#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 6.83 -0.13 1.61 0.01 -1.26 -4.97 113.70 115.80 1v95 s SER 2 Ca 0.00 1.01 -0.30 0.00 1.31 0.00 0.00 55.95 57.97 1v95 s SER 2 Cb 0.00 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 63.81 1v95 s SER 2 CO 0.00 -0.98 0.99 -0.55 0.41 0.00 0.00 173.24 173.11 1v95 s SER 3 N 2.04 -0.35 0.00 2.44 0.15 -1.26 -4.67 113.70 112.05 1v95 s SER 3 Ca 0.48 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.41 1v95 s SER 3 Cb -0.13 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1v95 s SER 3 CO 0.19 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1v95 n GLY 4 N 0.45 0.16 3.10 9.45 0.00 -1.26 -5.12 105.19 111.97 1v95 n GLY 4 Ca -0.09 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 1v95 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v95 s SER 5 N -0.17 2.19 -0.79 1.61 1.04 -1.26 -5.08 113.70 111.24 1v95 s SER 5 Ca 0.00 -0.37 -0.26 0.00 0.48 0.00 0.00 55.95 55.80 1v95 s SER 5 Cb 0.00 -0.89 0.04 0.00 0.10 0.00 0.00 66.02 65.26 1v95 s SER 5 CO 0.00 0.10 1.28 -0.94 0.98 0.00 0.00 173.24 174.66 1v95 s SER 6 N 0.41 6.23 0.00 7.02 1.04 -1.26 -4.81 113.70 122.33 1v95 s SER 6 Ca -0.13 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1v95 s SER 6 Cb -0.15 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1v95 s SER 6 CO 0.05 -1.73 0.00 0.61 0.98 0.00 0.00 173.24 173.14 1v95 n GLY 7 N 5.64 3.73 3.77 7.32 0.00 -1.26 -5.12 105.19 119.27 1v95 n GLY 7 Ca 0.08 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 1v95 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v95 s PRO 8 N -3.13 0.07 -0.21 1.61 0.04 -1.26 -5.04 135.00 127.08 1v95 s PRO 8 Ca 0.00 -0.11 -0.00 0.00 0.04 0.00 0.00 61.00 60.92 1v95 s PRO 8 Cb 0.00 -1.75 0.05 0.00 0.04 0.00 0.00 34.50 32.84 1v95 s PRO 8 CO 0.00 -2.84 -0.04 0.08 0.04 0.00 0.00 177.00 174.24 1v95 s VAL 9 N -3.41 1.22 0.35 -0.36 1.01 -1.26 -4.94 120.40 113.00 1v95 s VAL 9 Ca 0.70 -0.92 0.16 0.00 0.00 0.00 0.00 61.98 61.92 1v95 s VAL 9 Cb -0.09 -1.50 0.35 0.00 0.00 0.00 0.00 36.38 35.15 1v95 s VAL 9 CO 0.54 -0.05 1.60 0.44 0.00 0.00 0.00 175.10 177.63 1v95 h ASP 10 N 8.06 0.23 -2.22 3.32 5.19 -1.43 -3.31 116.42 126.26 1v95 h ASP 10 Ca -0.20 0.25 -0.21 0.00 -0.62 0.00 0.00 57.03 56.25 1v95 h ASP 10 Cb 1.09 0.27 -0.32 0.00 0.18 0.00 0.00 39.33 40.56 1v95 h ASP 10 CO 0.40 -0.35 -0.53 0.00 -3.12 0.00 0.00 179.24 175.64 1v95 s SER 12 N 2.47 6.48 -0.22 0.00 0.01 -0.59 -3.05 113.70 118.79 1v95 s SER 12 Ca 0.09 0.56 -0.18 0.00 1.31 0.00 0.00 55.95 57.73 1v95 s SER 12 Cb -0.15 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 1v95 s SER 12 CO -0.14 0.21 0.53 -0.69 0.41 0.00 0.00 173.24 173.56 1v95 s VAL 13 N -0.15 5.08 -0.50 3.43 1.01 -0.06 0.78 120.40 129.98 1v95 s VAL 13 Ca 0.17 0.94 -0.11 0.00 0.00 0.00 0.00 61.98 62.98 1v95 s VAL 13 Cb -0.13 -3.84 0.13 0.00 0.00 0.00 0.00 36.38 32.53 1v95 s VAL 13 CO 0.05 0.13 0.41 -0.63 0.00 0.00 0.00 175.10 175.06 1v95 s ILE 14 N 1.93 4.54 -0.44 2.22 -1.09 0.46 -0.60 121.20 128.22 1v95 s ILE 14 Ca 0.23 -1.74 -0.05 0.00 -2.23 0.00 0.00 60.65 56.86 1v95 s ILE 14 Cb -0.15 -3.96 0.12 0.00 -1.58 0.00 0.00 42.46 36.88 1v95 s ILE 14 CO 0.09 -0.81 0.27 0.54 -1.23 0.00 0.00 174.94 173.80 1v95 s VAL 15 N 1.38 3.65 -1.59 2.92 0.11 -0.67 -0.23 120.40 125.97 1v95 s VAL 15 Ca 0.05 -2.00 -0.10 0.00 -2.93 0.00 0.00 61.98 57.00 1v95 s VAL 15 Cb -0.27 -3.46 -0.07 0.00 -1.53 0.00 0.00 36.38 31.05 1v95 s VAL 15 CO 0.00 -0.73 2.85 1.33 -3.33 0.00 0.00 175.10 175.22 1v95 n VAL 16 N 4.66 4.16 0.00 2.04 0.24 -1.25 -2.50 118.33 125.68 1v95 n VAL 16 Ca -0.04 -2.60 0.00 0.00 -2.04 0.00 0.00 64.34 59.67 1v95 n VAL 16 Cb 0.41 -2.60 0.00 0.00 -1.47 0.00 0.00 33.84 30.18 1v95 n VAL 16 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1v95 n ASN 17 N 3.91 0.00 -0.04 -1.34 3.02 -1.25 -4.88 115.26 114.69 1v95 n ASN 17 Ca 0.75 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 55.25 1v95 n ASN 17 Cb 0.25 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.37 1v95 n ASN 17 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1v95 n LYS 18 N -0.33 1.72 -0.20 3.52 3.00 -1.26 -4.46 118.16 120.15 1v95 n LYS 18 Ca 0.00 0.02 0.01 0.00 -0.00 0.00 0.00 58.31 58.34 1v95 n LYS 18 Cb 0.00 -1.16 0.10 0.00 0.00 0.00 0.00 35.03 33.96 1v95 n LYS 18 