#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2agw n LEU 62 N 0.00 2.42 -3.63 2.46 4.77 -1.26 -4.78 117.00 116.98 2agw n LEU 62 Ca 0.00 -0.86 -0.27 0.00 -0.03 0.00 0.00 56.01 54.85 2agw n LEU 62 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 2agw n LEU 62 CO 0.00 0.43 -0.17 0.59 -1.33 0.00 0.00 177.39 176.90 2agw n ASN 63 N 0.54 1.30 -0.10 -1.43 3.02 -1.26 -4.99 115.26 112.33 2agw n ASN 63 Ca 0.11 -2.81 0.19 0.00 -0.03 0.00 0.00 54.58 52.05 2agw n ASN 63 Cb 0.52 -0.66 0.61 0.00 -0.61 0.00 0.00 39.78 39.64 2agw n ASN 63 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2agw h PRO 64 N 5.45 0.19 0.00 3.52 0.13 -1.97 0.86 132.00 140.18 2agw h PRO 64 Ca 0.21 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2agw h PRO 64 Cb 0.83 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2agw h PRO 64 CO 0.55 0.12 0.00 -0.44 -0.23 0.00 0.00 178.00 178.00 2agw h ASP 65 N 0.19 0.00 0.26 1.44 3.32 -2.00 -0.83 116.42 118.80 2agw h ASP 65 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2agw h ASP 65 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2agw h ASP 65 CO -0.06 0.00 -0.61 0.18 -1.72 0.00 0.00 179.24 177.03 2agw n LEU 66 N -2.92 0.88 -4.97 1.55 4.77 0.29 -4.98 117.00 111.62 2agw n LEU 66 Ca -0.01 -0.27 -0.24 0.00 -0.03 0.00 0.00 56.01 55.46 2agw n LEU 66 Cb 0.16 -0.13 0.10 0.00 -2.33 0.00 0.00 43.42 41.22 2agw n LEU 66 CO 0.21 0.20 0.57 0.00 -1.33 0.00 0.00 177.39 177.04 2agw s ALA 67 N -2.87 3.48 -0.09 -1.18 0.00 -0.32 -5.03 121.76 115.75 2agw s ALA 67 Ca 0.13 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.29 2agw s ALA 67 Cb 0.17 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2agw s ALA 67 CO 0.71 -1.46 1.41 1.21 0.00 0.00 0.00 175.76 177.64 2agw s ASN 68 N -4.68 6.84 0.31 0.00 2.47 -1.26 -4.91 114.94 113.70 2agw s ASN 68 Ca 0.65 1.95 0.07 0.00 0.42 0.00 0.00 52.86 55.95 2agw s ASN 68 Cb -0.07 -2.54 0.81 0.00 -1.45 0.00 0.00 41.25 38.00 2agw s ASN 68 CO 0.45 -0.80 1.72 1.05 -3.72 0.00 0.00 177.10 175.80 2agw h GLU 69 N 8.52 0.51 0.00 0.43 4.11 -1.96 0.56 114.58 126.76 2agw h GLU 69 Ca -0.33 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.01 2agw h GLU 69 Cb 1.14 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2agw h GLU 69 CO 0.95 0.34 -0.29 0.38 0.07 0.00 0.00 179.01 180.46 2agw h ASP 70 N 0.53 0.00 -0.06 3.06 2.03 -1.96 -0.66 116.42 119.36 2agw h ASP 70 Ca 0.60 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.88 2agw h ASP 70 Cb 1.13 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.63 2agw h ASP 70 CO -0.48 0.29 -0.05 -0.08 -1.03 0.00 0.00 179.24 177.88 2agw h GLU 71 N 0.00 0.14 0.00 4.15 4.81 -0.26 -3.17 114.58 120.25 2agw h GLU 71 Ca -0.00 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 2agw h GLU 71 Cb 0.53 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2agw h GLU 71 CO 0.04 0.57 -0.21 -0.39 -0.73 0.00 0.00 179.01 178.29 2agw h VAL 72 N -0.28 0.48 -0.23 0.32 -1.51 -1.19 -2.86 116.25 110.98 2agw h VAL 72 Ca 0.01 -1.