.02 3hoy s PRO 1089Ca 0.25 1.50 -0.17 0.00 0.04 0.00 0.00 61.00 62.62 3hoy s PRO 1089Cb 0.01 -1.88 0.07 0.00 0.04 0.00 0.00 34.50 32.74 3hoy s PRO 1089CO -0.01 -1.65 0.65 0.99 0.04 0.00 0.00 177.00 177.01 3hoy s THR 1090N -2.33 -0.00 -0.24 1.26 2.01 -0.60 -4.31 115.64 111.42 3hoy s THR 1090Ca 0.69 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 62.41 3hoy s THR 1090Cb -0.23 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.35 3hoy s THR 1090CO 0.47 0.00 1.34 -0.47 -0.69 0.00 0.00 174.62 175.27 3hoy s TYR 1091N 1.18 2.64 -0.04 4.92 5.04 -1.26 -1.86 117.35 127.97 3hoy s TYR 1091Ca -0.07 0.85 0.05 0.00 -2.44 0.00 0.00 57.07 55.46 3hoy s TYR 1091Cb -0.05 -3.78 -0.02 0.00 0.35 0.00 0.00 41.96 38.45 3hoy s TYR 1091CO -0.12 -1.93 -0.17 0.71 -1.34 0.00 0.00 175.55 172.70 3hoy s TYR 1092N 4.17 2.61 -0.03 4.97 1.51 -0.50 -4.12 117.35 125.97 3hoy s TYR 1092Ca 0.58 -0.23 -0.01 0.00 -1.01 0.00 0.00 57.07 56.40 3hoy s TYR 1092Cb -0.20 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 3hoy s TYR 1092CO 0.21 0.13 0.07 -0.65 -1.11 0.00 0.00 175.55 174.20 3hoy s GLN 1093N -0.71 3.08 -0.62 -0.62 -0.21 0.26 -1.88 119.66 118.97 3hoy s GLN 1093Ca 0.11 -0.44 -0.14 0.00 0.02 0.00 0.00 55.36 54.92 3hoy s GLN 1093Cb -0.10 -2.88 0.16 0.00 1.00 0.00 0.00 33.01 31.18 3hoy s GLN 1093CO 0.00 0.67 0.55 0.50 -2.12 0.00 0.00 175.29 174.89 3hoy s ARG 1094N -1.51 3.06 0.75 2.91 3.52 -1.26 -0.94 118.95 125.48 3hoy s ARG 1094Ca 0.20 -1.98 -0.12 0.00 -0.13 0.00 0.00 55.73 53.70 3hoy s ARG 1094Cb -0.12 -4.24 0.05 0.00 -1.56 0.00 0.00 34.95 29.08 3hoy s ARG 1094CO 0.11 -1.29 1.10 -0.51 -0.81 0.00 0.00 175.30 173.90 3hoy s LEU 1095N 1.05 3.12 0.00 -0.88 1.43 -1.21 -2.01 118.68 120.18 3hoy s LEU 1095Ca 0.09 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 3hoy s LEU 1095Cb -0.23 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.46 3hoy s LEU 1095CO -0.01 -2.01 0.00 -2.11 0.23 0.00 0.00 176.35 172.45 3hoy n ARG 1096N -3.27 1.48 -2.15 1.70 1.85 0.49 -4.70 116.66 112.06 3hoy n ARG 1096Ca 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.93 3hoy n ARG 1096Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 3hoy n ARG 1096CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3hoy n HIS 1097N -0.36 -1.43 -4.33 2.89 8.25 -1.26 -4.67 115.22 114.31 3hoy n HIS 1097Ca 0.00 0.56 -0.31 0.00 -0.26 0.00 0.00 57.72 57.71 3hoy n HIS 1097Cb 0.00 -2.66 -0.10 0.00 1.12 0.00 0.00 29.99 28.35 3hoy n HIS 1097CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3hoy s MET 1098N -2.44 2.41 0.01 -0.41 -1.94 -1.26 -3.64 119.30 112.04 3hoy s MET 1098Ca 0.05 -0.84 -0.04 0.00 -1.71 0.00 0.00 55.69 53.15 3hoy s MET 1098Cb -0.01 -2.44 -0.01 0.00 2.01 0.00 0.00 34.83 34.37 3hoy s MET 1098CO 0.34 0.56 1.06 0.28 -0.01 0.00 0.00 175.02 177.25 3hoy h VAL 1099N 3.44 0.00 0.00 -6.03 2.07 -1.95 -1.26 116.25 112.53 3hoy h VAL 1099Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3hoy h VAL 1099Cb 1.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3hoy h VAL 1099CO 0.54 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.60 3hoy n ASP 1100N -2.91 0.00 -0.28 0.57 8.00 -1.26 0.24 116.55 120.91 3hoy n ASP 1100Ca -0.01 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.53 3hoy n ASP 1100Cb 0.04 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.17 3hoy n ASP 1100CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hoy n ASP 1101N -0.10 1.54 0.00 -2.24 8.00 -0.47 -4.72 116.55 118.56 3hoy n ASP 1101Ca 0.00 -1.27 0.00 0.00 0.71 0.00 0.00 54.79 54.23 3hoy n ASP 1101Cb 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 3hoy n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hoy n LYS 1102N 0.32 0.00 -1.36 -1.24 5.02 0.66 -4.98 118.16 116.58 3hoy n LYS 1102Ca 0.04 0.00 -0.53 0.00 -2.02 0.00 0.00 58.31 55.80 3hoy n LYS 1102Cb 0.18 -0.59 -0.07 0.00 -0.02 0.00 0.00 35.03 34.52 3hoy n LYS 1102CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3hoy n ILE 1103N -2.55 0.00 -3.67 -0.18 3.06 -0.98 -4.95 119.36 110.09 3hoy n ILE 1103Ca 0.00 0.00 -0.09 0.00 -2.50 0.00 0.00 62.75 60.16 3hoy n ILE 1103Cb 0.35 -0.14 -0.09 0.00 0.54 0.00 0.00 39.64 40.31 3hoy n ILE 1103CO 0.00 0.00 0.00 -2.28 -2.50 0.00 0.00 176.55 171.77 3hoy s HIS 1104N 0.83 -0.84 0.00 9.51 2.46 -1.26 -5.01 115.29 120.98 3hoy s HIS 1104Ca 0.82 1.73 0.00 0.00 0.47 0.00 0.00 55.06 58.08 3hoy s HIS 1104Cb -1.15 0.46 -0.00 0.00 -0.13 0.00 0.00 32.58 31.75 3hoy s HIS 1104CO 0.56 -0.44 -0.01 0.00 -2.47 0.00 0.00 174.74 172.38 3hoy s ALA 1105N 1.51 0.11 0.03 1.58 0.00 -1.26 -5.09 121.76 118.64 3hoy s ALA 