#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 -0.50 -0.00 1.61 0.15 -1.26 -5.18 113.70 108.51 1v6f s SER 2 Ca 0.00 0.08 -0.29 0.00 0.70 0.00 0.00 55.95 56.44 1v6f s SER 2 Cb 0.00 0.51 0.08 0.00 -1.71 0.00 0.00 66.02 64.89 1v6f s SER 2 CO 0.00 -0.79 0.70 -0.94 1.20 0.00 0.00 173.24 173.42 1v6f s SER 3 N -2.45 -0.59 -0.41 5.45 1.04 -1.26 -5.11 113.70 110.37 1v6f s SER 3 Ca 0.01 0.46 0.07 0.00 0.48 0.00 0.00 55.95 56.98 1v6f s SER 3 Cb -0.01 0.52 0.24 0.00 0.10 0.00 0.00 66.02 66.87 1v6f s SER 3 CO -0.09 -0.68 0.52 0.61 0.98 0.00 0.00 173.24 174.58 1v6f n GLY 4 N 0.49 2.95 0.21 7.32 0.00 -1.26 -4.97 105.19 109.93 1v6f n GLY 4 Ca -0.17 -1.65 -0.14 0.00 0.00 0.00 0.00 46.02 44.07 1v6f n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1v6f h SER 5 N 4.20 -0.44 -2.79 1.61 0.02 -2.09 -3.43 113.55 110.62 1v6f h SER 5 Ca 0.10 0.04 -0.53 0.00 -0.84 0.00 0.00 61.79 60.56 1v6f h SER 5 Cb 0.86 0.14 0.23 0.00 0.14 0.00 0.00 62.40 63.77 1v6f h SER 5 CO 0.48 -0.26 -1.09 -1.20 -1.14 0.00 0.00 176.83 173.62 1v6f n SER 6 N -5.29 -3.29 0.00 3.07 7.64 -1.26 -4.93 113.62 109.56 1v6f n SER 6 Ca -0.08 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1v6f n SER 6 Cb 0.21 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1v6f n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v6f n GLY 7 N 2.21 -1.29 4.39 0.23 0.00 -1.26 -5.02 105.19 104.44 1v6f n GLY 7 Ca 0.03 0.62 -0.38 0.00 0.00 0.00 0.00 46.02 46.29 1v6f n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v6f n SER 8 N 0.00 -1.40 -3.78 1.61 2.88 -1.26 -4.91 113.62 106.76 1v6f n SER 8 Ca 0.00 -1.19 -0.23 0.00 -1.33 0.00 0.00 58.87 56.12 1v6f n SER 8 Cb 0.00 -1.95 -0.17 0.00 -0.75 0.00 0.00 64.21 61.34 1v6f n SER 8 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1v6f s GLU 9 N -7.17 0.67 -0.22 -1.46 0.41 -1.26 -5.13 118.70 104.55 1v6f s GLU 9 Ca 0.57 0.06 -0.10 0.00 -0.41 0.00 0.00 54.97 55.09 1v6f s GLU 9 Cb -0.33 -1.07 -0.05 0.00 -1.78 0.00 0.00 34.13 30.90 1v6f s GLU 9 CO 0.99 -0.32 0.13 -1.12 -0.49 0.00 0.00 175.26 174.46 1v6f s SER 10 N 1.95 6.09 0.33 -0.19 0.01 -1.26 -5.09 113.70 115.54 1v6f s SER 10 Ca 0.05 0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.49 1v6f s SER 10 Cb -0.12 -2.08 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 1v6f s SER 10 CO -0.06 0.13 0.51 -0.76 0.41 0.00 0.00 173.24 173.47 1v6f s LEU 11 N 0.67 4.04 -0.50 2.44 1.43 -1.26 -5.02 118.68 120.48 1v6f s LEU 11 Ca 0.07 0.27 -0.09 0.00 -1.03 0.00 0.00 54.13 53.36 1v6f s LEU 11 Cb -0.12 -3.13 0.13 0.00 0.03 0.00 0.00 46.19 43.10 1v6f s LEU 11 CO 0.01 -0.30 0.37 -0.69 0.23 0.00 0.00 176.35 175.96 1v6f s VAL 12 N -2.25 4.20 -0.11 -1.59 1.01 -1.23 -4.97 120.40 115.46 1v6f s VAL 12 Ca 0.40 -1.91 -0.23 0.00 0.00 0.00 0.00 61.98 60.24 1v6f s VAL 12 Cb -0.09 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1v6f s VAL 12 CO 0.34 -0.79 0.70 -0.69 0.00 0.00 0.00 175.10 174.66 1v6f s VAL 13 N 1.20 5.02 0.49 2.92 1.01 -1.26 -3.61 120.40 126.17 1v6f s VAL 13 Ca 0.07 1.42 0.07 0.00 0.00 0.00 0.00 61.98 63.54 1v6f s VAL 13 Cb -0.25 -4.03 0.07 0.00 0.00 0.00 0.00 36.38 32.17 1v6f s VAL 13 CO -0.01 0.19 0.58 0.00 0.00 0.00 0.00 175.10 175.85 1v6f s ASP 15 N -3.98 5.04 -0.32 0.00 1.11 -1.26 -4.82 116.67 112.44 1v6f s ASP 15 Ca 0.44 -0.39 -0.16 0.00 0.18 0.00 0.00 52.55 52.62 1v6f s ASP 15 Cb -0.03 -1.14 -0.02 0.00 1.07 0.00 0.00 42.92 42.79 1v6f s ASP 15 CO 0.28 0.02 0.42 0.68 1.18 0.00 0.00 175.17 177.75 1v6f s VAL 16 N -2.04 5.12 0.08 -1.27 -7.23 -1.26 -1.50 120.40 112.30 1v6f s VAL 16 Ca 0.31 0.34 -0.31 0.00 -1.81 