#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 3.48 0.32 0.54 0.02 -1.26 -4.97 135.00 133.14 1u39 s PRO 80 Ca 0.00 2.15 -0.24 0.00 0.02 0.00 0.00 61.00 62.93 1u39 s PRO 80 Cb 0.00 -4.28 -0.10 0.00 0.02 0.00 0.00 34.50 30.14 1u39 s PRO 80 CO 0.00 -1.70 0.89 0.54 -0.33 0.00 0.00 177.00 176.40 1u39 s VAL 81 N 6.89 4.33 0.01 3.83 0.11 -1.26 -4.97 120.40 129.34 1u39 s VAL 81 Ca 0.94 1.63 -0.00 0.00 -2.93 0.00 0.00 61.98 61.62 1u39 s VAL 81 Cb -0.35 -3.90 -0.04 0.00 -1.53 0.00 0.00 36.38 30.56 1u39 s VAL 81 CO 0.37 0.07 0.09 -0.89 -3.33 0.00 0.00 175.10 171.40 1u39 s THR 82 N -1.70 4.74 -0.32 5.04 2.01 -0.94 -4.94 115.64 119.52 1u39 s THR 82 Ca 0.51 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 62.01 1u39 s THR 82 Cb -0.16 -3.19 0.03 0.00 0.01 0.00 0.00 72.50 69.19 1u39 s THR 82 CO 0.21 0.32 0.08 -0.89 -0.69 0.00 0.00 174.62 173.65 1u39 s THR 83 N -1.23 3.68 -0.54 -0.82 2.01 -1.26 -0.56 115.64 116.93 1u39 s THR 83 Ca 0.24 -1.08 -0.24 0.00 0.31 0.00 0.00 61.69 60.92 1u39 s THR 83 Cb -0.12 -3.05 0.04 0.00 0.01 0.00 0.00 72.50 69.38 1u39 s THR 83 CO 0.15 -0.11 0.93 -0.69 -0.69 0.00 0.00 174.62 174.22 1u39 s VAL 84 N 1.40 4.41 -0.96 3.82 1.01 0.19 -4.23 120.40 126.05 1u39 s VAL 84 Ca -0.01 0.35 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 1u39 s VAL 84 Cb -0.19 -4.52 0.24 0.00 0.00 0.00 0.00 36.38 31.91 1u39 s VAL 84 CO 0.02 -1.06 0.88 -0.22 0.00 0.00 0.00 175.10 174.72 1u39 s LEU 85 N 3.90 5.88 0.22 3.92 0.20 -1.12 -1.55 118.68 130.13 1u39 s LEU 85 Ca 0.31 -3.58 -0.28 0.00 0.69 0.00 0.00 54.13 51.27 1u39 s LEU 85 Cb -0.12 -2.03 -0.09 0.00 -0.43 0.00 0.00 46.19 43.52 1u39 s LEU 85 CO 0.20 -0.25 0.88 -0.63 -0.29 0.00 0.00 176.35 176.27 1u39 s ILE 86 N -1.18 4.18 0.00 6.68 1.01 -0.19 -2.98 121.20 128.74 1u39 s ILE 86 Ca 0.28 1.94 -0.04 0.00 0.00 0.00 0.00 60.65 62.83 1u39 s ILE 86 Cb -0.09 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 1u39 s ILE 86 CO -0.10 0.49 0.22 -0.13 0.00 0.00 0.00 174.94 175.42 1u39 s ARG 87 N -1.21 3.49 -0.27 2.79 0.52 -1.26 0.19 118.95 123.21 1u39 s ARG 87 Ca 0.40 -0.23 -0.04 0.00 -0.52 0.00 0.00 55.73 55.33 1u39 s ARG 87 Cb -0.25 -3.08 0.09 0.00 0.52 0.00 0.00 34.95 32.24 1u39 s ARG 87 CO 0.30 0.66 0.12 1.03 0.02 0.00 0.00 175.30 177.42 1u39 s ARG 88 N -1.93 0.23 0.10 3.54 0.52 0.20 -4.76 118.95 116.85 1u39 s ARG 88 Ca 0.28 -0.49 -0.31 0.00 -0.52 0.00 0.00 55.73 54.69 1u39 s ARG 88 Cb -0.13 -1.39 -0.12 0.00 0.52 0.00 0.00 34.95 33.82 1u39 s ARG 88 CO 0.18 -0.94 1.60 -1.35 0.02 0.00 0.00 175.30 174.82 