#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2agz h GLU 69 N 0.00 0.40 -0.34 1.20 4.11 -2.02 0.26 114.58 118.19 2agz h GLU 69 Ca 0.00 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.42 2agz h GLU 69 Cb 0.00 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2agz h GLU 69 CO 0.00 0.27 0.21 -0.44 0.07 0.00 0.00 179.01 179.11 2agz h ASP 70 N 0.41 0.34 -0.33 3.06 3.45 -2.01 -2.34 116.42 119.00 2agz h ASP 70 Ca 0.44 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.88 2agz h ASP 70 Cb 0.70 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.38 2agz h ASP 70 CO -0.44 0.25 0.15 -0.08 -1.57 0.00 0.00 179.24 177.55 2agz h GLU 71 N 0.42 0.49 0.00 3.56 4.81 -1.00 -2.73 114.58 120.13 2agz h GLU 71 Ca 0.13 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2agz h GLU 71 Cb -0.02 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2agz h GLU 71 CO -0.05 0.47 0.00 -0.39 -0.73 0.00 0.00 179.01 178.31 2agz h VAL 72 N 0.39 0.00 -0.27 0.32 -1.51 -1.00 -2.75 116.25 111.44 2agz h VAL 72 Ca 0.11 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 2agz h VAL 72 Cb 0.15 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 2agz h VAL 72 CO -0.01 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.92 2agz n ASN 73 N -2.60 1.44 -4.68 4.19 3.02 -0.89 -4.86 115.26 110.89 2agz n ASN 73 Ca 0.02 -1.99 -0.35 0.00 -0.03 0.00 0.00 54.58 52.23 2agz n ASN 73 Cb 0.30 -0.18 -0.09 0.00 -0.61 0.00 0.00 39.78 39.20 2agz n ASN 73 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2agz s SER 74 N -1.01 5.19 0.62 6.41 0.15 -1.04 -4.98 113.70 119.04 2agz s SER 74 Ca 0.18 0.12 0.41 0.00 0.70 0.00 0.00 55.95 57.36 2agz s SER 74 Cb 0.10 -1.44 2.18 0.00 -1.71 0.00 0.00 66.02 65.15 2agz s SER 74 CO 0.13 0.37 2.25 0.00 1.20 0.00 0.00 173.24 177.19 2agz n ASP 76 N -2.99 0.76 -4.78 0.00 9.92 -1.26 -4.74 116.55 113.47 2agz n ASP 76 Ca -0.02 -0.82 -0.41 0.00 -0.53 0.00 0.00 54.79 53.00 2agz n ASP 76 Cb 0.10 0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 2agz n ASP 76 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2agz s TYR 77 N -2.39 2.56 0.39 1.24 6.04 -0.79 -4.87 117.35 119.53 2agz s TYR 77 Ca 0.30 1.16 0.08 0.00 0.04 0.00 0.00 57.07 58.65 2agz s TYR 77 Cb 0.20 -4.03 0.84 0.00 -1.04 0.00 0.00 41.96 37.93 2agz s TYR 77 CO 0.46 -3.04 2.00 0.11 -1.54 0.00 0.00 175.55 173.54 2agz h TRP 78 N 2.94 0.61 -0.00 4.97 5.08 -1.90 -1.11 115.95 126.53 2agz h TRP 78 Ca -0.51 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.48 2agz h TRP 78 Cb 1.24 -0.20 0.00 0.00 -3.00 0.00 0.00 29.16 27.20 2agz h TRP 78 CO 0.53 0.34 -0.12 2.89 -1.28 0.00 0.00 178.44 180.80 2agz n ARG 79 N -4.47 0.71 -0.83 0.12 1.85 -1.26 -3.80 116.66 108.98 2agz n ARG 79 Ca 0.08 -0.26 -0.16 0.00 -1.00 0.00 0.00 57.85 56.50 2agz n ARG 79 Cb 0.19 -1.49 0.11 0.00 -1.05 0.00 0.00 32.46 30.22 2agz n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2agz n HIS 80 N -0.91 2.03 0.49 2.89 8.25 -0.42 -4.65 115.22 122.89 2agz n HIS 80 Ca 0.14 -1.46 0.13 0.00 -0.26 0.00 0.00 57.72 56.27 2agz n HIS 80 Cb 0.28 -0.74 0.44 0.00 1.12 0.00 0.00 29.99 31.09 2agz n HIS 80 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2agz n ALA 82 N -1.82 3.43 -2.65 0.00 0.00 -1.26 -1.08 120.51 117.13 2agz n ALA 82 Ca 0.04 -3.12 -0.41 0.00 0.00 0.00 0.00 53.44 49.94 2agz n ALA 82 Cb 0.35 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 