#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v95 s SER 2 N 0.00 -0.04 -0.10 1.61 0.01 -1.26 -5.17 113.70 108.75 1v95 s SER 2 Ca 0.00 0.06 -0.06 0.00 1.31 0.00 0.00 55.95 57.26 1v95 s SER 2 Cb 0.00 1.04 0.04 0.00 0.21 0.00 0.00 66.02 67.30 1v95 s SER 2 CO 0.00 -0.01 0.25 -0.55 0.41 0.00 0.00 173.24 173.34 1v95 s SER 3 N 1.65 -0.26 -1.45 2.44 0.15 -1.26 -4.99 113.70 109.97 1v95 s SER 3 Ca -0.03 0.51 -0.14 0.00 0.70 0.00 0.00 55.95 57.00 1v95 s SER 3 Cb -0.01 0.44 0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1v95 s SER 3 CO -0.14 -0.14 2.21 0.61 1.20 0.00 0.00 173.24 176.99 1v95 n GLY 4 N 3.78 4.37 3.14 9.45 0.00 -1.26 -4.63 105.19 120.05 1v95 n GLY 4 Ca -0.21 -1.59 0.05 0.00 0.00 0.00 0.00 46.02 44.27 1v95 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v95 s SER 5 N 3.21 -0.41 -0.35 1.61 0.01 -1.26 -5.12 113.70 111.39 1v95 s SER 5 Ca 0.47 0.04 -0.00 0.00 1.31 0.00 0.00 55.95 57.77 1v95 s SER 5 Cb 0.14 1.24 0.12 0.00 0.21 0.00 0.00 66.02 67.73 1v95 s SER 5 CO -0.08 -0.07 0.16 -0.44 0.41 0.00 0.00 173.24 173.22 1v95 s SER 6 N 2.94 3.66 0.08 2.44 0.01 -1.26 -5.11 113.70 116.46 1v95 s SER 6 Ca 0.28 -2.00 -0.17 0.00 1.31 0.00 0.00 55.95 55.37 1v95 s SER 6 Cb -0.02 -0.77 0.03 0.00 0.21 0.00 0.00 66.02 65.47 1v95 s SER 6 CO -0.23 -0.35 0.39 -0.83 0.41 0.00 0.00 173.24 172.63 1v95 s GLY 7 N 1.19 -0.25 -0.04 3.44 0.00 -1.26 -5.12 107.32 105.27 1v95 s GLY 7 Ca 0.14 0.12 -0.30 0.00 0.00 0.00 0.00 44.72 44.68 1v95 s GLY 7 CO -0.14 -0.13 1.21 2.56 0.00 0.00 0.00 173.10 176.60 1v95 s PRO 8 N -3.03 4.35 -0.14 2.90 0.04 -1.25 -4.74 135.00 133.15 1v95 s PRO 8 Ca -0.02 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 1v95 s PRO 8 Cb 0.00 -3.54 0.04 0.00 0.04 0.00 0.00 34.50 31.04 1v95 s PRO 8 CO -0.06 -0.44 -0.03 0.08 0.04 0.00 0.00 177.00 176.59 1v95 s VAL 9 N 2.13 0.81 0.29 -0.36 1.01 -1.26 -4.94 120.40 118.08 1v95 s VAL 9 Ca 0.57 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 1v95 s VAL 9 Cb -0.25 -1.01 0.35 0.00 0.00 0.00 0.00 36.38 35.47 1v95 s VAL 9 CO 0.23 0.15 1.61 0.44 0.00 0.00 0.00 175.10 177.53 1v95 h ASP 10 N 8.20 -0.31 -2.59 3.32 5.19 -1.67 -3.34 116.42 125.22 1v95 h ASP 10 Ca -0.23 0.24 -0.37 0.00 -0.62 0.00 0.00 57.03 56.05 1v95 h ASP 10 Cb 1.12 0.39 -0.37 0.00 0.18 0.00 0.00 39.33 40.65 1v95 h ASP 10 CO 0.36 -0.26 -0.67 0.00 -3.12 0.00 0.00 179.24 175.55 1v95 s SER 12 N 2.27 6.44 -0.23 0.00 0.01 -0.46 -3.14 113.70 118.60 1v95 s SER 12 Ca 0.07 0.51 -0.23 0.00 1.31 0.00 0.00 55.95 57.61 1v95 s SER 12 Cb -0.16 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 1v95 s SER 12 CO -0.17 -0.01 0.74 -0.69 0.41 0.00 0.00 173.24 173.52 1v95 s VAL 13 N 1.00 4.91 -0.37 3.43 1.01 0.36 -0.50 120.40 130.25 1v95 s VAL 13 Ca 0.18 1.40 -0.15 0.00 0.00 0.00 0.00 61.98 63.41 1v95 s VAL 13 Cb -0.14 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 1v95 s VAL 13 CO 0.07 0.00 0.34 -0.63 0.00 0.00 0.00 175.10 174.88 1v95 s ILE 14 N 2.47 5.19 -0.37 2.22 -1.09 0.40 -0.37 121.20 129.66 1v95 s ILE 14 Ca 0.32 -0.20 0.01 0.00 -2.23 0.00 0.00 60.65 58.56 1v95 s ILE 14 Cb -0.16 -3.85 0.11 0.00 -1.58 0.00 0.00 42.46 36.98 1v95 s ILE 14 CO 0.09 -0.17 0.15 0.54 -1.23 0.00 0.00 174.94 174.32 1v95 s VAL 15 N 1.92 1.36 0.11 2.92 0.11 -0.27 0.34 120.40 126.90 1v95 s VAL 15 Ca 0.09 -2.05 -0.16 0.00 -2.93 0.00 0.00 61.98 56.94 1v95 s VAL 15 Cb -0.17 -1.99 -0.04 0.00 -1.53 0.00 0.00 36.38 32.65 1v95 s VAL 15 CO 0.11 -0.75 1.57 -0.37 -3.33 0.00 0.00 175.10 172.34 1v95 h VAL 16 N 6.02 1.25 -4.30 2.04 -1.51 -1.76 -2.29 116.25 115.70 1v95 h VAL 16 Ca -0.07 -0.92 -0.46 0.00 -1.23 0.00 0.00 66.70 64.02 1v95 h VAL 16 Cb 0.98 1.15 0.13 0.00 -2.13 0.00 0.00 31.29 31.41 1v95 h VAL 16 CO 0.49 0.31 0.33 0.21 -1.23 0.00 0.00 177.57 177.68 1v95 s ASN 17 N -6.07 3.64 -0.10 4.19 2.47 -1.26 -3.52 114.94 114.29 1v95 s ASN 17 Ca -0.13 0.85 0.10 0.00 0.42 0.00 0.00 52.86 54.10 1v95 s ASN 17 Cb 0.09 -1.35 -0.15 0.00 -1.45 0.00 0.00 41.25 38.40 1v95 s ASN 17 CO 0.77 -2.45 0.06 0.29 -3.72 0.00 0.00 177.10 172.05 1v95 n LYS 18 N -3.68 1.94 -0.31 0.43 4.76 -1.26 -4.52 118.16 115.52 1v95 n LYS 18 Ca 0.08 -0.02 0.10 0.00 -2.87 0.00 0.00 58.31 55.60 1v95 n LYS 18 Cb 0.60 -1.30 0.27 0.00 -1.84 0.00 0.00 35.03 32.76 1v95 n LYS 18 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1v95 h GLN 19 N 0.00 