1u39 h PRO 89 N 8.38 -0.70 0.00 3.54 0.11 -1.97 -2.62 132.00 138.73 1u39 h PRO 89 Ca -0.18 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1u39 h PRO 89 Cb 1.04 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1u39 h PRO 89 CO 0.41 -0.47 0.00 -3.47 -0.21 0.00 0.00 178.00 174.26 1u39 n ASP 90 N -5.47 0.02 0.04 -2.05 2.03 -1.26 -4.82 116.55 105.04 1u39 n ASP 90 Ca -0.09 -0.87 -0.09 0.00 0.52 0.00 0.00 54.79 54.26 1u39 n ASP 90 Cb 0.37 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.65 1u39 n ASP 90 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1u39 h LEU 91 N 0.00 0.06 -0.18 -2.67 4.07 -1.98 -3.26 115.31 111.35 1u39 h LEU 91 Ca 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1u39 h LEU 91 Cb 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1u39 h LEU 91 CO 0.00 1.06 0.00 -2.11 -1.08 0.00 0.00 178.44 176.31 1u39 n ARG 92 N -3.28 0.04 -2.09 1.13 -4.01 -1.26 -4.74 116.66 102.44 1u39 n ARG 92 Ca -0.07 0.33 -0.28 0.00 -1.04 0.00 0.00 57.85 56.79 1u39 n ARG 92 Cb 0.99 -1.58 0.17 0.00 -3.04 0.00 0.00 32.46 28.99 1u39 n ARG 92 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 1u39 s TYR 93 N -3.08 1.55 0.16 2.89 1.51 -1.23 -5.11 117.35 114.04 1u39 s TYR 93 Ca 0.05 0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.28 1u39 s TYR 93 Cb 0.08 -3.86 -0.04 0.00 -0.11 0.00 0.00 41.96 38.02 1u39 s TYR 93 CO 0.25 -2.45 0.02 -0.65 -1.11 0.00 0.00 175.55 171.61 1u39 s GLN 94 N -5.72 1.05 -0.04 -0.62 1.11 -1.26 -5.01 119.66 109.17 1u39 s GLN 94 Ca 0.72 -1.51 -0.14 0.00 0.01 0.00 0.00 55.36 54.45 1u39 s GLN 94 Cb -0.04 -0.09 -0.08 0.00 -1.01 0.00 0.00 33.01 31.79 1u39 s GLN 94 CO 0.51 -0.18 0.58 -0.07 0.01 0.00 0.00 175.29 176.15 1u39 h LEU 95 N 2.75 -0.43 0.00 2.90 -0.00 -1.94 -3.42 115.31 115.17 1u39 h LEU 95 Ca -0.36 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 1u39 h LEU 95 Cb 1.20 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 1u39 h LEU 95 CO 0.62 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.67 1u39 n GLY 96 N 0.49 1.54 3.83 0.83 0.00 -1.26 -2.57 105.19 108.05 1u39 n GLY 96 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.86 -0.01 -0.01 1.61 -0.71 -1.26 -2.07 117.98 113.67 1u39 s PHE 97 Ca 0.00 -0.56 0.07 0.00 -1.04 0.00 0.00 56.93 55.40 1u39 s PHE 97 Cb 0.00 0.78 -0.02 0.00 -1.21 0.00 0.00 43.02 42.57 1u39 s PHE 97 CO 0.00 -1.40 -0.23 -1.12 -1.34 0.00 0.00 175.22 171.13 1u39 s SER 98 N -3.02 3.34 -0.10 1.98 0.01 -0.67 -4.98 113.70 110.26 1u39 s SER 98 Ca 0.14 -0.43 -0.01 0.00 1.31 0.00 0.00 55.95 