#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hj4 h VAL 72 N 0.00 0.21 -0.00 3.84 -1.51 -2.01 -1.96 116.25 114.81 2hj4 h VAL 72 Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 2hj4 h VAL 72 Cb 0.00 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 2hj4 h VAL 72 CO 0.00 0.04 -0.01 0.59 -1.23 0.00 0.00 177.57 176.96 2hj4 n ASN 73 N -3.29 0.02 -4.78 4.19 3.02 -1.26 -4.80 115.26 108.35 2hj4 n ASN 73 Ca -0.02 -0.23 -0.39 0.00 -0.03 0.00 0.00 54.58 53.92 2hj4 n ASN 73 Cb 0.19 -0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 39.05 2hj4 n ASN 73 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2hj4 s SER 74 N -2.52 7.17 0.52 6.41 0.15 -0.74 -4.95 113.70 119.74 2hj4 s SER 74 Ca 0.30 1.39 0.26 0.00 0.70 0.00 0.00 55.95 58.60 2hj4 s SER 74 Cb 0.20 -2.42 1.42 0.00 -1.71 0.00 0.00 66.02 63.51 2hj4 s SER 74 CO 0.46 0.16 2.07 0.00 1.20 0.00 0.00 173.24 177.13 2hj4 n ASP 76 N -3.73 0.00 -4.64 0.00 8.00 -1.26 -4.73 116.55 110.19 2hj4 n ASP 76 Ca -0.02 0.12 -0.46 0.00 0.71 0.00 0.00 54.79 55.14 2hj4 n ASP 76 Cb 0.23 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 2hj4 n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hj4 n TYR 77 N -1.37 1.88 -0.20 1.24 4.19 -0.69 -4.83 117.16 117.37 2hj4 n TYR 77 Ca 0.11 0.50 0.06 0.00 3.31 0.00 0.00 57.90 61.89 2hj4 n TYR 77 Cb 0.28 -2.41 0.34 0.00 0.49 0.00 0.00 39.34 38.05 2hj4 n TYR 77 CO 0.00 0.00 0.00 0.11 0.91 0.00 0.00 176.86 177.88 2hj4 h TRP 78 N 4.11 0.80 0.00 2.98 5.08 -1.89 -1.19 115.95 125.83 2hj4 h TRP 78 Ca -0.45 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.55 2hj4 h TRP 78 Cb 1.30 -0.26 0.00 0.00 -3.00 0.00 0.00 29.16 27.20 2hj4 h TRP 78 CO 0.56 0.42 0.00 0.00 -1.28 0.00 0.00 178.44 178.14 2hj4 h ARG 79 N 0.78 0.00 -0.91 0.12 3.08 -1.89 -3.20 114.38 112.36 2hj4 h ARG 79 Ca 0.33 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.23 2hj4 h ARG 79 Cb 0.27 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.24 2hj4 h ARG 79 CO -0.11 0.00 0.19 0.72 -1.07 0.00 0.00 179.97 179.70 2hj4 n HIS 80 N -2.75 1.31 0.39 3.04 8.25 -0.45 -4.61 115.22 120.40 2hj4 n HIS 80 Ca 0.00 -0.82 0.12 0.00 -0.26 0.00 0.00 57.72 56.76 2hj4 n HIS 80 Cb 0.22 -0.47 0.51 0.00 1.12 0.00 0.00 29.99 31.37 2hj4 n HIS 80 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hj4 n ALA 82 N -1.80 2.98 -2.70 0.00 0.00 -1.25 -1.67 120.51 116.05 2hj4 n ALA 82 Ca 0.02 -2.80 -0.41 0.00 0.00 0.00 0.00 53.44 50.25 2hj4 n ALA 82 Cb 0.24 -0.57 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 2hj4 n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hj4 s VAL 83 N -1.57 4.93 -0.41 0.00 1.01 -1.05 -4.86 120.40 118.45 2hj4 s VAL 83 Ca 0.36 1.77 0.02 0.00 0.00 0.00 0.00 61.98 64.12 2hj4 s VAL 83 Cb 0.38 -4.19 0.12 0.00 0.00 0.00 0.00 36.38 32.70 2hj4 s VAL 83 CO -0.12 0.16 0.19 -0.62 0.00 0.00 0.00 175.10 174.72 2hj4 s ASP 84 N 0.96 3.90 0.00 3.32 -1.08 -1.25 -0.64 116.67 121.88 2hj4 s ASP 84 Ca 0.44 -2.42 0.00 0.00 -0.52 0.00 0.00 52.55 50.05 2hj4 s ASP 84 Cb -0.19 -1.12 0.00 0.00 -1.46 0.00 0.00 42.92 40.15 2hj4 s ASP 84 CO 0.21 -0.30 0.00 0.61 0.52 0.00 0.00 175.17 176.21 2hj4 n GLY 85 N 3.83 -0.83 