#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 -0.01 -3.79 1.61 0.02 -2.12 -3.50 113.55 105.76 1v95 h SER 2 Ca 0.00 -0.16 0.15 0.00 -0.84 0.00 0.00 61.79 60.94 1v95 h SER 2 Cb 0.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 1v95 h SER 2 CO 0.00 0.57 -0.95 -1.20 -1.14 0.00 0.00 176.83 174.11 1v95 n SER 3 N -4.76 -6.82 0.00 3.07 7.64 -1.26 -4.87 113.62 106.62 1v95 n SER 3 Ca -0.02 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.27 1v95 n SER 3 Cb 0.08 -4.13 0.00 0.00 -1.01 0.00 0.00 64.21 59.15 1v95 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v95 n GLY 4 N -3.20 2.01 2.98 0.23 0.00 -1.26 -4.98 105.19 100.97 1v95 n GLY 4 Ca -0.04 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.55 1v95 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v95 n SER 5 N 9.46 -7.27 -3.58 1.61 7.64 -1.26 -5.04 113.62 115.19 1v95 n SER 5 Ca 0.00 0.78 -0.16 0.00 1.01 0.00 0.00 58.87 60.50 1v95 n SER 5 Cb 0.00 -3.73 -0.06 0.00 -1.01 0.00 0.00 64.21 59.41 1v95 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v95 s SER 6 N -1.57 -0.50 0.57 6.43 0.15 -1.26 -5.15 113.70 112.35 1v95 s SER 6 Ca 0.09 0.41 -0.13 0.00 0.70 0.00 0.00 55.95 57.02 1v95 s SER 6 Cb -0.02 0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 64.73 1v95 s SER 6 CO 0.55 -0.63 0.99 -0.83 1.20 0.00 0.00 173.24 174.52 1v95 s GLY 7 N -1.53 1.81 0.16 9.45 0.00 -1.26 -4.82 107.32 111.13 1v95 s GLY 7 Ca -0.09 -0.02 -0.30 0.00 0.00 0.00 0.00 44.72 44.31 1v95 s GLY 7 CO 0.04 0.25 1.12 2.56 0.00 0.00 0.00 173.10 177.08 1v95 s PRO 8 N -4.70 4.56 -0.15 2.90 0.04 -1.26 -4.78 135.00 131.61 1v95 s PRO 8 Ca 0.56 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 63.32 1v95 s PRO 8 Cb -0.11 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 31.20 1v95 s PRO 8 CO 0.44 0.01 0.01 0.08 0.04 0.00 0.00 177.00 177.58 1v95 s VAL 9 N -0.03 0.56 0.35 -0.36 1.01 -1.26 -4.92 120.40 115.75 1v95 s VAL 9 Ca 0.51 -0.33 0.15 0.00 0.00 0.00 0.00 61.98 62.30 1v95 s VAL 9 Cb -0.30 -0.90 0.36 0.00 0.00 0.00 0.00 36.38 35.54 1v95 s VAL 9 CO 0.34 0.01 1.59 0.44 0.00 0.00 0.00 175.10 177.48 1v95 h ASP 10 N 8.25 0.14 -2.19 3.32 3.32 -1.62 -3.30 116.42 124.35 1v95 h ASP 10 Ca -0.19 0.25 -0.27 0.00 0.02 0.00 0.00 57.03 56.85 1v95 h ASP 10 Cb 1.12 0.30 -0.33 0.00 0.22 0.00 0.00 39.33 40.64 1v95 h ASP 10 CO 0.32 -0.36 -0.58 0.00 -1.72 0.00 0.00 179.24 176.90 1v95 s SER 12 N 2.41 6.62 -0.02 0.00 0.01 -0.45 -2.94 113.70 119.33 1v95 s SER 12 Ca 0.09 0.74 -0.22 0.00 1.31 0.00 0.00 55.95 57.87 1v95 s SER 12 Cb -0.15 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 1v95 s SER 12 CO -0.20 0.00 0.66 -0.69 0.41 0.00 0.00 173.24 173.42 1v95 s VAL 13 N 0.70 4.94 -0.28 3.43 1.01 0.11 -0.08 120.40 130.23 1v95 s VAL 13 Ca 0.24 1.38 -0.04 0.00 0.00 0.00 0.00 61.98 63.56 1v95 s VAL 13 Cb -0.15 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.26 1v95 s VAL 13 CO 0.09 0.34 0.01 -0.63 0.00 0.00 0.00 175.10 174.91 1v95 s ILE 14 N 0.23 3.28 -0.32 2.22 -1.09 0.31 0.11 121.20 125.96 1v95 s ILE 14 Ca 0.35 -1.02 0.01 0.00 -2.23 0.00 0.00 60.65 57.76 1v95 s ILE 14 Cb -0.18 -2.74 0.10 0.00 -1.58 0.00 0.00 42.46 38.06 1v95 s ILE 14 CO 0.18 0.07 0.06 0.54 -1.23 0.00 0.00 174.94 174.56 1v95 s VAL 15 N 1.36 1.55 -0.60 2.92 0.11 -0.28 0.16 120.40 125.63 1v95 s VAL 15 Ca -0.01 -1.79 0.26 0.00 -2.93 0.00 0.00 61.98 57.51 1v95 s VAL 15 Cb -0.18 -2.12 0.29 0.00 -1.53 0.00 0.00 36.38 32.84 1v95 s VAL 15 CO -0.01 -0.59 1.75 -0.37 -3.33 0.00 0.00 175.10 172.55 1v95 h VAL 16 N 6.56 0.00 -3.22 2.04 -1.51 -1.77 -1.69 116.25 116.66 1v95 h VAL 16 Ca -0.10 -0.50 -0.53 0.00 -1.23 0.00 0.00 66.70 64.34 1v95 h VAL 16 Cb 1.02 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 31.61 1v95 h VAL 16 CO 0.49 0.00 -0.17 0.20 -1.23 0.00 0.00 177.57 176.85 1v95 s ASN 17 N -4.76 6.49 0.00 4.19 0.02 -1.26 -4.40 114.94 115.21 1v95 s ASN 17 Ca 0.08 0.72 0.18 0.00 -1.02 0.00 0.00 52.86 52.82 1v95 s ASN 17 Cb 0.11 -2.14 0.38 0.00 0.02 0.00 0.00 41.25 39.61 1v95 s ASN 17 CO 0.56 -0.12 1.30 0.29 0.02 0.00 0.00 177.10 179.16 1v95 n LYS 18 N -0.58 2.34 -0.09 -0.60 4.76 -1.26 -4.33 118.16 118.40 1v95 n LYS 18 Ca -0.02 -2.12 -0.18 0.00 -2.87 0.00 0.00 58.31 53.12 1v95 n LYS 18 Cb 0.53 -1.42 -0.13 0.00 -1.84 0.00 0.00 35.03 32.18 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 1.15 0.68 -1.41 1.97 0.00 -1.26 -4.45 117.38 114.05 1v95 n GLN 19 Ca 0.16 0.17 -0.28 0.00 -0.00 0.00 0.00 57.00 57.06 1v95 n GLN 19 Cb 0.52 -1.57 -0.07 0.00 0.00 0.00 0.00 30.24 29.11 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 -3.29 3.86 -0.08 1.69 -2.24 -1.26 -4.40 114.28 108.56 1v95 n THR 20 Ca -0.41 -2.73 -0.15 0.00 -2.27 0.00 0.00 64.05 58.49 1v95 n THR 20 Cb 1.01 -2.05 -0.12 0.00 -2.10 0.00 0.00 70.33 67.08 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 3.79 0.00 -0.17 -0.78 3.64 -1.84 -2.47 116.57 118.73 1v95 h LYS 21 Ca 0.51 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.80 1v95 h LYS 21 Cb 0.77 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1v95 h LYS 21 CO 1.01 0.95 -0.23 -0.44 -2.27 0.00 0.00 179.45 178.47 1v95 h ASP 22 N -1.00 0.50 0.48 4.20 3.32 -1.95 -1.03 116.42 120.93 1v95 h ASP 22 Ca -0.06 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.46 1v95 h ASP 22 Cb 1.00 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1v95 h ASP 22 CO -0.04 0.91 -0.38 0.22 -1.72 0.00 0.00 179.24 178.24 1v95 h TYR 23 N 0.10 -1.01 -0.72 4.55 5.03 -1.86 -1.68 116.97 121.37 1v95 h TYR 23 Ca 0.02 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.39 1v95 h TYR 23 Cb 0.80 0.38 -0.04 0.00 1.55 0.00 0.00 36.73 39.41 1v95 h TYR 23 CO 0.09 -0.54 0.47 0.00 -1.32 0.00 0.00 178.16 176.86 1v95 h ALA 24 N -0.47 1.69 0.00 1.82 0.00 -1.50 0.48 119.26 121.27 1v95 h ALA 24 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1v95 h ALA 24 Cb 0.72 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1v95 h ALA 24 CO -0.00 0.21 0.00 0.39 0.00 0.00 0.00 179.25 179.84 1v95 n GLU 25 N -4.48 0.01 0.00 0.00 1.02 -0.39 -2.19 120.64 114.61 1v95 n GLU 25 Ca 0.10 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1v95 n GLU 25 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 -1.49 0.00 -0.64 1.62 2.88 0.17 -3.00 113.62 113.15 1v95 n SER 26 Ca 0.02 0.20 0.50 0.00 -1.33 0.00 0.00 58.87 58.27 1v95 n SER 26 Cb 0.10 -0.45 0.81 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.08 -0.03 2.46 3.04 -1.49 1.63 116.25 121.94 1v95 h VAL 27 Ca 0.00 -0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.61 1v95 h VAL 27 Cb 0.00 0.07 0.01 0.00 -2.01 0.00 0.00 31.29 29.36 1v95 h VAL 27 CO 0.00 0.00 -0.30 1.23 -1.01 0.00 0.00 177.57 177.49 1v95 h GLY 28 N 0.00 0.28 1.37 3.17 0.00 -1.61 -3.17 103.07 103.11 1v95 h GLY 28 Ca 0.88 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 47.68 1v95 h GLY 28 CO -0.02 0.39 -0.10 0.07 0.00 0.00 0.00 176.54 176.88 1v95 h ARG 29 N -0.32 0.75 -0.79 4.80 0.11 0.22 -2.29 114.38 116.86 1v95 h ARG 29 Ca -0.03 -0.24 0.15 0.00 0.10 0.00 0.00 59.98 59.96 1v95 h ARG 29 Cb 1.00 -0.07 -0.05 0.00 1.11 0.00 0.00 29.97 31.95 1v95 h ARG 29 CO 0.06 0.83 0.52 0.87 0.10 0.00 0.00 179.97 182.35 1v95 h LYS 30 N 0.69 0.45 0.00 0.08 1.79 -0.24 0.82 116.57 120.16 1v95 h LYS 30 Ca 0.12 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.46 1v95 h LYS 30 Cb 0.57 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 1v95 h LYS 30 CO 0.04 0.30 -0.49 0.28 -1.08 0.00 0.00 179.45 178.50 1v95 h VAL 31 N 0.46 1.00 -0.01 0.50 2.07 -1.39 -2.99 116.25 115.89 1v95 h VAL 31 Ca 0.39 -1.94 -0.17 0.00 0.82 0.00 0.00 66.70 65.81 1v95 h VAL 31 Cb 0.85 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1v95 h VAL 31 CO -0.14 0.48 -0.76 0.03 0.02 0.00 0.00 177.57 177.20 1v95 h ARG 32 N 0.00 0.11 0.00 1.57 3.08 0.77 -2.71 114.38 117.21 1v95 h ARG 32 Ca -0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1v95 h ARG 32 Cb 1.13 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1v95 h ARG 32 CO 0.06 0.82 0.00 0.22 -1.07 0.00 0.00 179.97 180.00 1v95 h ASP 33 N 0.07 0.00 0.65 7.04 1.82 -0.72 0.63 116.42 125.92 1v95 h ASP 33 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1v95 h ASP 33 Cb 1.