#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hjb h VAL 72 N 0.00 0.00 -0.00 3.84 -1.51 -2.01 -2.14 116.25 114.42 2hjb h VAL 72 Ca 0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 2hjb h VAL 72 Cb 0.00 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 2hjb h VAL 72 CO 0.00 0.00 -0.03 0.59 -1.23 0.00 0.00 177.57 176.90 2hjb n ASN 73 N -2.62 0.38 -4.82 4.19 3.02 -1.26 -4.82 115.26 109.33 2hjb n ASN 73 Ca 0.01 -0.83 -0.38 0.00 -0.03 0.00 0.00 54.58 53.35 2hjb n ASN 73 Cb 0.23 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 2hjb n ASN 73 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2hjb s SER 74 N -2.23 7.01 0.50 6.41 0.15 -0.80 -4.96 113.70 119.77 2hjb s SER 74 Ca 0.38 1.20 0.24 0.00 0.70 0.00 0.00 55.95 58.47 2hjb s SER 74 Cb 0.21 -2.34 1.31 0.00 -1.71 0.00 0.00 66.02 63.49 2hjb s SER 74 CO 0.41 0.28 2.03 0.00 1.20 0.00 0.00 173.24 177.17 2hjb n ASP 76 N -3.78 0.00 -4.71 0.00 8.00 -1.26 -4.74 116.55 110.05 2hjb n ASP 76 Ca -0.02 0.17 -0.43 0.00 0.71 0.00 0.00 54.79 55.22 2hjb n ASP 76 Cb 0.26 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 2hjb n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hjb n TYR 77 N -1.37 2.54 0.12 1.24 4.19 -0.81 -4.86 117.16 118.21 2hjb n TYR 77 Ca 0.09 0.36 0.03 0.00 3.31 0.00 0.00 57.90 61.69 2hjb n TYR 77 Cb 0.21 -2.52 0.42 0.00 0.49 0.00 0.00 39.34 37.93 2hjb n TYR 77 CO 0.00 0.00 0.00 0.11 0.91 0.00 0.00 176.86 177.88 2hjb h TRP 78 N 4.28 0.25 0.00 2.98 5.08 -1.89 -0.81 115.95 125.84 2hjb h TRP 78 Ca -0.46 -0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.49 2hjb h TRP 78 Cb 1.25 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 2hjb h TRP 78 CO 0.57 0.32 0.00 0.00 -1.28 0.00 0.00 178.44 178.05 2hjb h ARG 79 N 0.24 0.00 -0.93 0.12 3.08 -1.89 -3.18 114.38 111.81 2hjb h ARG 79 Ca 0.05 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.90 2hjb h ARG 79 Cb 0.28 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.21 2hjb h ARG 79 CO 0.01 0.00 0.25 0.72 -1.07 0.00 0.00 179.97 179.89 2hjb n HIS 80 N -3.00 1.53 0.37 3.04 8.25 -0.31 -4.59 115.22 120.52 2hjb n HIS 80 Ca 0.01 -0.99 0.14 0.00 -0.26 0.00 0.00 57.72 56.62 2hjb n HIS 80 Cb 0.29 -0.54 0.52 0.00 1.12 0.00 0.00 29.99 31.37 2hjb n HIS 80 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hjb n ALA 82 N -1.91 3.49 -2.69 0.00 0.00 -1.26 -1.51 120.51 116.63 2hjb n ALA 82 Ca 0.02 -3.09 -0.40 0.00 0.00 0.00 0.00 53.44 49.97 2hjb n ALA 82 Cb 0.31 -0.54 -0.05 0.00 0.00 0.00 0.00 19.45 19.17 2hjb n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hjb s VAL 83 N -2.94 4.99 -0.45 0.00 1.01 -1.13 -4.86 120.40 117.01 2hjb s VAL 83 Ca 0.38 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.83 2hjb s VAL 83 Cb 0.37 -4.05 0.12 0.00 0.00 0.00 0.00 36.38 32.83 2hjb s VAL 83 CO -0.06 0.14 0.20 -0.62 0.00 0.00 0.00 175.10 174.76 2hjb s ASP 84 N 1.02 4.29 0.00 3.32 2.15 -1.25 -1.14 116.67 125.06 2hjb s ASP 84 Ca 0.35 -2.67 0.00 0.00 0.43 0.00 0.00 52.55 50.67 2hjb s ASP 84 Cb -0.17 -1.