56.96 1u39 s SER 98 Cb -0.05 -0.46 -0.03 0.00 0.21 0.00 0.00 66.02 65.69 1u39 s SER 98 CO 0.09 0.31 -0.06 0.54 0.41 0.00 0.00 173.24 174.53 1u39 s VAL 99 N -0.70 3.77 -0.46 3.43 0.11 -1.26 -2.04 120.40 123.24 1u39 s VAL 99 Ca 0.11 -0.43 0.03 0.00 -2.93 0.00 0.00 61.98 58.75 1u39 s VAL 99 Cb -0.10 -2.58 0.13 0.00 -1.53 0.00 0.00 36.38 32.30 1u39 s VAL 99 CO 0.00 0.56 0.25 -1.58 -3.33 0.00 0.00 175.10 171.00 1u39 s GLN 100 N -0.35 1.49 -0.43 1.54 -0.44 0.18 -4.77 119.66 116.88 1u39 s GLN 100 Ca 0.05 -2.19 0.00 0.00 -2.50 0.00 0.00 55.36 50.72 1u39 s GLN 100 Cb -0.12 -2.62 0.00 0.00 -1.64 0.00 0.00 33.01 28.63 1u39 s GLN 100 CO 0.02 -1.15 0.00 0.09 0.50 0.00 0.00 175.29 174.75 1u39 n ASN 101 N 3.40 -5.57 0.00 6.67 4.13 -1.26 -1.88 115.26 120.75 1u39 n ASN 101 Ca 0.08 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.44 1u39 n ASN 101 Cb 0.34 -3.43 0.00 0.00 -1.54 0.00 0.00 39.78 35.15 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 0.28 3.21 3.73 7.41 0.00 -1.26 -4.63 105.19 113.92 1u39 n GLY 102 Ca -0.04 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.12 4.32 0.06 -0.61 1.01 -0.79 0.40 121.20 125.46 1u39 s ILE 103 Ca 0.00 1.99 -0.16 0.00 0.00 0.00 0.00 60.65 62.49 1u39 s ILE 103 Cb 0.00 -4.27 -0.06 0.00 0.01 0.00 0.00 42.46 38.14 1u39 s ILE 103 CO 0.00 0.34 0.48 -0.63 0.00 0.00 0.00 174.94 175.13 1u39 s ILE 104 N -0.23 4.91 0.00 2.92 1.09 -0.79 0.51 121.20 129.61 1u39 s ILE 104 Ca 0.46 0.93 0.00 0.00 -1.10 0.00 0.00 60.65 60.94 1u39 s ILE 104 Cb -0.25 -3.77 0.00 0.00 -1.06 0.00 0.00 42.46 37.38 1u39 s ILE 104 CO 0.31 0.49 0.00 0.00 -0.10 0.00 0.00 174.94 175.64 1u39 s SER 106 N 0.68 7.44 -0.25 0.00 0.01 -1.26 -4.75 113.70 115.56 1u39 s SER 106 Ca 0.00 2.09 -0.09 0.00 1.31 0.00 0.00 55.95 59.26 1u39 s SER 106 Cb 0.00 -2.61 0.11 0.00 0.21 0.00 0.00 66.02 63.72 1u39 s SER 106 CO 0.00 -0.02 0.55 -0.22 0.41 0.00 0.00 173.24 173.95 1u39 s LEU 107 N -1.12 -0.89 -0.12 2.44 0.20 -1.26 -1.67 118.68 116.25 1u39 s LEU 107 Ca 0.44 1.30 -0.19 0.00 0.69 0.00 0.00 54.13 56.37 1u39 s LEU 107 Cb -0.29 1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 47.31 1u39 s LEU 107 CO 0.36 -0.23 0.53 -0.04 -0.29 0.00 0.00 176.35 176.68 1u39 s MET 108 N 2.68 4.33 -0.92 1.98 -1.94 -0.88 -4.96 119.30 119.58 1u39 s MET 108 Ca -0.04 0.53 -0.25 0.00 -1.71 0.00 0.00 55.69 54.22 1u39 s MET 108 Cb -0.12 -3.46 -0.18 0.00 2.01 0.00 0.00 34.83 33.08 1u39 s MET 108 CO -0.16 0.09 1.93 0.54 -0.01 0.00 0.00 175.02 177.41 1u39 n ARG 109 N 3.89 0.99 0.00 2.03 3.00 -1.26 -2.38 