2agz n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2agz s VAL 83 N -4.06 4.94 -0.33 0.00 1.01 -1.16 -4.86 120.40 115.93 2agz s VAL 83 Ca 0.35 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.71 2agz s VAL 83 Cb 0.36 -4.03 0.09 0.00 0.00 0.00 0.00 36.38 32.79 2agz s VAL 83 CO -0.01 0.03 0.04 -0.62 0.00 0.00 0.00 175.10 174.54 2agz s ASP 84 N 1.27 4.84 0.00 3.32 2.15 -1.26 -0.82 116.67 126.17 2agz s ASP 84 Ca 0.32 -1.83 0.00 0.00 0.43 0.00 0.00 52.55 51.47 2agz s ASP 84 Cb -0.16 -1.67 0.00 0.00 -0.30 0.00 0.00 42.92 40.79 2agz s ASP 84 CO 0.10 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 2agz n GLY 85 N 4.43 0.29 3.74 2.66 0.00 -0.38 -4.93 105.19 110.99 2agz n GLY 85 Ca -0.04 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 2agz n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2agz s PHE 86 N -2.62 3.47 -0.00 1.61 0.40 -1.26 -0.43 117.98 119.14 2agz s PHE 86 Ca 0.00 0.60 -0.30 0.00 -0.60 0.00 0.00 56.93 56.63 2agz s PHE 86 Cb 0.00 -2.32 -0.06 0.00 0.51 0.00 0.00 43.02 41.15 2agz s PHE 86 CO 0.00 0.27 1.47 -0.51 0.70 0.00 0.00 175.22 177.14 2agz s LEU 87 N 0.37 4.32 0.50 -0.37 1.43 -0.54 0.03 118.68 124.42 2agz s LEU 87 Ca 0.17 2.17 0.19 0.00 -1.03 0.00 0.00 54.13 55.63 2agz s LEU 87 Cb -0.13 -3.56 1.26 0.00 0.03 0.00 0.00 46.19 43.79 2agz s LEU 87 CO 0.04 -0.77 2.05 0.00 0.23 0.00 0.00 176.35 177.90 2agz n SER 89 N -4.46 0.47 -0.81 0.00 3.41 -1.25 -1.41 113.62 109.57 2agz n SER 89 Ca 0.05 0.66 0.10 0.00 -0.26 0.00 0.00 58.87 59.41 2agz n SER 89 Cb 0.35 -0.74 0.09 0.00 -0.26 0.00 0.00 64.21 63.65 2agz n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2agz n GLY 92 N -0.64 0.68 0.00 0.00 0.00 -1.23 -4.71 105.19 99.29 2agz n GLY 92 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2agz n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2agz n GLY 93 N -2.05 5.44 3.12 -0.02 0.00 -0.82 -4.39 105.19 106.47 2agz n GLY 93 Ca 0.00 -1.98 -0.22 0.00 0.00 0.00 0.00 46.02 43.82 2agz n GLY 93 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2agz n THR 94 N 0.00 0.00 0.02 2.61 -2.24 -0.54 -4.23 114.28 109.90 2agz n THR 94 Ca 0.00 -2.25 0.17 0.00 -2.27 0.00 0.00 64.05 59.70 2agz n THR 94 Cb 0.00 0.90 0.65 0.00 -2.10 0.00 0.00 70.33 69.77 2agz n THR 94 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2agz h THR 95 N 1.74 0.80 0.00 4.28 2.02 -1.93 -3.02 112.91 116.80 2agz h THR 95 Ca -0.28 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.88 2agz h THR 95 Cb 1.14 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2agz h THR 95 CO 0.43 0.01 -0.05 0.35 0.37 0.00 0.00 175.52 176.63 2agz n THR 96 N -4.42 1.43 -3.86 3.16 -2.24 -1.26 -3.64 114.28 103.44 2agz n THR 96 Ca 0.08 -1.67 -0.13 0.00 -2.27 0.00 0.00 64.05 60.06 2agz n THR 96 Cb 0.49 0.04 -0.14 0.00 -2.10 0.00 0.00 70.33 68.63 2agz n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2agz s THR 97 N -2.06 0.00 0.43 4.28 -4.23 -1.14 -5.14 115.64 107.78 2agz s THR 97 Ca 0.20 0.02 -0.24 0.00 -1.18 0.00 0.00 61.69 60.50 2agz s THR 97 Cb 0.18 -0.03 -0.08 0.00 1.34 0.00 0.00 72.50 73.91 2agz s THR 97 CO 0.02 0.02 1.13 0.00 -0.54 0.00 0.00 174.62 175.25 2agz n PRO 99 N -0.22 0.46 -1.64 0.00 -0.02 -1.26 -4.68 135.00 127.64 2agz n PRO 99 Ca 0.06 0.21 -0.47 0.00 -2.02 0.00 0.00 63.50 61.27 2agz n PRO 99 Cb 0.48 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 