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.96 2hjb s ASP 84 CO 0.14 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 2hjb n GLY 85 N 3.55 -0.62 3.73 2.66 0.00 -0.18 -5.00 105.19 109.32 2hjb n GLY 85 Ca 0.05 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 2hjb n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hjb s PHE 86 N -3.00 3.39 -0.00 1.61 0.40 -1.26 0.10 117.98 119.21 2hjb s PHE 86 Ca 0.00 0.29 -0.30 0.00 -0.60 0.00 0.00 56.93 56.31 2hjb s PHE 86 Cb 0.00 -2.09 -0.06 0.00 0.51 0.00 0.00 43.02 41.39 2hjb s PHE 86 CO 0.00 0.33 1.45 -0.51 0.70 0.00 0.00 175.22 177.20 2hjb s LEU 87 N 0.09 4.32 0.57 -0.37 1.43 -0.71 -0.06 118.68 123.95 2hjb s LEU 87 Ca 0.08 2.15 0.27 0.00 -1.03 0.00 0.00 54.13 55.61 2hjb s LEU 87 Cb -0.12 -3.56 1.71 0.00 0.03 0.00 0.00 46.19 44.26 2hjb s LEU 87 CO -0.00 -0.77 2.23 0.00 0.23 0.00 0.00 176.35 178.04 2hjb h SER 89 N 0.00 0.00 0.01 0.00 4.64 -1.71 0.10 113.55 116.59 2hjb h SER 89 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hjb h SER 89 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2hjb h SER 89 CO 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 176.83 175.86 2hjb n GLY 92 N -0.92 0.74 0.00 0.00 0.00 -1.19 -4.68 105.19 99.15 2hjb n GLY 92 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2hjb n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hjb n GLY 93 N -2.17 4.50 3.29 -0.02 0.00 -0.34 -4.45 105.19 106.00 2hjb n GLY 93 Ca 0.00 -1.95 -0.17 0.00 0.00 0.00 0.00 46.02 43.90 2hjb n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hjb s THR 94 N 1.91 0.14 0.56 2.61 -4.23 -0.93 -4.11 115.64 111.60 2hjb s THR 94 Ca 0.00 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 58.85 2hjb s THR 94 Cb 0.00 -2.50 0.49 0.00 1.34 0.00 0.00 72.50 71.83 2hjb s THR 94 CO 0.00 0.00 1.77 0.71 -0.54 0.00 0.00 174.62 176.56 2hjb h THR 95 N 2.29 0.34 0.00 3.99 1.35 -1.92 -2.47 112.91 116.49 2hjb h THR 95 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2hjb h THR 95 Cb 1.24 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2hjb h THR 95 CO 0.47 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.09 2hjb n THR 96 N -3.94 0.64 -4.25 6.82 -2.24 -1.26 -0.41 114.28 109.64 2hjb n THR 96 Ca 0.21 -0.67 -0.17 0.00 -2.27 0.00 0.00 64.05 61.15 2hjb n THR 96 Cb 1.14 0.71 -0.13 0.00 -2.10 0.00 0.00 70.33 69.95 2hjb n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2hjb s THR 97 N -0.64 0.81 0.32 4.28 -4.23 -0.93 -5.02 115.64 110.23 2hjb s THR 97 Ca 0.00 -0.82 -0.27 0.00 -1.18 0.00 0.00 61.69 59.42 2hjb s THR 97 Cb 0.00 -0.75 -0.09 0.00 1.34 0.00 0.00 72.50 72.99 2hjb s THR 97 CO 0.00 -0.05 1.01 0.00 -0.54 0.00 0.00 174.62 175.03 2hjb n PRO 99 N 0.70 -0.21 -1.61 0.00 -0.02 -1.26 -4.66 135.00 127.94 2hjb n PRO 99 Ca 0.01 -0.00 -0.50 0.00 -2.02 0.00 0.00 63.50 60.99 2hjb n PRO 99 Cb 0.48 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 2hjb n PRO 99 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2hjb n PRO 100 N -2.61 1.38 -0.97 0.52 -0.02 -1.26 -2.31 135.00 129.72 2hjb n PRO 100 Ca 0.10 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2hjb n PRO 100 Cb 0.52 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2hjb n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hjb n GLY 101 N 2.57 0.55 3.51 -1.23 0.00 -1.26 -5.02 105.19 104.31 2hjb n GLY 101 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2hjb