0.00 0.00 61.98 60.51 1v6f s VAL 16 Cb -0.08 -3.82 -0.09 0.00 0.56 0.00 0.00 36.38 32.95 1v6f s VAL 16 CO 0.22 -0.04 1.75 0.00 -0.31 0.00 0.00 175.10 176.72 1v6f s ALA 17 N 2.16 3.70 0.28 1.32 0.00 -0.61 -4.81 121.76 123.79 1v6f s ALA 17 Ca 0.15 1.29 -0.01 0.00 0.00 0.00 0.00 51.96 53.40 1v6f s ALA 17 Cb -0.16 -3.74 0.63 0.00 0.00 0.00 0.00 23.12 19.85 1v6f s ALA 17 CO 0.11 -1.22 1.63 1.05 0.00 0.00 0.00 175.76 177.34 1v6f h GLU 18 N 8.74 0.14 -1.01 0.00 4.11 -1.96 0.57 114.58 125.18 1v6f h GLU 18 Ca -0.44 -0.01 0.24 0.00 0.07 0.00 0.00 59.36 59.22 1v6f h GLU 18 Cb 1.21 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.32 1v6f h GLU 18 CO 0.94 0.09 0.63 -0.44 0.07 0.00 0.00 179.01 180.30 1v6f h ASP 19 N 0.15 0.61 0.01 3.06 5.19 -1.95 -1.85 116.42 121.63 1v6f h ASP 19 Ca 0.51 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 57.03 1v6f h ASP 19 Cb 1.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.52 1v6f h ASP 19 CO -0.70 0.14 -0.00 0.25 -3.12 0.00 0.00 179.24 175.81 1v6f h LEU 20 N 0.55 -0.01 -0.89 1.55 5.85 -0.23 -3.37 115.31 118.76 1v6f h LEU 20 Ca 0.60 -0.64 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1v6f h LEU 20 Cb 1.25 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.17 1v6f h LEU 20 CO -0.38 0.80 -0.52 0.52 -0.34 0.00 0.00 178.44 178.52 1v6f n VAL 21 N -4.68 -0.60 -0.33 1.05 0.31 -0.34 0.86 118.33 114.60 1v6f n VAL 21 Ca -0.07 2.27 0.31 0.00 -0.01 0.00 0.00 64.34 66.84 1v6f n VAL 21 Cb 0.31 -2.82 0.54 0.00 -0.91 0.00 0.00 33.84 30.96 1v6f n VAL 21 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1v6f n GLU 22 N -5.02 -0.04 -0.13 5.55 0.28 -0.75 0.23 120.64 120.75 1v6f n GLU 22 Ca 0.02 1.16 -0.11 0.00 -0.16 0.00 0.00 57.16 58.07 1v6f n GLU 22 Cb 0.23 -2.16 -0.02 0.00 1.43 0.00 0.00 31.44 30.93 1v6f n GLU 22 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1v6f h LYS 23 N 0.00 0.72 -0.42 3.44 1.57 0.30 -2.94 116.57 119.24 1v6f h LYS 23 Ca 0.75 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 59.24 1v6f h LYS 23 Cb 2.15 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 34.39 1v6f h LYS 23 CO -0.57 0.85 0.15 -0.07 -0.57 0.00 0.00 179.45 179.24 1v6f h LEU 24 N 0.54 0.60 -0.44 2.94 3.38 0.31 -2.41 115.31 120.22 1v6f h LEU 24 Ca 0.10 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.98 1v6f h LEU 24 Cb 0.56 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 1v6f h LEU 24 CO 0.03 0.62 -0.08 0.03 0.09 0.00 0.00 178.44 179.13 1v6f h ARG 25 N 0.54 0.03 -0.59 1.13 3.08 -1.15 -0.34 114.38 117.08 1v6f h ARG 25 Ca 0.14 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1v6f h ARG 25 Cb 0.22 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1v6f h ARG 25 CO -0.01 0.02 0.26 0.87 -1.07 0.00 0.00 179.97 180.04 1v6f h LYS 26 N 0.03 0.84 -0.56 0.04 1.79 -1.38 -2.20 116.57 115.13 1v6f h LYS 26 Ca 0.22 -0.11 0.10 0.00 -2.18 0.00 0.00 60.65 58.67 1v6f h LYS 26 Cb 0.33 -0.16 -0.08 0.00 -1.58 0.00 0.00 32.23 30.75 1v6f h LYS 26 CO -0.43 0.67 0.14 0.35 -1.08 0.00 0.00 179.45 179.09 1v6f h PHE 27 N 0.83 0.22 -0.23 -1.35 3.04 -0.55 1.23 116.94 120.13 1v6f h PHE 27 Ca 0.20 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 62.07 1v6f h PHE 27 Cb 0.12 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.61 1v6f h PHE 27 CO 0.01 0.00 -0.31 0.00 -2.02 0.00 0.00 178.31 175.99 1v6f h ARG 28 N 0.28 0.62 -0.97 1.11 2.47 -1.14 -3.17 114.38 113.57 1v6f h ARG 28 Ca 0.29 -0.36 -0.63 0.00 -1.26 0.00 0.00 59.98 58.02 1v6f h ARG 28 Cb 0.40 0.03 -0.30 0.00 -1.65 0.00 0.00 29.97 28.45 1v6f h ARG 28 CO -0.35 0.97 0.73 1.19 