2agz n PRO 99 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2agz n PRO 100 N -1.52 1.73 -0.87 0.52 -0.02 -1.26 -1.99 135.00 131.59 2agz n PRO 100 Ca 0.12 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2agz n PRO 100 Cb 0.49 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2agz n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2agz n GLY 101 N 2.48 0.74 3.64 -1.23 0.00 -1.26 -5.04 105.19 104.52 2agz n GLY 101 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2agz n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2agz s SER 102 N -2.47 4.74 -0.14 1.61 1.04 -0.84 -4.74 113.70 112.90 2agz s SER 102 Ca 0.00 -0.30 -0.03 0.00 0.48 0.00 0.00 55.95 56.10 2agz s SER 102 Cb 0.00 -1.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.06 2agz s SER 102 CO 0.00 0.16 -0.04 -0.89 0.98 0.00 0.00 173.24 173.45 2agz s THR 103 N -1.36 3.91 0.48 2.02 2.01 0.20 -4.77 115.64 118.13 2agz s THR 103 Ca 0.24 -0.36 -0.24 0.00 0.31 0.00 0.00 61.69 61.64 2agz s THR 103 Cb -0.11 -2.69 -0.07 0.00 0.01 0.00 0.00 72.50 69.64 2agz s THR 103 CO 0.17 0.52 1.39 -2.84 -0.69 0.00 0.00 174.62 173.16 2agz s PRO 104 N 0.11 3.51 0.23 4.92 0.02 -1.26 -0.47 135.00 142.06 2agz s PRO 104 Ca -0.01 2.32 -0.30 0.00 0.02 0.00 0.00 61.00 63.04 2agz s PRO 104 Cb -0.14 -2.52 -0.09 0.00 0.02 0.00 0.00 34.50 31.78 2agz s PRO 104 CO 0.03 -0.92 1.03 -1.54 -0.33 0.00 0.00 177.00 175.27 2agz s SER 105 N -0.70 7.42 0.20 2.53 1.04 0.39 -4.88 113.70 119.71 2agz s SER 105 Ca 0.64 2.08 0.26 0.00 0.48 0.00 0.00 55.95 59.41 2agz s SER 105 Cb -0.42 -2.61 0.87 0.00 0.10 0.00 0.00 66.02 63.96 2agz s SER 105 CO 0.52 -0.05 1.77 -0.81 0.98 0.00 0.00 173.24 175.65 2agz n PRO 106 N 1.68 0.23 -4.39 4.02 -0.04 -1.26 -4.76 135.00 130.48 2agz n PRO 106 Ca -0.00 0.25 -0.20 0.00 -0.04 0.00 0.00 63.50 63.51 2agz n PRO 106 Cb 0.46 -1.80 -0.10 0.00 -0.04 0.00 0.00 33.50 32.02 2agz n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2agz s ILE 107 N -3.14 1.55 0.00 0.52 -4.36 -1.26 -5.16 121.20 109.34 2agz s ILE 107 Ca 0.09 -2.13 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 2agz s ILE 107 Cb 0.12 -2.32 0.00 0.00 1.25 0.00 0.00 42.46 41.51 2agz s ILE 107 CO 0.54 -0.39 0.00 -1.54 0.24 0.00 0.00 174.94 173.79 2agz n SER 108 N -0.50 0.00 -3.57 4.36 3.41 -1.26 -4.57 113.62 111.49 2agz n SER 108 Ca -0.06 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.48 2agz n SER 108 Cb 0.63 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 2agz n SER 108 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2agz s ILE 110 N 1.48 0.00 0.31 -1.33 -4.36 0.34 -4.89 121.20 112.75 2agz s ILE 110 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 60.65 60.20 2agz s ILE 110 Cb 0.00 -1.00 0.04 0.00 1.25 0.00 0.00 42.46 42.75 2agz s ILE 110 CO 0.00 0.00 0.77 -0.83 0.24 0.00 0.00 174.94 175.12 2agz s GLY 111 N -1.82 0.07 -0.04 6.27 0.00 -0.64 -4.49 107.32 106.67 2agz s GLY 111 Ca 0.05 -0.44 0.03 0.00 0.00 0.00 0.00 44.72 44.36 2agz s GLY 111 CO -0.04 -0.09 -0.12 -0.51 0.00 0.00 0.00 173.10 172.34 2agz s THR 112 N -3.27 3.29 -0.01 0.90 -4.23 -1.26 -0.48 115.64 110.58 2agz s THR 112 Ca 0.13 -0.71 0.06 0.00 -1.18 0.00 0.00 61.69 59.98 2agz s THR 112 Cb -0.05 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.44 2agz s THR 112 CO 0.08 0.54 -0.18 0.00 -0.54 0.00 0.00 174.62 174.52 2agz s HIS 114 N -0.47 3.53 -0.37 0.00 2.46 -1.26 -1.10 115.29 118.08 2agz s HIS 114 Ca 0.07 1.44 -0.20 0.00 0.47 0.00 0.00 55.06 56.83 2agz s HIS 114 Cb -0.07 -3.04 0.01 0.00 -0.13 0.00 0.00 32.58 29.34 2agz s HIS 114 CO -0.00 -0.12 0.63 1.21 -2.47 0.00 0.00 174.74 173.99 2agz s ASN 115 N 1.04 6.40 0.34 9.88 3.84 0.43 -4.86 114.94 132.01 2agz s ASN 115 Ca 0.44 0.04 0.05 0.00 0.21 0.00 0.00 52.86 53.60 2agz s ASN 115 Cb -0.18 -2.32 0.61 0.00 -0.55 0.00 0.00 41.25 38.81 2agz s ASN 115 CO 0.18 -0.63 1.86 1.55 -2.79 0.00 0.00 177.10 177.28 2agz h PRO 116 N 8.55 0.47 0.00 0.43 0.13 -1.96 0.95 132.00 140.57 2agz h PRO 116 Ca -0.26 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 64.72 2agz h PRO 116 Cb 1.11 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2agz h PRO 116 CO 0.85 0.54 -0.18 1.25 -0.23 0.00 0.00 178.00 180.23 2agz h HIS 117 N 0.45 0.00 0.00 1.56 2.76 -1.95 -3.22 115.15 114.75 2agz h HIS 117 Ca 0.09 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2agz h HIS 117 Cb 0.38 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.34 2agz h HIS 117 CO 0.01 0.18 0.00 -0.40 -1.30 0.00 0.00 177.93 176.42 2agz n ASP 118 N -3.82 0.66 -0.70 3.26 3.85 -1.19 -5.03 116.55 113.59 2agz n ASP 118 Ca -0.02 -1.07 -0.09 0.00 -0.71 0.00 0.00 54.79 52.90 2agz n ASP 118 Cb 0.28 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.01 2agz n ASP 118 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2agz n GLY 119 N -0.04 0.98 3.78 6.12 0.00 0.32 -5.00 105.19 111.35 2agz n GLY 119 Ca 0.00 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2agz n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2agz s LYS 120 N -2.55 3.02 0.14 1.61 1.02 -1.22 -4.87 119.74 116.89 2agz s LYS 120 Ca 0.00 -0.53 -0.25 0.00 0.02 0.00 0.00 55.97 55.21 2agz s LYS 120 Cb 0.00 -2.82 -0.07 0.00 -0.52 0.00 0.00 37.83 34.41 2agz s LYS 120 CO 0.00 0.63 0.78 -0.51 -0.92 0.00 0.00 175.35 175.33 2agz s ASP 121 N -1.85 7.36 0.00 2.83 1.01 -1.26 -0.42 116.67 124.34 2agz s ASP 121 Ca 0.24 1.62 0.07 0.00 0.71 0.00 0.00 52.55 55.18 2agz s ASP 121 Cb -0.12 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2agz s ASP 121 CO 0.15 0.17 -0.21 -0.31 0.21 0.00 0.00 175.17 175.18 2agz s TYR 122 N -0.91 1.89 -0.06 4.23 1.51 -0.26 -1.31 117.35 122.44 2agz s TYR 122 Ca 0.37 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.76 2agz s TYR 122 Cb -0.23 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 2agz s TYR 122 CO 0.26 0.01 1.26 -0.51 -1.11 0.00 0.00 175.55 175.46 2agz s LEU 123 N -0.73 4.27 -0.08 -1.29 2.01 0.29 -1.34 118.68 121.81 2agz s LEU 123 Ca 0.08 1.87 0.03 0.00 0.01 0.00 0.00 54.13 56.12 2agz s LEU 123 Cb -0.08 -3.56 -0.02 0.00 0.01 0.00 0.00 46.19 42.54 2agz s LEU 123 CO 0.00 -0.64 -0.17 -0.63 1.01 0.00 0.00 176.35 175.91 2agz s ILE 124 N 2.45 2.72 -0.27 -0.59 -1.09 0.36 -0.96 121.20 123.83 2agz s ILE 124 Ca 0.58 -0.82 -0.07 0.00 -2.23 0.00 0.00 60.65 58.11 2agz s ILE 124 Cb -0.26 -2.07 -0.01 0.00 -1.58 0.00 0.00 42.46 38.53 2agz s ILE 124 CO 0.22 0.56 0.08 -0.55 -1.23 0.00 0.00 174.94 174.02 2agz s SER 125 N -0.12 5.15 -1.22 3.58 0.15 0.12 -1.62 113.70 119.73 2agz s SER 125 Ca -0.03 -0.39 -0.09 0.00 0.70 0.00 0.00 55.95 56.15 2agz s SER 125 Cb -0.14 -1.91 0.20 0.00 -1.71 0.00 0.00 66.02 62.46 2agz s SER 125 CO 0.04 -0.10 1.68 -1.22 1.20 0.00 0.00 173.24 174.84 2agz n TYR 126 N 4.91 3.27 -2.42 3.44 4.02 -1.26 -0.90 117.16 128.23 2agz n TYR 126 Ca -0.16 -2.91 -0.36 0.00 -0.01 0.00 0.00 57.90 54.47 2agz n TYR 126 Cb 0.50 -1.83 -0.03 0.00 -0.02 0.00 0.00 39.34 37.97 2agz n TYR 126 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2agz s HIS 127 N -0.18 3.06 0.28 -0.72 3.76 -1.23 -4.73 115.29 115.52 2agz s HIS 127 Ca 0.38 1.59 0.05 0.00 -0.15 0.00 0.00 55.06 56.93 2agz s HIS 127 Cb 0.05 -3.23 -0.02 0.00 1.11 0.00 0.00 32.58 30.49 2agz s HIS 127 CO 0.02 -1.04 0.41 -0.51 -0.85 0.00 0.00 174.74 172.77 2agz s ASP 128 N -1.53 6.22 -0.10 1.40 1.01 -1.26 -0.59 116.67 121.82 2agz s ASP 128 Ca 0.62 0.05 -0.02 0.00 0.71 0.00 0.00 52.55 53.90 2agz s ASP 128 Cb -0.24 -1.72 -0.03 0.00 1.01 0.00 0.00 42.92 41.94 2agz s ASP 128 CO 0.30 -0.20 0.00 0.00 0.21 0.00 0.00 175.17 175.48 2agz n GLY 131 N -0.20 0.65 3.04 0.00 0.00 0.08 -0.63 105.19 108.13 2agz n GLY 131 Ca -0.09 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 2agz n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2agz s LYS 132 N -0.71 0.47 0.93 1.61 1.02 -1.26 -4.91 119.74 116.89 2agz s LYS 132 Ca 0.00 -0.90 -0.12 0.00 0.02 0.00 0.00 55.97 54.97 2agz s LYS 132 Cb 0.00 0.11 0.15 0.00 -0.52 0.00 0.00 37.83 37.56 2agz s LYS 132 CO 0.00 -0.07 1.11 0.95 -0.92 0.00 0.00 175.35 176.42 2agz s THR 133 N -2.55 2.25 -0.04 2.17 -4.23 -1.26 -3.28 115.64 108.70 2agz s THR 133 Ca -0.05 0.08 -0.36 0.00 -1.18 0.00 0.00 61.69 60.18 2agz s THR 133 Cb -0.02 -2.71 -0.14 0.00 1.34 0.00 0.00 72.50 70.97 2agz s THR 133 CO -0.05 -0.10 1.64 0.00 -0.54 0.00 0.00 174.62 175.57 2agz n ALA 134 N -3.88 0.25 -0.21 3.99 0.00 -1.18 -4.58 120.51 114.90 2agz n ALA 134 Ca 0.06 0.41 -0.05 0.00 0.00 0.00 0.00 53.44 53.86 2agz n ALA 134 Cb 0.58 -2.29 0.05 0.00 0.00 0.00 0.00 19.45 17.79 2agz n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2agz n GLY 136 N -1.27 0.96 3.70 0.00 0.00 -1.26 -5.04 105.19 102.28 2agz n GLY 136 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2agz n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2agz s ARG 137 N -0.08 2.81 -1.22 1.61 0.52 -1.26 -4.70 118.95 116.63 2agz s ARG 137 Ca 0.00 -0.61 -0.07 0.00 -0.52 0.00 0.00 55.73 54.53 2agz s ARG 137 Cb 0.00 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.77 2agz s ARG 137 CO 0.00 0.62 0.76 0.00 0.02 0.00 0.00 175.30 176.70 2agz s GLN 139 N -5.73 4.35 0.16 0.00 0.74 -1.26 -1.47 119.66 116.46 2agz s GLN 139 Ca 0.22 1.91 0.11 0.00 0.05 0.00 0.00 55.36 57.65 2agz s GLN 139 Cb -0.06 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 2agz s GLN 139 CO 0.82 -0.41 -0.22 0.00 -0.55 0.00 0.00 175.29 174.93 2agz n ASN 141 N 0.47 0.32 -4.87 0.00 5.15 -1.13 -1.25 115.26 113.95 2agz n ASN 141 Ca -0.14 -3.06 -0.33 0.00 -0.60 0.00 0.00 54.58 50.45 2agz n ASN 141 Cb 0.55 -0.15 -0.05 0.00 -0.53 0.00 0.00 39.78 39.59 2agz n ASN 141 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2agz s THR 142 N -2.01 4.93 -0.02 -0.44 2.01 0.00 -4.95 115.64 115.15 2agz s THR 142 Ca 0.35 0.52 0.05 0.00 0.31 0.00 0.00 61.69 62.92 2agz s THR 142 Cb 0.36 -3.64 0.09 0.00 0.01 0.00 0.00 72.50 69.32 2agz s THR 142 CO -0.06 0.01 1.04 0.00 -0.69 0.00 0.00 174.62 174.92 2agz n GLN 143 N 0.09 0.22 -1.78 4.92 1.13 -1.14 -3.32 117.38 117.51 2agz n GLN 143 Ca -0.01 -1.36 -0.42 0.00 -1.94 0.00 0.00 57.00 53.26 2agz n GLN 143 Cb 0.52 -0.63 -0.03 0.00 0.11 0.00 0.00 30.24 30.22 2agz n GLN 