#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v95 h SER 2 N 0.00 -1.04 -1.66 1.61 0.87 -1.93 -3.42 113.55 107.98 1v95 h SER 2 Ca 0.00 0.06 -0.70 0.00 -1.23 0.00 0.00 61.79 59.92 1v95 h SER 2 Cb 0.00 0.30 0.03 0.00 -0.44 0.00 0.00 62.40 62.29 1v95 h SER 2 CO 0.00 -0.62 0.76 -1.54 -0.53 0.00 0.00 176.83 174.90 1v95 n SER 3 N -4.98 2.26 -0.07 6.23 3.41 -1.26 -4.88 113.62 114.32 1v95 n SER 3 Ca -0.12 1.08 -0.08 0.00 -0.26 0.00 0.00 58.87 59.49 1v95 n SER 3 Cb 0.41 -1.19 -0.04 0.00 -0.26 0.00 0.00 64.21 63.13 1v95 n SER 3 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1v95 h GLY 4 N 6.44 0.00 0.25 5.00 0.00 -1.91 -3.40 103.07 109.46 1v95 h GLY 4 Ca -0.47 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.89 1v95 h GLY 4 CO 0.90 0.00 -0.38 0.23 0.00 0.00 0.00 176.54 177.28 1v95 h SER 5 N -1.00 -1.14 -3.42 0.19 0.87 -1.98 -3.42 113.55 103.65 1v95 h SER 5 Ca -0.07 0.14 -0.48 0.00 -1.23 0.00 0.00 61.79 60.15 1v95 h SER 5 Cb 0.58 0.44 0.21 0.00 -0.44 0.00 0.00 62.40 63.20 1v95 h SER 5 CO -0.04 -0.44 -0.17 -1.20 -0.53 0.00 0.00 176.83 174.44 1v95 n SER 6 N -5.44 -1.26 -3.24 6.23 7.64 -1.26 -5.02 113.62 111.26 1v95 n SER 6 Ca -0.06 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1v95 n SER 6 Cb 0.36 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1v95 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v95 n GLY 7 N 1.01 -1.66 3.78 0.23 0.00 -1.26 -4.94 105.19 102.34 1v95 n GLY 7 Ca 0.06 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.26 0.97 -0.31 1.61 0.04 -1.26 -4.41 135.00 131.37 1v95 s PRO 8 Ca 0.00 0.23 -0.03 0.00 0.04 0.00 0.00 61.00 61.24 1v95 s PRO 8 Cb 0.00 -1.82 0.05 0.00 0.04 0.00 0.00 34.50 32.76 1v95 s PRO 8 CO 0.00 -2.30 0.03 0.08 0.04 0.00 0.00 177.00 174.85 1v95 s VAL 9 N -3.30 3.18 0.33 -0.36 1.01 -1.26 -4.83 120.40 115.17 1v95 s VAL 9 Ca 0.65 -1.34 0.08 0.00 0.00 0.00 0.00 61.98 61.37 1v95 s VAL 9 Cb -0.14 -2.83 0.39 0.00 0.00 0.00 0.00 36.38 33.80 1v95 s VAL 9 CO 0.53 -0.14 1.58 0.44 0.00 0.00 0.00 175.10 177.52 1v95 h ASP 10 N 8.05 -0.17 -2.01 3.32 5.19 -1.48 -3.31 116.42 126.00 1v95 h ASP 10 Ca -0.21 0.27 -0.25 0.00 -0.62 0.00 0.00 57.03 56.21 1v95 h ASP 10 Cb 1.07 0.40 -0.31 0.00 0.18 0.00 0.00 39.33 40.66 1v95 h ASP 10 CO 0.55 -0.37 -0.57 0.00 -3.12 0.00 0.00 179.24 175.73 1v95 s SER 12 N 2.45 6.96 -0.25 0.00 0.01 -0.73 -3.44 113.70 118.71 1v95 s SER 12 Ca 0.10 1.15 -0.16 0.00 1.31 0.00 0.00 55.95 58.35 1v95 s SER 12 Cb -0.14 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 1v95 s SER 12 CO -0.26 0.15 0.42 -0.69 0.41 0.00 0.00 173.24 173.27 1v95 s VAL 13 N -0.41 5.15 -0.33 3.43 1.01 0.14 0.19 120.40 129.57 1v95 s VAL 13 Ca 0.30 0.69 -0.12 0.00 0.00 0.00 0.00 61.98 62.84 1v95 s VAL 13 Cb -0.18 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1v95 s VAL 13 CO 0.17 0.16 0.22 -0.63 0.00 0.00 0.00 175.10 175.02 1v95 s ILE 14 N 1.97 5.21 -0.34 2.22 -1.09 0.43 -0.48 121.20 129.12 1v95 s ILE 14 Ca 0.18 -0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.42 1v95 s ILE 14 Cb -0.15 -3.65 0.11 0.00 -1.58 0.00 0.00 42.46 37.19 1v95 s ILE 14 CO 0.09 0.04 0.12 0.54 -1.23 0.00 0.00 174.94 174.50 1v95 s VAL 15 N 1.72 1.21 -1.44 2.92 0.11 -0.54 0.19 120.40 124.57 1v95 s VAL 15 Ca 0.06 -1.79 -0.11 0.00 -2.93 0.00 0.00 61.98 57.21 1v95 s VAL 15 Cb -0.17 -1.90 -0.05 0.00 -1.53 0.00 0.00 36.38 32.73 1v95 s VAL 15 CO 0.10 -0.71 2.58 1.33 -3.33 0.00 0.00 175.10 175.07 1v95 n VAL 16 N 4.49 3.68 0.00 2.04 0.24 -1.24 -2.30 118.33 125.24 1v95 n VAL 16 Ca 0.01 -2.52 0.00 0.00 -2.04 0.00 0.00 64.34 59.79 1v95 n VAL 16 Cb 0.40 -2.54 0.00 0.00 -1.47 0.00 0.00 33.84 30.23 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 4.67 0.00 -0.03 -1.34 4.13 -0.99 -4.82 115.26 116.88 1v95 n ASN 17 Ca 0.65 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.87 1v95 n ASN 17 Cb 0.28 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.48 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 -0.57 1.19 -0.33 3.52 4.76 -1.26 -4.41 118.16 121.06 1v95 n LYS 18 Ca 0.00 0.02 0.17 0.00 -2.87 0.00 0.00 58.31 55.64 1v95 n LYS 18 Cb 0.00 -1.14 0.34 0.00 -1.84 0.00 0.00 35.03 32.40 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 0.05 -2.49 1.97 -0.00 -1.98 0.14 115.11 112.80 1v95 h