#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u39 s PRO 80 N 0.00 2.64 -0.18 0.54 0.04 -1.26 -4.97 135.00 131.82 1u39 s PRO 80 Ca 0.00 0.54 -0.07 0.00 0.04 0.00 0.00 61.00 61.51 1u39 s PRO 80 Cb 0.00 -4.40 -0.04 0.00 0.04 0.00 0.00 34.50 30.09 1u39 s PRO 80 CO 0.00 -2.73 0.06 0.08 0.04 0.00 0.00 177.00 174.45 1u39 s VAL 81 N 8.98 4.80 -0.15 -0.36 1.01 -1.26 -4.65 120.40 128.77 1u39 s VAL 81 Ca 0.66 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.53 1u39 s VAL 81 Cb -0.12 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1u39 s VAL 81 CO 0.20 0.47 0.10 -0.89 0.00 0.00 0.00 175.10 174.98 1u39 s THR 82 N 0.26 5.15 -0.40 3.92 2.01 -0.82 -4.92 115.64 120.85 1u39 s THR 82 Ca 0.04 0.09 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 1u39 s THR 82 Cb -0.12 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 69.12 1u39 s THR 82 CO 0.00 0.53 0.46 -0.89 -0.69 0.00 0.00 174.62 174.04 1u39 s THR 83 N -0.31 5.06 -0.56 -0.82 2.01 -1.26 -1.03 115.64 118.73 1u39 s THR 83 Ca 0.10 -0.11 -0.25 0.00 0.31 0.00 0.00 61.69 61.74 1u39 s THR 83 Cb -0.12 -4.01 0.04 0.00 0.01 0.00 0.00 72.50 68.43 1u39 s THR 83 CO 0.01 -0.35 0.98 -0.69 -0.69 0.00 0.00 174.62 173.88 1u39 s VAL 84 N 2.24 4.33 -0.95 3.82 1.01 0.16 -4.21 120.40 126.79 1u39 s VAL 84 Ca 0.14 0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.35 1u39 s VAL 84 Cb -0.16 -4.58 0.24 0.00 0.00 0.00 0.00 36.38 31.88 1u39 s VAL 84 CO 0.14 -1.17 0.90 -0.22 0.00 0.00 0.00 175.10 174.75 1u39 s LEU 85 N 4.10 6.21 -0.15 3.92 0.20 -1.12 0.11 118.68 131.94 1u39 s LEU 85 Ca 0.31 -3.33 -0.28 0.00 0.69 0.00 0.00 54.13 51.53 1u39 s LEU 85 Cb -0.12 -2.12 -0.01 0.00 -0.43 0.00 0.00 46.19 43.51 1u39 s LEU 85 CO 0.19 -0.35 0.94 -0.63 -0.29 0.00 0.00 176.35 176.22 1u39 s ILE 86 N -0.81 4.80 0.14 6.68 1.01 0.39 -2.89 121.20 130.52 1u39 s ILE 86 Ca 0.26 1.88 -0.30 0.00 0.00 0.00 0.00 60.65 62.48 1u39 s ILE 86 Cb -0.10 -4.24 -0.07 0.00 0.01 0.00 0.00 42.46 38.05 1u39 s ILE 86 CO -0.09 -0.02 1.25 -0.13 0.00 0.00 0.00 174.94 175.95 1u39 s ARG 87 N 2.28 4.43 -0.43 2.79 0.52 -1.26 0.35 118.95 127.63 1u39 s ARG 87 Ca 0.43 1.91 0.02 0.00 -0.52 0.00 0.00 55.73 57.57 1u39 s ARG 87 Cb -0.17 -3.27 0.13 0.00 0.52 0.00 0.00 34.95 32.17 1u39 s ARG 87 CO 0.13 -0.23 0.23 1.03 0.02 0.00 0.00 175.30 176.48 1u39 s ARG 88 N 0.42 1.23 0.45 3.54 1.81 0.31 -4.86 118.95 121.85 1u39 s ARG 88 Ca 0.57 -1.93 0.23 0.00 -1.72 0.00 0.00 55.73 52.88 1u39 s ARG 88 Cb -0.33 -2.29 1.04 0.00 -0.45 0.00 0.00 34.95 32.92 1u39 s ARG 88 CO 0.33 -1.15 1.89 -1.00 -0.68 0.00 0.00 175.30 174.69 1u39 h PRO 89 N 6.81 0.00 0.00 3.54 0.13 -1.95 -1.24 132.00 139.29 