0.56 -1.99 1.97 -0.00 -1.98 -0.78 115.11 112.89 1v95 h GLN 19 Ca -0.28 -0.03 -0.28 0.00 -0.00 0.00 0.00 58.65 58.06 1v95 h GLN 19 Cb 1.60 -0.13 -0.10 0.00 0.00 0.00 0.00 27.48 28.85 1v95 h GLN 19 CO 0.02 0.37 -0.13 0.25 0.00 0.00 0.00 178.83 179.34 1v95 n THR 20 N -4.91 3.05 -0.09 2.39 -2.24 -1.26 -4.24 114.28 106.98 1v95 n THR 20 Ca 0.20 -1.90 -0.18 0.00 -2.27 0.00 0.00 64.05 59.90 1v95 n THR 20 Cb 0.53 -1.85 -0.11 0.00 -2.10 0.00 0.00 70.33 66.80 1v95 n THR 20 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1v95 h LYS 21 N 2.89 0.00 0.00 -0.78 3.64 -1.44 -2.01 116.57 118.87 1v95 h LYS 21 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1v95 h LYS 21 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1v95 h LYS 21 CO 0.42 0.95 0.00 -0.44 -2.27 0.00 0.00 179.45 178.11 1v95 h ASP 22 N -1.00 0.00 0.00 4.20 3.32 -1.84 -2.42 116.42 118.69 1v95 h ASP 22 Ca -0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1v95 h ASP 22 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1v95 h ASP 22 CO -0.13 0.00 -0.15 0.22 -1.72 0.00 0.00 179.24 177.46 1v95 h TYR 23 N 0.00 0.00 -0.89 4.55 5.03 -1.83 -3.34 116.97 120.50 1v95 h TYR 23 Ca 0.00 0.00 0.22 0.00 2.58 0.00 0.00 58.73 61.53 1v95 h TYR 23 Cb 0.70 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 38.92 1v95 h TYR 23 CO 0.00 0.00 0.60 0.00 -1.32 0.00 0.00 178.16 177.44 1v95 h ALA 24 N -1.39 2.36 0.00 1.82 0.00 -1.47 1.38 119.26 121.96 1v95 h ALA 24 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1v95 h ALA 24 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1v95 h ALA 24 CO 0.00 -0.64 0.00 0.39 0.00 0.00 0.00 179.25 179.00 1v95 n GLU 25 N -4.45 0.07 -0.01 0.00 1.02 -0.91 -1.50 120.64 114.86 1v95 n GLU 25 Ca 0.19 0.49 -0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1v95 n GLU 25 Cb 0.76 -1.70 -0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1v95 n GLU 25 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1v95 h SER 26 N 0.00 0.00 -0.90 1.62 0.87 0.18 -3.13 113.55 112.19 1v95 h SER 26 Ca 0.00 0.00 0.26 0.00 -1.23 0.00 0.00 61.79 60.82 1v95 h SER 26 Cb 0.10 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 1v95 h SER 26 CO 0.00 0.08 0.86 1.62 -0.53 0.00 0.00 176.83 178.86 1v95 h VAL 27 N -0.11 0.23 -0.03 2.23 3.04 -1.47 1.72 116.25 121.86 1v95 h VAL 27 Ca 0.00 0.00 -0.23 0.00 -1.01 0.00 0.00 66.70 65.46 1v95 h VAL 27 Cb 0.05 0.34 0.01 0.00 -2.01 0.00 0.00 31.29 29.67 1v95 h VAL 27 CO 0.00 0.00 -0.91 1.23 -1.01 0.00 0.00 177.57 176.88 1v95 h GLY 28 N 0.00 0.59 1.81 3.17 0.00 -1.43 -3.14 103.07 104.08 1v95 h GLY 28 Ca 0.43 -0.98 -0.19 0.00 0.00 0.00 0.00 47.33 46.59 1v95 h GLY 28 CO -0.00 0.86 -0.97 0.07 0.00 0.00 0.00 176.54 176.50 1v95 h ARG 29 N 0.32 0.00 -0.53 4.80 0.11 0.23 -3.23 114.38 116.08 1v95 h ARG 29 Ca -0.08 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.02 1v95 h ARG 29 Cb 1.54 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.59 1v95 h ARG 29 CO 0.17 0.76 0.35 0.87 0.10 0.00 0.00 179.97 182.21 1v95 h LYS 30 N 0.00 0.65 0.00 0.08 1.79 0.22 0.17 116.57 119.48 1v95 h LYS 30 Ca -0.05 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.28 1v95 h LYS 30 Cb 1.68 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 32.17 1v95 h LYS 30 CO 0.10 0.43 -0.47 0.28 -1.08 0.00 0.00 179.45 178.71 1v95 h VAL 31 N 0.66 0.97 -0.01 0.50 2.07 -1.57 -2.96 116.25 115.92 1v95 h VAL 31 Ca 0.20 -1.87 -0.17 0.00 0.82 0.00 0.00 66.70 65.69 1v95 h VAL 31 Cb -0.00 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1v95 h VAL 31 CO -0.05 0.46 -0.76 0.03 0.02 0.00 0.00 177.57 177.27 1v95 h ARG 32 N 0.00 0.10 0.00 1.57 3.08 -0.78 -2.71 114.38 115.65 1v95 h ARG 32 Ca -0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1v95 h ARG 32 Cb 1.09 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1v95 h ARG 32 CO 0.06 0.81 0.00 0.22 -1.07 0.00 0.00 179.97 179.99 1v95 h ASP 33 N 0.06 0.00 0.34 7.04 3.58 -0.85 0.67 116.42 127.26 1v95 h ASP 33 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1v95 h ASP 33 Cb 1.