#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 0.87 0.06 1.61 0.01 -1.26 -5.16 113.70 109.83 1v6f s SER 2 Ca 0.00 -0.84 0.08 0.00 1.31 0.00 0.00 55.95 56.50 1v6f s SER 2 Cb 0.00 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.30 1v6f s SER 2 CO 0.00 -0.41 -0.23 -0.55 0.41 0.00 0.00 173.24 172.47 1v6f s SER 3 N -2.50 2.71 0.00 2.44 0.15 -1.26 -5.00 113.70 110.24 1v6f s SER 3 Ca 0.03 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1v6f s SER 3 Cb 0.00 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1v6f s SER 3 CO -0.04 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1v6f n GLY 4 N 1.61 0.09 3.55 9.45 0.00 -1.26 -5.05 105.19 113.59 1v6f n GLY 4 Ca -0.18 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1v6f n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v6f s SER 5 N -1.99 6.10 -0.30 1.61 0.01 -1.26 -4.89 113.70 112.98 1v6f s SER 5 Ca 0.00 -0.60 -0.05 0.00 1.31 0.00 0.00 55.95 56.61 1v6f s SER 5 Cb 0.00 -2.56 0.18 0.00 0.21 0.00 0.00 66.02 63.85 1v6f s SER 5 CO 0.00 -1.86 0.69 -0.55 0.41 0.00 0.00 173.24 171.94 1v6f s SER 6 N 4.64 -1.18 0.00 2.44 0.15 -1.26 -5.06 113.70 113.44 1v6f s SER 6 Ca 0.42 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1v6f s SER 6 Cb -0.07 2.04 0.00 0.00 -1.71 0.00 0.00 66.02 66.28 1v6f s SER 6 CO 0.09 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1v6f n GLY 7 N 5.42 -1.40 3.59 9.45 0.00 -1.26 -5.17 105.19 115.82 1v6f n GLY 7 Ca -0.04 0.56 -0.15 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 -0.71 -0.72 1.61 0.01 -1.26 -5.11 113.70 107.51 1v6f s SER 8 Ca 0.00 1.27 -0.12 0.00 1.31 0.00 0.00 55.95 58.41 1v6f s SER 8 Cb 0.00 1.25 0.19 0.00 0.21 0.00 0.00 66.02 67.67 1v6f s SER 8 CO 0.00 -0.32 0.63 -1.61 0.41 0.00 0.00 173.24 172.36 1v6f s GLU 9 N 0.06 3.22 -0.59 12.44 2.02 -1.26 -4.96 118.70 129.63 1v6f s GLU 9 Ca -0.02 -2.33 0.05 0.00 0.02 0.00 0.00 54.97 52.68 1v6f s GLU 9 Cb -0.04 -4.23 0.18 0.00 0.10 0.00 0.00 34.13 30.14 1v6f s GLU 9 CO 0.03 -1.26 0.47 0.43 0.02 0.00 0.00 175.26 174.94 1v6f n SER 10 N 4.10 1.80 -4.77 -0.19 7.64 -1.26 -5.10 113.62 115.83 1v6f n SER 10 Ca 0.07 -2.93 -0.39 0.00 1.01 0.00 0.00 58.87 56.64 1v6f n SER 10 Cb 0.44 -0.68 -0.01 0.00 -1.01 0.00 0.00 64.21 62.95 1v6f n SER 10 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1v6f s LEU 11 N -1.04 4.18 -0.39 -3.43 1.43 -1.26 -4.95 118.68 113.22 1v6f s LEU 11 Ca 0.29 2.45 0.04 0.00 -1.03 0.00 0.00 54.13 55.88 1v6f s LEU 11 Cb 0.01 -4.01 0.11 0.00 0.03 0.00 0.00 46.19 42.33 1v6f s LEU 11 CO -0.17 -0.77 0.12 -0.69 0.23 0.00 0.00 176.35 175.07 1v6f s VAL 12 N -1.37 2.21 0.13 -1.59 1.01 -1.25 -5.03 120.40 114.52 1v6f s VAL 12 Ca 0.58 -2.54 -0.02 0.00 0.00 0.00 0.00 61.98 60.00 1v6f s VAL 12 Cb -0.33 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1v6f s VAL 12 CO 0.42 -0.67 0.32 0.54 0.00 0.00 0.00 175.10 175.71 1v6f s VAL 13 N 0.62 5.25 0.28 2.92 0.11 -1.26 -4.01 120.40 124.31 1v6f s VAL 13 Ca 0.13 -0.24 0.05 0.00 -2.93 0.00 0.00 61.98 58.99 1v6f s VAL 13 Cb -0.21 -3.66 -0.02 0.00 -1.53 0.00 0.00 36.38 30.96 1v6f s VAL 13 CO -0.07 0.01 0.20 0.00 -3.33 0.00 0.00 175.10 171.91 1v6f s ASP 15 N -2.92 4.37 -0.20 0.00 1.11 -1.26 -4.88 116.67 112.90 1v6f s ASP 15 Ca 0.28 -1.20 -0.09 0.00 0.18 0.00 0.00 52.55 51.72 1v6f s ASP 15 Cb 0.01 -0.23 -0.05 0.00 1.07 0.00 0.00 42.92 43.73 1v6f s ASP 15 CO 0.20 -0.65 0.11 0.68 1.18 0.00 0.00 175.17 176.68 1v6f s VAL 16 N -2.67 5.13 0.28 -1.27 -7.23 -1.26 -0.70 120.40 112.69 1v6f s VAL 16 Ca 0.35 0.09 -0.29 0.00 -1.81 0.00 0.00 61.98 60.32 1v6f s VAL 16 Cb 0.03 -3.34 -0.10 0.00 0.56 0.00 0.00 36.38 33.53 1v6f s VAL 16 CO 0.20 0.43 1.33 0.00 -0.31 0.00 0.00 175.10 176.75 1v6f s ALA 17 N 0.49 3.53 0.25 1.32 0.00 0.11 -4.83 121.76 122.64 1v6f s ALA 17 Ca 0.06 1.23 -0.02 0.00 0.00 0.00 0.00 51.96 53.23 1v6f s ALA 17 Cb -0.12 -3.49 0.49 0.00 0.00 0.00 0.00 23.12 20.00 1v6f s ALA 17 CO -0.00 -0.63 1.76 1.05 0.00 0.00 0.00 175.76 177.94 1v6f h GLU 18 N 4.21 0.57 -0.03 0.00 4.11 -1.98 0.38 114.58 121.84 1v6f h GLU 18 Ca -0.47 -0.03 0.01 0.00 0.07 0.00 0.00 59.36 58.93 1v6f h GLU 18 Cb 1.22 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1v6f h GLU 18 CO 0.71 0.38 0.05 -0.44 0.07 0.00 0.00 179.01 179.77 1v6f h ASP 19 N 0.59 0.00 0.00 3.06 3.32 -1.95 -2.42 116.42 119.02 1v6f h ASP 19 Ca 0.44 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.41 1v6f h ASP 19 Cb 0.