3.74 2.66 0.00 0.03 -5.00 105.19 109.62 2hj4 n GLY 85 Ca 0.06 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 2hj4 n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hj4 s PHE 86 N -3.00 3.47 0.01 1.61 0.40 -1.26 0.49 117.98 119.70 2hj4 s PHE 86 Ca 0.00 0.57 -0.30 0.00 -0.60 0.00 0.00 56.93 56.60 2hj4 s PHE 86 Cb 0.00 -2.30 -0.07 0.00 0.51 0.00 0.00 43.02 41.17 2hj4 s PHE 86 CO 0.00 0.28 1.60 -0.51 0.70 0.00 0.00 175.22 177.29 2hj4 s LEU 87 N 0.33 4.34 0.57 -0.37 1.43 -0.55 0.09 118.68 124.52 2hj4 s LEU 87 Ca 0.15 2.31 0.27 0.00 -1.03 0.00 0.00 54.13 55.84 2hj4 s LEU 87 Cb -0.13 -3.55 1.67 0.00 0.03 0.00 0.00 46.19 44.21 2hj4 s LEU 87 CO 0.03 -0.86 2.20 0.00 0.23 0.00 0.00 176.35 177.95 2hj4 h SER 89 N 0.00 0.00 -0.25 0.00 4.64 -1.73 -0.08 113.55 116.14 2hj4 h SER 89 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hj4 h SER 89 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2hj4 h SER 89 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2hj4 n GLY 92 N -1.24 0.75 0.00 0.00 0.00 -1.21 -4.68 105.19 98.80 2hj4 n GLY 92 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2hj4 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hj4 n GLY 93 N -2.31 5.10 3.40 -0.02 0.00 -0.53 -4.44 105.19 106.39 2hj4 n GLY 93 Ca 0.00 -1.99 -0.23 0.00 0.00 0.00 0.00 46.02 43.81 2hj4 n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hj4 s THR 94 N 1.64 0.27 0.50 2.61 -4.23 -0.61 -4.19 115.64 111.63 2hj4 s THR 94 Ca 0.00 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.81 2hj4 s THR 94 Cb 0.00 -2.40 0.49 0.00 1.34 0.00 0.00 72.50 71.92 2hj4 s THR 94 CO 0.00 0.00 1.82 0.71 -0.54 0.00 0.00 174.62 176.61 2hj4 h THR 95 N 1.95 0.48 0.00 3.99 1.35 -1.92 -2.76 112.91 116.01 2hj4 h THR 95 Ca -0.30 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2hj4 h THR 95 Cb 1.25 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 2hj4 h THR 95 CO 0.46 0.02 -0.05 0.35 -0.25 0.00 0.00 175.52 176.05 2hj4 n THR 96 N -4.34 1.03 -3.92 6.82 -2.24 -1.26 -1.79 114.28 108.57 2hj4 n THR 96 Ca 0.24 -1.14 -0.13 0.00 -2.27 0.00 0.00 64.05 60.75 2hj4 n THR 96 Cb 1.06 0.35 -0.14 0.00 -2.10 0.00 0.00 70.33 69.50 2hj4 n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2hj4 s THR 97 N -1.33 0.07 0.40 4.28 -4.23 -1.04 -5.09 115.64 108.71 2hj4 s THR 97 Ca 0.10 -0.04 -0.24 0.00 -1.18 0.00 0.00 61.69 60.33 2hj4 s THR 97 Cb 0.08 -0.07 -0.09 0.00 1.34 0.00 0.00 72.50 73.76 2hj4 s THR 97 CO 0.01 0.02 1.05 0.00 -0.54 0.00 0.00 174.62 175.17 2hj4 n PRO 99 N -0.13 0.15 -1.62 0.00 -0.02 -1.26 -4.68 135.00 127.44 2hj4 n PRO 99 Ca 0.05 0.11 -0.48 0.00 -2.02 0.00 0.00 63.50 61.17 2hj4 n PRO 99 Cb 0.50 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 2hj4 n PRO 99 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2hj4 n PRO 100 N -2.19 1.58 -1.05 0.52 -0.02 -1.26 -1.98 135.00 130.60 2hj4 n PRO 100 Ca 0.11 0.57 -0.02 0.00 -2.02 0.00 0.00 63.50 62.14 2hj4 n PRO 100 Cb 0.51 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 2hj4 n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hj4 n GLY 101 N 2.45 0.48 3.60 -1.23 0.00 -1.26 -5.03 105.19 104.21 2hj4 n GLY 101 