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1v95 h ASP 33 CO 0.11 0.00 -0.84 0.18 -2.88 0.00 0.00 179.24 175.81 1v95 n LEU 34 N -2.36 0.67 -0.00 2.28 4.77 -1.05 -4.94 117.00 116.37 1v95 n LEU 34 Ca -0.01 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1v95 n LEU 34 Cb 0.06 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1v95 n LEU 34 CO 0.12 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1v95 n GLY 35 N 1.45 1.70 3.42 -0.72 0.00 0.23 -5.09 105.19 106.18 1v95 n GLY 35 Ca 0.04 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1v95 n GLY 35 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1v95 s MET 36 N -1.48 2.80 -0.03 1.61 1.00 -1.06 -5.01 119.30 117.13 1v95 s MET 36 Ca 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 55.69 54.68 1v95 s MET 36 Cb 0.00 -2.44 -0.06 0.00 0.00 0.00 0.00 34.83 32.33 1v95 s MET 36 CO 0.00 0.46 1.67 0.08 0.00 0.00 0.00 175.02 177.23 1v95 s VAL 37 N -0.32 3.50 0.11 -6.03 1.01 -1.26 -3.54 120.40 113.87 1v95 s VAL 37 Ca 0.03 0.65 0.06 0.00 0.00 0.00 0.00 61.98 62.72 1v95 s VAL 37 Cb -0.13 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1v95 s VAL 37 CO 0.03 -0.05 -0.15 -0.69 0.00 0.00 0.00 175.10 174.23 1v95 s VAL 38 N 3.89 1.35 0.19 2.92 1.01 -1.26 -1.21 120.40 127.29 1v95 s VAL 38 Ca 0.74 -1.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1v95 s VAL 38 Cb -0.34 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1v95 s VAL 38 CO 0.31 -0.29 0.28 -0.62 0.00 0.00 0.00 175.10 174.77 1v95 s ASP 39 N -2.16 0.05 -0.12 3.32 2.15 -1.19 -5.00 116.67 113.72 1v95 s ASP 39 Ca 0.06 -1.02 0.02 0.00 0.43 0.00 0.00 52.55 52.03 1v95 s ASP 39 Cb -0.07 0.45 -0.01 0.00 -0.30 0.00 0.00 42.92 42.99 1v95 s ASP 39 CO 0.03 -0.93 -0.18 -0.76 -0.17 0.00 0.00 175.17 173.16 1v95 s LEU 40 N -3.03 2.41 -0.38 -1.34 1.02 -1.26 -0.49 118.68 115.62 1v95 s LEU 40 Ca 0.24 -0.45 -0.03 0.00 0.02 0.00 0.00 54.13 53.91 1v95 s LEU 40 Cb 0.03 -1.52 0.09 0.00 0.02 0.00 0.00 46.19 44.82 1v95 s LEU 40 CO 0.05 0.15 0.15 -0.63 0.02 0.00 0.00 176.35 176.08 1v95 s ILE 41 N 0.45 3.23 -0.35 -0.59 1.01 0.50 -4.96 121.20 120.48 1v95 s ILE 41 Ca -0.13 -1.85 -0.18 0.00 0.00 0.00 0.00 60.65 58.49 1v95 s ILE 41 Cb -0.17 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.19 1v95 s ILE 41 CO 0.06 -0.53 0.53 -0.36 0.00 0.00 0.00 174.94 174.64 1v95 s PHE 42 N 1.18 3.17 -0.89 3.97 0.08 -1.26 -1.12 117.98 123.12 1v95 s PHE 42 Ca 0.05 0.19 0.01 0.00 0.12 0.00 0.00 56.93 57.29 1v95 s PHE 42 Cb -0.22 -2.96 0.32 0.00 -0.57 0.00 0.00 43.02 39.59 1v95 s PHE 42 CO -0.03 -0.56 1.43 1.28 -0.10 0.00 0.00 175.22 177.24 1v95 n LEU 43 N 5.79 6.09 -4.55 -0.37 4.77 -0.86 -4.95 117.00 122.92 1v95 n LEU 43 Ca -0.04 -5.44 -0.37 0.00 -0.03 0.00 0.00 56.01 50.13 1v95 n LEU 43 Cb 0.49 -0.99 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 1v95 n LEU 43 CO 0.46 2.06 1.45 0.54 -1.33 0.00 0.00 177.39 180.56 1v95 s ASN 44 N -2.09 5.57 -1.43 -1.43 4.22 -1.23 -3.31 114.94 115.25 1v95 s ASN 44 Ca 0.40 -0.18 -0.04 0.00 -2.14 0.00 0.00 52.86 50.90 1v95 s ASN 44 Cb 0.18 -2.55 0.02 0.00 1.28 0.00 0.00 41.25 40.18 1v95 s ASN 44 CO -0.07 -2.24 0.35 0.41 -2.04 0.00 0.00 177.10 173.51 1v95 n THR 45 N 7.10 -1.30 0.00 0.54 -1.04 -1.26 -4.92 114.28 113.40 1v95 n THR 45 Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1v95 n THR 45 Cb 0.50 -2.63 0.00 0.00 -1.82 0.00 0.00 70.33 66.38 1v95 n THR 45 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1v95 n GLU 46 N -3.53 0.00 0.00 -2.82 1.02 -1.21 -5.11 120.64 108.99 1v95 n GLU 46 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1v95 n GLU 46 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.03 1v95 n GLU 46 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1v95 n VAL 47 N 0.00 0.00 -4.16 2.62 0.31 -1.26 -5.06 118.33 110.77 1v95 n VAL 47 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 1v95 n VAL 47 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1v95 n VAL 47 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1v95 s SER 48 N 1.00 5.15 0.13 4.52 0.01 -1.26 -5.03 113.70 118.21 1v95 s SER 48 Ca 0.00 -0.33 -0.32 0.00 1.31 0.00 0.00 55.95 56.62 1v95 s SER 48 Cb 0.00 -1.21 -0.09 0.00 0.21 0.00 0.00 66.02 64.92 1v95 s SER 48 CO 0.00 0.03 1.56 0.25 0.41 0.00 0.00 173.24 175.50 1v95 h LEU 49 N 2.14 -1.58 -0.97 2.44 6.46 -2.00 -1.15 115.31 120.64 1v95 h LEU 49 Ca -0.47 0.20 0.14 0.00 -0.12 0.00 0.00 57.88 57.63 1v95 h LEU 49 Cb 1.22 0.63 -0.15 0.00 -0.73 0.00 0.00 40.66 41.63 1v95 h LEU 49 CO 0.61 -0.46 -0.41 -1.54 -0.62 0.00 0.00 178.44 176.02 1v95 n SER 50 N -5.43 -0.69 -0.32 1.25 3.41 -1.26 0.16 113.62 110.74 1v95 