n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hjb s SER 102 N -2.07 4.15 -0.16 1.61 1.04 -0.98 -4.64 113.70 112.65 2hjb s SER 102 Ca 0.00 -0.24 -0.06 0.00 0.48 0.00 0.00 55.95 56.14 2hjb s SER 102 Cb 0.00 -0.86 -0.03 0.00 0.10 0.00 0.00 66.02 65.23 2hjb s SER 102 CO 0.00 0.30 0.02 -0.89 0.98 0.00 0.00 173.24 173.65 2hjb s THR 103 N -0.86 4.39 0.36 2.02 2.01 0.48 -4.74 115.64 119.30 2hjb s THR 103 Ca 0.14 -0.18 -0.28 0.00 0.31 0.00 0.00 61.69 61.68 2hjb s THR 103 Cb -0.11 -2.95 -0.10 0.00 0.01 0.00 0.00 72.50 69.35 2hjb s THR 103 CO 0.04 0.48 1.39 -2.84 -0.69 0.00 0.00 174.62 173.00 2hjb s PRO 104 N 0.28 4.19 0.21 4.92 0.02 -1.26 0.99 135.00 144.35 2hjb s PRO 104 Ca 0.01 2.37 -0.30 0.00 0.02 0.00 0.00 61.00 63.10 2hjb s PRO 104 Cb -0.13 -2.98 -0.08 0.00 0.02 0.00 0.00 34.50 31.33 2hjb s PRO 104 CO 0.01 -0.39 1.05 -1.54 -0.33 0.00 0.00 177.00 175.80 2hjb s SER 105 N -0.36 7.38 0.41 2.53 1.04 0.95 -4.87 113.70 120.78 2hjb s SER 105 Ca 0.52 2.07 0.22 0.00 0.48 0.00 0.00 55.95 59.24 2hjb s SER 105 Cb -0.43 -2.61 0.70 0.00 0.10 0.00 0.00 66.02 63.78 2hjb s SER 105 CO 0.57 -0.09 1.73 1.55 0.98 0.00 0.00 173.24 177.98 2hjb h PRO 106 N 4.59 0.00 -5.93 4.02 0.13 -1.90 -3.44 132.00 129.47 2hjb h PRO 106 Ca -0.45 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 2hjb h PRO 106 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 2hjb h PRO 106 CO 0.70 0.26 -0.48 0.96 -0.23 0.00 0.00 178.00 179.21 2hjb s ILE 107 N -3.46 2.33 0.00 -3.56 -4.36 -1.26 -5.13 121.20 105.76 2hjb s ILE 107 Ca 0.02 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 58.76 2hjb s ILE 107 Cb 0.09 -2.98 0.00 0.00 1.25 0.00 0.00 42.46 40.83 2hjb s ILE 107 CO 0.66 0.00 0.00 -1.54 0.24 0.00 0.00 174.94 174.30 2hjb n SER 108 N -1.29 0.80 -3.62 4.36 3.41 -1.26 -4.58 113.62 111.44 2hjb n SER 108 Ca -0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.45 2hjb n SER 108 Cb 0.64 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.52 2hjb n SER 108 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2hjb s ILE 110 N 1.16 0.00 0.12 -1.33 1.01 0.81 -4.87 121.20 118.10 2hjb s ILE 110 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.71 2hjb s ILE 110 Cb 0.00 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 2hjb s ILE 110 CO 0.00 -0.01 -0.13 -0.83 0.00 0.00 0.00 174.94 173.97 2hjb s GLY 111 N -0.13 1.75 -0.33 6.18 0.00 0.58 -4.54 107.32 110.82 2hjb s GLY 111 Ca -0.04 -1.31 -0.02 0.00 0.00 0.00 0.00 44.72 43.35 2hjb s GLY 111 CO 0.03 -1.30 0.06 -1.59 0.00 0.00 0.00 173.10 170.31 2hjb s THR 112 N -1.25 3.03 -0.03 0.90 2.01 -1.26 -0.14 115.64 118.91 2hjb s THR 112 Ca 0.20 -1.64 0.07 0.00 0.31 0.00 0.00 61.69 60.64 2hjb s THR 112 Cb -0.11 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 2hjb s THR 112 CO 0.13 -0.31 -0.24 0.00 -0.69 0.00 0.00 174.62 173.51 2hjb s HIS 114 N -0.63 3.47 -0.37 0.00 2.46 -1.26 -0.47 115.29 118.48 2hjb s HIS 114 Ca 0.10 1.44 -0.27 0.00 0.47 0.00 0.00 55.06 56.81 2hjb s HIS 114 Cb -0.10 -3.12 0.02 0.00 -0.13 0.00 0.00 32.58 29.25 2hjb s HIS 114 CO -0.01 -0.24 0.98 1.21 -2.47 0.00 0.00 174.74 174.22 2hjb s ASN 115 N 1.12 6.73 0.40 9.88 3.84 0.39 -4.87 114.94 132.43 2hjb