116.66 122.93 1u39 n ARG 109 Ca -0.05 -1.96 0.00 0.00 -0.01 0.00 0.00 57.85 55.83 1u39 n ARG 109 Cb 0.51 -3.46 0.00 0.00 0.00 0.00 0.00 32.46 29.51 1u39 n ARG 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1u39 n GLY 110 N 5.52 0.11 3.31 -0.13 0.00 -1.26 -5.15 105.19 107.59 1u39 n GLY 110 Ca 0.45 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.52 0.17 -0.02 0.00 -1.00 -4.89 105.19 96.93 1u39 n GLY 111 Ca 0.00 -1.02 0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.52 0.00 -0.23 -0.61 5.03 -1.75 -3.22 117.51 114.22 1u39 h ILE 112 Ca -0.54 -0.71 0.05 0.00 -0.12 0.00 0.00 64.86 63.54 1u39 h ILE 112 Cb 1.30 1.69 -0.01 0.00 -3.03 0.00 0.00 36.82 36.78 1u39 h ILE 112 CO 0.39 0.00 0.16 0.00 -0.68 0.00 0.00 178.15 178.02 1u39 h ALA 113 N 2.22 2.09 -0.43 1.87 0.00 -1.86 -1.59 119.26 121.57 1u39 h ALA 113 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u39 h ALA 113 Cb 0.82 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1u39 h ALA 113 CO 0.00 -0.14 0.29 1.05 0.00 0.00 0.00 179.25 180.45 1u39 h GLU 114 N 0.10 0.57 -0.08 0.00 4.11 -1.83 -2.78 114.58 114.67 1u39 h GLU 114 Ca 0.10 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 1u39 h GLU 114 Cb 0.28 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1u39 h GLU 114 CO -0.01 0.38 0.03 0.00 0.07 0.00 0.00 179.01 179.48 1u39 h ARG 115 N 0.59 0.11 0.00 1.06 2.47 -1.51 -3.32 114.38 113.78 1u39 h ARG 115 Ca 0.16 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1u39 h ARG 115 Cb -0.07 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 1u39 h ARG 115 CO -0.03 0.22 0.00 0.41 0.56 0.00 0.00 179.97 181.13 1u39 n GLY 116 N -0.72 -3.04 0.00 0.04 0.00 -1.05 -4.71 105.19 95.71 1u39 n GLY 116 Ca -0.06 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.90 0.00 1.18 -0.02 0.00 -1.06 -2.78 105.19 101.61 1u39 n GLY 117 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1u39 n GLY 117 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u39 n VAL 118 N -0.04 0.00 -4.04 1.61 0.31 -1.16 -4.89 118.33 110.13 1u39 n VAL 118 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1u39 n VAL 118 Cb 0.00 -0.10 -0.16 0.00 -0.91 0.00 0.00 33.84 32.67 1u39 n VAL 118 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1u39 s ARG 119 N 0.61 2.39 -0.81 5.55 0.52 -1.26 -4.68 118.95 121.26 1u39 s ARG 119 Ca 0.32 -0.71 -0.22 0.00 -0.52 0.00 0.00 55.73 54.60 1u39 s ARG 119 Cb -0.46 -2.31 -0.19 0.00 0.52 0.00 0.00 34.95 32.52 1u39 s ARG 119 CO 0.23 -0.29 2.38 0.28 0.02 0.00 0.00 175.30 177.93 1u39 n VAL 120 N 