1105Ca -0.10 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.78 3hoy s ALA 1105Cb -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3hoy s ALA 1105CO -0.16 0.02 -0.05 0.50 0.00 0.00 0.00 175.76 176.06 3hoy s ARG 1106N -0.13 0.40 -0.28 0.00 3.52 -1.26 -5.03 118.95 116.17 3hoy s ARG 1106Ca -0.01 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 54.97 3hoy s ARG 1106Cb -0.01 -0.11 0.15 0.00 -1.56 0.00 0.00 34.95 33.41 3hoy s ARG 1106CO -0.00 0.01 0.36 0.00 -0.81 0.00 0.00 175.30 174.86 3hoy s ALA 1107N -1.28 -0.94 -0.27 6.12 0.00 -1.26 -4.99 121.76 119.14 3hoy s ALA 1107Ca -0.11 0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 3hoy s ALA 1107Cb -0.09 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.15 3hoy s ALA 1107CO -0.00 -1.62 0.10 -2.13 0.00 0.00 0.00 175.76 172.11 3hoy n ARG 1108N 5.34 -2.73 -0.60 0.00 0.63 -1.26 -5.06 116.66 112.99 3hoy n ARG 1108Ca -0.01 2.31 0.00 0.00 -0.92 0.00 0.00 57.85 59.22 3hoy n ARG 1108Cb 0.49 -4.53 0.00 0.00 0.45 0.00 0.00 32.46 28.87 3hoy n ARG 1108CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hoy n GLY 1109N 0.65 6.25 3.61 5.14 0.00 -1.26 -5.12 105.19 114.47 3hoy n GLY 1109Ca 0.01 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 3hoy n GLY 1109CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hoy n PRO 1110N 0.00 0.77 -4.41 1.61 -0.04 -1.26 -4.93 135.00 126.74 3hoy n PRO 1110Ca 0.00 0.31 -0.25 0.00 -0.04 0.00 0.00 63.50 63.51 3hoy n PRO 1110Cb 0.00 -2.17 -0.11 0.00 -0.04 0.00 0.00 33.50 31.17 3hoy n PRO 1110CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3hoy s MET 1111N -2.92 1.49 1.28 0.54 -1.94 -1.26 -2.71 119.30 113.77 3hoy s MET 1111Ca 0.76 -1.54 -0.19 0.00 -1.71 0.00 0.00 55.69 53.02 3hoy s MET 1111Cb -0.39 -1.73 0.31 0.00 2.01 0.00 0.00 34.83 35.03 3hoy s MET 1111CO 0.47 0.36 1.01 -1.14 -0.01 0.00 0.00 175.02 175.71 3hoy s GLN 1112N -2.81 -1.79 -0.27 2.03 0.74 0.35 -4.76 119.66 113.15 3hoy s GLN 1112Ca 0.21 0.29 -0.04 0.00 0.05 0.00 0.00 55.36 55.87 3hoy s GLN 1112Cb -0.07 -1.50 -0.15 0.00 1.10 0.00 0.00 33.01 32.39 3hoy s GLN 1112CO 0.10 -4.16 -0.28 0.28 -0.55 0.00 0.00 175.29 170.68 3hoy n VAL 1113N -5.15 1.49 0.20 1.34 0.31 -1.26 -3.71 118.33 111.55 3hoy n VAL 1113Ca 0.09 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.84 3hoy n VAL 1113Cb 0.58 -1.59 -0.04 0.00 -0.91 0.00 0.00 33.84 31.88 3hoy n VAL 1113CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3hoy h LEU 1114N -0.38 -0.49 -0.11 7.52 5.85 -1.97 -3.33 115.31 122.40 3hoy h LEU 1114Ca -0.62 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.11 3hoy h LEU 1114Cb 1.79 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.94 3hoy h LEU 1114CO -0.22 -0.06 -0.12 0.35 -0.34 0.00 0.00 178.44 178.05 3hoy n THR 1115N -5.16 0.00 -3.15 1.05 -2.24 -1.26 -4.93 114.28 98.59 3hoy n THR 1115Ca -0.07 -0.03 -0.22 0.00 -2.27 0.00 0.00 64.05 61.46 3hoy n THR 1115Cb 0.23 -0.21 0.01 0.00 -2.10 0.00 0.00 70.33 68.25 3hoy n THR 1115CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hoy n ARG 1116N -1.20 -3.69 -3.99 -0.78 1.74 -1.24 -4.28 116.66 103.21 3hoy n ARG 1116Ca 0.12 0.62 -0.24 0.00 -0.77 0.00 0.00 57.85 57.58 3hoy n ARG 1116Cb 0.29 -5.36 -0.06 0.00 -1.02 0.00 0.00 32.46 26.31 3hoy n ARG 1116CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3hoy s GLN 1117N -5.81 2.31 0.42 5.56 -0.21 -1.26 -4.60 119.66 116.07 3hoy s GLN 1117Ca 0.32 -1.75 -0.27 0.00 0.02 0.00 0.00 55.36 53.69 3hoy s GLN 1117Cb -0.16 -2.09 -0.09 0.00 1.00 0.00 0.00 33.01 31.66 3hoy s GLN 1117CO 0.40 -0.12 1.47 -2.14 -2.12 0.00 0.00 175.29 172.78 3hoy s PRO 1118N -3.96 3.86 0.82 2.91 0.02 -1.26 0.13 135.00 137.52 3hoy s PRO 1118Ca 0.43 2.52 -0.11 0.00 0.02 0.00 0.00 61.00 63.85 3hoy s PRO 1118Cb 0.02 -2.79 0.08 0.00 0.02 0.00 0.00 34.50 31.83 3hoy s PRO 1118CO 0.24 -0.72 1.09 0.14 -0.33 0.00 0.00 177.00 177.42 3hoy s VAL 1119N -1.16 3.03 -0.04 3.83 -7.23 -1.10 -4.60 120.40 113.13 3hoy s VAL 1119Ca 0.57 0.33 -0.08 0.00 -1.81 0.00 0.00 61.98 61.00 3hoy s VAL 1119Cb -0.46 -2.96 -0.05 0.00 0.56 0.00 0.00 36.38 33.48 3hoy s VAL 1119CO 0.60 -0.44 0.24 -0.70 -0.31 0.00 0.00 175.10 174.50 3hoy s GLU 1120N -5.04 3.59 0.00 4.82 2.12 -1.26 -2.54 118.70 120.39 3hoy s GLU 1120Ca 0.61 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.94 3hoy s GLU 1120Cb -0.16 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.08 3hoy s GLU 1120CO 0.55 0.71 0.00 0.41 -0.54 0.00 0.00 175.26 176.39 3hoy n GLY 1121N 1.58 1.80 0.36 -1.50 0.00 -1.26 -4.54 105.19 101.62 3hoy n GLY 1121Ca -0.15 -1.13 0.18 0.00 0.00 0.00 0.00 46.02 