#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q5y s GLN 51 N 0.00 2.84 0.00 -2.82 2.00 -1.26 0.61 119.66 121.03 1q5y s GLN 51 Ca 0.00 -0.70 0.00 0.00 -2.00 0.00 0.00 55.36 52.66 1q5y s GLN 51 Cb 0.00 -2.56 0.00 0.00 0.80 0.00 0.00 33.01 31.25 1q5y s GLN 51 CO 0.00 -0.42 0.00 0.41 -0.50 0.00 0.00 175.29 174.78 1q5y n GLY 52 N -2.14 -0.52 3.55 2.59 0.00 -0.11 -0.09 105.19 108.47 1q5y n GLY 52 Ca 0.04 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 1q5y n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q5y s PHE 53 N -3.02 2.35 0.12 1.61 0.08 -0.26 -1.17 117.98 117.69 1q5y s PHE 53 Ca 0.00 -0.65 -0.16 0.00 0.12 0.00 0.00 56.93 56.24 1q5y s PHE 53 Cb 0.00 -1.51 0.03 0.00 -0.57 0.00 0.00 43.02 40.98 1q5y s PHE 53 CO 0.00 0.42 0.39 0.00 -0.10 0.00 0.00 175.22 175.94 1q5y s ALA 54 N -2.78 -0.91 -0.20 5.36 0.00 -0.19 -0.28 121.76 122.76 1q5y s ALA 54 Ca 0.34 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1q5y s ALA 54 Cb 0.07 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.89 1q5y s ALA 54 CO 0.16 -0.63 -0.17 0.08 0.00 0.00 0.00 175.76 175.20 1q5y s VAL 55 N -3.78 2.01 -0.17 0.00 1.01 -0.20 -0.83 120.40 118.44 1q5y s VAL 55 Ca 0.03 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 1q5y s VAL 55 Cb 0.02 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1q5y s VAL 55 CO -0.12 0.39 -0.09 -0.22 0.00 0.00 0.00 175.10 175.05 1q5y s LEU 56 N 1.28 2.79 0.12 3.92 2.96 -0.12 -0.98 118.68 128.64 1q5y s LEU 56 Ca 0.02 -0.36 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 1q5y s LEU 56 Cb -0.15 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1q5y s LEU 56 CO -0.11 0.08 -0.15 -0.94 -1.32 0.00 0.00 176.35 173.92 1q5y s SER 57 N 0.84 2.06 0.01 3.68 1.04 -0.13 0.05 113.70 121.25 1q5y s SER 57 Ca -0.03 -0.79 -0.29 0.00 0.48 0.00 0.00 55.95 55.32 1q5y s SER 57 Cb -0.15 -0.08 0.10 0.00 0.10 0.00 0.00 66.02 65.99 1q5y s SER 57 CO 0.01 -0.12 0.95 -0.72 0.98 0.00 0.00 173.24 174.34 1q5y s TYR 58 N -2.01 -0.27 -0.02 5.02 -0.85 -0.58 -0.63 117.35 118.01 1q5y s TYR 58 Ca 0.08 0.11 0.07 0.00 -0.52 0.00 0.00 57.07 56.81 1q5y s TYR 58 Cb -0.06 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 42.82 1q5y s TYR 58 CO 0.03 -0.56 -0.22 0.08 -1.52 0.00 0.00 175.55 173.36 1q5y s VAL 59 N -3.06 1.75 0.15 -3.49 1.01 0.04 -1.05 120.40 115.75 1q5y s VAL 59 Ca 0.07 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 1q5y s VAL 59 Cb -0.01 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.92 1q5y s VAL 59 CO -0.06 0.50 0.34 -0.72 0.00 0.00 0.00 175.10 175.16 1q5y s TYR 60 N -0.46 0.09 -0.17 5.22 1.13 -0.51 -0.62 117.35 122.03 1q5y s TYR 60 Ca 0.07 -0.45 -0.22 0.00 -1.41 0.00 0.00 57.07 55.06 1q5y s TYR 60 Cb -0.09 0.11 -0.03 0.00 -1.10 0.00 0.00 41.96 40.86 1q5y s TYR 60 CO -0.00 -0.72 0.67 -1.21 -2.51 0.00 0.00 