#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v95 n SER 2 N 0.00 1.09 -1.34 1.61 7.64 -1.26 -5.14 113.62 116.22 1v95 n SER 2 Ca 0.00 0.14 0.16 0.00 1.01 0.00 0.00 58.87 60.19 1v95 n SER 2 Cb 0.00 -0.34 -0.06 0.00 -1.01 0.00 0.00 64.21 62.80 1v95 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1v95 n SER 3 N -3.53 -7.63 -4.73 6.43 3.41 -1.26 -4.73 113.62 101.58 1v95 n SER 3 Ca -0.01 0.89 -0.41 0.00 -0.26 0.00 0.00 58.87 59.07 1v95 n SER 3 Cb 0.08 -4.30 -0.04 0.00 -0.26 0.00 0.00 64.21 59.69 1v95 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1v95 s GLY 4 N -6.67 3.00 0.20 5.00 0.00 -1.26 -5.05 107.32 102.53 1v95 s GLY 4 Ca 0.00 0.59 0.11 0.00 0.00 0.00 0.00 44.72 45.42 1v95 s GLY 4 CO 0.00 1.47 -0.23 -0.45 0.00 0.00 0.00 173.10 173.89 1v95 s SER 5 N 0.00 3.48 0.00 1.64 0.15 -1.26 -4.94 113.70 112.78 1v95 s SER 5 Ca 0.47 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1v95 s SER 5 Cb -0.24 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 1v95 s SER 5 CO 0.30 0.11 0.00 -1.54 1.20 0.00 0.00 173.24 173.31 1v95 n SER 6 N 0.17 0.00 0.00 5.45 3.41 -1.26 -5.16 113.62 116.23 1v95 n SER 6 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1v95 n SER 6 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1v95 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v95 n GLY 7 N 0.00 0.77 3.73 5.00 0.00 -1.26 -5.07 105.19 108.36 1v95 n GLY 7 Ca 0.00 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.35 4.53 -0.08 1.61 0.04 -1.26 -4.85 135.00 133.65 1v95 s PRO 8 Ca 0.00 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 62.78 1v95 s PRO 8 Cb 0.00 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.26 1v95 s PRO 8 CO 0.00 -0.05 -0.05 0.08 0.04 0.00 0.00 177.00 177.02 1v95 s VAL 9 N 0.22 0.74 0.26 -0.36 1.01 -1.26 -4.96 120.40 116.04 1v95 s VAL 9 Ca 0.53 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 1v95 s VAL 9 Cb -0.29 -0.79 0.31 0.00 0.00 0.00 0.00 36.38 35.60 1v95 s VAL 9 CO 0.33 0.31 1.62 0.44 0.00 0.00 0.00 175.10 177.80 1v95 h ASP 10 N 7.98 -0.41 -3.48 3.32 3.32 -1.60 -3.35 116.42 122.21 1v95 h ASP 10 Ca -0.27 0.21 -0.35 0.00 0.02 0.00 0.00 57.03 56.64 1v95 h ASP 10 Cb 1.14 0.38 -0.34 0.00 0.22 0.00 0.00 39.33 40.73 1v95 h ASP 10 CO 0.37 -0.22 -0.75 0.00 -1.72 0.00 0.00 179.24 176.92 1v95 s SER 12 N 1.08 4.21 -0.26 0.00 0.01 -0.25 -2.68 113.70 115.82 1v95 s SER 12 Ca -0.09 -0.39 -0.23 0.00 1.31 0.00 0.00 55.95 56.55 1v95 s SER 12 Cb -0.14 -1.71 -0.01 0.00 0.21 0.00 0.00 66.02 64.38 1v95 s SER 12 CO -0.02 0.01 0.75 -0.69 0.41 0.00 0.00 173.24 173.70 1v95 s VAL 13 N 1.30 4.88 -0.44 3.43 1.01 -0.69 0.50 120.40 130.40 1v95 s VAL 13 Ca 0.04 1.35 -0.12 0.00 0.00 0.00 0.00 61.98 63.25 1v95 s VAL 13 Cb -0.14 -4.06 0.07 0.00 0.00 0.00 0.00 36.38 32.25 1v95 s VAL 13 CO -0.03 -0.06 0.32 -0.63 0.00 0.00 0.00 175.10 174.70 1v95 s ILE 14 N 2.74 4.71 -0.48 2.22 -1.09 0.51 -1.11 121.20 128.71 1v95 s ILE 14 Ca 0.31 -1.22 -0.03 0.00 -2.23 0.00 0.00 60.65 57.48 1v95 s ILE 14 Cb -0.15 -3.84 0.13 0.00 -1.58 0.00 0.00 42.46 37.02 1v95 s ILE 14 CO 0.08 -0.53 0.28 0.54 -1.23 0.00 0.00 174.94 174.09 1v95 s VAL 15 N 1.53 3.47 -1.24 2.92 0.11 -0.90 0.19 120.40 126.47 1v95 s VAL 15 Ca 0.03 -2.31 -0.16 0.00 -2.93 0.00 0.00 61.98 56.62 1v95 s VAL 15 Cb -0.23 -3.34 -0.03 0.00 -1.53 0.00 0.00 36.38 31.25 1v95 s VAL 15 CO 0.04 -0.75 2.19 1.33 -3.33 0.00 0.00 175.10 174.58 1v95 n VAL 16 N 4.29 2.97 0.00 2.04 0.24 -1.25 -2.64 118.33 123.99 1v95 n VAL 16 Ca 0.00 -2.48 0.00 0.00 -2.04 0.00 0.00 64.34 59.83 1v95 n VAL 16 Cb 0.40 -2.50 0.00 0.00 -1.47 0.00 0.00 33.84 30.27 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 6.26 0.00 -0.60 -1.34 4.13 -0.98 -4.94 115.26 117.79 1v95 n ASN 17 Ca 0.53 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.85 1v95 n ASN 17 Cb 0.37 0.00 0.19 0.00 -1.54 0.00 0.00 39.78 38.81 1v95 n ASN 17 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1v95 n LYS 18 N -0.62 1.83 -0.09 3.52 4.76 -1.26 -4.41 118.16 121.88 1v95 n LYS 18 Ca 0.00 -2.93 -0.18 0.00 -2.87 0.00 0.00 58.31 52.33 1v95 n LYS 18 Cb 0.00 -1.67 -0.06 0.00 -1.84 0.00 0.00 35.03 31.46 1v95 n LYS 18 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1v95 n GLN 19 N -1.10 0.45 -1.12 1.97 0.00 -1.26 -4.63 