0.56 0.00 0.00 179.97 183.06 1v6f n PHE 29 N -4.30 3.14 -2.80 3.04 3.72 -0.81 -4.99 117.46 114.47 1v6f n PHE 29 Ca -0.05 -2.72 -0.39 0.00 -0.05 0.00 0.00 57.45 54.24 1v6f n PHE 29 Cb 0.48 -1.28 -0.06 0.00 -0.94 0.00 0.00 39.48 37.68 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 -3.70 4.74 -0.55 -1.08 1.70 0.42 -4.87 118.95 115.61 1v6f s ARG 30 Ca 0.62 1.39 0.01 0.00 -0.47 0.00 0.00 55.73 57.28 1v6f s ARG 30 Cb 0.50 -3.15 0.44 0.00 -0.57 0.00 0.00 34.95 32.17 1v6f s ARG 30 CO 0.02 0.47 1.70 1.63 -1.08 0.00 0.00 175.30 178.04 1v6f n LYS 31 N 1.26 3.05 -4.93 3.89 4.76 -1.26 -4.97 118.16 119.95 1v6f n LYS 31 Ca -0.02 -3.67 -0.33 0.00 -2.87 0.00 0.00 58.31 51.43 1v6f n LYS 31 Cb 0.48 -2.28 -0.15 0.00 -1.84 0.00 0.00 35.03 31.24 1v6f n LYS 31 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1v6f s GLU 32 N -3.76 3.07 0.05 1.97 0.41 -1.26 -5.03 118.70 114.15 1v6f s GLU 32 Ca 0.58 -0.75 -0.20 0.00 -0.41 0.00 0.00 54.97 54.20 1v6f s GLU 32 Cb 0.46 -2.47 -0.13 0.00 -1.78 0.00 0.00 34.13 30.21 1v6f s GLU 32 CO -0.04 0.30 1.38 1.15 -0.49 0.00 0.00 175.26 177.56 1v6f h THR 33 N 5.22 1.33 -2.82 3.63 2.02 -2.05 -3.45 112.91 116.79 1v6f h THR 33 Ca -0.29 -1.23 -0.38 0.00 0.77 0.00 0.00 66.41 65.29 1v6f h THR 33 Cb 1.20 1.78 0.21 0.00 -1.74 0.00 0.00 68.15 69.60 1v6f h THR 33 CO 0.52 0.36 -0.22 0.00 0.37 0.00 0.00 175.52 176.56 1v6f n HIS 34 N -4.57 -2.72 -2.20 3.16 1.44 -1.26 -5.03 115.22 104.03 1v6f n HIS 34 Ca -0.06 -0.46 -0.17 0.00 -2.01 0.00 0.00 57.72 55.02 1v6f n HIS 34 Cb 0.34 -1.47 0.10 0.00 0.12 0.00 0.00 29.99 29.09 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 -4.70 0.64 -3.58 4.39 4.13 -1.26 -4.84 115.26 110.04 1v6f n ASN 35 Ca 0.08 -1.63 -0.08 0.00 1.68 0.00 0.00 54.58 54.64 1v6f n ASN 35 Cb 0.55 -0.53 -0.02 0.00 -1.54 0.00 0.00 39.78 38.25 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 -3.36 -1.72 -0.25 5.41 0.00 -1.26 -1.17 121.76 119.41 1v6f s ALA 36 Ca 0.48 0.64 -0.09 0.00 0.00 0.00 0.00 51.96 52.98 1v6f s ALA 36 Cb -0.02 0.57 0.11 0.00 0.00 0.00 0.00 23.12 23.77 1v6f s ALA 36 CO 0.32 -0.81 0.55 0.00 0.00 0.00 0.00 175.76 175.81 1v6f s ALA 37 N -3.30 -1.62 -0.23 0.00 0.00 -0.65 -3.28 121.76 112.68 1v6f s ALA 37 Ca 0.07 1.96 -0.05 0.00 0.00 0.00 0.00 51.96 53.95 1v6f s ALA 37 Cb -0.01 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 1v6f s ALA 37 CO -0.06 -0.78 -0.01 0.42 0.00 0.00 0.00 175.76 175.33 1v6f s ILE 38 N 2.60 3.56 -0.07 0.00 1.01 -0.97 -0.23 121.20 127.09 1v6f s ILE 38 Ca -0.05 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.02 1v6f s ILE 38 Cb -0.11 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 1v6f s ILE 38 CO -0.16 0.36 0.23 -0.63 0.00 0.00 0.00 174.94 174.74 1v6f s ILE 39 N 1.50 5.35 0.01 2.92 1.01 -0.88 -0.84 121.20 130.26 1v6f s ILE 39 Ca 0.05 0.38 0.02 0.00 0.00 0.00 0.00 60.65 61.10 1v6f s ILE 39 Cb -0.15 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 1v6f s ILE 39 CO -0.02 0.58 -0.08 -0.04 0.00 0.00 0.00 174.94 175.39 1v6f s MET 40 N -1.13 0.59 0.18 2.79 -1.94 0.53 -0.59 119.30 119.73 1v6f s MET 40 Ca 0.19 -0.40 0.03 0.00 -1.71 0.00 0.00 55.69 53.80 1v6f s MET 40 Cb -0.13 -0.54 -0.05 0.00 2.01 0.00 0.00 34.83 36.12 1v6f s MET 40 CO 0.08 0.14 -0.02 -1.59 -0.01 0.00 0.00 175.02 173.62 1v6f s LYS 41 N -0.53 1.16 -0.16 2.03 0.00 -1.12 -1.65 119.74 119.47 1v6f s LYS 41 Ca 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 55.97 54.38 1v6f s LYS 41 Cb -0.05 -0.43 -0.03 0.00 0.00 0.00 0.00 37.83 37.32 1v6f s LYS 41 CO 0.00 -0.08 -0.02 0.42 0.00 0.00 0.00 175.35 175.67 1v6f s ILE 