n SER 50 Ca -0.05 1.70 0.26 0.00 -0.26 0.00 0.00 58.87 60.53 1v95 n SER 50 Cb 0.37 -0.36 0.49 0.00 -0.26 0.00 0.00 64.21 64.45 1v95 n SER 50 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1v95 n GLN 51 N -5.40 -0.06 0.03 4.33 0.00 -0.44 0.19 117.38 116.02 1v95 n GLN 51 Ca 0.09 1.36 -0.19 0.00 -0.00 0.00 0.00 57.00 58.26 1v95 n GLN 51 Cb 0.37 -2.37 -0.12 0.00 0.00 0.00 0.00 30.24 28.12 1v95 n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1v95 h ALA 52 N 1.93 0.05 -0.10 1.69 0.00 0.17 -2.87 119.26 120.13 1v95 h ALA 52 Ca 0.76 -0.63 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1v95 h ALA 52 Cb 1.91 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 1v95 h ALA 52 CO -0.79 0.45 0.08 -0.07 0.00 0.00 0.00 179.25 178.92 1v95 h LEU 53 N -0.00 0.00 -0.07 0.00 3.38 0.40 0.19 115.31 119.21 1v95 h LEU 53 Ca -0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1v95 h LEU 53 Cb 1.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 1v95 h LEU 53 CO 0.15 0.00 -0.10 -0.08 0.09 0.00 0.00 178.44 178.50 1v95 h GLU 54 N 0.00 0.19 0.00 1.13 4.81 0.14 -2.84 114.58 118.01 1v95 h GLU 54 Ca 0.05 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1v95 h GLU 54 Cb 0.20 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1v95 h GLU 54 CO -0.00 0.67 -0.13 0.22 -0.73 0.00 0.00 179.01 179.05 1v95 h ASP 55 N -0.28 0.00 0.58 1.04 1.82 -1.07 -1.77 116.42 116.75 1v95 h ASP 55 Ca 0.01 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.62 1v95 h ASP 55 Cb 0.66 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.67 1v95 h ASP 55 CO 0.02 0.13 -0.28 0.58 -1.61 0.00 0.00 179.24 178.08 1v95 h VAL 56 N 0.00 0.38 0.77 2.25 2.07 -0.49 1.12 116.25 122.35 1v95 h VAL 56 Ca -0.00 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1v95 h VAL 56 Cb 0.48 0.45 0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1v95 h VAL 56 CO 0.02 0.03 -0.37 -1.28 0.02 0.00 0.00 177.57 175.98 1v95 h SER 57 N -0.92 -0.88 -0.91 0.57 0.87 -1.33 0.48 113.55 111.43 1v95 h SER 57 Ca -0.08 0.03 0.16 0.00 -1.23 0.00 0.00 61.79 60.67 1v95 h SER 57 Cb 0.65 0.23 -0.10 0.00 -0.44 0.00 0.00 62.40 62.74 1v95 h SER 57 CO 0.13 -0.55 0.51 -0.09 -0.53 0.00 0.00 176.83 176.30 1v95 h ARG 58 N -1.19 0.69 0.00 2.24 2.43 -1.40 0.47 114.38 117.62 1v95 h ARG 58 Ca -0.11 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1v95 h ARG 58 Cb 0.79 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1v95 h ARG 58 CO 0.17 0.46 -0.15 0.78 -1.51 0.00 0.00 179.97 179.72 1v95 h GLY 59 N 0.71 0.00 0.00 2.80 0.00 0.14 -3.46 103.07 103.26 1v95 h GLY 59 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1v95 h GLY 59 CO -0.36 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.79 1v95 n GLY 60 N -0.78 1.31 3.16 4.60 0.00 0.16 -3.86 105.19 109.80 1v95 n GLY 60 Ca -0.02 -0.39 -0.52 0.00 0.00 0.00 0.00 46.02 45.09 1v95 n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v95 n SER 61 N 0.00 0.60 0.07 1.61 7.64 0.15 -4.76 113.62 118.92 1v95 n SER 61 Ca 0.00 0.52 -0.11 0.00 1.01 0.00 0.00 58.87 60.29 1v95 n SER 61 Cb 0.00 -0.86 -0.01 0.00 -1.01 0.00 0.00 64.21 62.33 1v95 n SER 61 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1v95 h PRO 62 N 9.36 0.35 -6.16 1.43 0.13 -1.69 -3.33 132.00 132.09 1v95 h PRO 62 Ca -0.08 -0.34 -0.69 0.00 -0.87 0.00 0.00 66.00 64.02 1v95 h PRO 62 Cb 1.33 0.09 -0.26 0.00 0.13 0.00 0.00 31.00 32.29 1v95 h PRO 62 CO 1.12 1.02 -0.80 -0.06 -0.23 0.00 0.00 178.00 179.04 1v95 s PHE 63 N -3.39 2.64 -0.08 1.56 0.08 -0.94 0.19 117.98 118.04 1v95 s PHE 63 Ca -0.05 -0.34 -0.00 0.00 0.12 0.00 0.00 56.93 56.66 1v95 s PHE 63 Cb 0.10 -1.64 0.02 0.00 -0.57 0.00 0.00 43.02 40.93 1v95 s PHE 63 CO 0.85 0.05 -0.05 0.00 -0.10 0.00 0.00 175.22 175.96 1v95 s ALA 64 N -0.48 1.01 -0.10 5.36 0.00 -0.85 -1.35 121.76 125.35 1v95 s ALA 64 Ca 0.06 -0.32 -0.14 0.00 0.00 0.00 0.00 51.96 51.57 1v95 s ALA 64 Cb -0.12 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1v95 s ALA 64 CO 0.02 -0.29 0.32 0.42 0.00 0.00 0.00 175.76 176.23 1v95 s ILE 65 N 1.51 5.24 -0.17 0.00 1.01 0.35 -1.94 121.20 127.20 1v95 s ILE 65 Ca -0.00 0.63 -0.10 0.00 0.00 0.00 0.00 60.65 61.17 1v95 s ILE 65 Cb -0.13 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 1v95 s ILE 65 CO -0.04 0.47 0.17 0.54 0.00 0.00 0.00 174.94 176.08 1v95 s VAL 66 N -0.17 5.40 0.08 2.92 