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 2agw h VAL 72 Cb 0.54 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 2agw h VAL 72 CO 0.01 0.21 0.00 0.59 -1.23 0.00 0.00 177.57 177.15 2agw n ASN 73 N -3.32 1.28 -4.89 4.19 3.02 -0.28 -4.85 115.26 110.42 2agw n ASN 73 Ca 0.01 -1.94 -0.35 0.00 -0.03 0.00 0.00 54.58 52.27 2agw n ASN 73 Cb 0.45 -0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 39.42 2agw n ASN 73 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2agw s SER 74 N -1.09 6.39 0.60 6.41 0.15 -1.08 -4.97 113.70 120.12 2agw s SER 74 Ca 0.19 0.42 0.36 0.00 0.70 0.00 0.00 55.95 57.61 2agw s SER 74 Cb 0.10 -2.04 1.95 0.00 -1.71 0.00 0.00 66.02 64.32 2agw s SER 74 CO 0.13 0.32 2.24 0.00 1.20 0.00 0.00 173.24 177.13 2agw n ASP 76 N -3.40 0.20 -4.67 0.00 8.00 -1.26 -4.77 116.55 110.65 2agw n ASP 76 Ca -0.02 0.09 -0.44 0.00 0.71 0.00 0.00 54.79 55.12 2agw n ASP 76 Cb 0.14 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 2agw n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2agw n TYR 77 N -1.40 2.10 -0.19 1.24 -0.00 -0.74 -4.84 117.16 113.33 2agw n TYR 77 Ca 0.08 0.49 0.07 0.00 -0.00 0.00 0.00 57.90 58.54 2agw n TYR 77 Cb 0.32 -2.43 0.36 0.00 -0.00 0.00 0.00 39.34 37.59 2agw n TYR 77 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.86 176.97 2agw h TRP 78 N 3.60 0.77 -0.00 2.98 5.08 -1.90 -1.74 115.95 124.74 2agw h TRP 78 Ca -0.45 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.54 2agw h TRP 78 Cb 1.28 -0.25 0.00 0.00 -3.00 0.00 0.00 29.16 27.19 2agw h TRP 78 CO 0.54 0.40 -0.02 2.89 -1.28 0.00 0.00 178.44 180.97 2agw n ARG 79 N -4.49 0.37 -0.88 0.12 1.85 -1.26 -3.74 116.66 108.63 2agw n ARG 79 Ca 0.11 -0.02 -0.18 0.00 -1.00 0.00 0.00 57.85 56.77 2agw n ARG 79 Cb 0.25 -1.50 0.11 0.00 -1.05 0.00 0.00 32.46 30.27 2agw n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2agw n HIS 80 N -1.30 2.10 0.75 2.89 8.25 -0.65 -4.68 115.22 122.57 2agw n HIS 80 Ca 0.13 -1.60 0.12 0.00 -0.26 0.00 0.00 57.72 56.11 2agw n HIS 80 Cb 0.26 -0.81 0.49 0.00 1.12 0.00 0.00 29.99 31.06 2agw n HIS 80 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2agw n ALA 82 N -1.62 3.21 -2.71 0.00 0.00 -1.26 -1.32 120.51 116.81 2agw n ALA 82 Ca 0.06 -2.98 -0.40 0.00 0.00 0.00 0.00 53.44 50.12 2agw n ALA 82 Cb 0.33 -0.68 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 2agw n ALA 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2agw s VAL 83 N -3.36 5.03 -0.35 0.00 0.11 -1.17 -4.86 120.40 115.79 2agw s VAL 83 Ca 0.35 1.50 0.01 0.00 -2.93 0.00 0.00 61.98 60.91 2agw s VAL 83 Cb 0.36 -4.07 0.11 0.00 -1.53 0.00 0.00 36.38 31.25 2agw s VAL 83 CO -0.04 0.24 0.12 -0.62 -3.33 0.00 0.00 175.10 171.46 2agw s ASP 84 N 0.83 4.16 0.00 3.54 2.15 -1.26 -0.97 116.67 125.13 2agw s ASP 84 Ca 0.39 -2.03 0.00 0.00 0.43 0.00 0.00 52.55 51.34 2agw s ASP 84 Cb -0.18 -1.13 0.00 0.00 -0.30 0.00 0.00 42.92 41.31 2agw s ASP 84 CO 0.19 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.43 2agw n GLY 85 N 4.36 -0.23 3.72 2.66 0.00 -0.42 -4.96 105.19 110.32 2agw n GLY 85 Ca 0.02 -1.44 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 2agw n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2agw s PHE 86 N -2.82 3.52 0.05 1.61 0.40 -1.26 -0.69 117.98 118.80 2agw s PHE 86 Ca 0.00 0.94 -0.31 0.00 -0.60 0.00 0.00 56.93 56.96 2agw s PHE 86 Cb 0.00 -2.59 -0.06 0.00 0.51 0.00 0.00 43.02 40.88 2agw s PHE 86 CO 0.00 0.16 1.35 -0.51 0.70 0.00 0.00 175.22 176.92 2agw s LEU 87 N 0.64 4.34 0.54 -0.37 1.43 -0.56 0.08 118.68 124.78 2agw s LEU 87 Ca 0.28 2.16 0.22 0.00 -1.03 0.00 0.00 54.13 55.75 2agw s LEU 87 Cb -0.15 -3.57 1.48 0.00 0.03 0.00 0.00 46.19 43.97 2agw s LEU 87 CO 0.11 -0.65 2.17 0.00 0.23 0.00 0.00 176.35 178.22 2agw n SER 89 N -4.17 0.55 -1.02 0.00 3.41 -1.26 -1.35 113.62 109.78 2agw n SER 89 Ca -0.03 0.66 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 2agw n SER 89 Cb 0.11 -0.77 0.16 0.00 -0.26 0.00 0.00 64.21 63.46 2agw n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2agw