s ASN 115 Ca 0.44 0.68 0.28 0.00 0.21 0.00 0.00 52.86 54.47 2hjb s ASN 115 Cb -0.17 -2.49 1.02 0.00 -0.55 0.00 0.00 41.25 39.06 2hjb s ASN 115 CO 0.15 -0.90 1.82 1.55 -2.79 0.00 0.00 177.10 176.92 2hjb h PRO 116 N 8.46 0.00 0.01 0.43 0.13 -1.95 -0.73 132.00 138.35 2hjb h PRO 116 Ca -0.22 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2hjb h PRO 116 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2hjb h PRO 116 CO 1.01 0.00 -0.00 0.45 -0.23 0.00 0.00 178.00 179.23 2hjb h HIS 117 N 0.00 -0.01 -0.03 1.56 3.86 -1.95 -3.35 115.15 115.24 2hjb h HIS 117 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2hjb h HIS 117 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2hjb h HIS 117 CO 0.00 0.76 -0.10 -0.40 0.86 0.00 0.00 177.93 179.05 2hjb n ASP 118 N -4.72 2.67 -0.80 2.45 3.85 -1.23 -4.97 116.55 113.80 2hjb n ASP 118 Ca -0.09 -1.84 -0.10 0.00 -0.71 0.00 0.00 54.79 52.05 2hjb n ASP 118 Cb 0.38 0.10 -0.04 0.00 -1.35 0.00 0.00 41.12 40.21 2hjb n ASP 118 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2hjb n GLY 119 N 1.29 1.18 3.57 6.12 0.00 -0.29 -5.01 105.19 112.04 2hjb n GLY 119 Ca 0.12 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 2hjb n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hjb s LYS 120 N -2.87 2.03 -0.18 1.61 1.02 -1.13 -4.88 119.74 115.33 2hjb s LYS 120 Ca 0.00 -1.55 -0.06 0.00 0.02 0.00 0.00 55.97 54.38 2hjb s LYS 120 Cb 0.00 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 2hjb s LYS 120 CO 0.00 0.35 0.03 -0.51 -0.92 0.00 0.00 175.35 174.30 2hjb s ASP 121 N -3.56 5.30 0.06 2.83 -0.00 -1.26 0.15 116.67 120.18 2hjb s ASP 121 Ca 0.30 -0.02 0.09 0.00 -0.00 0.00 0.00 52.55 52.93 2hjb s ASP 121 Cb -0.06 -1.90 -0.03 0.00 -0.00 0.00 0.00 42.92 40.93 2hjb s ASP 121 CO 0.18 0.16 -0.26 -0.31 -0.00 0.00 0.00 175.17 174.93 2hjb s TYR 122 N 0.47 2.29 -0.09 4.23 1.51 0.38 0.30 117.35 126.44 2hjb s TYR 122 Ca 0.01 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 2hjb s TYR 122 Cb -0.13 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 2hjb s TYR 122 CO 0.01 0.15 1.09 -0.51 -1.11 0.00 0.00 175.55 175.19 2hjb s LEU 123 N -1.35 4.26 -0.13 -1.29 1.43 0.72 -0.98 118.68 121.33 2hjb s LEU 123 Ca 0.12 1.65 0.01 0.00 -1.03 0.00 0.00 54.13 54.88 2hjb s LEU 123 Cb -0.10 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 2hjb s LEU 123 CO 0.03 -0.52 -0.16 -0.63 0.23 0.00 0.00 176.35 175.30 2hjb s ILE 124 N 2.14 2.69 -0.15 -0.59 -1.09 0.81 -0.52 121.20 124.48 2hjb s ILE 124 Ca 0.52 -0.78 -0.17 0.00 -2.23 0.00 0.00 60.65 57.99 2hjb s ILE 124 Cb -0.21 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.52 2hjb s ILE 124 CO 0.19 0.53 0.43 -0.55 -1.23 0.00 0.00 174.94 174.31 2hjb s SER 125 N 0.54 6.57 -0.96 3.58 0.15 0.88 -0.31 113.70 124.15 2hjb s SER 125 Ca -0.10 0.67 -0.02 0.00 0.70 0.00 0.00 55.95 57.20 2hjb s SER 125 Cb -0.16 -2.26 0.29 0.00 -1.71 0.00 0.00 66.02 62.18 2hjb s SER 125 CO 0.04 -0.02 1.23 -1.22 1.20 0.00 0.00 173.24 174.47 2hjb n TYR 126 N 3.97 2.95 -2.36 3.44 4.02 -1.26 -1.48 117.16 126.43 2hjb n TYR 126 Ca -0.08 -3.17 -0.42 0.00 -0.01 0.00 0.00 57.90 54.22 2hjb n TYR 126 Cb 0.51 -1.11 -0.03 0.00 -0.02 0.00 0.00 39.34 38.69 2hjb n TYR 126 