4.71 -0.02 0.00 3.52 0.31 -1.26 -1.87 118.33 123.71 1u39 n VAL 120 Ca -0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 1u39 n VAL 120 Cb 0.49 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 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 6.27 1.04 3.22 2.92 0.00 -1.22 -5.05 105.19 112.37 1u39 n GLY 121 Ca 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.72 1.20 -0.01 1.61 4.02 -0.78 -4.59 115.29 115.01 1u39 s HIS 122 Ca 0.00 -1.31 0.01 0.00 1.02 0.00 0.00 55.06 54.78 1u39 s HIS 122 Cb 0.00 -0.62 -0.03 0.00 -1.02 0.00 0.00 32.58 30.91 1u39 s HIS 122 CO 0.00 -0.55 -0.01 0.50 1.02 0.00 0.00 174.74 175.69 1u39 s ARG 123 N -4.11 2.76 0.16 1.40 3.52 0.32 -1.89 118.95 121.11 1u39 s ARG 123 Ca 0.36 -0.61 0.03 0.00 -0.13 0.00 0.00 55.73 55.39 1u39 s ARG 123 Cb 0.07 -2.65 -0.04 0.00 -1.56 0.00 0.00 34.95 30.78 1u39 s ARG 123 CO 0.11 0.63 0.26 0.42 -0.81 0.00 0.00 175.30 175.91 1u39 s ILE 124 N -1.03 5.13 0.00 4.11 1.01 0.16 0.15 121.20 130.73 1u39 s ILE 124 Ca 0.18 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1u39 s ILE 124 Cb -0.11 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.71 1u39 s ILE 124 CO 0.08 -0.12 0.00 2.30 0.00 0.00 0.00 174.94 177.21 1u39 n ILE 125 N -0.57 0.00 -2.56 2.92 -5.35 -0.22 -4.02 119.36 109.55 1u39 n ILE 125 Ca -0.07 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 61.99 1u39 n ILE 125 Cb 0.54 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.43 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 3.76 -0.57 6.28 2.02 -1.24 0.11 118.70 129.06 1u39 s GLU 126 Ca 0.00 -1.52 -0.21 0.00 0.02 0.00 0.00 54.97 53.26 1u39 s GLU 126 Cb 0.00 -5.44 0.07 0.00 0.10 0.00 0.00 34.13 28.85 1u39 s GLU 126 CO 0.00 -2.25 0.79 0.42 0.02 0.00 0.00 175.26 174.24 1u39 s ILE 127 N 4.70 4.63 -1.56 -1.63 1.01 0.12 -1.18 121.20 127.29 1u39 s ILE 127 Ca 0.50 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1u39 s ILE 127 Cb 0.02 -4.47 0.00 0.00 0.01 0.00 0.00 42.46 38.01 1u39 s ILE 127 CO -0.02 -1.08 0.00 0.59 0.00 0.00 0.00 174.94 174.44 1u39 n ASN 128 N 6.83 -4.63 0.00 3.58 3.02 0.37 -0.45 115.26 123.98 1u39 n ASN 128 Ca -0.05 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1u39 n ASN 128 Cb 0.45 -4.02 0.00 0.00 -0.61 0.00 0.00 39.78 35.60 1u39 n ASN 128 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u39 n GLY 129 N -0.63 1.53 3.53 7.41 0.00 -1.26 -5.06 105.19 110.71 1u39 n GLY 129 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.62 3.47 -0.95 1.61 0.74 0.40 -5.00 119.66 119.31 1u39 s GLN 130 Ca 