42 N -3.53 4.07 0.55 3.79 1.01 -1.26 -2.17 121.20 123.66 1v6f s ILE 42 Ca 0.23 -0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.49 1v6f s ILE 42 Cb 0.05 -2.79 0.13 0.00 0.01 0.00 0.00 42.46 39.86 1v6f s ILE 42 CO 0.04 0.49 0.67 -0.67 0.00 0.00 0.00 174.94 175.47 1v6f n ASP 43 N 3.48 -0.38 -0.05 3.58 2.03 -1.23 -4.90 116.55 119.07 1v6f n ASP 43 Ca -0.17 -1.14 -0.08 0.00 0.52 0.00 0.00 54.79 53.92 1v6f n ASP 43 Cb 0.52 -0.53 -0.05 0.00 -0.72 0.00 0.00 41.12 40.34 1v6f n ASP 43 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1v6f n LYS 44 N -2.69 0.27 0.18 -0.67 0.00 -1.26 -3.69 118.16 110.30 1v6f n LYS 44 Ca 0.09 0.06 -0.07 0.00 0.00 0.00 0.00 58.31 58.39 1v6f n LYS 44 Cb 0.30 -1.20 -0.03 0.00 0.00 0.00 0.00 35.03 34.10 1v6f n LYS 44 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1v6f h ASP 45 N -0.01 -0.40 0.14 3.14 3.32 -2.01 -3.32 116.42 117.29 1v6f h ASP 45 Ca -0.24 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1v6f h ASP 45 Cb 1.37 0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.02 1v6f h ASP 45 CO -0.04 -0.24 -0.48 -0.62 -1.72 0.00 0.00 179.24 176.13 1v6f n GLU 46 N -3.49 0.73 -4.20 3.56 4.71 -1.26 -4.98 120.64 115.71 1v6f n GLU 46 Ca -0.06 -0.54 -0.39 0.00 -0.01 0.00 0.00 57.16 56.17 1v6f n GLU 46 Cb 0.19 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.08 1v6f n GLU 46 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1v6f n ARG 47 N -0.67 -0.57 -5.24 3.49 3.00 -1.24 -4.93 116.66 110.50 1v6f n ARG 47 Ca 0.09 0.07 -0.30 0.00 -0.01 0.00 0.00 57.85 57.70 1v6f n ARG 47 Cb 0.39 -3.00 -0.16 0.00 0.00 0.00 0.00 32.46 29.69 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 -7.43 2.05 -0.24 0.55 2.96 -1.26 -4.40 118.68 110.90 1v6f s LEU 48 Ca 0.24 -0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 53.41 1v6f s LEU 48 Cb -0.13 -1.28 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 1v6f s LEU 48 CO 0.98 0.30 1.72 -0.69 -1.32 0.00 0.00 176.35 177.35 1v6f s VAL 49 N -0.59 3.56 0.25 1.68 1.01 -0.56 -3.49 120.40 122.25 1v6f s VAL 49 Ca 0.10 0.61 0.11 0.00 0.00 0.00 0.00 61.98 62.79 1v6f s VAL 49 Cb -0.10 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1v6f s VAL 49 CO -0.01 -0.31 -0.19 0.68 0.00 0.00 0.00 175.10 175.27 1v6f s VAL 50 N 5.87 2.25 0.09 2.92 -7.23 -0.92 -1.57 120.40 121.80 1v6f s VAL 50 Ca 0.76 -2.31 -0.31 0.00 -1.81 0.00 0.00 61.98 58.32 1v6f s VAL 50 Cb -0.25 -2.20 -0.09 0.00 0.56 0.00 0.00 36.38 34.40 1v6f s VAL 50 CO 0.32 -0.42 1.66 -0.22 -0.31 0.00 0.00 175.10 176.13 1v6f s LEU 51 N -3.36 4.37 -0.19 1.32 1.98 -1.26 -2.78 118.68 118.76 1v6f s LEU 51 Ca 0.27 2.54 -0.09 0.00 -2.89 0.00 0.00 54.13 53.96 1v6f s LEU 51 Cb -0.04 -3.57 -0.21 0.00 0.66 0.00 0.00 46.19 43.03 1v6f s LEU 51 CO 0.12 -0.89 0.12 -0.67 -1.89 0.00 0.00 176.35 173.14 1v6f n ASP 52 N 5.39 2.02 -3.59 3.68 2.03 0.24 -4.91 116.55 121.41 1v6f n ASP 52 Ca 0.16 0.20 -0.05 0.00 0.52 0.00 0.00 54.79 55.62 1v6f n ASP 52 Cb 0.40 -0.78 -0.02 0.00 -0.72 0.00 0.00 41.12 39.99 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 -2.50 0.36 -0.14 -0.67 -1.05 -1.19 -5.00 118.70 108.50 1v6f s GLU 53 Ca -0.28 -0.13 0.01 0.00 -0.15 0.00 0.00 54.97 54.41 1v6f s GLU 53 Cb 0.08 0.16 0.02 0.00 -0.44 0.00 0.00 34.13 33.95 1v6f s GLU 53 CO 0.66 -0.16 -0.16 -1.21 0.95 0.00 0.00 175.26 175.34 1v6f s GLU 54 N -2.49 2.46 0.07 -4.83 2.02 -1.26 -2.07 118.70 112.60 1v6f s GLU 54 Ca 0.09 -0.63 0.03 0.00 0.02 0.00 0.00 54.97 54.48 1v6f s GLU 54 Cb -0.01 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 1v6f s GLU 54 CO -0.05 -0.16 0.05 -0.51 