n GLY 92 N -1.34 0.71 0.00 0.00 0.00 -1.23 -4.68 105.19 98.64 2agw n GLY 92 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2agw n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2agw n GLY 93 N -2.07 4.66 2.85 -0.02 0.00 -0.86 -4.44 105.19 105.31 2agw n GLY 93 Ca 0.00 -1.98 -0.20 0.00 0.00 0.00 0.00 46.02 43.84 2agw n GLY 93 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2agw n THR 94 N 0.00 0.00 -0.09 2.61 -2.24 -0.62 -4.31 114.28 109.63 2agw n THR 94 Ca 0.00 -2.09 0.21 0.00 -2.27 0.00 0.00 64.05 59.90 2agw n THR 94 Cb 0.00 0.89 0.65 0.00 -2.10 0.00 0.00 70.33 69.77 2agw n THR 94 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2agw h THR 95 N 1.75 0.70 0.00 4.28 2.02 -1.92 -2.84 112.91 116.89 2agw h THR 95 Ca -0.24 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2agw h THR 95 Cb 1.05 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2agw h THR 95 CO 0.37 0.02 -0.08 0.35 0.37 0.00 0.00 175.52 176.55 2agw n THR 96 N -4.38 1.35 -3.77 3.16 -2.24 -1.26 -3.31 114.28 103.82 2agw n THR 96 Ca 0.13 -1.58 -0.14 0.00 -2.27 0.00 0.00 64.05 60.19 2agw n THR 96 Cb 0.68 0.07 -0.15 0.00 -2.10 0.00 0.00 70.33 68.82 2agw n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2agw s THR 97 N -1.96 -0.05 0.44 4.28 -4.23 -1.07 -5.13 115.64 107.92 2agw s THR 97 Ca 0.20 0.19 -0.24 0.00 -1.18 0.00 0.00 61.69 60.66 2agw s THR 97 Cb 0.17 -0.12 -0.08 0.00 1.34 0.00 0.00 72.50 73.82 2agw s THR 97 CO 0.02 0.08 1.25 0.00 -0.54 0.00 0.00 174.62 175.43 2agw n PRO 99 N -0.24 0.57 -1.61 0.00 -0.02 -1.26 -4.69 135.00 127.74 2agw n PRO 99 Ca 0.06 0.24 -0.51 0.00 -2.02 0.00 0.00 63.50 61.27 2agw n PRO 99 Cb 0.45 -2.05 -0.06 0.00 -0.02 0.00 0.00 33.50 31.83 2agw n PRO 99 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2agw n PRO 100 N -1.14 1.35 -0.82 0.52 -0.02 -1.26 -1.92 135.00 131.70 2agw n PRO 100 Ca 0.12 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2agw n PRO 100 Cb 0.49 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2agw n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2agw n GLY 101 N 2.72 0.64 3.50 -1.23 0.00 -1.26 -5.03 105.19 104.54 2agw n GLY 101 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2agw n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2agw s SER 102 N -2.16 3.93 -0.09 1.61 1.04 -0.81 -4.67 113.70 112.54 2agw s SER 102 Ca 0.00 -0.61 0.03 0.00 0.48 0.00 0.00 55.95 55.85 2agw s SER 102 Cb 0.00 -0.55 -0.01 0.00 0.10 0.00 0.00 66.02 65.55 2agw s SER 102 CO 0.00 0.15 -0.19 -0.89 0.98 0.00 0.00 173.24 173.29 2agw s THR 103 N -1.39 2.58 0.48 2.02 2.01 -0.21 -4.73 115.64 116.39 2agw s THR 103 Ca 0.20 -0.85 -0.23 0.00 0.31 0.00 0.00 61.69 61.12 2agw s THR 103 Cb -0.10 -2.02 -0.07 0.00 0.01 0.00 0.00 72.50 70.32 2agw s THR 103 CO 0.12 0.55 1.30 -2.84 -0.69 0.00 0.00 174.62 173.06 2agw s PRO 104 N 0.07 3.57 0.22 4.92 0.02 -1.26 -0.51 135.00 142.03 2agw s PRO 104 Ca -0.08 2.11 -0.30 0.00 0.02 0.00 0.00 61.00 62.75 2agw s PRO 104 Cb -0.15 -2.46 -0.08 0.00 0.02 0.00 0.00 34.50 31.82 2agw s PRO 104 CO 0.05 -0.80 1.17 -1.54 -0.33 0.00 0.00 177.00 175.54 2agw s SER 105 N -0.96 7.14 0.11 2.53 1.04 0.26 -4.87 113.70 118.95 2agw s SER 105 Ca 0.65 2.25 0.27 0.00 0.48 0.00 0.00 55.95 59.59 2agw s SER 105 Cb -0.37 -2.61 1.00 0.00 0.10 0.00 0.00 66.02 64.14 2agw s SER 105 CO 0.45 -0.30 1.82 -0.81 0.98 0.00 0.00 173.24 175.39 2agw n PRO 106 N 2.06 0.13 -4.47 4.02 -0.04 -1.26 -4.76 135.00 130.68 2agw n PRO 106 Ca 0.02 0.13 -0.23 0.00 -0.04 0.00 0.00 63.50 