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1v95 h GLN 19 N 0.00 0.10 -2.43 1.64 -0.00 -1.98 -1.35 115.11 111.08 1v95 h GLN 19 Ca -0.18 -0.01 -0.51 0.00 -0.00 0.00 0.00 58.65 57.95 1v95 h GLN 19 Cb 1.34 -0.02 -0.07 0.00 0.00 0.00 0.00 27.48 28.73 1v95 h GLN 19 CO -0.01 0.07 1.64 0.25 0.00 0.00 0.00 178.83 180.78 1v95 n THR 20 N -5.29 3.95 -0.01 2.39 -2.24 -1.26 -4.45 114.28 107.37 1v95 n THR 20 Ca 0.09 -2.74 -0.00 0.00 -2.27 0.00 0.00 64.05 59.12 1v95 n THR 20 Cb 0.35 -2.12 -0.00 0.00 -2.10 0.00 0.00 70.33 66.46 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 3.94 0.00 -0.85 -0.78 3.64 -1.55 -3.04 116.57 117.94 1v95 h LYS 21 Ca 0.55 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 60.13 1v95 h LYS 21 Cb 0.73 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.42 1v95 h LYS 21 CO 1.09 0.00 0.31 0.22 -2.27 0.00 0.00 179.45 178.80 1v95 h ASP 22 N -0.09 0.18 0.38 4.20 1.82 -1.84 0.66 116.42 121.74 1v95 h ASP 22 Ca 0.00 0.16 -0.02 0.00 -0.39 0.00 0.00 57.03 56.78 1v95 h ASP 22 Cb 0.04 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.22 1v95 h ASP 22 CO 0.00 -0.04 -0.21 0.22 -1.61 0.00 0.00 179.24 177.60 1v95 h TYR 23 N 0.33 -0.55 -0.97 0.28 3.20 -1.86 -2.23 116.97 115.17 1v95 h TYR 23 Ca 0.52 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.59 1v95 h TYR 23 Cb 0.97 0.19 -0.11 0.00 1.54 0.00 0.00 36.73 39.32 1v95 h TYR 23 CO -0.20 -0.32 0.55 0.00 -1.64 0.00 0.00 178.16 176.56 1v95 h ALA 24 N -1.66 1.63 -0.43 1.82 0.00 -1.25 1.04 119.26 120.42 1v95 h ALA 24 Ca -0.05 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1v95 h ALA 24 Cb 0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1v95 h ALA 24 CO 0.07 -0.17 0.37 0.93 0.00 0.00 0.00 179.25 180.45 1v95 h GLU 25 N 0.64 0.00 0.07 0.00 4.39 0.57 0.29 114.58 120.53 1v95 h GLU 25 Ca 0.59 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.28 1v95 h GLU 25 Cb 1.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1v95 h GLU 25 CO -0.43 0.00 -0.04 1.03 -1.16 0.00 0.00 179.01 178.41 1v95 h SER 26 N 0.00 -0.08 -1.00 1.42 0.87 0.17 -2.04 113.55 112.89 1v95 h SER 26 Ca 0.20 0.00 0.29 0.00 -1.23 0.00 0.00 61.79 61.06 1v95 h SER 26 Cb 0.94 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.88 1v95 h SER 26 CO -0.00 0.15 0.76 1.62 -0.53 0.00 0.00 176.83 178.83 1v95 h VAL 27 N -0.52 0.42 0.00 2.23 3.04 -1.09 1.98 116.25 122.31 1v95 h VAL 27 Ca -0.01 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.54 1v95 h VAL 27 Cb 0.08 0.46 -0.02 0.00 -2.01 0.00 0.00 31.29 29.79 1v95 h VAL 27 CO 0.02 0.00 -0.69 1.23 -1.01 0.00 0.00 177.57 177.12 1v95 h GLY 28 N 0.00 0.00 0.83 3.17 0.00 -0.50 -3.18 103.07 103.38 1v95 h GLY 28 Ca 0.47 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.57 1v95 h GLY 28 CO -0.00 0.00 -1.68 -0.96 0.00 0.00 0.00 176.54 173.90 1v95 n ARG 29 N -3.41 0.63 -0.18 4.80 1.85 0.55 -3.81 116.66 117.10 1v95 n ARG 29 Ca 0.00 0.21 0.02 0.00 -1.00 0.00 0.00 57.85 57.08 1v95 n ARG 29 Cb 0.76 -1.76 0.29 0.00 -1.05 0.00 0.00 32.46 30.70 1v95 n ARG 29 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1v95 h LYS 30 N 0.00 0.88 0.00 2.89 1.79 0.19 0.10 116.57 122.42 1v95 h LYS 30 Ca -0.26 -0.05 -0.11 0.00 -2.18 0.00 0.00 60.65 58.05 1v95 h LYS 30 Cb 1.82 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 32.26 1v95 h LYS 30 CO 0.06 0.58 -0.52 0.28 -1.08 0.00 0.00 179.45 178.77 1v95 h VAL 31 N 0.90 1.23 -0.05 0.50 2.07 -1.68 -2.82 116.25 116.40 1v95 h VAL 31 Ca 0.26 -1.87 -0.14 0.00 0.82 0.00 0.00 66.70 65.77 1v95 h VAL 31 Cb -0.05 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1v95 h VAL 31 CO -0.06 0.51 -0.62 0.03 0.02 0.00 0.00 177.57 177.45 1v95 h ARG 32 N 0.00 0.18 0.00 1.57 3.08 -0.93 -2.51 114.38 115.77 1v95 h ARG 32 Ca -0.01 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1v95 h ARG 32 Cb 1.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1v95 h ARG 32 CO 0.07 0.74 0.00 0.22 -1.07 0.00 0.00 179.97 179.93 1v95 h ASP 33 N 0.13 0.00 0.61 7.04 3.58 -0.80 0.80 116.42 127.78 1v95 h ASP 33 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1v95 h ASP 33 Cb 1.