#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v6f s SER 2 N 0.00 6.44 0.52 1.61 0.15 -1.26 -5.08 113.70 116.08 1v6f s SER 2 Ca 0.00 0.52 -0.12 0.00 0.70 0.00 0.00 55.95 57.05 1v6f s SER 2 Cb 0.00 -2.18 -0.06 0.00 -1.71 0.00 0.00 66.02 62.07 1v6f s SER 2 CO 0.00 0.11 0.92 -0.44 1.20 0.00 0.00 173.24 175.03 1v6f s SER 3 N 0.42 6.42 -0.92 5.45 0.01 -1.26 -4.87 113.70 118.96 1v6f s SER 3 Ca 0.17 1.33 -0.31 0.00 1.31 0.00 0.00 55.95 58.45 1v6f s SER 3 Cb -0.13 -2.42 -0.20 0.00 0.21 0.00 0.00 66.02 63.48 1v6f s SER 3 CO 0.04 -0.63 2.64 0.61 0.41 0.00 0.00 173.24 176.30 1v6f n GLY 4 N -1.99 -0.40 3.56 3.44 0.00 -1.26 -4.74 105.19 103.81 1v6f n GLY 4 Ca 0.05 1.11 -0.39 0.00 0.00 0.00 0.00 46.02 46.79 1v6f n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v6f n SER 5 N 10.83 2.60 -4.90 1.61 7.64 -1.26 -4.94 113.62 125.20 1v6f n SER 5 Ca 0.62 -0.25 -0.34 0.00 1.01 0.00 0.00 58.87 59.92 1v6f n SER 5 Cb 0.08 -1.56 -0.05 0.00 -1.01 0.00 0.00 64.21 61.66 1v6f n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v6f s SER 6 N 10.81 6.41 -0.42 6.43 0.15 -1.26 -5.00 113.70 130.82 1v6f s SER 6 Ca 1.00 0.43 -0.03 0.00 0.70 0.00 0.00 55.95 58.04 1v6f s SER 6 Cb -0.26 -2.03 0.08 0.00 -1.71 0.00 0.00 66.02 62.10 1v6f s SER 6 CO 0.30 0.26 2.68 0.61 1.20 0.00 0.00 173.24 178.29 1v6f n GLY 7 N 1.02 4.29 3.13 9.45 0.00 -1.26 -4.82 105.19 117.01 1v6f n GLY 7 Ca -0.11 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 1v6f n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v6f s SER 8 N 0.35 5.40 -0.50 1.61 0.01 -1.26 -4.92 113.70 114.38 1v6f s SER 8 Ca 0.55 -2.58 0.01 0.00 1.31 0.00 0.00 55.95 55.24 1v6f s SER 8 Cb 0.36 -1.89 0.50 0.00 0.21 0.00 0.00 66.02 65.20 1v6f s SER 8 CO -0.18 -0.45 1.93 -1.84 0.41 0.00 0.00 173.24 173.11 1v6f n GLU 9 N 3.89 2.32 -3.94 12.44 0.00 -1.26 -4.78 120.64 129.32 1v6f n GLU 9 Ca 0.05 -2.83 -0.30 0.00 0.00 0.00 0.00 57.16 54.07 1v6f n GLU 9 Cb 0.39 -2.11 -0.14 0.00 0.00 0.00 0.00 31.44 29.59 1v6f n GLU 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1v6f s SER 10 N -1.26 4.37 0.12 -1.84 0.15 -1.26 -5.09 113.70 108.89 1v6f s SER 10 Ca 0.55 -2.99 0.02 0.00 0.70 0.00 0.00 55.95 54.23 1v6f s SER 10 Cb 0.44 -1.65 -0.04 0.00 -1.71 0.00 0.00 66.02 63.07 1v6f s SER 10 CO 0.04 -0.24 0.22 -0.76 1.20 0.00 0.00 173.24 173.70 1v6f s LEU 11 N -0.25 4.20 -0.32 3.45 1.43 -1.26 -4.99 118.68 120.94 1v6f s LEU 11 Ca 0.17 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1v6f s LEU 11 Cb -0.26 -2.80 0.07 0.00 0.03 0.00 0.00 46.19 43.23 1v6f s LEU 11 CO -0.00 0.10 0.03 -0.69 0.23 0.00 0.00 176.35 176.02 1v6f s VAL 12 N -1.64 2.85 -0.03 -1.59 1.01 -1.24 -5.04 120.40 114.72 1v6f s VAL 12 Ca 0.34 -1.66 -0.16 0.00 0.00 0.00 0.00 61.98 60.49 1v6f s VAL 12 Cb -0.12 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1v6f s VAL 12 CO 0.27 -0.26 0.44 -0.69 0.00 0.00 0.00 175.10 174.86 1v6f s VAL 13 N 1.17 5.05 0.49 2.92 1.01 -1.26 -3.71 120.40 126.07 1v6f s VAL 13 Ca -0.01 0.90 0.07 0.00 0.00 0.00 0.00 61.98 62.94 1v6f s VAL 13 Cb -0.20 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1v6f s VAL 13 CO -0.03 0.50 0.41 0.00 0.00 0.00 0.00 175.10 175.98 1v6f s ASP 15 N -4.23 5.03 -0.09 0.00 1.11 -1.10 -4.82 116.67 112.57 1v6f s ASP 15 Ca 0.42 -0.13 -0.29 0.00 0.18 0.00 0.00 52.55 52.73 1v6f s ASP 15 Cb -0.02 -1.23 -0.02 0.00 1.07 0.00 0.00 42.92 42.72 1v6f s ASP 15 CO 0.25 0.21 0.97 0.68 1.18 0.00 0.00 175.17 178.46 1v6f s VAL 16 N -1.23 4.82 0.26 -1.27 -7.23 -1.26 -0.10 120.40 114.38 1v6f s VAL 16 Ca 0.24 1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 62.09 1v6f s VAL 16 Cb -0.12 -4.29 -0.10 0.00 0.56 0.00 0.00 36.38 32.44 1v6f s VAL 16 CO 0.16 0.04 1.38 0.00 -0.31 0.00 0.00 175.10 176.37 1v6f s ALA 17 N 1.82 3.58 0.19 1.32 0.00 -0.70 -4.82 121.76 123.15 1v6f s ALA 17 Ca 0.47 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.58 1v6f s ALA 17 Cb -0.18 -3.52 0.23 0.00 0.00 0.00 0.00 23.12 19.64 1v6f s ALA 17 CO 0.19 -0.68 1.70 1.05 0.00 0.00 0.00 175.76 178.02 1v6f h GLU 18 N 4.74 0.20 -0.43 0.00 4.11 -1.95 0.20 114.58 121.45 1v6f h GLU 18 Ca -0.46 -0.01 0.11 0.00 0.07 0.00 0.00 59.36 59.07 1v6f h GLU 18 Cb 1.22 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1v6f h GLU 18 CO 0.75 0.13 0.30 -0.44 0.07 0.00 0.00 179.01 179.82 1v6f h ASP 19 N 0.20 0.05 0.00 3.06 5.19 -1.96 -2.37 116.42 120.60 1v6f h ASP 19 Ca 0.27 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.67 1v6f h ASP 19 Cb 0.40 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.89 1v6f h ASP 19 CO -0.38 0.03 -0.11 0.25 -3.12 0.00 0.00 179.24 175.91 1v6f h LEU 20 N 0.06 0.00 -0.91 1.55 6.46 -1.06 -3.36 115.31 118.05 1v6f h LEU 20 Ca 0.20 -0.50 0.18 0.00 -0.12 0.00 0.00 57.88 57.65 1v6f h LEU 20 Cb 0.73 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 40.48 1v6f h LEU 20 CO -0.01 0.81 -0.23 0.58 -0.62 0.00 0.00 178.44 178.97 1v6f h VAL 21 N -1.00 0.09 -0.91 1.05 2.07 -0.47 0.53 116.25 117.61 1v6f h VAL 21 Ca -0.02 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.75 1v6f h VAL 21 Cb 0.58 0.09 -0.14 0.00 -1.52 0.00 0.00 31.29 30.29 1v6f h VAL 21 CO -0.01 0.00 0.31 1.05 0.02 0.00 0.00 177.57 178.93 1v6f h GLU 22 N -0.00 0.23 -0.03 1.57 4.11 -1.58 0.16 114.58 119.04 1v6f h GLU 22 Ca 0.44 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.85 1v6f h GLU 22 Cb 0.66 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1v6f h GLU 22 CO -0.94 0.15 0.01 0.87 0.07 0.00 0.00 179.01 179.17 1v6f h LYS 23 N 0.24 0.05 -0.61 1.06 1.57 -0.09 -2.79 116.57 116.00 1v6f h LYS 23 Ca 0.59 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.41 1v6f h LYS 23 Cb 1.23 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1v6f h LYS 23 CO -0.64 0.26 0.33 -0.07 -0.57 0.00 0.00 179.45 178.75 1v6f h LEU 24 N -0.16 0.48 -0.47 2.94 3.38 -0.48 -1.67 115.31 119.32 1v6f h LEU 24 Ca 0.01 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1v6f h LEU 24 Cb 0.23 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1v6f h LEU 24 CO 0.00 0.32 0.05 0.03 0.09 0.00 0.00 178.44 178.92 1v6f h ARG 25 N 0.61 0.16 -0.77 1.13 3.08 -0.71 -1.42 114.38 116.47 1v6f h ARG 25 Ca 0.27 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 1v6f h ARG 25 Cb 0.16 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1v6f h ARG 25 CO -0.17 0.11 0.35 0.87 -1.07 0.00 0.00 179.97 180.05 1v6f h LYS 26 N 0.17 1.12 -0.70 0.04 1.79 -1.15 -2.60 116.57 115.25 1v6f h LYS 26 Ca 0.24 -0.18 0.13 0.00 -2.18 0.00 0.00 60.65 58.65 1v6f h LYS 26 Cb 0.34 -0.19 -0.13 0.00 -1.58 0.00 0.00 32.23 30.66 1v6f h LYS 26 CO -0.35 0.89 -0.29 0.35 -1.08 0.00 0.00 179.45 178.96 1v6f h PHE 27 N 1.09 -0.76 -0.16 -1.35 3.04 -0.35 1.87 116.94 120.33 1v6f h PHE 27 Ca 0.26 0.07 -0.03 0.00 3.98 0.00 0.00 57.97 62.26 1v6f h PHE 27 Cb 0.16 0.44 -0.01 0.00 2.56 0.00 0.00 35.95 39.10 1v6f h PHE 27 CO 0.01 -0.37 -0.01 0.00 -2.02 0.00 0.00 178.31 175.93 1v6f h ARG 28 N -0.09 0.28 -1.11 1.11 2.47 -1.37 -2.99 114.38 112.68 1v6f h ARG 28 Ca 0.29 -0.10 -0.41 0.00 -1.26 0.00 0.00 59.98 58.51 1v6f h ARG 28 Cb 0.56 -0.02 -0.21 0.00 -1.65 0.00 0.00 29.97 28.64 1v6f h ARG 28 CO -0.75 0.53 0.52 1.19 0.56 0.00 0.00 179.97 182.02 1v6f n PHE 29 N -4.73 2.21 -2.12 3.04 3.72 -0.35 -4.95 117.46 114.29 1v6f n PHE 29 Ca -0.05 -1.82 -0.42 0.00 -0.05 0.00 0.00 57.45 55.10 1v6f n PHE 29 Cb 0.23 -0.91 -0.03 0.00 -0.94 0.00 0.00 39.48 37.84 1v6f n PHE 29 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1v6f s ARG 30 N -2.46 4.22 -0.28 -1.08 1.70 0.62 -4.88 118.95 116.78 1v6f s ARG 30 Ca 0.42 2.06 -0.02 0.00 -0.47 0.00 0.00 55.73 57.72 1v6f s ARG 30 Cb 0.35 -3.81 0.13 0.00 -0.57 0.00 0.00 34.95 31.05 1v6f s ARG 30 CO 0.05 -0.75 2.22 1.63 -1.08 0.00 0.00 175.30 177.37 1v6f n LYS 31 N 6.47 1.79 -4.63 3.89 4.01 -1.26 -4.88 118.16 123.56 1v6f n LYS 31 Ca 0.16 -1.42 -0.29 0.00 -0.51 0.00 0.00 58.31 56.24 1v6f n LYS 31 Cb 0.43 -1.63 -0.08 0.00 -0.51 0.00 0.00 35.03 33.24 1v6f n LYS 31 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1v6f s GLU 32 N -1.39 2.03 -0.09 1.97 0.41 -1.26 -5.09 118.70 115.29 1v6f s GLU 32 Ca 0.33 -2.26 -0.01 0.00 -0.41 0.00 0.00 54.97 52.62 1v6f s GLU 32 Cb 0.23 -1.09 -0.05 0.00 -1.78 0.00 0.00 34.13 31.44 1v6f s GLU 32 CO -0.04 -0.38 -0.09 2.41 -0.49 0.00 0.00 175.26 176.67 1v6f n THR 33 N -1.06 0.48 -0.35 3.63 -1.04 -1.26 -5.05 114.28 109.64 1v6f n THR 33 Ca -0.11 -0.17 -0.24 0.00 -2.04 0.00 0.00 64.05 61.49 1v6f n THR 33 Cb 0.66 -1.02 0.23 0.00 -1.82 0.00 0.00 70.33 68.38 1v6f n THR 33 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1v6f n HIS 34 N -2.93 -3.21 -2.40 -1.42 1.44 -1.26 -5.02 115.22 100.43 1v6f n HIS 34 Ca -0.16 -0.47 -0.23 0.00 -2.01 0.00 0.00 57.72 54.86 1v6f n HIS 34 Cb 0.65 -1.36 0.13 0.00 0.12 0.00 0.00 29.99 29.53 1v6f n HIS 34 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1v6f n ASN 35 N -3.84 0.95 -3.48 4.39 4.13 -1.26 -4.88 115.26 111.28 1v6f n ASN 35 Ca 0.11 -1.89 -0.10 0.00 1.68 0.00 0.00 54.58 54.38 1v6f n ASN 35 Cb 0.47 -0.68 -0.02 0.00 -1.54 0.00 0.00 39.78 38.01 1v6f n ASN 35 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1v6f s ALA 36 N -3.35 -1.75 -0.23 5.41 0.00 -1.26 -1.43 121.76 119.15 1v6f s ALA 36 Ca 0.63 0.86 -0.09 0.00 0.00 0.00 0.00 51.96 53.36 1v6f s ALA 36 Cb -0.03 0.54 0.09 0.00 0.00 0.00 0.00 23.12 23.72 1v6f s ALA 36 CO 0.42 -0.70 0.51 0.00 0.00 0.00 0.00 175.76 175.99 1v6f s ALA 37 N -3.26 -1.46 -0.17 0.00 0.00 0.14 -3.39 121.76 113.62 1v6f s ALA 37 Ca 0.03 1.84 -0.02 0.00 0.00 0.00 0.00 51.96 53.82 1v6f s ALA 37 Cb -0.01 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 1v6f s ALA 37 CO -0.10 -0.66 -0.10 0.42 0.00 0.00 0.00 175.76 175.33 1v6f s ILE 38 N 2.32 3.14 -0.05 0.00 1.01 -1.07 -0.08 121.20 126.48 1v6f s ILE 38 Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1v6f s ILE 38 Cb -0.10 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 1v6f s ILE 38 CO -0.15 0.48 -0.02 -0.63 0.00 0.00 0.00 174.94 174.62 1v6f s ILE 39 N 0.88 4.04 0.25 2.92 1.01 -0.87 -1.22 121.20 128.21 1v6f s ILE 39 Ca -0.02 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.20 1v6f s ILE 39 Cb -0.15 