GLN 19 Ca -0.15 -0.00 -0.77 0.00 -0.00 0.00 0.00 58.65 57.73 1v95 h GLN 19 Cb 1.27 -0.01 -0.18 0.00 0.00 0.00 0.00 27.48 28.56 1v95 h GLN 19 CO -0.01 0.03 1.89 0.25 0.00 0.00 0.00 178.83 180.99 1v95 n THR 20 N -5.39 5.58 0.02 2.39 -2.24 -1.26 -4.50 114.28 108.87 1v95 n THR 20 Ca 0.25 -4.96 -0.20 0.00 -2.27 0.00 0.00 64.05 56.88 1v95 n THR 20 Cb 0.84 -1.88 -0.14 0.00 -2.10 0.00 0.00 70.33 67.05 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 4.46 0.26 0.01 -0.78 3.64 -1.01 -3.23 116.57 119.91 1v95 h LYS 21 Ca 0.64 -0.44 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1v95 h LYS 21 Cb 0.31 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1v95 h LYS 21 CO 1.37 1.15 -0.00 -0.44 -2.27 0.00 0.00 179.45 179.26 1v95 h ASP 22 N 0.07 -0.01 -0.92 4.20 3.32 -1.83 -1.84 116.42 119.42 1v95 h ASP 22 Ca -0.39 -0.22 0.26 0.00 0.02 0.00 0.00 57.03 56.71 1v95 h ASP 22 Cb 2.04 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 41.45 1v95 h ASP 22 CO 0.11 0.60 0.31 0.22 -1.72 0.00 0.00 179.24 178.76 1v95 h TYR 23 N -1.00 0.48 -0.07 4.55 5.03 -1.88 1.00 116.97 125.09 1v95 h TYR 23 Ca -0.00 0.05 -0.19 0.00 2.58 0.00 0.00 58.73 61.17 1v95 h TYR 23 Cb 0.22 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.44 1v95 h TYR 23 CO 0.06 -0.22 -0.76 0.00 -1.32 0.00 0.00 178.16 175.92 1v95 h ALA 24 N 1.82 0.57 0.00 1.82 0.00 -1.67 -2.74 119.26 119.05 1v95 h ALA 24 Ca 0.61 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1v95 h ALA 24 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1v95 h ALA 24 CO -0.66 0.77 0.01 0.93 0.00 0.00 0.00 179.25 180.30 1v95 h GLU 25 N 0.26 0.00 0.00 0.00 5.08 0.19 -1.86 114.58 118.25 1v95 h GLU 25 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1v95 h GLU 25 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1v95 h GLU 25 CO 0.13 0.00 -0.05 1.03 -1.00 0.00 0.00 179.01 179.12 1v95 h SER 26 N 0.00 0.00 -1.74 1.42 0.87 -0.93 -2.86 113.55 110.31 1v95 h SER 26 Ca 0.00 0.00 0.53 0.00 -1.23 0.00 0.00 61.79 61.09 1v95 h SER 26 Cb 0.02 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.88 1v95 h SER 26 CO 0.00 0.07 1.21 0.55 -0.53 0.00 0.00 176.83 178.13 1v95 n VAL 27 N -2.47 -0.09 -0.03 2.23 3.14 -1.15 0.20 118.33 120.15 1v95 n VAL 27 Ca -0.01 1.58 -0.15 0.00 -2.96 0.00 0.00 64.34 62.80 1v95 n VAL 27 Cb 0.02 -2.62 -0.12 0.00 -1.06 0.00 0.00 33.84 30.06 1v95 n VAL 27 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1v95 h GLY 28 N 0.00 0.17 2.00 7.55 0.00 -1.50 -3.13 103.07 108.15 1v95 h GLY 28 Ca 0.91 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.90 1v95 h GLY 28 CO -0.18 0.28 -0.07 0.07 0.00 0.00 0.00 176.54 176.65 1v95 h ARG 29 N -0.58 0.00 -0.28 4.80 0.11 0.24 -2.13 114.38 116.54 1v95 h ARG 29 Ca -0.04 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.91 1v95 h ARG 29 Cb 1.06 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.13 1v95 h ARG 29 CO 0.05 0.07 -0.38 0.87 0.10 0.00 0.00 179.97 180.68 1v95 h LYS 30 N 0.00 0.64 0.00 0.08 1.79 0.93 -1.08 116.57 118.93 1v95 h LYS 30 Ca -0.00 -0.32 -0.10 0.00 -2.18 0.00 0.00 60.65 58.04 1v95 h LYS 30 Cb 0.44 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1v95 h LYS 30 CO 0.01 0.92 -0.50 0.28 -1.08 0.00 0.00 179.45 179.08 1v95 h VAL 31 N 0.53 1.05 -0.02 0.50 2.07 -1.34 -2.98 116.25 116.07 1v95 h VAL 31 Ca 0.05 -1.94 -0.17 0.00 0.82 0.00 0.00 66.70 65.46 1v95 h VAL 31 Cb 0.90 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1v95 h VAL 31 CO 0.08 0.49 -0.77 0.03 0.02 0.00 0.00 177.57 177.42 1v95 h ARG 32 N 0.00 0.15 0.00 1.57 3.08 -1.09 -2.69 114.38 115.41 1v95 h ARG 32 Ca -0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1v95 h ARG 32 Cb 1.11 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1v95 h ARG 32 CO 0.06 0.85 0.00 0.22 -1.07 0.00 0.00 179.97 180.03 1v95 h ASP 33 N 0.09 0.00 0.42 7.04 3.58 -1.04 0.65 116.42 127.16 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 1.