0.02 0.00 0.00 175.26 174.61 1v6f s LEU 55 N 1.24 3.69 0.04 1.80 1.43 0.68 -4.98 118.68 122.58 1v6f s LEU 55 Ca 0.00 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 1v6f s LEU 55 Cb -0.14 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 1v6f s LEU 55 CO -0.07 0.19 -0.10 -1.61 0.23 0.00 0.00 176.35 174.99 1v6f s GLU 56 N -2.24 0.63 -1.30 1.70 2.02 -1.26 -1.64 118.70 116.60 1v6f s GLU 56 Ca 0.27 -0.72 -0.18 0.00 0.02 0.00 0.00 54.97 54.35 1v6f s GLU 56 Cb -0.12 -0.51 0.02 0.00 0.10 0.00 0.00 34.13 33.62 1v6f s GLU 56 CO 0.19 0.11 0.53 0.41 0.02 0.00 0.00 175.26 176.52 1v6f n GLY 57 N 1.68 -0.61 3.83 -1.39 0.00 -0.32 -4.90 105.19 103.48 1v6f n GLY 57 Ca -0.21 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.63 0.00 -4.38 1.61 0.24 -1.26 -4.90 118.33 105.00 1v6f n VAL 58 Ca -0.19 -2.32 -0.21 0.00 -2.04 0.00 0.00 64.34 59.58 1v6f n VAL 58 Cb 0.62 0.18 -0.10 0.00 -1.47 0.00 0.00 33.84 33.06 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 -4.14 2.94 0.37 -1.34 0.01 -1.26 -4.76 113.70 105.52 1v6f s SER 59 Ca 0.20 -0.99 0.28 0.00 1.31 0.00 0.00 55.95 56.74 1v6f s SER 59 Cb -0.02 -0.19 1.15 0.00 0.21 0.00 0.00 66.02 67.17 1v6f s SER 59 CO 0.13 -0.07 1.82 1.55 0.41 0.00 0.00 173.24 177.07 1v6f h PRO 60 N 2.61 0.00 0.00 12.44 0.13 -1.93 0.13 132.00 145.38 1v6f h PRO 60 Ca -0.40 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.62 1v6f h PRO 60 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1v6f h PRO 60 CO 0.59 0.00 -1.72 -0.40 -0.23 0.00 0.00 178.00 176.24 1v6f n ASP 61 N -2.56 0.40 -0.03 1.44 5.68 -1.26 -3.93 116.55 116.28 1v6f n ASP 61 Ca 0.01 0.17 -0.05 0.00 -0.50 0.00 0.00 54.79 54.42 1v6f n ASP 61 Cb 0.25 1.02 -0.13 0.00 -1.14 0.00 0.00 41.12 41.11 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 -2.60 0.65 -0.01 0.11 -0.58 -1.03 -4.33 120.64 112.85 1v6f n GLU 62 Ca -0.10 0.12 -0.11 0.00 -0.42 0.00 0.00 57.16 56.65 1v6f n GLU 62 Cb 0.75 -1.68 -0.05 0.00 -0.57 0.00 0.00 31.44 29.89 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 0.00 0.13 -1.66 -4.62 5.85 -0.94 -2.36 115.31 111.72 1v6f h LEU 63 Ca -0.32 -0.07 0.22 0.00 0.84 0.00 0.00 57.88 58.54 1v6f h LEU 63 Cb 1.89 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.83 1v6f h LEU 63 CO 0.05 0.17 0.60 0.07 -0.34 0.00 0.00 178.44 178.99 1v6f h LYS 64 N 0.09 0.27 -0.15 1.25 2.10 -1.76 0.36 116.57 118.73 1v6f h LYS 64 Ca 0.04 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.62 1v6f h LYS 64 Cb 0.06 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1v6f h LYS 64 CO -0.01 0.18 -0.14 -0.44 -2.00 0.00 0.00 179.45 177.04 1v6f h ASP 65 N 0.28 0.23 -0.33 7.07 3.32 -1.62 -1.48 116.42 123.89 1v6f h ASP 65 Ca 0.45 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1v6f h ASP 65 Cb 1.33 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1v6f h ASP 65 CO -0.13 0.40 0.00 -0.62 -1.72 0.00 0.00 179.24 177.17 1v6f n GLU 66 N -4.26 2.15 -4.29 3.56 -0.58 0.13 -4.87 120.64 112.48 1v6f n GLU 66 Ca -0.01 -1.34 -0.28 0.00 -0.42 0.00 0.00 57.16 55.11 1v6f n GLU 66 Cb 0.28 -1.46 -0.10 0.00 -0.57 0.00 0.00 31.44 29.58 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 -1.10 2.88 0.07 -4.62 1.43 -0.56 -5.10 118.68 111.69 1v6f s LEU 67 Ca 0.24 -0.56 -0.31 0.00 -1.03 0.00 0.00 54.13 52.48 1v6f s LEU 67 Cb 0.15 -1.63 -0.07 0.00 0.03 0.00 0.00 46.19 44.67 1v6f s LEU 67 CO 0.13 0.14 1.39 -2.16 0.23 0.00 0.00 176.35 176.08 1v6f s PRO 68 N -2.53 4.31 -0.14 1.29 0.04 -1.26 -4.91 135.00 131.79 1v6f s PRO 68 Ca 0.22 2.03 0.18 0.00 0.04 0.00 0.00 61.00 63.47 1v6f s PRO 68 Cb -0.10 -3.38 0.74 0.00 0.04 0.00 0.00 34.50 31.80 1v6f s PRO 68 CO 0.13 -0.49 1.65 -0.85 0.04 0.00 0.00 177.00 177.49 1v6f n GLU 69 N 4.52 3.97 0.00 4.56 0.28 -1.26 -4.26 120.64 128.44 1v6f n GLU 69 Ca 0.12 -2.95 0.00 0.00 -0.16 0.00 0.00 57.16 54.17 1v6f n GLU 69 Cb 0.43 -1.97 0.00 0.00 1.43 0.00 0.00 31.44 31.33 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 1.00 2.53 -4.53 3.44 1.74 -1.26 -4.69 116.66 114.89 1v6f n ARG 70 Ca 0.26 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.10 1v6f n ARG 70 Cb 0.95 -0.84 -0.14 0.00 -1.02 0.00 0.00 32.46 31.41 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 -1.69 1.25 0.04 5.56 -0.21 -1.26 -3.81 119.66 119.54 1v6f s GLN 71 Ca 0.00 -0.93 -0.30 0.00 0.02 0.00 0.00 55.36 54.15 1v6f s GLN 71 Cb 0.00 -1.36 -0.06 0.00 1.00 0.00 0.00 33.01 32.58 1v6f s GLN 71 CO 0.00 0.34 1.42 -1.25 -2.12 0.00 0.00 175.29 173.68 1v6f s PRO 72 N -1.26 4.29 0.16 2.91 0.04 -1.26 -4.61 135.00 135.28 1v6f s PRO 72 Ca 0.06 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.19 1v6f s PRO 72 Cb -0.09 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 1v6f s PRO 72 CO 0.02 -0.55 -0.13 0.50 0.04 0.00 0.00 177.00 176.88 1v6f s ARG 73 N 2.08 1.16 -0.12 4.56 6.06 -0.37 -4.98 118.95 127.34 1v6f s ARG 73 Ca 0.65 -1.46 -0.08 0.00 -2.50 0.00 0.00 55.73 52.34 1v6f s ARG 73 Cb -0.34 -0.87 -0.04 0.00 0.06 0.00 0.00 34.95 33.76 1v6f s ARG 73 CO 0.28 0.14 0.16 -0.06 -2.50 0.00 0.00 175.30 173.32 1v6f s PHE 74 N -2.94 3.60 -0.12 5.12 0.08 -0.66 -2.43 117.98 120.62 1v6f s PHE 74 Ca 0.17 0.55 -0.10 0.00 0.12 0.00 0.00 56.93 57.67 1v6f s PHE 74 Cb -0.00 -1.98 0.04 0.00 -0.57 0.00 0.00 43.02 40.50 1v6f s PHE 74 CO 0.03 0.70 0.32 0.42 -0.10 0.00 0.00 175.22 176.59 1v6f s ILE 75 N -0.93 -0.01 -0.34 0.64 1.09 -1.19 -0.35 121.20 120.12 1v6f s ILE 75 Ca 0.15 0.03 0.03 0.00 -1.10 0.00 0.00 60.65 59.76 1v6f s ILE 75 Cb -0.12 -0.46 0.09 0.00 -1.06 0.00 0.00 42.46 40.92 1v6f s ILE 75 CO 0.04 0.01 0.04 -0.69 -0.10 0.00 0.00 174.94 174.25 1v6f s VAL 76 N 0.41 2.37 0.24 2.92 1.01 -0.02 -1.96 120.40 125.37 1v6f s VAL 76 Ca -0.02 -2.22 0.05 0.00 0.00 0.00 0.00 61.98 59.79 1v6f s VAL 76 Cb -0.04 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1v6f s VAL 76 CO -0.02 -0.53 0.36 -0.47 0.00 0.00 0.00 175.10 174.44 1v6f s TYR 77 N 0.95 3.43 -0.36 5.22 5.04 -1.19 -2.29 117.35 128.15 1v6f s TYR 77 Ca 0.08 -0.03 -0.00 0.00 -2.44 0.00 0.00 57.07 54.68 1v6f s TYR 77 Cb -0.19 -1.58 0.12 0.00 0.35 0.00 0.00 41.96 40.65 1v6f s TYR 77 CO -0.07 0.43 0.16 0.45 -1.34 0.00 0.00 175.55 175.18 1v6f s SER 78 N -3.98 3.67 0.93 4.32 0.15 -1.20 -2.41 113.70 115.17 1v6f s SER 78 Ca 0.34 -2.01 -0.12 0.00 0.70 0.00 0.00 55.95 54.86 1v6f s SER 78 Cb -0.09 -0.78 0.15 0.00 -1.71 0.00 0.00 66.02 63.59 1v6f s SER 78 CO 0.29 -0.35 1.12 -0.47 1.20 0.00 0.00 173.24 175.02 1v6f s TYR 79 N 1.18 2.39 -0.35 3.44 5.04 -1.25 -4.55 117.35 123.25 1v6f s TYR 79 Ca 0.14 0.95 -0.05 0.00 -2.44 0.00 0.00 57.07 55.67 1v6f s TYR 79 Cb -0.20 -3.31 0.06 0.00 0.35 0.00 0.00 41.96 38.86 1v6f s TYR 79 CO -0.14 -2.50 0.11 0.21 -1.34 0.00 0.00 175.55 171.89 1v6f s LYS 80 N -5.14 2.47 -0.51 4.97 2.20 -1.26 -3.43 119.74 119.04 1v6f s LYS 80 Ca 0.64 -1.33 -0.18 0.00 -0.36 0.00 0.00 55.97 54.74 1v6f s LYS 80 Cb -0.16 -3.44 0.07 0.00 -1.51 0.00 0.00 37.83 32.79 1v6f s LYS 80 CO 0.55 -0.75 0.58 -0.47 -0.36 0.00 0.00 175.35 174.90 1v6f s TYR 81 N 1.32 3.10 0.03 4.03 6.14 0.41 -4.97 117.35 127.40 1v6f s TYR 81 Ca -0.01 -0.74 -0.21 0.00 0.64 0.00 0.00 57.07 56.75 1v6f s TYR 81 Cb -0.20 -3.55 -0.06 0.00 0.42 0.00 0.00 