63.38 2agw n PRO 106 Cb 0.45 -1.66 -0.10 0.00 -0.04 0.00 0.00 33.50 32.15 2agw n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2agw s ILE 107 N -3.06 2.13 0.00 0.52 -4.36 -1.26 -5.17 121.20 110.00 2agw s ILE 107 Ca 0.12 -2.26 0.00 0.00 -0.26 0.00 0.00 60.65 58.25 2agw s ILE 107 Cb 0.15 -2.42 0.00 0.00 1.25 0.00 0.00 42.46 41.44 2agw s ILE 107 CO 0.54 -0.33 0.00 -1.54 0.24 0.00 0.00 174.94 173.84 2agw n SER 108 N -0.64 0.00 -3.69 4.36 3.41 -1.26 -4.64 113.62 111.15 2agw n SER 108 Ca -0.05 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.57 2agw n SER 108 Cb 0.62 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.58 2agw n SER 108 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2agw s ILE 110 N 1.24 0.00 -5.00 -1.33 -4.36 0.11 -4.88 121.20 106.97 2agw s ILE 110 Ca 0.00 -0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.12 2agw s ILE 110 Cb 0.00 -2.65 0.00 0.00 1.25 0.00 0.00 42.46 41.06 2agw s ILE 110 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 2agw n GLY 111 N -0.74 -2.61 3.61 6.27 0.00 -0.76 -4.57 105.19 106.38 2agw n GLY 111 Ca -0.01 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 2agw n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2agw s THR 112 N -2.08 3.59 0.04 2.61 -4.23 -1.26 0.36 115.64 114.68 2agw s THR 112 Ca 0.00 -1.08 0.06 0.00 -1.18 0.00 0.00 61.69 59.48 2agw s THR 112 Cb 0.00 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 2agw s THR 112 CO 0.00 0.18 -0.16 0.00 -0.54 0.00 0.00 174.62 174.10 2agw s HIS 114 N -0.80 3.52 -0.48 0.00 2.46 -1.26 -1.24 115.29 117.49 2agw s HIS 114 Ca 0.04 1.16 -0.20 0.00 0.47 0.00 0.00 55.06 56.52 2agw s HIS 114 Cb -0.08 -2.80 0.04 0.00 -0.13 0.00 0.00 32.58 29.61 2agw s HIS 114 CO 0.01 0.01 0.65 1.21 -2.47 0.00 0.00 174.74 174.16 2agw s ASN 115 N 0.89 6.27 0.30 9.88 3.84 0.43 -4.83 114.94 131.72 2agw s ASN 115 Ca 0.35 -0.62 0.26 0.00 0.21 0.00 0.00 52.86 53.06 2agw s ASN 115 Cb -0.17 -2.31 0.92 0.00 -0.55 0.00 0.00 41.25 39.14 2agw s ASN 115 CO 0.15 -0.87 1.76 1.55 -2.79 0.00 0.00 177.10 176.91 2agw h PRO 116 N 8.97 0.00 -0.06 0.43 0.13 -1.94 0.17 132.00 139.70 2agw h PRO 116 Ca -0.26 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.77 2agw h PRO 116 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2agw h PRO 116 CO 0.94 0.00 -0.34 0.45 -0.23 0.00 0.00 178.00 178.82 2agw h HIS 117 N 0.00 0.45 -0.02 1.56 3.86 -1.95 -3.34 115.15 115.71 2agw h HIS 117 Ca 0.00 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 2agw h HIS 117 Cb 0.56 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2agw h HIS 117 CO 0.00 0.95 -0.02 -0.40 0.86 0.00 0.00 177.93 179.32 2agw n ASP 118 N -4.42 2.06 -0.09 2.45 3.85 -1.21 -5.00 116.55 114.18 2agw n ASP 118 Ca -0.09 -1.53 -0.01 0.00 -0.71 0.00 0.00 54.79 52.45 2agw n ASP 118 Cb 0.52 0.04 -0.01 0.00 -1.35 0.00 0.00 41.12 40.32 2agw n ASP 118 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2agw n GLY 119 N 0.77 0.42 3.86 6.12 0.00 0.59 -5.00 105.19 111.95 2agw n GLY 119 Ca 0.08 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 2agw n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2agw s LYS 120 N -1.04 2.68 -0.07 1.61 1.02 -1.14 -4.89 119.74 117.90 2agw s LYS 120 Ca 0.00 -1.36 0.02 0.00 0.02 0.00 0.00 55.97 54.65 2agw s LYS 120 Cb 0.00 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.83 2agw s LYS 120 CO 0.00 0.01 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.82 2agw s ASP 121 N -4.04 4.20 0.03 2.83 1.01 -1.26 -0.43 116.67 119.01 