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.40 1v95 h ASP 33 CO 0.11 0.00 -0.59 0.18 -2.88 0.00 0.00 179.24 176.07 1v95 n LEU 34 N -2.59 0.58 0.00 2.28 4.77 -1.05 -4.93 117.00 116.06 1v95 n LEU 34 Ca -0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1v95 n LEU 34 Cb 0.08 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1v95 n LEU 34 CO 0.15 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1v95 n GLY 35 N 1.50 1.31 3.50 -0.72 0.00 0.23 -5.09 105.19 105.92 1v95 n GLY 35 Ca 0.05 -0.26 -0.33 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 -1.38 3.14 0.09 1.61 1.00 -1.04 -5.02 119.30 117.71 1v95 s MET 36 Ca 0.00 -0.59 -0.31 0.00 0.00 0.00 0.00 55.69 54.79 1v95 s MET 36 Cb 0.00 -2.67 -0.08 0.00 0.00 0.00 0.00 34.83 32.08 1v95 s MET 36 CO 0.00 0.44 1.57 0.08 0.00 0.00 0.00 175.02 177.11 1v95 s VAL 37 N -0.20 3.02 0.04 -6.03 1.01 -1.26 -3.52 120.40 113.46 1v95 s VAL 37 Ca 0.02 0.59 0.02 0.00 0.00 0.00 0.00 61.98 62.61 1v95 s VAL 37 Cb -0.13 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1v95 s VAL 37 CO 0.03 0.02 -0.07 -0.69 0.00 0.00 0.00 175.10 174.38 1v95 s VAL 38 N 2.02 0.50 0.17 2.92 1.01 -1.26 -0.61 120.40 125.16 1v95 s VAL 38 Ca 0.71 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1v95 s VAL 38 Cb -0.40 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1v95 s VAL 38 CO 0.31 -0.41 0.10 -0.62 0.00 0.00 0.00 175.10 174.48 1v95 s ASP 39 N -1.62 0.22 -0.16 3.32 2.15 -1.22 -4.99 116.67 114.37 1v95 s ASP 39 Ca -0.10 -1.30 0.01 0.00 0.43 0.00 0.00 52.55 51.59 1v95 s ASP 39 Cb -0.09 0.35 0.00 0.00 -0.30 0.00 0.00 42.92 42.88 1v95 s ASP 39 CO 0.00 -0.79 -0.17 -0.76 -0.17 0.00 0.00 175.17 173.27 1v95 s LEU 40 N -3.11 2.34 -0.37 -1.34 1.02 -1.26 0.24 118.68 116.20 1v95 s LEU 40 Ca 0.32 -0.53 -0.06 0.00 0.02 0.00 0.00 54.13 53.88 1v95 s LEU 40 Cb 0.07 -1.52 0.06 0.00 0.02 0.00 0.00 46.19 44.82 1v95 s LEU 40 CO 0.07 0.07 0.15 -0.63 0.02 0.00 0.00 176.35 176.03 1v95 s ILE 41 N 0.91 3.78 -0.18 -0.59 1.01 0.37 -4.97 121.20 121.53 1v95 s ILE 41 Ca -0.04 -1.34 -0.17 0.00 0.00 0.00 0.00 60.65 59.10 1v95 s ILE 41 Cb -0.15 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1v95 s ILE 41 CO -0.02 -0.33 0.44 -0.36 0.00 0.00 0.00 174.94 174.67 1v95 s PHE 42 N 1.36 3.42 -0.30 3.97 0.08 -1.26 -1.46 117.98 123.79 1v95 s PHE 42 Ca 0.01 0.73 0.01 0.00 0.12 0.00 0.00 56.93 57.80 1v95 s PHE 42 Cb -0.21 -2.56 0.09 0.00 -0.57 0.00 0.00 43.02 39.77 1v95 s PHE 42 CO 0.01 0.03 0.04 -0.51 -0.10 0.00 0.00 175.22 174.70 1v95 s LEU 43 N 1.16 3.16 -0.35 -0.37 1.43 -0.97 -4.95 118.68 117.79 1v95 s LEU 43 Ca 0.22 -1.68 -0.00 0.00 -1.03 0.00 0.00 54.13 51.63 1v95 s LEU 43 Cb -0.15 -1.20 0.13 0.00 0.03 0.00 0.00 46.19 45.00 1v95 s LEU 43 CO 0.09 -0.36 0.19 0.21 0.23 0.00 0.00 176.35 176.71 1v95 s ASN 44 N 1.32 3.36 -0.47 2.29 3.84 -1.26 -2.33 114.94 121.69 1v95 s ASN 44 Ca 0.06 -2.03 -0.01 0.00 0.21 0.00 0.00 52.86 51.10 1v95 s ASN 44 Cb -0.18 -0.58 0.00 0.00 -0.55 0.00 0.00 41.25 39.94 1v95 s ASN 44 CO -0.14 -0.34 0.45 0.41 -2.79 0.00 0.00 177.10 174.69 1v95 n THR 45 N 4.28 -7.04 0.01 -5.21 -1.04 -1.26 -4.96 114.28 99.07 1v95 n THR 45 Ca 0.06 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1v95 n THR 45 Cb 0.38 -5.77 0.00 0.00 -1.82 0.00 0.00 70.33 63.12 1v95 n THR 45 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1v95 n GLU 46 N -1.44 0.00 -3.61 -2.82 2.13 -1.26 -5.17 120.64 108.47 1v95 n GLU 46 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.67 1v95 n GLU 46 Cb 0.49 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.15 1v95 n GLU 46 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1v95 n VAL 47 N -2.38 0.00 -3.48 6.31 0.24 -1.26 -5.17 118.33 112.59 1v95 n VAL 47 Ca 0.00 -1.67 -0.20 0.00 -2.04 0.00 0.00 64.34 60.43 1v95 n VAL 47 Cb 0.00 0.70 -0.02 0.00 -1.47 0.00 0.00 33.84 33.05 1v95 n VAL 47 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1v95 s SER 48 N -2.68 5.16 0.10 -1.34 0.01 -1.26 -4.83 113.70 108.86 1v95 s SER 48 Ca 0.20 -0.68 -0.34 0.00 1.31 0.00 0.00 55.95 56.44 1v95 s SER 48 Cb 0.01 -0.60 -0.14 0.00 0.21 0.00 0.00 66.02 65.50 1v95 s SER 48 CO 0.14 -0.66 1.57 0.25 0.41 0.00 0.00 173.24 174.95 1v95 h LEU 49 N 0.97 -1.40 -0.70 2.44 6.46 -2.00 -2.10 115.31 118.97 1v95 h LEU 49 Ca -0.41 0.14 0.13 0.00 -0.12 0.00 0.00 57.88 57.61 1v95 h LEU 49 Cb 1.27 0.50 -0.13 0.00 -0.73 0.00 0.00 40.66 41.57 1v95 h LEU 49 CO 0.55 -0.57 -0.30 0.28 -0.62 0.00 0.00 178.44 177.78 1v95 h SER 50 N -0.81 -1.07 -1.45 1.25 0.02 -1.98 1.02 113.55 110.54 1v95 h SER 50 Ca -0.02 0.24 0.45 0.00 -0.84 0.00 0.00 