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1v6f h ASP 19 CO -0.36 0.00 -0.63 0.25 -1.72 0.00 0.00 179.24 176.78 1v6f h LEU 20 N 0.00 0.00 -0.74 1.55 6.46 -0.64 -3.38 115.31 118.56 1v6f h LEU 20 Ca 0.01 -0.30 0.13 0.00 -0.12 0.00 0.00 57.88 57.61 1v6f h LEU 20 Cb 0.11 0.00 -0.13 0.00 -0.73 0.00 0.00 40.66 39.90 1v6f h LEU 20 CO -0.00 1.00 -0.31 0.58 -0.62 0.00 0.00 178.44 179.09 1v6f h VAL 21 N -1.00 0.14 -0.98 1.05 2.07 -0.94 0.16 116.25 116.76 1v6f h VAL 21 Ca -0.12 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.67 1v6f h VAL 21 Cb 0.77 0.14 -0.18 0.00 -1.52 0.00 0.00 31.29 30.50 1v6f h VAL 21 CO -0.07 0.00 0.05 1.05 0.02 0.00 0.00 177.57 178.61 1v6f h GLU 22 N -0.08 0.01 0.59 1.57 4.11 -1.63 0.18 114.58 119.32 1v6f h GLU 22 Ca 0.30 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.70 1v6f h GLU 22 Cb 0.57 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1v6f h GLU 22 CO -0.79 0.01 -0.28 0.87 0.07 0.00 0.00 179.01 178.89 1v6f h LYS 23 N 0.01 -0.76 -0.86 1.06 1.57 -0.85 -2.67 116.57 114.07 1v6f h LYS 23 Ca 0.61 0.05 0.19 0.00 -1.87 0.00 0.00 60.65 59.62 1v6f h LYS 23 Cb 1.26 0.17 -0.11 0.00 0.08 0.00 0.00 32.23 33.63 1v6f h LYS 23 CO -0.91 -0.48 0.39 -0.07 -0.57 0.00 0.00 179.45 177.81 1v6f h LEU 24 N -0.86 0.38 -0.54 2.94 3.38 -0.50 0.52 115.31 120.63 1v6f h LEU 24 Ca -0.08 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1v6f h LEU 24 Cb 0.63 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 1v6f h LEU 24 CO 0.13 0.08 0.24 0.03 0.09 0.00 0.00 178.44 179.01 1v6f h ARG 25 N 0.47 0.44 -0.45 1.13 3.08 -0.80 -1.98 114.38 116.28 1v6f h ARG 25 Ca 0.51 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.42 1v6f h ARG 25 Cb 0.88 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 1v6f h ARG 25 CO -0.46 0.29 -0.17 0.87 -1.07 0.00 0.00 179.97 179.43 1v6f h LYS 26 N 0.46 0.87 -0.57 0.04 1.79 -0.63 -2.97 116.57 115.55 1v6f h LYS 26 Ca 0.25 -0.33 0.10 0.00 -2.18 0.00 0.00 60.65 58.49 1v6f h LYS 26 Cb 0.22 -0.05 -0.11 0.00 -1.58 0.00 0.00 32.23 30.71 1v6f h LYS 26 CO -0.21 0.97 -0.32 0.35 -1.08 0.00 0.00 179.45 179.16 1v6f h PHE 27 N 0.77 -0.87 -0.24 -1.35 3.04 -0.31 1.86 116.94 119.83 1v6f h PHE 27 Ca 0.11 0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 1v6f h PHE 27 Cb 0.70 0.47 -0.01 0.00 2.56 0.00 0.00 35.95 39.66 1v6f h PHE 27 CO 0.04 -0.37 0.09 0.00 -2.02 0.00 0.00 178.31 176.05 1v6f h ARG 28 N -0.16 0.36 -0.96 1.11 2.47 -1.50 -2.59 114.38 113.11 1v6f h ARG 28 Ca 0.23 -0.07 -0.28 0.00 -1.26 0.00 0.00 59.98 58.60 1v6f h ARG 28 Cb 0.54 -0.06 -0.17 0.00 -1.65 0.00 0.00 29.97 28.64 1v6f h ARG 28 CO -0.66 0.41 0.36 1.19 0.56 0.00 0.00 179.97 181.83 1v6f n PHE 29 N -4.78 1.87 -1.93 3.04 3.72 -0.41 -4.95 117.46 114.02 1v6f n PHE 29 Ca -0.03 -1.23 -0.42 0.00 -0.05 0.00 0.00 57.45 55.72 1v6f n PHE 29 Cb 0.13 -0.65 -0.03 0.00 -0.94 0.00 0.00 39.48 38.00 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 -2.10 4.20 0.00 -1.08 1.70 0.62 -4.88 118.95 117.41 1v6f s ARG 30 Ca 0.36 2.34 0.28 0.00 -0.47 0.00 0.00 55.73 58.24 1v6f s ARG 30 Cb 0.30 -3.53 1.15 0.00 -0.57 0.00 0.00 34.95 32.29 1v6f s ARG 30 CO 0.07 -0.72 1.81 1.17 -1.08 0.00 0.00 175.30 176.56 1v6f n LYS 31 N 5.36 0.68 -1.36 3.89 3.00 -1.26 -4.89 118.16 123.57 1v6f n LYS 31 Ca 0.16 -0.26 -0.29 0.00 -0.00 0.00 0.00 58.31 57.91 1v6f n LYS 31 Cb 0.40 -1.49 0.14 0.00 0.00 0.00 0.00 35.03 34.08 1v6f n LYS 31 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1v6f s GLU 32 N -2.50 1.11 -0.13 1.64 0.41 -1.26 -5.02 118.70 112.96 1v6f s GLU 32 Ca 0.27 0.52 0.02 0.00 -0.41 0.00 0.00 54.97 55.38 1v6f s GLU 32 Cb 0.20 -1.82 -0.09 0.00 -1.78 0.00 0.00 34.13 30.64 1v6f s GLU 32 CO 0.49 -2.27 -0.10 2.41 -0.49 0.00 0.00 175.26 175.30 1v6f n THR 33 N -3.86 0.74 -0.74 3.63 -1.04 -1.26 -5.03 114.28 106.71 1v6f n THR 33 Ca 0.06 -0.30 -0.29 0.00 -2.04 0.00 0.00 64.05 61.48 1v6f n THR 33 Cb 0.57 -0.93 0.24 0.00 -1.82 0.00 0.00 70.33 68.39 1v6f n THR 33 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1v6f s HIS 34 N -2.26 0.89 1.03 -1.42 -3.43 -1.26 -5.03 115.29 103.81 1v6f s HIS 34 Ca -0.16 0.85 -0.17 0.00 -0.80 0.00 0.00 55.06 54.77 1v6f s HIS 34 Cb 0.04 -3.15 0.24 0.00 -1.43 0.00 0.00 32.58 28.28 1v6f s HIS 34 CO 0.31 -3.96 1.31 -0.80 -2.00 0.00 0.00 174.74 169.60 1v6f s ASN 35 N -3.13 2.48 0.10 7.38 -0.87 -1.26 -4.81 114.94 114.82 1v6f s ASN 35 Ca 0.68 0.23 -0.25 0.00 -1.57 0.00 0.00 52.86 51.95 1v6f s ASN 35 Cb -0.18 -0.23 0.08 0.00 -0.02 0.00 0.00 41.25 40.90 1v6f s ASN 35 CO 0.60 -3.12 0.74 0.00 -2.57 0.00 0.00 177.10 172.75 1v6f s ALA 36 N -3.79 -1.68 -0.24 0.60 0.00 -1.26 -1.15 121.76 114.25 1v6f s ALA 36 Ca 0.75 0.65 -0.04 0.00 0.00 0.00 0.00 51.96 53.32 1v6f s ALA 36 Cb -0.03 0.68 0.12 0.00 0.00 0.00 0.00 23.12 23.89 1v6f s ALA 36 CO 0.54 -0.76 0.43 0.00 0.00 0.00 0.00 175.76 175.97 1v6f s ALA 37 N -3.47 -1.30 -0.26 0.00 0.00 0.73 -3.07 121.76 114.39 1v6f s ALA 37 Ca 0.04 1.31 -0.09 0.00 0.00 0.00 0.00 51.96 53.22 1v6f s ALA 37 Cb -0.01 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 1v6f s ALA 37 CO -0.10 -1.06 0.11 0.42 0.00 0.00 0.00 175.76 175.14 1v6f s ILE 38 N 2.63 4.69 -0.06 0.00 1.01 -0.89 -0.26 121.20 128.32 1v6f s ILE 38 Ca 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.63 1v6f s ILE 38 Cb -0.14 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1v6f s ILE 38 CO -0.15 0.31 0.17 -0.63 0.00 0.00 0.00 174.94 174.63 1v6f s ILE 39 N 1.63 5.46 0.01 2.92 1.01 -0.73 -0.59 121.20 130.92 1v6f s ILE 39 Ca 0.07 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.77 1v6f s ILE 39 Cb -0.15 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 