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2hjb s HIS 127 N -2.51 2.99 0.55 -0.72 3.76 -1.24 -4.75 115.29 113.36 2hjb s HIS 127 Ca 0.33 1.02 -0.14 0.00 -0.15 0.00 0.00 55.06 56.12 2hjb s HIS 127 Cb 0.05 -3.53 -0.06 0.00 1.11 0.00 0.00 32.58 30.15 2hjb s HIS 127 CO 0.05 -1.82 0.99 -0.51 -0.85 0.00 0.00 174.74 172.59 2hjb s ASP 128 N 1.75 6.44 -0.13 1.40 1.01 -1.26 -1.02 116.67 124.86 2hjb s ASP 128 Ca 0.59 1.46 -0.05 0.00 0.71 0.00 0.00 52.55 55.26 2hjb s ASP 128 Cb -0.27 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 2hjb s ASP 128 CO 0.22 -0.69 0.04 0.00 0.21 0.00 0.00 175.17 174.95 2hjb n GLY 131 N -0.42 0.57 3.14 0.00 0.00 -0.05 -0.39 105.19 108.05 2hjb n GLY 131 Ca -0.05 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 2hjb n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hjb s LYS 132 N -0.29 0.74 1.04 1.61 1.02 -1.26 -4.92 119.74 117.69 2hjb s LYS 132 Ca 0.00 -0.91 -0.12 0.00 0.02 0.00 0.00 55.97 54.96 2hjb s LYS 132 Cb 0.00 -0.67 0.21 0.00 -0.52 0.00 0.00 37.83 36.85 2hjb s LYS 132 CO 0.00 0.14 1.07 0.95 -0.92 0.00 0.00 175.35 176.59 2hjb s THR 133 N -1.35 2.13 0.09 2.17 -4.23 -1.26 -3.39 115.64 109.80 2hjb s THR 133 Ca -0.04 0.04 -0.35 0.00 -1.18 0.00 0.00 61.69 60.16 2hjb s THR 133 Cb -0.10 -2.36 -0.14 0.00 1.34 0.00 0.00 72.50 71.24 2hjb s THR 133 CO 0.02 -0.05 1.57 0.00 -0.54 0.00 0.00 174.62 175.61 2hjb n ALA 134 N -4.41 0.69 -0.25 3.99 0.00 -1.19 -4.58 120.51 114.76 2hjb n ALA 134 Ca 0.05 0.44 -0.06 0.00 0.00 0.00 0.00 53.44 53.87 2hjb n ALA 134 Cb 0.56 -2.30 0.05 0.00 0.00 0.00 0.00 19.45 17.75 2hjb n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hjb n GLY 136 N -1.00 0.68 3.44 0.00 0.00 -1.26 -5.02 105.19 102.04 2hjb n GLY 136 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2hjb n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hjb s ARG 137 N -0.10 2.15 -1.14 1.61 0.52 -1.26 -4.70 118.95 116.03 2hjb s ARG 137 Ca 0.00 -0.92 -0.21 0.00 -0.52 0.00 0.00 55.73 54.07 2hjb s ARG 137 Cb 0.00 -2.20 -0.01 0.00 0.52 0.00 0.00 34.95 33.26 2hjb s ARG 137 CO 0.00 0.56 0.79 0.00 0.02 0.00 0.00 175.30 176.67 2hjb s GLN 139 N -6.04 4.35 0.11 0.00 0.74 -1.26 -1.73 119.66 115.82 2hjb s GLN 139 Ca 0.47 1.79 0.09 0.00 0.05 0.00 0.00 55.36 57.76 2hjb s GLN 139 Cb -0.17 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.40 2hjb s GLN 139 CO 0.87 -0.44 -0.23 0.00 -0.55 0.00 0.00 175.29 174.94 2hjb s ASN 141 N -1.91 2.02 0.01 0.00 3.04 -1.19 -1.01 114.94 115.91 2hjb s ASN 141 Ca 0.09 -1.31 0.05 0.00 0.04 0.00 0.00 52.86 51.73 2hjb s ASN 141 Cb -0.10 0.25 -0.02 0.00 -1.54 0.00 0.00 41.25 39.84 2hjb s ASN 141 CO 0.05 -0.35 -0.14 -0.89 -3.04 0.00 0.00 177.10 172.73 2hjb s THR 142 N 1.85 1.14 -0.05 -5.21 2.01 -0.29 -5.01 115.64 110.08 2hjb s THR 142 Ca 0.13 -0.80 0.09 0.00 0.31 0.00 0.00 61.69 61.42 2hjb s THR 142 Cb -0.16 -0.98 0.15 0.00 0.01 0.00 0.00 72.50 71.51 2hjb s THR 142 CO -0.20 0.18 1.07 0.00 -0.69 0.00 0.00 174.62 174.98 2hjb n GLN 143 N 2.34 0.43 -1.64 4.92 1.13 -1.08 -3.45 117.38 120.02 2hjb n GLN 143 Ca -0.16 -1.66 -0.45 0.00 -1.94 0.00 0.00 57.00 52.79 2hjb n GLN 143 Cb 0.55 -0.77 -0.04 0.00 0.11 0.00 0.00 30.24 30.09 2hjb n GLN 143 