0.11 -0.79 0.15 120.40 128.09 1v95 s VAL 66 Ca 0.19 0.29 0.06 0.00 -2.93 0.00 0.00 61.98 59.59 1v95 s VAL 66 Cb -0.14 -3.50 -0.03 0.00 -1.53 0.00 0.00 36.38 31.18 1v95 s VAL 66 CO 0.07 0.47 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.52 1v95 s ILE 67 N 0.05 1.29 -0.20 7.04 -1.09 0.15 -3.27 121.20 125.18 1v95 s ILE 67 Ca 0.12 -1.33 -0.32 0.00 -2.23 0.00 0.00 60.65 56.88 1v95 s ILE 67 Cb -0.12 -1.21 0.15 0.00 -1.58 0.00 0.00 42.46 39.70 1v95 s ILE 67 CO 0.01 -0.14 1.19 0.28 -1.23 0.00 0.00 174.94 175.05 1v95 s THR 68 N -1.18 0.00 0.07 2.92 -1.32 -1.26 -4.12 115.64 110.75 1v95 s THR 68 Ca 0.01 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.35 1v95 s THR 68 Cb -0.10 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.86 1v95 s THR 68 CO 0.03 0.00 1.16 1.67 -2.21 0.00 0.00 174.62 175.27 1v95 n GLN 69 N 0.20 -0.19 -0.20 7.08 7.27 -1.26 -0.44 117.38 129.84 1v95 n GLN 69 Ca -0.02 1.15 -0.11 0.00 0.07 0.00 0.00 57.00 58.08 1v95 n GLN 69 Cb 0.58 -1.71 -0.09 0.00 2.41 0.00 0.00 30.24 31.44 1v95 n GLN 69 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1v95 h GLN 70 N 0.00 -0.24 -0.85 3.69 5.75 -2.00 0.16 115.11 121.62 1v95 h GLN 70 Ca 0.07 0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.71 1v95 h GLN 70 Cb 0.18 0.05 -0.14 0.00 1.07 0.00 0.00 27.48 28.64 1v95 h GLN 70 CO -0.41 -0.16 -0.41 0.45 -2.65 0.00 0.00 178.83 175.65 1v95 h HIS 71 N -0.25 -1.18 -0.95 3.99 3.86 -1.28 0.73 115.15 120.07 1v95 h HIS 71 Ca 0.09 0.10 0.29 0.00 -1.16 0.00 0.00 60.37 59.69 1v95 h HIS 71 Cb 0.48 0.64 -0.18 0.00 1.06 0.00 0.00 27.41 29.41 1v95 h HIS 71 CO -0.81 -0.40 0.12 0.94 0.86 0.00 0.00 177.93 178.65 1v95 n GLN 72 N -5.43 -0.07 0.21 2.45 7.27 0.41 0.22 117.38 122.44 1v95 n GLN 72 Ca 0.07 1.41 -0.15 0.00 0.07 0.00 0.00 57.00 58.40 1v95 n GLN 72 Cb 0.37 -2.29 -0.07 0.00 2.41 0.00 0.00 30.24 30.65 1v95 n GLN 72 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1v95 h ILE 73 N 0.00 0.47 0.00 1.69 2.04 0.78 0.12 117.51 122.61 1v95 h ILE 73 Ca 0.63 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.49 1v95 h ILE 73 Cb 1.39 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1v95 h ILE 73 CO -0.86 0.00 0.00 1.41 0.00 0.00 0.00 178.15 178.70 1v95 n HIS 74 N -5.38 0.00 -1.64 1.37 8.25 0.30 -4.83 115.22 113.29 1v95 n HIS 74 Ca -0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.27 1v95 n HIS 74 Cb 0.29 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 1v95 n HIS 74 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1v95 n ARG 75 N -1.15 -1.58 -4.38 -0.41 3.00 0.59 -4.89 116.66 107.84 1v95 n ARG 75 Ca 0.14 0.53 -0.24 0.00 -0.01 0.00 0.00 57.85 58.27 1v95 n ARG 75 Cb 0.13 -4.83 -0.09 0.00 0.00 0.00 0.00 32.46 27.67 1v95 n ARG 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1v95 s SER 76 N -1.87 4.02 0.34 0.55 1.04 -1.11 -4.34 113.70 112.32 1v95 s SER 76 Ca 0.00 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.64 1v95 s SER 76 Cb 0.00 -0.55 -0.04 0.00 0.10 0.00 0.00 66.02 65.53 1v95 s SER 76 CO 0.00 0.04 0.15 0.00 0.98 0.00 0.00 173.24 174.40 1v95 s THR 78 N -3.44 3.17 -0.38 0.00 2.01 -1.20 -2.54 115.64 113.26 1v95 s THR 78 Ca 0.32 -1.10 -0.21 0.00 0.31 0.00 0.00 61.69 61.01 1v95 s THR 78 Cb 0.04 -2.70 0.01 0.00 0.01 0.00 0.00 72.50 69.86 1v95 s THR 78 CO 0.17 0.04 0.67 -0.69 -0.69 0.00 0.00 174.62 174.13 1v95 s VAL 79 N 1.34 4.83 -0.23 3.82 1.01 -1.15 -1.88 120.40 128.14 1v95 s VAL 79 Ca -0.01 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 1v95 s VAL 79 Cb -0.18 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.09 1v95 s VAL 79 CO -0.02 -0.41 -0.10 0.20 0.00 0.00 0.00 175.10 174.78 1v95 s ASN 80 N 1.86 3.99 0.43 3.32 0.01 -0.82 -2.22 114.94 121.50 1v95 s ASN 80 Ca 0.26 -0.79 -0.21 0.00 -0.71 0.00 0.00 52.86 51.40 1v95 s ASN 80 Cb -0.14 -1.61 -0.11 0.00 0.41 0.00 0.00 41.25 39.80 1v95 s ASN 80 CO 0.16 -0.08 0.96 -0.63 -1.51 0.00 0.00 177.10 176.00 1v95 s ILE 81 N 1.31 4.32 -0.02 0.60 1.01 -1.16 -2.01 121.20 125.25 1v95 s ILE 81 Ca 0.01 1.47 0.05 0.00 0.00 0.00 0.00 60.65 62.19 1v95 s ILE 81 Cb -0.16 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 38.62 1v95 s ILE 81 CO -0.07 -0.29 0.09 0.23 0.00 0.00 0.00 174.94 174.90 1v95 n MET 82 N -0.60 1.27 -4.08 2.79 2.81 0.50 -4.70 117.12 115.12 1v95 n MET 82 Ca 0.07 -0.03 -0.28 0.00 -1.81 0.00 0.00 