143 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2agz s THR 144 N -0.49 3.20 0.00 5.09 2.01 -0.24 -1.83 115.64 123.38 2agz s THR 144 Ca 0.08 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.32 2agz s THR 144 Cb 0.08 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.42 2agz s THR 144 CO -0.01 -0.04 0.00 0.54 -0.69 0.00 0.00 174.62 174.42 2agz n ARG 145 N 7.59 -0.40 -2.18 4.92 5.12 -1.26 -4.54 116.66 125.91 2agz n ARG 145 Ca 0.20 0.10 -0.40 0.00 -1.93 0.00 0.00 57.85 55.83 2agz n ARG 145 Cb 0.42 -3.69 -0.02 0.00 -1.16 0.00 0.00 32.46 28.02 2agz n ARG 145 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2agz s GLU 146 N -0.69 4.21 0.16 5.56 -6.30 -0.76 -5.00 118.70 115.87 2agz s GLU 146 Ca 0.00 2.07 0.04 0.00 -2.50 0.00 0.00 54.97 54.58 2agz s GLU 146 Cb 0.00 -2.91 -0.05 0.00 0.00 0.00 0.00 34.13 31.18 2agz s GLU 146 CO 0.00 -0.26 -0.08 1.03 0.02 0.00 0.00 175.26 175.97 2agz s ARG 147 N -2.00 1.10 1.20 4.30 1.81 -0.95 -5.03 118.95 119.38 2agz s ARG 147 Ca 0.52 -1.49 -0.18 0.00 -1.72 0.00 0.00 55.73 52.87 2agz s ARG 147 Cb -0.36 -0.59 0.28 0.00 -0.45 0.00 0.00 34.95 33.83 2agz s ARG 147 CO 0.47 0.04 1.07 -2.14 -0.68 0.00 0.00 175.30 174.06 2agz s PRO 148 N -3.78 -1.17 0.19 3.54 0.02 -1.26 -3.58 135.00 128.96 2agz s PRO 148 Ca 0.19 0.14 0.19 0.00 0.02 0.00 0.00 61.00 61.54 2agz s PRO 148 Cb 0.03 -1.58 0.84 0.00 0.02 0.00 0.00 34.50 33.81 2agz s PRO 148 CO 0.02 -3.72 1.58 0.41 -0.33 0.00 0.00 177.00 174.96 2agz n GLY 149 N -0.49 -1.08 0.00 0.52 0.00 -1.26 -0.73 105.19 102.15 2agz n GLY 149 Ca 0.11 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.28 2agz n GLY 149 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2agz n TYR 150 N -2.01 0.00 -3.54 1.61 0.18 -1.26 -2.79 117.16 109.36 2agz n TYR 150 Ca 0.02 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.50 2agz n TYR 150 Cb 0.16 -0.40 -0.08 0.00 -0.38 0.00 0.00 39.34 38.64 2agz n TYR 150 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2agz n GLU 151 N -1.40 2.52 -0.27 -3.48 1.02 0.09 -5.01 120.64 114.10 2agz n GLU 151 Ca 0.06 -4.60 -0.06 0.00 -0.02 0.00 0.00 57.16 52.54 2agz n GLU 151 Cb 0.18 -2.30 0.06 0.00 -0.02 0.00 0.00 31.44 29.36 2agz n GLU 151 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2agz h PHE 152 N 4.76 1.17 0.00 -0.32 3.57 -1.68 -0.67 116.94 123.77 2agz h PHE 152 Ca 0.18 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2agz h PHE 152 Cb 0.69 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.09 2agz h PHE 152 CO 0.74 0.90 0.00 1.19 -2.23 0.00 0.00 178.31 178.91 2agz n PHE 153 N -4.30 0.00 0.03 0.41 3.01 -1.26 -2.10 117.46 113.25 2agz n PHE 153 Ca 0.06 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.63 2agz n PHE 153 Cb 0.20 0.00 0.22 0.00 -0.01 0.00 0.00 39.48 39.89 2agz n PHE 153 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2agz n LEU 154 N -0.98 3.41 -4.57 4.37 4.77 -0.26 -0.50 117.00 123.24 2agz n LEU 154 Ca 0.20 -1.70 -0.34 0.00 -0.03 0.00 0.00 56.01 54.13 2agz n LEU 154 Cb 0.09 -0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 40.77 2agz n LEU 154 CO 0.15 0.79 -0.32 -2.28 -1.33 0.00 0.00 177.39 174.40 2agz s HIS 155 N -1.21 3.11 -0.17 -1.77 2.46 -0.89 -2.24 115.29 114.57 2agz s HIS 155 Ca 0.37 -0.10 0.12 0.00 0.47 0.00 0.00 55.06 55.92 2agz s HIS 155 Cb 0.21 -1.95 0.24 0.00 -0.13 0.00 0.00 32.58 30.94 2agz s HIS 155 CO 