117.38 111.70 1v95 n GLN 19 Ca 0.21 0.19 -0.30 0.00 -0.00 0.00 0.00 57.00 57.11 1v95 n GLN 19 Cb 0.79 -1.27 -0.06 0.00 0.00 0.00 0.00 30.24 29.71 1v95 n GLN 19 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1v95 n THR 20 N -4.08 3.62 -0.07 1.69 -2.24 -1.26 -4.36 114.28 107.58 1v95 n THR 20 Ca -0.33 -2.10 -0.09 0.00 -2.27 0.00 0.00 64.05 59.26 1v95 n THR 20 Cb 0.68 -2.38 -0.06 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 4.86 0.00 0.06 -0.78 3.64 -1.89 -2.57 116.57 119.89 1v95 h LYS 21 Ca 0.65 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 60.03 1v95 h LYS 21 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1v95 h LYS 21 CO 1.39 0.47 -0.03 -0.44 -2.27 0.00 0.00 179.45 178.57 1v95 h ASP 22 N -1.00 -0.07 0.58 4.20 3.32 -1.97 0.26 116.42 121.74 1v95 h ASP 22 Ca -0.06 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 1v95 h ASP 22 Cb 0.62 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1v95 h ASP 22 CO -0.04 0.03 -0.50 0.22 -1.72 0.00 0.00 179.24 177.23 1v95 h TYR 23 N -0.17 -1.38 -0.93 4.55 5.03 -1.88 -1.47 116.97 120.73 1v95 h TYR 23 Ca -0.01 0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.45 1v95 h TYR 23 Cb 0.14 0.53 -0.09 0.00 1.55 0.00 0.00 36.73 38.86 1v95 h TYR 23 CO -0.05 -0.69 0.55 0.00 -1.32 0.00 0.00 178.16 176.65 1v95 h ALA 24 N -0.94 1.44 0.00 1.82 0.00 -1.43 1.08 119.26 121.22 1v95 h ALA 24 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1v95 h ALA 24 Cb 0.90 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1v95 h ALA 24 CO -0.02 0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.67 1v95 n GLU 25 N -4.75 0.06 0.00 0.00 1.02 0.92 -2.11 120.64 115.79 1v95 n GLU 25 Ca 0.19 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 1v95 n GLU 25 Cb 0.42 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1v95 n GLU 25 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1v95 n SER 26 N -1.78 0.00 -0.62 1.62 2.88 0.37 -2.73 113.62 113.36 1v95 n SER 26 Ca 0.01 0.28 0.49 0.00 -1.33 0.00 0.00 58.87 58.31 1v95 n SER 26 Cb 0.07 -0.47 0.78 0.00 -0.75 0.00 0.00 64.21 63.84 1v95 n SER 26 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1v95 h VAL 27 N 0.00 0.04 -0.03 2.46 3.04 -1.40 1.62 116.25 121.98 1v95 h VAL 27 Ca 0.00 -0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.63 1v95 h VAL 27 Cb 0.00 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.31 1v95 h VAL 27 CO 0.00 0.00 -0.20 1.23 -1.01 0.00 0.00 177.57 177.60 1v95 h GLY 28 N 0.01 0.21 2.00 3.17 0.00 -1.58 -2.97 103.07 103.91 1v95 h GLY 28 Ca 0.90 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.89 1v95 h GLY 28 CO -0.13 0.27 -0.19 0.07 0.00 0.00 0.00 176.54 176.55 1v95 h ARG 29 N -0.41 0.00 -0.52 4.80 0.11 0.23 -2.28 114.38 116.31 1v95 h ARG 29 Ca -0.02 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.99 1v95 h ARG 29 Cb 0.88 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.94 1v95 h ARG 29 CO 0.04 0.19 0.03 0.87 0.10 0.00 0.00 179.97 181.20 1v95 h LYS 30 N 0.00 0.90 0.00 0.08 1.79 -0.04 -0.99 116.57 118.31 1v95 h LYS 30 Ca -0.00 -0.27 -0.05 0.00 -2.18 0.00 0.00 60.65 58.14 1v95 h LYS 30 Cb 0.46 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1v95 h LYS 30 CO 0.03 0.91 -0.26 0.28 -1.08 0.00 0.00 179.45 179.33 1v95 h VAL 31 N 0.77 0.77 -0.02 0.50 2.07 -1.26 -2.37 116.25 116.71 1v95 h VAL 31 Ca 0.15 -1.07 -0.18 0.00 0.82 0.00 0.00 66.70 66.43 1v95 h VAL 31 Cb 0.49 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1v95 h VAL 31 CO 0.02 0.25 -0.77 0.03 0.02 0.00 0.00 177.57 177.12 1v95 h ARG 32 N 0.00 0.19 0.00 1.57 3.08 -0.95 -2.66 114.38 115.61 1v95 h ARG 32 Ca -0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1v95 h ARG 32 Cb 0.64 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1v95 h ARG 32 CO 0.03 0.87 0.00 0.22 -1.07 0.00 0.00 179.97 180.02 1v95 h ASP 33 N 0.12 0.00 0.50 7.04 1.82 -0.65 0.47 116.42 125.71 1v95 h ASP 33 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1v95 h ASP 33 Cb 1.35 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.36 1v95 h ASP 33 CO 0.12 0.00 -0.65 0.18 -1.61 0.00 0.00 179.24 177.27 1v95 n LEU 34 N -2.48 0.59 0.00 2.28 4.77 -1.04 -4.93 117.00 116.19 1v95 n LEU 34 Ca -0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1v95 