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1v95 h ASP 33 CO 0.09 0.00 -0.51 0.18 -2.88 0.00 0.00 179.24 176.12 1v95 n LEU 34 N -3.04 0.51 0.00 2.28 4.77 -0.97 -4.92 117.00 115.63 1v95 n LEU 34 Ca -0.03 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1v95 n LEU 34 Cb 0.07 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1v95 n LEU 34 CO 0.20 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1v95 n GLY 35 N 1.46 0.99 3.68 -0.72 0.00 0.28 -5.08 105.19 105.79 1v95 n GLY 35 Ca 0.05 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.66 3.42 0.01 1.61 1.00 -1.05 -5.01 119.30 118.62 1v95 s MET 36 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 55.69 55.03 1v95 s MET 36 Cb 0.00 -2.99 -0.07 0.00 0.00 0.00 0.00 34.83 31.77 1v95 s MET 36 CO 0.00 0.54 1.62 0.08 0.00 0.00 0.00 175.02 177.26 1v95 s VAL 37 N -0.42 3.36 0.05 -6.03 1.01 -1.26 -3.53 120.40 113.58 1v95 s VAL 37 Ca 0.09 0.66 0.04 0.00 0.00 0.00 0.00 61.98 62.77 1v95 s VAL 37 Cb -0.12 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1v95 s VAL 37 CO 0.02 -0.03 -0.12 -0.69 0.00 0.00 0.00 175.10 174.29 1v95 s VAL 38 N 3.18 0.88 0.22 2.92 1.01 -1.26 -1.06 120.40 126.29 1v95 s VAL 38 Ca 0.72 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1v95 s VAL 38 Cb -0.36 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1v95 s VAL 38 CO 0.30 -0.23 0.08 -0.62 0.00 0.00 0.00 175.10 174.63 1v95 s ASP 39 N -1.51 0.95 -0.14 3.32 2.15 -1.17 -5.01 116.67 115.26 1v95 s ASP 39 Ca -0.04 -1.32 0.02 0.00 0.43 0.00 0.00 52.55 51.64 1v95 s ASP 39 Cb -0.09 0.20 0.01 0.00 -0.30 0.00 0.00 42.92 42.74 1v95 s ASP 39 CO 0.01 -0.71 -0.20 -0.22 -0.17 0.00 0.00 175.17 173.89 1v95 s LEU 40 N -3.23 2.00 -0.28 -1.34 2.96 -1.26 -0.88 118.68 116.64 1v95 s LEU 40 Ca 0.34 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1v95 s LEU 40 Cb 0.07 -1.36 0.02 0.00 0.50 0.00 0.00 46.19 45.43 1v95 s LEU 40 CO 0.10 0.04 0.01 -0.63 -1.32 0.00 0.00 176.35 174.56 1v95 s ILE 41 N 0.98 3.39 -0.23 6.68 1.01 0.24 -4.85 121.20 128.42 1v95 s ILE 41 Ca -0.04 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 1v95 s ILE 41 Cb -0.15 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 1v95 s ILE 41 CO -0.04 0.09 0.18 -0.36 0.00 0.00 0.00 174.94 174.80 1v95 s PHE 42 N 1.39 3.34 -0.67 3.97 0.08 -1.26 -1.68 117.98 123.16 1v95 s PHE 42 Ca 0.00 0.28 0.06 0.00 0.12 0.00 0.00 56.93 57.39 1v95 s PHE 42 Cb -0.17 -2.27 0.22 0.00 -0.57 0.00 0.00 43.02 40.22 1v95 s PHE 42 CO -0.01 0.10 0.65 1.28 -0.10 0.00 0.00 175.22 177.15 1v95 n LEU 43 N 4.16 3.48 0.10 -0.37 4.77 -1.04 -4.89 117.00 123.20 1v95 n LEU 43 Ca -0.15 -5.36 -0.06 0.00 -0.03 0.00 0.00 56.01 50.41 1v95 n LEU 43 Cb 0.52 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 1v95 n LEU 43 CO 0.36 1.95 0.17 0.78 -1.33 0.00 0.00 177.39 179.32 1v95 h ASN 44 N 4.62 -0.29 -0.72 -1.43 2.35 -1.86 -3.31 115.58 114.95 1v95 h ASN 44 Ca 0.18 -0.05 -0.32 0.00 -0.55 0.00 0.00 56.30 55.56 1v95 h ASN 44 Cb 0.70 0.07 -0.30 0.00 0.05 0.00 0.00 38.32 38.84 1v95 h ASN 44 CO 0.79 0.19 -0.85 0.41 -1.65 0.00 0.00 177.43 176.32 1v95 n THR 45 N -5.00 0.42 0.00 2.81 -1.04 -1.26 -4.95 114.28 105.26 1v95 n THR 45 Ca -0.05 -2.61 0.00 0.00 -2.04 0.00 0.00 64.05 59.35 1v95 n THR 45 Cb 0.16 0.73 0.00 0.00 -1.82 0.00 0.00 70.33 69.40 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 -0.15 0.00 0.00 -2.82 1.02 -1.26 -5.14 120.64 112.29 1v95 n GLU 46 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1v95 n GLU 46 Cb 0.80 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.22 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 -0.83 0.00 -3.68 2.62 0.31 -1.26 -5.18 118.33 110.31 1v95 n VAL 47 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 1v95 n VAL 47 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 1v95 n VAL 47 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1v95 n SER 48 N 0.00 2.27 0.23 4.52 7.64 -1.26 -4.98 113.62 122.04 1v95 n SER 48 Ca 0.00 -2.45 -0.11 0.00 1.01 0.00 0.00 58.87 57.33 1v95 n SER 48 Cb 0.00 -0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 1v95 n SER 48 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1v95 h LEU 49 N 0.00 -0.54 -0.92 -3.43 6.46 -2.00 -3.21 115.31 111.67 1v95 h LEU 49 Ca -0.26 -0.02 0.26 0.00 -0.12 0.00 0.00 57.88 57.74 1v95 h LEU 49 Cb 1.00 0.14 -0.16 0.00 -0.73 0.00 0.00 40.66 40.91 1v95 h LEU 49 CO 0.41 -0.12 0.15 0.77 -0.62 0.00 0.00 178.44 179.03 1v95 h SER 50 N -1.14 -0.21 -1.10 1.25 4.64 -1.98 1.43 113.55 116.45 