Ca 0.15 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 2hj4 n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hj4 s SER 102 N -2.24 4.62 -0.18 1.61 1.04 -0.84 -4.71 113.70 112.99 2hj4 s SER 102 Ca 0.00 -0.19 -0.06 0.00 0.48 0.00 0.00 55.95 56.18 2hj4 s SER 102 Cb 0.00 -1.04 -0.03 0.00 0.10 0.00 0.00 66.02 65.04 2hj4 s SER 102 CO 0.00 0.25 0.02 -0.89 0.98 0.00 0.00 173.24 173.60 2hj4 s THR 103 N -1.06 4.31 0.41 2.02 2.01 0.57 -4.73 115.64 119.16 2hj4 s THR 103 Ca 0.19 -0.20 -0.27 0.00 0.31 0.00 0.00 61.69 61.72 2hj4 s THR 103 Cb -0.11 -2.93 -0.10 0.00 0.01 0.00 0.00 72.50 69.37 2hj4 s THR 103 CO 0.10 0.46 1.47 -2.84 -0.69 0.00 0.00 174.62 173.12 2hj4 s PRO 104 N 0.54 3.93 0.09 4.92 0.02 -1.26 0.54 135.00 143.78 2hj4 s PRO 104 Ca 0.00 2.53 -0.30 0.00 0.02 0.00 0.00 61.00 63.25 2hj4 s PRO 104 Cb -0.14 -2.84 -0.05 0.00 0.02 0.00 0.00 34.50 31.49 2hj4 s PRO 104 CO 0.02 -0.66 1.01 -1.54 -0.33 0.00 0.00 177.00 175.50 2hj4 s SER 105 N -0.27 7.39 0.00 2.53 1.04 -0.12 -4.87 113.70 119.40 2hj4 s SER 105 Ca 0.56 1.83 0.24 0.00 0.48 0.00 0.00 55.95 59.06 2hj4 s SER 105 Cb -0.46 -2.59 1.18 0.00 0.10 0.00 0.00 66.02 64.25 2hj4 s SER 105 CO 0.61 -0.18 1.79 -0.81 0.98 0.00 0.00 173.24 175.63 2hj4 n PRO 106 N 3.11 0.29 -4.33 4.02 -0.04 -1.26 -4.65 135.00 132.14 2hj4 n PRO 106 Ca 0.04 0.07 -0.17 0.00 -0.04 0.00 0.00 63.50 63.39 2hj4 n PRO 106 Cb 0.49 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 2hj4 n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2hj4 s ILE 107 N -2.64 1.27 0.00 0.52 -4.36 -1.26 -5.15 121.20 109.58 2hj4 s ILE 107 Ca 0.21 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 2hj4 s ILE 107 Cb 0.16 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.69 2hj4 s ILE 107 CO 0.38 -0.48 0.00 -1.54 0.24 0.00 0.00 174.94 173.54 2hj4 n SER 108 N -0.38 0.92 -3.58 4.36 3.41 -1.26 -4.60 113.62 112.49 2hj4 n SER 108 Ca -0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.40 2hj4 n SER 108 Cb 0.62 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.51 2hj4 n SER 108 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2hj4 s ILE 110 N 1.12 0.00 0.24 -1.33 1.01 0.59 -4.87 121.20 117.96 2hj4 s ILE 110 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 60.65 60.75 2hj4 s ILE 110 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 2hj4 s ILE 110 CO 0.00 0.00 -0.18 -0.83 0.00 0.00 0.00 174.94 173.93 2hj4 s GLY 111 N -0.62 1.68 -0.30 6.18 0.00 0.16 -4.51 107.32 109.91 2hj4 s GLY 111 Ca -0.04 -1.78 -0.03 0.00 0.00 0.00 0.00 44.72 42.87 2hj4 s GLY 111 CO 0.03 -1.87 0.02 -1.59 0.00 0.00 0.00 173.10 169.69 2hj4 s THR 112 N -2.70 3.20 -0.01 0.90 2.01 -1.26 -0.41 115.64 117.38 2hj4 s THR 112 Ca 0.26 -1.25 0.07 0.00 0.31 0.00 0.00 61.69 61.09 2hj4 s THR 112 Cb -0.03 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 2hj4 s THR 112 CO 0.11 -0.08 -0.23 0.00 -0.69 0.00 0.00 174.62 173.74 2hj4 s HIS 114 N -0.59 3.39 -0.44 0.00 2.46 -1.26 -0.89 115.29 117.96 2hj4 s HIS 114 Ca 0.09 1.32 -0.24 0.00 0.47 0.00 0.00 55.06 56.70 2hj4 s HIS 114 Cb -0.09 -3.10 0.02 0.00 -0.13 0.00 0.00 32.58 29.29 2hj4 s HIS 114 CO -0.00 -0.32 0.84 1.21 -2.47 0.00 0.00 174.74 173.99 2hj4 s ASN 115 N 1.20 6.48 0.46 9.88 3.84 0.93 -4.86 114.94 132.87 2hj4 s ASN 115 Ca 0.40 0.08 0.26 0.00 0.21 0.00 0.00 52.86 53.81 2hj4 s ASN 115 Cb -0.16 -2.41 0.96 0.00 -0.55 0.00 0.00 41.25 39.08 2hj4 s ASN 115 CO 0.11 -0.93 1.84 1.55 -2.79 0.00 0.00 177.10 176.87 2hj4 h PRO 116 N 8.90 0.00 -0.09 0.43 0.13 -1.95 0.21 132.00 139.63 2hj4 h PRO 116 Ca -0.24 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.83 2hj4 h PRO 116 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2hj4 h PRO 116 CO 0.98 0.17 -0.21 0.45 -0.23 0.00 0.00 178.00 179.16 2hj4 h HIS 117 N 0.00 0.17 0.00 1.56 3.86 -1.95 -3.27 115.15 115.52 2hj4 h HIS 117 Ca -0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2hj4 h HIS 117 Cb 0.73 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.15 2hj4 h HIS 117 CO 0.00 0.36 0.00 -0.40 0.86 0.00 0.00 177.93 178.75 2hj4 n ASP 118 N -4.23 0.66 -0.04 2.45 3.85 -1.17 -5.02 116.55 113.06 2hj4 n ASP 118 Ca -0.01 -0.95 -0.00 0.00 -0.71 0.00 0.00 54.79 53.11 2hj4 n ASP 118 Cb 0.31 0.06 -0.00 0.00 -1.35 0.00 0.00 41.12 40.14 2hj4 n ASP 118 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2hj4 n GLY 119 N 0.06 0.41 3.73 6.12 0.00 0.05 -5.02 105.19 110.54 2hj4 n GLY 119 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2hj4 n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hj4 s LYS 120 N -0.70 2.74 -0.12 1.61 1.02 -1.17 -4.87 119.74 118.25 2hj4 s LYS 120 Ca 0.00 -0.74 -0.07 0.00 0.02 0.00 0.00 55.97 55.18 2hj4 s LYS 120 Cb 0.00 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 2hj4 s LYS 120 CO 0.00 0.56 0.14 -0.51 -0.92 0.00 0.00 175.35 174.62 2hj4 s ASP 121 N -2.28 6.35 0.07 2.83 -0.00 -1.26 -0.05 116.67 122.33 2hj4 s ASP 121 Ca 0.27 0.45 0.05 0.00 -0.00 0.00 0.00 52.55 53.32 2hj4 s ASP 121 Cb -0.12 -2.05 -0.03 0.00 -0.00 0.00 0.00 42.92 40.72 2hj4 s ASP 121 CO 0.19 0.40 -0.14 -0.31 -0.00 0.00 0.00 175.17 175.32 2hj4 s TYR 122 N -0.99 1.20 -0.12 4.23 1.51 -0.07 -4.43 117.35 118.68 2hj4 s TYR 122 Ca 0.15 -0.46 -0.28 0.00 -1.01 0.00 0.00 57.07 55.47 2hj4 s TYR 122 Cb -0.12 -0.67 -0.02 0.00 -0.11 0.00 0.00 41.96 41.04 2hj4 s TYR 122 CO 0.04 0.05 0.92 -0.51 -1.11 0.00 0.00 175.55 174.94 2hj4 s LEU 123 N -1.75 4.23 -0.13 -1.29 1.43 0.23 -0.80 118.68 120.61 2hj4 s LEU 123 Ca -0.02 1.38 0.02 0.00 -1.03 0.00 0.00 54.13 54.48 2hj4 s LEU 123 Cb -0.10 -3.40 -0.00 0.00 0.03 0.00 0.00 46.19 42.72 2hj4 s LEU 123 CO 0.02 -0.40 -0.18 -0.63 0.23 0.00 0.00 176.35 175.39 2hj4 s ILE 124 N 1.93 2.51 -0.20 -0.59 -1.09 0.45 -1.20 121.20 123.01 2hj4 s ILE 124 Ca 0.44 -0.85 -0.12 0.00 -2.23 0.00 0.00 60.65 57.89 2hj4 s ILE 124 Cb -0.18 -2.02 -0.05 0.00 -1.58 0.00 0.00 42.46 38.64 2hj4 s ILE 124 CO 0.16 0.54 0.22 -0.55 -1.23 0.00 0.00 174.94 174.08 2hj4 s SER 125 N 0.50 6.27 -0.99 3.58 0.15 0.45 -0.66 113.70 122.99 2hj4 s SER 125 Ca -0.12 0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.81 2hj4 s SER 125 Cb -0.17 -2.14 0.31 0.00 -1.71 0.00 0.00 66.02 62.31 2hj4 s SER 125 CO 0.05 0.08 1.44 -1.22 1.20 0.00 0.00 173.24 174.80 2hj4 n TYR 126 N 3.94 2.59 -2.13 3.44 4.02 -1.26 -1.24 117.16 126.51 2hj4 n TYR 