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.35 1v95 h ASP 33 CO 0.11 0.00 -0.53 0.18 -1.61 0.00 0.00 179.24 177.39 1v95 n LEU 34 N -2.89 0.54 0.00 2.28 4.77 -1.06 -4.92 117.00 115.72 1v95 n LEU 34 Ca -0.02 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1v95 n LEU 34 Cb 0.09 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1v95 n LEU 34 CO 0.18 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1v95 n GLY 35 N 1.44 1.01 3.67 -0.72 0.00 0.22 -5.08 105.19 105.73 1v95 n GLY 35 Ca 0.05 -0.15 -0.35 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 -0.42 3.51 -0.01 1.61 1.00 -1.05 -5.01 119.30 118.94 1v95 s MET 36 Ca 0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 55.69 55.04 1v95 s MET 36 Cb 0.00 -3.03 -0.07 0.00 0.00 0.00 0.00 34.83 31.73 1v95 s MET 36 CO 0.00 0.50 1.69 0.08 0.00 0.00 0.00 175.02 177.29 1v95 s VAL 37 N -0.28 3.36 0.11 -6.03 1.01 -1.26 -3.56 120.40 113.75 1v95 s VAL 37 Ca 0.08 0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.68 1v95 s VAL 37 Cb -0.12 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1v95 s VAL 37 CO 0.02 -0.04 -0.15 -0.69 0.00 0.00 0.00 175.10 174.24 1v95 s VAL 38 N 3.66 1.39 0.19 2.92 1.01 -1.26 -1.09 120.40 127.22 1v95 s VAL 38 Ca 0.75 -1.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 1v95 s VAL 38 Cb -0.36 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1v95 s VAL 38 CO 0.32 -0.33 0.30 -0.62 0.00 0.00 0.00 175.10 174.77 1v95 s ASP 39 N -2.28 0.04 -0.12 3.32 2.15 -1.15 -5.01 116.67 113.63 1v95 s ASP 39 Ca 0.07 -1.01 0.03 0.00 0.43 0.00 0.00 52.55 52.07 1v95 s ASP 39 Cb -0.07 0.46 0.00 0.00 -0.30 0.00 0.00 42.92 43.02 1v95 s ASP 39 CO 0.03 -0.94 -0.22 -0.76 -0.17 0.00 0.00 175.17 173.11 1v95 s LEU 40 N -3.03 2.15 -0.34 -1.34 1.02 -1.26 0.05 118.68 115.93 1v95 s LEU 40 Ca 0.24 -0.55 -0.01 0.00 0.02 0.00 0.00 54.13 53.82 1v95 s LEU 40 Cb 0.03 -1.44 0.08 0.00 0.02 0.00 0.00 46.19 44.88 1v95 s LEU 40 CO 0.05 0.14 0.08 -0.63 0.02 0.00 0.00 176.35 176.01 1v95 s ILE 41 N 0.49 3.01 -0.09 -0.59 1.01 0.12 -4.93 121.20 120.21 1v95 s ILE 41 Ca -0.15 -1.74 -0.20 0.00 0.00 0.00 0.00 60.65 58.56 1v95 s ILE 41 Cb -0.17 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1v95 s ILE 41 CO 0.05 -0.38 0.58 -0.36 0.00 0.00 0.00 174.94 174.83 1v95 s PHE 42 N 1.17 3.55 -0.02 3.97 0.08 -1.26 -1.12 117.98 124.34 1v95 s PHE 42 Ca 0.02 1.05 0.05 0.00 0.12 0.00 0.00 56.93 58.17 1v95 s PHE 42 Cb -0.21 -2.66 -0.01 0.00 -0.57 0.00 0.00 43.02 39.57 1v95 s PHE 42 CO -0.03 0.14 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.54 1v95 s LEU 43 N 0.67 1.99 -0.30 -0.37 1.43 -0.63 -5.00 118.68 116.47 1v95 s LEU 43 Ca 0.31 -0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 52.92 1v95 s LEU 43 Cb -0.16 -0.94 0.17 0.00 0.03 0.00 0.00 46.19 45.29 1v95 s LEU 43 CO 0.14 0.19 1.07 0.21 0.23 0.00 0.00 176.35 178.19 1v95 s ASN 44 N -0.25 -0.44 -1.27 2.29 2.47 -1.26 -4.16 114.94 112.33 1v95 s ASN 44 Ca 0.03 0.57 -0.25 0.00 0.42 0.00 0.00 52.86 53.63 1v95 s ASN 44 Cb -0.09 1.49 0.03 0.00 -1.45 0.00 0.00 41.25 41.23 1v95 s ASN 44 CO 0.00 -0.08 0.58 0.41 -3.72 0.00 0.00 177.10 174.29 1v95 n THR 45 N 4.92 -3.07 0.07 -5.21 -1.04 -1.26 -4.74 114.28 103.95 1v95 n THR 45 Ca -0.08 -0.65 0.00 0.00 -2.04 0.00 0.00 64.05 61.28 1v95 n THR 45 Cb 0.53 -2.50 0.00 0.00 -1.82 0.00 0.00 70.33 66.54 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 -4.79 0.00 -4.22 -2.82 2.13 -1.26 -5.16 120.64 104.52 1v95 n GLU 46 Ca -0.15 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.53 1v95 n GLU 46 Cb 0.60 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.21 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 -1.31 0.00 0.45 6.31 -7.23 -1.26 -5.17 120.40 112.19 1v95 s VAL 47 Ca 0.00 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.23 1v95 s VAL 47 Cb 0.00 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.45 1v95 s VAL 47 CO 0.00 0.00 0.62 -0.55 -0.31 0.00 0.00 175.10 174.86 1v95 s SER 48 N -3.20 5.58 0.11 4.85 0.15 -1.26 -4.61 113.70 115.31 1v95 s SER 48 Ca 0.39 -0.26 -0.34 0.00 0.70 0.00 0.00 55.95 56.43 1v95 s SER 48 Cb 0.06 -0.79 -0.14 0.00 -1.71 0.00 0.00 66.02 63.44 1v95 s SER 48 CO 0.15 -0.84 1.56 0.25 1.20 0.00 0.00 173.24 175.56 1v95 h LEU 49 N 0.49 -1.60 -0.78 3.45 6.46 -2.00 -1.44 115.31 119.89 1v95 h LEU 49 Ca -0.41 0.17 0.15 0.00 -0.12 0.00 0.00 57.88 57.67 1v95 h LEU 49 Cb 1.28 0.60 -0.14 0.00 -0.73 0.00 0.00 40.66 41.66 1v95 h LEU 49 CO 0.48 -0.55 -0.25 0.28 -0.62 0.00 0.00 178.44 177.78 1v95 h SER 50 N -0.73 -0.90 -1.39 1.25 0.02 -1.97 1.19 113.55 111.02 