1v95 h SER 50 Ca -0.07 0.24 0.30 0.00 -0.47 0.00 0.00 61.79 61.79 1v95 h SER 50 Cb 0.52 0.36 -0.10 0.00 -0.31 0.00 0.00 62.40 62.88 1v95 h SER 50 CO 0.11 -0.26 0.71 -0.61 -0.87 0.00 0.00 176.83 175.90 1v95 h GLN 51 N 0.10 0.31 0.16 4.77 -0.00 -1.96 0.88 115.11 119.37 1v95 h GLN 51 Ca 0.58 -0.02 -0.29 0.00 -0.00 0.00 0.00 58.65 58.92 1v95 h GLN 51 Cb 1.21 -0.07 0.03 0.00 0.00 0.00 0.00 27.48 28.65 1v95 h GLN 51 CO -0.77 0.21 -1.23 0.00 0.00 0.00 0.00 178.83 177.04 1v95 h ALA 52 N 1.62 -0.07 -0.21 3.38 0.00 0.19 -3.07 119.26 121.10 1v95 h ALA 52 Ca 0.64 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1v95 h ALA 52 Cb 1.74 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1v95 h ALA 52 CO -0.33 0.62 0.09 -0.07 0.00 0.00 0.00 179.25 179.57 1v95 h LEU 53 N 0.13 0.25 -1.03 0.00 3.38 0.11 0.18 115.31 118.33 1v95 h LEU 53 Ca -0.20 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1v95 h LEU 53 Cb 1.93 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 1v95 h LEU 53 CO 0.23 0.23 -0.46 -0.08 0.09 0.00 0.00 178.44 178.45 1v95 h GLU 54 N 0.29 0.06 0.00 1.13 4.81 0.48 -2.38 114.58 118.96 1v95 h GLU 54 Ca 0.07 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1v95 h GLU 54 Cb 0.05 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1v95 h GLU 54 CO -0.01 0.51 -0.75 0.22 -0.73 0.00 0.00 179.01 178.25 1v95 h ASP 55 N 0.05 0.00 0.08 1.04 1.82 -0.93 -2.71 116.42 115.76 1v95 h ASP 55 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1v95 h ASP 55 Cb 0.83 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.85 1v95 h ASP 55 CO 0.06 0.46 -0.04 0.58 -1.61 0.00 0.00 179.24 178.70 1v95 h VAL 56 N 0.00 1.10 0.62 2.25 2.07 -0.30 0.86 116.25 122.86 1v95 h VAL 56 Ca -0.05 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1v95 h VAL 56 Cb 1.39 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1v95 h VAL 56 CO 0.05 0.16 -0.30 -1.28 0.02 0.00 0.00 177.57 176.22 1v95 h SER 57 N -0.40 -0.71 -0.83 0.57 0.87 -1.54 0.48 113.55 111.99 1v95 h SER 57 Ca -0.01 0.02 0.12 0.00 -1.23 0.00 0.00 61.79 60.70 1v95 h SER 57 Cb 0.34 0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.43 1v95 h SER 57 CO 0.02 -0.38 0.54 0.08 -0.53 0.00 0.00 176.83 176.56 1v95 h ARG 58 N -1.09 0.65 0.00 2.24 0.11 -1.57 0.22 114.38 114.94 1v95 h ARG 58 Ca -0.09 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 59.89 1v95 h ARG 58 Cb 0.64 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 31.56 1v95 h ARG 58 CO 0.14 0.43 -0.33 0.78 0.10 0.00 0.00 179.97 181.09 1v95 h GLY 59 N 0.67 0.00 0.00 0.08 0.00 0.83 -3.47 103.07 101.18 1v95 h GLY 59 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1v95 h GLY 59 CO -0.17 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.98 1v95 n GLY 60 N -0.54 0.63 3.34 4.60 0.00 0.78 -4.40 105.19 109.60 1v95 n GLY 60 Ca -0.02 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.39 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 0.94 0.01 1.61 7.64 0.15 -4.81 113.62 119.17 1v95 n SER 61 Ca 0.00 0.90 -0.19 0.00 1.01 0.00 0.00 58.87 60.60 1v95 n SER 61 Cb 0.00 -0.85 -0.09 0.00 -1.01 0.00 0.00 64.21 62.26 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 6.56 0.68 -6.56 1.43 0.13 -1.65 -3.37 132.00 129.23 1v95 h PRO 62 Ca -0.27 -0.66 -0.65 0.00 -0.87 0.00 0.00 66.00 63.56 1v95 h PRO 62 Cb 1.33 0.17 -0.17 0.00 0.13 0.00 0.00 31.00 32.46 1v95 h PRO 62 CO 0.98 1.25 -0.77 -0.06 -0.23 0.00 0.00 178.00 179.17 1v95 s PHE 63 N -3.47 2.50 -0.07 1.56 0.08 -0.45 0.19 117.98 118.33 1v95 s PHE 63 Ca -0.11 -0.28 -0.03 0.00 0.12 0.00 0.00 56.93 56.64 1v95 s PHE 63 Cb 0.07 -1.25 0.04 0.00 -0.57 0.00 0.00 43.02 41.31 1v95 s PHE 63 CO 0.90 0.48 0.14 0.00 -0.10 0.00 0.00 175.22 176.64 1v95 s ALA 64 N -1.58 -0.14 -0.11 5.36 0.00 -0.45 -1.54 121.76 123.31 1v95 s ALA 64 Ca 0.22 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 52.58 1v95 s ALA 64 Cb -0.09 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 1v95 s ALA 64 CO 0.12 -0.42 0.35 0.42 0.00 0.00 0.00 175.76 176.23 1v95 s ILE 65 N 1.90 5.23 -0.17 0.00 1.01 0.23 -1.40 121.20 128.00 1v95 s ILE 65 Ca -0.01 0.68 -0.08 0.00 0.00 0.00 0.00 60.65 61.24 1v95 s ILE 65 Cb -0.12 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1v95 s ILE 65 CO -0.05 0.43 0.11 -0.69 0.00 0.00 0.00 174.94 174.74 1v95 