2agw s ASP 121 Ca 0.43 -0.18 0.05 0.00 0.71 0.00 0.00 52.55 53.57 2agw s ASP 121 Cb -0.05 -1.09 -0.02 0.00 1.01 0.00 0.00 42.92 42.77 2agw s ASP 121 CO 0.27 0.31 -0.16 -0.31 0.21 0.00 0.00 175.17 175.49 2agw s TYR 122 N -0.52 1.41 -0.04 4.23 1.51 -0.37 -4.54 117.35 119.03 2agw s TYR 122 Ca 0.07 -0.34 -0.30 0.00 -1.01 0.00 0.00 57.07 55.49 2agw s TYR 122 Cb -0.12 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.85 2agw s TYR 122 CO 0.02 0.04 1.09 -0.51 -1.11 0.00 0.00 175.55 175.08 2agw s LEU 123 N -1.02 4.30 -0.03 -1.29 1.43 0.18 -1.26 118.68 121.00 2agw s LEU 123 Ca 0.04 1.72 0.07 0.00 -1.03 0.00 0.00 54.13 54.93 2agw s LEU 123 Cb -0.08 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2agw s LEU 123 CO 0.01 -0.45 -0.23 -0.63 0.23 0.00 0.00 176.35 175.29 2agw s ILE 124 N 1.68 2.32 -0.19 -0.59 -1.09 0.16 -0.68 121.20 122.81 2agw s ILE 124 Ca 0.53 -1.01 -0.01 0.00 -2.23 0.00 0.00 60.65 57.93 2agw s ILE 124 Cb -0.23 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.83 2agw s ILE 124 CO 0.23 0.58 -0.13 -0.55 -1.23 0.00 0.00 174.94 173.84 2agw s SER 125 N -0.62 3.68 -0.98 3.58 0.15 0.48 -1.83 113.70 118.16 2agw s SER 125 Ca 0.10 -0.51 -0.11 0.00 0.70 0.00 0.00 55.95 56.12 2agw s SER 125 Cb -0.10 -1.59 0.25 0.00 -1.71 0.00 0.00 66.02 62.86 2agw s SER 125 CO -0.00 0.01 0.95 -0.31 1.20 0.00 0.00 173.24 175.09 2agw s TYR 126 N 1.25 4.04 0.28 3.44 1.51 -1.26 -1.09 117.35 125.52 2agw s TYR 126 Ca 0.03 -2.38 -0.19 0.00 -1.01 0.00 0.00 57.07 53.52 2agw s TYR 126 Cb -0.14 -3.82 -0.09 0.00 -0.11 0.00 0.00 41.96 37.80 2agw s TYR 126 CO -0.06 -0.97 0.77 -1.01 -1.11 0.00 0.00 175.55 173.17 2agw s HIS 127 N -0.61 3.54 0.33 2.71 3.76 -1.10 -4.67 115.29 119.25 2agw s HIS 127 Ca 0.25 1.39 0.03 0.00 -0.15 0.00 0.00 55.06 56.58 2agw s HIS 127 Cb -0.10 -2.64 -0.02 0.00 1.11 0.00 0.00 32.58 30.92 2agw s HIS 127 CO -0.08 0.21 0.51 -0.51 -0.85 0.00 0.00 174.74 174.01 2agw s ASP 128 N -1.89 6.17 -0.07 1.40 1.01 -1.26 -0.04 116.67 121.99 2agw s ASP 128 Ca 0.49 0.21 -0.01 0.00 0.71 0.00 0.00 52.55 53.95 2agw s ASP 128 Cb -0.14 -1.76 -0.03 0.00 1.01 0.00 0.00 42.92 41.99 2agw s ASP 128 CO 0.19 -0.33 -0.02 0.00 0.21 0.00 0.00 175.17 175.22 2agw n GLY 131 N -0.35 0.57 3.06 0.00 0.00 -0.01 -1.04 105.19 107.42 2agw n GLY 131 Ca -0.08 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 2agw n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2agw s LYS 132 N -0.78 0.52 0.96 1.61 1.02 -1.26 -4.91 119.74 116.90 2agw s LYS 132 Ca 0.00 -0.85 -0.12 0.00 0.02 0.00 0.00 55.97 55.02 2agw s LYS 132 Cb 0.00 -0.12 0.17 0.00 -0.52 0.00 0.00 37.83 37.36 2agw s LYS 132 CO 0.00 -0.00 1.10 0.95 -0.92 0.00 0.00 175.35 176.47 2agw s THR 133 N -1.98 2.24 0.10 2.17 -4.23 -1.26 -3.32 115.64 109.36 2agw s THR 133 Ca -0.07 0.08 -0.35 0.00 -1.18 0.00 0.00 61.69 60.17 2agw s THR 133 Cb -0.06 -2.60 -0.15 0.00 1.34 0.00 0.00 72.50 71.03 2agw s THR 133 CO -0.02 -0.10 1.54 0.00 -0.54 0.00 0.00 174.62 175.50 2agw n ALA 134 N -4.04 0.57 -0.23 3.99 0.00 -1.23 -4.57 120.51 115.01 2agw n ALA 134 Ca 0.06 0.45 -0.07 0.00 0.00 0.00 0.00 53.44 53.87 2agw n ALA 134 Cb 0.57 -2.28 0.03 0.00 0.00 0.00 0.00 19.45 17.77 2agw n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2agw n GLY 136 N -0.75 1.06 3.48 0.00 0.00 -1.26 -5.02 105.19 102.69 2agw n GLY 136 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2agw n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2agw s ARG 137 N -0.39 2.10 -1.23 1.61 0.52 -1.26 -4.76 118.95 115.55 2agw s