57.70 55.65 1v95 n MET 82 Cb 0.54 -1.14 -0.06 0.00 -0.71 0.00 0.00 33.22 31.85 1v95 n MET 82 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1v95 s PHE 83 N -2.30 3.15 0.04 2.03 -0.12 -1.25 -5.01 117.98 114.50 1v95 s PHE 83 Ca -0.02 0.01 0.00 0.00 -0.05 0.00 0.00 56.93 56.87 1v95 s PHE 83 Cb 0.03 -1.55 0.00 0.00 -0.63 0.00 0.00 43.02 40.87 1v95 s PHE 83 CO 0.24 0.52 0.00 0.41 -0.05 0.00 0.00 175.22 176.33 1v95 n GLY 84 N -0.00 -1.51 3.31 1.99 0.00 -1.26 -4.83 105.19 102.89 1v95 n GLY 84 Ca -0.09 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1v95 n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1v95 n THR 85 N -1.51 0.77 -2.31 2.61 -1.04 -1.26 -4.73 114.28 106.81 1v95 n THR 85 Ca 0.00 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.16 1v95 n THR 85 Cb 0.07 -0.04 -0.04 0.00 -1.82 0.00 0.00 70.33 68.50 1v95 n THR 85 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1v95 s PRO 86 N -1.05 3.07 -0.29 -2.82 0.04 -1.26 -4.92 135.00 127.77 1v95 s PRO 86 Ca 0.60 -0.62 -0.06 0.00 0.04 0.00 0.00 61.00 60.96 1v95 s PRO 86 Cb -0.64 -5.12 0.01 0.00 0.04 0.00 0.00 34.50 28.79 1v95 s PRO 86 CO 0.62 -2.74 0.06 -0.65 0.04 0.00 0.00 177.00 174.33 1v95 s GLN 87 N 6.01 3.01 -0.27 4.56 -1.52 -1.26 -5.07 119.66 125.11 1v95 s GLN 87 Ca 0.57 -0.90 -0.03 0.00 -1.95 0.00 0.00 55.36 53.05 1v95 s GLN 87 Cb -0.04 -3.31 0.03 0.00 -0.22 0.00 0.00 33.01 29.47 1v95 s GLN 87 CO -0.03 -0.45 -0.02 -2.00 -0.25 0.00 0.00 175.29 172.54 1v95 s GLU 88 N 1.46 2.75 -0.29 2.91 2.12 -1.26 -3.00 118.70 123.39 1v95 s GLU 88 Ca 0.02 -1.05 -0.11 0.00 0.36 0.00 0.00 54.97 54.19 1v95 s GLU 88 Cb -0.17 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 1v95 s GLU 88 CO 0.01 -0.48 0.19 -1.01 -0.54 0.00 0.00 175.26 173.43 1v95 s HIS 89 N 1.33 3.21 -0.12 5.30 3.76 -0.94 -5.06 115.29 122.76 1v95 s HIS 89 Ca -0.01 0.05 -0.03 0.00 -0.15 0.00 0.00 55.06 54.92 1v95 s HIS 89 Cb -0.18 -2.38 -0.03 0.00 1.11 0.00 0.00 32.58 31.10 1v95 s HIS 89 CO -0.02 -0.20 -0.01 1.03 -0.85 0.00 0.00 174.74 174.69 1v95 s ARG 90 N 1.75 3.37 -0.27 1.40 0.52 -1.26 -2.93 118.95 121.53 1v95 s ARG 90 Ca 0.07 -0.45 -0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1v95 s ARG 90 Cb -0.16 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.42 1v95 s ARG 90 CO 0.11 0.47 0.01 0.09 0.02 0.00 0.00 175.30 175.99 1v95 n ASN 91 N 2.87 -7.62 -3.97 0.23 4.13 -1.26 -5.04 115.26 104.60 1v95 n ASN 91 Ca -0.18 1.33 -0.19 0.00 1.68 0.00 0.00 54.58 57.22 1v95 n ASN 91 Cb 0.53 -4.94 -0.15 0.00 -1.54 0.00 0.00 39.78 33.68 1v95 n ASN 91 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1v95 s MET 92 N -1.53 0.76 0.37 3.52 -1.94 -1.05 -5.02 119.30 114.41 1v95 s MET 92 Ca -0.01 -0.24 -0.25 0.00 -1.71 0.00 0.00 55.69 53.47 1v95 s MET 92 Cb 0.00 -0.73 -0.09 0.00 2.01 0.00 0.00 34.83 36.02 1v95 s MET 92 CO 0.70 0.09 1.06 -1.25 -0.01 0.00 0.00 175.02 175.62 1v95 s PRO 93 N 0.17 4.29 0.00 2.03 0.04 -1.26 -2.80 135.00 137.47 1v95 s PRO 93 Ca -0.02 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1v95 s PRO 93 Cb -0.07 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1v95 s PRO 93 CO 0.00 -0.05 0.86 1.04 0.04 0.00 0.00 177.00 178.90 1v95 n GLN 94 N 0.27 0.00 0.00 4.56 6.02 -1.26 0.13 117.38 127.10 1v95 n GLN 94 Ca 0.03 0.86 0.00 0.00 -0.01 0.00 0.00 57.00 57.88 1v95 n GLN 94 Cb 0.48 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.43 1v95 n GLN 94 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1v95 n ALA 95 N -2.74 0.00 -0.32 -1.58 0.00 -1.26 0.18 120.51 114.80 1v95 n ALA 95 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1v95 n ALA 95 Cb 0.00 0.43 0.28 0.00 0.00 0.00 0.00 19.45 20.16 1v95 n ALA 95 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1v95 h ASP 96 N 0.00 -0.35 -0.68 0.00 5.19 -1.71 1.73 116.42 120.61 1v95 h ASP 96 Ca 0.00 0.25 0.01 0.00 -0.62 0.00 0.00 57.03 56.67 1v95 h ASP 96 Cb 0.00 0.42 -0.03 0.00 0.18 0.00 0.00 39.33 39.89 1v95 h ASP 96 CO 0.00 -0.29 0.45 0.00 -3.12 0.00 0.00 179.24 176.28 1v95 h ALA 97 N 1.90 0.86 0.00 3.45 0.00 0.87 1.30 119.26 127.65 1v95 h ALA 97 Ca 0.57 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.37 1v95 h ALA 97 Cb 1.