s VAL 66 N 0.06 5.20 0.15 2.92 1.01 -0.53 0.17 120.40 129.38 1v95 s VAL 66 Ca 0.20 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.37 1v95 s VAL 66 Cb -0.14 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1v95 s VAL 66 CO 0.07 0.49 -0.17 -0.63 0.00 0.00 0.00 175.10 174.87 1v95 s ILE 67 N -0.00 1.67 -0.14 2.22 -1.09 0.68 -2.84 121.20 121.70 1v95 s ILE 67 Ca 0.08 -1.84 -0.34 0.00 -2.23 0.00 0.00 60.65 56.32 1v95 s ILE 67 Cb -0.12 -1.74 0.13 0.00 -1.58 0.00 0.00 42.46 39.16 1v95 s ILE 67 CO 0.00 -0.33 1.22 0.28 -1.23 0.00 0.00 174.94 174.88 1v95 s THR 68 N -2.04 0.00 0.08 2.92 -1.32 -1.26 -3.87 115.64 110.15 1v95 s THR 68 Ca 0.13 -0.07 -0.16 0.00 -1.21 0.00 0.00 61.69 60.38 1v95 s THR 68 Cb -0.06 -1.29 -0.04 0.00 -1.51 0.00 0.00 72.50 69.61 1v95 s THR 68 CO 0.05 0.00 1.28 -0.61 -2.21 0.00 0.00 174.62 173.14 1v95 h GLN 69 N 2.00 -0.00 0.04 7.08 4.15 -1.99 0.24 115.11 126.62 1v95 h GLN 69 Ca -0.15 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.29 1v95 h GLN 69 Cb 1.18 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.81 1v95 h GLN 69 CO 0.24 -0.00 -0.47 0.37 -1.93 0.00 0.00 178.83 177.04 1v95 h GLN 70 N -0.00 -0.63 -1.65 1.69 5.75 -1.97 0.25 115.11 118.54 1v95 h GLN 70 Ca 0.08 0.04 0.49 0.00 -0.15 0.00 0.00 58.65 59.11 1v95 h GLN 70 Cb 0.22 0.14 -0.08 0.00 1.07 0.00 0.00 27.48 28.83 1v95 h GLN 70 CO -0.49 -0.42 1.17 0.45 -2.65 0.00 0.00 178.83 176.90 1v95 h HIS 71 N -0.65 0.10 -0.11 3.99 3.86 -1.35 1.53 115.15 122.52 1v95 h HIS 71 Ca 0.03 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1v95 h HIS 71 Cb 0.70 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1v95 h HIS 71 CO -0.45 -0.03 -0.21 0.37 0.86 0.00 0.00 177.93 178.47 1v95 h GLN 72 N 0.02 0.33 -0.80 2.45 4.15 0.28 1.52 115.11 123.05 1v95 h GLN 72 Ca 0.82 -0.21 -0.04 0.00 0.77 0.00 0.00 58.65 59.99 1v95 h GLN 72 Cb 3.16 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 30.84 1v95 h GLN 72 CO -0.08 0.80 0.33 0.82 -1.93 0.00 0.00 178.83 178.77 1v95 h ILE 73 N -0.11 1.26 -0.01 2.39 2.04 0.27 -1.21 117.51 122.14 1v95 h ILE 73 Ca 0.00 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1v95 h ILE 73 Cb 0.79 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1v95 h ILE 73 CO 0.05 0.33 -0.22 1.41 0.00 0.00 0.00 178.15 179.72 1v95 n HIS 74 N -4.29 0.00 -2.43 1.37 8.25 0.64 -4.91 115.22 113.84 1v95 n HIS 74 Ca 0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.43 1v95 n HIS 74 Cb 0.18 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.69 -2.33 -4.87 -0.41 1.74 0.47 -4.92 116.66 105.65 1v95 n ARG 75 Ca 0.13 0.50 -0.28 0.00 -0.77 0.00 0.00 57.85 57.43 1v95 n ARG 75 Cb 0.33 -5.08 -0.15 0.00 -1.02 0.00 0.00 32.46 26.54 1v95 n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1v95 s SER 76 N -2.02 2.75 0.41 0.55 1.04 0.14 -4.03 113.70 112.53 1v95 s SER 76 Ca 0.00 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 55.96 1v95 s SER 76 Cb 0.00 -0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 1v95 s SER 76 CO 0.00 0.23 0.05 0.00 0.98 0.00 0.00 173.24 174.50 1v95 s THR 78 N -3.04 3.32 -0.37 0.00 2.01 -1.13 -2.24 115.64 114.21 1v95 s THR 78 Ca 0.25 -1.07 -0.21 0.00 0.31 0.00 0.00 61.69 60.97 1v95 s THR 78 Cb 0.06 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 69.78 1v95 s THR 78 CO 0.12 0.01 0.66 -0.69 -0.69 0.00 0.00 174.62 174.04 1v95 s VAL 79 N 1.36 4.85 -0.16 3.82 1.01 -1.16 -1.46 120.40 128.66 1v95 s VAL 79 Ca -0.01 0.58 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 1v95 s VAL 79 Cb -0.18 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1v95 s VAL 79 CO -0.01 -0.37 -0.09 0.20 0.00 0.00 0.00 175.10 174.84 1v95 s ASN 80 N 1.83 4.22 0.19 3.32 0.01 -0.50 -2.36 114.94 121.66 1v95 s ASN 80 Ca 0.25 -0.32 -0.15 0.00 -0.71 0.00 0.00 52.86 51.93 1v95 s ASN 80 Cb -0.14 -1.68 -0.08 0.00 0.41 0.00 0.00 41.25 39.76 1v95 s ASN 80 CO 0.16 0.11 0.62 -0.63 -1.51 0.00 0.00 177.10 175.84 1v95 s ILE 81 N 0.72 4.76 -0.06 0.60 1.01 -1.16 -1.34 121.20 125.73 1v95 s ILE 81 Ca -0.04 0.94 0.07 0.00 0.00 0.00 0.00 60.65 61.62 1v95 s ILE 81 Cb -0.15 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.47 1v95 s ILE 81 CO 0.02 0.16 0.06 0.23 0.00 0.00 0.00 174.94 175.41 1v95 n MET 82 N 0.58 2.26 -3.61 2.79 2.81 0.50 -4.45 117.12 118.00 1v95 n MET 82 Ca -0.03 -0.02 -0.30 0.00 -1.81 0.00 0.00 57.70 55.54 1v95 n MET 82 Cb 0.52 -1.19 -0.04 0.00 -0.71 0.00 0.00 33.22 31.80 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 -2.26 3.47 0.00 2.03 -0.12 -1.24 -4.92 117.98 114.95 1v95 s PHE 83 Ca -0.03 0.54 0.00 0.00 -0.05 0.00 0.00 56.93 57.39 1v95 s PHE 83 Cb 0.03 -2.00 0.00 0.00 -0.63 0.00 0.00 43.02 40.41 1v95 s PHE 83 CO 0.31 0.37 0.00 0.41 -0.05 0.00 0.00 175.22 176.26 1v95 n GLY 84 N -0.25 0.79 3.70 1.99 0.00 -1.26 -4.53 105.19 105.62 1v95 n GLY 84 Ca -0.03 -0.84 -0.60 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 0.21 -2.33 2.61 -1.04 -1.26 -4.82 114.28 107.66 1v95 n THR 85 Ca 0.00 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.55 1v95 n THR 85 Cb 0.00 -1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 67.45 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 3.63 3.25 -0.22 -2.82 0.04 -1.26 -4.90 135.00 132.72 1v95 s PRO 86 Ca 1.01 0.56 -0.04 0.00 0.04 0.00 0.00 61.00 62.57 1v95 s PRO 86 Cb -1.19 -4.15 -0.01 0.00 0.04 0.00 0.00 34.50 29.19 1v95 s PRO 86 CO 0.69 -1.99 -0.02 -0.65 0.04 0.00 0.00 177.00 175.07 1v95 s GLN 87 N 5.64 3.44 -0.50 4.56 -1.52 -1.26 -5.01 119.66 125.00 1v95 s GLN 87 Ca 0.56 -0.59 -0.17 0.00 -1.95 0.00 0.00 55.36 53.21 1v95 s GLN 87 Cb -0.12 -3.06 0.08 0.00 -0.22 0.00 0.00 33.01 29.68 1v95 s GLN 87 CO 0.26 -0.18 0.52 -2.00 -0.25 0.00 0.00 175.29 173.64 1v95 s GLU 88 N 1.47 3.04 -0.42 2.91 2.12 -1.26 -2.99 118.70 123.56 1v95 s GLU 88 Ca 0.05 -1.21 -0.21 0.00 0.36 0.00 0.00 54.97 53.97 1v95 s GLU 88 Cb -0.14 -4.15 0.02 0.00 0.26 0.00 0.00 34.13 30.12 1v95 s GLU 88 CO -0.02 -1.18 0.67 -1.01 -0.54 0.00 0.00 175.26 173.18 1v95 s HIS 89 N 2.11 3.07 -0.18 5.30 3.76 -1.00 -5.04 115.29 123.32 1v95 s HIS 89 Ca 0.09 0.08 -0.11 0.00 -0.15 0.00 0.00 55.06 54.97 1v95 s HIS 89 Cb -0.23 -3.35 -0.05 0.00 1.11 0.00 0.00 32.58 30.06 1v95 s HIS 89 CO 0.08 -0.83 0.17 1.03 -0.85 0.00 0.00 174.74 174.34 1v95 s ARG 90 N 2.88 4.13 -0.13 1.40 0.52 -1.26 -3.01 118.95 123.47 1v95 s ARG 90 Ca 0.24 -0.13 -0.09 0.00 -0.52 0.00 0.00 55.73 55.23 1v95 s ARG 90 Cb -0.14 -3.40 0.04 0.00 0.52 0.00 0.00 34.95 31.97 1v95 s ARG 90 CO 0.19 0.34 0.18 0.09 0.02 0.00 0.00 175.30 176.12 1v95 n ASN 91 N 3.35 -2.36 -3.88 0.23 3.02 -1.26 -5.04 115.26 109.33 1v95 n ASN 91 Ca -0.15 1.26 -0.14 0.00 -0.03 0.00 0.00 54.58 55.51 1v95 n ASN 91 Cb 0.52 -4.28 -0.15 0.00 -0.61 0.00 0.00 39.78 35.27 1v95 n ASN 91 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1v95 s MET 92 N -0.48 0.17 0.26 3.52 -1.94 -0.95 -5.00 119.30 114.89 1v95 s MET 92 Ca -0.21 -0.03 -0.30 0.00 -1.71 0.00 0.00 55.69 53.45 1v95 s MET 92 Cb 0.01 -0.23 -0.09 0.00 2.01 0.00 0.00 34.83 36.53 1v95 s MET 92 CO 0.57 -0.01 1.09 -1.25 -0.01 0.00 0.00 175.02 175.41 1v95 s PRO 93 N 0.24 4.66 0.02 2.03 0.04 -1.26 -2.59 135.00 138.12 1v95 s PRO 93 Ca -0.02 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 62.75 1v95 s PRO 93 Cb -0.04 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 1v95 s PRO 93 CO -0.01 0.23 0.98 1.04 0.04 0.00 0.00 177.00 179.28 1v95 n GLN 94 N 1.35 -0.05 -0.04 4.56 6.02 -1.26 0.19 117.38 128.14 1v95 n GLN 94 Ca -0.01 0.98 -0.01 0.00 -0.01 0.00 0.00 57.00 57.95 1v95 n GLN 94 Cb 0.45 -1.46 -0.01 0.00 1.02 0.00 0.00 30.24 30.24 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 -2.97 -0.07 -0.32 -1.58 0.00 -1.26 0.15 120.51 114.46 1v95 n ALA 95 Ca 0.00 0.09 0.16 0.00 0.00 0.00 0.00 53.44 53.69 1v95 n ALA 95 Cb 0.03 0.39 0.35 0.00 0.00 0.00 0.00 19.45 20.23 1v95 n ALA 95 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1v95 h ASP 96 N 0.00 0.42 -0.52 0.00 1.82 -1.64 1.53 116.42 118.03 1v95 h ASP 96 Ca 0.02 0.16 -0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1v95 h ASP 96 Cb 0.04 0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.15 1v95 h ASP 96 CO -0.10 -0.01 0.32 0.00 -1.61 0.00 0.00 179.24 177.84 1v95 h ALA 97 N 1.74 1.56 -0.02 -0.78 0.00 1.11 1.04 119.26 123.91 1v95 h ALA 97 Ca 0.61 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.30 1v95 h ALA 97 Cb 1.