126 Ca -0.13 -2.82 -0.42 0.00 -0.01 0.00 0.00 57.90 54.52 2hj4 n TYR 126 Cb 0.52 -1.12 -0.03 0.00 -0.02 0.00 0.00 39.34 38.69 2hj4 n TYR 126 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2hj4 s HIS 127 N -3.12 3.21 0.57 -0.72 3.76 -1.24 -4.75 115.29 112.99 2hj4 s HIS 127 Ca 0.35 0.95 -0.04 0.00 -0.15 0.00 0.00 55.06 56.16 2hj4 s HIS 127 Cb 0.10 -3.72 0.01 0.00 1.11 0.00 0.00 32.58 30.09 2hj4 s HIS 127 CO 0.04 -2.48 0.85 -0.51 -0.85 0.00 0.00 174.74 171.79 2hj4 s ASP 128 N 0.95 5.59 -0.10 1.40 1.01 -1.26 -0.71 116.67 123.55 2hj4 s ASP 128 Ca 0.64 0.59 -0.00 0.00 0.71 0.00 0.00 52.55 54.48 2hj4 s ASP 128 Cb -0.38 -1.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.92 2hj4 s ASP 128 CO 0.32 -1.02 -0.09 0.00 0.21 0.00 0.00 175.17 174.59 2hj4 n GLY 131 N -0.48 0.72 3.16 0.00 0.00 -0.23 -0.32 105.19 108.05 2hj4 n GLY 131 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 2hj4 n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hj4 s LYS 132 N -0.41 0.81 0.96 1.61 1.02 -1.26 -4.95 119.74 117.53 2hj4 s LYS 132 Ca 0.00 -1.12 -0.12 0.00 0.02 0.00 0.00 55.97 54.75 2hj4 s LYS 132 Cb 0.00 -0.51 0.16 0.00 -0.52 0.00 0.00 37.83 36.97 2hj4 s LYS 132 CO 0.00 0.08 1.09 0.95 -0.92 0.00 0.00 175.35 176.55 2hj4 s THR 133 N -2.33 2.30 0.05 2.17 -4.23 -1.26 -3.30 115.64 109.03 2hj4 s THR 133 Ca 0.04 0.10 -0.35 0.00 -1.18 0.00 0.00 61.69 60.30 2hj4 s THR 133 Cb -0.04 -2.59 -0.14 0.00 1.34 0.00 0.00 72.50 71.07 2hj4 s THR 133 CO -0.00 -0.13 1.65 0.00 -0.54 0.00 0.00 174.62 175.60 2hj4 n ALA 134 N -4.06 0.81 -0.29 3.99 0.00 -1.21 -4.58 120.51 115.17 2hj4 n ALA 134 Ca 0.06 0.40 -0.05 0.00 0.00 0.00 0.00 53.44 53.86 2hj4 n ALA 134 Cb 0.57 -2.35 0.07 0.00 0.00 0.00 0.00 19.45 17.73 2hj4 n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hj4 n GLY 136 N -1.16 0.62 3.40 0.00 0.00 -1.26 -5.01 105.19 101.78 2hj4 n GLY 136 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2hj4 n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hj4 s ARG 137 N -0.22 2.03 -1.19 1.61 0.52 -1.26 -4.75 118.95 115.69 2hj4 s ARG 137 Ca 0.00 -0.99 -0.09 0.00 -0.52 0.00 0.00 55.73 54.13 2hj4 s ARG 137 Cb 0.00 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.33 2hj4 s ARG 137 CO 0.00 0.54 0.77 0.00 0.02 0.00 0.00 175.30 176.63 2hj4 s GLN 139 N -5.67 4.14 0.15 0.00 0.74 -1.26 -1.49 119.66 116.27 2hj4 s GLN 139 Ca 0.28 1.83 0.10 0.00 0.05 0.00 0.00 55.36 57.62 2hj4 s GLN 139 Cb -0.08 -3.89 -0.04 0.00 1.10 0.00 0.00 33.01 30.10 2hj4 s GLN 139 CO 0.82 -0.86 -0.20 0.00 -0.55 0.00 0.00 175.29 174.50 2hj4 s ASN 141 N -2.38 1.43 0.04 0.00 3.84 -1.19 -0.79 114.94 115.89 2hj4 s ASN 141 Ca 0.19 -1.06 0.06 0.00 0.21 0.00 0.00 52.86 52.26 2hj4 s ASN 141 Cb -0.09 0.55 -0.02 0.00 -0.55 0.00 0.00 41.25 41.13 2hj4 s ASN 141 CO 0.10 -0.34 -0.17 -0.89 -2.79 0.00 0.00 177.10 173.01 2hj4 s THR 142 N 2.01 1.34 -0.06 -5.21 2.01 0.19 -5.00 115.64 110.92 2hj4 s THR 142 Ca 0.12 -1.05 0.12 0.00 0.31 0.00 0.00 61.69 61.20 2hj4 s THR 142 Cb -0.14 -1.19 0.22 0.00 0.01 0.00 0.00 72.50 71.40 2hj4 s THR 142 CO -0.22 0.12 1.10 0.00 -0.69 0.00 0.00 174.62 174.94 2hj4 n GLN 143 N 1.95 0.54 -1.63 4.92 