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 1v6f s ILE 39 CO 0.00 0.51 -0.02 -0.04 0.00 0.00 0.00 174.94 175.40 1v6f s MET 40 N -1.13 1.41 0.16 2.79 -1.94 -0.64 0.41 119.30 120.36 1v6f s MET 40 Ca 0.15 -1.72 -0.23 0.00 -1.71 0.00 0.00 55.69 52.19 1v6f s MET 40 Cb -0.11 -0.78 0.07 0.00 2.01 0.00 0.00 34.83 36.02 1v6f s MET 40 CO 0.05 -0.06 0.61 -1.59 -0.01 0.00 0.00 175.02 174.02 1v6f s LYS 41 N -3.83 1.28 0.09 2.03 0.00 -1.14 -3.16 119.74 115.01 1v6f s LYS 41 Ca 0.29 -0.48 0.07 0.00 0.00 0.00 0.00 55.97 55.85 1v6f s LYS 41 Cb 0.05 0.58 -0.04 0.00 0.00 0.00 0.00 37.83 38.43 1v6f s LYS 41 CO 0.10 -0.56 -0.10 0.42 0.00 0.00 0.00 175.35 175.21 1v6f s ILE 42 N -3.73 3.36 0.31 3.79 1.01 -1.26 -2.84 121.20 121.83 1v6f s ILE 42 Ca 0.01 -1.23 0.10 0.00 0.00 0.00 0.00 60.65 59.52 1v6f s ILE 42 Cb -0.01 -2.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.84 1v6f s ILE 42 CO -0.12 0.14 -0.12 -0.62 0.00 0.00 0.00 174.94 174.22 1v6f s ASP 43 N -2.12 3.47 0.57 3.58 2.15 -1.26 -5.07 116.67 117.98 1v6f s ASP 43 Ca 0.21 -1.15 -0.20 0.00 0.43 0.00 0.00 52.55 51.84 1v6f s ASP 43 Cb -0.11 -0.29 -0.05 0.00 -0.30 0.00 0.00 42.92 42.16 1v6f s ASP 43 CO 0.13 -0.17 1.06 1.17 -0.17 0.00 0.00 175.17 177.19 1v6f n LYS 44 N -0.69 1.12 -1.73 4.34 3.00 -1.26 -1.46 118.16 121.48 1v6f n LYS 44 Ca -0.05 0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 1v6f n LYS 44 Cb 0.62 -2.24 0.00 0.00 0.00 0.00 0.00 35.03 33.41 1v6f n LYS 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1v6f n ASP 45 N -0.69 -0.50 -0.07 3.14 8.00 -1.26 -4.66 116.55 120.51 1v6f n ASP 45 Ca 0.13 0.25 -0.14 0.00 0.71 0.00 0.00 54.79 55.73 1v6f n ASP 45 Cb 0.46 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 40.68 1v6f n ASP 45 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1v6f n GLU 46 N -1.72 0.68 -2.62 -1.24 4.07 -0.53 -4.94 120.64 114.34 1v6f n GLU 46 Ca 0.00 0.15 -0.13 0.00 -0.06 0.00 0.00 57.16 57.13 1v6f n GLU 46 Cb 0.25 -1.62 -0.02 0.00 -0.06 0.00 0.00 31.44 29.99 1v6f n GLU 46 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1v6f n ARG 47 N -3.09 -1.73 -3.69 5.31 -4.01 -1.25 -4.81 116.66 103.38 1v6f n ARG 47 Ca -0.33 0.04 -0.10 0.00 -1.04 0.00 0.00 57.85 56.42 1v6f n ARG 47 Cb 1.07 -3.21 -0.11 0.00 -3.04 0.00 0.00 32.46 27.17 1v6f n ARG 47 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 1v6f s LEU 48 N -4.28 -0.10 -0.43 2.89 2.96 -1.26 -2.69 118.68 115.78 1v6f s LEU 48 Ca 0.24 0.89 -0.28 0.00 -0.22 0.00 0.00 54.13 54.76 1v6f s LEU 48 Cb -0.14 1.35 0.03 0.00 0.50 0.00 0.00 46.19 47.92 1v6f s LEU 48 CO 0.30 -0.19 1.08 -0.69 -1.32 0.00 0.00 176.35 175.53 1v6f s VAL 49 N 1.41 4.34 0.12 1.68 1.01 0.86 -4.51 120.40 125.31 1v6f s VAL 49 Ca -0.10 1.29 0.04 0.00 0.00 0.00 0.00 61.98 63.21 1v6f s VAL 49 Cb -0.08 -4.52 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 1v6f s VAL 49 CO -0.13 -0.83 0.12 0.68 0.00 0.00 0.00 175.10 174.95 1v6f s VAL 50 N 4.11 4.63 0.13 2.92 -7.23 -1.13 -1.73 120.40 122.10 1v6f s VAL 50 Ca 0.45 -0.86 -0.31 0.00 -1.81 0.00 0.00 61.98 59.45 1v6f s VAL 50 Cb -0.09 -3.29 -0.10 0.00 0.56 0.00 0.00 36.38 33.45 1v6f s VAL 50 CO 0.26 0.02 1.75 -0.22 -0.31 0.00 0.00 175.10 176.60 1v6f s LEU 51 N -2.73 4.38 -0.18 1.32 1.98 -1.26 -2.90 118.68 119.30 1v6f s LEU 51 Ca 0.31 2.71 -0.22 0.00 -2.89 0.00 0.00 54.13 54.04 1v6f s LEU 51 Cb -0.11 -3.57 -0.22 0.00 0.66 0.00 0.00 46.19 42.94 1v6f s LEU 51 CO 0.23 -0.96 0.38 -0.78 -1.89 0.00 0.00 176.35 173.34 1v6f h ASP 52 N 8.03 0.07 -4.40 3.68 1.82 -0.36 -3.47 116.42 121.79 1v6f h ASP 52 Ca -0.44 -0.67 0.18 0.00 -0.39 0.00 0.00 57.03 55.70 1v6f h ASP 52 Cb 1.21 -0.02 -0.17 0.00 0.68 0.00 0.00 39.33 41.02 1v6f h ASP 52 CO 0.94 1.42 0.66 -1.83 -1.61 0.00 0.00 179.24 178.82 1v6f s GLU 53 N -2.36 0.55 -0.18 0.28 -1.05 -1.06 -4.99 118.70 109.89 1v6f s GLU 53 Ca -0.25 -0.19 0.01 0.00 -0.15 0.00 0.00 54.97 54.39 1v6f s GLU 53 Cb 0.04 0.25 0.02 0.00 -0.44 0.00 0.00 34.13 34.00 1v6f s GLU 53 CO 0.64 -0.24 -0.19 -1.21 0.95 0.00 0.00 175.26 175.22 1v6f s GLU 54 N -2.67 2.89 -0.10 -4.83 2.02 -1.26 -2.05 118.70 112.69 1v6f s GLU 54 Ca 0.07 -0.82 -0.02 0.00 0.02 0.00 0.00 54.97 54.22 1v6f s GLU 54 Cb -0.01 -2.53 -0.03 0.00 0.10 0.00 0.00 34.13 31.66 1v6f s GLU 54 CO -0.06 -0.23 -0.00 -0.51 0.02 0.00 0.00 175.26 174.48 1v6f s LEU 55 N 1.31 3.53 0.21 1.80 1.43 0.88 -4.99 118.68 122.85 1v6f s LEU 55 Ca 0.05 0.10 0.11 0.00 -1.03 0.00 0.00 54.13 53.36 1v6f s LEU 55 Cb -0.13 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 1v6f s LEU 55 CO -0.12 0.34 -0.23 -1.61 0.23 0.00 0.00 176.35 174.96 1v6f s GLU 56 N -0.66 1.53 -0.96 1.70 8.01 -1.26 -0.68 118.70 126.38 1v6f s GLU 56 Ca 0.11 -1.57 -0.28 0.00 0.01 0.00 0.00 54.97 53.23 1v6f s GLU 56 Cb -0.12 -1.78 0.04 0.00 -4.31 0.00 0.00 34.13 27.96 1v6f s GLU 56 CO 0.02 0.37 0.54 0.41 0.01 0.00 0.00 175.26 176.61 1v6f n GLY 57 N 0.08 -0.66 3.82 -1.39 0.00 -0.51 -4.88 105.19 101.64 1v6f n GLY 57 Ca -0.11 0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1v6f n GLY 57 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1v6f n VAL 58 N -4.23 0.00 -4.34 1.61 0.24 -1.26 -4.90 118.33 105.45 1v6f n VAL 58 Ca -0.09 -2.35 -0.18 0.00 -2.04 0.00 0.00 64.34 59.68 1v6f n VAL 58 Cb 0.45 0.23 -0.10 0.00 -1.47 0.00 0.00 33.84 32.95 1v6f n VAL 58 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1v6f s SER 59 N -4.09 2.52 0.30 -1.34 0.01 -1.26 -4.75 113.70 105.09 1v6f s SER 59 Ca 0.16 -1.01 0.25 0.00 1.31 0.00 0.00 55.95 56.66 1v6f s SER 59 Cb -0.01 -0.13 1.04 0.00 0.21 0.00 0.00 66.02 67.13 1v6f s SER 59 CO 0.10 -0.17 1.75 1.55 0.41 0.00 0.00 173.24 176.88 1v6f h PRO 60 N 2.61 0.00 0.00 12.44 0.13 -1.94 0.17 132.00 145.40 1v6f h PRO 60 Ca -0.38 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.65 1v6f h PRO 60 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1v6f h PRO 60 CO 0.62 0.00 -1.66 -0.40 -0.23 0.00 0.00 178.00 176.33 1v6f n ASP 61 N -2.36 0.44 -0.07 1.44 5.75 -1.26 -4.04 116.55 116.45 1v6f n ASP 61 Ca 0.02 0.18 -0.11 0.00 -0.01 0.00 0.00 54.79 54.87 1v6f n ASP 61 Cb 0.24 0.96 -0.15 0.00 -1.03 0.00 0.00 41.12 41.14 1v6f n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1v6f n GLU 62 N -2.61 0.67 0.25 0.11 -0.58 -1.01 -4.40 120.64 113.07 1v6f n GLU 62 Ca -0.09 0.13 -0.16 0.00 -0.42 0.00 0.00 57.16 56.62 1v6f n GLU 62 Cb 0.73 -1.62 -0.08 0.00 -0.57 0.00 0.00 31.44 29.90 1v6f n GLU 62 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1v6f h LEU 63 N 0.01 -0.75 -1.89 -4.62 5.85 -0.86 -1.72 115.31 111.33 1v6f h LEU 63 Ca -0.46 0.05 0.35 0.00 0.84 0.00 0.00 57.88 58.66 1v6f h LEU 63 Cb 2.12 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 43.34 1v6f h LEU 63 CO 0.04 -0.45 0.94 0.07 -0.34 0.00 0.00 178.44 178.70 1v6f h LYS 64 N -0.69 0.00 -0.36 1.25 2.10 -1.78 0.91 116.57 118.00 1v6f h LYS 64 Ca -0.04 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.52 1v6f h LYS 64 Cb 0.59 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.90 1v6f h LYS 64 CO 0.02 0.00 -0.15 0.22 -2.00 0.00 0.00 179.45 177.53 1v6f h ASP 65 N 0.00 0.64 -0.16 7.07 1.82 -1.52 -2.28 116.42 122.00 1v6f h ASP 65 Ca 0.57 -0.20 0.00 0.00 -0.39 0.00 0.00 57.03 57.02 1v6f h ASP 65 Cb 2.45 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 42.29 1v6f h ASP 65 CO -0.01 0.81 0.00 -0.62 -1.61 0.00 0.00 179.24 177.82 1v6f n GLU 66 N -4.16 1.97 -4.31 0.28 -0.58 0.32 -4.83 120.64 109.33 1v6f n GLU 66 Ca 0.01 -0.82 -0.24 0.00 -0.42 0.00 0.00 57.16 55.68 1v6f n GLU 66 Cb 0.37 -1.64 -0.12 0.00 -0.57 0.00 0.00 31.44 29.48 1v6f n GLU 66 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1v6f s LEU 67 N -0.76 2.32 0.42 -4.62 1.43 -0.86 -5.10 118.68 111.51 1v6f s LEU 67 Ca 0.14 -0.72 -0.25 0.00 -1.03 0.00 0.00 54.13 52.27 1v6f s LEU 67 Cb 0.11 -0.92 -0.08 0.00 0.03 0.00 0.00 46.19 45.32 1v6f s LEU 67 CO 0.05 0.06 1.18 -2.16 0.23 0.00 0.00 176.35 175.71 1v6f s PRO 68 N -2.07 3.97 0.00 1.29 0.04 -1.26 -4.95 135.00 132.01 1v6f s PRO 68 Ca 0.09 1.85 0.09 0.00 0.04 0.00 0.00 61.00 63.07 1v6f s PRO 68 Cb -0.09 -2.61 0.25 0.00 0.04 0.00 0.00 34.50 32.08 1v6f s PRO 68 CO 0.05 -0.40 1.19 -0.85 0.04 0.00 0.00 177.00 177.03 1v6f n GLU 69 N -0.07 2.77 -0.00 4.56 0.28 -1.26 -4.53 120.64 122.39 1v6f n GLU 69 Ca 0.05 -1.91 -0.00 0.00 -0.16 0.00 0.00 57.16 55.13 1v6f n GLU 69 Cb 0.47 -1.22 -0.00 0.00 1.43 0.00 0.00 31.44 32.11 1v6f n GLU 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1v6f n ARG 70 N 0.35 3.37 -4.26 3.44 1.74 -1.26 -4.64 116.66 115.40 1v6f n ARG 70 Ca 0.09 -0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.95 1v6f n ARG 70 Cb 0.39 -1.02 -0.12 0.00 -1.02 0.00 0.00 32.46 30.69 1v6f n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1v6f s GLN 71 N -2.02 1.06 0.22 5.56 -0.21 -1.26 -3.57 119.66 119.45 1v6f s GLN 71 Ca -0.00 -1.14 -0.30 0.00 0.02 0.00 0.00 55.36 53.94 1v6f s GLN 71 Cb 0.00 -1.24 -0.09 0.00 1.00 0.00 0.00 33.01 32.68 1v6f s GLN 71 CO 0.03 0.28 1.28 -1.25 -2.12 0.00 0.00 175.29 173.51 1v6f s PRO 72 N -1.98 4.41 0.07 2.91 0.04 -1.26 -4.54 135.00 134.65 1v6f s PRO 72 Ca 0.05 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.15 1v6f s PRO 72 Cb -0.09 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1v6f s PRO 72 CO 0.04 -0.20 -0.06 0.50 0.04 0.00 0.00 177.00 177.33 1v6f s ARG 73 N -0.46 0.67 -0.12 4.56 6.06 -0.17 -5.01 118.95 124.48 1v6f s ARG 73 Ca 0.54 -1.10 -0.09 0.00 -2.50 0.00 0.00 55.73 52.58 1v6f s ARG 73 Cb -0.36 -0.11 -0.04 0.00 0.06 0.00 0.00 34.95 34.49 1v6f s ARG 73 CO 0.40 -0.02 0.19 -0.06 -2.50 0.00 0.00 175.30 173.31 1v6f s PHE 74 N -2.94 3.58 -0.11 5.12 0.08 -1.19 -2.34 117.98 120.19 1v6f s PHE 74 Ca 0.03 0.58 -0.11 0.00 0.12 0.00 0.00 56.93 57.55 1v6f s PHE 74 Cb 0.01 -2.05 0.03 0.00 -0.57 0.00 0.00 43.02 40.43 1v6f s PHE 74 CO -0.04 0.63 0.31 0.42 -0.10 0.00 0.00 175.22 176.43 1v6f s ILE 75 N -0.74 0.01 -0.33 0.64 1.09 -1.20 -1.63 121.20 119.04 1v6f s ILE 75 Ca 0.15 -0.05 0.01 0.00 -1.10 0.00 0.00 60.65 59.67 1v6f s ILE 75 Cb -0.13 -0.45 0.10 0.00 -1.06 0.00 0.00 42.46 40.92 1v6f s ILE 75 CO 0.05 -0.03 0.08 -0.69 -0.10 0.00 0.00 174.94 174.25 1v6f s VAL 76 N 0.03 1.47 0.21 2.92 1.01 -0.35 -1.71 120.40 123.98 1v6f s