175.55 171.77 1q5y s GLU 61 N -3.89 4.26 0.56 -3.49 2.02 -1.26 -0.28 118.70 116.62 1q5y s GLU 61 Ca 0.09 0.71 0.34 0.00 0.02 0.00 0.00 54.97 56.13 1q5y s GLU 61 Cb 0.02 -3.56 1.58 0.00 0.10 0.00 0.00 34.13 32.28 1q5y s GLU 61 CO -0.06 -0.20 2.07 1.12 0.02 0.00 0.00 175.26 178.21 1q5y h HIS 62 N 7.33 0.00 0.00 1.61 2.07 -1.86 -2.43 115.15 121.87 1q5y h HIS 62 Ca -0.33 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.19 1q5y h HIS 62 Cb 1.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.13 1q5y h HIS 62 CO 0.70 0.05 0.00 0.93 -3.07 0.00 0.00 177.93 176.54 1q5y h GLU 63 N 0.00 0.00 -5.59 5.12 3.07 -1.93 -3.32 114.58 111.93 1q5y h GLU 63 Ca -0.00 0.00 -0.42 0.00 -0.50 0.00 0.00 59.36 58.44 1q5y h GLU 63 Cb 0.39 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.25 1q5y h GLU 63 CO 0.01 0.00 1.33 0.15 -1.40 0.00 0.00 179.01 179.10 1q5y s LYS 64 N -3.33 2.87 0.35 2.33 1.02 -0.92 -4.77 119.74 117.30 1q5y s LYS 64 Ca 0.06 -1.32 0.04 0.00 0.02 0.00 0.00 55.97 54.77 1q5y s LYS 64 Cb 0.09 -5.31 0.64 0.00 -0.52 0.00 0.00 37.83 32.73 1q5y s LYS 64 CO 0.55 -3.51 1.92 0.00 -0.92 0.00 0.00 175.35 173.39 1q5y h ARG 65 N 9.29 0.58 -0.20 1.68 2.47 -1.85 -1.97 114.38 124.38 1q5y h ARG 65 Ca 0.27 -0.09 -0.20 0.00 -1.26 0.00 0.00 59.98 58.69 1q5y h ARG 65 Cb 0.93 -0.10 0.01 0.00 -1.65 0.00 0.00 29.97 29.15 1q5y h ARG 65 CO 1.28 0.53 -0.66 -0.44 0.56 0.00 0.00 179.97 181.25 1q5y h ASP 66 N 0.57 0.92 -0.19 7.04 3.32 -1.92 -2.08 116.42 124.09 1q5y h ASP 66 Ca 0.13 -0.59 0.04 0.00 0.02 0.00 0.00 57.03 56.63 1q5y h ASP 66 Cb 0.21 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1q5y h ASP 66 CO -0.00 1.36 -0.08 0.25 -1.72 0.00 0.00 179.24 179.04 1q5y h LEU 67 N 0.54 -0.28 -1.04 1.55 5.85 -1.90 -1.85 115.31 118.18 1q5y h LEU 67 Ca -0.03 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1q5y h LEU 67 Cb 1.28 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.42 1q5y h LEU 67 CO 0.14 -0.11 0.65 0.00 -0.34 0.00 0.00 178.44 178.78 1q5y h ALA 68 N 1.11 1.30 -0.45 1.25 0.00 -1.24 -0.75 119.26 120.49 1q5y h ALA 68 Ca 0.10 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1q5y h ALA 68 Cb 0.21 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1q5y h ALA 68 CO -0.22 0.65 -0.08 0.77 0.00 0.00 0.00 179.25 180.37 1q5y h SER 69 N 1.33 0.78 -0.25 0.00 0.02 -1.13 -2.14 113.55 112.15 1q5y h SER 69 Ca 0.36 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1q5y h SER 69 Cb -0.15 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.15 1q5y h SER 69 CO -0.08 0.89 0.06 0.03 -1.14 0.00 0.00 176.83 176.59 1q5y h ARG 70 N 0.73 0.15 -0.27 3.45 3.08 -0.47 0.26 114.38 121.31 1q5y h ARG 70 Ca 0.13 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1q5y h ARG 70 Cb 0.55 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1q5y h ARG 70 CO 