0.00 -0.42 -0.24 0.00 0.05 0.00 0.00 55.36 54.76 1u39 s GLN 130 Cb 0.00 -3.84 0.03 0.00 1.10 0.00 0.00 33.01 30.29 1u39 s GLN 130 CO 0.00 -0.64 1.55 -1.12 -0.55 0.00 0.00 175.29 174.53 1u39 s SER 131 N 1.76 6.14 0.00 6.67 0.01 -1.24 0.15 113.70 127.20 1u39 s SER 131 Ca 0.14 -1.12 0.24 0.00 1.31 0.00 0.00 55.95 56.52 1u39 s SER 131 Cb -0.16 -2.57 1.34 0.00 0.21 0.00 0.00 66.02 64.84 1u39 s SER 131 CO 0.13 -1.83 1.80 1.33 0.41 0.00 0.00 173.24 175.08 1u39 n VAL 132 N 7.05 0.12 -0.35 3.43 0.24 0.30 -3.82 118.33 125.30 1u39 n VAL 132 Ca 0.31 0.03 0.24 0.00 -2.04 0.00 0.00 64.34 62.88 1u39 n VAL 132 Cb 0.50 -0.64 0.50 0.00 -1.47 0.00 0.00 33.84 32.72 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 0.00 0.38 -0.11 3.34 3.04 -1.70 0.31 116.25 121.51 1u39 h VAL 133 Ca 0.00 -0.12 -0.05 0.00 -1.01 0.00 0.00 66.70 65.51 1u39 h VAL 133 Cb 0.10 -0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 29.34 1u39 h VAL 133 CO 0.00 0.06 -0.31 0.00 -1.01 0.00 0.00 177.57 176.32 1u39 n ALA 134 N -2.38 3.70 -2.56 3.17 0.00 -1.25 -4.94 120.51 116.24 1u39 n ALA 134 Ca 0.30 -3.16 -0.33 0.00 0.00 0.00 0.00 53.44 50.25 1u39 n ALA 134 Cb 0.98 -0.48 -0.11 0.00 0.00 0.00 0.00 19.45 19.84 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 -3.19 3.54 1.03 0.00 2.01 0.11 -5.11 115.64 114.01 1u39 s THR 135 Ca 0.39 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.57 1u39 s THR 135 Cb 0.37 -2.48 0.06 0.00 0.01 0.00 0.00 72.50 70.47 1u39 s THR 135 CO -0.03 0.51 0.19 -0.81 -0.69 0.00 0.00 174.62 173.78 1u39 n PRO 136 N 1.94 -0.85 -0.04 4.92 -0.04 -1.26 -4.57 135.00 135.10 1u39 n PRO 136 Ca -0.17 -0.22 -0.13 0.00 -0.04 0.00 0.00 63.50 62.94 1u39 n PRO 136 Cb 0.53 -1.76 -0.08 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.76 0.27 -0.60 0.54 2.07 -1.89 -3.13 115.15 110.64 1u39 h HIS 137 Ca -0.48 -0.09 0.12 0.00 -2.85 0.00 0.00 60.37 57.08 1u39 h HIS 137 Cb 1.32 -0.05 -0.03 0.00 2.57 0.00 0.00 27.41 31.21 1u39 h HIS 137 CO 0.28 0.68 0.41 1.05 -3.07 0.00 0.00 177.93 177.28 1u39 h GLU 138 N -0.23 0.28 0.02 5.12 4.11 -1.92 -1.85 114.58 120.12 1u39 h GLU 138 Ca 0.01 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1u39 h GLU 138 Cb 0.65 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1u39 h GLU 138 CO 0.03 0.19 -0.01 0.87 0.07 0.00 0.00 179.01 180.15 1u39 h LYS 139 N 0.29 -0.03 -0.68 1.06 1.79 -1.90 -1.50 116.57 115.60 1u39 h LYS 139 Ca 0.28 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.78 1u39 h LYS 139 Cb 0.71 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.33 