44.92 3hoy n GLY 1121CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hoy h ARG 1122N 0.00 0.00 -0.42 1.61 2.43 -1.94 0.31 114.38 116.36 3hoy h ARG 1122Ca 0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 3hoy h ARG 1122Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3hoy h ARG 1122CO 0.00 0.00 -0.12 0.66 -1.51 0.00 0.00 179.97 179.00 3hoy h SER 1123N 0.00 0.75 -0.38 -3.80 4.64 -1.97 -2.76 113.55 110.03 3hoy h SER 1123Ca 0.17 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3hoy h SER 1123Cb 0.77 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3hoy h SER 1123CO -0.00 0.89 0.00 0.54 -0.87 0.00 0.00 176.83 177.39 3hoy n ARG 1124N -4.16 2.25 -3.30 4.77 1.74 0.96 -4.95 116.66 113.98 3hoy n ARG 1124Ca 0.01 -1.91 -0.16 0.00 -0.77 0.00 0.00 57.85 55.03 3hoy n ARG 1124Cb 0.37 -1.46 0.08 0.00 -1.02 0.00 0.00 32.46 30.43 3hoy n ARG 1124CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hoy n ASP 1125N 1.10 -2.29 -4.29 0.55 2.03 -0.50 -4.81 116.55 108.33 3hoy n ASP 1125Ca 0.18 -0.55 -0.19 0.00 0.52 0.00 0.00 54.79 54.75 3hoy n ASP 1125Cb 0.50 -4.66 0.09 0.00 -0.72 0.00 0.00 41.12 36.33 3hoy n ASP 1125CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hoy n GLY 1126N -1.16 1.04 3.94 0.27 0.00 -0.85 -4.35 105.19 104.07 3hoy n GLY 1126Ca -0.24 -2.08 -0.19 0.00 0.00 0.00 0.00 46.02 43.51 3hoy n GLY 1126CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hoy s GLY 1127N -4.60 1.91 0.79 -0.02 0.00 -1.05 -4.69 107.32 99.67 3hoy s GLY 1127Ca 0.56 -1.69 -0.11 0.00 0.00 0.00 0.00 44.72 43.48 3hoy s GLY 1127CO 0.37 -1.54 1.15 1.08 0.00 0.00 0.00 173.10 174.15 3hoy s LEU 1128N -4.20 2.58 -0.26 0.66 1.43 -1.26 -4.74 118.68 112.88 3hoy s LEU 1128Ca 0.49 0.69 -0.10 0.00 -1.03 0.00 0.00 54.13 54.18 3hoy s LEU 1128Cb -0.07 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 3hoy s LEU 1128CO 0.30 -1.87 0.15 -0.60 0.23 0.00 0.00 176.35 174.56 3hoy s ARG 1129N -5.52 3.87 -0.83 1.70 3.52 -1.26 -4.98 118.95 115.45 3hoy s ARG 1129Ca 0.62 -0.36 -0.18 0.00 -0.13 0.00 0.00 55.73 55.68 3hoy s ARG 1129Cb -0.11 -3.54 0.15 0.00 -1.56 0.00 0.00 34.95 29.89 3hoy s ARG 1129CO 0.48 -0.15 0.96 0.12 -0.81 0.00 0.00 175.30 175.90 3hoy s PHE 1130N 1.62 3.24 0.00 5.12 5.36 -1.26 -4.99 117.98 127.07 3hoy s PHE 1130Ca 0.07 -1.42 0.00 0.00 -0.96 0.00 0.00 56.93 54.61 3hoy s PHE 1130Cb -0.15 -4.12 0.00 0.00 -0.34 0.00 0.00 43.02 38.40 3hoy s PHE 1130CO 0.08 -1.34 0.00 0.41 -1.46 0.00 0.00 175.22 172.91 3hoy n GLY 1131N 5.06 0.17 0.27 13.12 0.00 -1.26 -4.80 105.19 117.75 3hoy n GLY 1131Ca 0.14 -1.86 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 3hoy n GLY 1131CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hoy h GLU 1132N 0.00 -0.19 -0.52 1.61 5.08 -1.99 -0.62 114.58 117.95 3hoy h GLU 1132Ca 0.00 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3hoy h GLU 1132Cb 0.00 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3hoy h GLU 1132CO 0.00 -0.13 0.00 0.52 -1.00 0.00 0.00 179.01 178.40 3hoy h MET 1133N -0.20 0.88 -0.29 2.33 2.86 -1.99 -0.51 114.93 118.01 3hoy h MET 1133Ca 0.16 -0.25 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 3hoy h MET 1133Cb 0.45 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3hoy h MET 1133CO -0.44 0.87 -0.13 0.93 1.06 0.00 0.00 176.91 179.21 3hoy h GLU 1134N 0.81 0.49 -0.30 1.72 3.07 -1.81 -2.38 114.58 116.18 3hoy h GLU 1134Ca 0.15 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 3hoy h GLU 1134Cb 0.48 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 3hoy h GLU 1134CO 0.02 0.61 0.12 -0.09 -1.40 0.00 0.00 179.01 178.27 3hoy h ARG 1135N 0.45 0.44 -0.29 2.33 2.43 -0.09 -2.12 114.38 117.53 3hoy h ARG 1135Ca 0.08 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3hoy h ARG 1135Cb 0.49 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3hoy h ARG 1135CO 0.03 0.46 0.21 -0.44 -1.51 0.00 0.00 179.97 178.71 3hoy h ASP 1136N 0.33 0.01 -0.13 -3.80 3.32 -0.65 -1.87 116.42 113.64 3hoy h ASP 1136Ca 0.10 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 3hoy h ASP 1136Cb 0.18 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3hoy h ASP 1136CO -0.01 0.01 -0.26 0.00 -1.72 0.00 0.00 179.24 177.26 3hoy h MET 1138N 0.01 0.85 -0.46 0.00 2.86 -1.21 0.87 114.93 117.85 3hoy h MET 1138Ca 0.01 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3hoy h MET 1138Cb 0.84 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 3hoy h MET 1138CO 0.06 0.62 0.28 0.82 1.06 0.00 0.00 176.91 179.75 3hoy h ILE 1139N 0.86 1.14 -0.45 -1.22 2.04 -1.13 0.48 117.51 119.23 3hoy h ILE 1139Ca 0.22 