0.03 0.10 0.13 0.82 -1.07 0.00 0.00 179.97 179.99 1q5y h ILE 71 N 0.16 1.14 -0.37 2.04 2.04 -0.77 0.09 117.51 121.84 1q5y h ILE 71 Ca 0.11 -0.41 -0.16 0.00 1.00 0.00 0.00 64.86 65.41 1q5y h ILE 71 Cb 0.11 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1q5y h ILE 71 CO -0.14 0.15 -0.39 1.62 0.00 0.00 0.00 178.15 179.38 1q5y h VAL 72 N 0.31 1.27 -0.55 1.67 3.04 -1.30 -2.83 116.25 117.86 1q5y h VAL 72 Ca 0.09 -1.56 -0.09 0.00 -1.01 0.00 0.00 66.70 64.13 1q5y h VAL 72 Cb 0.11 1.42 -0.02 0.00 -2.01 0.00 0.00 31.29 30.79 1q5y h VAL 72 CO -0.01 0.52 -0.02 0.28 -1.01 0.00 0.00 177.57 177.33 1q5y h SER 73 N 0.73 0.95 -0.84 3.17 0.02 -0.77 -0.67 113.55 116.14 1q5y h SER 73 Ca 0.06 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1q5y h SER 73 Cb 0.99 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.23 1q5y h SER 73 CO 0.10 1.01 0.51 0.71 -1.14 0.00 0.00 176.83 178.02 1q5y h THR 74 N 0.89 1.23 -0.30 -2.27 1.35 -0.95 0.14 112.91 112.99 1q5y h THR 74 Ca 0.16 -0.51 -0.10 0.00 -0.55 0.00 0.00 66.41 65.41 1q5y h THR 74 Cb 0.55 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.00 1q5y h THR 74 CO 0.03 0.24 -0.22 1.56 -0.25 0.00 0.00 175.52 176.88 1q5y h GLN 75 N 1.16 0.57 -0.08 4.72 4.20 -1.00 -1.22 115.11 123.46 1q5y h GLN 75 Ca 0.30 -0.21 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 1q5y h GLN 75 Cb -0.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1q5y h GLN 75 CO -0.06 0.76 -0.60 0.45 -0.67 0.00 0.00 178.83 178.71 1q5y h HIS 76 N 0.51 0.34 -0.72 2.96 3.86 -0.27 0.11 115.15 121.93 1q5y h HIS 76 Ca 0.08 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 1q5y h HIS 76 Cb 0.66 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.04 1q5y h HIS 76 CO 0.03 0.79 0.19 0.45 0.86 0.00 0.00 177.93 180.25 1q5y h HIS 77 N 0.20 1.19 -1.14 2.45 3.86 -0.34 -2.33 115.15 119.04 1q5y h HIS 77 Ca -0.00 -0.13 -0.67 0.00 -1.16 0.00 0.00 60.37 58.40 1q5y h HIS 77 Cb 1.10 -0.34 -0.31 0.00 1.06 0.00 0.00 27.41 28.92 1q5y h HIS 77 CO 0.02 0.96 0.63 0.72 0.86 0.00 0.00 177.93 181.12 1q5y n HIS 78 N -4.25 3.14 0.28 2.45 8.25 -0.50 -4.73 115.22 119.86 1q5y n HIS 78 Ca 0.05 -2.82 0.15 0.00 -0.26 0.00 0.00 57.72 54.85 1q5y n HIS 78 Cb 0.25 -1.22 0.81 0.00 1.12 0.00 0.00 29.99 30.94 1q5y n HIS 78 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1q5y h HIS 79 N 2.20 0.00 -0.47 4.41 -0.00 -0.20 0.83 115.15 121.92 1q5y h HIS 79 Ca 0.56 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.97 1q5y h HIS 79 Cb 0.79 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.18 1q5y h HIS 79 CO 1.30 0.08 0.31 0.38 -0.00 0.00 0.00 177.93 180.00 1q5y h ASP 80 N 0.00 0.40 1.15 3.10 2.03 -1.85 -1.50 116.42 119.75 1q5y h ASP 80 Ca -0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1q5y h ASP 80 Cb 0.31 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1q5y