n LEU 34 Cb 0.10 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1v95 n LEU 34 CO 0.15 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1v95 n GLY 35 N 1.45 1.65 3.38 -0.72 0.00 0.16 -5.09 105.19 106.02 1v95 n GLY 35 Ca 0.04 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.59 2.84 -0.01 1.61 1.00 -1.03 -5.02 119.30 117.11 1v95 s MET 36 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 55.69 54.64 1v95 s MET 36 Cb 0.00 -2.41 -0.07 0.00 0.00 0.00 0.00 34.83 32.35 1v95 s MET 36 CO 0.00 0.41 1.69 0.08 0.00 0.00 0.00 175.02 177.19 1v95 s VAL 37 N -0.18 3.36 0.08 -6.03 1.01 -1.26 -3.53 120.40 113.85 1v95 s VAL 37 Ca -0.01 0.57 0.06 0.00 0.00 0.00 0.00 61.98 62.60 1v95 s VAL 37 Cb -0.13 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1v95 s VAL 37 CO 0.03 -0.04 -0.17 -0.69 0.00 0.00 0.00 175.10 174.24 1v95 s VAL 38 N 3.65 1.36 0.17 2.92 1.01 -1.26 -1.19 120.40 127.06 1v95 s VAL 38 Ca 0.75 -1.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1v95 s VAL 38 Cb -0.36 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1v95 s VAL 38 CO 0.32 -0.10 0.10 -0.62 0.00 0.00 0.00 175.10 174.80 1v95 s ASP 39 N -1.67 0.21 -0.11 3.32 2.15 -1.09 -5.00 116.67 114.48 1v95 s ASP 39 Ca 0.02 -1.30 0.03 0.00 0.43 0.00 0.00 52.55 51.73 1v95 s ASP 39 Cb -0.10 0.35 0.01 0.00 -0.30 0.00 0.00 42.92 42.88 1v95 s ASP 39 CO 0.03 -0.80 -0.21 -0.76 -0.17 0.00 0.00 175.17 173.26 1v95 s LEU 40 N -3.11 1.98 -0.29 -1.34 1.02 -1.26 -1.70 118.68 113.98 1v95 s LEU 40 Ca 0.32 -0.52 -0.01 0.00 0.02 0.00 0.00 54.13 53.94 1v95 s LEU 40 Cb 0.07 -1.29 0.05 0.00 0.02 0.00 0.00 46.19 45.04 1v95 s LEU 40 CO 0.08 0.10 -0.01 -0.63 0.02 0.00 0.00 176.35 175.90 1v95 s ILE 41 N 0.60 2.89 -0.30 -0.59 1.01 -0.27 -4.98 121.20 119.57 1v95 s ILE 41 Ca -0.13 -1.41 -0.16 0.00 0.00 0.00 0.00 60.65 58.95 1v95 s ILE 41 Cb -0.17 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 1v95 s ILE 41 CO 0.04 -0.09 0.44 -0.36 0.00 0.00 0.00 174.94 174.96 1v95 s PHE 42 N 1.24 3.22 -0.13 3.97 0.08 -1.26 -2.12 117.98 122.99 1v95 s PHE 42 Ca -0.06 0.31 -0.02 0.00 0.12 0.00 0.00 56.93 57.28 1v95 s PHE 42 Cb -0.20 -2.72 -0.03 0.00 -0.57 0.00 0.00 43.02 39.51 1v95 s PHE 42 CO -0.02 -0.36 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.20 1v95 s LEU 43 N 2.20 3.29 -0.30 -0.37 1.43 -1.08 -4.99 118.68 118.86 1v95 s LEU 43 Ca 0.17 -0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 1v95 s LEU 43 Cb -0.16 -1.77 0.19 0.00 0.03 0.00 0.00 46.19 44.49 1v95 s LEU 43 CO 0.11 0.24 1.22 0.54 0.23 0.00 0.00 176.35 178.69 1v95 s ASN 44 N -0.08 -0.15 -1.53 2.29 4.22 -1.26 -2.33 114.94 116.09 1v95 s ASN 44 Ca 0.02 0.23 -0.15 0.00 -2.14 0.00 0.00 52.86 50.82 1v95 s ASN 44 Cb -0.13 1.12 0.15 0.00 1.28 0.00 0.00 41.25 43.67 1v95 s ASN 44 CO 0.02 -0.03 0.38 0.35 -2.04 0.00 0.00 177.10 175.78 1v95 n THR 45 N 3.91 -0.22 0.02 0.54 -2.24 -1.26 -4.57 114.28 110.45 1v95 n THR 45 Ca -0.12 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1v95 n THR 45 Cb 0.56 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1v95 n THR 45 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1v95 n GLU 46 N -3.67 0.00 -4.35 -0.78 2.13 -1.26 -5.16 120.64 107.55 1v95 n GLU 46 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 1v95 n GLU 46 Cb 0.44 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.07 1v95 n GLU 46 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1v95 s VAL 47 N -1.13 0.13 0.43 6.31 -7.23 -1.26 -5.13 120.40 112.52 1v95 s VAL 47 Ca 0.00 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 1v95 s VAL 47 Cb 0.00 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 1v95 s VAL 47 CO 0.00 0.00 0.33 -0.55 -0.31 0.00 0.00 175.10 174.57 1v95 s SER 48 N -3.44 4.82 0.09 4.85 0.15 -1.26 -4.40 113.70 114.51 1v95 s SER 48 Ca 0.36 -0.90 -0.30 0.00 0.70 0.00 0.00 55.95 55.81 1v95 s SER 48 Cb 0.02 -0.41 -0.12 0.00 -1.71 0.00 0.00 66.02 63.79 1v95 s SER 48 CO 0.25 -0.68 1.48 0.25 1.20 0.00 0.00 173.24 175.73 1v95 h LEU 49 N 1.10 -1.40 -0.91 3.45 6.46 -2.00 -1.67 115.31 120.34 1v95 h LEU 49 Ca -0.41 0.15 0.15 0.00 -0.12 0.00 0.00 57.88 57.65 1v95 h LEU 49 Cb 1.27 0.53 -0.16 0.00 -0.73 0.00 0.00 40.66 41.57 1v95 h LEU 49 CO 0.61 -0.46 -0.35 0.77 -0.62 0.00 0.00 178.44 178.38 1v95 h