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1v95 h ALA 97 CO -0.54 0.38 -0.71 0.52 0.00 0.00 0.00 179.25 178.91 1v95 h MET 98 N 0.73 0.14 0.24 0.00 2.86 1.08 -1.01 114.93 118.97 1v95 h MET 98 Ca 0.19 -0.12 -0.33 0.00 -2.06 0.00 0.00 59.70 57.38 1v95 h MET 98 Cb -0.03 0.03 0.04 0.00 0.06 0.00 0.00 31.60 31.69 1v95 h MET 98 CO -0.04 0.79 -1.44 -0.24 1.06 0.00 0.00 176.91 177.05 1v95 h VAL 99 N 0.10 1.29 -0.17 -2.22 3.04 0.50 0.41 116.25 119.19 1v95 h VAL 99 Ca -0.02 -2.67 -0.07 0.00 -1.01 0.00 0.00 66.70 62.93 1v95 h VAL 99 Cb 1.26 3.02 -0.01 0.00 -2.01 0.00 0.00 31.29 33.54 1v95 h VAL 99 CO 0.10 0.80 -0.21 0.25 -1.01 0.00 0.00 177.57 177.50 1v95 h LEU 100 N 0.14 0.30 0.04 3.16 6.46 0.11 0.70 115.31 126.22 1v95 h LEU 100 Ca -0.25 -0.08 -0.13 0.00 -0.12 0.00 0.00 57.88 57.30 1v95 h LEU 100 Cb 2.13 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.98 1v95 h LEU 100 CO 0.27 0.52 -0.67 1.62 -0.62 0.00 0.00 178.44 179.56 1v95 h VAL 101 N 0.28 1.41 -0.21 1.05 3.04 -1.21 -1.91 116.25 118.70 1v95 h VAL 101 Ca 0.05 -2.34 -0.01 0.00 -1.01 0.00 0.00 66.70 63.38 1v95 h VAL 101 Cb 0.53 2.96 -0.01 0.00 -2.01 0.00 0.00 31.29 32.76 1v95 h VAL 101 CO 0.04 0.57 0.08 0.00 -1.01 0.00 0.00 177.57 177.24 1v95 h ALA 102 N -0.12 1.76 0.02 3.17 0.00 -0.09 0.25 119.26 124.25 1v95 h ALA 102 Ca -0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1v95 h ALA 102 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1v95 h ALA 102 CO -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 179.25 179.42 1v95 h ARG 103 N 0.29 -0.03 -0.76 0.00 2.47 0.33 -3.10 114.38 113.58 1v95 h ARG 103 Ca 0.07 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 58.95 1v95 h ARG 103 Cb 0.07 0.01 -0.14 0.00 -1.65 0.00 0.00 29.97 28.25 1v95 h ARG 103 CO -0.01 -0.02 -0.18 -0.91 0.56 0.00 0.00 179.97 179.42 1v95 h ASN 104 N -0.10 -0.68 -0.74 7.04 2.35 -1.34 0.82 115.58 122.94 1v95 h ASN 104 Ca -0.00 0.23 0.11 0.00 -0.55 0.00 0.00 56.30 56.08 1v95 h ASN 104 Cb 0.02 0.46 -0.12 0.00 0.05 0.00 0.00 38.32 38.73 1v95 h ASN 104 CO 0.00 -0.25 -0.41 0.22 -1.65 0.00 0.00 177.43 175.34 1v95 h TYR 105 N 0.01 -1.20 -0.65 1.19 3.20 -0.63 0.93 116.97 119.81 1v95 h TYR 105 Ca 0.37 0.09 0.10 0.00 3.14 0.00 0.00 58.73 62.43 1v95 h TYR 105 Cb 0.57 0.63 -0.12 0.00 1.54 0.00 0.00 36.73 39.36 1v95 h TYR 105 CO -0.59 -0.40 -0.41 0.93 -1.64 0.00 0.00 178.16 176.05 1v95 h GLU 106 N -0.13 -0.16 0.33 1.82 4.39 -0.75 0.21 114.58 120.28 1v95 h GLU 106 Ca 0.24 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 1v95 h GLU 106 Cb 0.56 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1v95 h GLU 106 CO -0.79 -0.11 -0.16 -0.09 -1.16 0.00 0.00 179.01 176.70 1v95 h ARG 107 N -0.17 -0.43 -0.98 2.33 1.12 -0.78 -2.58 114.38 112.89 1v95 h ARG 107 Ca 0.22 0.03 0.20 0.00 -1.11 0.00 0.00 59.98 59.31 1v95 h ARG 107 Cb 0.56 0.10 -0.19 0.00 -0.01 0.00 0.00 29.97 30.43 1v95 h ARG 107 CO -0.73 -0.16 -0.24 -0.92 -3.11 0.00 0.00 179.97 174.80 1v95 h TYR 108 N -0.65 -0.51 -0.04 2.20 3.20 0.18 0.67 116.97 122.02 1v95 h TYR 108 Ca -0.05 0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1v95 h TYR 108 Cb 0.46 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 1v95 h TYR 108 CO -0.00 -0.42 -0.04 0.87 -1.64 0.00 0.00 178.16 176.93 1v95 h LYS 109 N 0.00 -0.04 -1.22 1.82 1.57 -0.54 0.97 116.57 119.12 1v95 h LYS 109 Ca 0.47 0.00 0.35 0.00 -1.87 0.00 0.00 60.65 59.61 1v95 h LYS 109 Cb 0.72 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.99 1v95 h LYS 109 CO -1.00 -0.03 0.87 -0.91 -0.57 0.00 0.00 179.45 177.81 1v95 h ASN 110 N -0.05 0.03 0.45 0.86 2.35 0.70 1.36 115.58 121.29 1v95 h ASN 110 Ca 0.03 0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.61 1v95 h ASN 110 Cb 0.09 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 1v95 h ASN 110 CO -0.07 0.00 -1.70 -0.62 -1.65 0.00 0.00 177.43 173.39 1v95 n GLU 111 N -4.20 0.64 0.04 0.81 1.02 -0.14 -3.61 120.64 115.20 1v95 n GLU 111 Ca 0.27 0.11 -0.02 0.00 -0.02 0.00 0.00 57.16 57.50 1v95 n GLU 111 Cb 1.27 -1.70 -0.01 0.00 -0.02 0.00 0.00 31.44 30.98 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 -0.24 -0.22 -3.63 0.00 1.12 -0.11 -3.48 114.38 107.82 1v95 h ARG 113 Ca -0.01 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1v95 h ARG 113 Cb 0.08 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.09 1v95 h ARG 113 CO 0.02 -0.15 -0.84 -1.91 -3.11 0.00 0.00 179.97 173.98 1v95 n GLU 114 N -5.14 -4.61 -0.22 0.20 4.07 -1.24 -4.61 120.64 109.08 1v95 n GLU 114 Ca -0.01 3.33 -0.01 0.00 -0.06 0.00 0.00 