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.82 3hoy h ILE 1139Cb 0.01 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 3hoy h ILE 1139CO -0.04 0.14 0.19 0.00 0.00 0.00 0.00 178.15 178.45 3hoy h ALA 1140N 1.14 0.56 0.00 1.87 0.00 0.56 -1.00 119.26 122.38 3hoy h ALA 1140Ca 0.17 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3hoy h ALA 1140Cb -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hoy h ALA 1140CO -0.03 -0.18 -0.13 0.45 0.00 0.00 0.00 179.25 179.36 3hoy h HIS 1141N 0.39 0.00 0.00 0.00 3.86 -0.29 -3.46 115.15 115.65 3hoy h HIS 1141Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3hoy h HIS 1141Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3hoy h HIS 1141CO -0.13 0.13 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3hoy n GLY 1142N -0.66 0.52 2.64 2.45 0.00 0.10 -4.92 105.19 105.32 3hoy n GLY 1142Ca -0.02 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 3hoy n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hoy n ALA 1143N 0.50 6.03 -0.07 4.61 0.00 -0.86 -4.79 120.51 125.95 3hoy n ALA 1143Ca 0.00 -3.82 -0.12 0.00 0.00 0.00 0.00 53.44 49.50 3hoy n ALA 1143Cb 0.00 -3.46 -0.06 0.00 0.00 0.00 0.00 19.45 15.93 3hoy n ALA 1143CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hoy h ALA 1144N 5.73 -0.56 0.28 0.00 0.00 -1.91 -2.12 119.26 120.68 3hoy h ALA 1144Ca 0.63 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 3hoy h ALA 1144Cb 0.55 0.87 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3hoy h ALA 1144CO 1.85 -0.92 -0.13 0.77 0.00 0.00 0.00 179.25 180.81 3hoy h SER 1145N -0.42 -0.31 -0.88 0.00 0.02 -1.99 -2.49 113.55 107.47 3hoy h SER 1145Ca 0.10 -0.11 0.23 0.00 -0.84 0.00 0.00 61.79 61.16 3hoy h SER 1145Cb 0.61 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.18 3hoy h SER 1145CO -0.49 -0.07 0.61 0.15 -1.14 0.00 0.00 176.83 175.88 3hoy h PHE 1146N -0.55 0.29 -0.13 3.45 3.57 -1.94 0.33 116.94 121.95 3hoy h PHE 1146Ca -0.04 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 3hoy h PHE 1146Cb 0.41 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 3hoy h PHE 1146CO -0.01 0.07 -0.06 1.25 -2.23 0.00 0.00 178.31 177.33 3hoy h LEU 1147N 0.21 0.28 -1.68 0.59 6.46 -1.16 -1.92 115.31 118.10 3hoy h LEU 1147Ca 0.44 -0.41 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 3hoy h LEU 1147Cb 1.40 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.25 3hoy h LEU 1147CO -0.10 0.63 -0.19 0.50 -0.62 0.00 0.00 178.44 178.66 3hoy h LYS 1148N -0.07 0.00 0.19 1.25 3.11 -0.37 -2.14 116.57 118.54 3hoy h LYS 1148Ca 0.03 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.86 3hoy h LYS 1148Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.75 3hoy h LYS 1148CO 0.02 0.19 -0.09 1.49 -2.81 0.00 0.00 179.45 178.25 3hoy h GLU 1149N 0.00 -0.24 -0.14 1.90 4.81 -0.18 -0.83 114.58 119.89 3hoy h GLU 1149Ca -0.00 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3hoy h GLU 1149Cb 0.37 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.74 3hoy h GLU 1149CO 0.02 0.12 -0.36 0.00 -0.73 0.00 0.00 179.01 178.06 3hoy h ARG 1150N -0.64 -0.41 -0.34 1.92 2.47 -0.96 -1.90 114.38 114.51 3hoy h ARG 1150Ca -0.03 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3hoy h ARG 1150Cb 0.47 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.86 3hoy h ARG 1150CO 0.04 -0.27 0.08 -0.07 0.56 0.00 0.00 179.97 180.31 3hoy h LEU 1151N -0.43 0.45 0.00 3.04 4.07 -1.41 -3.31 115.31 117.72 3hoy h LEU 1151Ca 0.09 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3hoy h LEU 1151Cb 0.58 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.20 3hoy h LEU 1151CO -0.38 0.45 0.00 0.23 -1.08 0.00 0.00 178.44 177.67 3hoy n MET 1152N -4.35 0.00 -0.29 1.13 2.81 -0.32 -3.67 117.12 112.43 3hoy n MET 1152Ca 0.02 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.02 3hoy n MET 1152Cb 0.18 0.00 0.26 0.00 -0.71 0.00 0.00 33.22 32.95 3hoy n MET 1152CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3hoy h GLU 1153N 0.00 0.26 -0.92 0.03 3.07 -1.65 -1.22 114.58 114.15 3hoy h GLU 1153Ca 0.00 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 58.71 3hoy h GLU 1153Cb 0.00 -0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 27.77 3hoy h GLU 1153CO 0.00 0.17 0.17 0.00 -1.40 0.00 0.00 179.01 177.95 3hoy n ALA 1154N -2.65 3.57 -2.00 3.43 0.00 -0.74 -4.85 120.51 117.26 3hoy n ALA 1154Ca 0.19 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.52 3hoy n ALA 1154Cb 0.61 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3hoy n ALA 1154CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hoy n SER 