SER 50 N -0.61 -1.28 -1.28 1.25 4.64 -1.97 1.48 113.55 115.78 1v95 h SER 50 Ca 0.00 0.29 0.43 0.00 -0.47 0.00 0.00 61.79 62.04 1v95 h SER 50 Cb 0.64 0.69 -0.13 0.00 -0.31 0.00 0.00 62.40 63.29 1v95 h SER 50 CO -0.28 -0.30 0.81 -0.61 -0.87 0.00 0.00 176.83 175.58 1v95 h GLN 51 N -0.03 0.09 0.18 4.77 5.75 -1.70 1.47 115.11 125.64 1v95 h GLN 51 Ca 0.35 -0.01 -0.28 0.00 -0.15 0.00 0.00 58.65 58.56 1v95 h GLN 51 Cb 0.61 -0.02 0.02 0.00 1.07 0.00 0.00 27.48 29.16 1v95 h GLN 51 CO -0.93 0.06 -1.29 0.00 -2.65 0.00 0.00 178.83 174.02 1v95 h ALA 52 N 1.65 -0.03 -0.92 3.38 0.00 0.22 -3.05 119.26 120.50 1v95 h ALA 52 Ca 0.82 -0.89 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1v95 h ALA 52 Cb 2.50 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 20.49 1v95 h ALA 52 CO -0.46 0.66 0.60 -0.07 0.00 0.00 0.00 179.25 179.98 1v95 h LEU 53 N -0.12 0.99 -0.27 0.00 3.38 0.36 0.49 115.31 120.13 1v95 h LEU 53 Ca -0.24 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1v95 h LEU 53 Cb 1.91 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 1v95 h LEU 53 CO 0.18 0.67 0.12 -0.08 0.09 0.00 0.00 178.44 179.42 1v95 h GLU 54 N 1.14 0.40 0.00 1.13 4.81 0.14 -1.28 114.58 120.92 1v95 h GLU 54 Ca 0.37 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.45 1v95 h GLU 54 Cb 0.04 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1v95 h GLU 54 CO -0.12 0.41 -0.39 0.22 -0.73 0.00 0.00 179.01 178.41 1v95 h ASP 55 N 0.29 0.00 0.41 1.04 3.58 -1.24 -0.22 116.42 120.29 1v95 h ASP 55 Ca 0.09 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 1v95 h ASP 55 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1v95 h ASP 55 CO -0.01 0.39 -0.20 0.58 -2.88 0.00 0.00 179.24 177.12 1v95 h VAL 56 N 0.00 0.60 0.51 2.25 2.07 0.58 1.15 116.25 123.41 1v95 h VAL 56 Ca -0.00 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1v95 h VAL 56 Cb 0.72 0.68 0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1v95 h VAL 56 CO 0.05 0.03 -0.25 -1.28 0.02 0.00 0.00 177.57 176.14 1v95 h SER 57 N -0.64 -0.58 -0.91 0.57 0.87 -1.12 0.59 113.55 112.32 1v95 h SER 57 Ca -0.06 0.02 0.21 0.00 -1.23 0.00 0.00 61.79 60.73 1v95 h SER 57 Cb 0.47 0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 62.52 1v95 h SER 57 CO 0.09 -0.32 0.60 0.08 -0.53 0.00 0.00 176.83 176.76 1v95 h ARG 58 N -0.89 0.38 -0.05 2.24 0.11 -1.11 0.53 114.38 115.58 1v95 h ARG 58 Ca -0.07 -0.02 -0.12 0.00 0.10 0.00 0.00 59.98 59.87 1v95 h ARG 58 Cb 0.53 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.51 1v95 h ARG 58 CO 0.12 0.25 -0.50 0.78 0.10 0.00 0.00 179.97 180.71 1v95 h GLY 59 N 0.39 0.14 0.00 0.08 0.00 0.15 -3.47 103.07 100.36 1v95 h GLY 59 Ca 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1v95 h GLY 59 CO -0.18 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.11 1v95 n GLY 60 N -0.02 0.77 3.33 4.60 0.00 0.18 -4.01 105.19 110.04 1v95 n GLY 60 Ca -0.02 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.46 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 0.69 0.06 1.61 7.64 0.19 -4.77 113.62 119.04 1v95 n SER 61 Ca 0.00 0.52 -0.12 0.00 1.01 0.00 0.00 58.87 60.29 1v95 n SER 61 Cb 0.00 -0.92 -0.02 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 10.04 0.40 -6.49 1.43 0.13 -1.70 -3.36 132.00 132.44 1v95 h PRO 62 Ca -0.09 -0.39 -0.68 0.00 -0.87 0.00 0.00 66.00 63.97 1v95 h PRO 62 Cb 1.38 0.10 -0.20 0.00 0.13 0.00 0.00 31.00 32.41 1v95 h PRO 62 CO 1.17 1.05 -0.77 -0.06 -0.23 0.00 0.00 178.00 179.16 1v95 s PHE 63 N -3.40 2.67 -0.06 1.56 0.08 -1.01 0.19 117.98 118.01 1v95 s PHE 63 Ca -0.06 -0.19 -0.02 0.00 0.12 0.00 0.00 56.93 56.79 1v95 s PHE 63 Cb 0.09 -1.50 0.04 0.00 -0.57 0.00 0.00 43.02 41.08 1v95 s PHE 63 CO 0.85 0.30 0.11 0.00 -0.10 0.00 0.00 175.22 176.39 1v95 s ALA 64 N -0.97 -0.04 -0.07 5.36 0.00 -0.97 -1.09 121.76 123.98 1v95 s ALA 64 Ca 0.16 0.45 -0.10 0.00 0.00 0.00 0.00 51.96 52.46 1v95 s ALA 64 Cb -0.11 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 1v95 s ALA 64 CO 0.07 -0.37 0.26 0.42 0.00 0.00 0.00 175.76 176.13 1v95 s ILE 65 N 1.80 5.30 -0.11 0.00 1.01 0.18 -1.37 121.20 128.00 1v95 s ILE 65 Ca -0.01 0.49 -0.04 0.00 0.00 0.00 0.00 60.65 61.08 1v95 s ILE 65 Cb -0.12 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1v95 s ILE 65 