h ASP 80 CO 0.01 0.27 -0.42 -0.07 -1.03 0.00 0.00 179.24 178.00 1q5y h LEU 81 N 0.46 0.00 -9.20 0.15 3.38 -1.02 -3.45 115.31 105.63 1q5y h LEU 81 Ca 0.19 -0.12 -0.60 0.00 0.09 0.00 0.00 57.88 57.44 1q5y h LEU 81 Cb 0.19 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.82 1q5y h LEU 81 CO -0.05 0.06 -0.42 -0.55 0.09 0.00 0.00 178.44 177.57 1q5y s SER 82 N -4.56 6.25 -0.14 -0.43 0.15 -0.57 -0.82 113.70 113.59 1q5y s SER 82 Ca 0.07 0.29 -0.10 0.00 0.70 0.00 0.00 55.95 56.91 1q5y s SER 82 Cb 0.12 -2.13 -0.05 0.00 -1.71 0.00 0.00 66.02 62.25 1q5y s SER 82 CO 0.68 0.09 -0.09 0.58 1.20 0.00 0.00 173.24 175.71 1q5y h VAL 83 N 4.84 0.14 -2.38 4.45 2.07 -1.19 -3.48 116.25 120.72 1q5y h VAL 83 Ca -0.39 -1.17 0.10 0.00 0.82 0.00 0.00 66.70 66.06 1q5y h VAL 83 Cb 1.16 0.33 -0.14 0.00 -1.52 0.00 0.00 31.29 31.12 1q5y h VAL 83 CO 0.72 0.05 0.46 0.00 0.02 0.00 0.00 177.57 178.81 1q5y s ALA 84 N -2.65 -1.77 -0.04 1.67 0.00 -1.23 -5.03 121.76 112.71 1q5y s ALA 84 Ca -0.14 0.83 0.03 0.00 0.00 0.00 0.00 51.96 52.67 1q5y s ALA 84 Cb 0.02 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.65 1q5y s ALA 84 CO 0.24 -0.75 -0.12 0.99 0.00 0.00 0.00 175.76 176.12 1q5y s THR 85 N -3.22 1.02 -0.18 0.00 2.01 -1.26 -1.28 115.64 112.73 1q5y s THR 85 Ca 0.05 -0.48 -0.12 0.00 0.31 0.00 0.00 61.69 61.46 1q5y s THR 85 Cb -0.01 -0.91 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 1q5y s THR 85 CO -0.08 0.31 0.20 -0.22 -0.69 0.00 0.00 174.62 174.15 1q5y s LEU 86 N 0.26 4.23 -0.06 4.42 2.96 0.45 -4.94 118.68 125.99 1q5y s LEU 86 Ca -0.06 0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 1q5y s LEU 86 Cb -0.11 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.37 1q5y s LEU 86 CO 0.01 0.16 -0.18 -2.28 -1.32 0.00 0.00 176.35 172.74 1q5y s HIS 87 N 0.33 1.93 -0.15 5.38 5.65 -1.26 -0.59 115.29 126.58 1q5y s HIS 87 Ca 0.12 -0.67 0.01 0.00 0.25 0.00 0.00 55.06 54.78 1q5y s HIS 87 Cb -0.12 -1.31 0.02 0.00 -1.18 0.00 0.00 32.58 29.98 1q5y s HIS 87 CO 0.01 -0.27 -0.18 0.08 -0.65 0.00 0.00 174.74 173.73 1q5y s VAL 88 N 0.27 1.85 -1.08 0.89 1.01 0.54 -4.99 120.40 118.89 1q5y s VAL 88 Ca -0.11 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 1q5y s VAL 88 Cb -0.15 -1.68 0.06 0.00 0.00 0.00 0.00 36.38 34.61 1q5y s VAL 88 CO 0.04 0.51 1.50 -1.00 0.00 0.00 0.00 175.10 176.15 1q5y s HIS 89 N 1.20 2.64 0.18 5.22 3.76 -1.26 -0.95 115.29 126.07 1q5y s HIS 89 Ca 0.01 -1.07 0.19 0.00 -0.15 0.00 0.00 55.06 54.04 1q5y s HIS 89 Cb -0.14 -4.68 0.72 0.00 1.11 0.00 0.00 32.58 29.59 1q5y s HIS 89 CO -0.09 -1.88 1.75 -0.84 -0.85 0.00 0.00 174.74 172.84 1q5y h ILE 90 N 6.43 0.85 -2.65 0.60 3.07 -1.75 -3.47 117.51 120.60 1q5y h ILE 90 Ca 0.26 -1.45 -0.04 0.00 1.55 0.00 0.00 64.86 65.17 1q5y h ILE 90 Cb 0.98 1.89 -0.00 0.00 -0.27 0.00 0.00 