1v95 h SER 50 Ca 0.00 0.24 0.43 0.00 -0.84 0.00 0.00 61.79 61.62 1v95 h SER 50 Cb 0.75 0.54 -0.11 0.00 0.14 0.00 0.00 62.40 63.72 1v95 h SER 50 CO -0.31 -0.28 0.93 -0.61 -1.14 0.00 0.00 176.83 175.43 1v95 h GLN 51 N -0.03 0.09 0.19 3.45 5.75 -1.65 1.29 115.11 124.20 1v95 h GLN 51 Ca 0.35 -0.01 -0.35 0.00 -0.15 0.00 0.00 58.65 58.49 1v95 h GLN 51 Cb 0.58 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 29.12 1v95 h GLN 51 CO -0.81 0.06 -1.76 0.00 -2.65 0.00 0.00 178.83 173.67 1v95 h ALA 52 N 1.47 0.15 -0.73 3.38 0.00 0.15 -3.25 119.26 120.44 1v95 h ALA 52 Ca 0.78 -1.14 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1v95 h ALA 52 Cb 2.63 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 20.84 1v95 h ALA 52 CO -0.28 1.02 0.46 -0.07 0.00 0.00 0.00 179.25 180.39 1v95 h LEU 53 N 0.11 0.77 -1.99 0.00 3.38 0.36 0.30 115.31 118.24 1v95 h LEU 53 Ca -0.35 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1v95 h LEU 53 Cb 2.10 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.68 1v95 h LEU 53 CO 0.18 0.54 -0.06 -0.08 0.09 0.00 0.00 178.44 179.11 1v95 h GLU 54 N 0.91 0.00 0.00 1.13 4.81 0.91 -0.14 114.58 122.20 1v95 h GLU 54 Ca 0.29 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.35 1v95 h GLU 54 Cb -0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1v95 h GLU 54 CO -0.10 0.06 -0.97 0.22 -0.73 0.00 0.00 179.01 177.48 1v95 h ASP 55 N 0.00 0.00 -0.51 1.04 1.82 -1.02 -2.62 116.42 115.13 1v95 h ASP 55 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1v95 h ASP 55 Cb 0.12 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.10 1v95 h ASP 55 CO 0.01 0.69 0.25 0.58 -1.61 0.00 0.00 179.24 179.16 1v95 h VAL 56 N 0.00 1.19 0.31 2.25 2.07 0.14 1.21 116.25 123.42 1v95 h VAL 56 Ca -0.07 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1v95 h VAL 56 Cb 1.59 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1v95 h VAL 56 CO 0.08 0.22 -0.15 -1.28 0.02 0.00 0.00 177.57 176.45 1v95 h SER 57 N 0.68 -0.36 -0.67 0.57 0.87 -1.50 0.38 113.55 113.52 1v95 h SER 57 Ca 0.18 -0.04 0.12 0.00 -1.23 0.00 0.00 61.79 60.82 1v95 h SER 57 Cb 0.11 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 1v95 h SER 57 CO -0.02 0.10 0.45 0.08 -0.53 0.00 0.00 176.83 176.91 1v95 h ARG 58 N -1.09 0.40 -0.07 2.24 0.11 -1.48 0.16 114.38 114.64 1v95 h ARG 58 Ca -0.04 -0.02 -0.12 0.00 0.10 0.00 0.00 59.98 59.89 1v95 h ARG 58 Cb 0.38 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 1v95 h ARG 58 CO 0.07 0.26 -0.51 0.78 0.10 0.00 0.00 179.97 180.68 1v95 h GLY 59 N 0.41 0.21 0.00 0.08 0.00 0.15 -3.47 103.07 100.44 1v95 h GLY 59 Ca 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1v95 h GLY 59 CO -0.09 0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.26 1v95 n GLY 60 N 0.02 1.17 3.39 4.60 0.00 0.55 -4.10 105.19 110.83 1v95 n GLY 60 Ca -0.02 -0.22 -0.62 0.00 0.00 0.00 0.00 46.02 45.16 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 0.98 -0.01 1.61 7.64 0.12 -4.82 113.62 119.15 1v95 n SER 61 Ca 0.00 0.94 -0.17 0.00 1.01 0.00 0.00 58.87 60.65 1v95 n SER 61 Cb 0.00 -0.85 -0.10 0.00 -1.01 0.00 0.00 64.21 62.25 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 6.36 0.42 -6.45 1.43 0.13 -1.64 -3.36 132.00 128.88 1v95 h PRO 62 Ca -0.29 -0.40 -0.63 0.00 -0.87 0.00 0.00 66.00 63.81 1v95 h PRO 62 Cb 1.33 0.10 -0.14 0.00 0.13 0.00 0.00 31.00 32.43 1v95 h PRO 62 CO 0.98 1.06 -0.71 -0.06 -0.23 0.00 0.00 178.00 179.04 1v95 s PHE 63 N -3.36 2.72 -0.07 1.56 0.08 -0.62 0.19 117.98 118.47 1v95 s PHE 63 Ca -0.13 -0.18 -0.03 0.00 0.12 0.00 0.00 56.93 56.71 1v95 s PHE 63 Cb 0.04 -1.35 0.04 0.00 -0.57 0.00 0.00 43.02 41.18 1v95 s PHE 63 CO 0.81 0.49 0.14 0.00 -0.10 0.00 0.00 175.22 176.56 1v95 s ALA 64 N -1.56 -0.20 -0.07 5.36 0.00 -0.98 -1.34 121.76 122.96 1v95 s ALA 64 Ca 0.24 0.61 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 1v95 s ALA 64 Cb -0.10 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 1v95 s ALA 64 CO 0.16 -0.29 0.33 0.42 0.00 0.00 0.00 175.76 176.37 1v95 s ILE 65 N 1.55 5.21 -0.23 0.00 1.01 0.88 -1.86 121.20 127.76 1v95 s ILE 65 Ca -0.05 0.65 -0.10 0.00 0.00 0.00 0.00 60.65 61.15 1v95 s ILE 65 Cb -0.12 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 1v95 s ILE 65 CO -0.06 