CO -0.05 0.60 0.04 -0.69 0.00 0.00 0.00 174.94 174.84 1v95 s VAL 66 N -1.06 4.59 0.12 2.92 1.01 -0.31 0.19 120.40 127.88 1v95 s VAL 66 Ca 0.19 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.11 1v95 s VAL 66 Cb -0.14 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1v95 s VAL 66 CO 0.08 0.58 -0.16 -0.63 0.00 0.00 0.00 175.10 174.97 1v95 s ILE 67 N -0.61 1.46 -0.16 2.22 -1.09 0.13 -2.98 121.20 120.16 1v95 s ILE 67 Ca 0.11 -1.66 -0.34 0.00 -2.23 0.00 0.00 60.65 56.52 1v95 s ILE 67 Cb -0.12 -1.53 0.13 0.00 -1.58 0.00 0.00 42.46 39.37 1v95 s ILE 67 CO 0.02 -0.31 1.15 0.28 -1.23 0.00 0.00 174.94 174.86 1v95 s THR 68 N -1.82 0.00 0.07 2.92 -1.32 -1.26 -3.74 115.64 110.48 1v95 s THR 68 Ca 0.08 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.43 1v95 s THR 68 Cb -0.07 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.89 1v95 s THR 68 CO 0.04 0.00 1.20 0.00 -2.21 0.00 0.00 174.62 173.64 1v95 n GLN 69 N -0.07 -0.19 0.04 7.08 6.02 -1.26 -0.58 117.38 128.42 1v95 n GLN 69 Ca -0.01 1.18 -0.15 0.00 -0.01 0.00 0.00 57.00 58.01 1v95 n GLN 69 Cb 0.59 -1.75 -0.09 0.00 1.02 0.00 0.00 30.24 30.00 1v95 n GLN 69 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1v95 h GLN 70 N 0.00 -0.61 -1.65 -1.09 5.75 -1.97 0.26 115.11 115.80 1v95 h GLN 70 Ca 0.07 0.04 0.52 0.00 -0.15 0.00 0.00 58.65 59.13 1v95 h GLN 70 Cb 0.18 0.14 -0.11 0.00 1.07 0.00 0.00 27.48 28.76 1v95 h GLN 70 CO -0.41 -0.40 1.13 0.45 -2.65 0.00 0.00 178.83 176.94 1v95 h HIS 71 N -0.63 0.27 0.02 3.99 3.86 -1.31 1.50 115.15 122.85 1v95 h HIS 71 Ca 0.03 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1v95 h HIS 71 Cb 0.70 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.11 1v95 h HIS 71 CO -0.51 -0.15 -0.01 0.37 0.86 0.00 0.00 177.93 178.49 1v95 h GLN 72 N 0.01 -0.03 0.80 2.45 4.15 0.20 1.02 115.11 123.72 1v95 h GLN 72 Ca 0.90 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 60.29 1v95 h GLN 72 Cb 3.25 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 30.94 1v95 h GLN 72 CO -0.25 0.29 -0.49 0.82 -1.93 0.00 0.00 178.83 177.27 1v95 h ILE 73 N -0.35 0.00 0.00 2.39 2.04 0.24 -0.85 117.51 120.99 1v95 h ILE 73 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1v95 h ILE 73 Cb 0.33 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1v95 h ILE 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.56 1v95 n HIS 74 N -5.58 0.04 -3.70 1.37 8.25 -0.35 -4.84 115.22 110.42 1v95 n HIS 74 Ca -0.15 0.02 -0.28 0.00 -0.26 0.00 0.00 57.72 57.05 1v95 n HIS 74 Cb 0.50 -0.53 0.03 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.54 -5.39 -4.34 -0.41 3.00 0.30 -4.97 116.66 103.32 1v95 n ARG 75 Ca 0.03 0.64 -0.20 0.00 -0.01 0.00 0.00 57.85 58.31 1v95 n ARG 75 Cb 0.13 -5.52 -0.13 0.00 0.00 0.00 0.00 32.46 26.94 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 -3.14 1.59 0.45 0.55 1.04 0.16 -3.96 113.70 110.39 1v95 s SER 76 Ca 0.58 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.60 1v95 s SER 76 Cb -0.29 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 1v95 s SER 76 CO 0.72 0.03 0.04 0.00 0.98 0.00 0.00 173.24 175.00 1v95 s THR 78 N -2.95 2.81 -0.13 0.00 2.01 -1.16 -2.99 115.64 113.23 1v95 s THR 78 Ca 0.19 -1.02 -0.20 0.00 0.31 0.00 0.00 61.69 60.98 1v95 s THR 78 Cb 0.04 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 1v95 s THR 78 CO 0.10 0.22 0.55 -0.69 -0.69 0.00 0.00 174.62 174.11 1v95 s VAL 79 N 1.32 5.13 -0.22 3.82 1.01 -1.19 -1.16 120.40 129.11 1v95 s VAL 79 Ca 0.00 1.08 -0.00 0.00 0.00 0.00 0.00 61.98 63.06 1v95 s VAL 79 Cb -0.16 -3.88 0.06 0.00 0.00 0.00 0.00 36.38 32.39 1v95 s VAL 79 CO -0.05 0.26 -0.04 0.20 0.00 0.00 0.00 175.10 175.47 1v95 s ASN 80 N 0.82 3.54 0.34 3.32 0.01 -0.47 -2.08 114.94 120.42 1v95 s ASN 80 Ca 0.28 -1.04 -0.26 0.00 -0.71 0.00 0.00 52.86 51.13 1v95 s ASN 80 Cb -0.16 -1.03 -0.10 0.00 0.41 0.00 0.00 41.25 40.38 1v95 s ASN 80 CO 0.12 -0.24 0.99 -0.63 -1.51 0.00 0.00 177.10 175.82 1v95 s ILE 81 N 1.52 4.00 -0.11 0.60 1.01 -1.21 -2.30 121.20 124.71 1v95 s ILE 81 Ca -0.04 1.66 0.13 0.00 0.00 0.00 0.00 60.65 62.40 1v95 s ILE 81 Cb -0.18 -3.92 -0.18 0.00 0.01 0.00 0.00 42.46 38.19 1v95 s ILE 81 CO -0.07 0.14 0.11 0.23 0.00 0.00 0.00 174.94 175.35 1v95 n MET 82 N 0.47 1.49 -3.98 2.79 2.81 0.51 -4.65 