1u39 h PRO 89 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1u39 h PRO 89 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1u39 h PRO 89 CO 0.47 0.23 0.00 -3.47 -0.23 0.00 0.00 178.00 175.01 1u39 n ASP 90 N -3.58 0.00 -0.12 1.44 2.03 -1.26 -4.89 116.55 110.18 1u39 n ASP 90 Ca -0.01 -0.96 -0.25 0.00 0.52 0.00 0.00 54.79 54.10 1u39 n ASP 90 Cb 0.38 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.66 1u39 n ASP 90 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1u39 n LEU 91 N 0.00 2.26 0.33 -2.67 4.77 -1.26 -4.31 117.00 116.12 1u39 n LEU 91 Ca 0.00 0.22 0.19 0.00 -0.03 0.00 0.00 56.01 56.40 1u39 n LEU 91 Cb 0.00 -0.89 1.03 0.00 -2.33 0.00 0.00 43.42 41.22 1u39 n LEU 91 CO 0.00 0.64 1.16 0.03 -1.33 0.00 0.00 177.39 177.89 1u39 h ARG 92 N -0.66 0.00 0.00 3.23 2.47 -1.98 -3.42 114.38 114.02 1u39 h ARG 92 Ca -0.59 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 57.85 1u39 h ARG 92 Cb 1.67 0.00 0.16 0.00 -1.65 0.00 0.00 29.97 30.16 1u39 h ARG 92 CO -0.26 0.00 -0.13 0.66 0.56 0.00 0.00 179.97 180.80 1u39 n TYR 93 N -3.07 -3.38 -3.76 3.04 4.02 -1.26 -5.07 117.16 107.69 1u39 n TYR 93 Ca -0.02 -0.62 -0.10 0.00 -0.01 0.00 0.00 57.90 57.15 1u39 n TYR 93 Cb 0.22 -0.94 -0.05 0.00 -0.02 0.00 0.00 39.34 38.54 1u39 n TYR 93 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1u39 s GLN 94 N -4.58 1.07 -0.26 -0.72 -2.07 -1.26 -5.07 119.66 106.77 1u39 s GLN 94 Ca 0.51 -0.87 -0.16 0.00 -1.82 0.00 0.00 55.36 53.02 1u39 s GLN 94 Cb -0.09 0.43 -0.14 0.00 -1.09 0.00 0.00 33.01 32.12 1u39 s GLN 94 CO 0.42 -0.40 -0.19 1.28 -1.32 0.00 0.00 175.29 175.08 1u39 n LEU 95 N -0.20 1.93 -0.84 2.60 4.77 -1.26 -4.53 117.00 119.47 1u39 n LEU 95 Ca -0.14 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1u39 n LEU 95 Cb 0.63 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1u39 n LEU 95 CO 0.20 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1u39 n GLY 96 N 1.31 0.14 3.60 -0.72 0.00 -1.26 -3.78 105.19 104.48 1u39 n GLY 96 Ca -0.47 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 1u39 n GLY 96 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u39 s PHE 97 N -2.16 -0.12 0.02 1.61 -0.71 -1.26 -2.21 117.98 113.15 1u39 s PHE 97 Ca 0.00 0.10 0.01 0.00 -1.04 0.00 0.00 56.93 56.00 1u39 s PHE 97 Cb 0.00 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 1u39 s PHE 97 CO 0.00 -0.18 0.07 0.45 -1.34 0.00 0.00 175.22 174.22 1u39 s SER 98 N -1.98 5.56 -0.04 1.98 0.15 0.34 -4.94 113.70 114.78 1u39 s SER 98 Ca 0.09 0.08 0.03 0.00 0.70 0.00 0.00 55.95 56.85 1u39 s SER 98 Cb -0.01 -1.55 0.01 0.00 -1.71 0.00 0.00 66.02 62.76 1u39 s SER 98 CO -0.04 0.24 -0.11 