1v6f s ILE 39 CO 0.06 0.47 -0.05 -0.04 0.00 0.00 0.00 174.94 175.38 1v6f s MET 40 N -1.49 0.38 0.31 2.79 -1.94 -0.03 -1.34 119.30 117.98 1v6f s MET 40 Ca 0.21 -0.39 0.03 0.00 -1.71 0.00 0.00 55.69 53.84 1v6f s MET 40 Cb -0.12 -0.26 -0.06 0.00 2.01 0.00 0.00 34.83 36.40 1v6f s MET 40 CO 0.12 0.06 0.08 -1.59 -0.01 0.00 0.00 175.02 173.67 1v6f s LYS 41 N -0.71 1.58 -0.06 2.03 0.00 -1.20 -2.13 119.74 119.26 1v6f s LYS 41 Ca -0.04 -1.88 0.03 0.00 0.00 0.00 0.00 55.97 54.09 1v6f s LYS 41 Cb -0.05 -0.64 0.01 0.00 0.00 0.00 0.00 37.83 37.15 1v6f s LYS 41 CO -0.00 -0.24 -0.15 0.42 0.00 0.00 0.00 175.35 175.38 1v6f s ILE 42 N -3.45 1.30 0.34 3.79 1.01 -1.26 -2.96 121.20 119.97 1v6f s ILE 42 Ca 0.36 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.48 1v6f s ILE 42 Cb 0.08 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 1v6f s ILE 42 CO 0.15 0.39 0.27 -0.62 0.00 0.00 0.00 174.94 175.13 1v6f s ASP 43 N 0.37 5.17 -0.19 3.58 -1.08 -1.26 -5.01 116.67 118.24 1v6f s ASP 43 Ca -0.10 -0.56 -0.20 0.00 -0.52 0.00 0.00 52.55 51.17 1v6f s ASP 43 Cb -0.14 -0.90 -0.21 0.00 -1.46 0.00 0.00 42.92 40.21 1v6f s ASP 43 CO 0.03 -0.37 0.29 0.07 0.52 0.00 0.00 175.17 175.71 1v6f h LYS 44 N 1.28 0.05 -0.36 4.34 2.10 -1.96 -0.93 116.57 121.09 1v6f h LYS 44 Ca -0.44 -0.09 -0.06 0.00 -2.00 0.00 0.00 60.65 58.06 1v6f h LYS 44 Cb 1.25 0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.60 1v6f h LYS 44 CO 0.59 1.04 -0.02 -0.44 -2.00 0.00 0.00 179.45 178.62 1v6f h ASP 45 N -0.82 0.54 0.39 7.07 5.19 -2.01 -2.76 116.42 124.02 1v6f h ASP 45 Ca -0.34 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1v6f h ASP 45 Cb 1.41 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.78 1v6f h ASP 45 CO -0.14 0.63 -1.33 -0.62 -3.12 0.00 0.00 179.24 174.66 1v6f n GLU 46 N -4.25 0.45 -3.23 3.56 1.02 -1.26 -4.95 120.64 111.99 1v6f n GLU 46 Ca 0.02 -0.04 -0.22 0.00 -0.02 0.00 0.00 57.16 56.89 1v6f n GLU 46 Cb 0.27 -1.61 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 1v6f n GLU 46 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1v6f n ARG 47 N -2.18 -0.86 -3.75 3.49 0.00 -0.35 -4.83 116.66 108.17 1v6f n ARG 47 Ca -0.00 0.07 -0.12 0.00 -0.00 0.00 0.00 57.85 57.80 1v6f n ARG 47 Cb 0.50 -2.47 -0.12 0.00 -0.00 0.00 0.00 32.46 30.37 1v6f n ARG 47 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1v6f s LEU 48 N -4.59 0.64 -0.03 2.89 1.98 -1.26 -4.39 118.68 113.92 1v6f s LEU 48 Ca 0.38 0.55 -0.30 0.00 -2.89 0.00 0.00 54.13 51.87 1v6f s LEU 48 Cb -0.22 0.85 -0.06 0.00 0.66 0.00 0.00 46.19 47.42 1v6f s LEU 48 CO 0.56 -0.13 1.55 -0.69 -1.89 0.00 0.00 176.35 175.75 1v6f s VAL 49 N 0.77 3.60 0.12 1.68 1.01 0.12 -4.27 120.40 123.43 1v6f s VAL 49 Ca -0.05 0.85 0.06 0.00 0.00 0.00 0.00 61.98 62.84 1v6f s VAL 49 Cb -0.06 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1v6f s VAL 49 CO -0.05 -0.05 -0.14 0.68 0.00 0.00 0.00 175.10 175.55 1v6f s VAL 50 N 3.35 1.31 0.29 2.92 -7.23 -1.15 0.05 120.40 119.94 1v6f s VAL 50 Ca 0.69 -1.69 -0.30 0.00 -1.81 0.00 0.00 61.98 58.88 1v6f s VAL 50 Cb -0.33 -1.50 -0.12 0.00 0.56 0.00 0.00 36.38 34.99 1v6f s VAL 50 CO 0.28 -0.40 1.50 -0.11 -0.31 0.00 0.00 175.10 176.05 1v6f n LEU 51 N 0.59 3.96 -0.11 1.32 -0.00 -1.26 -3.23 117.00 118.26 1v6f n LEU 51 Ca -0.16 1.16 -0.21 0.00 -0.00 0.00 0.00 56.01 56.80 1v6f n LEU 51 Cb 0.57 -1.54 -0.08 0.00 -0.00 0.00 0.00 43.42 42.37 1v6f n LEU 51 CO 0.27 -0.10 -1.24 -0.67 -0.00 0.00 0.00 177.39 175.64 1v6f n ASP 52 N 1.82 1.81 -3.59 1.96 2.03 -0.45 -4.89 116.55 115.24 1v6f n ASP 52 Ca 0.08 0.16 -0.07 0.00 0.52 0.00 0.00 54.79 55.48 1v6f n ASP 52 Cb 0.35 -0.56 -0.04 0.00 -0.72 0.00 0.00 41.12 40.15 1v6f n ASP 52 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1v6f s GLU 53 N -2.41 0.45 -0.19 -0.67 -1.05 -1.20 -5.01 118.70 108.61 1v6f s GLU 53 Ca -0.30 0.02 -0.00 0.00 -0.15 0.00 0.00 54.97 54.53 1v6f s GLU 53 Cb 0.11 0.21 0.01 0.00 -0.44 0.00 0.00 34.13 34.02 1v6f s GLU 53 CO 0.42 -0.16 -0.16 -1.21 0.95 0.00 0.00 175.26 175.10 1v6f s GLU 54 N -1.55 3.11 -0.19 -4.83 2.02 -1.26 -1.78 118.70 114.22 1v6f s GLU 54 Ca 0.03 -0.77 -0.08 0.00 0.02 0.00 0.00 54.97 54.17 1v6f s GLU 54 Cb -0.01 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 1v6f s GLU 54 CO -0.03 -0.19 0.07 -0.51 0.02 0.00 0.00 175.26 174.62 1v6f s LEU 55 N 1.31 3.85 0.08 1.80 1.43 0.65 -4.97 118.68 122.82 1v6f s LEU 55 Ca 0.04 0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.30 1v6f s LEU 55 Cb -0.13 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1v6f s LEU 55 CO -0.10 0.16 -0.14 -1.61 0.23 0.00 0.00 176.35 174.90 1v6f s GLU 56 N 0.47 2.08 -1.34 1.70 8.01 -1.26 -0.19 118.70 128.18 1v6f s GLU 56 Ca 0.04 -1.01 -0.11 0.00 0.01 0.00 0.00 54.97 53.90 1v6f s GLU 56 Cb -0.12 -2.25 0.01 0.00 -4.31 0.00 0.00 34.13 27.45 1v6f s GLU 56 CO 0.00 0.52 0.47 0.41 0.01 0.00 0.00 175.26 176.68 1v6f n GLY 57 N 1.06 -0.49 3.83 -1.39 0.00 -0.30 -4.92 105.19 102.98 1v6f n GLY 57 Ca -0.15 0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1v6f