0.52 0.15 0.54 0.00 0.00 0.00 174.94 176.09 1v95 s VAL 66 N -0.55 5.33 -0.15 2.92 0.11 -0.79 0.12 120.40 127.39 1v95 s VAL 66 Ca 0.20 0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.43 1v95 s VAL 66 Cb -0.15 -3.47 0.02 0.00 -1.53 0.00 0.00 36.38 31.25 1v95 s VAL 66 CO 0.09 0.37 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.42 1v95 s ILE 67 N 0.90 1.76 0.00 7.04 -1.09 0.43 -3.39 121.20 126.86 1v95 s ILE 67 Ca 0.07 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 1v95 s ILE 67 Cb -0.13 -1.61 0.00 0.00 -1.58 0.00 0.00 42.46 39.14 1v95 s ILE 67 CO 0.03 0.49 0.00 0.35 -1.23 0.00 0.00 174.94 174.58 1v95 n THR 68 N 4.50 0.00 -0.04 2.92 -2.24 -1.26 -3.31 114.28 114.85 1v95 n THR 68 Ca -0.19 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.57 1v95 n THR 68 Cb 0.51 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 1v95 n THR 68 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1v95 h GLN 69 N 0.00 0.00 -0.75 -0.78 4.20 -1.99 -3.37 115.11 112.43 1v95 h GLN 69 Ca 0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 1v95 h GLN 69 Cb 0.00 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.70 1v95 h GLN 69 CO 0.00 0.00 0.38 1.96 -0.67 0.00 0.00 178.83 180.50 1v95 h GLN 70 N -0.58 0.60 -0.85 1.46 4.20 -1.99 0.24 115.11 118.20 1v95 h GLN 70 Ca 0.00 -0.04 0.25 0.00 0.06 0.00 0.00 58.65 58.92 1v95 h GLN 70 Cb 0.25 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1v95 h GLN 70 CO 0.00 0.40 0.83 0.45 -0.67 0.00 0.00 178.83 179.84 1v95 h HIS 71 N 0.62 0.00 -0.06 2.96 3.86 -1.79 1.35 115.15 122.08 1v95 h HIS 71 Ca 0.37 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.34 1v95 h HIS 71 Cb 0.42 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.91 1v95 h HIS 71 CO -0.10 0.00 -0.90 0.37 0.86 0.00 0.00 177.93 178.15 1v95 h GLN 72 N 0.00 0.73 -0.44 2.45 4.15 -0.67 1.48 115.11 122.80 1v95 h GLN 72 Ca 0.40 -0.69 -0.08 0.00 0.77 0.00 0.00 58.65 59.05 1v95 h GLN 72 Cb 2.07 0.18 -0.02 0.00 0.21 0.00 0.00 27.48 29.92 1v95 h GLN 72 CO -0.00 1.28 -0.03 0.82 -1.93 0.00 0.00 178.83 178.97 1v95 h ILE 73 N 0.42 1.27 0.00 2.39 2.04 0.17 -2.63 117.51 121.17 1v95 h ILE 73 Ca -0.09 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1v95 h ILE 73 Cb 1.55 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1v95 h ILE 73 CO 0.18 0.37 -0.48 1.41 0.00 0.00 0.00 178.15 179.63 1v95 n HIS 74 N -4.36 0.65 -3.24 1.37 8.25 -0.06 -4.94 115.22 112.89 1v95 n HIS 74 Ca -0.00 0.19 -0.23 0.00 -0.26 0.00 0.00 57.72 57.41 1v95 n HIS 74 Cb 0.32 -0.73 0.04 0.00 1.12 0.00 0.00 29.99 30.75 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 -2.15 -5.57 -4.63 -0.41 1.74 0.48 -4.98 116.66 101.13 1v95 n ARG 75 Ca 0.04 0.84 -0.25 0.00 -0.77 0.00 0.00 57.85 57.71 1v95 n ARG 75 Cb 0.44 -5.74 -0.14 0.00 -1.02 0.00 0.00 32.46 26.00 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 -2.89 2.27 0.47 0.55 1.04 0.48 -4.23 113.70 111.40 1v95 s SER 76 Ca 0.40 -0.48 0.04 0.00 0.48 0.00 0.00 55.95 56.39 1v95 s SER 76 Cb -0.18 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 1v95 s SER 76 CO 0.50 0.15 0.01 0.00 0.98 0.00 0.00 173.24 174.88 1v95 s THR 78 N -2.80 2.70 -0.29 0.00 2.01 -1.22 -2.63 115.64 113.41 1v95 s THR 78 Ca 0.19 -0.98 -0.20 0.00 0.31 0.00 0.00 61.69 61.00 1v95 s THR 78 Cb 0.05 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 1v95 s THR 78 CO 0.10 0.29 0.63 -0.69 -0.69 0.00 0.00 174.62 174.26 1v95 s VAL 79 N 1.32 4.95 -0.27 3.82 1.01 -1.23 -1.88 120.40 128.11 1v95 s VAL 79 Ca 0.01 0.95 0.01 0.00 0.00 0.00 0.00 61.98 62.96 1v95 s VAL 79 Cb -0.16 -3.98 0.06 0.00 0.00 0.00 0.00 36.38 32.30 1v95 s VAL 79 CO -0.06 -0.09 -0.08 0.20 0.00 0.00 0.00 175.10 175.08 1v95 s ASN 80 N 1.58 4.59 0.35 3.32 0.01 -0.78 -1.87 114.94 122.15 1v95 s ASN 80 Ca 0.26 -1.36 -0.26 0.00 -0.71 0.00 0.00 52.86 50.79 1v95 s ASN 80 Cb -0.15 -1.60 -0.09 0.00 0.41 0.00 0.00 41.25 39.81 1v95 s ASN 80 CO 0.11 -0.21 1.03 -0.63 -1.51 0.00 0.00 177.10 175.88 1v95 s ILE 81 N 1.15 3.81 -0.07 0.60 1.01 -1.01 -2.33 121.20 124.36 1v95 s ILE 81 Ca -0.08 1.51 0.08 0.00 0.00 0.00 0.00 60.65 62.16 1v95 s ILE 81 Cb -0.20 -3.84 -0.11 0.00 0.01 0.00 0.00 42.46 38.31 1v95 s ILE 81 CO -0.04 0.13 0.06 0.23 0.00 0.00 0.00 174.94 175.33 1v95 n