0.28 0.12 1.15 0.27 -2.47 0.00 0.00 174.74 174.09 2agz n ASN 156 N 3.25 2.52 -1.75 9.88 0.23 -1.26 -4.55 115.26 123.57 2agz n ASN 156 Ca -0.17 -2.66 0.07 0.00 -0.53 0.00 0.00 54.58 51.29 2agz n ASN 156 Cb 0.53 -0.30 0.37 0.00 -2.08 0.00 0.00 39.78 38.30 2agz n ASN 156 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2agz n ASP 157 N -0.85 5.25 -4.46 0.53 8.00 -1.26 -4.67 116.55 119.09 2agz n ASP 157 Ca 0.12 -2.77 -0.24 0.00 0.71 0.00 0.00 54.79 52.61 2agz n ASP 157 Cb 0.54 -0.65 -0.10 0.00 -0.02 0.00 0.00 41.12 40.89 2agz n ASP 157 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2agz s VAL 158 N -2.46 2.40 -0.49 2.53 -7.23 -1.26 -5.11 120.40 108.78 2agz s VAL 158 Ca 0.51 -2.38 -0.27 0.00 -1.81 0.00 0.00 61.98 58.03 2agz s VAL 158 Cb 0.37 -2.30 0.03 0.00 0.56 0.00 0.00 36.38 35.05 2agz s VAL 158 CO 0.17 -0.41 1.05 0.21 -0.31 0.00 0.00 175.10 175.82 2agz s ASN 159 N -3.50 6.54 0.00 4.85 2.47 -1.26 -4.90 114.94 119.13 2agz s ASN 159 Ca 0.29 0.23 0.23 0.00 0.42 0.00 0.00 52.86 54.04 2agz s ASN 159 Cb -0.04 -2.50 1.36 0.00 -1.45 0.00 0.00 41.25 38.61 2agz s ASN 159 CO 0.14 -1.20 1.77 0.79 -3.72 0.00 0.00 177.10 174.87 2agz n TRP 160 N 7.64 0.00 1.97 0.43 7.02 -1.26 -1.45 117.44 131.79 2agz n TRP 160 Ca 0.09 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.67 2agz n TRP 160 Cb 0.49 -0.05 0.62 0.00 -2.42 0.00 0.00 31.31 29.95 2agz n TRP 160 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2agz h MET 162 N 0.00 0.00 -0.41 0.00 -0.00 -1.53 -1.10 114.93 111.89 2agz h MET 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2agz h MET 162 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2agz h MET 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.91 2agz n ALA 163 N -2.22 2.27 -1.59 -3.00 0.00 -1.26 -4.93 120.51 109.78 2agz n ALA 163 Ca -0.02 -1.12 -0.31 0.00 0.00 0.00 0.00 53.44 52.00 2agz n ALA 163 Cb 0.15 -0.57 0.06 0.00 0.00 0.00 0.00 19.45 19.10 2agz n ALA 163 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2agz s ASN 164 N -1.03 5.06 0.31 0.00 0.01 -0.42 -4.94 114.94 113.94 2agz s ASN 164 Ca 0.29 1.45 0.03 0.00 -0.71 0.00 0.00 52.86 53.92 2agz s ASN 164 Cb 0.16 -2.28 0.60 0.00 0.41 0.00 0.00 41.25 40.14 2agz s ASN 164 CO 0.21 -1.63 1.90 -0.08 -1.51 0.00 0.00 177.10 175.99 2agz h GLU 165 N -0.85 0.91 -4.48 -0.60 4.81 -1.95 -3.35 114.58 109.06 2agz h GLU 165 Ca -0.45 -0.05 -0.57 0.00 -0.13 0.00 0.00 59.36 58.15 2agz h GLU 165 Cb 1.24 -0.21 -0.36 0.00 0.63 0.00 0.00 28.75 30.05 2agz h GLU 165 CO 0.58 0.60 -0.82 1.21 -0.73 0.00 0.00 179.01 179.86 2agz s ASN 166 N -5.95 2.50 0.00 1.04 3.84 -1.26 -5.03 114.94 110.08 2agz s ASN 166 Ca -0.11 -0.42 0.25 0.00 0.21 0.00 0.00 52.86 52.79 2agz s ASN 166 Cb 0.20 -1.04 1.24 0.00 -0.55 0.00 0.00 41.25 41.11 2agz s ASN 166 CO 0.80 -0.08 1.83 -1.54 -2.79 0.00 0.00 177.10 175.31 2agz n SER 167 N 4.84 0.68 -4.71 -4.21 3.41 -1.26 -3.31 113.62 109.06 2agz n SER 167 Ca -0.15 -1.38 -0.42 0.00 -0.26 0.00 0.00 58.87 56.66 2agz n SER 167 Cb 0.50 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 2agz n SER 167 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2agz s THR 168 N -1.95 2.55 -0.13 6.66 2.01 -1.26 -4.70 115.64 118.81 2agz s THR 168 Ca 0.37 0.28 -0.27 0.00 0.31 0.00 0.00 61.69 62.38 2agz s THR 168 Cb 0.18 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 2agz s THR 168 CO 0.29 0.01 