n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1v6f s VAL 58 N -3.85 1.99 0.25 1.61 -7.23 -1.26 -4.91 120.40 107.00 1v6f s VAL 58 Ca 0.20 -1.59 0.12 0.00 -1.81 0.00 0.00 61.98 58.89 1v6f s VAL 58 Cb -0.09 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 1v6f s VAL 58 CO 0.92 0.00 -0.20 -0.44 -0.31 0.00 0.00 175.10 175.07 1v6f s SER 59 N -4.09 3.62 0.20 4.85 0.01 -1.26 -4.70 113.70 112.33 1v6f s SER 59 Ca 0.36 -0.95 0.21 0.00 1.31 0.00 0.00 55.95 56.88 1v6f s SER 59 Cb 0.00 -0.33 0.89 0.00 0.21 0.00 0.00 66.02 66.79 1v6f s SER 59 CO 0.21 0.06 1.65 -0.81 0.41 0.00 0.00 173.24 174.76 1v6f n PRO 60 N -0.39 0.15 -0.00 12.44 -0.04 -1.26 -0.74 135.00 145.15 1v6f n PRO 60 Ca -0.07 0.39 -0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1v6f n PRO 60 Cb 0.59 -1.78 -0.11 0.00 -0.04 0.00 0.00 33.50 32.15 1v6f n PRO 60 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1v6f n ASP 61 N -2.06 0.54 -0.04 3.54 5.68 -1.26 -3.74 116.55 119.20 1v6f n ASP 61 Ca 0.02 0.24 -0.07 0.00 -0.50 0.00 0.00 54.79 54.48 1v6f n ASP 61 Cb 0.21 0.64 -0.14 0.00 -1.14 0.00 0.00 41.12 40.69 1v6f n ASP 61 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1v6f n GLU 62 N -2.75 0.65 0.07 0.11 1.02 -1.01 -4.38 120.64 114.35 1v6f n GLU 62 Ca -0.14 0.16 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 1v6f n GLU 62 Cb 0.86 -1.69 -0.05 0.00 -0.02 0.00 0.00 31.44 30.54 1v6f n GLU 62 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1v6f h LEU 63 N 0.00 -0.81 -1.94 -4.62 5.85 -1.12 -0.30 115.31 112.38 1v6f h LEU 63 Ca -0.35 0.10 0.25 0.00 0.84 0.00 0.00 57.88 58.72 1v6f h LEU 63 Cb 2.00 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 43.32 1v6f h LEU 63 CO 0.05 -0.35 0.67 0.07 -0.34 0.00 0.00 178.44 178.55 1v6f h LYS 64 N -0.44 0.00 -0.06 1.25 2.10 -1.76 0.65 116.57 118.31 1v6f h LYS 64 Ca 0.05 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.62 1v6f h LYS 64 Cb 0.51 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.82 1v6f h LYS 64 CO -0.22 0.00 -0.34 0.22 -2.00 0.00 0.00 179.45 177.11 1v6f h ASP 65 N 0.00 0.12 0.06 7.07 3.58 -1.25 -2.12 116.42 123.88 1v6f h ASP 65 Ca 0.40 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.81 1v6f h ASP 65 Cb 1.75 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.77 1v6f h ASP 65 CO -0.00 0.46 -0.05 -0.62 -2.88 0.00 0.00 179.24 176.15 1v6f n GLU 66 N -4.10 1.37 -3.99 0.28 -0.58 0.22 -4.87 120.64 108.96 1v6f n GLU 66 Ca -0.02 -0.70 -0.31 0.00 -0.42 0.00 0.00 57.16 55.72 1v6f n GLU 66 Cb 0.41 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.74 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 -2.12 4.05 0.17 -4.62 1.43 -0.80 -5.08 118.68 111.72 1v6f s LEU 67 Ca 0.37 0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.29 1v6f s LEU 67 Cb 0.21 -2.67 -0.08 0.00 0.03 0.00 0.00 46.19 43.67 1v6f s LEU 67 CO 0.38 0.18 1.33 -2.16 0.23 0.00 0.00 176.35 176.30 1v6f s PRO 68 N -2.39 4.37 -0.22 1.29 0.04 -1.26 -4.93 135.00 131.90 1v6f s PRO 68 Ca 0.31 2.04 0.15 0.00 0.04 0.00 0.00 61.00 63.54 1v6f s PRO 68 Cb -0.13 -3.22 0.78 0.00 0.04 0.00 0.00 34.50 31.97 1v6f s PRO 68 CO 0.24 -0.31 1.70 -0.85 0.04 0.00 0.00 177.00 177.82 1v6f n GLU 69 N 3.09 4.55 0.00 4.56 0.28 -1.26 -4.28 120.64 127.58 1v6f n GLU 69 Ca 0.08 -3.10 0.00 0.00 -0.16 0.00 0.00 57.16 53.97 1v6f n GLU 69 Cb 0.43 -2.18 0.00 0.00 1.43 0.00 0.00 31.44 31.12 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 0.51 1.95 -4.25 3.44 5.12 -1.26 -4.72 116.66 117.45 1v6f n ARG 70 Ca 0.27 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.97 1v6f n ARG 70 Cb 1.14 -0.77 -0.12 0.00 -1.16 0.00 0.00 32.46 31.55 1v6f n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1v6f s GLN 71 N -1.53 1.01 0.20 5.56 -0.21 -1.26 -3.54 119.66 119.88 1v6f s GLN 71 Ca 0.00 -1.08 -0.30 0.00 0.02 0.00 0.00 55.36 54.00 1v6f s GLN 71 Cb 0.00 -1.17 -0.09 0.00 1.00 0.00 0.00 33.01 32.75 1v6f s GLN 71 CO 0.00 0.27 1.30 -1.25 -2.12 0.00 0.00 175.29 173.49 1v6f s PRO 72 N -1.83 4.39 0.06 2.91 0.04 -1.26 -4.59 135.00 134.73 1v6f s PRO 72 Ca 0.03 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.12 1v6f s PRO 72 Cb -0.10 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1v6f s PRO 72 CO 0.03 -0.24 -0.05 0.50 0.04 0.00 0.00 177.00 177.28 1v6f s ARG 73 N -0.15 0.64 -0.11 4.56 6.06 -0.46 -4.99 118.95 124.49 1v6f s ARG 73 Ca 0.56 -1.11 -0.09 0.00 -2.50 0.00 0.00 55.73 52.59 1v6f s ARG 73 Cb -0.36 -0.04 -0.04 0.00 0.06 0.00 0.00 34.95 34.57 1v6f s ARG 73 CO 0.38 -0.04 0.19 -0.06 -2.50 0.00 0.00 175.30 173.27 1v6f s PHE 74 N -3.09 3.60 -0.13 5.12 0.08 -0.90 -2.60 117.98 120.06 1v6f s PHE 74 Ca 0.03 0.59 -0.09 0.00 0.12 0.00 0.00 56.93 57.58 1v6f s PHE 74 Cb 0.02 -2.04 0.04 0.00 -0.57 0.00 0.00 43.02 40.48 1v6f s PHE 74 CO -0.05 0.66 0.33 0.42 -0.10 0.00 0.00 175.22 176.48 1v6f s ILE 75 N -0.85 -0.02 -0.37 0.64 1.09 -1.22 -0.85 121.20 119.62 1v6f s ILE 75 Ca 0.16 0.07 0.00 0.00 -1.10 0.00 0.00 60.65 59.78 1v6f s ILE 75 Cb -0.13 -0.48 0.10 0.00 -1.06 