36.82 39.42 1q5y h ILE 90 CO 1.42 0.35 0.11 -0.46 -1.05 0.00 0.00 178.15 178.51 1q5y n ASN 91 N -3.54 -1.18 -0.01 2.16 0.23 -1.20 -5.00 115.26 106.73 1q5y n ASN 91 Ca -0.00 -1.91 0.07 0.00 -0.53 0.00 0.00 54.58 52.20 1q5y n ASN 91 Cb 0.49 1.99 0.46 0.00 -2.08 0.00 0.00 39.78 40.64 1q5y n ASN 91 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 1q5y h HIS 92 N 1.55 0.46 0.00 -2.53 3.86 -2.03 -3.29 115.15 113.16 1q5y h HIS 92 Ca -0.18 0.01 -0.37 0.00 -1.16 0.00 0.00 60.37 58.67 1q5y h HIS 92 Cb 0.68 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.93 1q5y h HIS 92 CO 0.00 0.27 -2.38 -0.25 0.86 0.00 0.00 177.93 176.42 1q5y n ASP 93 N -4.48 0.95 -4.62 2.45 8.00 -1.26 -4.94 116.55 112.65 1q5y n ASP 93 Ca 0.05 -0.03 -0.32 0.00 0.71 0.00 0.00 54.79 55.20 1q5y n ASP 93 Cb 0.17 0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 41.46 1q5y n ASP 93 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1q5y s ASP 94 N -6.01 4.75 -0.06 -2.24 1.01 -1.24 -2.58 116.67 110.30 1q5y s ASP 94 Ca -0.21 -0.16 0.05 0.00 0.71 0.00 0.00 52.55 52.94 1q5y s ASP 94 Cb 0.07 -1.11 -0.02 0.00 1.01 0.00 0.00 42.92 42.87 1q5y s ASP 94 CO 0.73 0.25 -0.20 0.00 0.21 0.00 0.00 175.17 176.17 1q5y s LEU 96 N -0.33 3.37 -0.01 0.00 2.96 -0.13 -1.42 118.68 123.12 1q5y s LEU 96 Ca 0.02 -0.18 0.07 0.00 -0.22 0.00 0.00 54.13 53.82 1q5y s LEU 96 Cb -0.13 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 1q5y s LEU 96 CO 0.02 0.04 -0.22 -1.61 -1.32 0.00 0.00 176.35 173.26 1q5y s GLU 97 N 1.15 1.76 -0.20 1.98 2.02 -0.21 -0.34 118.70 124.86 1q5y s GLU 97 Ca 0.03 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.21 1q5y s GLU 97 Cb -0.14 -1.73 0.05 0.00 0.10 0.00 0.00 34.13 32.41 1q5y s GLU 97 CO 0.02 0.47 -0.08 0.42 0.02 0.00 0.00 175.26 176.11 1q5y s ILE 98 N -0.56 1.52 -0.22 -1.63 1.01 0.24 -1.52 121.20 120.05 1q5y s ILE 98 Ca 0.09 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 1q5y s ILE 98 Cb -0.09 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1q5y s ILE 98 CO -0.00 0.09 0.10 0.00 0.00 0.00 0.00 174.94 175.13 1q5y s ALA 99 N 1.44 3.44 -0.19 9.38 0.00 0.11 -0.41 121.76 135.52 1q5y s ALA 99 Ca -0.02 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 1q5y s ALA 99 Cb -0.17 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 1q5y s ALA 99 CO -0.08 -0.10 0.56 0.08 0.00 0.00 0.00 175.76 176.22 1q5y s VAL 100 N 0.89 5.08 0.15 0.00 1.01 -0.41 -0.94 120.40 126.19 1q5y s VAL 100 Ca 0.05 1.04 0.08 0.00 0.00 0.00 0.00 61.98 63.15 1q5y s VAL 100 Cb -0.13 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1q5y s VAL 100 CO 0.03 0.17 -0.07 -0.76 0.00 0.00 0.00 175.10 174.47 1q5y s LEU 101 N 1.62 3.08 -0.07 3.92 1.43 -0.01 -0.71 118.68 127.94 1q5y s LEU 101 Ca 0.26 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1q5y s LEU 101 Cb -0.16 