0.54 1.20 0.00 0.00 173.24 175.07 1u39 s VAL 99 N -1.23 0.94 -0.47 4.45 0.11 -1.26 -2.02 120.40 120.92 1u39 s VAL 99 Ca 0.24 -0.42 0.03 0.00 -2.93 0.00 0.00 61.98 58.89 1u39 s VAL 99 Cb -0.12 -0.85 0.14 0.00 -1.53 0.00 0.00 36.38 34.02 1u39 s VAL 99 CO 0.16 0.29 0.25 -1.58 -3.33 0.00 0.00 175.10 170.90 1u39 s GLN 100 N 0.32 1.50 -1.67 1.54 -0.44 0.19 -4.70 119.66 116.40 1u39 s GLN 100 Ca -0.06 -2.21 0.00 0.00 -2.50 0.00 0.00 55.36 50.58 1u39 s GLN 100 Cb -0.11 -2.61 0.00 0.00 -1.64 0.00 0.00 33.01 28.65 1u39 s GLN 100 CO 0.01 -1.16 0.00 0.09 0.50 0.00 0.00 175.29 174.74 1u39 n ASN 101 N 3.36 -4.78 0.00 6.67 4.13 -1.26 -1.80 115.26 121.58 1u39 n ASN 101 Ca 0.08 0.39 0.00 0.00 1.68 0.00 0.00 54.58 56.73 1u39 n ASN 101 Cb 0.34 -4.10 0.00 0.00 -1.54 0.00 0.00 39.78 34.48 1u39 n ASN 101 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1u39 n GLY 102 N -0.18 3.88 3.71 7.41 0.00 -1.26 -4.48 105.19 114.27 1u39 n GLY 102 Ca -0.16 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1u39 n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u39 s ILE 103 N 0.00 4.52 0.15 -0.61 1.01 -0.74 0.14 121.20 125.66 1u39 s ILE 103 Ca 0.00 1.81 -0.23 0.00 0.00 0.00 0.00 60.65 62.23 1u39 s ILE 103 Cb 0.00 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 38.23 1u39 s ILE 103 CO 0.00 0.13 0.71 -0.63 0.00 0.00 0.00 174.94 175.15 1u39 s ILE 104 N 1.15 4.50 -0.00 2.92 1.09 -1.13 0.52 121.20 130.25 1u39 s ILE 104 Ca 0.55 1.50 -0.00 0.00 -1.10 0.00 0.00 60.65 61.59 1u39 s ILE 104 Cb -0.24 -4.02 -0.00 0.00 -1.06 0.00 0.00 42.46 37.13 1u39 s ILE 104 CO 0.28 0.47 -0.00 0.00 -0.10 0.00 0.00 174.94 175.59 1u39 s SER 106 N -4.34 6.24 -0.15 0.00 0.01 -1.26 -4.78 113.70 109.42 1u39 s SER 106 Ca -0.00 0.40 -0.04 0.00 1.31 0.00 0.00 55.95 57.62 1u39 s SER 106 Cb 0.00 -1.98 0.07 0.00 0.21 0.00 0.00 66.02 64.32 1u39 s SER 106 CO 0.00 0.38 0.18 -0.22 0.41 0.00 0.00 173.24 173.99 1u39 s LEU 107 N -1.20 -0.02 -0.26 2.44 2.96 -1.26 -0.50 118.68 120.84 1u39 s LEU 107 Ca 0.17 -0.08 -0.29 0.00 -0.22 0.00 0.00 54.13 53.71 1u39 s LEU 107 Cb -0.12 0.23 -0.00 0.00 0.50 0.00 0.00 46.19 46.80 1u39 s LEU 107 CO 0.07 -0.30 1.26 -0.04 -1.32 0.00 0.00 176.35 176.01 1u39 s MET 108 N 2.28 4.03 -1.06 1.98 -1.94 -0.94 -4.91 119.30 118.75 1u39 s MET 108 Ca 0.05 1.34 -0.25 0.00 -1.71 0.00 0.00 55.69 55.12 1u39 s MET 108 Cb -0.14 -3.82 -0.17 0.00 2.01 0.00 0.00 34.83 32.70 1u39 s MET 108 CO -0.09 -0.97 1.99 0.54 -0.01 0.00 0.00 175.02 176.48 1u39 n ARG 109 N 7.04 0.86 0.00 2.03 1.74 -1.26 -2.27 116.66 124.80 1u39 n ARG 109 Ca 0.14 -2.03 0.00 0.00 -0.77 0.00 0.00 57.85 55.19 1u39 n ARG 109 Cb 0.46 -3.72 0.00 0.00 -1.02 0.00 0.00 32.46 28.19 1u39 n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u39 n GLY 110 N 5.82 0.36 3.29 -0.13 0.00 -1.26 -5.16 105.19 108.12 1u39 n GLY 110 Ca 0.44 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 1u39 n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u39 n GLY 111 N 0.00 -2.92 0.16 -0.02 0.00 -0.96 -4.90 105.19 96.55 1u39 n GLY 111 Ca 0.00 -1.31 0.13 0.00 0.00 0.00 0.00 46.02 44.84 1u39 n GLY 111 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1u39 h ILE 112 N -3.02 0.00 -0.27 -0.61 5.03 -1.80 -3.23 117.51 113.61 1u39 h ILE 112 Ca -0.49 -0.65 0.06 0.00 -0.12 0.00 0.00 64.86 63.66 1u39 h ILE 112 Cb 1.28 1.62 -0.01 0.00 -3.03 0.00 0.00 36.82 36.68 1u39 h ILE 112 CO 0.35 0.00 0.19 0.00 -0.68 0.00 0.00 178.15 178.01 1u39 h ALA 113 N 2.28 2.15 -0.24 1.87 0.00 -1.91 -1.77 119.26 121.65 1u39 h ALA 113 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1u39 h ALA 113 Cb 0.79 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1u39 h ALA 113 CO 0.00 -0.22 0.08 1.05 0.00 0.00 0.00 179.25 180.16 1u39 h GLU 114 N 0.08 0.37 -0.31 0.00 4.11 -1.87 -3.03 114.58 113.93 1u39 h GLU 114 Ca 0.13 -0.08 0.02 0.00 0.07 0.00 0.00 59.36 59.49 1u39 h GLU 114 Cb 0.40 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1u39 h GLU 114 CO -0.01 0.45 0.17 0.00 0.07 0.00 0.00 179.01 179.68 1u39 h ARG 115 N 0.22 0.34 0.00 1.06 3.08 -1.54 -3.27 114.38 114.27 1u39 h ARG 115 Ca 0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1u39 h ARG 115 Cb 0.23 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1u39 h ARG 115 CO -0.00 0.22 0.00 0.41 -1.07 0.00 0.00 179.97 179.53 1u39 n GLY 116 N -1.19 -2.93 0.00 0.04 0.00 -1.04 -4.71 105.19 95.36 1u39 n GLY 116 Ca -0.01 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1u39 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u39 n GLY 117 N -0.93 0.03 1.72 -0.02 0.00 -1.15 -2.78 105.19 102.05 1u39 n GLY 117 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1u39 n GLY 117 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1u39 n VAL 118 N 0.00 0.56 -3.92 1.61 3.14 -1.18 -4.85 118.33 113.68 1u39 n VAL 118 Ca 0.00 -0.26 -0.19 0.00 -2.96 0.00 0.00 64.34 60.93 1u39 n VAL 118 Cb 0.00 0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 32.61 1u39 n VAL 118 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1u39 s ARG 119 N -0.52 0.46 -0.81 1.45 3.52 -1.26 -4.82 118.95 116.97 1u39 s ARG 119 Ca 0.31 0.07 -0.23 0.00 -0.13 0.00 0.00 55.73 55.75 1u39 s ARG 119 Cb -0.38 -0.68 -0.17 0.00 -1.56 0.00 0.00 34.95 32.16 1u39 s ARG 119 CO 0.31 -0.18 2.38 0.28 -0.81 0.00 0.00 175.30 177.28 1u39 n VAL 120 