MET 82 N 0.40 2.15 -3.65 2.79 2.81 0.50 -4.55 117.12 117.58 1v95 n MET 82 Ca 0.03 -0.02 -0.25 0.00 -1.81 0.00 0.00 57.70 55.65 1v95 n MET 82 Cb 0.49 -1.22 -0.02 0.00 -0.71 0.00 0.00 33.22 31.75 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 -2.29 3.48 0.00 2.03 -0.12 -1.25 -4.98 117.98 114.85 1v95 s PHE 83 Ca -0.04 0.27 0.00 0.00 -0.05 0.00 0.00 56.93 57.11 1v95 s PHE 83 Cb 0.03 -1.81 0.00 0.00 -0.63 0.00 0.00 43.02 40.61 1v95 s PHE 83 CO 0.36 0.31 0.00 0.41 -0.05 0.00 0.00 175.22 176.25 1v95 n GLY 84 N -1.18 -0.60 3.33 1.99 0.00 -1.26 -4.75 105.19 102.71 1v95 n GLY 84 Ca -0.06 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.62 0.90 -2.31 2.61 -1.04 -1.26 -4.74 114.28 106.82 1v95 n THR 85 Ca 0.00 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.16 1v95 n THR 85 Cb 0.00 -0.09 -0.04 0.00 -1.82 0.00 0.00 70.33 68.38 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 -1.10 3.06 -0.34 -2.82 0.04 -1.26 -4.89 135.00 127.69 1v95 s PRO 86 Ca 0.60 -0.57 -0.08 0.00 0.04 0.00 0.00 61.00 60.99 1v95 s PRO 86 Cb -0.64 -5.06 0.03 0.00 0.04 0.00 0.00 34.50 28.86 1v95 s PRO 86 CO 0.62 -2.72 0.13 -0.65 0.04 0.00 0.00 177.00 174.41 1v95 s GLN 87 N 6.04 2.75 -0.31 4.56 -1.52 -1.26 -5.06 119.66 124.86 1v95 s GLN 87 Ca 0.57 -1.10 -0.02 0.00 -1.95 0.00 0.00 55.36 52.85 1v95 s GLN 87 Cb -0.04 -3.52 0.05 0.00 -0.22 0.00 0.00 33.01 29.28 1v95 s GLN 87 CO -0.02 -0.64 0.02 -2.00 -0.25 0.00 0.00 175.29 172.40 1v95 s GLU 88 N 1.46 2.42 -0.08 2.91 2.12 -1.26 -2.40 118.70 123.87 1v95 s GLU 88 Ca -0.00 -1.29 -0.18 0.00 0.36 0.00 0.00 54.97 53.86 1v95 s GLU 88 Cb -0.19 -3.23 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 1v95 s GLU 88 CO 0.04 -0.65 0.48 -1.01 -0.54 0.00 0.00 175.26 173.58 1v95 s HIS 89 N 1.26 3.58 -0.16 5.30 3.76 -0.78 -5.05 115.29 123.20 1v95 s HIS 89 Ca -0.04 0.96 0.00 0.00 -0.15 0.00 0.00 55.06 55.83 1v95 s HIS 89 Cb -0.20 -2.51 -0.00 0.00 1.11 0.00 0.00 32.58 30.98 1v95 s HIS 89 CO -0.01 0.28 -0.15 1.03 -0.85 0.00 0.00 174.74 175.05 1v95 s ARG 90 N 0.18 3.22 -0.21 1.40 0.52 -1.26 -3.57 118.95 119.23 1v95 s ARG 90 Ca 0.26 -0.74 -0.07 0.00 -0.52 0.00 0.00 55.73 54.66 1v95 s ARG 90 Cb -0.16 -2.65 0.03 0.00 0.52 0.00 0.00 34.95 32.69 1v95 s ARG 90 CO 0.12 -0.00 0.13 -1.71 0.02 0.00 0.00 175.30 173.86 1v95 n ASN 91 N 4.11 -3.36 -3.92 0.23 5.15 -1.26 -5.06 115.26 111.15 1v95 n ASN 91 Ca -0.19 1.23 -0.16 0.00 -0.60 0.00 0.00 54.58 54.86 1v95 n ASN 91 Cb 0.52 -4.82 -0.15 0.00 -0.53 0.00 0.00 39.78 34.80 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 -1.02 0.41 0.33 1.20 -1.94 -1.08 -5.03 119.30 112.16 1v95 s MET 92 Ca -0.15 -0.12 -0.27 0.00 -1.71 0.00 0.00 55.69 53.44 1v95 s MET 92 Cb 0.01 -0.43 -0.09 0.00 2.01 0.00 0.00 34.83 36.33 1v95 s MET 92 CO 0.70 0.04 1.07 -1.25 -0.01 0.00 0.00 175.02 175.58 1v95 s PRO 93 N 0.17 4.45 0.00 2.03 0.04 -1.26 -2.90 135.00 137.53 1v95 s PRO 93 Ca -0.02 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1v95 s PRO 93 Cb -0.05 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1v95 s PRO 93 CO -0.00 0.08 0.86 1.04 0.04 0.00 0.00 177.00 179.02 1v95 n GLN 94 N 0.68 0.00 -0.36 4.56 6.02 -1.26 0.85 117.38 127.87 1v95 n GLN 94 Ca 0.01 0.86 -0.09 0.00 -0.01 0.00 0.00 57.00 57.77 1v95 n GLN 94 Cb 0.47 -1.31 -0.08 0.00 1.02 0.00 0.00 30.24 30.34 1v95 n GLN 94 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1v95 n ALA 95 N -2.74 -0.55 -0.00 -1.58 0.00 -1.26 0.12 120.51 114.50 1v95 n ALA 95 Ca 0.00 0.74 -0.14 0.00 0.00 0.00 0.00 53.44 54.04 1v95 n ALA 95 Cb 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.54 -0.74 0.00 5.19 -1.24 0.21 116.42 118.31 1v95 h ASP 96 Ca 0.14 0.19 0.17 0.00 -0.62 0.00 0.00 57.03 56.91 1v95 h ASP 96 Cb 0.36 0.61 -0.12 0.00 0.18 0.00 0.00 39.33 40.36 1v95 h ASP 96 CO -0.81 -0.46 0.14 0.00 -3.12 0.00 0.00 179.24 174.99 1v95 h ALA 97 N -0.11 0.93 0.00 3.45 0.00 0.51 1.47 119.26 125.50 1v95 h ALA 97 Ca 0.05 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1v95 h ALA 97 Cb 0.66 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1v95 h ALA 97 CO -0.42 -0.37 -0.03 0.52 0.00 0.00 0.00 179.25 178.96 1v95 h MET 98 N 0.23 0.00 0.08 0.00 2.86 0.32 0.56 114.93 118.98 1v95 h MET 98 Ca 0.42 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.81 