41.96 38.57 1v6f s TYR 81 CO 0.01 -1.02 0.62 -1.14 0.64 0.00 0.00 175.55 174.66 1v6f s GLN 82 N 2.35 4.34 -0.16 4.97 -0.44 -1.26 -1.99 119.66 127.46 1v6f s GLN 82 Ca 0.11 0.81 -0.06 0.00 -2.50 0.00 0.00 55.36 53.72 1v6f s GLN 82 Cb -0.22 -3.32 -0.04 0.00 -1.64 0.00 0.00 33.01 27.79 1v6f s GLN 82 CO 0.09 0.41 0.04 -1.01 0.50 0.00 0.00 175.29 175.32 1v6f s HIS 83 N -0.38 3.21 0.25 1.67 3.76 0.36 -4.99 115.29 119.17 1v6f s HIS 83 Ca 0.32 0.02 -0.10 0.00 -0.15 0.00 0.00 55.06 55.15 1v6f s HIS 83 Cb -0.19 -2.02 0.37 0.00 1.11 0.00 0.00 32.58 31.86 1v6f s HIS 83 CO 0.19 0.17 1.46 -0.25 -0.85 0.00 0.00 174.74 175.46 1v6f n ASP 84 N 3.34 -0.41 -0.32 1.40 8.00 -1.26 0.12 116.55 127.41 1v6f n ASP 84 Ca -0.17 1.62 0.23 0.00 0.71 0.00 0.00 54.79 57.18 1v6f n ASP 84 Cb 0.52 -0.46 0.45 0.00 -0.02 0.00 0.00 41.12 41.62 1v6f n ASP 84 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1v6f h ASP 85 N 0.00 0.23 0.00 -2.24 5.19 -2.04 -3.44 116.42 114.11 1v6f h ASP 85 Ca 0.42 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 57.05 1v6f h ASP 85 Cb 0.65 0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.41 1v6f h ASP 85 CO -0.96 -0.26 0.00 0.61 -3.12 0.00 0.00 179.24 175.51 1v6f n GLY 86 N -1.32 3.37 3.77 2.75 0.00 0.33 -5.13 105.19 108.95 1v6f n GLY 86 Ca 0.31 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 3.78 -0.07 1.61 3.00 -1.25 -4.66 118.95 121.37 1v6f s ARG 87 Ca 0.00 1.90 -0.04 0.00 -1.00 0.00 0.00 55.73 56.59 1v6f s ARG 87 Cb 0.00 -2.50 0.03 0.00 0.00 0.00 0.00 34.95 32.48 1v6f s ARG 87 CO 0.00 -0.57 0.16 0.54 0.00 0.00 0.00 175.30 175.43 1v6f s VAL 88 N -1.44 -0.02 0.21 7.11 0.11 -1.26 -0.49 120.40 124.62 1v6f s VAL 88 Ca 0.62 0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.81 1v6f s VAL 88 Cb -0.32 -0.25 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1v6f s VAL 88 CO 0.39 0.04 -0.07 -0.55 -3.33 0.00 0.00 175.10 171.58 1v6f s SER 89 N 0.65 2.16 -0.58 3.54 0.15 -0.84 -4.96 113.70 113.82 1v6f s SER 89 Ca -0.05 -1.12 -0.03 0.00 0.70 0.00 0.00 55.95 55.46 1v6f s SER 89 Cb -0.06 -0.06 0.15 0.00 -1.71 0.00 0.00 66.02 64.34 1v6f s SER 89 CO -0.03 -0.36 0.39 -0.31 1.20 0.00 0.00 173.24 174.12 1v6f s TYR 90 N -3.22 3.44 -0.01 3.44 2.02 -1.26 -0.45 117.35 121.32 1v6f s TYR 90 Ca 0.24 -2.66 -0.30 0.00 -0.37 0.00 0.00 57.07 53.98 1v6f s TYR 90 Cb 0.03 -3.20 -0.06 0.00 -0.40 0.00 0.00 41.96 38.34 1v6f s TYR 90 CO 0.07 -0.87 1.45 -1.25 -1.57 0.00 0.00 175.55 173.39 1v6f s PRO 91 N 0.19 4.26 -0.10 -1.71 0.04 -1.22 -4.82 135.00 131.64 1v6f s PRO 91 Ca 0.15 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 1v6f s PRO 91 Cb -0.21 -3.63 -0.02 0.00 0.04 0.00 0.00 34.50 30.68 1v6f s PRO 91 CO -0.03 -0.63 1.11 -0.51 0.04 0.00 0.00 177.00 176.97 1v6f s LEU 92 N 2.68 4.24 0.17 -3.56 2.01 -1.26 -3.79 118.68 119.17 1v6f s LEU 92 Ca 0.66 1.65 0.09 0.00 0.01 0.00 0.00 54.13 56.53 1v6f s LEU 92 Cb -0.32 -3.55 -0.04 0.00 0.01 0.00 0.00 46.19 42.28 1v6f s LEU 92 CO 0.27 -0.55 -0.19 0.00 1.01 0.00 0.00 176.35 176.89 1v6f s PHE 94 N -2.02 3.24 -0.46 0.00 2.19 0.38 -3.15 117.98 118.16 1v6f s PHE 94 Ca 0.17 -1.04 -0.15 0.00 0.33 0.00 0.00 56.93 56.25 1v6f s PHE 94 Cb -0.06 -2.41 0.07 0.00 -1.31 0.00 0.00 43.02 39.31 1v6f s PHE 94 CO 0.07 -0.66 0.38 0.42 1.83 0.00 0.00 175.22 177.26 1v6f s ILE 95 N 1.53 5.13 -0.97 3.12 1.01 -0.83 0.14 121.20 130.34 1v6f s ILE 95 Ca 0.01 -1.07 -0.21 0.00 0.00 0.00 0.00 60.65 59.39 1v6f s ILE 95 Cb -0.19 -4.06 0.09 0.00 0.01 0.00 0.00 42.46 38.31 1v6f s ILE 95 CO 0.06 -0.55 1.27 0.12 0.00 0.00 0.00 174.94 175.84 1v6f s PHE 96 