0.00 0.00 42.46 40.90 1v6f s ILE 75 CO 0.05 0.03 0.12 -0.69 -0.10 0.00 0.00 174.94 174.35 1v6f s VAL 76 N 0.85 2.79 0.23 2.92 1.01 0.25 -2.15 120.40 126.29 1v6f s VAL 76 Ca -0.06 -2.17 0.05 0.00 0.00 0.00 0.00 61.98 59.81 1v6f s VAL 76 Cb -0.06 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1v6f s VAL 76 CO -0.06 -0.62 0.29 -0.47 0.00 0.00 0.00 175.10 174.24 1v6f s TYR 77 N 1.03 3.35 -0.35 5.22 5.04 -1.20 -2.09 117.35 128.35 1v6f s TYR 77 Ca 0.09 -0.03 -0.00 0.00 -2.44 0.00 0.00 57.07 54.69 1v6f s TYR 77 Cb -0.21 -1.53 0.12 0.00 0.35 0.00 0.00 41.96 40.68 1v6f s TYR 77 CO -0.06 0.48 0.16 0.45 -1.34 0.00 0.00 175.55 175.24 1v6f s SER 78 N -3.79 3.63 0.85 4.32 0.15 -1.17 -2.55 113.70 115.15 1v6f s SER 78 Ca 0.34 -1.98 -0.12 0.00 0.70 0.00 0.00 55.95 54.89 1v6f s SER 78 Cb -0.09 -0.74 0.10 0.00 -1.71 0.00 0.00 66.02 63.58 1v6f s SER 78 CO 0.27 -0.36 1.10 -0.47 1.20 0.00 0.00 173.24 174.99 1v6f s TYR 79 N 1.22 2.56 -0.38 3.44 5.04 -1.25 -4.48 117.35 123.49 1v6f s TYR 79 Ca 0.14 1.18 -0.07 0.00 -2.44 0.00 0.00 57.07 55.88 1v6f s TYR 79 Cb -0.20 -3.16 0.07 0.00 0.35 0.00 0.00 41.96 39.02 1v6f s TYR 79 CO -0.14 -2.12 0.18 0.21 -1.34 0.00 0.00 175.55 172.34 1v6f s LYS 80 N -5.06 2.50 -0.62 4.97 2.20 -1.26 -3.24 119.74 119.22 1v6f s LYS 80 Ca 0.62 -1.41 -0.18 0.00 -0.36 0.00 0.00 55.97 54.64 1v6f s LYS 80 Cb -0.16 -3.60 0.12 0.00 -1.51 0.00 0.00 37.83 32.68 1v6f s LYS 80 CO 0.55 -0.86 0.71 -0.47 -0.36 0.00 0.00 175.35 174.92 1v6f s TYR 81 N 1.36 3.10 0.25 4.03 6.14 -0.22 -4.97 117.35 127.04 1v6f s TYR 81 Ca 0.02 -1.12 -0.24 0.00 0.64 0.00 0.00 57.07 56.36 1v6f s TYR 81 Cb -0.22 -3.99 -0.09 0.00 0.42 0.00 0.00 41.96 38.09 1v6f s TYR 81 CO 0.01 -1.25 0.84 -1.14 0.64 0.00 0.00 175.55 174.65 1v6f s GLN 82 N 2.33 4.51 -0.08 4.97 2.00 -1.26 -2.32 119.66 129.81 1v6f s GLN 82 Ca 0.12 1.17 -0.01 0.00 -2.00 0.00 0.00 55.36 54.64 1v6f s GLN 82 Cb -0.23 -2.99 -0.03 0.00 0.80 0.00 0.00 33.01 30.57 1v6f s GLN 82 CO 0.04 0.41 -0.04 -1.01 -0.50 0.00 0.00 175.29 174.19 1v6f s HIS 83 N -1.43 3.04 0.19 1.67 3.76 0.22 -4.96 115.29 117.79 1v6f s HIS 83 Ca 0.44 0.08 -0.22 0.00 -0.15 0.00 0.00 55.06 55.21 1v6f s HIS 83 Cb -0.20 -1.76 0.12 0.00 1.11 0.00 0.00 32.58 31.85 1v6f s HIS 83 CO 0.24 0.37 1.56 0.22 -0.85 0.00 0.00 174.74 176.29 1v6f h ASP 84 N 5.29 -1.48 -1.05 1.40 3.58 -1.98 0.49 116.42 122.67 1v6f h ASP 84 Ca -0.49 0.28 0.41 0.00 0.42 0.00 0.00 57.03 57.65 1v6f h ASP 84 Cb 1.18 0.72 -0.17 0.00 1.72 0.00 0.00 39.33 42.78 1v6f h ASP 84 CO 0.54 -0.30 0.60 0.44 -2.88 0.00 0.00 179.24 177.63 1v6f h ASP 85 N -0.10 0.34 0.00 2.28 3.32 -2.05 -3.44 116.42 116.78 1v6f h ASP 85 Ca 0.25 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1v6f h ASP 85 Cb 0.56 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1v6f h ASP 85 CO -0.83 -0.35 0.00 0.61 -1.72 0.00 0.00 179.24 176.95 1v6f n GLY 86 N -1.31 1.34 3.77 2.75 0.00 0.17 -5.13 105.19 106.79 1v6f n GLY 86 Ca 0.37 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 1v6f n GLY 86 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1v6f s ARG 87 N 0.00 3.98 -0.07 1.61 3.52 -1.24 -4.66 118.95 122.08 1v6f s ARG 87 Ca 0.00 1.88 -0.03 0.00 -0.13 0.00 0.00 55.73 57.45 1v6f s ARG 87 Cb 0.00 -2.64 0.04 0.00 -1.56 0.00 0.00 34.95 30.79 1v6f s ARG 87 CO 0.00 -0.40 0.16 0.54 -0.81 0.00 0.00 175.30 174.80 1v6f s VAL 88 N -1.41 -0.06 0.13 7.11 0.11 -1.26 0.73 120.40 125.75 1v6f s VAL 88 Ca 0.58 0.18 0.08 0.00 -2.93 0.00 0.00 61.98 59.89 1v6f s VAL 88 Cb -0.32 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1v6f s VAL 88 CO 0.40 0.07 -0.18 -0.94 -3.33 0.00 0.00 175.10 171.12 1v6f s SER 89 N 1.23 2.39 -0.69 3.54 1.04 -0.98 -4.96 113.70 115.28 1v6f s SER 89 Ca -0.09 -0.78 -0.10 0.00 0.48 0.00 0.00 55.95 55.47 1v6f s SER 89 Cb -0.11 -0.12 0.18 0.00 0.10 0.00 0.00 66.02 66.06 1v6f s SER 89 CO -0.06 -0.04 0.58 -0.31 0.98 0.00 0.00 173.24 174.39 1v6f s TYR 90 N -1.75 3.57 -0.06 5.02 2.02 -1.26 -1.06 117.35 123.83 1v6f s TYR 90 Ca 0.10 -2.16 -0.30 0.00 -0.37 0.00 0.00 57.07 54.34 1v6f s TYR 90 Cb -0.07 -3.57 -0.05 0.00 -0.40 0.00 0.00 41.96 37.87 1v6f s TYR 90 CO 0.05 -0.95 1.50 -1.25 -1.57 0.00 0.00 175.55 173.34 1v6f s PRO 91 N 0.36 4.22 -0.06 -1.71 0.04 -1.20 -4.83 135.00 131.81 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 -0.17 -3.83 -0.03 0.00 0.04 0.00 0.00 34.50 30.52 1v6f s PRO 91 CO -0.05 -0.75 1.10 -0.51 0.04 0.00 0.00 177.00 176.83 1v6f s LEU 92 N 3.50 4.28 0.12 -3.56 2.01 -1.26 -3.81 118.68 119.96 1v6f s LEU 92 Ca 0.67 1.70 0.06 0.00 0.01 0.00 0.00 54.13 56.57 1v6f s LEU 92 Cb -0.30 -3.56 -0.04 0.00 0.01 0.00 0.00 46.19 42.30 1v6f s LEU 92 CO 0.25 -0.48 -0.15 0.00 1.01 0.00 0.00 176.35 176.98 1v6f s PHE 94 N -1.93 3.27 -0.52 0.00 2.19 -0.43 -3.23 117.98 117.33 1v6f s PHE 94 Ca 0.08 -1.10 -0.18 0.00 0.33 0.00 0.00 56.93 56.07 1v6f s PHE 94 Cb -0.06 -2.69 0.08 0.00 -1.31 0.00 0.00 43.02 39.04 1v6f s PHE 94 CO 0.03 -0.72 0.56 0.42 1.83 0.00 0.00 175.22 177.34 1v6f s ILE 95 N 1.54 5.01 -0.94 3.12 1.01 -0.91 -0.83 121.20 129.19 1v6f s ILE 95 Ca 0.03 -0.91 -0.22 0.00 0.00 0.00 0.00 60.65 59.55 1v6f s ILE 95 Cb -0.21 -4.30 0.08 0.00 0.01 0.00 0.00 42.46 38.04 1v6f s ILE 95 CO 0.06 -0.82 1.30 0.12 0.00 0.00 0.00 174.94 175.59 1v6f s PHE 96 N 2.21 2.72 -0.39 3.97 5.36 0.42 -3.40 117.98 128.88 1v6f s PHE 96 Ca 0.09 -0.95 -0.28 0.00 -0.96 0.00 0.00 56.93 54.84 1v6f s PHE 96 Cb -0.23 -4.53 -0.01 0.00 -0.34 0.00 0.00 43.02 37.91 1v6f s PHE 96 CO 0.08 -1.78 1.74 0.45 -1.46 0.00 0.00 175.22 174.25 1v6f s SER 97 N 4.34 5.87 -0.31 6.13 0.15 -1.07 -2.70 113.70 126.10 1v6f s SER 97 Ca 0.39 1.06 0.01 0.00 0.70 0.00 0.00 55.95 58.11 1v6f s SER 97 Cb -0.03 -2.53 0.10 0.00 -1.71 0.00 0.00 66.02 61.84 1v6f s SER 97 CO -0.07 -1.77 0.07 -0.94 1.20 0.00 0.00 173.24 171.73 1v6f s SER 98 N 6.05 4.25 0.16 5.45 1.04 -0.32 -1.36 113.70 128.96 1v6f s SER 98 Ca 0.74 -1.76 -0.31 0.00 0.48 0.00 0.00 55.95 55.11 1v6f s SER 98 Cb -0.19 -1.14 -0.08 0.00 0.10 0.00 0.00 66.02 64.70 1v6f s SER 98 CO 0.31 -0.39 1.33 -2.16 0.98 0.00 0.00 173.24 173.32 1v6f s PRO 99 N 1.36 4.37 0.53 4.02 0.04 -1.26 -3.43 135.00 140.63 1v6f s PRO 99 Ca 0.09 2.04 0.31 0.00 0.04 0.00 0.00 61.00 63.48 1v6f s PRO 99 Cb -0.18 -3.22 1.47 0.00 0.04 0.00 0.00 34.50 32.61 1v6f s PRO 99 CO -0.18 -0.32 1.89 0.28 0.04 0.00 0.00 177.00 178.71 1v6f h VAL 100 N 3.98 0.55 -0.02 -0.36 2.07 -1.45 0.29 116.25 121.31 1v6f h VAL 100 Ca -0.44 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1v6f h VAL 100 Cb 1.21 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1v6f h VAL 100 CO 0.81 0.00 0.01 0.61 0.02 0.00 0.00 177.57 179.02 1v6f n GLY 101 N -1.71 1.69 3.93 2.17 0.00 -1.26 -4.85 105.19 105.15 1v6f n GLY 101 Ca 0.19 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.30 3.54 0.07 0.00 -2.85 -1.26 -5.02 119.74 109.92 1v6f s LYS 103 Ca 0.43 -0.27 -0.17 0.00 -1.00 0.00 0.00 55.97 54.95 1v6f s LYS 103 Cb -0.10 -2.79 -0.11 0.00 -2.06 0.00 0.00 37.83 32.77 1v6f s LYS 103 CO 0.37 0.35 1.39 -1.00 0.10 0.00 0.00 175.35 176.56 1v6f h PRO 104 N 1.86 0.55 -0.98 1.78 0.13 -1.98 -1.94 132.00 131.42 1v6f h PRO 104 Ca -0.48 -0.29 0.28 0.00 -0.87 0.00 0.00 66.00 64.64 1v6f h PRO 104 Cb 1.19 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1v6f h PRO 104 CO 0.67 0.88 0.81 1.49 -0.23 0.00 0.00 178.00 181.62 1v6f h GLU 105 N 0.25 0.00 0.05 0.86 4.57 -1.99 -0.46 114.58 117.85 1v6f h GLU 105 Ca 0.04 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.86 1v6f h GLU 105 Cb 0.78 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.32 1v6f h GLU 105 CO 0.06 0.00 -2.01 1.04 -1.18 0.00 0.00 179.01 176.91 1v6f n GLN 106 N -3.93 0.66 -0.43 1.92 1.13 -1.16 -4.06 117.38 111.52 1v6f n GLN 106 Ca 0.21 0.31 0.36 0.00 -1.94 0.00 0.00 57.00 55.94 1v6f n GLN 106 Cb 1.14 -1.64 0.66 0.00 0.11 0.00 0.00 30.24 30.50 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 -0.37 0.12 -0.02 -1.09 1.08 -0.28 1.27 115.11 115.82 1v6f h GLN 107 Ca -0.48 -0.01 -0.20 0.00 -1.45 0.00 0.00 58.65 56.51 1v6f h GLN 107 Cb 1.77 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 29.16 1v6f h GLN 107 CO -0.10 0.08 -0.86 0.52 -0.95 0.00 0.00 178.83 177.52 1v6f h MET 108 N 0.13 0.31 -0.34 1.46 2.86 -1.61 0.30 114.93 118.04 1v6f h MET 108 Ca 0.74 -0.31 -0.12 0.00 -2.06 0.00 0.00 59.70 57.95 1v6f h MET 108 Cb 2.45 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 34.18 1v6f h MET 108 CO -0.27 1.00 -0.30 1.98 1.06 0.00 0.00 176.91 180.38 1v6f h MET 109 N 0.18 0.72 0.03 1.72 1.85 0.14 -2.27 114.93 117.30 1v6f h MET 109 Ca -0.05 -0.32 -0.29 0.00 -0.61 0.00 0.00 59.70 58.43 1v6f h MET 109 Cb 1.47 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 33.45 1v6f h MET 109 CO 0.14 0.93 -1.63 1.88 -0.40 0.00 0.00 176.91 177.83 1v6f h TYR 110 N 0.61 0.11 0.17 1.39 0.05 -1.18 -3.20 116.97 114.93 1v6f h TYR 110 Ca 0.07 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1v6f h TYR 110 Cb 0.81 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.55 1v6f h TYR 110 CO 0.04 1.14 -0.08 0.00 -1.05 0.00 0.00 178.16 178.21 1v6f h ALA 111 N 0.82 -0.86 -0.31 3.88 0.00 -0.38 0.52 119.26 122.93 1v6f h ALA 111 Ca -0.26 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.69 1v6f h ALA 111 Cb 1.98 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 1v6f h ALA 111 CO 0.10 -0.84 0.22 0.78 0.00 0.00 0.00 179.25 179.51 1v6f h GLY 112 N -0.27 0.01 1.13 0.00 0.00 -1.62 -1.78 103.07 100.55 1v6f h GLY 112 Ca -0.02 -0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.04 1v6f h GLY 112 CO 0.04 0.00 -1.07 1.76 0.00 0.00 0.00 176.54 177.27 1v6f h SER 113 N 0.01 0.83 -0.20 0.19 0.02 -1.54 -3.34 113.55 109.52 1v6f h SER 113 Ca 0.15 -0.79 0.05 0.00 -0.84 0.00 0.00 61.79 60.35 1v6f h SER 113 Cb 0.58 -0.26 -0.07 0.00 0.14 0.00 0.00 62.40 62.79 1v6f h SER 113 CO -0.00 1.53 -0.41 0.50 -1.14 0.00 0.00 176.83 177.31 1v6f h LYS 114 N 0.23 -0.42 -0.30 3.45 3.64 0.96 -2.72 116.57 121.40 1v6f h LYS 114 Ca -0.15 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1v6f h LYS 114 Cb 1.75 