61.79 61.62 1v95 h SER 50 Cb 0.77 0.57 -0.11 0.00 0.14 0.00 0.00 62.40 63.78 1v95 h SER 50 CO -0.20 -0.29 0.98 1.56 -1.14 0.00 0.00 176.83 177.75 1v95 h GLN 51 N -0.09 0.07 0.18 3.45 7.50 -1.78 1.45 115.11 125.90 1v95 h GLN 51 Ca 0.29 -0.00 -0.28 0.00 0.50 0.00 0.00 58.65 59.15 1v95 h GLN 51 Cb 0.56 -0.02 0.02 0.00 0.05 0.00 0.00 27.48 28.10 1v95 h GLN 51 CO -0.76 0.05 -1.32 0.00 -1.50 0.00 0.00 178.83 175.30 1v95 h ALA 52 N 1.44 -0.02 0.18 3.87 0.00 0.12 -3.27 119.26 121.58 1v95 h ALA 52 Ca 0.81 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1v95 h ALA 52 Cb 2.78 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 20.82 1v95 h ALA 52 CO -0.27 0.68 -0.16 -0.07 0.00 0.00 0.00 179.25 179.43 1v95 h LEU 53 N -0.10 -0.42 -1.95 0.00 3.38 0.34 0.35 115.31 116.92 1v95 h LEU 53 Ca -0.25 0.04 0.29 0.00 0.09 0.00 0.00 57.88 58.05 1v95 h LEU 53 Cb 1.92 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.78 1v95 h LEU 53 CO 0.18 -0.25 0.77 -0.08 0.09 0.00 0.00 178.44 179.16 1v95 h GLU 54 N -0.36 0.00 0.10 1.13 4.81 0.28 0.94 114.58 121.49 1v95 h GLU 54 Ca -0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.92 1v95 h GLU 54 Cb 0.33 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1v95 h GLU 54 CO -0.03 0.00 -1.56 0.22 -0.73 0.00 0.00 179.01 176.91 1v95 h ASP 55 N 0.00 0.34 -0.38 1.04 1.82 -1.17 -2.99 116.42 115.08 1v95 h ASP 55 Ca 0.48 -0.50 0.03 0.00 -0.39 0.00 0.00 57.03 56.66 1v95 h ASP 55 Cb 2.03 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 41.89 1v95 h ASP 55 CO -0.01 1.42 0.18 0.58 -1.61 0.00 0.00 179.24 179.80 1v95 h VAL 56 N 0.06 0.96 0.48 2.25 2.07 0.48 1.19 116.25 123.74 1v95 h VAL 56 Ca -0.25 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1v95 h VAL 56 Cb 2.01 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1v95 h VAL 56 CO 0.15 0.07 -0.23 -1.28 0.02 0.00 0.00 177.57 176.29 1v95 h SER 57 N 0.37 -0.55 -0.99 0.57 0.87 -1.10 0.89 113.55 113.61 1v95 h SER 57 Ca 0.16 0.02 0.21 0.00 -1.23 0.00 0.00 61.79 60.95 1v95 h SER 57 Cb 0.08 0.14 -0.09 0.00 -0.44 0.00 0.00 62.40 62.09 1v95 h SER 57 CO -0.12 -0.33 0.62 0.08 -0.53 0.00 0.00 176.83 176.54 1v95 h ARG 58 N -0.77 0.59 -0.14 2.24 0.11 -1.46 0.57 114.38 115.51 1v95 h ARG 58 Ca -0.07 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 59.95 1v95 h ARG 58 Cb 0.50 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 1v95 h ARG 58 CO 0.11 0.39 -0.03 0.78 0.10 0.00 0.00 179.97 181.32 1v95 h GLY 59 N 0.61 0.22 0.00 0.08 0.00 0.16 -3.46 103.07 100.67 1v95 h GLY 59 Ca 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1v95 h GLY 59 CO -0.32 0.10 0.00 0.61 0.00 0.00 0.00 176.54 176.94 1v95 n GLY 60 N -1.16 1.88 3.45 4.60 0.00 0.20 -4.26 105.19 109.89 1v95 n GLY 60 Ca -0.01 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.38 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 1.02 -0.02 1.61 7.64 0.21 -4.82 113.62 119.25 1v95 n SER 61 Ca 0.00 0.98 -0.16 0.00 1.01 0.00 0.00 58.87 60.71 1v95 n SER 61 Cb 0.00 -0.85 -0.11 0.00 -1.01 0.00 0.00 64.21 62.24 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 6.05 0.26 -6.70 1.43 0.13 -1.66 -3.40 132.00 128.11 1v95 h PRO 62 Ca -0.32 -0.25 -0.67 0.00 -0.87 0.00 0.00 66.00 63.89 1v95 h PRO 62 Cb 1.33 0.07 -0.18 0.00 0.13 0.00 0.00 31.00 32.34 1v95 h PRO 62 CO 0.98 0.94 -0.80 -0.06 -0.23 0.00 0.00 178.00 178.83 1v95 s PHE 63 N -3.31 2.54 -0.05 1.56 0.08 -0.86 0.23 117.98 118.17 1v95 s PHE 63 Ca -0.15 -0.26 -0.02 0.00 0.12 0.00 0.00 56.93 56.62 1v95 s PHE 63 Cb 0.02 -1.33 0.04 0.00 -0.57 0.00 0.00 43.02 41.17 1v95 s PHE 63 CO 0.76 0.40 0.10 0.00 -0.10 0.00 0.00 175.22 176.38 1v95 s ALA 64 N -1.20 -0.08 -0.08 5.36 0.00 0.10 -1.77 121.76 124.09 1v95 s ALA 64 Ca 0.18 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.51 1v95 s ALA 64 Cb -0.10 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 1v95 s ALA 64 CO 0.10 -0.21 0.28 0.42 0.00 0.00 0.00 175.76 176.36 1v95 s ILE 65 N 1.33 5.27 -0.19 0.00 1.01 0.13 -0.56 121.20 128.18 1v95 s ILE 65 Ca -0.07 0.53 -0.08 0.00 0.00 0.00 0.00 60.65 61.04 1v95 s ILE 65 Cb -0.12 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1v95 s ILE 65 CO -0.05 0.55 0.08 0.54 0.00 0.00 0.00 174.94 176.06 1v95 s VAL 66 N -0.67 4.93 0.19 2.92 0.11 -0.35 