57.16 60.41 1v95 n GLU 114 Cb 0.29 -3.65 0.06 0.00 -0.06 0.00 0.00 31.44 28.08 1v95 n GLU 114 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1v95 h LYS 115 N 2.73 -0.02 -1.97 5.31 1.57 -1.92 -3.37 116.57 118.89 1v95 h LYS 115 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1v95 h LYS 115 Cb 0.00 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.01 1v95 h LYS 115 CO 0.00 -0.01 -0.54 -1.21 -0.57 0.00 0.00 179.45 177.12 1v95 s GLU 116 N -6.21 0.34 0.16 3.15 2.02 -1.26 -5.13 118.70 111.77 1v95 s GLU 116 Ca -0.14 0.27 -0.23 0.00 0.02 0.00 0.00 54.97 54.88 1v95 s GLU 116 Cb 0.20 -0.56 -0.14 0.00 0.10 0.00 0.00 34.13 33.73 1v95 s GLU 116 CO 0.73 -0.81 0.44 0.54 0.02 0.00 0.00 175.26 176.18 1v95 n ARG 117 N 5.35 0.00 -0.94 1.61 1.74 -1.26 -4.78 116.66 118.38 1v95 n ARG 117 Ca -0.02 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.71 1v95 n ARG 117 Cb 0.49 -0.83 0.07 0.00 -1.02 0.00 0.00 32.46 31.17 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 0.83 -0.10 -1.37 5.56 2.13 -1.26 -4.87 120.64 121.56 1v95 n GLU 118 Ca 0.15 -0.01 -0.28 0.00 0.66 0.00 0.00 57.16 57.68 1v95 n GLU 118 Cb 0.20 -1.40 0.10 0.00 0.27 0.00 0.00 31.44 30.61 1v95 n GLU 118 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1v95 n GLU 119 N 0.54 2.66 -1.64 5.31 0.00 -1.26 -5.02 120.64 121.23 1v95 n GLU 119 Ca 0.03 -3.37 -0.64 0.00 0.00 0.00 0.00 57.16 53.17 1v95 n GLU 119 Cb 0.54 -2.22 -0.09 0.00 0.00 0.00 0.00 31.44 29.68 1v95 n GLU 119 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1v95 n ILE 120 N -0.95 0.00 -3.53 3.84 2.08 -1.26 -4.87 119.36 114.68 1v95 n ILE 120 Ca 0.56 -0.00 -0.28 0.00 0.56 0.00 0.00 62.75 63.59 1v95 n ILE 120 Cb 0.95 -0.30 -0.09 0.00 -0.75 0.00 0.00 39.64 39.46 1v95 n ILE 120 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1v95 n ALA 121 N 2.96 3.96 -3.15 -1.39 0.00 -1.26 -4.94 120.51 116.68 1v95 n ALA 121 Ca 0.26 -4.72 0.05 0.00 0.00 0.00 0.00 53.44 49.04 1v95 n ALA 121 Cb 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 1v95 n ALA 121 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1v95 s ARG 122 N -2.22 0.23 0.22 0.00 3.52 -1.26 -5.17 118.95 114.26 1v95 s ARG 122 Ca 0.35 0.29 0.07 0.00 -0.13 0.00 0.00 55.73 56.31 1v95 s ARG 122 Cb 0.09 0.15 -0.05 0.00 -1.56 0.00 0.00 34.95 33.58 1v95 s ARG 122 CO -0.05 -0.36 -0.10 -1.14 -0.81 0.00 0.00 175.30 172.84 1v95 s GLN 123 N 2.94 1.35 -0.31 5.12 0.74 -1.26 -5.08 119.66 123.16 1v95 s GLN 123 Ca 0.16 -1.63 -0.02 0.00 0.05 0.00 0.00 55.36 53.92 1v95 s GLN 123 Cb -0.06 -1.02 0.29 0.00 1.10 0.00 0.00 33.01 33.32 1v95 s GLN 123 CO -0.19 0.11 1.31 0.00 -0.55 0.00 0.00 175.29 175.97 1v95 n ALA 124 N -0.41 -3.80 -2.63 1.58 0.00 -1.26 -5.14 120.51 108.86 1v95 n ALA 124 Ca -0.07 -0.18 -0.37 0.00 0.00 0.00 0.00 53.44 52.82 1v95 n ALA 124 Cb 0.61 -3.48 -0.10 0.00 0.00 0.00 0.00 19.45 16.49 1v95 n ALA 124 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1v95 s SER 125 N -0.06 6.07 0.00 0.00 0.01 -1.26 -5.04 113.70 113.42 1v95 s SER 125 Ca 0.24 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.56 1v95 s SER 125 Cb 0.22 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.34 1v95 s SER 125 CO -0.09 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1v95 n GLY 126 N 4.66 0.85 3.81 3.44 0.00 -1.26 -5.17 105.19 111.52 1v95 n GLY 126 Ca -0.14 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 1v95 n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v95 s PRO 127 N -2.00 3.23 -0.14 1.61 0.04 -1.26 -5.01 135.00 131.47 1v95 s PRO 127 Ca 0.00 1.09 -0.14 0.00 0.04 0.00 0.00 61.00 61.99 1v95 s PRO 127 Cb 0.00 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 1v95 s PRO 127 CO 0.00 -0.87 0.23 0.77 0.04 0.00 0.00 177.00 177.16 1v95 h SER 128 N 0.04 0.00 -3.84 6.66 0.02 -2.03 -3.45 113.55 110.95 1v95 h SER 128 Ca -0.46 -0.38 -0.49 0.00 -0.84 0.00 0.00 61.79 59.63 1v95 h SER 128 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 1v95 h SER 128 CO 0.58 0.86 0.39 -0.94 -1.14 0.00 0.00 176.83 176.57 1v95 s SER 129 N -6.00 7.33 0.00 3.07 1.04 -1.26 -5.35 113.70 112.53 1v95 s SER 129 Ca -0.13 2.01 0.00 0.00 0.48 0.00 0.00 55.95 58.31 1v95 s SER 129 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1v95 s SER 129 CO 0.34 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.09