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.63 1v6f h LYS 114 CO 0.21 -0.28 -0.18 -1.71 -2.27 0.00 0.00 179.45 175.22 1v6f n ASN 115 N -5.43 -0.32 -0.28 4.20 2.85 -1.14 0.10 115.26 115.24 1v6f n ASN 115 Ca -0.03 0.93 0.05 0.00 -0.11 0.00 0.00 54.58 55.42 1v6f n ASN 115 Cb 0.35 -0.27 0.15 0.00 1.24 0.00 0.00 39.78 41.26 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 0.04 -0.18 1.20 3.64 -1.66 -0.01 116.57 119.60 1v6f h LYS 116 Ca 0.05 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1v6f h LYS 116 Cb 0.12 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.87 1v6f h LYS 116 CO -0.29 0.03 -0.33 -0.07 -2.27 0.00 0.00 179.45 176.53 1v6f h LEU 117 N 0.04 -1.02 -1.44 5.20 3.38 0.81 0.36 115.31 122.63 1v6f h LEU 117 Ca 0.43 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1v6f h LEU 117 Cb 0.73 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1v6f h LEU 117 CO -0.78 -0.35 0.50 0.58 0.09 0.00 0.00 178.44 178.48 1v6f h VAL 118 N -0.37 0.00 0.02 1.22 2.07 -0.06 0.41 116.25 119.55 1v6f h VAL 118 Ca 0.11 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.27 1v6f h VAL 118 Cb 0.55 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 1v6f h VAL 118 CO -0.39 0.00 -2.18 0.00 0.02 0.00 0.00 177.57 175.02 1v6f n GLN 119 N -2.75 0.68 -0.15 1.57 1.13 0.10 -1.37 117.38 116.60 1v6f n GLN 119 Ca -0.01 0.16 -0.10 0.00 -1.94 0.00 0.00 57.00 55.10 1v6f n GLN 119 Cb 0.54 -1.62 -0.01 0.00 0.11 0.00 0.00 30.24 29.26 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 0.01 1.26 -0.01 5.09 2.02 0.23 -2.75 112.91 118.77 1v6f h THR 120 Ca -0.47 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1v6f h THR 120 Cb 2.06 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1v6f h THR 120 CO 0.02 0.36 -0.17 0.00 0.37 0.00 0.00 175.52 176.11 1v6f n ALA 121 N -2.42 2.89 -3.51 6.16 0.00 -0.34 -4.86 120.51 118.43 1v6f n ALA 121 Ca -0.00 -0.33 -0.18 0.00 0.00 0.00 0.00 53.44 52.92 1v6f n ALA 121 Cb 0.31 -1.24 0.07 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.77 -5.76 -3.62 0.00 1.02 -1.04 -4.93 120.64 105.55 1v6f n GLU 122 Ca 0.14 0.77 -0.37 0.00 -0.02 0.00 0.00 57.16 57.67 1v6f n GLU 122 Cb 0.31 -5.62 -0.06 0.00 -0.02 0.00 0.00 31.44 26.05 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 -6.41 4.39 -0.23 -4.62 1.43 -0.47 -5.01 118.68 107.76 1v6f s LEU 123 Ca 0.03 0.70 -0.18 0.00 -1.03 0.00 0.00 54.13 53.65 1v6f s LEU 123 Cb -0.01 -2.38 -0.16 0.00 0.03 0.00 0.00 46.19 43.68 1v6f s LEU 123 CO 0.76 0.29 -0.02 0.35 0.23 0.00 0.00 176.35 177.95 1v6f n THR 124 N 2.35 1.53 -2.94 5.49 -2.24 -1.26 -4.79 114.28 112.42 1v6f n THR 124 Ca -0.15 -0.15 -0.40 0.00 -2.27 0.00 0.00 64.05 61.07 1v6f n THR 124 Cb 0.53 -2.00 -0.04 0.00 -2.10 0.00 0.00 70.33 66.72 1v6f n THR 124 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1v6f s LYS 125 N -2.42 4.48 -0.20 -0.78 3.01 -1.26 -5.03 119.74 117.53 1v6f s LYS 125 Ca -0.32 1.06 -0.03 0.00 -1.01 0.00 0.00 55.97 55.67 1v6f s LYS 125 Cb 0.09 -3.45 0.07 0.00 -1.01 0.00 0.00 37.83 33.53 1v6f s LYS 125 CO 0.54 0.04 0.06 0.08 0.51 0.00 0.00 175.35 176.58 1v6f s VAL 126 N 0.82 0.35 0.02 3.17 1.01 -1.26 -1.31 120.40 123.20 1v6f s VAL 126 Ca 0.42 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1v6f s VAL 126 Cb -0.19 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1v6f s VAL 126 CO 0.22 -0.30 -0.06 -0.36 0.00 0.00 0.00 175.10 174.59 1v6f s PHE 127 N 1.93 2.91 -0.06 5.22 0.08 -0.01 -4.96 117.98 123.08 1v6f s PHE 127 Ca 0.01 -0.03 0.03 0.00 0.12 0.00 0.00 56.93 57.06 1v6f s PHE 127 Cb -0.17 -1.60 0.01 0.00 -0.57 0.00 0.00 43.02 40.69 1v6f s PHE 127 CO -0.12 0.39 -0.14 -2.00 -0.10 0.00 0.00 175.22 173.26 1v6f s GLU 128 N -1.55 1.74 -0.10 0.44 2.12 -1.26 -0.43 118.70 119.66 1v6f s GLU 128 Ca 0.18 -0.48 -0.00 0.00 0.36 0.00 0.00 54.97 55.04 1v6f s GLU 128 Cb -0.11 -1.45 -0.03 0.00 0.26 0.00 0.00 34.13 32.80 1v6f s GLU 128 CO 0.09 0.09 -0.08 0.96 -0.54 0.00 0.00 175.26 175.78 1v6f s ILE 129 N 0.47 3.53 -2.07 -3.70 -4.36 -1.10 -4.96 121.20 109.02 1v6f s ILE 129 Ca -0.12 -0.52 0.18 0.00 -0.26 0.00 0.00 60.65 59.94 1v6f s ILE 129 Cb -0.14 -2.47 0.49 0.00 1.25 0.00 0.00 42.46 41.58 1v6f s ILE 129 CO 0.03 0.56 1.64 -2.11 0.24 0.00 0.00 174.94 175.30 1v6f n ARG 130 N 2.83 1.20 -3.47 0.37 -4.01 -1.24 -1.17 116.66 111.16 1v6f n ARG 130 Ca -0.18 -0.30 0.01 0.00 -1.04 0.00 0.00 57.85 56.34 1v6f n ARG 130 Cb 0.53 -1.31 -0.04 0.00 -3.04 0.00 0.00 32.46 28.60 1v6f n ARG 130 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1v6f s ASN 131 N -1.55 -0.85 0.49 2.89 2.20 -1.22 -1.13 114.94 115.77 1v6f s ASN 131 Ca 0.28 1.09 0.38 0.00 -0.94 0.00 0.00 52.86 53.67 1v6f s ASN 131 Cb 0.14 1.93 1.56 0.00 -2.00 0.00 0.00 41.25 42.88 1v6f s ASN 131 CO 0.22 -0.16 1.60 0.71 -2.94 0.00 0.00 177.10 176.53 1v6f h THR 132 N 5.72 0.06 -0.61 0.54 1.35 -1.87 0.83 112.91 118.93 1v6f h THR 132 Ca -0.17 -0.01 0.06 0.00 -0.55 0.00 0.00 66.41 65.74 1v6f h THR 132 Cb 1.11 0.03 -0.05 0.00 -1.73 0.00 0.00 68.15 67.51 1v6f h THR 132 CO 0.09 0.00 