0.16 120.40 127.69 1v95 s VAL 66 Ca 0.19 0.02 0.08 0.00 -2.93 0.00 0.00 61.98 59.33 1v95 s VAL 66 Cb -0.14 -3.24 -0.04 0.00 -1.53 0.00 0.00 36.38 31.43 1v95 s VAL 66 CO 0.07 0.44 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.50 1v95 s ILE 67 N 0.49 1.71 0.00 7.04 -1.09 0.51 -3.13 121.20 126.73 1v95 s ILE 67 Ca 0.04 -2.09 0.00 0.00 -2.23 0.00 0.00 60.65 56.37 1v95 s ILE 67 Cb -0.12 -1.95 0.00 0.00 -1.58 0.00 0.00 42.46 38.81 1v95 s ILE 67 CO 0.00 -0.52 0.00 1.07 -1.23 0.00 0.00 174.94 174.27 1v95 n THR 68 N -0.13 0.00 -0.04 2.92 5.66 -1.26 -3.69 114.28 117.74 1v95 n THR 68 Ca -0.10 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.88 1v95 n THR 68 Cb 0.59 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.37 1v95 n THR 68 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 1v95 h GLN 69 N 0.00 0.00 -0.02 1.09 4.20 -2.00 -3.33 115.11 115.05 1v95 h GLN 69 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1v95 h GLN 69 Cb 0.00 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 1v95 h GLN 69 CO 0.00 0.00 -0.39 0.37 -0.67 0.00 0.00 178.83 178.14 1v95 h GLN 70 N -0.60 -0.51 -1.62 1.46 5.75 -1.97 0.17 115.11 117.78 1v95 h GLN 70 Ca 0.00 0.03 0.50 0.00 -0.15 0.00 0.00 58.65 59.03 1v95 h GLN 70 Cb 0.19 0.12 -0.10 0.00 1.07 0.00 0.00 27.48 28.76 1v95 h GLN 70 CO 0.00 -0.34 1.12 0.45 -2.65 0.00 0.00 178.83 177.41 1v95 h HIS 71 N -0.53 0.24 0.06 3.99 3.86 -1.78 1.27 115.15 122.27 1v95 h HIS 71 Ca 0.06 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1v95 h HIS 71 Cb 0.62 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1v95 h HIS 71 CO -0.41 -0.11 -0.03 0.37 0.86 0.00 0.00 177.93 178.61 1v95 h GLN 72 N 0.03 -0.08 0.55 2.45 4.15 -0.77 1.06 115.11 122.50 1v95 h GLN 72 Ca 0.87 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 60.27 1v95 h GLN 72 Cb 3.15 0.02 0.01 0.00 0.21 0.00 0.00 27.48 30.87 1v95 h GLN 72 CO -0.21 0.15 -0.26 0.82 -1.93 0.00 0.00 178.83 177.40 1v95 h ILE 73 N -0.31 0.00 0.00 2.39 2.04 0.17 -2.40 117.51 119.41 1v95 h ILE 73 Ca -0.01 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1v95 h ILE 73 Cb 0.27 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1v95 h ILE 73 CO 0.01 0.00 0.08 0.45 0.00 0.00 0.00 178.15 178.69 1v95 h HIS 74 N -0.81 0.00 -5.06 1.37 3.86 -1.19 -3.45 115.15 109.88 1v95 h HIS 74 Ca -0.08 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.75 1v95 h HIS 74 Cb 0.56 0.00 0.10 0.00 1.06 0.00 0.00 27.41 29.14 1v95 h HIS 74 CO 0.08 0.00 -0.62 0.54 0.86 0.00 0.00 177.93 178.79 1v95 n ARG 75 N -2.92 -6.40 -4.36 2.45 5.12 0.34 -5.00 116.66 105.89 1v95 n ARG 75 Ca -0.03 0.83 -0.19 0.00 -1.93 0.00 0.00 57.85 56.53 1v95 n ARG 75 Cb 0.14 -5.71 -0.14 0.00 -1.16 0.00 0.00 32.46 25.59 1v95 n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1v95 s SER 76 N -3.05 1.39 0.41 0.55 1.04 0.29 -4.08 113.70 110.25 1v95 s SER 76 Ca 0.45 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.57 1v95 s SER 76 Cb -0.20 -0.10 -0.06 0.00 0.10 0.00 0.00 66.02 65.76 1v95 s SER 76 CO 0.55 0.05 0.03 0.00 0.98 0.00 0.00 173.24 174.85 1v95 s THR 78 N -2.93 3.24 -0.33 0.00 2.01 -1.18 -2.29 115.64 114.16 1v95 s THR 78 Ca 0.29 -0.88 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 1v95 s THR 78 Cb 0.08 -2.64 -0.00 0.00 0.01 0.00 0.00 72.50 69.94 1v95 s THR 78 CO 0.14 0.19 0.65 -0.69 -0.69 0.00 0.00 174.62 174.22 1v95 s VAL 79 N 1.39 4.90 -0.18 3.82 1.01 -1.21 -1.21 120.40 128.92 1v95 s VAL 79 Ca 0.01 0.76 -0.03 0.00 0.00 0.00 0.00 61.98 62.73 1v95 s VAL 79 Cb -0.17 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1v95 s VAL 79 CO -0.02 -0.23 -0.07 0.20 0.00 0.00 0.00 175.10 174.97 1v95 s ASN 80 N 1.71 4.32 0.19 3.32 0.01 0.27 -2.29 114.94 122.47 1v95 s ASN 80 Ca 0.26 -0.31 -0.14 0.00 -0.71 0.00 0.00 52.86 51.95 1v95 s ASN 80 Cb -0.15 -1.71 -0.07 0.00 0.41 0.00 0.00 41.25 39.73 1v95 s ASN 80 CO 0.13 0.08 0.59 -0.63 -1.51 0.00 0.00 177.10 175.76 1v95 s ILE 81 N 0.87 4.82 -0.03 0.60 1.01 -0.77 -0.72 121.20 126.98 1v95 s ILE 81 Ca -0.02 0.83 0.02 0.00 0.00 0.00 0.00 60.65 61.48 1v95 s ILE 81 Cb -0.15 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 1v95 s ILE 81 CO 0.01 0.14 0.01 0.23 0.00 0.00 0.00 174.94 175.33 1v95 n MET 82 N 0.51 3.29 -0.76 2.79 2.81 0.62 -4.56 