1155N -0.01 0.00 0.00 0.00 2.88 -0.46 -4.90 113.62 111.13 3hoy n SER 1155Ca 0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 3hoy n SER 1155Cb 0.88 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 3hoy n SER 1155CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3hoy n ASP 1156N 0.00 0.00 -2.25 -3.46 8.00 -1.23 -4.87 116.55 112.74 3hoy n ASP 1156Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 3hoy n ASP 1156Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 3hoy n ASP 1156CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hoy n ALA 1157N -3.00 -2.39 -2.30 2.24 0.00 -1.26 -4.72 120.51 109.09 3hoy n ALA 1157Ca 0.00 0.74 -0.16 0.00 0.00 0.00 0.00 53.44 54.03 3hoy n ALA 1157Cb 0.00 -1.83 -0.10 0.00 0.00 0.00 0.00 19.45 17.51 3hoy n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hoy s PHE 1158N -0.54 1.45 -0.54 0.00 5.36 -0.04 -4.69 117.98 118.97 3hoy s PHE 1158Ca -0.05 -1.07 0.04 0.00 -0.96 0.00 0.00 56.93 54.89 3hoy s PHE 1158Cb 0.00 -0.84 0.15 0.00 -0.34 0.00 0.00 43.02 41.99 3hoy s PHE 1158CO 0.12 -0.22 0.34 0.50 -1.46 0.00 0.00 175.22 174.50 3hoy s ARG 1159N -3.96 1.80 0.48 10.12 3.00 -1.26 -2.37 118.95 126.75 3hoy s ARG 1159Ca 0.31 -2.61 -0.03 0.00 -1.00 0.00 0.00 55.73 52.40 3hoy s ARG 1159Cb 0.07 -2.82 -0.01 0.00 0.00 0.00 0.00 34.95 32.18 3hoy s ARG 1159CO 0.09 -1.22 0.74 0.14 0.00 0.00 0.00 175.30 175.06 3hoy s VAL 1160N -0.44 4.34 -0.21 7.11 -7.23 -1.09 -4.81 120.40 118.08 3hoy s VAL 1160Ca 0.22 -0.18 -0.06 0.00 -1.81 0.00 0.00 61.98 60.15 3hoy s VAL 1160Cb -0.15 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.12 3hoy s VAL 1160CO -0.08 -0.55 0.04 -1.00 -0.31 0.00 0.00 175.10 173.20 3hoy s HIS 1161N -2.67 3.11 0.21 2.82 3.76 -1.26 -0.82 115.29 120.43 3hoy s HIS 1161Ca 0.48 -0.29 0.02 0.00 -0.15 0.00 0.00 55.06 55.13 3hoy s HIS 1161Cb -0.10 -2.12 -0.03 0.00 1.11 0.00 0.00 32.58 31.43 3hoy s HIS 1161CO 0.41 -0.16 0.36 0.42 -0.85 0.00 0.00 174.74 174.92 3hoy s ILE 1162N 0.98 5.26 -0.13 0.60 1.01 0.40 -3.99 121.20 125.33 3hoy s ILE 1162Ca 0.03 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 3hoy s ILE 1162Cb -0.14 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 3hoy s ILE 1162CO 0.02 -0.23 0.24 0.00 0.00 0.00 0.00 174.94 174.97 3hoy n GLY 1164N 2.80 -1.01 0.00 0.00 0.00 -0.63 -4.12 105.19 102.23 3hoy n GLY 1164Ca -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3hoy n GLY 1164CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hoy n ILE 1165N -1.50 0.00 -3.03 -0.61 5.41 -1.26 -4.92 119.36 113.45 3hoy n ILE 1165Ca 0.04 0.42 -0.39 0.00 1.00 0.00 0.00 62.75 63.81 3hoy n ILE 1165Cb 0.18 -1.41 -0.06 0.00 -0.71 0.00 0.00 39.64 37.63 3hoy n ILE 1165CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hoy n GLY 1167N 1.93 2.19 3.96 0.00 0.00 -1.26 -4.00 105.19 108.00 3hoy n GLY 1167Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 3hoy n GLY 1167CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hoy s LEU 1168N 0.00 3.69 -0.72 0.99 1.43 -1.26 0.23 118.68 123.04 3hoy s LEU 1168Ca 0.00 0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.31 3hoy s LEU 1168Cb 0.00 -3.12 0.26 0.00 0.03 0.00 0.00 46.19 43.36 3hoy s LEU 1168CO 0.00 -0.66 2.27 0.23 0.23 0.00 0.00 176.35 178.42 3hoy n MET 1169N -2.02 2.63 -0.04 1.70 2.81 -1.26 -2.19 117.12 118.75 3hoy n MET 1169Ca 0.01 -3.13 -0.02 0.00 -1.81 0.00 0.00 57.70 52.75 3hoy n MET 1169Cb 0.58 -2.23 -0.14 0.00 -0.71 0.00 0.00 33.22 30.72 3hoy n MET 1169CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3hoy n THR 1170N -0.08 1.03 -1.13 2.03 -1.04 -1.26 -4.95 114.28 108.87 3hoy n THR 1170Ca 0.52 -0.73 -0.49 0.00 -2.04 0.00 0.00 64.05 61.32 3hoy n THR 1170Cb 0.34 -0.47 -0.09 0.00 -1.82 0.00 0.00 70.33 68.29 3hoy n THR 1170CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3hoy n VAL 1171N -2.69 0.00 -2.11 12.58 0.31 -1.26 -4.79 118.33 120.37 3hoy n VAL 1171Ca -0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.72 3hoy n VAL 1171Cb 0.93 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 3hoy n VAL 1171CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3hoy n ILE 1172N 4.13 3.96 -2.73 2.52 5.41 -1.08 -4.86 119.36 126.70 3hoy n ILE 1172Ca 0.34 -3.82 -0.42 0.00 1.00 0.00 0.00 62.75 59.85 3hoy n ILE 1172Cb -0.04 -2.47 -0.03 0.00 -0.71 0.00 0.00 39.64 36.40 3hoy n ILE 1172CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hoy s ALA 1173N 1.72 3.21 -0.61 -1.39 0.00 -1.23 -4.49 121.76 118.98 3hoy s ALA 1173Ca 0.43 0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.94 3hoy s ALA 1173Cb 0.11 -3.33 0.29 0.00 