N 4.45 -0.01 0.00 7.11 0.31 -1.26 -0.13 118.33 128.80 1u39 n VAL 120 Ca -0.20 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.62 1u39 n VAL 120 Cb 0.50 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 1u39 n VAL 120 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u39 n GLY 121 N 6.52 1.41 3.76 2.92 0.00 -0.92 -4.98 105.19 113.90 1u39 n GLY 121 Ca 0.50 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.16 1u39 n GLY 121 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u39 s HIS 122 N -1.87 3.48 -0.99 1.61 4.02 0.81 -3.24 115.29 119.11 1u39 s HIS 122 Ca 0.00 0.49 -0.23 0.00 1.02 0.00 0.00 55.06 56.34 1u39 s HIS 122 Cb 0.00 -2.20 0.04 0.00 -1.02 0.00 0.00 32.58 29.41 1u39 s HIS 122 CO 0.00 0.36 1.47 0.50 1.02 0.00 0.00 174.74 178.09 1u39 s ARG 123 N 0.10 3.50 0.42 1.40 3.52 0.44 -2.83 118.95 125.49 1u39 s ARG 123 Ca 0.13 -1.00 -0.25 0.00 -0.13 0.00 0.00 55.73 54.48 1u39 s ARG 123 Cb -0.12 -5.25 -0.10 0.00 -1.56 0.00 0.00 34.95 27.91 1u39 s ARG 123 CO 0.02 -2.27 1.11 -0.89 -0.81 0.00 0.00 175.30 172.46 1u39 n ILE 124 N 6.91 2.48 0.00 4.11 5.41 0.36 -2.19 119.36 136.44 1u39 n ILE 124 Ca 0.31 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1u39 n ILE 124 Cb 0.51 -1.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 1u39 n ILE 124 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1u39 n ILE 125 N -0.36 0.00 -2.27 1.39 -5.35 0.68 -3.95 119.36 109.50 1u39 n ILE 125 Ca 0.08 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.22 1u39 n ILE 125 Cb 0.39 -0.04 -0.04 0.00 -1.74 0.00 0.00 39.64 38.22 1u39 n ILE 125 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1u39 s GLU 126 N 0.00 3.08 -0.93 6.28 2.02 -1.06 0.84 118.70 128.94 1u39 s GLU 126 Ca 0.00 -1.40 -0.23 0.00 0.02 0.00 0.00 54.97 53.36 1u39 s GLU 126 Cb 0.00 -5.34 0.07 0.00 0.10 0.00 0.00 34.13 28.95 1u39 s GLU 126 CO 0.00 -3.24 1.32 0.42 0.02 0.00 0.00 175.26 173.77 1u39 s ILE 127 N 8.25 4.09 -2.06 -1.63 1.01 0.13 -1.15 121.20 129.84 1u39 s ILE 127 Ca 0.62 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1u39 s ILE 127 Cb 0.01 -4.95 0.00 0.00 0.01 0.00 0.00 42.46 37.53 1u39 s ILE 127 CO 0.09 -1.80 0.00 -3.20 0.00 0.00 0.00 174.94 170.03 1u39 n ASN 128 N 8.39 -5.28 0.00 3.58 2.85 0.40 -1.33 115.26 123.87 1u39 n ASN 128 Ca 0.23 0.44 0.00 0.00 -0.11 0.00 0.00 54.58 55.14 1u39 n ASN 128 Cb 0.50 -4.65 0.00 0.00 1.24 0.00 0.00 39.78 36.87 1u39 n ASN 128 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1u39 n GLY 129 N -0.44 2.15 3.52 8.20 0.00 -1.26 -5.05 105.19 112.32 1u39 n GLY 129 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1u39 n GLY 129 