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1v95 h ALA 97 CO -0.83 0.29 -0.28 0.52 0.00 0.00 0.00 179.25 178.95 1v95 h MET 98 N 0.92 0.00 0.12 0.00 2.86 1.33 0.19 114.93 120.35 1v95 h MET 98 Ca 0.25 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.68 1v95 h MET 98 Cb -0.11 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.56 1v95 h MET 98 CO -0.05 0.28 -1.02 -0.24 1.06 0.00 0.00 176.91 176.94 1v95 h VAL 99 N 0.00 1.33 -0.04 -2.22 3.04 0.13 0.15 116.25 118.63 1v95 h VAL 99 Ca -0.00 -2.47 -0.04 0.00 -1.01 0.00 0.00 66.70 63.18 1v95 h VAL 99 Cb 0.52 3.00 -0.01 0.00 -2.01 0.00 0.00 31.29 32.80 1v95 h VAL 99 CO 0.04 0.69 -0.14 0.25 -1.01 0.00 0.00 177.57 177.40 1v95 h LEU 100 N -0.40 0.06 0.04 3.16 6.46 0.18 1.00 115.31 125.81 1v95 h LEU 100 Ca -0.20 -0.01 -0.14 0.00 -0.12 0.00 0.00 57.88 57.41 1v95 h LEU 100 Cb 1.65 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.56 1v95 h LEU 100 CO 0.10 0.21 -0.73 1.62 -0.62 0.00 0.00 178.44 179.02 1v95 h VAL 101 N 0.06 1.37 -0.43 1.05 3.04 -0.69 -1.62 116.25 119.03 1v95 h VAL 101 Ca 0.01 -2.34 -0.01 0.00 -1.01 0.00 0.00 66.70 63.35 1v95 h VAL 101 Cb 0.29 2.92 -0.02 0.00 -2.01 0.00 0.00 31.29 32.47 1v95 h VAL 101 CO 0.02 0.56 0.20 0.00 -1.01 0.00 0.00 177.57 177.34 1v95 h ALA 102 N -0.13 1.55 0.29 3.17 0.00 -0.46 0.72 119.26 124.40 1v95 h ALA 102 Ca -0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1v95 h ALA 102 Cb 1.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1v95 h ALA 102 CO -0.03 0.36 -0.14 0.00 0.00 0.00 0.00 179.25 179.44 1v95 h ARG 103 N 0.60 -0.38 -0.31 0.00 2.47 0.94 -2.82 114.38 114.87 1v95 h ARG 103 Ca 0.15 0.03 0.06 0.00 -1.26 0.00 0.00 59.98 58.96 1v95 h ARG 103 Cb 0.07 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.42 1v95 h ARG 103 CO -0.02 -0.22 -0.05 -0.91 0.56 0.00 0.00 179.97 179.34 1v95 h ASN 104 N -1.09 -0.22 -0.58 7.04 2.35 -1.19 -2.07 115.58 119.82 1v95 h ASN 104 Ca -0.04 0.08 0.11 0.00 -0.55 0.00 0.00 56.30 55.90 1v95 h ASN 104 Cb 0.34 0.17 -0.11 0.00 0.05 0.00 0.00 38.32 38.76 1v95 h ASN 104 CO 0.07 -0.07 -0.30 0.22 -1.65 0.00 0.00 177.43 175.70 1v95 h TYR 105 N 0.04 -0.79 -0.82 1.19 3.20 0.34 0.28 116.97 120.40 1v95 h TYR 105 Ca 0.15 0.07 0.13 0.00 3.14 0.00 0.00 58.73 62.21 1v95 h TYR 105 Cb 0.22 0.44 -0.14 0.00 1.54 0.00 0.00 36.73 38.79 1v95 h TYR 105 CO -0.27 -0.36 -0.39 0.93 -1.64 0.00 0.00 178.16 176.43 1v95 h GLU 106 N -0.14 -0.07 0.50 1.82 4.39 -1.10 0.16 114.58 120.13 1v95 h GLU 106 Ca 0.24 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 1v95 h GLU 106 Cb 0.54 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1v95 h GLU 106 CO -0.66 -0.05 -0.24 -0.09 -1.16 0.00 0.00 179.01 176.81 1v95 h ARG 107 N -0.08 -0.64 -1.00 2.33 1.12 -1.00 -2.60 114.38 112.52 1v95 h ARG 107 Ca 0.28 0.04 0.41 0.00 -1.11 0.00 0.00 59.98 59.61 1v95 h ARG 107 Cb 0.57 0.15 -0.17 0.00 -0.01 0.00 0.00 29.97 30.50 1v95 h ARG 107 CO -0.86 -0.34 0.55 0.98 -3.11 0.00 0.00 179.97 177.18 1v95 n TYR 108 N -5.29 1.12 -0.03 2.20 9.36 0.83 0.18 117.16 125.52 1v95 n TYR 108 Ca -0.11 1.12 -0.12 0.00 3.32 0.00 0.00 57.90 62.11 1v95 n TYR 108 Cb 0.31 -1.53 -0.08 0.00 -0.63 0.00 0.00 39.34 37.42 1v95 n TYR 108 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1v95 h LYS 109 N 0.00 0.18 -1.14 2.98 3.64 -0.53 0.87 116.57 122.57 1v95 h LYS 109 Ca 0.83 -0.07 0.32 0.00 -1.27 0.00 0.00 60.65 60.46 1v95 h LYS 109 Cb 2.23 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 33.95 1v95 h LYS 109 CO -0.73 0.50 0.76 -0.91 -2.27 0.00 0.00 179.45 176.79 1v95 h ASN 110 N -0.16 0.29 0.50 4.20 2.35 0.23 0.91 115.58 123.91 1v95 h ASN 110 Ca 0.02 0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 1v95 h ASN 110 Cb 0.44 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1v95 h ASN 110 CO 0.01 0.02 -1.61 -0.62 -1.65 0.00 0.00 177.43 173.58 1v95 n GLU 111 N -4.51 0.64 0.37 0.81 1.02 -0.63 -4.19 120.64 114.14 1v95 n GLU 111 Ca 0.27 0.09 -0.18 0.00 -0.02 0.00 0.00 57.16 57.32 1v95 n GLU 111 Cb 1.08 -1.71 -0.09 0.00 -0.02 0.00 0.00 31.44 30.70 1v95 n GLU 111 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1v95 h ARG 113 N -0.91 -0.08 -6.07 0.00 2.47 -1.07 -3.20 114.38 105.52 1v95 h ARG 113 Ca -0.09 0.01 -0.52 0.00 -1.26 0.00 0.00 59.98 58.11 1v95 h ARG 113 Cb 0.69 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.95 1v95 h ARG 113 CO 0.15 -0.05 1.25 -2.00 0.56 0.00 0.00 179.97 179.88 1v95 s GLU 114 N -5.90 3.23 0.32 0.04 2.12 -1.10 -4.87 118.70 112.54 1v95 s