0.00 0.00 0.00 23.12 20.18 3hoy s ALA 1173CO -0.03 -0.29 0.83 1.63 0.00 0.00 0.00 175.76 177.89 3hoy n LYS 1174N 4.09 2.77 -1.51 0.00 5.02 -0.90 -5.03 118.16 122.60 3hoy n LYS 1174Ca 0.06 -4.71 -0.37 0.00 -2.02 0.00 0.00 58.31 51.27 3hoy n LYS 1174Cb 0.51 -2.23 -0.13 0.00 -0.02 0.00 0.00 35.03 33.16 3hoy n LYS 1174CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hoy n LEU 1175N 0.41 0.62 0.00 -0.35 4.77 -1.26 -2.40 117.00 118.79 3hoy n LEU 1175Ca 0.30 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3hoy n LEU 1175Cb 0.41 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 3hoy n LEU 1175CO 0.38 -1.06 0.00 -3.20 -1.33 0.00 0.00 177.39 172.17 3hoy n ASN 1176N 11.54 0.00 -0.70 -1.43 5.15 -1.26 -4.82 115.26 123.74 3hoy n ASN 1176Ca 0.59 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.58 3hoy n ASN 1176Cb 0.17 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.48 3hoy n ASN 1176CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3hoy n HIS 1177N 0.00 0.30 -0.41 1.20 8.25 -1.01 -4.82 115.22 118.73 3hoy n HIS 1177Ca 0.00 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3hoy n HIS 1177Cb 0.00 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 30.95 3hoy n HIS 1177CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3hoy n ASN 1178N 0.09 -1.59 -4.77 0.41 2.85 -1.23 -4.89 115.26 106.13 3hoy n ASN 1178Ca 0.04 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.12 3hoy n ASN 1178Cb 0.38 -1.74 -0.03 0.00 1.24 0.00 0.00 39.78 39.64 3hoy n ASN 1178CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 3hoy s GLN 1179N -0.81 4.27 0.07 1.20 -0.21 -1.26 -4.93 119.66 117.99 3hoy s GLN 1179Ca 0.00 1.87 0.00 0.00 0.02 0.00 0.00 55.36 57.25 3hoy s GLN 1179Cb 0.00 -2.87 0.00 0.00 1.00 0.00 0.00 33.01 31.14 3hoy s GLN 1179CO 0.00 -0.14 0.00 1.19 -2.12 0.00 0.00 175.29 174.22 3hoy n PHE 1180N 0.48 -0.04 -1.49 0.91 3.01 -1.26 -2.12 117.46 116.96 3hoy n PHE 1180Ca 0.02 0.01 0.18 0.00 1.01 0.00 0.00 57.45 58.67 3hoy n PHE 1180Cb 0.45 0.01 -0.10 0.00 -0.01 0.00 0.00 39.48 39.84 3hoy n PHE 1180CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3hoy n GLU 1181N -3.15 -3.45 -2.49 -1.08 -0.58 -1.26 -2.97 120.64 105.65 3hoy n GLU 1181Ca 0.00 2.82 -0.04 0.00 -0.42 0.00 0.00 57.16 59.52 3hoy n GLU 1181Cb 0.00 -4.03 0.04 0.00 -0.57 0.00 0.00 31.44 26.89 3hoy n GLU 1181CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hoy n LYS 1183N -0.60 0.16 0.00 0.00 -0.00 -1.26 -0.84 118.16 115.61 3hoy n LYS 1183Ca -0.15 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 3hoy n LYS 1183Cb 0.71 -1.10 0.00 0.00 -0.00 0.00 0.00 35.03 34.64 3hoy n LYS 1183CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hoy n GLY 1184N 1.94 2.07 0.00 2.58 0.00 -1.26 -4.39 105.19 106.13 3hoy n GLY 1184Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3hoy n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hoy n ASP 1186N -0.55 -6.04 0.00 0.00 -0.08 -0.39 -5.02 116.55 104.48 3hoy n ASP 1186Ca 0.00 0.94 0.00 0.00 -1.51 0.00 0.00 54.79 54.22 3hoy n ASP 1186Cb 0.00 -2.83 0.00 0.00 2.34 0.00 0.00 41.12 40.63 3hoy n ASP 1186CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3hoy n ASN 1187N 1.72 0.00 0.00 1.67 2.85 -1.26 -4.92 115.26 115.33 3hoy n ASN 1187Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 3hoy n ASN 1187Cb 0.28 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.30 3hoy n ASN 1187CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3hoy n LYS 1188N 0.00 0.00 0.00 1.20 5.02 -1.26 -4.73 118.16 118.39 3hoy n LYS 1188Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hoy n LYS 1188Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3hoy n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3hoy n ILE 1189N -1.91 0.00 -1.74 -0.18 5.41 -1.26 -4.60 119.36 115.07 3hoy n ILE 1189Ca 0.00 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.42 3hoy n ILE 1189Cb 0.00 -0.38 -0.04 0.00 -0.71 0.00 0.00 39.64 38.51 3hoy n ILE 1189CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hoy s ASP 1190N 1.00 4.67 -0.09 4.38 2.15 -1.26 -4.88 116.67 122.64 3hoy s ASP 1190Ca 0.00 0.60 -0.13 0.00 0.43 0.00 0.00 52.55 53.45 3hoy s ASP 1190Cb 0.00 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 40.13 3hoy s ASP 1190CO 0.00 -2.85 0.33 -0.63 -0.17 0.00 0.00 175.17 171.85 3hoy s ILE 1191N 11.43 0.02 0.22 4.11 1.01 -1.26 -1.60 121.20 135.13 3hoy s ILE 1191Ca 0.86 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 61.38 3hoy s ILE 1191Cb -0.14 -0.