0.88 0.12 -0.69 0.00 0.00 174.62 175.24 2agz s PHE 169 N 1.75 3.47 -0.14 4.92 5.36 -1.26 -0.74 117.98 131.34 2agz s PHE 169 Ca 0.74 1.38 -0.12 0.00 -0.96 0.00 0.00 56.93 57.97 2agz s PHE 169 Cb -0.45 -3.05 -0.06 0.00 -0.34 0.00 0.00 43.02 39.12 2agz s PHE 169 CO 0.33 -0.20 -0.26 1.58 -1.46 0.00 0.00 175.22 175.21 2agz n HIS 170 N 4.98 0.00 -3.82 10.12 -0.00 -0.34 -3.12 115.22 123.04 2agz n HIS 170 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.71 2agz n HIS 170 Cb 0.49 -0.51 -0.02 0.00 -0.00 0.00 0.00 29.99 29.95 2agz n HIS 170 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2agz s THR 172 N -3.79 1.67 0.34 0.00 -1.32 0.11 -0.18 115.64 112.47 2agz s THR 172 Ca 0.11 -1.49 0.07 0.00 -1.21 0.00 0.00 61.69 59.17 2agz s THR 172 Cb -0.05 -1.52 -0.07 0.00 -1.51 0.00 0.00 72.50 69.36 2agz s THR 172 CO 0.05 -0.04 -0.03 0.42 -2.21 0.00 0.00 174.62 172.81 2agz s THR 173 N -1.13 1.87 -0.28 5.08 -4.23 0.24 -1.56 115.64 115.63 2agz s THR 173 Ca 0.06 -2.10 -0.02 0.00 -1.18 0.00 0.00 61.69 58.46 2agz s THR 173 Cb -0.10 -2.72 0.09 0.00 1.34 0.00 0.00 72.50 71.11 2agz s THR 173 CO 0.04 -0.14 0.08 -0.44 -0.54 0.00 0.00 174.62 173.62 2agz s SER 174 N -3.58 3.71 -0.22 3.99 0.01 -1.24 -3.52 113.70 112.85 2agz s SER 174 Ca 0.33 -1.39 -0.08 0.00 1.31 0.00 0.00 55.95 56.12 2agz s SER 174 Cb 0.06 -0.76 -0.04 0.00 0.21 0.00 0.00 66.02 65.49 2agz s SER 174 CO 0.16 -0.38 0.09 -0.69 0.41 0.00 0.00 173.24 172.82 2agz s VAL 175 N 1.71 4.76 -0.15 3.43 1.01 -0.07 -4.79 120.40 126.29 2agz s VAL 175 Ca 0.06 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 2agz s VAL 175 Cb -0.17 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 2agz s VAL 175 CO -0.22 0.40 1.07 -0.22 0.00 0.00 0.00 175.10 176.13 2agz s LEU 176 N 0.91 4.19 -0.20 3.92 0.20 -1.26 0.12 118.68 126.55 2agz s LEU 176 Ca 0.05 1.53 -0.18 0.00 0.69 0.00 0.00 54.13 56.21 2agz s LEU 176 Cb -0.14 -3.55 -0.20 0.00 -0.43 0.00 0.00 46.19 41.88 2agz s LEU 176 CO 0.03 -0.59 0.19 0.52 -0.29 0.00 0.00 176.35 176.21 2agz n VAL 177 N 4.94 1.58 -3.19 1.68 0.31 -0.13 -4.94 118.33 118.58 2agz n VAL 177 Ca 0.11 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2agz n VAL 177 Cb 0.47 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 2agz n VAL 177 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2agz n GLY 178 N 1.52 -1.66 3.77 2.92 0.00 -1.21 -5.02 105.19 105.51 2agz n GLY 178 Ca -0.34 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 2agz n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2agz s LEU 179 N 0.00 4.21 0.68 0.99 1.43 -1.26 -0.55 118.68 124.18 2agz s LEU 179 Ca 0.00 2.66 -0.11 0.00 -1.03 0.00 0.00 54.13 55.64 2agz s LEU 179 Cb 0.00 -3.91 -0.00 0.00 0.03 0.00 0.00 46.19 42.31 2agz s LEU 179 CO 0.00 -0.86 1.06 0.00 0.23 0.00 0.00 176.35 176.78 2agz s ALA 180 N -1.26 2.81 0.04 4.21 0.00 -0.43 -4.57 121.76 122.56 2agz s ALA 180 Ca 0.57 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 2agz s ALA 180 Cb -0.38 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 2agz s ALA 180 CO 0.49 -1.08 1.11 0.15 0.00 0.00 0.00 175.76 176.43 2agz s LYS 181 N -5.16 4.48 0.00 0.00 -0.14 -1.26 -4.95 119.74 112.71 2agz s LYS 181 Ca 0.57 1.63 0.19 0.00 -1.36 0.00 0.00 55.97 57.00 2agz s LYS 181 Cb -0.12 -3.39 1.11 0.00 -1.68 0.00 0.00 37.83 33.75 2agz s LYS 181 CO 0.54 -0.18 1.51 0.09 -0.76 0.00 0.00 175.35 176.55