1v95 h MET 98 Cb 0.73 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1v95 h MET 98 CO -0.55 0.03 -1.32 -0.24 1.06 0.00 0.00 176.91 175.90 1v95 h VAL 99 N 0.00 1.03 0.00 -2.22 3.04 0.42 -0.77 116.25 117.75 1v95 h VAL 99 Ca -0.00 -2.34 -0.03 0.00 -1.01 0.00 0.00 66.70 63.32 1v95 h VAL 99 Cb 0.07 2.63 -0.00 0.00 -2.01 0.00 0.00 31.29 31.98 1v95 h VAL 99 CO 0.00 0.62 -0.13 0.25 -1.01 0.00 0.00 177.57 177.30 1v95 h LEU 100 N -0.49 0.00 0.01 3.16 6.46 0.19 1.31 115.31 125.95 1v95 h LEU 100 Ca -0.30 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.32 1v95 h LEU 100 Cb 1.62 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.53 1v95 h LEU 100 CO -0.01 0.13 -0.74 1.62 -0.62 0.00 0.00 178.44 178.82 1v95 h VAL 101 N 0.00 1.30 -0.39 1.05 3.04 0.01 -2.34 116.25 118.92 1v95 h VAL 101 Ca -0.00 -2.27 -0.04 0.00 -1.01 0.00 0.00 66.70 63.38 1v95 h VAL 101 Cb 0.28 2.76 -0.02 0.00 -2.01 0.00 0.00 31.29 32.30 1v95 h VAL 101 CO 0.02 0.47 0.09 0.00 -1.01 0.00 0.00 177.57 177.13 1v95 h ALA 102 N -0.25 1.43 0.13 3.17 0.00 -0.88 0.68 119.26 123.54 1v95 h ALA 102 Ca -0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1v95 h ALA 102 Cb 1.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1v95 h ALA 102 CO -0.10 0.42 -0.06 0.00 0.00 0.00 0.00 179.25 179.51 1v95 h ARG 103 N 0.56 -0.16 -0.63 0.00 2.47 0.16 -2.71 114.38 114.06 1v95 h ARG 103 Ca 0.13 0.01 0.11 0.00 -1.26 0.00 0.00 59.98 58.97 1v95 h ARG 103 Cb 0.23 0.04 -0.12 0.00 -1.65 0.00 0.00 29.97 28.47 1v95 h ARG 103 CO -0.00 -0.11 -0.34 -0.91 0.56 0.00 0.00 179.97 179.17 1v95 h ASN 104 N -0.32 -1.19 -0.70 7.04 2.35 -1.43 -0.27 115.58 121.07 1v95 h ASN 104 Ca -0.02 0.24 0.09 0.00 -0.55 0.00 0.00 56.30 56.06 1v95 h ASN 104 Cb 0.13 0.59 -0.11 0.00 0.05 0.00 0.00 38.32 38.98 1v95 h ASN 104 CO 0.03 -0.30 -0.49 0.22 -1.65 0.00 0.00 177.43 175.24 1v95 h TYR 105 N -0.14 -1.48 -0.87 1.19 3.20 -0.97 0.81 116.97 118.71 1v95 h TYR 105 Ca 0.24 0.10 0.09 0.00 3.14 0.00 0.00 58.73 62.30 1v95 h TYR 105 Cb 0.56 0.74 -0.12 0.00 1.54 0.00 0.00 36.73 39.45 1v95 h TYR 105 CO -0.66 -0.42 -0.54 0.93 -1.64 0.00 0.00 178.16 175.82 1v95 h GLU 106 N -0.18 -0.08 0.55 1.82 4.39 -0.71 0.70 114.58 121.08 1v95 h GLU 106 Ca 0.18 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 1v95 h GLU 106 Cb 0.54 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1v95 h GLU 106 CO -0.77 -0.05 -0.27 -0.09 -1.16 0.00 0.00 179.01 176.67 1v95 h ARG 107 N -0.08 -0.72 -0.96 2.33 2.43 -0.82 -1.84 114.38 114.72 1v95 h ARG 107 Ca 0.18 0.05 0.31 0.00 -0.81 0.00 0.00 59.98 59.70 1v95 h ARG 107 Cb 0.48 0.16 -0.16 0.00 -0.42 0.00 0.00 29.97 30.03 1v95 h ARG 107 CO -0.87 -0.44 0.36 -0.92 -1.51 0.00 0.00 179.97 176.59 1v95 h TYR 108 N -0.85 0.55 -0.40 2.20 3.20 0.18 1.00 116.97 122.85 1v95 h TYR 108 Ca -0.08 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 1v95 h TYR 108 Cb 0.61 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1v95 h TYR 108 CO -0.02 -0.30 0.04 0.87 -1.64 0.00 0.00 178.16 177.11 1v95 h LYS 109 N 0.16 0.68 -0.98 1.82 1.57 0.62 0.26 116.57 120.69 1v95 h LYS 109 Ca 0.68 -0.20 0.28 0.00 -1.87 0.00 0.00 60.65 59.54 1v95 h LYS 109 Cb 1.54 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.74 1v95 h LYS 109 CO -0.72 0.74 0.70 -0.91 -0.57 0.00 0.00 179.45 178.69 1v95 h ASN 110 N 0.51 0.07 0.49 0.86 2.35 0.19 1.04 115.58 121.10 1v95 h ASN 110 Ca 0.12 0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.71 1v95 h ASN 110 Cb 0.41 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1v95 h ASN 110 CO 0.01 0.02 -1.65 -0.62 -1.65 0.00 0.00 177.43 173.55 1v95 n GLU 111 N -4.30 0.64 0.05 0.81 -0.58 -0.73 -3.96 120.64 112.57 1v95 n GLU 111 Ca 0.21 0.12 -0.12 0.00 -0.42 0.00 0.00 57.16 56.95 1v95 n GLU 111 Cb 1.00 -1.72 -0.09 0.00 -0.57 0.00 0.00 31.44 30.07 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 -0.74 0.06 -5.24 0.00 2.43 0.54 -3.35 114.38 108.08 1v95 h ARG 113 Ca -0.02 -0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.93 1v95 h ARG 113 Cb 0.53 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1v95 h ARG 113 CO 0.03 0.04 0.99 0.39 -1.51 0.00 0.00 179.97 179.92 1v95 n GLU 114 N -5.41 0.41 0.07 0.20 -0.58 -1.21 -3.73 120.64 110.38 1v95 n