1.13 -1.14 -3.38 117.38 119.77 2hj4 n GLN 143 Ca -0.17 -1.93 -0.43 0.00 -1.94 0.00 0.00 57.00 52.53 2hj4 n GLN 143 Cb 0.54 -0.79 -0.03 0.00 0.11 0.00 0.00 30.24 30.06 2hj4 n GLN 143 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2hj4 n THR 144 N -0.40 0.57 -0.98 5.09 -1.04 -0.67 -2.24 114.28 114.60 2hj4 n THR 144 Ca 0.08 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 2hj4 n THR 144 Cb 0.78 -2.37 0.00 0.00 -1.82 0.00 0.00 70.33 66.92 2hj4 n THR 144 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2hj4 n ARG 145 N 8.01 -1.29 -2.35 -2.82 1.74 -1.26 -4.61 116.66 114.08 2hj4 n ARG 145 Ca 0.25 0.32 -0.40 0.00 -0.77 0.00 0.00 57.85 57.25 2hj4 n ARG 145 Cb 0.41 -4.35 -0.03 0.00 -1.02 0.00 0.00 32.46 27.47 2hj4 n ARG 145 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2hj4 s GLU 146 N -1.33 4.50 0.16 5.56 -6.30 -0.95 -4.95 118.70 115.38 2hj4 s GLU 146 Ca 0.00 1.93 0.03 0.00 -2.50 0.00 0.00 54.97 54.43 2hj4 s GLU 146 Cb 0.00 -3.10 -0.05 0.00 0.00 0.00 0.00 34.13 30.98 2hj4 s GLU 146 CO 0.00 0.04 -0.04 1.03 0.02 0.00 0.00 175.26 176.31 2hj4 s ARG 147 N -1.64 1.07 1.26 4.30 1.81 -0.96 -5.02 118.95 119.77 2hj4 s ARG 147 Ca 0.47 -1.49 -0.20 0.00 -1.72 0.00 0.00 55.73 52.79 2hj4 s ARG 147 Cb -0.34 -0.37 0.31 0.00 -0.45 0.00 0.00 34.95 34.10 2hj4 s ARG 147 CO 0.44 -0.06 1.06 -2.14 -0.68 0.00 0.00 175.30 173.93 2hj4 s PRO 148 N -3.85 -1.71 0.53 3.54 0.02 -1.26 -3.72 135.00 128.54 2hj4 s PRO 148 Ca 0.20 0.00 0.35 0.00 0.02 0.00 0.00 61.00 61.58 2hj4 s PRO 148 Cb 0.05 -1.53 1.90 0.00 0.02 0.00 0.00 34.50 34.93 2hj4 s PRO 148 CO 0.02 -4.05 2.08 0.78 -0.33 0.00 0.00 177.00 175.50 2hj4 h GLY 149 N -2.82 0.00 1.67 0.52 0.00 -1.97 0.21 103.07 100.68 2hj4 h GLY 149 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2hj4 h GLY 149 CO 0.33 0.00 0.00 1.58 0.00 0.00 0.00 176.54 178.45 2hj4 n TYR 150 N -2.76 0.00 -3.65 5.60 0.18 -1.26 -3.16 117.16 112.11 2hj4 n TYR 150 Ca -0.02 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.48 2hj4 n TYR 150 Cb 0.07 -0.34 -0.10 0.00 -0.38 0.00 0.00 39.34 38.59 2hj4 n TYR 150 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2hj4 n GLU 151 N -1.34 2.20 -0.19 -3.48 1.02 0.06 -5.01 120.64 113.90 2hj4 n GLU 151 Ca 0.11 -4.59 -0.06 0.00 -0.02 0.00 0.00 57.16 52.60 2hj4 n GLU 151 Cb 0.22 -2.27 0.11 0.00 -0.02 0.00 0.00 31.44 29.48 2hj4 n GLU 151 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2hj4 h PHE 152 N 4.75 1.04 -0.15 -0.32 3.57 -1.69 -1.11 116.94 123.03 2hj4 h PHE 152 Ca 0.18 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2hj4 h PHE 152 Cb 0.70 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2hj4 h PHE 152 CO 0.71 0.87 0.00 1.19 -2.23 0.00 0.00 178.31 178.85 2hj4 n PHE 153 N -4.24 0.19 0.11 0.41 3.01 -1.26 -1.91 117.46 113.77 2hj4 n PHE 153 Ca 0.04 -0.10 0.08 0.00 1.01 0.00 0.00 57.45 58.49 2hj4 n PHE 153 Cb 0.26 0.00 0.17 0.00 -0.01 0.00 0.00 39.48 39.90 2hj4 n PHE 153 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2hj4 n LEU 154 N 0.02 3.02 -4.58 4.37 4.77 -0.43 -0.30 117.00 123.87 2hj4 n LEU 154 Ca 0.13 -1.61 -0.34 0.00 -0.03 0.00 0.00 56.01 54.16 2hj4 n LEU 154 Cb 0.23 -0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 40.99 2hj4 n LEU 154 CO 0.10 0.69 -0.32 -2.28 -1.33 0.00 0.00 177.39 174.24 2hj4 s HIS 155 N -1.16 3.10 -0.15 -1.77 2.46 -0.80 -2.26 115.29 114.71 2hj4 s HIS 155 Ca 0.29 -0.06 0.11 0.00 0.47 0.00 0.00 55.06 55.87 2hj4 s HIS 155 Cb 0.17 -1.91 0.21 0.00 -0.13 0.00 0.00 32.58 30.92 2hj4 s HIS 155 CO 0.23 0.18 1.13 0.27 -2.47 0.00 0.00 174.74 174.08 2hj4 n ASN 156 N 3.01 2.42 -1.18 9.88 0.23 -1.26 -4.60 115.26 123.76 2hj4 n ASN 156 Ca -0.18 -2.59 0.09 0.00 -0.53 0.00 0.00 54.58 51.37 2hj4 n ASN 156 Cb 0.53 -0.27 0.27 0.00 -2.08 0.00 0.00 39.78 38.24 2hj4 n ASN 156 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2hj4 n ASP 157 N -0.84 3.45 -4.55 0.53 8.00 -1.26 -4.78 116.55 117.10 2hj4 n ASP 157 Ca 0.10 -2.12 -0.24 0.00 0.71 0.00 0.00 54.79 53.24 2hj4 n ASP 157 Cb 0.50 -0.44 -0.09 0.00 -0.02 0.00 0.00 41.12 41.07 2hj4 n ASP 157 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2hj4 s VAL 158 N -1.39 2.63 -0.59 2.53 -7.23 -1.26 -5.10 120.40 109.99 2hj4 s VAL 158 Ca 0.41 -2.20 -0.25 0.00 -1.81 0.00 0.00 61.98 58.12 2hj4 s VAL 158 Cb 0.23 -2.56 0.04 0.00 0.56 0.00 0.00 36.38 34.65 2hj4 s VAL 158 CO 0.25 -0.32 1.05 0.21 -0.31 0.00 0.00 175.10 175.98 2hj4 s ASN 159 N -3.60 6.33 0.00 4.85 2.47 -1.26 -4.91 114.94 118.82 2hj4 s ASN 159 Ca 0.32 -0.31 0.16 0.00 0.42 0.00 0.00 52.86 53.45 2hj4 s ASN 159 Cb -0.03 -2.48 0.97 0.00 -1.45 0.00 0.00 41.25 38.27 2hj4 s ASN 159 CO 0.17 -1.38 1.40 0.79 -3.72 0.00 0.00 177.10 174.36 2hj4 n TRP 160 N 7.94 0.00 1.82 0.43 7.02 -1.26 -1.07 117.44 132.33 2hj4 n TRP 160 Ca 0.03 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.60 2hj4 n TRP 160 Cb 0.48 0.00 0.48 0.00 -2.42 0.00 0.00 31.31 29.84 2hj4 n TRP 160 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2hj4 h MET 162 N 0.50 0.00 -0.07 0.00 -0.00 -1.37 -1.30 114.93 112.69 2hj4 h MET 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2hj4 h MET 162 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 2hj4 h MET 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.91 2hj4 n ALA 163 N -2.19 2.45 -1.41 -3.00 0.00 -1.26 -4.90 120.51 110.19 2hj4 n ALA 163 Ca -0.02 -0.69 -0.30 0.00 0.00 0.00 0.00 53.44 52.43 2hj4 n ALA 163 Cb 0.13 -0.53 0.10 0.00 0.00 0.00 0.00 19.45 19.14 2hj4 n ALA 163 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2hj4 s ASN 164 N -1.26 4.34 0.22 0.00 0.01 -0.49 -4.95 114.94 112.82 2hj4 s ASN 164 Ca 0.20 1.48 -0.08 0.00 -0.71 0.00 0.00 52.86 53.75 2hj4 s ASN 164 Cb 0.13 -2.21 0.27 0.00 0.41 0.00 0.00 41.25 39.85 2hj4 s ASN 164 CO 0.20 -2.09 1.84 -0.08 -1.51 0.00 0.00 177.10 175.46 2hj4 h GLU 165 N -1.17 0.85 -4.73 -0.60 4.81 -1.95 -3.34 114.58 108.45 2hj4 h GLU 165 Ca -0.47 -0.05 -0.61 0.00 -0.13 0.00 0.00 59.36 58.10 2hj4 h GLU 165 Cb 1.26 -0.19 -0.36 0.00 0.63 0.00 0.00 28.75 30.09 2hj4 h GLU 165 CO 0.56 0.56 -0.84 1.21 -0.73 0.00 0.00 179.01 179.78 2hj4 s ASN 166 N -5.73 2.74 0.00 1.04 3.84 -1.26 -5.02 114.94 110.55 2hj4 s ASN 166 Ca -0.13 -0.51 0.28 0.00 0.21 0.00 0.00 52.86 52.72 2hj4 s ASN 166 Cb 0.17 -1.22 1.45 0.00 -0.55 0.00 0.00 41.25 41.10 2hj4 s ASN 166 CO 