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u39 s GLN 130 N -0.05 3.34 -0.79 1.61 2.00 -0.44 -4.98 119.66 120.35 1u39 s GLN 130 Ca 0.00 -0.46 -0.26 0.00 -2.00 0.00 0.00 55.36 52.65 1u39 s GLN 130 Cb 0.00 -3.90 0.01 0.00 0.80 0.00 0.00 33.01 29.92 1u39 s GLN 130 CO 0.00 -0.79 1.54 -1.54 -0.50 0.00 0.00 175.29 174.00 1u39 s SER 131 N 1.83 5.89 0.00 6.67 1.04 -1.23 0.17 113.70 128.08 1u39 s SER 131 Ca 0.16 -0.52 0.24 0.00 0.48 0.00 0.00 55.95 56.31 1u39 s SER 131 Cb -0.16 -2.55 1.35 0.00 0.10 0.00 0.00 66.02 64.76 1u39 s SER 131 CO 0.15 -2.01 1.88 1.33 0.98 0.00 0.00 173.24 175.56 1u39 n VAL 132 N 6.89 0.01 -0.32 5.02 0.24 0.25 -4.15 118.33 126.28 1u39 n VAL 132 Ca 0.19 -0.03 0.19 0.00 -2.04 0.00 0.00 64.34 62.64 1u39 n VAL 132 Cb 0.50 -0.28 0.38 0.00 -1.47 0.00 0.00 33.84 32.97 1u39 n VAL 132 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 1u39 h VAL 133 N 0.24 0.26 -0.17 3.34 3.04 -1.73 0.24 116.25 121.47 1u39 h VAL 133 Ca 0.00 -0.08 -0.09 0.00 -1.01 0.00 0.00 66.70 65.53 1u39 h VAL 133 Cb 0.05 0.02 -0.05 0.00 -2.01 0.00 0.00 31.29 29.30 1u39 h VAL 133 CO 0.00 0.04 -0.29 0.00 -1.01 0.00 0.00 177.57 176.31 1u39 n ALA 134 N -2.54 3.96 -2.54 3.17 0.00 -1.26 -4.88 120.51 116.42 1u39 n ALA 134 Ca 0.27 -3.22 -0.33 0.00 0.00 0.00 0.00 53.44 50.15 1u39 n ALA 134 Cb 0.85 -0.54 -0.12 0.00 0.00 0.00 0.00 19.45 19.64 1u39 n ALA 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u39 s THR 135 N -3.24 3.45 1.03 0.00 2.01 0.84 -5.11 115.64 114.61 1u39 s THR 135 Ca 0.41 -0.59 -0.14 0.00 0.31 0.00 0.00 61.69 61.68 1u39 s THR 135 Cb 0.39 -2.39 0.11 0.00 0.01 0.00 0.00 72.50 70.62 1u39 s THR 135 CO -0.04 0.59 0.47 -0.81 -0.69 0.00 0.00 174.62 174.14 1u39 n PRO 136 N 2.23 -1.03 -0.06 4.92 -0.04 -1.26 -4.22 135.00 135.53 1u39 n PRO 136 Ca -0.18 -0.26 -0.12 0.00 -0.04 0.00 0.00 63.50 62.90 1u39 n PRO 136 Cb 0.53 -1.93 -0.06 0.00 -0.04 0.00 0.00 33.50 32.00 1u39 n PRO 136 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1u39 h HIS 137 N -1.93 0.39 -0.83 0.54 2.07 -1.91 -3.06 115.15 110.43 1u39 h HIS 137 Ca -0.49 -0.08 0.16 0.00 -2.85 0.00 0.00 60.37 57.10 1u39 h HIS 137 Cb 1.31 -0.10 -0.06 0.00 2.57 0.00 0.00 27.41 31.14 1u39 h HIS 137 CO 0.32 0.61 0.55 1.49 -3.07 0.00 0.00 177.93 177.82 1u39 h GLU 138 N 0.06 0.47 -0.07 5.12 4.22 -1.92 -1.58 114.58 120.89 1u39 h GLU 138 Ca 0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 1u39 h GLU 138 Cb 0.49 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1u39 h GLU 138 CO 0.02 0.31 0.01 -0.22 -2.18 0.00 0.00 179.01 176.95 1u39 h LYS 139 N 0.49 0.12 -0.43 1.92 3.11 -1.89 -1.38 116.57 118.50 1u39 h LYS 139 Ca 0.42 -0.03 0.02 