ARG 137 Ca 0.00 -0.97 -0.07 0.00 -0.52 0.00 0.00 55.73 54.18 2agw s ARG 137 Cb 0.00 -2.22 -0.01 0.00 0.52 0.00 0.00 34.95 33.24 2agw s ARG 137 CO 0.00 0.54 0.73 0.00 0.02 0.00 0.00 175.30 176.59 2agw s GLN 139 N -5.82 4.35 0.12 0.00 0.74 -1.26 -1.50 119.66 116.30 2agw s GLN 139 Ca 0.19 2.00 0.07 0.00 0.05 0.00 0.00 55.36 57.67 2agw s GLN 139 Cb -0.05 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.75 2agw s GLN 139 CO 0.82 -0.39 -0.17 0.00 -0.55 0.00 0.00 175.29 175.00 2agw n ASN 141 N 0.72 -0.27 -4.89 0.00 5.15 -1.15 -1.31 115.26 113.52 2agw n ASN 141 Ca -0.17 -2.99 -0.31 0.00 -0.60 0.00 0.00 54.58 50.51 2agw n ASN 141 Cb 0.56 0.31 -0.05 0.00 -0.53 0.00 0.00 39.78 40.07 2agw n ASN 141 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2agw s THR 142 N -1.49 5.06 -0.01 -0.44 -4.23 -0.14 -4.95 115.64 109.44 2agw s THR 142 Ca 0.29 0.19 0.04 0.00 -1.18 0.00 0.00 61.69 61.02 2agw s THR 142 Cb 0.37 -3.64 0.06 0.00 1.34 0.00 0.00 72.50 70.63 2agw s THR 142 CO -0.04 -0.07 1.03 0.00 -0.54 0.00 0.00 174.62 174.99 2agw n GLN 143 N -0.19 0.08 -1.82 3.99 1.13 -1.06 -3.22 117.38 116.29 2agw n GLN 143 Ca -0.01 -1.20 -0.42 0.00 -1.94 0.00 0.00 57.00 53.43 2agw n GLN 143 Cb 0.52 -0.51 -0.03 0.00 0.11 0.00 0.00 30.24 30.34 2agw n GLN 143 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2agw s THR 144 N -0.17 3.04 -0.66 5.09 2.01 -0.44 -1.74 115.64 122.77 2agw s THR 144 Ca 0.05 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.34 2agw s THR 144 Cb 0.06 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.38 2agw s THR 144 CO -0.02 -0.01 0.00 0.54 -0.69 0.00 0.00 174.62 174.44 2agw n ARG 145 N 6.57 -1.57 -2.55 4.92 1.74 -1.26 -4.57 116.66 119.95 2agw n ARG 145 Ca 0.18 0.67 -0.40 0.00 -0.77 0.00 0.00 57.85 57.54 2agw n ARG 145 Cb 0.41 -4.96 -0.05 0.00 -1.02 0.00 0.00 32.46 26.84 2agw n ARG 145 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2agw s GLU 146 N -2.35 4.61 0.19 5.56 -6.30 -0.71 -5.00 118.70 114.71 2agw s GLU 146 Ca 0.00 1.69 0.05 0.00 -2.50 0.00 0.00 54.97 54.21 2agw s GLU 146 Cb 0.00 -3.10 -0.05 0.00 0.00 0.00 0.00 34.13 30.98 2agw s GLU 146 CO 0.00 0.22 -0.07 1.03 0.02 0.00 0.00 175.26 176.46 2agw s ARG 147 N -1.56 1.23 1.19 4.30 1.81 -0.91 -5.02 118.95 119.98 2agw s ARG 147 Ca 0.46 -1.57 -0.19 0.00 -1.72 0.00 0.00 55.73 52.70 2agw s ARG 147 Cb -0.29 -0.75 0.28 0.00 -0.45 0.00 0.00 34.95 33.74 2agw s ARG 147 CO 0.37 0.04 1.12 -2.14 -0.68 0.00 0.00 175.30 174.01 2agw s PRO 148 N -3.76 -1.13 0.26 3.54 0.02 -1.26 -3.66 135.00 129.01 2agw s PRO 148 Ca 0.22 -0.09 0.21 0.00 0.02 0.00 0.00 61.00 61.36 2agw s PRO 148 Cb 0.03 -1.61 0.99 0.00 0.02 0.00 0.00 34.50 33.93 2agw s PRO 148 CO 0.05 -3.64 1.63 0.41 -0.33 0.00 0.00 177.00 175.12 2agw n GLY 149 N -1.13 -1.03 0.00 0.52 0.00 -1.26 -0.72 105.19 101.58 2agw n GLY 149 Ca 0.13 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.39 2agw n GLY 149 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2agw n TYR 150 N -2.17 0.00 -3.49 1.61 0.18 -1.26 -3.12 117.16 108.92 2agw n TYR 150 Ca 0.00 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.51 2agw n TYR 150 Cb 0.12 -0.33 -0.08 0.00 -0.38 0.00 0.00 39.34 38.67 2agw n TYR 150 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2agw n GLU 151 N -1.33 2.46 -0.33 -3.48 1.02 0.11 -5.02 120.64 114.06 2agw n GLU 151 Ca 0.10 -4.65 -0.03 0.00 -0.02 0.00 0.00 57.16 52.55 2agw n GLU 151 Cb 0.20 -2.27 0.09 0.00 -0.02 0.00 0.00 31.44 29.44 2agw n GLU 151 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2agw