0.78 -0.04 1.96 -1.54 -2.79 0.00 0.00 177.10 175.46 2hj4 n SER 167 N 4.72 0.57 -4.70 -4.21 3.41 -1.26 -2.95 113.62 109.20 2hj4 n SER 167 Ca -0.18 -1.26 -0.44 0.00 -0.26 0.00 0.00 58.87 56.74 2hj4 n SER 167 Cb 0.50 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 2hj4 n SER 167 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2hj4 n THR 168 N -0.52 0.05 -2.97 6.66 -1.04 -1.26 -4.67 114.28 110.52 2hj4 n THR 168 Ca 0.20 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.80 2hj4 n THR 168 Cb 0.19 -1.84 -0.05 0.00 -1.82 0.00 0.00 70.33 66.82 2hj4 n THR 168 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2hj4 s PHE 169 N 1.29 3.46 -0.06 -1.42 5.36 -1.26 -1.06 117.98 124.29 2hj4 s PHE 169 Ca 0.77 1.19 -0.09 0.00 -0.96 0.00 0.00 56.93 57.85 2hj4 s PHE 169 Cb -0.57 -2.92 -0.03 0.00 -0.34 0.00 0.00 43.02 39.16 2hj4 s PHE 169 CO 0.35 -0.14 -0.17 1.58 -1.46 0.00 0.00 175.22 175.38 2hj4 n HIS 170 N 4.79 0.00 -3.90 10.12 -0.00 -0.81 -3.33 115.22 122.10 2hj4 n HIS 170 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.64 2hj4 n HIS 170 Cb 0.50 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.99 30.24 2hj4 n HIS 170 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2hj4 s THR 172 N -3.09 1.84 0.32 0.00 2.01 0.11 -0.34 115.64 116.49 2hj4 s THR 172 Ca 0.18 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.28 2hj4 s THR 172 Cb -0.04 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 2hj4 s THR 172 CO 0.12 0.52 0.32 0.42 -0.69 0.00 0.00 174.62 175.30 2hj4 s THR 173 N -0.30 3.90 -0.42 -0.82 -4.23 0.12 -1.69 115.64 112.20 2hj4 s THR 173 Ca 0.02 -1.27 0.02 0.00 -1.18 0.00 0.00 61.69 59.27 2hj4 s THR 173 Cb -0.11 -3.31 0.14 0.00 1.34 0.00 0.00 72.50 70.56 2hj4 s THR 173 CO 0.01 -0.21 0.24 -0.44 -0.54 0.00 0.00 174.62 173.69 2hj4 s SER 174 N -4.01 3.40 -0.21 3.99 0.01 -0.74 -3.73 113.70 112.41 2hj4 s SER 174 Ca 0.40 -2.56 -0.10 0.00 1.31 0.00 0.00 55.95 55.00 2hj4 s SER 174 Cb -0.07 -0.86 -0.05 0.00 0.21 0.00 0.00 66.02 65.25 2hj4 s SER 174 CO 0.27 -0.27 0.14 -0.69 0.41 0.00 0.00 173.24 173.10 2hj4 s VAL 175 N 0.48 5.40 -0.16 3.43 1.01 -0.37 -4.71 120.40 125.47 2hj4 s VAL 175 Ca 0.19 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 2hj4 s VAL 175 Cb -0.22 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2hj4 s VAL 175 CO -0.01 0.42 1.22 -0.22 0.00 0.00 0.00 175.10 176.51 2hj4 s LEU 176 N 0.51 4.18 -0.24 3.92 1.98 -1.26 -0.41 118.68 127.36 2hj4 s LEU 176 Ca 0.08 1.66 -0.15 0.00 -2.89 0.00 0.00 54.13 52.83 2hj4 s LEU 176 Cb -0.12 -3.54 -0.16 0.00 0.66 0.00 0.00 46.19 43.03 2hj4 s LEU 176 CO -0.01 -0.73 -0.06 0.52 -1.89 0.00 0.00 176.35 174.19 2hj4 n VAL 177 N 5.27 1.55 -1.64 1.68 0.31 -0.34 -4.94 118.33 120.23 2hj4 n VAL 177 Ca 0.13 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2hj4 n VAL 177 Cb 0.45 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 2hj4 n VAL 177 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hj4 n GLY 178 N 1.47 -1.94 0.00 2.92 0.00 -1.19 -5.00 105.19 101.45 2hj4 n GLY 178 Ca -0.43 -1.18 0.03 0.00 0.00 0.00 0.00 46.02 44.44 2hj4 n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36