VAL 76 Ca -0.01 -1.82 0.05 0.00 0.00 0.00 0.00 61.98 60.20 1v6f s VAL 76 Cb -0.02 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1v6f s VAL 76 CO 0.01 -0.65 0.24 -0.47 0.00 0.00 0.00 175.10 174.23 1v6f s TYR 77 N 1.30 3.28 -0.38 5.22 5.04 -1.22 -2.61 117.35 127.98 1v6f s TYR 77 Ca 0.10 -0.02 0.01 0.00 -2.44 0.00 0.00 57.07 54.72 1v6f s TYR 77 Cb -0.18 -1.52 0.12 0.00 0.35 0.00 0.00 41.96 40.73 1v6f s TYR 77 CO -0.18 0.50 0.16 0.45 -1.34 0.00 0.00 175.55 175.14 1v6f s SER 78 N -3.59 3.94 1.13 4.32 0.15 -1.22 -2.86 113.70 115.57 1v6f s SER 78 Ca 0.33 -2.20 -0.13 0.00 0.70 0.00 0.00 55.95 54.65 1v6f s SER 78 Cb -0.09 -1.05 0.26 0.00 -1.71 0.00 0.00 66.02 63.43 1v6f s SER 78 CO 0.26 -0.34 1.05 -0.47 1.20 0.00 0.00 173.24 174.94 1v6f s TYR 79 N 0.89 1.51 -0.46 3.44 5.04 -1.25 -4.62 117.35 121.89 1v6f s TYR 79 Ca 0.14 1.02 0.01 0.00 -2.44 0.00 0.00 57.07 55.80 1v6f s TYR 79 Cb -0.21 -3.17 0.12 0.00 0.35 0.00 0.00 41.96 39.06 1v6f s TYR 79 CO -0.10 -3.62 0.22 0.21 -1.34 0.00 0.00 175.55 170.92 1v6f s LYS 80 N -4.71 1.95 -0.70 4.97 2.20 -1.26 -3.66 119.74 118.52 1v6f s LYS 80 Ca 0.67 -2.18 -0.24 0.00 -0.36 0.00 0.00 55.97 53.86 1v6f s LYS 80 Cb -0.22 -3.43 0.05 0.00 -1.51 0.00 0.00 37.83 32.72 1v6f s LYS 80 CO 0.61 -1.06 1.11 -0.47 -0.36 0.00 0.00 175.35 175.18 1v6f s TYR 81 N 0.47 2.51 -0.09 4.03 6.14 0.34 -4.93 117.35 125.81 1v6f s TYR 81 Ca 0.13 -0.35 -0.15 0.00 0.64 0.00 0.00 57.07 57.34 1v6f s TYR 81 Cb -0.22 -4.44 -0.05 0.00 0.42 0.00 0.00 41.96 37.67 1v6f s TYR 81 CO -0.04 -1.84 0.37 -1.14 0.64 0.00 0.00 175.55 173.54 1v6f s GLN 82 N 4.78 4.10 0.10 4.97 2.00 -1.26 -1.57 119.66 132.78 1v6f s GLN 82 Ca 0.28 0.28 -0.02 0.00 -2.00 0.00 0.00 55.36 53.89 1v6f s GLN 82 Cb -0.13 -3.34 -0.05 0.00 0.80 0.00 0.00 33.01 30.30 1v6f s GLN 82 CO 0.12 0.42 0.29 -1.01 -0.50 0.00 0.00 175.29 174.60 1v6f s HIS 83 N -0.14 3.50 0.12 1.67 3.76 0.21 -4.97 115.29 119.44 1v6f s HIS 83 Ca 0.21 0.40 -0.33 0.00 -0.15 0.00 0.00 55.06 55.20 1v6f s HIS 83 Cb -0.15 -1.88 -0.11 0.00 1.11 0.00 0.00 32.58 31.55 1v6f s HIS 83 CO 0.09 0.51 1.56 -0.44 -0.85 0.00 0.00 174.74 175.61 1v6f h ASP 84 N 2.97 -1.71 -0.87 1.40 3.32 -1.99 -0.74 116.42 118.80 1v6f h ASP 84 Ca -0.46 0.21 0.23 0.00 0.02 0.00 0.00 57.03 57.04 1v6f h ASP 84 Cb 1.16 0.68 -0.15 0.00 0.22 0.00 0.00 39.33 41.25 1v6f h ASP 84 CO 0.74 -0.46 0.13 0.44 -1.72 0.00 0.00 179.24 178.37 1v6f h ASP 85 N -0.52 -0.21 0.00 6.45 3.32 -2.05 -3.45 116.42 119.96 1v6f h ASP 85 Ca 0.05 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1v6f h ASP 85 Cb 0.65 0.34 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1v6f h ASP 85 CO -0.48 -0.22 0.00 0.61 -1.72 0.00 0.00 179.24 177.43 1v6f n GLY 86 N -1.42 3.09 3.60 2.75 0.00 -0.28 -5.12 105.19 107.80 1v6f n GLY 86 Ca 0.20 -0.40 -0.50 0.00 0.00 0.00 0.00 46.02 45.31 1v6f n GLY 86 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1v6f n ARG 87 N 0.00 1.27 -3.71 1.61 3.00 -1.26 -4.39 116.66 113.18 1v6f n ARG 87 Ca 0.00 0.45 -0.14 0.00 -0.00 0.00 0.00 57.85 58.16 1v6f n ARG 87 Cb 0.00 -2.06 -0.15 0.00 0.00 0.00 0.00 32.46 30.25 1v6f n ARG 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1v6f s VAL 88 N 0.28 -0.15 0.18 5.15 0.11 -1.26 0.67 120.40 125.38 1v6f s VAL 88 Ca 0.80 0.24 0.07 0.00 -2.93 0.00 0.00 61.98 60.17 1v6f s VAL 88 Cb -0.89 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 1v6f s VAL 88 CO 0.48 0.10 -0.15 -0.94 -3.33 0.00 0.00 175.10 171.26 1v6f s SER 89 N 1.67 2.45 -0.60 3.54 1.04 -0.61 -4.95 113.70 116.26 1v6f s SER 89 Ca -0.04 -0.96 -0.04 0.00 0.48 0.00 0.00 55.95 55.38 1v6f s SER 89 Cb -0.12 -0.12 0.15 0.00 0.10 0.00 0.00 66.02 66.04 1v6f s SER 89 CO -0.06 -0.16 0.42 -0.31 0.98 0.00 0.00 173.24 174.11 1v6f s TYR 90 N -2.73 3.46 -0.07 5.02 2.02 -1.26 -0.50 117.35 123.28 1v6f s TYR 90 Ca 0.19 -2.58 -0.30 0.00 -0.37 0.00 0.00 57.07 54.02 1v6f s TYR 90 Cb -0.02 -3.26 -0.04 0.00 -0.40 0.00 0.00 41.96 38.24 1v6f s TYR 90 CO 0.06 -0.88 1.51 -1.25 -1.57 0.00 0.00 175.55 173.42 1v6f s PRO 91 N 0.22 4.21 -0.10 -1.71 0.04 -1.24 -4.82 135.00 131.60 1v6f s PRO 91 Ca 0.15 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 1v6f s PRO 91 Cb -0.20 -3.86 -0.02 0.00 0.04 0.00 0.00 34.50 30.46 1v6f s PRO 91 CO -0.04 -0.77 1.12 -0.51 0.04 0.00 0.00 177.00 176.84 1v6f s LEU 92 N 3.62 4.24 0.10 -3.56 2.01 -1.26 -3.89 118.68 119.94 1v6f s LEU 92 Ca 0.67 1.65 0.06 0.00 0.01 0.00 0.00 54.13 56.52 1v6f s LEU 92 Cb -0.30 -3.55 -0.03 0.00 0.01 0.00 0.00 46.19 42.31 1v6f s LEU 92 CO 0.25 -0.56 -0.14 0.00 1.01 0.00 0.00 176.35 176.91 1v6f s PHE 94 N -1.76 3.22 -0.55 0.00 2.19 0.12 -3.37 117.98 117.84 1v6f s PHE 94 Ca 0.04 -0.44 -0.17 0.00 0.33 0.00 0.00 56.93 56.69 1v6f s PHE 94 Cb -0.07 -2.65 0.11 0.00 -1.31 0.00 0.00 43.02 39.10 1v6f s PHE 94 CO 0.03 -0.57 0.57 0.42 1.83 0.00 0.00 175.22 177.49 1v6f s ILE 95 N 1.82 5.06 -0.83 3.12 1.01 -0.69 -0.86 121.20 129.82 1v6f s ILE 95 Ca 0.07 -1.21 -0.25 0.00 0.00 0.00 0.00 60.65 59.27 1v6f s ILE 95 Cb -0.18 -4.36 0.05 0.00 0.01 0.00 0.00 42.46 37.97 1v6f s ILE 95 CO 0.11 -0.92 1.28 