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.76 3hoy s ILE 1191CO 0.20 -0.08 0.05 -0.31 0.00 0.00 0.00 174.94 174.80 3hoy s TYR 1192N -0.28 1.41 0.14 3.97 1.51 -0.98 -4.93 117.35 118.19 3hoy s TYR 1192Ca -0.04 -1.10 0.11 0.00 -1.01 0.00 0.00 57.07 55.03 3hoy s TYR 1192Cb -0.03 -0.82 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 3hoy s TYR 1192CO 0.02 -0.26 -0.25 1.14 -1.11 0.00 0.00 175.55 175.08 3hoy s GLN 1193N -3.97 1.49 0.11 -0.62 -2.07 -1.26 -0.45 119.66 112.89 3hoy s GLN 1193Ca 0.32 -1.35 -0.03 0.00 -1.82 0.00 0.00 55.36 52.48 3hoy s GLN 1193Cb 0.07 -1.93 -0.03 0.00 -1.09 0.00 0.00 33.01 30.03 3hoy s GLN 1193CO 0.09 0.45 0.08 0.96 -1.32 0.00 0.00 175.29 175.55 3hoy s ILE 1194N -1.18 0.13 -0.39 3.63 -4.36 0.00 -4.92 121.20 114.12 3hoy s ILE 1194Ca 0.16 -1.76 0.02 0.00 -0.26 0.00 0.00 60.65 58.80 3hoy s ILE 1194Cb -0.10 -1.84 0.11 0.00 1.25 0.00 0.00 42.46 41.88 3hoy s ILE 1194CO 0.07 -0.58 0.13 -1.00 0.24 0.00 0.00 174.94 173.80 3hoy s HIS 1195N -3.99 3.66 0.19 1.37 3.76 -1.26 -2.67 115.29 116.35 3hoy s HIS 1195Ca 0.18 -2.83 0.08 0.00 -0.15 0.00 0.00 55.06 52.34 3hoy s HIS 1195Cb 0.07 -3.03 -0.04 0.00 1.11 0.00 0.00 32.58 30.69 3hoy s HIS 1195CO -0.02 -0.94 -0.17 0.96 -0.85 0.00 0.00 174.74 173.73 3hoy s ILE 1196N 0.85 1.83 -0.02 0.60 -4.36 -1.00 -4.91 121.20 114.19 3hoy s ILE 1196Ca 0.11 -2.09 -0.30 0.00 -0.26 0.00 0.00 60.65 58.11 3hoy s ILE 1196Cb -0.21 -1.97 -0.07 0.00 1.25 0.00 0.00 42.46 41.47 3hoy s ILE 1196CO -0.06 -0.45 1.70 -2.16 0.24 0.00 0.00 174.94 174.21 3hoy s PRO 1197N -3.24 4.18 0.45 0.37 0.04 -1.26 -0.86 135.00 134.68 3hoy s PRO 1197Ca 0.20 2.28 0.33 0.00 0.04 0.00 0.00 61.00 63.85 3hoy s PRO 1197Cb -0.03 -3.95 1.49 0.00 0.04 0.00 0.00 34.50 32.05 3hoy s PRO 1197CO 0.07 -0.84 1.61 -0.92 0.04 0.00 0.00 177.00 176.96 3hoy h TYR 1198N 9.49 0.45 -0.32 0.56 3.20 -1.84 1.83 116.97 130.33 3hoy h TYR 1198Ca -0.42 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.52 3hoy h TYR 1198Cb 1.19 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 3hoy h TYR 1198CO 0.88 -0.21 0.22 0.00 -1.64 0.00 0.00 178.16 177.41 3hoy h ALA 1199N 1.53 1.98 0.12 1.82 0.00 -1.90 -0.23 119.26 122.59 3hoy h ALA 1199Ca 0.85 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 55.46 3hoy h ALA 1199Cb 2.79 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 20.53 3hoy h ALA 1199CO -0.38 -0.03 -1.22 0.00 0.00 0.00 0.00 179.25 177.61 3hoy h ALA 1200N 1.82 0.06 -0.90 0.00 0.00 0.25 -1.48 119.26 119.01 3hoy h ALA 1200Ca 0.14 -0.79 0.12 0.00 0.00 0.00 0.00 54.91 54.38 3hoy h ALA 1200Cb 0.23 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 3hoy h ALA 1200CO -0.03 0.76 0.58 -0.22 0.00 0.00 0.00 179.25 180.35 3hoy h LYS 1201N 0.22 0.79 0.62 0.00 3.11 -0.86 0.21 116.57 120.66 3hoy h LYS 1201Ca -0.17 -0.05 -0.03 0.00 -2.81 0.00 0.00 60.65 57.59 3hoy h LYS 1201Cb 1.90 -0.18 0.01 0.00 -1.00 0.00 0.00 32.23 32.96 3hoy h LYS 1201CO 0.22 0.52 -0.30 1.25 -2.81 0.00 0.00 179.45 178.34 3hoy h LEU 1202N 0.81 -0.70 -0.99 5.20 6.46 -0.97 -1.61 115.31 123.51 3hoy h LEU 1202Ca 0.44 -0.02 0.35 0.00 -0.12 0.00 0.00 57.88 58.53 3hoy h LEU 1202Cb 0.56 0.18 -0.16 0.00 -0.73 0.00 0.00 40.66 40.50 3hoy h LEU 1202CO -0.20 -0.33 0.46 0.25 -0.62 0.00 0.00 178.44 178.00 3hoy h LEU 1203N -1.13 0.27 0.23 2.25 5.85 -0.02 0.18 115.31 122.94 3hoy h LEU 1203Ca -0.08 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3hoy h LEU 1203Cb 0.68 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3hoy h LEU 1203CO 0.14 -0.29 -0.11 -0.26 -0.34 0.00 0.00 178.44 177.58 3hoy h PHE 1204N 0.14 -0.28 -0.27 1.25 0.05 -0.54 -1.21 116.94 116.07 3hoy h PHE 1204Ca 0.75 -0.01 0.08 0.00 3.82 0.00 0.00 57.97 62.61 3hoy h PHE 1204Cb 1.79 0.09 -0.01 0.00 2.00 0.00 0.00 35.95 39.83 3hoy h PHE 1204CO -0.09 0.10 0.33 1.96 -0.18 0.00 0.00 178.31 180.43 3hoy h GLN 1205N -0.87 0.00 0.15 1.51 4.20 -0.05 0.25 115.11 120.30 3hoy h GLN 1205Ca -0.03 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.39 3hoy h GLN 1205Cb 0.51 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.30 3hoy h GLN 1205CO 0.05 0.00 -1.28 0.93 -0.67 0.00 0.00 178.83 177.86 3hoy h GLU 1206N 0.00 0.34 0.00 1.46 5.08 -0.54 -1.80 114.58 119.12 3hoy h GLU 1206Ca 0.13 -0.57 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 3hoy h GLU 1206Cb 0.79 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 3hoy h GLU 1206CO -0.00 1.27 -0.04 -0.07 -1.00 0.00 0.00 179.01 179.17 3hoy h LEU 1207N 0.10 0.00 0.06 1.33 3.38 0.27 -2.62 115.31 117.83 3hoy h LEU 1207Ca -0.16 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 3hoy h LEU 1207Cb 2.