0.32 -0.33 -0.25 0.00 0.00 175.52 175.36 1v6f h GLU 133 N 0.03 0.58 -0.95 4.72 5.08 -1.95 -1.80 114.58 120.29 1v6f h GLU 133 Ca 0.87 -0.03 0.24 0.00 -1.00 0.00 0.00 59.36 59.44 1v6f h GLU 133 Cb 3.06 -0.13 -0.13 0.00 0.50 0.00 0.00 28.75 32.05 1v6f h GLU 133 CO -0.28 0.38 0.48 0.22 -1.00 0.00 0.00 179.01 178.82 1v6f h ASP 134 N 0.59 0.46 -1.17 1.42 1.82 0.29 -3.37 116.42 116.46 1v6f h ASP 134 Ca 0.28 0.16 -0.38 0.00 -0.39 0.00 0.00 57.03 56.70 1v6f h ASP 134 Cb 0.20 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1v6f h ASP 134 CO -0.19 0.01 1.37 -0.11 -1.61 0.00 0.00 179.24 178.70 1v6f n LEU 135 N -5.00 1.91 -4.17 2.28 0.00 -0.68 -4.71 117.00 106.64 1v6f n LEU 135 Ca 0.25 -0.62 -0.12 0.00 0.00 0.00 0.00 56.01 55.52 1v6f n LEU 135 Cb 0.74 -1.51 -0.09 0.00 0.00 0.00 0.00 43.42 42.56 1v6f n LEU 135 CO 0.13 -1.68 -0.16 0.42 0.00 0.00 0.00 177.39 176.10 1v6f s THR 136 N 12.09 0.00 0.07 1.96 -4.23 -1.25 -4.41 115.64 119.88 1v6f s THR 136 Ca 1.02 -1.90 -0.26 0.00 -1.18 0.00 0.00 61.69 59.38 1v6f s THR 136 Cb -0.30 -2.45 -0.12 0.00 1.34 0.00 0.00 72.50 70.97 1v6f s THR 136 CO 0.26 0.00 1.40 -0.08 -0.54 0.00 0.00 174.62 175.66 1v6f h GLU 137 N 2.53 -0.61 -0.41 3.99 4.81 -1.90 0.13 114.58 123.12 1v6f h GLU 137 Ca -0.34 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1v6f h GLU 137 Cb 1.25 0.14 -0.09 0.00 0.63 0.00 0.00 28.75 30.68 1v6f h GLU 137 CO 0.49 -0.41 -0.21 1.49 -0.73 0.00 0.00 179.01 179.64 1v6f h GLU 138 N -0.64 -0.13 -0.94 1.92 4.81 -1.98 0.34 114.58 117.97 1v6f h GLU 138 Ca -0.02 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.34 1v6f h GLU 138 Cb 0.59 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.93 1v6f h GLU 138 CO -0.13 -0.09 0.60 2.35 -0.73 0.00 0.00 179.01 181.01 1v6f h TRP 139 N -0.13 0.98 0.16 0.92 7.01 -1.78 -1.76 115.95 121.34 1v6f h TRP 139 Ca 0.20 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.24 1v6f h TRP 139 Cb 0.44 -0.31 -0.05 0.00 -2.10 0.00 0.00 29.16 27.15 1v6f h TRP 139 CO -0.45 0.38 -0.53 1.25 -2.79 0.00 0.00 178.44 176.30 1v6f h LEU 140 N 0.85 -1.59 -1.98 0.65 7.12 0.15 -0.72 115.31 119.79 1v6f h LEU 140 Ca 0.46 0.16 -0.01 0.00 0.13 0.00 0.00 57.88 58.62 1v6f h LEU 140 Cb 0.58 0.58 -0.00 0.00 -0.53 0.00 0.00 40.66 41.29 1v6f h LEU 140 CO -0.23 -0.57 -0.07 0.03 -0.13 0.00 0.00 178.44 177.47 1v6f h ARG 141 N -0.79 0.00 -0.11 1.25 3.08 -1.28 -2.60 114.38 113.93 1v6f h ARG 141 Ca -0.01 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1v6f h ARG 141 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1v6f h ARG 141 CO -0.27 0.07 0.01 1.49 -1.07 0.00 0.00 179.97 180.20 1v6f h GLU 142 N 0.00 0.05 -0.72 0.04 4.57 -0.28 0.20 114.58 118.44 1v6f h GLU 142 Ca -0.00 -0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1v6f h GLU 142 Cb 0.13 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 1v6f h GLU 142 CO 0.01 0.03 0.22 0.87 -1.18 0.00 0.00 179.01 178.97 1v6f h LYS 143 N 0.05 1.13 -0.18 1.92 1.79 -0.97 -2.58 116.57 117.73 1v6f h LYS 143 Ca 0.05 -0.25 -0.08 0.00 -2.18 0.00 0.00 60.65 58.19 1v6f h LYS 143 Cb 0.05 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 1v6f h LYS 143 CO -0.07 0.97 -0.25 -0.07 -1.08 0.00 0.00 179.45 178.94 1v6f h LEU 144 N 1.07 0.32 -4.72 2.94 3.38 -1.26 -3.08 115.31 113.97 1v6f h LEU 144 Ca 0.23 -0.10 -0.73 0.00 0.09 0.00 0.00 57.88 57.38 1v6f h LEU 144 Cb 0.31 -0.09 -0.30 0.00 0.09 0.00 0.00 40.66 40.68 1v6f h LEU 144 CO -0.01 0.58 0.76 0.61 0.09 0.00 0.00 178.44 180.48 1v6f n GLY 145 N -0.49 5.67 2.98 0.83 0.00 0.68 -4.86 105.19 110.00 1v6f n GLY 145 Ca -0.01 -2.49 -0.31 0.00 0.00 0.00 0.00 46.02 43.21 1v6f n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v6f s SER 146 N -1.59 4.51 0.00 1.61 0.01 -1.15 -4.92 113.70 112.17 1v6f s SER 146 Ca 0.54 -2.89 0.00 0.00 1.31 0.00 0.00 55.95 54.91 1v6f s SER 146 Cb 0.45 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 65.01 1v6f s SER 146 CO -0.30 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.69 1v6f n GLY 147 N 3.31 2.95 3.65 3.44 0.00 -1.26 -5.01 105.19 112.26 1v6f n GLY 147 Ca 0.05 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 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 -4.77 4.02 0.02 1.61 0.04 -1.26 -4.97 135.00 129.68 1v6f s PRO 148 Ca 0.00 1.85 -0.27 0.00 0.04 0.00 0.00 61.00 62.62 1v6f s PRO 148 Cb 0.00 -3.97 0.09 0.00 0.04 0.00 0.00 34.50 30.66 1v6f s PRO 148 CO 0.00 -1.02 0.76 -1.54 0.04 0.00 0.00 177.00 175.24 1v6f s SER 149 N 3.49 -0.49 -0.97 6.66 1.04 -1.26 -5.10 113.70 117.06 1v6f s SER 149 Ca 0.69 0.20 -0.19 0.00 0.48 0.00 0.00 55.95 57.13 1v6f s SER 149 Cb -0.27 0.48 0.13 0.00 0.10 0.00 0.00 66.02 66.45 1v6f s SER 149 CO 0.27 -0.70 1.20 -0.44 0.98 0.00 0.00 173.24 174.55 1v6f s SER 150 N -2.12 6.66 0.00 7.02 0.01 -1.26 -5.17 113.70 118.84 1v6f s SER 150 Ca -0.01 -2.08 0.00 0.00 1.31 0.00 0.00 55.95 55.17 1v6f s SER 150 Cb -0.01 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1v6f s SER 150 CO -0.05 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.13