117.12 121.82 1v95 n MET 82 Ca -0.03 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.58 1v95 n MET 82 Cb 0.52 -1.07 0.25 0.00 -0.71 0.00 0.00 33.22 32.21 1v95 n MET 82 CO 0.00 0.00 0.00 1.97 1.51 0.00 0.00 175.97 179.45 1v95 n PHE 83 N -2.14 -3.80 -0.95 2.03 1.16 -1.24 -4.93 117.46 107.60 1v95 n PHE 83 Ca -0.04 -0.88 -0.34 0.00 -1.87 0.00 0.00 57.45 54.32 1v95 n PHE 83 Cb 0.58 -1.09 0.03 0.00 -1.61 0.00 0.00 39.48 37.39 1v95 n PHE 83 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1v95 n GLY 84 N -4.60 -4.22 2.26 4.97 0.00 -1.26 -4.49 105.19 97.84 1v95 n GLY 84 Ca 0.14 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.24-12.14 -2.38 2.61 -1.04 -1.26 -4.81 114.28 93.02 1v95 n THR 85 Ca -0.01 2.92 -0.43 0.00 -2.04 0.00 0.00 64.05 64.49 1v95 n THR 85 Cb 0.51 -5.48 -0.02 0.00 -1.82 0.00 0.00 70.33 63.52 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 -0.52 3.84 -0.08 -2.82 0.04 -1.26 -4.85 135.00 129.35 1v95 s PRO 86 Ca 0.00 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.30 1v95 s PRO 86 Cb 0.00 -3.92 0.02 0.00 0.04 0.00 0.00 34.50 30.63 1v95 s PRO 86 CO 0.00 -1.21 -0.12 -0.65 0.04 0.00 0.00 177.00 175.06 1v95 s GLN 87 N 4.35 1.77 -0.15 4.56 -1.52 -1.26 -5.08 119.66 122.34 1v95 s GLN 87 Ca 0.59 -0.41 -0.02 0.00 -1.95 0.00 0.00 55.36 53.57 1v95 s GLN 87 Cb -0.17 -1.54 0.04 0.00 -0.22 0.00 0.00 33.01 31.12 1v95 s GLN 87 CO 0.25 -0.05 -0.01 -2.00 -0.25 0.00 0.00 175.29 173.23 1v95 s GLU 88 N 0.95 0.92 -0.20 2.91 2.12 -1.26 -1.84 118.70 122.29 1v95 s GLU 88 Ca -0.09 -0.29 -0.06 0.00 0.36 0.00 0.00 54.97 54.89 1v95 s GLU 88 Cb -0.15 -1.73 -0.03 0.00 0.26 0.00 0.00 34.13 32.48 1v95 s GLU 88 CO 0.00 -0.46 0.04 -1.01 -0.54 0.00 0.00 175.26 173.29 1v95 s HIS 89 N 1.81 3.12 -0.20 5.30 3.76 -0.97 -5.07 115.29 123.05 1v95 s HIS 89 Ca 0.02 -0.24 -0.05 0.00 -0.15 0.00 0.00 55.06 54.64 1v95 s HIS 89 Cb -0.15 -2.12 -0.02 0.00 1.11 0.00 0.00 32.58 31.40 1v95 s HIS 89 CO -0.07 -0.12 -0.00 1.03 -0.85 0.00 0.00 174.74 174.73 1v95 s ARG 90 N 0.91 3.61 -0.22 1.40 0.52 -1.26 -3.29 118.95 120.61 1v95 s ARG 90 Ca 0.03 -0.53 -0.10 0.00 -0.52 0.00 0.00 55.73 54.62 1v95 s ARG 90 Cb -0.14 -3.07 0.04 0.00 0.52 0.00 0.00 34.95 32.30 1v95 s ARG 90 CO 0.02 0.01 0.19 -1.71 0.02 0.00 0.00 175.30 173.84 1v95 n ASN 91 N 4.24 -2.27 -3.97 0.23 5.15 -1.26 -5.05 115.26 112.33 1v95 n ASN 91 Ca -0.17 1.38 -0.16 0.00 -0.60 0.00 0.00 54.58 55.03 1v95 n ASN 91 Cb 0.52 -5.32 -0.14 0.00 -0.53 0.00 0.00 39.78 34.30 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 -0.92 0.46 0.19 1.20 -1.94 -0.97 -4.99 119.30 112.33 1v95 s MET 92 Ca -0.22 -0.23 -0.30 0.00 -1.71 0.00 0.00 55.69 53.23 1v95 s MET 92 Cb 0.01 -0.43 -0.08 0.00 2.01 0.00 0.00 34.83 36.35 1v95 s MET 92 CO 0.80 0.12 1.11 -1.25 -0.01 0.00 0.00 175.02 175.79 1v95 s PRO 93 N -0.21 4.59 0.06 2.03 0.04 -1.26 -2.68 135.00 137.57 1v95 s PRO 93 Ca 0.01 1.75 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 1v95 s PRO 93 Cb -0.03 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 1v95 s PRO 93 CO -0.00 0.08 1.12 0.94 0.04 0.00 0.00 177.00 179.17 1v95 n GLN 94 N 2.21 -0.17 0.00 4.56 -0.06 -1.26 0.19 117.38 122.85 1v95 n GLN 94 Ca 0.02 1.11 0.00 0.00 -2.00 0.00 0.00 57.00 56.13 1v95 n GLN 94 Cb 0.46 -1.64 0.00 0.00 -4.06 0.00 0.00 30.24 24.99 1v95 n GLN 94 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1v95 n ALA 95 N -3.08 -0.00 -0.32 1.69 0.00 -1.26 0.11 120.51 117.64 1v95 n ALA 95 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.62 1v95 n ALA 95 Cb 0.10 0.46 0.37 0.00 0.00 0.00 0.00 19.45 20.38 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 0.34 -0.89 0.00 1.82 -1.68 1.21 116.42 117.22 1v95 h ASP 96 Ca 0.00 0.18 0.07 0.00 -0.39 0.00 0.00 57.03 56.89 1v95 h ASP 96 Cb 0.00 0.16 -0.06 0.00 0.68 0.00 0.00 39.33 40.11 1v95 h ASP 96 CO 0.00 -0.08 0.56 0.00 -1.61 0.00 0.00 179.24 178.11 1v95 h ALA 97 N 1.78 1.24 0.00 -0.78 0.00 0.81 0.84 119.26 123.15 1v95 h ALA 97 Ca 0.63 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.51 1v95 h ALA 97 Cb 1.31 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1v95 h ALA 97 CO -0.59 0.29 -0.13 0.52 0.00 0.00 0.00 179.25 179.35 1v95 h MET 98 N 1.00 0.00 0.07 0.00 2.86 0.88 0.10 114.93 119.84 1v95 h MET 98 Ca 