1u39 h LYS 139 CO -0.07 0.23 0.43 0.82 -1.08 0.00 0.00 179.45 179.78 1u39 h ILE 140 N -0.28 1.09 -0.27 1.86 2.04 -1.31 -0.84 117.51 119.79 1u39 h ILE 140 Ca -0.00 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1u39 h ILE 140 Cb 0.27 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1u39 h ILE 140 CO 0.00 0.15 0.10 0.58 0.00 0.00 0.00 178.15 178.99 1u39 h VAL 141 N 0.84 1.11 0.31 1.67 2.07 -1.28 -2.60 116.25 118.37 1u39 h VAL 141 Ca 0.27 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1u39 h VAL 141 Cb 0.02 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1u39 h VAL 141 CO -0.11 0.13 -0.15 0.45 0.02 0.00 0.00 177.57 177.92 1u39 h HIS 142 N 0.38 -0.38 0.13 1.57 3.86 -0.07 0.80 115.15 121.44 1u39 h HIS 142 Ca 0.09 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.31 1u39 h HIS 142 Cb 0.09 0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 1u39 h HIS 142 CO 0.00 -0.15 -0.40 0.82 0.86 0.00 0.00 177.93 179.06 1u39 h ILE 143 N -0.55 0.18 -0.00 2.45 5.03 -1.19 0.26 117.51 123.69 1u39 h ILE 143 Ca -0.04 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.68 1u39 h ILE 143 Cb 0.40 0.18 -0.00 0.00 -3.03 0.00 0.00 36.82 34.37 1u39 h ILE 143 CO 0.07 0.00 -0.11 -0.07 -0.68 0.00 0.00 178.15 177.36 1u39 h LEU 144 N -0.65 0.00 -1.38 1.44 3.38 -1.46 1.25 115.31 117.90 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 0.67 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1u39 h LEU 144 CO -0.23 0.11 -0.27 -1.28 0.09 0.00 0.00 178.44 176.86 1u39 h SER 145 N 0.00 0.00 -0.29 -0.43 0.87 0.24 -3.16 113.55 110.79 1u39 h SER 145 Ca 0.00 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.32 1u39 h SER 145 Cb 0.19 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 61.84 1u39 h SER 145 CO 0.01 0.27 -0.90 0.59 -0.53 0.00 0.00 176.83 176.28 1u39 n ASN 146 N -3.74 2.18 -2.54 6.23 3.02 0.74 -4.86 115.26 116.30 1u39 n ASN 146 Ca -0.01 -2.81 -0.30 0.00 -0.03 0.00 0.00 54.58 51.42 1u39 n ASN 146 Cb 0.38 -0.41 0.01 0.00 -0.61 0.00 0.00 39.78 39.15 1u39 n ASN 146 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u39 n ALA 147 N -0.43 5.48 -1.56 5.41 0.00 0.41 -4.94 120.51 124.88 1u39 n ALA 147 Ca 0.18 -4.20 -0.37 0.00 0.00 0.00 0.00 53.44 49.04 1u39 n ALA 147 Cb 0.91 -0.93 0.06 0.00 0.00 0.00 0.00 19.45 19.49 1u39 n ALA 147 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1u39 n VAL 148 N -0.53 3.40 0.00 0.00 0.24 -1.26 -4.36 118.33 115.82 1u39 n VAL 148 Ca 0.44 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1u39 n VAL 