0.12 0.00 0.00 0.00 174.94 175.53 1v6f s PHE 96 N 2.04 2.48 -0.60 3.97 5.36 0.73 -3.27 117.98 128.69 1v6f s PHE 96 Ca 0.07 -0.47 -0.27 0.00 -0.96 0.00 0.00 56.93 55.30 1v6f s PHE 96 Cb -0.27 -4.58 0.01 0.00 -0.34 0.00 0.00 43.02 37.84 1v6f s PHE 96 CO 0.05 -1.93 1.53 0.45 -1.46 0.00 0.00 175.22 173.86 1v6f s SER 97 N 4.12 5.89 -0.32 6.13 0.15 -0.99 -2.33 113.70 126.36 1v6f s SER 97 Ca 0.37 0.21 0.03 0.00 0.70 0.00 0.00 55.95 57.26 1v6f s SER 97 Cb -0.06 -2.54 0.09 0.00 -1.71 0.00 0.00 66.02 61.80 1v6f s SER 97 CO 0.05 -1.91 0.04 -0.94 1.20 0.00 0.00 173.24 171.67 1v6f s SER 98 N 5.36 4.54 0.09 5.45 1.04 -0.54 -0.99 113.70 128.64 1v6f s SER 98 Ca 0.54 -1.93 -0.31 0.00 0.48 0.00 0.00 55.95 54.73 1v6f s SER 98 Cb -0.11 -1.45 -0.07 0.00 0.10 0.00 0.00 66.02 64.49 1v6f s SER 98 CO 0.22 -0.36 1.37 -2.16 0.98 0.00 0.00 173.24 173.30 1v6f s PRO 99 N 1.09 4.33 0.50 4.02 0.04 -1.22 -3.76 135.00 139.99 1v6f s PRO 99 Ca 0.08 2.03 0.31 0.00 0.04 0.00 0.00 61.00 63.46 1v6f s PRO 99 Cb -0.19 -3.31 1.43 0.00 0.04 0.00 0.00 34.50 32.47 1v6f s PRO 99 CO -0.11 -0.44 1.79 0.28 0.04 0.00 0.00 177.00 178.56 1v6f h VAL 100 N 4.39 0.43 0.00 -0.36 2.07 -0.45 0.42 116.25 122.74 1v6f h VAL 100 Ca -0.41 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1v6f h VAL 100 Cb 1.21 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1v6f h VAL 100 CO 0.86 0.02 0.00 0.61 0.02 0.00 0.00 177.57 179.09 1v6f n GLY 101 N -1.68 1.68 3.93 2.17 0.00 -1.26 -4.84 105.19 105.20 1v6f n GLY 101 Ca 0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 1v6f n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v6f s LYS 103 N -3.65 3.53 -0.02 0.00 -2.85 -1.26 -5.01 119.74 110.48 1v6f s LYS 103 Ca 0.38 -0.22 -0.25 0.00 -1.00 0.00 0.00 55.97 54.89 1v6f s LYS 103 Cb -0.10 -2.66 -0.19 0.00 -2.06 0.00 0.00 37.83 32.82 1v6f s LYS 103 CO 0.31 0.17 1.20 -1.00 0.10 0.00 0.00 175.35 176.13 1v6f h PRO 104 N 1.08 -0.09 -1.66 1.78 0.13 -1.99 -1.83 132.00 129.42 1v6f h PRO 104 Ca -0.49 0.01 0.48 0.00 -0.87 0.00 0.00 66.00 65.13 1v6f h PRO 104 Cb 1.21 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 1v6f h PRO 104 CO 0.63 0.36 1.24 1.49 -0.23 0.00 0.00 178.00 181.49 1v6f h GLU 105 N -0.59 0.00 0.02 0.86 4.57 -2.01 0.18 114.58 117.62 1v6f h GLU 105 Ca -0.01 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.88 1v6f h GLU 105 Cb 0.50 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.05 1v6f h GLU 105 CO 0.02 0.00 -1.60 1.04 -1.18 0.00 0.00 179.01 177.29 1v6f n GLN 106 N -3.94 0.61 -0.41 1.92 1.13 -1.18 -3.94 117.38 111.56 1v6f n GLN 106 Ca 0.37 0.47 0.34 0.00 -1.94 0.00 0.00 57.00 56.23 1v6f n GLN 106 Cb 1.75 -1.70 0.63 0.00 0.11 0.00 0.00 30.24 31.02 1v6f n GLN 106 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1v6f h GLN 107 N -0.77 0.16 -0.24 -1.09 1.08 0.21 0.73 115.11 115.19 1v6f h GLN 107 Ca -0.42 -0.01 -0.16 0.00 -1.45 0.00 0.00 58.65 56.62 1v6f h GLN 107 Cb 1.50 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.90 1v6f h GLN 107 CO -0.18 0.10 -0.47 0.52 -0.95 0.00 0.00 178.83 177.86 1v6f h MET 108 N 0.16 0.74 -0.31 1.46 2.86 -1.49 0.54 114.93 118.89 1v6f h MET 108 Ca 0.75 -0.48 -0.01 0.00 -2.06 0.00 0.00 59.70 57.90 1v6f h MET 108 Cb 2.31 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 34.01 1v6f h MET 108 CO -0.34 1.10 0.17 1.98 1.06 0.00 0.00 176.91 180.88 1v6f h MET 109 N 0.48 0.44 0.07 1.72 1.85 0.30 -2.42 114.93 117.36 1v6f h MET 109 Ca 0.01 -0.05 -0.19 0.00 -0.61 0.00 0.00 59.70 58.86 1v6f h MET 109 Cb 1.07 -0.08 0.02 0.00 0.43 0.00 0.00 31.60 33.04 1v6f h MET 109 CO 0.10 0.38 -0.77 1.88 -0.40 0.00 0.00 176.91 178.10 1v6f h TYR 110 N 0.38 0.64 0.00 1.39 0.05 -1.24 -3.06 116.97 115.13 1v6f h TYR 110 Ca 0.11 -0.40 0.00 0.00 0.05 0.00 0.00 58.73 58.49 1v6f h TYR 110 Cb 0.07 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.76 1v6f h TYR 110 CO -0.03 1.25 0.00 0.00 -1.05 0.00 0.00 178.16 178.34 1v6f n ALA 111 N -2.63 -0.19 0.08 3.88 0.00 0.19 0.33 120.51 122.17 1v6f n ALA 111 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 1v6f n ALA 111 Cb 0.77 0.30 -0.07 0.00 0.00 0.00 0.00 19.45 20.45 1v6f n ALA 111 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1v6f h GLY 112 N 0.00 -0.82 -0.19 0.00 0.00 -1.61 -1.51 103.07 98.95 1v6f h GLY 112 Ca 0.00 0.52 0.25 0.00 0.00 0.00 0.00 47.33 48.10 1v6f h GLY 112 CO 0.00 -0.25 0.57 1.76 0.00 0.00 0.00 176.54 178.61 1v6f h SER 113 N -0.61 0.62 -0.01 0.19 0.02 -1.42 -1.18 113.55 111.16 1v6f h SER 113 Ca 0.04 0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1v6f h SER 113 Cb 0.67 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 1v6f h SER 113 CO -0.30 0.07 -0.43 0.50 -1.14 0.00 0.00 176.83 175.53 1v6f h LYS 114 N 0.53 -0.56 -0.62 3.45 3.64 0.96 -2.68 116.57 121.30 1v6f h LYS 114 Ca 0.64 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 60.12 1v6f h LYS 114 Cb 1.25 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 33.13 1v6f h LYS 114 CO -0.50 -0.37 -0.37 -1.71 -2.27 0.00 0.00 179.45 174.23 1v6f n ASN 115 N -5.45 -0.66 -0.21 4.20 2.85 -0.45 0.10 115.26 