0.40 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.80 1v95 h MET 98 Cb 0.20 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1v95 h MET 98 CO -0.18 0.13 -1.22 -0.24 1.06 0.00 0.00 176.91 176.45 1v95 h VAL 99 N 0.00 1.08 0.00 -2.22 3.04 0.27 -0.87 116.25 117.55 1v95 h VAL 99 Ca -0.00 -2.33 -0.01 0.00 -1.01 0.00 0.00 66.70 63.35 1v95 h VAL 99 Cb 0.37 2.65 -0.00 0.00 -2.01 0.00 0.00 31.29 32.30 1v95 h VAL 99 CO 0.02 0.59 -0.07 0.25 -1.01 0.00 0.00 177.57 177.35 1v95 h LEU 100 N -0.57 0.00 0.03 3.16 6.46 0.76 1.10 115.31 126.26 1v95 h LEU 100 Ca -0.28 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.31 1v95 h LEU 100 Cb 1.55 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.47 1v95 h LEU 100 CO -0.02 0.07 -0.86 1.62 -0.62 0.00 0.00 178.44 178.62 1v95 h VAL 101 N 0.00 1.26 -0.07 1.05 3.04 -0.90 -2.08 116.25 118.55 1v95 h VAL 101 Ca -0.00 -2.30 -0.03 0.00 -1.01 0.00 0.00 66.70 63.36 1v95 h VAL 101 Cb 0.14 2.77 -0.01 0.00 -2.01 0.00 0.00 31.29 32.18 1v95 h VAL 101 CO 0.01 0.52 -0.08 0.00 -1.01 0.00 0.00 177.57 177.02 1v95 h ALA 102 N -0.20 1.75 0.06 3.17 0.00 -0.76 -0.32 119.26 122.96 1v95 h ALA 102 Ca -0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1v95 h ALA 102 Cb 1.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1v95 h ALA 102 CO -0.06 0.19 -0.03 0.00 0.00 0.00 0.00 179.25 179.36 1v95 h ARG 103 N 0.10 -0.07 -0.71 0.00 2.47 0.11 -3.07 114.38 113.21 1v95 h ARG 103 Ca 0.02 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.83 1v95 h ARG 103 Cb 0.20 0.02 -0.11 0.00 -1.65 0.00 0.00 29.97 28.44 1v95 h ARG 103 CO 0.01 -0.05 -0.54 -0.91 0.56 0.00 0.00 179.97 179.04 1v95 h ASN 104 N -0.32 -1.91 -0.79 7.04 2.35 -1.37 -0.79 115.58 119.80 1v95 h ASN 104 Ca -0.01 0.28 0.07 0.00 -0.55 0.00 0.00 56.30 56.10 1v95 h ASN 104 Cb 0.06 0.83 -0.10 0.00 0.05 0.00 0.00 38.32 39.16 1v95 h ASN 104 CO 0.01 -0.32 -0.47 0.22 -1.65 0.00 0.00 177.43 175.22 1v95 h TYR 105 N -0.19 -1.52 -0.98 1.19 3.20 -1.21 1.28 116.97 118.74 1v95 h TYR 105 Ca 0.14 0.10 0.14 0.00 3.14 0.00 0.00 58.73 62.25 1v95 h TYR 105 Cb 0.52 0.77 -0.15 0.00 1.54 0.00 0.00 36.73 39.40 1v95 h TYR 105 CO -0.86 -0.30 -0.42 0.39 -1.64 0.00 0.00 178.16 175.33 1v95 n GLU 106 N -4.80 -0.27 0.25 1.82 -0.58 -0.34 0.85 120.64 117.56 1v95 n GLU 106 Ca 0.02 1.50 -0.10 0.00 -0.42 0.00 0.00 57.16 58.16 1v95 n GLU 106 Cb 0.21 -2.23 -0.05 0.00 -0.57 0.00 0.00 31.44 28.80 1v95 n GLU 106 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1v95 h ARG 107 N 0.00 -0.65 -1.61 3.49 1.12 -0.26 -2.43 114.38 114.04 1v95 h ARG 107 Ca 0.30 0.04 0.47 0.00 -1.11 0.00 0.00 59.98 59.68 1v95 h ARG 107 Cb 0.55 0.15 -0.06 0.00 -0.01 0.00 0.00 29.97 30.59 1v95 h ARG 107 CO -0.96 -0.43 1.31 -0.92 -3.11 0.00 0.00 179.97 175.86 1v95 h TYR 108 N -0.93 0.00 -0.00 2.20 3.20 0.24 1.63 116.97 123.30 1v95 h TYR 108 Ca -0.07 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 1v95 h TYR 108 Cb 0.51 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.79 1v95 h TYR 108 CO 0.04 0.00 -0.17 0.87 -1.64 0.00 0.00 178.16 177.26 1v95 h LYS 109 N 0.00 0.12 -1.00 1.82 1.57 0.62 -1.96 116.57 117.74 1v95 h LYS 109 Ca 0.76 -0.13 0.29 0.00 -1.87 0.00 0.00 60.65 59.71 1v95 h LYS 109 Cb 3.38 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 35.59 1v95 h LYS 109 CO -0.01 0.87 0.58 -2.95 -0.57 0.00 0.00 179.45 177.37 1v95 h ASN 110 N -0.57 0.57 1.08 0.86 7.08 0.29 1.58 115.58 126.48 1v95 h ASN 110 Ca -0.02 0.17 -0.16 0.00 -3.08 0.00 0.00 56.30 53.21 1v95 h ASN 110 Cb 0.93 0.10 -0.02 0.00 -2.08 0.00 0.00 38.32 37.24 1v95 h ASN 110 CO 0.03 -0.04 -0.75 -0.33 -2.08 0.00 0.00 177.43 174.26 1v95 h GLU 111 N 0.42 0.00 0.37 4.14 4.39 -1.43 -2.96 114.58 119.52 1v95 h GLU 111 Ca 0.70 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.38 1v95 h GLU 111 Cb 1.