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2hjb n THR 144 N -0.39 0.59 -1.27 5.09 -1.04 -0.57 -2.19 114.28 114.51 2hjb n THR 144 Ca 0.06 -0.20 -0.09 0.00 -2.04 0.00 0.00 64.05 61.78 2hjb n THR 144 Cb 0.73 -2.17 -0.04 0.00 -1.82 0.00 0.00 70.33 67.03 2hjb n THR 144 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2hjb n ARG 145 N 7.53 -1.57 -2.75 -2.82 1.74 -1.26 -4.57 116.66 112.97 2hjb n ARG 145 Ca 0.24 0.80 -0.37 0.00 -0.77 0.00 0.00 57.85 57.75 2hjb n ARG 145 Cb 0.36 -5.13 -0.06 0.00 -1.02 0.00 0.00 32.46 26.62 2hjb n ARG 145 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2hjb s GLU 146 N -2.68 4.54 0.09 5.56 -6.30 -0.93 -4.91 118.70 114.07 2hjb s GLU 146 Ca 0.00 1.36 0.02 0.00 -2.50 0.00 0.00 54.97 53.85 2hjb s GLU 146 Cb 0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 34.13 31.31 2hjb s GLU 146 CO 0.00 0.23 -0.08 1.03 0.02 0.00 0.00 175.26 176.47 2hjb s ARG 147 N -2.09 0.78 1.15 4.30 1.81 -0.82 -5.02 118.95 119.07 2hjb s ARG 147 Ca 0.51 -1.20 -0.19 0.00 -1.72 0.00 0.00 55.73 53.13 2hjb s ARG 147 Cb -0.19 -0.29 0.29 0.00 -0.45 0.00 0.00 34.95 34.31 2hjb s ARG 147 CO 0.25 0.02 0.82 -2.30 -0.68 0.00 0.00 175.30 173.40 2hjb n PRO 148 N 0.35 -3.73 0.24 3.54 -0.02 -1.26 -3.39 135.00 130.73 2hjb n PRO 148 Ca -0.15 -1.34 0.16 0.00 -2.02 0.00 0.00 63.50 60.16 2hjb n PRO 148 Cb 0.59 -1.50 0.82 0.00 -0.02 0.00 0.00 33.50 33.38 2hjb n PRO 148 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2hjb h GLY 149 N -2.84 0.00 1.80 -1.23 0.00 -1.97 -0.39 103.07 98.44 2hjb h GLY 149 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2hjb h GLY 149 CO 0.21 0.00 0.00 1.58 0.00 0.00 0.00 176.54 178.33 2hjb n TYR 150 N -2.69 0.00 -3.64 5.60 0.18 -1.26 -2.93 117.16 112.42 2hjb n TYR 150 Ca -0.01 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.49 2hjb n TYR 150 Cb 0.12 -0.40 -0.10 0.00 -0.38 0.00 0.00 39.34 38.58 2hjb n TYR 150 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2hjb n GLU 151 N -1.40 2.18 -0.20 -3.48 1.02 -0.16 -5.01 120.64 113.60 2hjb n GLU 151 Ca 0.09 -4.57 -0.08 0.00 -0.02 0.00 0.00 57.16 52.58 2hjb n GLU 151 Cb 0.25 -2.26 0.06 0.00 -0.02 0.00 0.00 31.44 29.47 2hjb n GLU 151 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2hjb h PHE 152 N 4.73 1.12 -0.18 -0.32 3.57 -1.67 -1.47 116.94 122.72 2hjb h PHE 152 Ca 0.18 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2hjb h PHE 152 Cb 0.71 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2hjb h PHE 152 CO 0.70 0.98 0.00 1.19 -2.23 0.00 0.00 178.31 178.95 2hjb n PHE 153 N -4.19 0.24 0.13 0.41 3.01 -1.26 -2.17 117.46 113.63 2hjb n PHE 153 Ca 0.03 -0.12 0.05 0.00 1.01 0.00 0.00 57.45 58.42 2hjb n PHE 153 Cb 0.33 -0.00 0.09 0.00 -0.01 0.00 0.00 39.48 39.89 2hjb n PHE 153 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2hjb n LEU 154 N 0.02 2.35 -4.66 4.37 4.77 -0.56 -0.14 117.00 123.15 2hjb n LEU 154 Ca 0.06 -1.51 -0.35 0.00 -0.03 0.00 0.00 56.01 54.19 2hjb n LEU 154 Cb 0.15 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 2hjb n LEU 154 CO 0.04 0.53 -0.25 -2.28 -1.33 0.00 0.00 177.39 174.11 2hjb s HIS 155 N -0.92 3.27 -0.17 -1.77 2.46 -0.92 -1.95 115.29 115.29 2hjb s HIS 155 Ca 0.16 0.12 0.13 