0.00 -2.81 0.00 0.00 60.65 58.25 1u39 h LYS 139 Cb 0.89 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 32.08 1u39 h LYS 139 CO -0.16 0.35 0.24 0.82 -2.81 0.00 0.00 179.45 177.89 1u39 h ILE 140 N -0.13 1.02 -0.23 2.00 2.04 -1.27 -0.71 117.51 120.24 1u39 h ILE 140 Ca 0.02 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1u39 h ILE 140 Cb 0.29 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1u39 h ILE 140 CO 0.00 0.09 0.13 0.58 0.00 0.00 0.00 178.15 178.95 1u39 h VAL 141 N 0.49 1.07 0.29 1.67 2.07 -1.28 -2.50 116.25 118.06 1u39 h VAL 141 Ca 0.18 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1u39 h VAL 141 Cb 0.04 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1u39 h VAL 141 CO -0.09 0.08 -0.14 -0.74 0.02 0.00 0.00 177.57 176.69 1u39 h HIS 142 N 0.31 -0.36 0.14 1.57 6.17 0.03 0.86 115.15 123.86 1u39 h HIS 142 Ca 0.08 -0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.17 1u39 h HIS 142 Cb 0.00 0.12 -0.04 0.00 2.52 0.00 0.00 27.41 30.01 1u39 h HIS 142 CO 0.00 -0.20 -0.39 0.82 0.71 0.00 0.00 177.93 178.87 1u39 h ILE 143 N -0.42 0.20 -0.02 6.26 5.03 -1.01 0.24 117.51 127.78 1u39 h ILE 143 Ca -0.04 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.69 1u39 h ILE 143 Cb 0.32 0.20 -0.00 0.00 -3.03 0.00 0.00 36.82 34.31 1u39 h ILE 143 CO 0.07 0.00 -0.03 -0.07 -0.68 0.00 0.00 178.15 177.43 1u39 h LEU 144 N -0.64 0.03 -1.32 1.44 3.38 -1.40 1.21 115.31 118.01 1u39 h LEU 144 Ca 0.02 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1u39 h LEU 144 Cb 0.66 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1u39 h LEU 144 CO -0.22 0.07 -0.30 0.28 0.09 0.00 0.00 178.44 178.36 1u39 h SER 145 N 0.03 0.00 -0.16 -0.43 0.02 0.27 -3.12 113.55 110.16 1u39 h SER 145 Ca 0.01 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1u39 h SER 145 Cb 0.08 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.40 1u39 h SER 145 CO 0.00 0.30 -0.77 0.59 -1.14 0.00 0.00 176.83 175.81 1u39 n ASN 146 N -3.75 2.00 -3.13 3.07 5.03 0.67 -4.88 115.26 114.28 1u39 n ASN 146 Ca -0.01 -3.14 -0.28 0.00 0.87 0.00 0.00 54.58 52.02 1u39 n ASN 146 Cb 0.40 -0.43 -0.05 0.00 -1.02 0.00 0.00 39.78 38.68 1u39 n ASN 146 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1u39 n ALA 147 N -0.53 4.53 -1.00 5.41 0.00 0.39 -4.95 120.51 124.36 1u39 n ALA 147 Ca 0.18 -4.73 0.00 0.00 0.00 0.00 0.00 53.44 48.89 1u39 n ALA 147 Cb 0.88 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1u39 n ALA 147 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1u39 n VAL 148 N 0.14 0.00 0.00 0.00 3.14 -1.26 -4.12 118.33 116.22 1u39 n VAL 148 Ca 0.31 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.69 