h PHE 152 N 4.38 1.14 -0.03 -0.32 3.57 -1.70 -0.54 116.94 123.43 2agw h PHE 152 Ca 0.19 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2agw h PHE 152 Cb 0.67 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2agw h PHE 152 CO 0.72 0.73 0.00 1.19 -2.23 0.00 0.00 178.31 178.72 2agw n PHE 153 N -4.44 0.04 0.10 0.41 3.01 -1.26 -2.04 117.46 113.28 2agw n PHE 153 Ca 0.10 -0.02 0.11 0.00 1.01 0.00 0.00 57.45 58.64 2agw n PHE 153 Cb 0.02 0.00 0.22 0.00 -0.01 0.00 0.00 39.48 39.71 2agw n PHE 153 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2agw n LEU 154 N -0.55 3.42 -4.57 4.37 4.77 -0.21 -0.71 117.00 123.51 2agw n LEU 154 Ca 0.15 -1.64 -0.34 0.00 -0.03 0.00 0.00 56.01 54.15 2agw n LEU 154 Cb 0.13 -0.29 -0.11 0.00 -2.33 0.00 0.00 43.42 40.82 2agw n LEU 154 CO 0.12 0.78 -0.33 -2.28 -1.33 0.00 0.00 177.39 174.35 2agw s HIS 155 N -1.28 3.09 -0.15 -1.77 2.46 -0.86 -2.15 115.29 114.63 2agw s HIS 155 Ca 0.37 -0.09 0.07 0.00 0.47 0.00 0.00 55.06 55.88 2agw s HIS 155 Cb 0.21 -1.92 0.14 0.00 -0.13 0.00 0.00 32.58 30.88 2agw s HIS 155 CO 0.29 0.15 1.09 0.27 -2.47 0.00 0.00 174.74 174.07 2agw n ASN 156 N 3.10 2.30 -0.98 9.88 0.23 -1.26 -4.54 115.26 123.99 2agw n ASN 156 Ca -0.18 -2.33 0.08 0.00 -0.53 0.00 0.00 54.58 51.62 2agw n ASN 156 Cb 0.53 -0.16 0.23 0.00 -2.08 0.00 0.00 39.78 38.29 2agw n ASN 156 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2agw n ASP 157 N -0.62 2.84 -4.56 0.53 8.00 -1.26 -4.72 116.55 116.75 2agw n ASP 157 Ca 0.07 -2.08 -0.24 0.00 0.71 0.00 0.00 54.79 53.25 2agw n ASP 157 Cb 0.40 -0.37 -0.09 0.00 -0.02 0.00 0.00 41.12 41.05 2agw n ASP 157 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2agw s VAL 158 N -1.44 2.73 -0.50 2.53 -7.23 -1.26 -5.10 120.40 110.12 2agw s VAL 158 Ca 0.34 -2.15 -0.25 0.00 -1.81 0.00 0.00 61.98 58.11 2agw s VAL 158 Cb 0.19 -2.60 0.03 0.00 0.56 0.00 0.00 36.38 34.56 2agw s VAL 158 CO 0.21 -0.32 0.93 0.21 -0.31 0.00 0.00 175.10 175.82 2agw s ASN 159 N -3.61 6.42 0.00 4.85 2.47 -1.26 -4.90 114.94 118.90 2agw s ASN 159 Ca 0.32 -0.10 0.25 0.00 0.42 0.00 0.00 52.86 53.75 2agw s ASN 159 Cb -0.03 -2.44 1.48 0.00 -1.45 0.00 0.00 41.25 38.81 2agw s ASN 159 CO 0.17 -1.12 1.86 0.79 -3.72 0.00 0.00 177.10 175.09 2agw n TRP 160 N 7.28 0.00 1.89 0.43 7.02 -1.26 -1.09 117.44 131.71 2agw n TRP 160 Ca 0.04 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.59 2agw n TRP 160 Cb 0.48 -0.03 0.41 0.00 -2.42 0.00 0.00 31.31 29.75 2agw n TRP 160 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2agw h MET 162 N 0.28 0.00 -0.18 0.00 -0.00 -1.39 -1.72 114.93 111.91 2agw h MET 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2agw h MET 162 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.66 2agw h MET 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.91 2agw n ALA 163 N -2.09 2.27 -1.45 -3.00 0.00 -1.26 -4.92 120.51 110.06 2agw n ALA 163 Ca -0.03 -0.91 -0.31 0.00 0.00 0.00 0.00 53.44 52.19 2agw n ALA 163 Cb 0.12 -0.34 0.07 0.00 0.00 0.00 0.00 19.45 19.30 2agw n ALA 163 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2agw s ASN 164 N -0.91 4.85 0.32 0.00 0.01 -0.65 -4.94 114.94 113.62 2agw s ASN 164 Ca 0.16 1.62 0.05 0.00 -0.71 0.00 0.00 52.86 53.98 2agw s ASN 164 Cb 0.09 -2.41 0.69 0.00 0.41 0.00 0.00 41.25 40.03 2agw s ASN 164 CO 0.12 -1.78 1.86 -0.08 -1.51 0.00 0.00 177.10 175.71 2agw h GLU 165 N -0.95 0.82 -4.52 -0.60 4.81 -1.96 -3.35 114.58 108.83 2agw h GLU 165 Ca -0.45 -0.05 -0.56 0.00 -0.13 0.00 0.00 