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 1v95 h GLU 111 CO -0.56 0.75 -0.18 0.00 -1.16 0.00 0.00 179.01 177.86 1v95 h ARG 113 N -0.64 -0.11 -4.29 0.00 2.47 -0.68 -2.86 114.38 108.26 1v95 h ARG 113 Ca -0.05 0.01 -0.76 0.00 -1.26 0.00 0.00 59.98 57.92 1v95 h ARG 113 Cb 0.39 0.02 -0.22 0.00 -1.65 0.00 0.00 29.97 28.51 1v95 h ARG 113 CO 0.08 -0.07 0.95 -2.00 0.56 0.00 0.00 179.97 179.50 1v95 s GLU 114 N -6.03 4.10 0.29 0.04 -6.30 -1.12 -4.68 118.70 104.99 1v95 s GLU 114 Ca -0.14 -2.78 -0.02 0.00 -2.50 0.00 0.00 54.97 49.52 1v95 s GLU 114 Cb 0.18 -4.85 0.01 0.00 0.00 0.00 0.00 34.13 29.47 1v95 s GLU 114 CO 0.71 -1.56 0.42 1.17 0.02 0.00 0.00 175.26 176.02 1v95 n LYS 115 N 4.53 0.60 -1.88 4.30 4.81 -1.08 -4.68 118.16 124.75 1v95 n LYS 115 Ca 0.31 -2.26 -0.39 0.00 -0.87 0.00 0.00 58.31 55.10 1v95 n LYS 115 Cb 0.42 2.21 -0.03 0.00 0.02 0.00 0.00 35.03 37.65 1v95 n LYS 115 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1v95 s GLU 116 N -2.61 2.59 0.01 1.64 2.56 -1.26 -4.26 118.70 117.35 1v95 s GLU 116 Ca 0.23 1.00 -0.01 0.00 0.00 0.00 0.00 54.97 56.19 1v95 s GLU 116 Cb -0.01 -4.42 0.00 0.00 2.00 0.00 0.00 34.13 31.70 1v95 s GLU 116 CO 0.17 -2.75 0.02 0.54 -0.56 0.00 0.00 175.26 172.67 1v95 n ARG 117 N 9.02 -5.23 -0.92 4.30 5.12 -1.26 -4.90 116.66 122.79 1v95 n ARG 117 Ca 0.26 3.79 -0.36 0.00 -1.93 0.00 0.00 57.85 59.61 1v95 n ARG 117 Cb 0.52 -4.80 0.07 0.00 -1.16 0.00 0.00 32.46 27.09 1v95 n ARG 117 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1v95 n GLU 118 N 1.84 -0.27 -1.37 5.56 2.13 -1.26 -4.86 120.64 122.41 1v95 n GLU 118 Ca -0.03 -0.07 -0.28 0.00 0.66 0.00 0.00 57.16 57.44 1v95 n GLU 118 Cb 0.04 -1.24 0.10 0.00 0.27 0.00 0.00 31.44 30.62 1v95 n GLU 118 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1v95 n GLU 119 N 1.18 2.67 -1.44 5.31 -0.58 -1.26 -5.03 120.64 121.49 1v95 n GLU 119 Ca -0.00 -3.37 -0.52 0.00 -0.42 0.00 0.00 57.16 52.85 1v95 n GLU 119 Cb 0.63 -2.22 -0.05 0.00 -0.57 0.00 0.00 31.44 29.23 1v95 n GLU 119 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1v95 n ILE 120 N -0.95 1.23 -3.21 -3.67 2.08 -1.26 -4.92 119.36 108.66 1v95 n ILE 120 Ca 0.56 -0.31 -0.21 0.00 0.56 0.00 0.00 62.75 63.35 1v95 n ILE 120 Cb 0.94 -0.04 -0.07 0.00 -0.75 0.00 0.00 39.64 39.73 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 0.60 1.72 -3.91 -1.39 0.00 -1.26 -5.10 120.51 111.17 1v95 n ALA 121 Ca 0.19 -2.68 -0.28 0.00 0.00 0.00 0.00 53.44 50.67 1v95 n ALA 121 Cb 0.19 -0.93 -0.17 0.00 0.00 0.00 0.00 19.45 18.55 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 0.05 1.78 0.03 0.00 3.00 -1.26 -5.06 118.95 117.50 1v95 s ARG 122 Ca 0.33 -0.36 0.06 0.00 -1.00 0.00 0.00 55.73 54.76 1v95 s ARG 122 Cb 0.06 -1.74 -0.03 0.00 0.00 0.00 0.00 34.95 33.24 1v95 s ARG 122 CO -0.16 -0.24 -0.15 -0.65 0.00 0.00 0.00 175.30 174.10 1v95 s GLN 123 N 1.56 2.19 -0.40 5.12 -1.52 -1.26 -5.09 119.66 120.26 1v95 s GLN 123 Ca 0.04 -0.91 0.04 0.00 -1.95 0.00 0.00 55.36 52.57 1v95 s GLN 123 Cb -0.13 -2.26 0.11 0.00 -0.22 0.00 0.00 33.01 30.51 1v95 s GLN 123 CO -0.08 0.56 0.13 0.00 -0.25 0.00 0.00 175.29 175.64 1v95 s ALA 124 N -0.94 3.05 0.08 6.09 0.00 -1.26 -4.98 121.76 123.80 1v95 s ALA 124 Ca 0.15 -2.78 -0.35 0.00 0.00 0.00 0.00 51.96 48.98 1v95 s ALA 124 Cb -0.11 -2.06 -0.17 0.00 0.00 0.00 0.00 23.12 20.78 1v95 s ALA 124 CO 0.06 -1.80 1.58 0.77 0.00 0.00 0.00 175.76 176.36 1v95 h SER 125 N 7.28 -1.24 -3.40 0.00 0.02 -2.08 -3.49 113.55 110.64 1v95 h SER 125 Ca -0.06 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1v95 h SER 125 Cb 0.98 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1v95 h SER 125 CO 0.58 -0.67 0.00 0.61 -1.14 0.00 0.00 176.83 176.21 1v95 n GLY 126 N -1.57 0.65 3.80 -3.77 0.00 -1.26 -5.09 105.19 97.95 1v95 n GLY 126 Ca -0.13 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.00 3.57 -0.10 1.61 0.04 -1.26 -5.07 135.00 132.79 1v95 s PRO 127 Ca 0.00 1.25 -0.22 0.00 0.04 0.00 0.00 61.00 62.07 1v95 s PRO 127 Cb 0.00 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.52 1v95 s PRO 127 CO 0.00 -0.61 0.53 0.45 0.04 0.00 0.00 177.00 177.41 1v95 s SER 128 N -2.47 -0.50 -0.27 6.66 0.15 -1.26 -5.14 113.70 110.87 1v95 s SER 128 Ca 0.65 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.98 1v95 s SER 128 Cb -0.16 0.68 0.15 0.00 -1.71 0.00 0.00 66.02 64.99 1v95 s SER 128 CO 0.29 -0.42 0.39 -0.55 1.20 0.00 0.00 173.24 174.16 1v95 s SER 129 N -0.71 0.38 0.00 5.45 0.15 -1.26 -5.32 113.70 112.39 1v95 s SER 129 Ca -0.08 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1v95 s SER 129 Cb -0.03 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 1v95 s SER 129 CO 0.05 -0.33 0.31 0.61 1.20 0.00 0.00 173.24 175.08