117.12 116.57 1v95 n MET 82 Ca 0.02 -0.04 -0.30 0.00 -1.81 0.00 0.00 57.70 55.58 1v95 n MET 82 Cb 0.49 -1.34 -0.05 0.00 -0.71 0.00 0.00 33.22 31.61 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 -2.48 3.38 0.02 2.03 -0.12 -1.25 -5.00 117.98 114.56 1v95 s PHE 83 Ca -0.06 0.16 0.00 0.00 -0.05 0.00 0.00 56.93 56.98 1v95 s PHE 83 Cb 0.05 -1.69 0.00 0.00 -0.63 0.00 0.00 43.02 40.76 1v95 s PHE 83 CO 0.56 0.55 0.00 0.41 -0.05 0.00 0.00 175.22 176.70 1v95 n GLY 84 N 0.20 -1.69 3.42 1.99 0.00 -1.26 -4.85 105.19 103.00 1v95 n GLY 84 Ca -0.07 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.03 1.56 -2.30 2.61 -1.04 -1.26 -4.79 114.28 108.04 1v95 n THR 85 Ca 0.00 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.11 1v95 n THR 85 Cb 0.04 -0.44 -0.03 0.00 -1.82 0.00 0.00 70.33 68.07 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 -1.51 2.92 -0.21 -2.82 0.04 -1.26 -4.93 135.00 127.23 1v95 s PRO 86 Ca 0.63 0.18 -0.01 0.00 0.04 0.00 0.00 61.00 61.84 1v95 s PRO 86 Cb -0.59 -4.28 0.01 0.00 0.04 0.00 0.00 34.50 29.68 1v95 s PRO 86 CO 0.59 -2.43 -0.11 -0.65 0.04 0.00 0.00 177.00 174.44 1v95 s GLN 87 N 6.37 3.10 -0.32 4.56 -1.52 -1.26 -5.08 119.66 125.51 1v95 s GLN 87 Ca 0.51 -0.79 -0.03 0.00 -1.95 0.00 0.00 55.36 53.10 1v95 s GLN 87 Cb -0.10 -2.83 0.05 0.00 -0.22 0.00 0.00 33.01 29.91 1v95 s GLN 87 CO 0.18 -0.25 0.04 -2.00 -0.25 0.00 0.00 175.29 173.01 1v95 s GLU 88 N 1.37 2.47 -0.30 2.91 2.12 -1.26 -3.31 118.70 122.70 1v95 s GLU 88 Ca 0.04 -1.26 -0.19 0.00 0.36 0.00 0.00 54.97 53.92 1v95 s GLU 88 Cb -0.14 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 1v95 s GLU 88 CO -0.07 -0.65 0.56 -1.01 -0.54 0.00 0.00 175.26 173.54 1v95 s HIS 89 N 1.29 3.22 -0.19 5.30 3.76 -0.89 -5.04 115.29 122.75 1v95 s HIS 89 Ca -0.04 0.49 -0.05 0.00 -0.15 0.00 0.00 55.06 55.31 1v95 s HIS 89 Cb -0.20 -2.88 -0.03 0.00 1.11 0.00 0.00 32.58 30.58 1v95 s HIS 89 CO 0.00 -0.42 0.01 1.03 -0.85 0.00 0.00 174.74 174.51 1v95 s ARG 90 N 2.45 3.72 -0.20 1.40 0.52 -1.26 -3.15 118.95 122.43 1v95 s ARG 90 Ca 0.22 -0.48 -0.09 0.00 -0.52 0.00 0.00 55.73 54.86 1v95 s ARG 90 Cb -0.15 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.26 1v95 s ARG 90 CO 0.11 0.11 0.18 -1.71 0.02 0.00 0.00 175.30 174.01 1v95 n ASN 91 N 3.98 -2.08 -3.81 0.23 5.15 -1.26 -5.06 115.26 112.41 1v95 n ASN 91 Ca -0.17 1.27 -0.13 0.00 -0.60 0.00 0.00 54.58 54.95 1v95 n ASN 91 Cb 0.52 -4.97 -0.14 0.00 -0.53 0.00 0.00 39.78 34.65 1v95 n ASN 91 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1v95 s MET 92 N -0.89 0.04 0.30 1.20 -1.94 -1.16 -5.02 119.30 111.82 1v95 s MET 92 Ca -0.21 0.16 -0.29 0.00 -1.71 0.00 0.00 55.69 53.65 1v95 s MET 92 Cb 0.01 -0.09 -0.09 0.00 2.01 0.00 0.00 34.83 36.67 1v95 s MET 92 CO 0.74 -0.08 1.08 -1.25 -0.01 0.00 0.00 175.02 175.49 1v95 s PRO 93 N 0.55 4.58 0.05 2.03 0.04 -1.26 -2.80 135.00 138.18 1v95 s PRO 93 Ca -0.04 1.73 -0.10 0.00 0.04 0.00 0.00 61.00 62.63 1v95 s PRO 93 Cb -0.06 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 1v95 s PRO 93 CO -0.02 0.18 1.17 1.96 0.04 0.00 0.00 177.00 180.32 1v95 h GLN 94 N 3.61 -0.00 -0.88 4.56 4.20 -1.95 1.09 115.11 125.74 1v95 h GLN 94 Ca -0.47 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.39 1v95 h GLN 94 Cb 1.21 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.84 1v95 h GLN 94 CO 0.66 -0.00 -0.29 0.00 -0.67 0.00 0.00 178.83 178.53 1v95 n ALA 95 N -3.07 0.02 0.36 3.87 0.00 -1.26 0.14 120.51 120.57 1v95 n ALA 95 Ca 0.01 0.91 -0.18 0.00 0.00 0.00 0.00 53.44 54.18 1v95 n ALA 95 Cb 0.08 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.75 -1.03 0.00 5.19 -0.77 -1.09 116.42 117.97 1v95 h ASP 96 Ca 0.35 0.01 0.28 0.00 -0.62 0.00 0.00 57.03 57.05 1v95 h ASP 96 Cb 0.57 0.19 -0.13 0.00 0.18 0.00 0.00 39.33 40.15 1v95 h ASP 96 CO -0.89 -0.51 0.62 0.00 -3.12 0.00 0.00 179.24 175.34 1v95 h ALA 97 N -0.61 1.96 -0.08 3.45 0.00 0.63 1.66 119.26 126.28 1v95 h ALA 97 Ca -0.09 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1v95 h ALA 97 Cb 0.69 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1v95 h ALA 97 CO 0.15 -0.47 -0.31 0.52 0.00 0.00 0.00 179.25 179.13 1v95 h MET 98 N 0.45 0.14 0.21 0.00 2.86 0.19 0.14 114.93 118.92 1v95 h MET 98 Ca 0.67 -0.05 -0.32 0.00 -2.06 0.00 