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.31 1q5y s LEU 101 CO 0.10 0.12 0.17 -0.75 0.23 0.00 0.00 176.35 176.22 1q5y s LYS 102 N -2.66 0.13 0.00 1.70 2.20 0.00 -1.02 119.74 120.09 1q5y s LYS 102 Ca 0.24 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 1q5y s LYS 102 Cb -0.10 -0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.11 1q5y s LYS 102 CO 0.16 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.42 1q5y n GLY 103 N 3.97 -0.30 3.72 5.54 0.00 -0.32 -4.31 105.19 113.50 1q5y n GLY 103 Ca -0.24 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 1q5y n GLY 103 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q5y n ASP 104 N 0.89 3.74 0.26 1.61 -0.08 -1.26 -0.94 116.55 120.76 1q5y n ASP 104 Ca 0.00 1.10 0.10 0.00 -1.51 0.00 0.00 54.79 54.49 1q5y n ASP 104 Cb 0.00 -1.55 0.69 0.00 2.34 0.00 0.00 41.12 42.59 1q5y n ASP 104 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1q5y h MET 105 N 5.66 0.00 -0.21 -0.67 2.86 -0.12 -0.87 114.93 121.59 1q5y h MET 105 Ca -0.45 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.11 1q5y h MET 105 Cb 1.22 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 1q5y h MET 105 CO 0.87 0.11 -0.19 0.78 1.06 0.00 0.00 176.91 179.53 1q5y h GLY 106 N 0.49 0.55 1.01 8.32 0.00 -1.91 -1.00 103.07 110.52 1q5y h GLY 106 Ca -0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1q5y h GLY 106 CO 0.01 0.50 0.46 -0.55 0.00 0.00 0.00 176.54 176.96 1q5y h ASP 107 N 0.19 0.93 -0.57 0.19 3.32 -1.83 -0.34 116.42 118.31 1q5y h ASP 107 Ca 0.04 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 1q5y h ASP 107 Cb 0.73 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1q5y h ASP 107 CO 0.05 0.73 0.05 0.58 -1.72 0.00 0.00 179.24 178.93 1q5y h VAL 108 N 1.05 1.26 -0.22 -1.35 2.07 -1.09 -1.16 116.25 116.82 1q5y h VAL 108 Ca 0.27 -1.04 -0.17 0.00 0.82 0.00 0.00 66.70 66.58 1q5y h VAL 108 Cb -0.03 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1q5y h VAL 108 CO -0.05 0.38 -0.54 1.56 0.02 0.00 0.00 177.57 178.94 1q5y h GLN 109 N 0.86 0.65 -0.39 1.57 4.20 -0.97 0.16 115.11 121.18 1q5y h GLN 109 Ca 0.17 -0.41 0.02 0.00 0.06 0.00 0.00 58.65 58.49 1q5y h GLN 109 Cb 0.47 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1q5y h GLN 109 CO 0.02 1.02 0.23 1.25 -0.67 0.00 0.00 178.83 180.69 1q5y h HIS 110 N 0.50 0.43 -0.02 2.96 2.76 -0.89 -0.56 115.15 120.34 1q5y h HIS 110 Ca 0.01 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1q5y h HIS 110 Cb 1.10 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.92 1q5y h HIS 110 CO 0.05 0.25 -0.01 0.35 -1.30 0.00 0.00 177.93 177.28 1q5y h PHE 111 N 0.47 -0.03 -0.85 5.26 3.04 -1.01 -1.69 116.94 122.14 1q5y h PHE 111 Ca 0.16 0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.19 1q5y h PHE 111 Cb 0.00 0.01 -0.06 0.00 2.56 0.00 