115.65 1v6f n ASN 115 Ca -0.06 1.22 0.01 0.00 -0.11 0.00 0.00 54.58 55.64 1v6f n ASN 115 Cb 0.37 -0.20 0.10 0.00 1.24 0.00 0.00 39.78 41.29 1v6f n ASN 115 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1v6f h LYS 116 N 0.00 0.09 -0.26 1.20 3.64 -1.55 -1.21 116.57 118.48 1v6f h LYS 116 Ca 0.10 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1v6f h LYS 116 Cb 0.26 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.99 1v6f h LYS 116 CO -0.59 0.06 -0.20 -0.07 -2.27 0.00 0.00 179.45 176.38 1v6f h LEU 117 N 0.09 -0.65 -1.73 5.20 3.38 0.93 0.25 115.31 122.79 1v6f h LEU 117 Ca 0.32 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.47 1v6f h LEU 117 Cb 0.53 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1v6f h LEU 117 CO -0.56 -0.24 0.48 0.58 0.09 0.00 0.00 178.44 178.80 1v6f h VAL 118 N -0.19 0.11 0.07 1.22 2.07 0.04 0.29 116.25 119.86 1v6f h VAL 118 Ca 0.14 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.32 1v6f h VAL 118 Cb 0.41 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1v6f h VAL 118 CO -0.37 0.00 -1.95 0.00 0.02 0.00 0.00 177.57 175.26 1v6f n GLN 119 N -3.10 0.71 -0.07 1.57 1.13 0.72 -1.12 117.38 117.21 1v6f n GLN 119 Ca 0.02 0.25 -0.12 0.00 -1.94 0.00 0.00 57.00 55.21 1v6f n GLN 119 Cb 0.58 -1.72 -0.06 0.00 0.11 0.00 0.00 30.24 29.15 1v6f n GLN 119 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1v6f h THR 120 N 0.04 1.31 -0.00 5.09 2.02 0.11 -2.85 112.91 118.63 1v6f h THR 120 Ca -0.39 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.58 1v6f h THR 120 Cb 2.03 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 70.12 1v6f h THR 120 CO 0.07 0.36 -0.01 0.00 0.37 0.00 0.00 175.52 176.32 1v6f n ALA 121 N -2.41 2.58 -3.52 6.16 0.00 0.04 -4.78 120.51 118.58 1v6f n ALA 121 Ca -0.05 -0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.02 1v6f n ALA 121 Cb 0.34 -1.49 0.06 0.00 0.00 0.00 0.00 19.45 18.35 1v6f n ALA 121 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1v6f n GLU 122 N -1.15 -4.26 -3.78 0.00 1.02 -1.08 -4.86 120.64 106.53 1v6f n GLU 122 Ca 0.18 0.72 -0.36 0.00 -0.02 0.00 0.00 57.16 57.68 1v6f n GLU 122 Cb 0.19 -5.38 -0.10 0.00 -0.02 0.00 0.00 31.44 26.14 1v6f n GLU 122 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1v6f s LEU 123 N -6.27 3.97 -0.14 -4.62 1.43 -0.28 -4.99 118.68 107.79 1v6f s LEU 123 Ca 0.17 0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.21 1v6f s LEU 123 Cb -0.04 -2.04 -0.25 0.00 0.03 0.00 0.00 46.19 43.89 1v6f s LEU 123 CO 0.78 0.10 0.41 0.71 0.23 0.00 0.00 176.35 178.59 1v6f h THR 124 N 4.98 0.90 -3.38 5.49 1.35 -1.85 -3.45 112.91 116.95 1v6f h THR 124 Ca -0.38 -2.32 -0.58 0.00 -0.55 0.00 0.00 66.41 62.58 1v6f h THR 124 Cb 1.17 2.53 -0.08 0.00 -1.73 0.00 0.00 68.15 70.04 1v6f h THR 124 CO 0.68 0.65 -0.02 -0.54 -0.25 0.00 0.00 175.52 176.04 1v6f s LYS 125 N -2.46 4.30 -0.12 4.72 3.01 -1.26 -5.03 119.74 122.90 1v6f s LYS 125 Ca -0.23 0.56 -0.01 0.00 -1.01 0.00 0.00 55.97 55.28 1v6f s LYS 125 Cb 0.05 -3.50 0.03 0.00 -1.01 0.00 0.00 37.83 33.41 1v6f s LYS 125 CO 0.72 -0.01 -0.04 0.08 0.51 0.00 0.00 175.35 176.61 1v6f s VAL 126 N 1.15 0.81 0.04 3.17 1.01 -1.26 -0.70 120.40 124.61 1v6f s VAL 126 Ca 0.28 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1v6f s VAL 126 Cb -0.16 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1v6f s VAL 126 CO 0.12 0.24 -0.24 -0.36 0.00 0.00 0.00 175.10 174.86 1v6f s PHE 127 N 1.78 2.07 -0.09 5.22 0.08 -0.04 -4.96 117.98 122.04 1v6f s PHE 127 Ca 0.04 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.73 1v6f s PHE 127 Cb -0.13 -1.25 0.01 0.00 -0.57 0.00 0.00 43.02 41.07 1v6f s PHE 127 CO -0.07 0.09 -0.19 -2.00 -0.10 0.00 0.00 175.22 172.95 1v6f s GLU 128 N -1.11 2.48 -0.15 0.44 2.12 -1.26 -0.19 118.70 121.02 1v6f s GLU 128 Ca 0.10 -0.68 -0.05 0.00 0.36 0.00 0.00 54.97 54.70 1v6f s GLU 128 Cb -0.09 -1.93 -0.03 0.00 0.26 0.00 0.00 34.13 32.34 1v6f s GLU 128 CO 0.02 0.12 0.00 0.96 -0.54 0.00 0.00 175.26 175.81 1v6f s ILE 129 N 0.47 4.27 0.30 -3.70 -4.36 -0.98 -4.96 121.20 112.23 1v6f s ILE 129 Ca -0.17 -0.23 0.28 0.00 -0.26 0.00 0.00 60.65 60.27 1v6f s ILE 129 Cb -0.17 -2.87 0.29 0.00 1.25 0.00 0.00 42.46 40.96 1v6f s ILE 129 CO 0.07 0.50 1.99 0.08 0.24 0.00 0.00 174.94 177.82 1v6f h ARG 130 N 6.40 0.00 -3.15 0.37 0.11 -1.89 -1.44 114.38 114.79 1v6f h ARG 130 Ca -0.37 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.49 1v6f h ARG 130 Cb 1.18 0.00 -0.31 0.00 1.11 0.00 0.00 29.97 31.96 1v6f h ARG 130 CO 0.64 0.14 -0.55 0.54 0.10 0.00 0.00 179.97 180.84 1v6f s ASN 131 N -6.07 -0.18 0.47 0.08 2.20 -1.25 0.30 114.94 110.49 1v6f s ASN 131 Ca -0.01 0.40 0.31 0.00 -0.94 0.00 0.00 52.86 52.62 1v6f s ASN 131 Cb 0.12 0.29 1.41 0.00 -2.00 0.00 0.00 41.25 41.06 1v6f s ASN 131 CO 0.59 -0.15 1.70 0.71 -2.94 0.00 0.00 177.10 177.01 1v6f h THR 132 N 5.95 0.29 -0.90 0.54 1.35 -1.85 0.59 112.91 118.88 1v6f h THR 132 Ca -0.42 -0.05 0.04 0.00 -0.55 0.00 0.00 66.41 65.43 1v6f h THR 132 Cb 1.15 0.14 -0.05 0.00 -1.73 0.00 0.00 68.15 67.65 1v6f h THR 132 CO 0.40 0.03 0.58 -0.33 -0.25 0.00 0.00 175.52 175.95 1v6f h GLU 133 N 0.14 1.09 -0.84 4.72 5.08 -1.95 -2.32 114.58 120.50 1v6f h GLU 133 Ca 0.71 -0.07 0.21 0.00 -1.00 0.00 0.00 59.36 59.21 1v6f h GLU 133 Cb 2.35 -0.24 -0.13 0.00 0.50 0.00 0.00 28.75 31.22 1v6f h GLU 133 CO -0.23 0.72 0.23 0.22 -1.00 0.00 0.00 179.01 178.95 1v6f h ASP 134 N 1.12 0.04 -1.03 1.42 3.58 -0.21 -3.37 116.42 117.96 1v6f h ASP 134 Ca 0.36 0.18 -0.45 0.00 0.42 0.00 0.00 57.03 57.54 1v6f h ASP 134 Cb 0.03 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 1v6f h ASP 134 CO -0.13 -0.10 1.60 -0.11 -2.88 0.00 0.00 179.24 177.63 1v6f n LEU 135 N -5.18 1.60 -3.97 2.28 7.94 -0.87 -4.67 117.00 114.13 1v6f n LEU 135 Ca 0.19 -0.36 -0.09 0.00 -1.11 0.00 0.00 56.01 54.64 1v6f n LEU 135 Cb 0.60 -1.37 -0.10 0.00 0.53 0.00 0.00 43.42 43.08 1v6f n LEU 135 CO 0.09 -1.38 -0.28 0.42 -1.11 0.00 0.00 177.39 175.13 1v6f s THR 136 N 11.16 0.14 0.29 1.96 -4.23 -1.26 -4.40 115.64 119.30 1v6f s THR 136 Ca 1.10 -1.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.44 1v6f s THR 136 Cb -0.51 -0.80 0.43 0.00 1.34 0.00 0.00 72.50 72.96 1v6f s THR 136 CO 0.33 -0.63 1.57 -0.08 -0.54 0.00 0.00 174.62 175.27 1v6f h GLU 137 N 3.88 0.01 0.72 3.99 4.81 -1.90 0.22 114.58 126.31 1v6f h GLU 137 Ca -0.33 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.87 1v6f h GLU 137 Cb 1.18 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.57 1v6f h GLU 137 CO 0.50 0.00 -0.35 1.49 -0.73 0.00 0.00 179.01 179.93 1v6f h GLU 138 N 0.01 -0.93 -0.88 1.92 4.81 -1.96 -2.67 114.58 114.88 1v6f h GLU 138 Ca 0.54 0.06 0.20 0.00 -0.13 0.00 0.00 59.36 60.04 1v6f h GLU 138 Cb 1.01 0.21 -0.12 0.00 0.63 0.00 0.00 28.75 30.49 1v6f h GLU 138 CO -0.95 -0.60 0.39 2.35 -0.73 0.00 0.00 179.01 179.47 1v6f h TRP 139 N -1.08 0.66 0.35 0.92 7.01 -1.23 -0.88 115.95 121.72 1v6f h TRP 139 Ca -0.10 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.93 1v6f h TRP 139 Cb 0.76 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 1v6f h TRP 139 CO -0.01 0.01 -0.38 1.25 -2.79 0.00 0.00 178.44 176.52 1v6f h LEU 140 N 0.45 -1.06 -2.09 0.65 5.85 -0.54 -1.37 115.31 117.21 1v6f h LEU 140 Ca 0.53 0.09 0.09 0.00 0.84 0.00 0.00 57.88 59.43 1v6f h LEU 140 Cb 0.94 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1v6f h LEU 140 CO -0.49 -0.49 0.32 0.03 -0.34 0.00 0.00 178.44 177.47 1v6f h ARG 141 N -0.74 0.00 -0.20 1.25 3.08 -1.05 -1.10 114.38 115.63 1v6f h ARG 141 Ca -0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1v6f h ARG 141 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1v6f h ARG 141 CO -0.06 0.00 0.06 1.49 -1.07 0.00 0.00 179.97 180.39 1v6f h GLU 142 N 0.00 0.31 -0.54 0.04 4.57 -0.09 0.38 114.58 119.24 1v6f h GLU 142 Ca 0.15 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1v6f h GLU 142 Cb 0.79 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.32 1v6f h GLU 142 CO -0.00 0.40 0.24 0.87 -1.18 0.00 0.00 179.01 179.34 1v6f h LYS 143 N 0.15 0.79 -0.24 1.92 1.79 -0.59 -2.71 116.57 117.68 1v6f h LYS 143 Ca 0.06 -0.13 -0.15 0.00 -2.18 0.00 0.00 60.65 58.26 1v6f h LYS 143 Cb 0.22 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1v6f h LYS 143 CO -0.00 0.67 -0.45 -0.07 -1.08 0.00 0.00 179.45 178.52 1v6f h LEU 144 N 0.73 0.65 0.00 2.94 3.38 -1.39 -2.76 115.31 118.87 1v6f h LEU 144 Ca 0.18 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1v6f h LEU 144 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1v6f h LEU 144 CO -0.02 1.01 0.00 0.61 0.09 0.00 0.00 178.44 180.13 1v6f n GLY 145 N 0.09 -2.99 1.61 0.83 0.00 0.13 -3.27 105.19 101.59 1v6f n GLY 145 Ca -0.02 0.05 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 1v6f n GLY 145 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v6f n SER 146 N -0.57 5.58 0.00 1.61 3.41 -1.05 -4.80 113.62 117.81 1v6f n SER 146 Ca 0.00 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 1v6f n SER 146 Cb 0.00 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 1v6f n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v6f n GLY 147 N 1.30 -0.60 3.77 5.00 0.00 -1.04 -4.97 105.19 108.65 1v6f n GLY 147 Ca 0.08 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1v6f n GLY 147 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v6f s PRO 148 N 0.00 3.22 -0.65 1.61 0.04 -1.26 -4.85 135.00 133.11 1v6f s PRO 148 Ca 0.00 1.55 -0.32 0.00 0.04 0.00 0.00 61.00 62.28 1v6f s PRO 148 Cb 0.00 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.40 1v6f s PRO 148 CO 0.00 -0.94 2.45 0.43 0.04 0.00 0.00 177.00 178.97 1v6f n SER 149 N -1.58 1.34 -4.51 6.66 7.64 -1.26 -4.84 113.62 117.07 1v6f n SER 149 Ca 0.11 0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.67 1v6f n SER 149 Cb 0.51 -1.18 -0.03 0.00 -1.01 0.00 0.00 64.21 62.49 1v6f n SER 149 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1v6f s SER 150 N 9.19 6.18 0.00 6.43 0.01 -1.26 -5.28 113.70 128.96 1v6f s SER 150 Ca 1.18 -0.68 0.12 0.00 1.31 0.00 0.00 55.95 57.87 1v6f s SER 150 Cb -0.89 -2.49 0.09 0.00 0.21 0.00 0.00 66.02 62.94 1v6f s SER 150 CO 0.44 -1.64 0.87 0.61 0.41 0.00 0.00 173.24 173.94