59.36 58.18 2agw h GLU 165 Cb 1.23 -0.18 -0.35 0.00 0.63 0.00 0.00 28.75 30.07 2agw h GLU 165 CO 0.55 0.54 -0.82 1.21 -0.73 0.00 0.00 179.01 179.76 2agw s ASN 166 N -5.75 2.27 0.00 1.04 3.84 -1.26 -5.03 114.94 110.05 2agw s ASN 166 Ca -0.11 -0.37 0.22 0.00 0.21 0.00 0.00 52.86 52.81 2agw s ASN 166 Cb 0.22 -0.97 0.93 0.00 -0.55 0.00 0.00 41.25 40.88 2agw s ASN 166 CO 0.80 -0.04 1.65 -1.54 -2.79 0.00 0.00 177.10 175.18 2agw n SER 167 N 4.47 1.18 -4.72 -4.21 3.41 -1.26 -3.42 113.62 109.07 2agw n SER 167 Ca -0.17 -1.58 -0.42 0.00 -0.26 0.00 0.00 58.87 56.44 2agw n SER 167 Cb 0.51 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 2agw n SER 167 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2agw s THR 168 N -1.88 2.83 -0.17 6.66 2.01 -1.26 -4.70 115.64 119.13 2agw s THR 168 Ca 0.33 0.61 -0.23 0.00 0.31 0.00 0.00 61.69 62.70 2agw s THR 168 Cb 0.17 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 2agw s THR 168 CO 0.27 0.05 0.74 0.12 -0.69 0.00 0.00 174.62 175.10 2agw s PHE 169 N 1.02 3.41 -0.23 4.92 5.36 -1.26 -0.82 117.98 130.38 2agw s PHE 169 Ca 0.67 1.11 -0.13 0.00 -0.96 0.00 0.00 56.93 57.63 2agw s PHE 169 Cb -0.41 -2.91 -0.10 0.00 -0.34 0.00 0.00 43.02 39.26 2agw s PHE 169 CO 0.32 -0.19 -0.31 1.58 -1.46 0.00 0.00 175.22 175.16 2agw n HIS 170 N 5.05 0.00 -3.85 10.12 -0.00 -0.31 -3.51 115.22 122.73 2agw n HIS 170 Ca 0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.67 2agw n HIS 170 Cb 0.49 -0.80 -0.01 0.00 -0.00 0.00 0.00 29.99 29.67 2agw n HIS 170 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2agw s THR 172 N -3.69 1.17 0.21 0.00 2.01 0.11 -0.77 115.64 114.69 2agw s THR 172 Ca 0.12 -0.57 0.06 0.00 0.31 0.00 0.00 61.69 61.61 2agw s THR 172 Cb -0.06 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 2agw s THR 172 CO 0.07 0.35 0.15 0.42 -0.69 0.00 0.00 174.62 174.91 2agw s THR 173 N 0.14 4.34 -0.29 -0.82 -4.23 0.94 -1.40 115.64 114.32 2agw s THR 173 Ca -0.04 -1.32 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 2agw s THR 173 Cb -0.11 -3.28 0.08 0.00 1.34 0.00 0.00 72.50 70.53 2agw s THR 173 CO 0.02 -0.24 0.03 -0.44 -0.54 0.00 0.00 174.62 173.45 2agw s SER 174 N -3.48 4.10 -0.19 3.99 0.01 -1.21 -2.70 113.70 114.21 2agw s SER 174 Ca 0.32 -1.58 -0.05 0.00 1.31 0.00 0.00 55.95 55.95 2agw s SER 174 Cb -0.09 -1.15 -0.02 0.00 0.21 0.00 0.00 66.02 64.97 2agw s SER 174 CO 0.24 -0.34 -0.01 -0.69 0.41 0.00 0.00 173.24 172.84 2agw s VAL 175 N 1.37 3.89 -0.25 3.43 1.01 -0.25 -4.75 120.40 124.85 2agw s VAL 175 Ca 0.04 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 2agw s VAL 175 Cb -0.18 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.45 2agw s VAL 175 CO -0.14 0.44 1.16 -0.22 0.00 0.00 0.00 175.10 176.34 2agw s LEU 176 N 0.93 4.04 -0.18 3.92 0.20 -1.26 -0.39 118.68 125.93 2agw s LEU 176 Ca 0.01 1.36 -0.17 0.00 0.69 0.00 0.00 54.13 56.02 2agw s LEU 176 Cb -0.14 -3.54 -0.13 0.00 -0.43 0.00 0.00 46.19 41.95 2agw s LEU 176 CO 0.02 -0.82 0.06 0.58 -0.29 0.00 0.00 176.35 175.90 2agw h VAL 177 N 5.63 0.56 0.00 1.68 2.07 -1.26 -3.48 116.25 121.44 2agw h VAL 177 Ca -0.23 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2agw h VAL 177 Cb 1.08 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2agw h VAL 177 CO 1.00 0.19 0.00 0.61 0.02 0.00 0.00 177.57 179.39 2agw n GLY 178 N 1.51 -1.27 0.00 2.17 0.00 -1.17 -4.99 105.19 101.43 2agw n GLY 178 Ca -0.22 -0.97 0.01 0.00 0.00 0.00 0.00 46.02 44.84 2agw n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36