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.76 3hoy h LEU 1207CO 0.22 0.04 -0.45 0.24 0.09 0.00 0.00 178.44 178.58 3hoy h MET 1208N 0.00 0.20 -0.30 1.13 2.86 -1.11 0.49 114.93 118.20 3hoy h MET 1208Ca -0.00 -0.30 0.09 0.00 -2.06 0.00 0.00 59.70 57.43 3hoy h MET 1208Cb 0.50 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 3hoy h MET 1208CO 0.01 1.10 0.37 0.00 1.06 0.00 0.00 176.91 179.44 3hoy h ALA 1209N 0.11 1.93 -0.53 6.32 0.00 -0.97 1.31 119.26 127.44 3hoy h ALA 1209Ca -0.07 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3hoy h ALA 1209Cb 1.31 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 3hoy h ALA 1209CO 0.09 -0.52 0.11 -1.33 0.00 0.00 0.00 179.25 177.59 3hoy n MET 1210N -3.62 3.71 -1.46 0.00 2.00 -1.05 -4.91 117.12 111.78 3hoy n MET 1210Ca 0.05 -2.51 -0.16 0.00 0.00 0.00 0.00 57.70 55.08 3hoy n MET 1210Cb 0.52 -2.09 -0.07 0.00 0.00 0.00 0.00 33.22 31.58 3hoy n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3hoy n ASN 1211N 0.23 -5.14 -4.67 7.83 4.05 0.45 -5.00 115.26 113.01 3hoy n ASN 1211Ca 0.28 0.39 -0.34 0.00 0.45 0.00 0.00 54.58 55.36 3hoy n ASN 1211Cb 1.11 -4.04 -0.09 0.00 1.23 0.00 0.00 39.78 37.98 3hoy n ASN 1211CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3hoy s ILE 1212N -2.52 4.21 -0.36 -1.44 1.01 0.17 -4.98 121.20 117.30 3hoy s ILE 1212Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 3hoy s ILE 1212Cb 0.00 -2.79 0.04 0.00 0.01 0.00 0.00 42.46 39.72 3hoy s ILE 1212CO 0.00 0.55 0.16 0.42 0.00 0.00 0.00 174.94 176.07 3hoy s THR 1213N -0.93 4.10 -1.15 2.92 -4.23 -1.26 -2.91 115.64 112.18 3hoy s THR 1213Ca 0.15 -1.10 -0.10 0.00 -1.18 0.00 0.00 61.69 59.46 3hoy s THR 1213Cb -0.11 -3.34 0.25 0.00 1.34 0.00 0.00 72.50 70.63 3hoy s THR 1213CO 0.04 -0.25 1.22 -0.81 -0.54 0.00 0.00 174.62 174.28 3hoy n PRO 1214N 4.88 3.52 -2.21 3.99 -0.04 -1.26 -5.01 135.00 138.86 3hoy n PRO 1214Ca -0.12 -4.28 -0.42 0.00 -0.04 0.00 0.00 63.50 58.65 3hoy n PRO 1214Cb 0.45 -2.69 -0.03 0.00 -0.04 0.00 0.00 33.50 31.18 3hoy n PRO 1214CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hoy s ARG 1215N -0.49 4.35 -0.20 0.54 0.52 -1.26 -4.77 118.95 117.64 3hoy s ARG 1215Ca 0.34 2.04 -0.04 0.00 -0.52 0.00 0.00 55.73 57.55 3hoy s ARG 1215Cb -0.07 -3.24 -0.02 0.00 0.52 0.00 0.00 34.95 32.13 3hoy s ARG 1215CO -0.05 -0.36 -0.02 -0.51 0.02 0.00 0.00 175.30 174.38 3hoy s LEU 1216N 0.70 3.14 -0.09 2.53 1.43 0.14 -4.83 118.68 121.69 3hoy s LEU 1216Ca 0.61 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.50 3hoy s LEU 1216Cb -0.36 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 3hoy s LEU 1216CO 0.33 0.05 -0.22 -0.31 0.23 0.00 0.00 176.35 176.43 3hoy s TYR 1217N 1.06 2.58 -0.00 0.29 2.02 -1.26 -4.46 117.35 117.57 3hoy s TYR 1217Ca 0.02 -0.89 0.32 0.00 -0.37 0.00 0.00 57.07 56.14 3hoy s TYR 1217Cb -0.14 -1.71 1.39 0.00 -0.40 0.00 0.00 41.96 41.10 3hoy s TYR 1217CO 0.01 -0.33 1.94 1.79 -1.57 0.00 0.00 175.55 177.39 3hoy h THR 1218N 5.49 0.00 -3.59 -0.71 1.35 -1.95 -3.45 112.91 110.06 3hoy h THR 1218Ca -0.23 -0.34 -0.32 0.00 -0.55 0.00 0.00 66.41 64.96 3hoy h THR 1218Cb 1.22 1.24 -0.15 0.00 -1.73 0.00 0.00 68.15 68.74 3hoy h THR 1218CO 0.48 0.00 -0.67 1.51 -0.25 0.00 0.00 175.52 176.60 3hoy s ASP 1219N -5.14 1.47 0.34 5.36 1.47 -1.26 -5.16 116.67 113.74 3hoy s ASP 1219Ca 0.01 -1.16 0.07 0.00 1.18 0.00 0.00 52.55 52.65 3hoy s ASP 1219Cb 0.09 0.07 -0.02 0.00 -0.34 0.00 0.00 42.92 42.73 3hoy s ASP 1219CO 0.47 -0.52 0.39 0.00 0.68 0.00 0.00 175.17 176.19 3hoy s ARG 1220N -3.88 2.94 0.12 2.11 1.70 -1.26 -5.04 118.95 115.64 3hoy s ARG 1220Ca 0.24 -1.15 0.00 0.00 -0.47 0.00 0.00 55.73 54.36 3hoy s ARG 1220Cb 0.05 -2.67 0.00 0.00 -0.57 0.00 0.00 34.95 31.77 3hoy s ARG 1220CO 0.05 0.07 0.00 -1.13 -1.08 0.00 0.00 175.30 173.20 3hoy n SER 1221N -1.53 0.31 0.19 -2.89 3.41 -1.26 -4.81 113.62 107.04 3hoy n SER 1221Ca -0.01 0.19 0.05 0.00 -0.26 0.00 0.00 58.87 58.84 3hoy n SER 1221Cb 0.59 0.01 0.07 0.00 -0.26 0.00 0.00 64.21 64.63 3hoy n SER 1221CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3hoy n ARG 1222N -3.11 0.02 -0.04 4.33 0.63 -1.26 -4.86 116.66 112.37 3hoy n ARG 1222Ca 0.00 0.84 0.01 0.00 -0.92 0.00 0.00 57.85 57.77 3hoy n ARG 1222Cb 0.00 -2.22 -0.00 0.00 0.45 0.00 0.00 32.46 30.69 3hoy n ARG 1222CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3hoy n ASP 1223N -2.38 -5.42 0.00 6.15 -0.08 -1.26 -5.37 116.55 108.18 3hoy n ASP 1223Ca 0.04 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 3hoy n ASP 1223Cb 0.96 -0.12 0.00 0.00 2.34 0.00 0.00 41.12 44.30 3hoy n ASP 1223CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65