148 Cb 0.58 -1.04 0.00 0.00 -1.47 0.00 0.00 33.84 31.91 1u39 n VAL 148 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u39 n GLY 149 N 1.38 1.13 2.62 7.63 0.00 -0.99 -4.86 105.19 112.10 1u39 n GLY 149 Ca 0.13 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 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 0.30 -0.42 1.61 2.02 -1.26 0.61 118.70 121.56 1u39 s GLU 150 Ca 0.00 -0.46 -0.29 0.00 0.02 0.00 0.00 54.97 54.24 1u39 s GLU 150 Cb 0.00 -1.61 0.02 0.00 0.10 0.00 0.00 34.13 32.64 1u39 s GLU 150 CO 0.00 -0.86 1.20 0.42 0.02 0.00 0.00 175.26 176.04 1u39 s ILE 151 N 2.01 4.19 -0.31 -1.63 1.01 0.13 -4.87 121.20 121.73 1u39 s ILE 151 Ca 0.06 1.26 -0.10 0.00 0.00 0.00 0.00 60.65 61.87 1u39 s ILE 151 Cb -0.16 -4.45 -0.01 0.00 0.01 0.00 0.00 42.46 37.84 1u39 s ILE 151 CO -0.23 -0.82 0.16 -2.28 0.00 0.00 0.00 174.94 171.77 1u39 s HIS 152 N 4.49 3.18 0.18 3.97 2.46 -1.26 -1.02 115.29 127.31 1u39 s HIS 152 Ca 0.51 -0.52 -0.07 0.00 0.47 0.00 0.00 55.06 55.44 1u39 s HIS 152 Cb -0.10 -2.37 -0.02 0.00 -0.13 0.00 0.00 32.58 29.96 1u39 s HIS 152 CO 0.28 -0.44 0.26 0.00 -2.47 0.00 0.00 174.74 172.37 1u39 s MET 153 N 1.63 1.21 0.16 2.88 0.23 -0.60 0.14 119.30 124.95 1u39 s MET 153 Ca 0.05 -1.31 0.09 0.00 -1.03 0.00 0.00 55.69 53.49 1u39 s MET 153 Cb -0.17 0.36 -0.04 0.00 -1.53 0.00 0.00 34.83 33.44 1u39 s MET 153 CO 0.07 -0.44 -0.12 0.15 -2.03 0.00 0.00 175.02 172.65 1u39 s LYS 154 N -4.02 1.97 -0.03 3.16 1.02 -0.33 0.57 119.74 122.08 1u39 s LYS 154 Ca 0.23 -1.25 -0.03 0.00 0.02 0.00 0.00 55.97 54.93 1u39 s LYS 154 Cb 0.04 -2.14 0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1u39 s LYS 154 CO 0.04 0.45 0.10 0.95 -0.92 0.00 0.00 175.35 175.96 1u39 s THR 155 N -1.57 0.00 0.12 2.17 -4.23 0.27 -1.06 115.64 111.35 1u39 s THR 155 Ca 0.23 -0.02 0.08 0.00 -1.18 0.00 0.00 61.69 60.79 1u39 s THR 155 Cb -0.09 -0.15 -0.04 0.00 1.34 0.00 0.00 72.50 73.56 1u39 s THR 155 CO 0.14 -0.01 -0.18 -0.04 -0.54 0.00 0.00 174.62 173.98 1u39 s MET 156 N 0.01 1.12 -0.15 3.99 1.00 0.40 -2.23 119.30 123.43 1u39 s MET 156 Ca -0.00 -1.23 -0.32 0.00 0.00 0.00 0.00 55.69 54.13 1u39 s MET 156 Cb -0.01 -1.22 -0.10 0.00 0.00 0.00 0.00 34.83 33.50 1u39 s MET 156 CO 0.00 0.26 2.04 -0.35 0.00 0.00 0.00 175.02 176.97 1u39 n PRO 157 N 0.76 2.02 0.00 2.03 -0.04 -1.26 0.12 135.00 138.63 1u39 n PRO 157 Ca -0.17 0.68 0.13 0.00 -0.04 0.00 0.00 63.50 64.10 1u39 n PRO 157 Cb 0.55 -2.81 0.79 0.00 -0.04 0.00 0.00 33.50 32.00 1u39 n PRO 157 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46