GLU 114 Ca 0.15 -0.41 0.00 0.00 -0.42 0.00 0.00 57.16 56.48 1v95 n GLU 114 Cb 0.51 -2.66 0.00 0.00 -0.57 0.00 0.00 31.44 28.71 1v95 n GLU 114 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1v95 n LYS 115 N 7.81 0.00 -3.72 3.49 4.81 -1.26 -5.01 118.16 124.28 1v95 n LYS 115 Ca 0.54 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.86 1v95 n LYS 115 Cb 0.32 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.25 1v95 n LYS 115 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1v95 s GLU 116 N -1.32 0.25 -0.54 1.64 1.03 -1.24 -5.08 118.70 113.44 1v95 s GLU 116 Ca 0.00 0.59 -0.29 0.00 0.03 0.00 0.00 54.97 55.30 1v95 s GLU 116 Cb 0.00 -0.09 -0.15 0.00 -0.80 0.00 0.00 34.13 33.09 1v95 s GLU 116 CO 0.00 -0.16 1.79 0.54 -1.33 0.00 0.00 175.26 176.10 1v95 n ARG 117 N 4.21 0.00 -0.80 -4.83 1.74 -1.26 -4.79 116.66 110.92 1v95 n ARG 117 Ca -0.25 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.51 1v95 n ARG 117 Cb 0.54 -1.13 0.10 0.00 -1.02 0.00 0.00 32.46 30.95 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 5.97 -0.90 -1.80 5.56 2.13 -1.26 -4.93 120.64 125.41 1v95 n GLU 118 Ca 0.45 -0.26 -0.11 0.00 0.66 0.00 0.00 57.16 57.90 1v95 n GLU 118 Cb -0.01 -1.33 0.07 0.00 0.27 0.00 0.00 31.44 30.44 1v95 n GLU 118 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1v95 n GLU 119 N 0.17 2.57 -4.16 5.31 2.13 -1.26 -5.04 120.64 120.36 1v95 n GLU 119 Ca -0.00 -3.70 -0.33 0.00 0.66 0.00 0.00 57.16 53.79 1v95 n GLU 119 Cb 0.62 -1.85 -0.08 0.00 0.27 0.00 0.00 31.44 30.41 1v95 n GLU 119 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1v95 s ILE 120 N -3.82 4.51 -0.55 6.31 1.01 -1.26 -5.05 121.20 122.35 1v95 s ILE 120 Ca 0.43 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.63 1v95 s ILE 120 Cb 0.38 -3.06 0.29 0.00 0.01 0.00 0.00 42.46 40.09 1v95 s ILE 120 CO -0.01 0.34 0.77 0.00 0.00 0.00 0.00 174.94 176.03 1v95 n ALA 121 N 1.18 3.74 -2.43 9.38 0.00 -1.26 -5.07 120.51 126.05 1v95 n ALA 121 Ca -0.13 -4.36 -0.43 0.00 0.00 0.00 0.00 53.44 48.52 1v95 n ALA 121 Cb 0.53 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.57 4.29 -0.36 0.00 3.52 -1.26 -4.97 118.95 117.61 1v95 s ARG 122 Ca 0.42 1.68 0.06 0.00 -0.13 0.00 0.00 55.73 57.76 1v95 s ARG 122 Cb 0.22 -3.65 0.18 0.00 -1.56 0.00 0.00 34.95 30.13 1v95 s ARG 122 CO -0.07 -0.57 0.54 -1.14 -0.81 0.00 0.00 175.30 173.25 1v95 s GLN 123 N 2.81 0.67 0.35 5.12 0.74 -1.26 -5.15 119.66 122.93 1v95 s GLN 123 Ca 0.56 -0.12 0.05 0.00 0.05 0.00 0.00 55.36 55.90 1v95 s GLN 123 Cb -0.24 -0.07 -0.07 0.00 1.10 0.00 0.00 33.01 33.74 1v95 s GLN 123 CO 0.19 -1.14 0.03 0.00 -0.55 0.00 0.00 175.29 173.82 1v95 s ALA 124 N 2.10 2.65 -0.28 1.58 0.00 -1.26 -5.16 121.76 121.40 1v95 s ALA 124 Ca 0.14 -2.13 -0.19 0.00 0.00 0.00 0.00 51.96 49.78 1v95 s ALA 124 Cb -0.09 0.43 0.10 0.00 0.00 0.00 0.00 23.12 23.56 1v95 s ALA 124 CO -0.14 -0.21 0.84 0.45 0.00 0.00 0.00 175.76 176.69 1v95 s SER 125 N -3.56 -0.70 -0.41 0.00 0.15 -1.26 -5.13 113.70 102.79 1v95 s SER 125 Ca 0.35 1.19 -0.16 0.00 0.70 0.00 0.00 55.95 58.04 1v95 s SER 125 Cb 0.09 1.26 0.02 0.00 -1.71 0.00 0.00 66.02 65.68 1v95 s SER 125 CO 0.16 -0.19 0.35 -0.83 1.20 0.00 0.00 173.24 173.92 1v95 s GLY 126 N 1.10 1.96 0.03 9.45 0.00 -1.26 -4.94 107.32 113.66 1v95 s GLY 126 Ca -0.06 -1.60 -0.18 0.00 0.00 0.00 0.00 44.72 42.89 1v95 s GLY 126 CO -0.13 1.00 1.16 -0.56 0.00 0.00 0.00 173.10 174.58 1v95 h PRO 127 N 8.65 0.50 -3.51 2.90 0.13 -2.08 -3.50 132.00 135.09 1v95 h PRO 127 Ca -0.27 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1v95 h PRO 127 Cb 1.12 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1v95 h PRO 127 CO 0.74 1.13 -0.82 0.43 -0.23 0.00 0.00 178.00 179.25 1v95 n SER 128 N -4.16 -8.39 -3.66 1.44 7.64 -1.26 -5.07 113.62 100.16 1v95 n SER 128 Ca -0.10 1.16 -0.14 0.00 1.01 0.00 0.00 58.87 60.80 1v95 n SER 128 Cb 0.68 -4.20 -0.08 0.00 -1.01 0.00 0.00 64.21 59.60 1v95 n SER 128 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v95 s SER 129 N -1.95 -0.54 0.00 6.43 0.15 -1.26 -5.33 113.70 111.20 1v95 s SER 129 Ca 0.00 0.89 0.08 0.00 0.70 0.00 0.00 55.95 57.62 1v95 s SER 129 Cb 0.00 0.90 0.06 0.00 -1.71 0.00 0.00 66.02 65.27 1v95 s SER 129 CO 0.00 -0.31 0.75 0.61 1.20 0.00 0.00 173.24 175.49