0.00 59.70 57.94 1v95 h MET 98 Cb 1.47 -0.01 0.03 0.00 0.06 0.00 0.00 31.60 33.14 1v95 h MET 98 CO -0.48 0.45 -1.49 -0.24 1.06 0.00 0.00 176.91 176.22 1v95 h VAL 99 N 0.13 1.18 0.00 -2.22 3.04 0.32 0.23 116.25 118.93 1v95 h VAL 99 Ca 0.02 -2.60 -0.05 0.00 -1.01 0.00 0.00 66.70 63.05 1v95 h VAL 99 Cb 0.62 2.96 -0.01 0.00 -2.01 0.00 0.00 31.29 32.85 1v95 h VAL 99 CO 0.05 0.81 -0.26 0.25 -1.01 0.00 0.00 177.57 177.41 1v95 h LEU 100 N 0.04 0.00 0.02 3.16 6.46 0.13 0.77 115.31 125.89 1v95 h LEU 100 Ca -0.28 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.31 1v95 h LEU 100 Cb 2.06 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.97 1v95 h LEU 100 CO 0.22 0.26 -0.93 1.62 -0.62 0.00 0.00 178.44 178.98 1v95 h VAL 101 N 0.00 1.18 -0.39 1.05 3.04 -0.77 -2.24 116.25 118.12 1v95 h VAL 101 Ca -0.00 -2.26 -0.00 0.00 -1.01 0.00 0.00 66.70 63.43 1v95 h VAL 101 Cb 0.47 2.63 -0.02 0.00 -2.01 0.00 0.00 31.29 32.36 1v95 h VAL 101 CO 0.03 0.46 0.23 0.00 -1.01 0.00 0.00 177.57 177.28 1v95 h ALA 102 N -0.29 1.68 0.04 3.17 0.00 -0.41 0.25 119.26 123.70 1v95 h ALA 102 Ca -0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1v95 h ALA 102 Cb 1.29 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1v95 h ALA 102 CO -0.11 0.28 -0.02 0.00 0.00 0.00 0.00 179.25 179.40 1v95 h ARG 103 N 0.53 -0.05 -0.64 0.00 2.47 0.44 -3.08 114.38 114.04 1v95 h ARG 103 Ca 0.14 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.97 1v95 h ARG 103 Cb -0.01 0.01 -0.12 0.00 -1.65 0.00 0.00 29.97 28.20 1v95 h ARG 103 CO -0.03 -0.03 -0.39 -0.91 0.56 0.00 0.00 179.97 179.17 1v95 h ASN 104 N -0.17 -1.36 -1.00 7.04 2.35 -1.39 0.03 115.58 121.09 1v95 h ASN 104 Ca -0.01 0.25 0.12 0.00 -0.55 0.00 0.00 56.30 56.12 1v95 h ASN 104 Cb 0.04 0.65 -0.14 0.00 0.05 0.00 0.00 38.32 38.92 1v95 h ASN 104 CO 0.01 -0.31 -0.48 0.00 -1.65 0.00 0.00 177.43 174.99 1v95 n TYR 105 N -5.42 -0.19 -0.26 1.19 9.36 0.88 0.38 117.16 123.10 1v95 n TYR 105 Ca 0.04 1.24 -0.05 0.00 3.32 0.00 0.00 57.90 62.44 1v95 n TYR 105 Cb 0.36 -0.74 -0.00 0.00 -0.63 0.00 0.00 39.34 38.33 1v95 n TYR 105 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1v95 h GLU 106 N 0.00 -0.13 0.57 2.98 4.39 -0.89 0.23 114.58 121.73 1v95 h GLU 106 Ca 0.26 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 1v95 h GLU 106 Cb 0.51 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1v95 h GLU 106 CO -0.97 -0.09 -0.27 0.00 -1.16 0.00 0.00 179.01 176.52 1v95 h ARG 107 N -0.13 -0.74 -1.16 2.33 3.08 -0.29 -1.74 114.38 115.73 1v95 h ARG 107 Ca 0.24 0.05 0.39 0.00 0.07 0.00 0.00 59.98 60.74 1v95 h ARG 107 Cb 0.56 0.17 -0.14 0.00 0.08 0.00 0.00 29.97 30.64 1v95 h ARG 107 CO -0.77 -0.46 0.71 -0.92 -1.07 0.00 0.00 179.97 177.46 1v95 h TYR 108 N -0.85 0.69 -0.08 3.04 3.20 0.11 0.87 116.97 123.95 1v95 h TYR 108 Ca -0.08 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 1v95 h TYR 108 Cb 0.62 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1v95 h TYR 108 CO -0.02 -0.24 -0.11 -0.22 -1.64 0.00 0.00 178.16 175.93 1v95 h LYS 109 N 0.15 0.22 -1.19 1.82 3.64 -0.21 0.26 116.57 121.26 1v95 h LYS 109 Ca 0.79 -0.13 0.34 0.00 -1.27 0.00 0.00 60.65 60.38 1v95 h LYS 109 Cb 2.23 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 33.98 1v95 h LYS 109 CO -0.53 0.68 0.81 -0.91 -2.27 0.00 0.00 179.45 177.24 1v95 h ASN 110 N -0.23 0.21 0.56 4.20 2.35 0.16 1.30 115.58 124.13 1v95 h ASN 110 Ca 0.01 0.05 -0.17 0.00 -0.55 0.00 0.00 56.30 55.64 1v95 h ASN 110 Cb 0.66 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 1v95 h ASN 110 CO 0.03 0.01 -1.57 -0.62 -1.65 0.00 0.00 177.43 173.63 1v95 n GLU 111 N -4.41 0.63 0.22 0.81 -0.58 -0.64 -3.96 120.64 112.71 1v95 n GLU 111 Ca 0.28 0.15 -0.12 0.00 -0.42 0.00 0.00 57.16 57.05 1v95 n GLU 111 Cb 1.17 -1.75 -0.06 0.00 -0.57 0.00 0.00 31.44 30.23 1v95 n GLU 111 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1v95 h ARG 113 N -1.06 0.14 -5.92 0.00 9.65 0.18 -3.34 114.38 114.04 1v95 h ARG 113 Ca -0.06 -0.01 -0.50 0.00 -1.10 0.00 0.00 59.98 58.31 1v95 h ARG 113 Cb 0.55 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.08 1v95 h ARG 113 CO 0.10 0.10 1.42 -1.21 2.80 0.00 0.00 179.97 183.17 1v95 s GLU 114 N -5.27 2.56 0.26 0.20 0.41 -1.14 -4.69 118.70 111.03 1v95 s GLU 114 Ca -0.07 