GLU 114 Ca -0.14 -0.65 -0.10 0.00 0.36 0.00 0.00 54.97 54.44 1v95 s GLU 114 Cb 0.17 -4.99 0.04 0.00 0.26 0.00 0.00 34.13 29.61 1v95 s GLU 114 CO 0.69 -2.47 0.61 1.63 -0.54 0.00 0.00 175.26 175.18 1v95 n LYS 115 N 9.00 0.88 -4.93 4.30 4.76 -1.21 -4.89 118.16 126.07 1v95 n LYS 115 Ca 0.28 -1.92 -0.33 0.00 -2.87 0.00 0.00 58.31 53.47 1v95 n LYS 115 Cb 0.50 2.28 -0.15 0.00 -1.84 0.00 0.00 35.03 35.82 1v95 n LYS 115 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1v95 s GLU 116 N -2.17 3.11 0.10 1.97 0.41 -1.26 -4.94 118.70 115.92 1v95 s GLU 116 Ca 0.15 -0.74 0.00 0.00 -0.41 0.00 0.00 54.97 53.96 1v95 s GLU 116 Cb -0.04 -2.49 0.00 0.00 -1.78 0.00 0.00 34.13 29.83 1v95 s GLU 116 CO 0.11 0.28 0.00 0.54 -0.49 0.00 0.00 175.26 175.70 1v95 n ARG 117 N 3.29 -5.24 -1.25 1.61 1.74 -1.26 -4.85 116.66 110.71 1v95 n ARG 117 Ca -0.18 3.74 -0.38 0.00 -0.77 0.00 0.00 57.85 60.26 1v95 n ARG 117 Cb 0.53 -4.43 0.03 0.00 -1.02 0.00 0.00 32.46 27.56 1v95 n ARG 117 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1v95 n GLU 118 N 1.91 0.13 0.00 5.56 2.13 -1.26 -4.77 120.64 124.34 1v95 n GLU 118 Ca 0.00 0.06 0.07 0.00 0.66 0.00 0.00 57.16 57.94 1v95 n GLU 118 Cb 0.00 -1.25 0.31 0.00 0.27 0.00 0.00 31.44 30.77 1v95 n GLU 118 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1v95 n GLU 119 N 1.03 0.06 0.00 5.31 4.07 -1.26 -4.49 120.64 125.36 1v95 n GLU 119 Ca 0.07 0.23 0.00 0.00 -0.06 0.00 0.00 57.16 57.40 1v95 n GLU 119 Cb 0.49 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.37 1v95 n GLU 119 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1v95 n ILE 120 N -1.43 0.00 -3.78 6.31 5.41 -1.26 -4.89 119.36 119.71 1v95 n ILE 120 Ca 0.04 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.54 1v95 n ILE 120 Cb 0.15 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.08 1v95 n ILE 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1v95 n ALA 121 N -3.00 -2.76 -1.52 -1.39 0.00 -1.26 -4.61 120.51 105.96 1v95 n ALA 121 Ca 0.00 -0.29 -0.54 0.00 0.00 0.00 0.00 53.44 52.60 1v95 n ALA 121 Cb 0.00 -1.06 -0.08 0.00 0.00 0.00 0.00 19.45 18.31 1v95 n ALA 121 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1v95 n ARG 122 N -2.91 0.97 -1.00 0.00 0.63 -1.26 -4.90 116.66 108.19 1v95 n ARG 122 Ca -0.27 0.31 -0.28 0.00 -0.92 0.00 0.00 57.85 56.68 1v95 n ARG 122 Cb 0.66 -2.20 0.20 0.00 0.45 0.00 0.00 32.46 31.57 1v95 n ARG 122 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1v95 s GLN 123 N 5.21 -0.02 0.69 -0.14 -0.44 -1.26 -4.94 119.66 118.75 1v95 s GLN 123 Ca 1.07 0.57 -0.17 0.00 -2.50 0.00 0.00 55.36 54.33 1v95 s GLN 123 Cb -1.02 -1.68 -0.07 0.00 -1.64 0.00 0.00 33.01 28.60 1v95 s GLN 123 CO 0.58 -3.05 0.36 0.00 0.50 0.00 0.00 175.29 173.67 1v95 n ALA 124 N -4.41 -1.91 -2.87 1.58 0.00 -1.26 -4.99 120.51 106.65 1v95 n ALA 124 Ca 0.04 -0.21 0.03 0.00 0.00 0.00 0.00 53.44 53.30 1v95 n ALA 124 Cb 0.57 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1v95 n ALA 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1v95 s SER 125 N -1.33 -0.31 -0.29 0.00 1.04 -1.26 -5.13 113.70 106.41 1v95 s SER 125 Ca 0.63 -0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.94 1v95 s SER 125 Cb -0.37 0.63 0.10 0.00 0.10 0.00 0.00 66.02 66.47 1v95 s SER 125 CO 0.60 -0.04 0.11 -0.83 0.98 0.00 0.00 173.24 174.05 1v95 s GLY 126 N 2.26 0.81 -0.65 7.32 0.00 -1.26 -5.09 107.32 110.72 1v95 s GLY 126 Ca 0.19 -1.37 -0.27 0.00 0.00 0.00 0.00 44.72 43.27 1v95 s GLY 126 CO -0.17 1.78 1.55 2.56 0.00 0.00 0.00 173.10 178.81 1v95 s PRO 127 N 1.83 2.99 0.84 2.90 0.04 -1.26 -4.99 135.00 137.35 1v95 s PRO 127 Ca 0.09 0.26 -0.11 0.00 0.04 0.00 0.00 61.00 61.27 1v95 s PRO 127 Cb -0.17 -4.25 0.09 0.00 0.04 0.00 0.00 34.50 30.21 1v95 s PRO 127 CO -0.29 -2.34 1.10 -1.12 0.04 0.00 0.00 177.00 174.39 1v95 s SER 128 N 5.65 4.05 -0.20 6.66 0.01 -1.26 -5.02 113.70 123.59 1v95 s SER 128 Ca 0.52 1.39 -0.16 0.00 1.31 0.00 0.00 55.95 59.01 1v95 s SER 128 Cb -0.11 -2.10 -0.10 0.00 0.21 0.00 0.00 66.02 63.93 1v95 s SER 128 CO 0.19 -2.26 -0.17 -1.20 0.41 0.00 0.00 173.24 170.21 1v95 n SER 129 N -3.63 1.89 -0.39 2.44 7.64 -1.26 -5.34 113.62 114.97 1v95 n SER 129 Ca 0.07 0.44 0.14 0.00 1.01 0.00 0.00 58.87 60.53 1v95 n SER 129 Cb 0.56 -0.85 0.60 0.00 -1.01 0.00 0.00 64.21 63.51 1v95 n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64