0.00 0.47 0.00 0.00 55.06 55.94 2hjb s HIS 155 Cb 0.10 -2.05 0.27 0.00 -0.13 0.00 0.00 32.58 30.76 2hjb s HIS 155 CO 0.13 0.22 1.17 0.27 -2.47 0.00 0.00 174.74 174.06 2hjb n ASN 156 N 3.34 2.60 -1.49 9.88 0.23 -1.26 -4.58 115.26 123.98 2hjb n ASN 156 Ca -0.17 -2.73 0.08 0.00 -0.53 0.00 0.00 54.58 51.23 2hjb n ASN 156 Cb 0.52 -0.33 0.32 0.00 -2.08 0.00 0.00 39.78 38.22 2hjb n ASN 156 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2hjb n ASP 157 N -0.88 4.40 -4.49 0.53 8.00 -1.26 -4.71 116.55 118.14 2hjb n ASP 157 Ca 0.13 -2.45 -0.24 0.00 0.71 0.00 0.00 54.79 52.93 2hjb n ASP 157 Cb 0.58 -0.56 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 2hjb n ASP 157 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2hjb s VAL 158 N -1.92 2.45 -0.53 2.53 -7.23 -1.26 -5.10 120.40 109.35 2hjb s VAL 158 Ca 0.46 -2.35 -0.26 0.00 -1.81 0.00 0.00 61.98 58.02 2hjb s VAL 158 Cb 0.30 -2.39 0.03 0.00 0.56 0.00 0.00 36.38 34.89 2hjb s VAL 158 CO 0.21 -0.36 1.00 0.21 -0.31 0.00 0.00 175.10 175.85 2hjb s ASN 159 N -3.54 6.42 0.00 4.85 2.47 -1.26 -4.91 114.94 118.97 2hjb s ASN 159 Ca 0.31 -0.10 0.23 0.00 0.42 0.00 0.00 52.86 53.72 2hjb s ASN 159 Cb -0.03 -2.47 1.26 0.00 -1.45 0.00 0.00 41.25 38.55 2hjb s ASN 159 CO 0.15 -1.24 1.73 0.79 -3.72 0.00 0.00 177.10 174.82 2hjb n TRP 160 N 7.62 0.00 1.51 0.43 7.02 -1.26 -1.01 117.44 131.76 2hjb n TRP 160 Ca 0.05 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.62 2hjb n TRP 160 Cb 0.48 -0.14 0.56 0.00 -2.42 0.00 0.00 31.31 29.80 2hjb n TRP 160 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2hjb h MET 162 N 0.00 0.00 -0.18 0.00 -0.00 -1.34 -0.62 114.93 112.80 2hjb h MET 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2hjb h MET 162 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2hjb h MET 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.91 2hjb n ALA 163 N -2.24 2.36 -1.48 -3.00 0.00 -1.26 -4.92 120.51 109.97 2hjb n ALA 163 Ca -0.01 -0.84 -0.32 0.00 0.00 0.00 0.00 53.44 52.27 2hjb n ALA 163 Cb 0.21 -0.46 0.05 0.00 0.00 0.00 0.00 19.45 19.25 2hjb n ALA 163 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2hjb s ASN 164 N -1.03 5.12 0.29 0.00 0.01 -0.24 -4.93 114.94 114.16 2hjb s ASN 164 Ca 0.20 1.84 0.04 0.00 -0.71 0.00 0.00 52.86 54.22 2hjb s ASN 164 Cb 0.12 -2.53 0.71 0.00 0.41 0.00 0.00 41.25 39.96 2hjb s ASN 164 CO 0.17 -1.62 1.73 -0.08 -1.51 0.00 0.00 177.10 175.79 2hjb h GLU 165 N -0.38 0.53 -4.78 -0.60 4.81 -1.95 -3.35 114.58 108.86 2hjb h GLU 165 Ca -0.45 -0.03 -0.59 0.00 -0.13 0.00 0.00 59.36 58.16 2hjb h GLU 165 Cb 1.23 -0.12 -0.34 0.00 0.63 0.00 0.00 28.75 30.15 2hjb h GLU 165 CO 0.54 0.35 -0.84 1.21 -0.73 0.00 0.00 179.01 179.55 2hjb s ASN 166 N -5.28 2.46 0.00 1.04 3.84 -1.26 -5.04 114.94 110.70 2hjb s ASN 166 Ca -0.11 -0.43 0.28 0.00 0.21 0.00 0.00 52.86 52.80 2hjb s ASN 166 Cb 0.25 -1.10 0.99 0.00 -0.55 0.00 0.00 41.25 40.83 2hjb s ASN 166 CO 0.79 0.03 1.71 -1.54 -2.79 0.00 0.00 177.10 175.29 2hjb n SER 167 N 4.13 0.76 -4.67 -4.21 3.41 -1.26 -3.37 113.62 108.41 2hjb n SER 167 Ca -0.19 -0.73 -0.46 0.00 -0.26 0.00 0.00 58.87 57.23 2hjb n SER 167 Cb 0.51 0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 2hjb n