1u39 n VAL 148 Cb 0.39 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 1u39 n VAL 148 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1u39 n GLY 149 N 0.03 1.35 2.75 7.55 0.00 -0.47 -3.95 105.19 112.45 1u39 n GLY 149 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 1u39 n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u39 s GLU 150 N 0.00 0.76 -0.21 1.61 0.41 -1.26 0.11 118.70 120.12 1u39 s GLU 150 Ca 0.00 -1.12 -0.28 0.00 -0.41 0.00 0.00 54.97 53.16 1u39 s GLU 150 Cb 0.00 -2.07 -0.04 0.00 -1.78 0.00 0.00 34.13 30.24 1u39 s GLU 150 CO 0.00 -0.98 2.03 0.42 -0.49 0.00 0.00 175.26 176.24 1u39 s ILE 151 N 1.57 3.19 -0.25 -1.63 1.01 0.16 -4.84 121.20 120.41 1u39 s ILE 151 Ca 0.10 0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.80 1u39 s ILE 151 Cb -0.17 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1u39 s ILE 151 CO -0.24 -0.13 0.37 -2.28 0.00 0.00 0.00 174.94 172.66 1u39 s HIS 152 N 7.19 3.28 0.17 3.97 2.46 -1.26 -0.46 115.29 130.63 1u39 s HIS 152 Ca 0.91 0.45 0.00 0.00 0.47 0.00 0.00 55.06 56.89 1u39 s HIS 152 Cb -0.31 -2.55 -0.04 0.00 -0.13 0.00 0.00 32.58 29.55 1u39 s HIS 152 CO 0.35 -0.17 0.06 -1.64 -2.47 0.00 0.00 174.74 170.87 1u39 s MET 153 N 1.87 1.09 -0.06 2.88 -1.94 0.12 0.15 119.30 123.41 1u39 s MET 153 Ca 0.16 -1.54 -0.03 0.00 -1.71 0.00 0.00 55.69 52.56 1u39 s MET 153 Cb -0.15 0.03 0.03 0.00 2.01 0.00 0.00 34.83 36.75 1u39 s MET 153 CO 0.09 -0.25 0.14 0.15 -0.01 0.00 0.00 175.02 175.14 1u39 s LYS 154 N -4.03 0.10 0.08 2.03 1.02 -0.30 0.38 119.74 119.03 1u39 s LYS 154 Ca 0.28 0.32 -0.00 0.00 0.02 0.00 0.00 55.97 56.59 1u39 s LYS 154 Cb 0.07 -0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.21 1u39 s LYS 154 CO 0.06 -0.13 -0.02 0.95 -0.92 0.00 0.00 175.35 175.28 1u39 s THR 155 N 0.93 0.35 0.10 2.17 -4.23 -0.20 -0.23 115.64 114.53 1u39 s THR 155 Ca -0.07 -1.87 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1u39 s THR 155 Cb -0.09 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 1u39 s THR 155 CO -0.05 -0.84 -0.07 0.00 -0.54 0.00 0.00 174.62 173.13 1u39 s MET 156 N -3.92 0.85 -0.03 3.99 0.23 -0.93 -1.94 119.30 117.55 1u39 s MET 156 Ca 0.12 -1.34 -0.30 0.00 -1.03 0.00 0.00 55.69 53.15 1u39 s MET 156 Cb 0.07 -0.23 -0.08 0.00 -1.53 0.00 0.00 34.83 33.07 1u39 s MET 156 CO -0.06 -0.01 1.94 -1.25 -2.03 0.00 0.00 175.02 173.61 1u39 s PRO 157 N -3.83 3.99 0.00 3.16 0.04 -1.26 0.17 135.00 137.26 1u39 s PRO 157 Ca 0.12 2.42 0.30 0.00 0.04 0.00 0.00 61.00 63.89 1u39 s PRO 157 Cb 0.05 -4.16 1.56 0.00 0.04 0.00 0.00 34.50 31.99 1u39 s PRO 157 CO -0.04 -1.12 2.03 0.00 0.04 0.00 0.00 177.00 177.91