0.00 35.95 38.47 1q5y h PHE 111 CO -0.07 -0.02 0.55 0.00 -2.02 0.00 0.00 178.31 176.75 1q5y h ALA 112 N 1.00 1.62 -0.51 2.41 0.00 -0.72 -1.55 119.26 121.52 1q5y h ALA 112 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1q5y h ALA 112 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1q5y h ALA 112 CO -0.03 0.23 0.29 -0.44 0.00 0.00 0.00 179.25 179.30 1q5y h ASP 113 N 0.89 0.63 -0.56 0.00 3.45 -0.65 -0.27 116.42 119.91 1q5y h ASP 113 Ca 0.38 -0.08 0.02 0.00 0.43 0.00 0.00 57.03 57.78 1q5y h ASP 113 Cb 0.31 -0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 38.88 1q5y h ASP 113 CO -0.15 0.52 0.34 0.44 -1.57 0.00 0.00 179.24 178.83 1q5y h ASP 114 N 0.68 0.56 -0.18 6.45 5.19 -0.38 -2.07 116.42 126.67 1q5y h ASP 114 Ca 0.18 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1q5y h ASP 114 Cb 0.03 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 1q5y h ASP 114 CO -0.03 0.39 0.08 0.58 -3.12 0.00 0.00 179.24 177.14 1q5y h VAL 115 N 0.68 1.15 0.00 -1.35 2.07 -0.91 -3.23 116.25 114.66 1q5y h VAL 115 Ca 0.22 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1q5y h VAL 115 Cb 0.01 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1q5y h VAL 115 CO -0.09 0.14 0.00 -0.38 0.02 0.00 0.00 177.57 177.26 1q5y n ILE 116 N -4.86 0.61 -0.62 4.57 5.41 -0.16 -2.82 119.36 121.49 1q5y n ILE 116 Ca -0.04 0.04 0.08 0.00 1.00 0.00 0.00 62.75 63.83 1q5y n ILE 116 Cb 0.11 -0.82 0.26 0.00 -0.71 0.00 0.00 39.64 38.48 1q5y n ILE 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1q5y n ALA 117 N -1.66 2.78 -2.70 -1.39 0.00 -0.81 -4.85 120.51 111.88 1q5y n ALA 117 Ca 0.04 -1.72 -0.37 0.00 0.00 0.00 0.00 53.44 51.40 1q5y n ALA 117 Cb 0.30 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 1q5y n ALA 117 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1q5y s GLN 118 N -1.95 4.21 0.15 0.00 0.00 -1.13 -5.04 119.66 115.90 1q5y s GLN 118 Ca 0.39 0.07 -0.34 0.00 -0.00 0.00 0.00 55.36 55.47 1q5y s GLN 118 Cb 0.27 -3.47 -0.14 0.00 0.00 0.00 0.00 33.01 29.67 1q5y s GLN 118 CO 0.16 0.13 1.60 0.54 0.00 0.00 0.00 175.29 177.72 1q5y n ARG 119 N 3.94 2.17 0.00 9.60 1.74 -1.26 -1.34 116.66 131.51 1q5y n ARG 119 Ca -0.11 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 1q5y n ARG 119 Cb 0.52 -2.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 1q5y n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q5y n GLY 120 N 3.48 2.73 3.67 -0.13 0.00 -1.26 -5.02 105.19 108.67 1q5y n GLY 120 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1q5y n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q5y s VAL 121 N -2.57 4.91 0.24 1.61 1.01 -0.45 -4.46 120.40 120.70 1q5y s VAL 121 Ca 0.00 1.56 0.10 0.00 0.00 0.00 0.00 61.98 63.64 1q5y s VAL 121 Cb 0.00 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1q5y s VAL 121 CO 0.00 0.06 -0.07 -0.13 0.00 0.00 0.00 175.10 174.96 1q5y s ARG 122 N 1.98 2.10 -1.48 2.72 0.52 0.21 -4.73 118.95 120.26 1q5y s ARG 122 Ca 0.37 -1.