0.87 -0.17 0.00 -0.41 0.00 0.00 54.97 55.19 1v95 s GLU 114 Cb 0.28 -4.42 0.06 0.00 -1.78 0.00 0.00 34.13 28.27 1v95 s GLU 114 CO 0.82 -2.79 0.84 0.36 -0.49 0.00 0.00 175.26 174.00 1v95 n LYS 115 N 9.08 0.81 -1.77 1.61 2.85 -1.26 -4.98 118.16 124.51 1v95 n LYS 115 Ca 0.24 -1.69 -0.39 0.00 -1.05 0.00 0.00 58.31 55.42 1v95 n LYS 115 Cb 0.52 2.18 -0.03 0.00 -0.65 0.00 0.00 35.03 37.05 1v95 n LYS 115 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1v95 n GLU 116 N -0.58 2.16 -2.44 -1.58 2.13 -1.26 -4.56 120.64 114.52 1v95 n GLU 116 Ca -0.05 -2.44 -0.02 0.00 0.66 0.00 0.00 57.16 55.31 1v95 n GLU 116 Cb 0.54 -3.30 -0.01 0.00 0.27 0.00 0.00 31.44 28.93 1v95 n GLU 116 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1v95 n ARG 117 N 7.35 -4.38 -0.89 5.31 1.74 -1.26 -4.88 116.66 119.64 1v95 n ARG 117 Ca 0.49 3.22 -0.35 0.00 -0.77 0.00 0.00 57.85 60.44 1v95 n ARG 117 Cb 0.43 -4.26 0.08 0.00 -1.02 0.00 0.00 32.46 27.69 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 1.87 -0.34 0.11 5.56 2.13 -1.26 -4.70 120.64 124.01 1v95 n GLU 118 Ca -0.13 -0.09 0.19 0.00 0.66 0.00 0.00 57.16 57.80 1v95 n GLU 118 Cb 0.20 -1.33 0.69 0.00 0.27 0.00 0.00 31.44 31.26 1v95 n GLU 118 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1v95 h GLU 119 N -1.32 0.00 -7.04 5.31 5.08 -1.99 -3.40 114.58 111.22 1v95 h GLU 119 Ca -0.44 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.41 1v95 h GLU 119 Cb 1.33 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.65 1v95 h GLU 119 CO 0.28 0.00 0.46 0.42 -1.00 0.00 0.00 179.01 179.17 1v95 s ILE 120 N -4.45 3.12 -0.50 3.13 1.01 -1.26 -4.99 121.20 117.26 1v95 s ILE 120 Ca -0.04 0.78 0.07 0.00 0.00 0.00 0.00 60.65 61.47 1v95 s ILE 120 Cb 0.13 -3.36 0.25 0.00 0.01 0.00 0.00 42.46 39.49 1v95 s ILE 120 CO 0.45 -0.07 0.63 0.00 0.00 0.00 0.00 174.94 175.95 1v95 n ALA 121 N -0.84 3.19 -2.47 9.38 0.00 -1.26 -5.00 120.51 123.52 1v95 n ALA 121 Ca 0.09 -4.04 -0.04 0.00 0.00 0.00 0.00 53.44 49.45 1v95 n ALA 121 Cb 0.49 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 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 1.12 -4.51 -3.79 0.00 0.63 -1.26 -5.07 116.66 103.78 1v95 n ARG 122 Ca 0.25 3.39 -0.13 0.00 -0.92 0.00 0.00 57.85 60.44 1v95 n ARG 122 Cb 0.48 -4.77 -0.10 0.00 0.45 0.00 0.00 32.46 28.51 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 -0.70 0.44 -0.15 -0.14 -0.44 -1.26 -5.16 119.66 112.26 1v95 s GLN 123 Ca -0.21 0.08 -0.10 0.00 -2.50 0.00 0.00 55.36 52.63 1v95 s GLN 123 Cb 0.01 0.20 0.05 0.00 -1.64 0.00 0.00 33.01 31.64 1v95 s GLN 123 CO 0.57 -0.09 0.38 0.00 0.50 0.00 0.00 175.29 176.65 1v95 s ALA 124 N -0.53 -0.94 -0.08 1.58 0.00 -1.26 -5.15 121.76 115.37 1v95 s ALA 124 Ca -0.06 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.26 1v95 s ALA 124 Cb -0.04 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 1v95 s ALA 124 CO 0.02 -0.23 -0.19 -1.12 0.00 0.00 0.00 175.76 174.23 1v95 s SER 125 N 1.06 3.53 0.00 0.00 0.01 -1.26 -5.10 113.70 111.95 1v95 s SER 125 Ca -0.07 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1v95 s SER 125 Cb -0.07 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 65.00 1v95 s SER 125 CO -0.09 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1v95 n GLY 126 N 3.09 4.53 3.82 3.44 0.00 -1.26 -5.14 105.19 113.67 1v95 n GLY 126 Ca -0.18 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 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 4.53 3.12 -0.06 1.61 0.04 -1.26 -5.08 135.00 137.90 1v95 s PRO 127 Ca 0.00 1.03 -0.04 0.00 0.04 0.00 0.00 61.00 62.04 1v95 s PRO 127 Cb 0.00 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1v95 s PRO 127 CO 0.00 -0.96 0.14 0.45 0.04 0.00 0.00 177.00 176.67 1v95 s SER 128 N -3.44 -0.12 -0.09 6.66 0.15 -1.26 -5.01 113.70 110.59 1v95 s SER 128 Ca 0.60 0.28 -0.03 0.00 0.70 0.00 0.00 55.95 57.50 1v95 s SER 128 Cb -0.14 0.22 0.01 0.00 -1.71 0.00 0.00 66.02 64.40 1v95 s SER 128 CO 0.48 -0.10 0.06 -0.24 1.20 0.00 0.00 173.24 174.64 1v95 n SER 129 N 3.66 -5.70 -0.60 5.45 2.88 -1.26 -5.36 113.62 112.69 1v95 n SER 129 Ca -0.20 0.99 0.08 0.00 -1.33 0.00 0.00 58.87 58.41 1v95 n SER 129 Cb 0.55 -2.99 0.06 0.00 -0.75 0.00 0.00 64.21 61.08 1v95 n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42