SER 167 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2hjb n THR 168 N -0.79 0.09 -3.30 6.66 -1.04 -1.26 -4.66 114.28 109.97 2hjb n THR 168 Ca 0.13 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.05 61.74 2hjb n THR 168 Cb 0.31 -1.56 -0.06 0.00 -1.82 0.00 0.00 70.33 67.20 2hjb n THR 168 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2hjb s PHE 169 N 0.83 3.47 -0.03 -1.42 5.36 -1.26 -0.87 117.98 124.06 2hjb s PHE 169 Ca 0.77 0.85 -0.06 0.00 -0.96 0.00 0.00 56.93 57.54 2hjb s PHE 169 Cb -0.66 -2.58 -0.02 0.00 -0.34 0.00 0.00 43.02 39.41 2hjb s PHE 169 CO 0.39 0.09 -0.11 1.58 -1.46 0.00 0.00 175.22 175.71 2hjb n HIS 170 N 3.99 0.00 -4.01 10.12 -0.00 -0.57 -3.18 115.22 121.57 2hjb n HIS 170 Ca -0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.54 2hjb n HIS 170 Cb 0.51 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.99 30.31 2hjb n HIS 170 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2hjb s THR 172 N -3.21 2.55 0.37 0.00 2.01 0.91 -0.24 115.64 118.04 2hjb s THR 172 Ca 0.25 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.39 2hjb s THR 172 Cb -0.01 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 2hjb s THR 172 CO 0.15 0.57 0.56 0.42 -0.69 0.00 0.00 174.62 175.63 2hjb s THR 173 N -0.25 4.37 -0.44 -0.82 -4.23 -0.19 -1.70 115.64 112.38 2hjb s THR 173 Ca 0.00 -0.69 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 2hjb s THR 173 Cb -0.13 -3.58 0.16 0.00 1.34 0.00 0.00 72.50 70.29 2hjb s THR 173 CO 0.03 -0.33 0.32 -0.44 -0.54 0.00 0.00 174.62 173.66 2hjb s SER 174 N -4.14 2.57 -0.25 3.99 0.01 0.45 -3.73 113.70 112.59 2hjb s SER 174 Ca 0.44 -2.91 -0.13 0.00 1.31 0.00 0.00 55.95 54.66 2hjb s SER 174 Cb -0.10 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 2hjb s SER 174 CO 0.35 -0.20 0.29 -0.69 0.41 0.00 0.00 173.24 173.39 2hjb s VAL 175 N 0.13 5.25 -0.01 3.43 1.01 -0.55 -4.71 120.40 124.94 2hjb s VAL 175 Ca 0.26 0.41 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 2hjb s VAL 175 Cb -0.08 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 2hjb s VAL 175 CO -0.12 0.24 1.48 -0.22 0.00 0.00 0.00 175.10 176.48 2hjb s LEU 176 N 1.66 4.32 -0.19 3.92 2.96 -1.26 -0.08 118.68 130.00 2hjb s LEU 176 Ca 0.12 2.17 -0.15 0.00 -0.22 0.00 0.00 54.13 56.05 2hjb s LEU 176 Cb -0.15 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 2hjb s LEU 176 CO 0.09 -0.79 -0.16 0.52 -1.32 0.00 0.00 176.35 174.69 2hjb n VAL 177 N 4.87 1.49 -3.68 1.68 0.31 0.32 -4.91 118.33 118.41 2hjb n VAL 177 Ca 0.14 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 2hjb n VAL 177 Cb 0.43 -2.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 2hjb n VAL 177 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hjb n GLY 178 N 1.47 0.62 3.80 2.92 0.00 -1.17 -5.01 105.19 107.82 2hjb n GLY 178 Ca -0.23 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 2hjb n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hjb s LEU 179 N 0.00 3.84 0.00 0.99 1.43 -1.26 -0.20 118.68 123.48 2hjb s LEU 179 Ca 0.00 1.93 0.29 0.00 -1.03 0.00 0.00 54.13 55.32 2hjb s LEU 179 Cb 0.00 -4.56 1.16 0.00 0.03 0.00 0.00 46.19 42.82 2hjb s LEU 179 CO 0.00 -0.79 1.81 0.00 0.23 0.00 0.00 176.35 177.60