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 1q5y s ARG 122 Cb -0.17 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.21 1q5y s ARG 122 CO 0.13 0.39 0.00 0.72 0.02 0.00 0.00 175.30 176.55 1q5y n HIS 123 N -0.49 -1.04 -1.72 -0.53 8.25 -1.26 -0.78 115.22 117.64 1q5y n HIS 123 Ca -0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.96 1q5y n HIS 123 Cb 0.58 -3.30 -0.02 0.00 1.12 0.00 0.00 29.99 28.36 1q5y n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q5y n GLY 124 N -0.81 1.30 3.19 -1.41 0.00 -1.26 -4.37 105.19 101.83 1q5y n GLY 124 Ca -0.19 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 1q5y n GLY 124 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1q5y s HIS 125 N 0.34 -0.36 -0.06 1.61 5.04 0.19 -5.00 115.29 117.06 1q5y s HIS 125 Ca 0.68 0.87 0.03 0.00 -1.54 0.00 0.00 55.06 55.10 1q5y s HIS 125 Cb -0.53 0.12 0.00 0.00 0.04 0.00 0.00 32.58 32.21 1q5y s HIS 125 CO 0.44 -0.18 -0.16 -1.17 -2.34 0.00 0.00 174.74 171.33 1q5y s LEU 126 N 0.34 1.82 -0.26 8.88 2.96 -1.26 -0.96 118.68 130.20 1q5y s LEU 126 Ca -0.01 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1q5y s LEU 126 Cb -0.03 -0.94 0.05 0.00 0.50 0.00 0.00 46.19 45.76 1q5y s LEU 126 CO -0.01 0.10 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.46 1q5y s GLN 127 N 0.33 2.47 -0.04 1.98 2.00 -0.16 -4.99 119.66 121.26 1q5y s GLN 127 Ca -0.10 -1.21 -0.18 0.00 -2.00 0.00 0.00 55.36 51.87 1q5y s GLN 127 Cb -0.14 -2.94 -0.05 0.00 0.80 0.00 0.00 33.01 30.68 1q5y s GLN 127 CO 0.03 -0.52 0.50 0.00 -0.50 0.00 0.00 175.29 174.81 1q5y n LEU 129 N 2.73 2.38 -4.75 0.00 4.77 0.61 -4.99 117.00 117.76 1q5y n LEU 129 Ca -0.09 -5.09 -0.34 0.00 -0.03 0.00 0.00 56.01 50.45 1q5y n LEU 129 Cb 0.51 -0.37 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1q5y n LEU 129 CO 0.42 1.90 0.79 -2.84 -1.33 0.00 0.00 177.39 176.32 1q5y s PRO 130 N -1.50 2.60 0.18 3.23 0.02 -1.26 -1.10 135.00 137.17 1q5y s PRO 130 Ca 0.32 1.64 -0.33 0.00 0.02 0.00 0.00 61.00 62.64 1q5y s PRO 130 Cb 0.05 -1.90 -0.14 0.00 0.02 0.00 0.00 34.50 32.52 1q5y s PRO 130 CO -0.12 -1.45 1.41 1.17 -0.33 0.00 0.00 177.00 177.68 1q5y n LYS 131 N -2.31 1.78 -2.85 5.54 4.81 0.87 -4.86 118.16 121.15 1q5y n LYS 131 Ca 0.12 0.64 -0.28 0.00 -0.87 0.00 0.00 58.31 57.92 1q5y n LYS 131 Cb 0.51 -2.30 -0.02 0.00 0.02 0.00 0.00 35.03 33.24 1q5y n LYS 131 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1q5y s GLU 132 N 0.17 3.64 0.00 1.64 2.02 -1.26 -4.98 118.70 119.93 1q5y s GLU 132 Ca 0.75 0.25 0.28 0.00 0.02 0.00 0.00 54.97 56.27 1q5y s GLU 132 Cb -0.74 -2.43 0.97 0.00 0.10 0.00 0.00 34.13 32.02 1q5y s GLU 132 CO 0.46 -0.07 1.70 -0.25 0.02 0.00 0.00 175.26 177.12