N 1.62 2.84 -0.58 3.97 5.36 -0.05 -3.19 117.98 127.95 1v6f s PHE 96 Ca 0.04 -1.12 -0.26 0.00 -0.96 0.00 0.00 56.93 54.62 1v6f s PHE 96 Cb -0.24 -4.47 -0.03 0.00 -0.34 0.00 0.00 43.02 37.94 1v6f s PHE 96 CO 0.06 -1.70 1.96 0.45 -1.46 0.00 0.00 175.22 174.54 1v6f s SER 97 N 4.25 5.12 -0.32 6.13 0.15 -1.02 -2.12 113.70 125.89 1v6f s SER 97 Ca 0.39 0.49 0.03 0.00 0.70 0.00 0.00 55.95 57.56 1v6f s SER 97 Cb -0.03 -2.52 0.09 0.00 -1.71 0.00 0.00 66.02 61.85 1v6f s SER 97 CO -0.09 -2.46 0.03 -0.94 1.20 0.00 0.00 173.24 170.97 1v6f s SER 98 N 8.84 4.61 -0.02 5.45 1.04 0.20 -1.23 113.70 132.58 1v6f s SER 98 Ca 0.73 -1.97 -0.30 0.00 0.48 0.00 0.00 55.95 54.89 1v6f s SER 98 Cb -0.14 -1.52 -0.05 0.00 0.10 0.00 0.00 66.02 64.41 1v6f s SER 98 CO 0.22 -0.35 1.47 -2.16 0.98 0.00 0.00 173.24 173.39 1v6f s PRO 99 N 1.02 4.25 0.52 4.02 0.04 -1.26 -2.58 135.00 141.01 1v6f s PRO 99 Ca 0.08 2.02 0.38 0.00 0.04 0.00 0.00 61.00 63.52 1v6f s PRO 99 Cb -0.19 -3.68 1.54 0.00 0.04 0.00 0.00 34.50 32.21 1v6f s PRO 99 CO -0.09 -0.66 1.71 -0.39 0.04 0.00 0.00 177.00 177.60 1v6f h VAL 100 N 5.10 0.27 0.00 -0.36 -1.51 -0.59 0.59 116.25 119.75 1v6f h VAL 100 Ca -0.37 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1v6f h VAL 100 Cb 1.17 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1v6f h VAL 100 CO 0.92 0.01 0.00 0.61 -1.23 0.00 0.00 177.57 177.88 1v6f n GLY 101 N -1.74 1.75 3.97 5.19 0.00 -1.26 -4.84 105.19 108.26 1v6f n GLY 101 Ca 0.32 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.08 3.48 0.05 0.00 -2.85 -1.26 -5.03 119.74 110.06 1v6f s LYS 103 Ca 0.38 -0.40 -0.19 0.00 -1.00 0.00 0.00 55.97 54.76 1v6f s LYS 103 Cb -0.09 -2.72 -0.13 0.00 -2.06 0.00 0.00 37.83 32.83 1v6f s LYS 103 CO 0.30 0.22 1.36 -1.00 0.10 0.00 0.00 175.35 176.33 1v6f h PRO 104 N 0.94 0.43 -1.68 1.78 0.13 -1.99 -2.60 132.00 129.00 1v6f h PRO 104 Ca -0.50 -0.22 0.49 0.00 -0.87 0.00 0.00 66.00 64.90 1v6f h PRO 104 Cb 1.22 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 1v6f h PRO 104 CO 0.62 0.79 1.21 1.49 -0.23 0.00 0.00 178.00 181.88 1v6f h GLU 105 N 0.08 0.00 0.03 0.86 4.81 -2.01 0.14 114.58 118.49 1v6f h GLU 105 Ca 0.03 -0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.97 1v6f h GLU 105 Cb 0.71 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 1v6f h GLU 105 CO 0.04 0.00 -1.59 1.04 -0.73 0.00 0.00 179.01 177.77 1v6f n GLN 106 N -4.04 0.61 -0.37 1.92 6.02 -1.17 -3.92 117.38 116.43 1v6f n GLN 106 Ca 0.38 0.46 0.29 0.00 -0.01 0.00 0.00 57.00 58.12 1v6f n GLN 106 Cb 1.73 -1.71 0.56 0.00 1.02 0.00 0.00 30.24 31.84 1v6f n GLN 106 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1v6f h GLN 107 N -0.74 0.23 0.10 -1.09 1.08 -0.36 0.21 115.11 114.54 1v6f h GLN 107 Ca -0.41 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 56.77 1v6f h GLN 107 Cb 1.52 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.90 1v6f h GLN 107 CO -0.16 0.15 -0.05 0.52 -0.95 0.00 0.00 178.83 178.34 1v6f h MET 108 N 0.23 -0.13 -0.25 1.46 0.00 -1.48 0.71 114.93 115.48 1v6f h MET 108 Ca 0.74 0.01 0.04 0.00 0.00 0.00 0.00 59.70 60.49 1v6f h MET 108 Cb 2.01 0.03 -0.04 0.00 0.00 0.00 0.00 31.60 33.61 1v6f h MET 108 CO -0.47 0.25 0.03 1.98 0.00 0.00 0.00 176.91 178.69 1v6f h MET 109 N -0.54 0.11 -0.24 1.72 1.85 -0.81 -1.73 114.93 115.28 1v6f h MET 109 Ca -0.01 -0.01 -0.18 0.00 -0.61 0.00 0.00 59.70 58.89 1v6f h MET 109 Cb 0.44 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.45 1v6f h MET 109 CO 0.02 0.07 -0.56 1.88 -0.40 0.00 0.00 176.91 177.92 1v6f h TYR 110 N 0.11 1.04 0.01 1.39 0.05 -0.98 -2.55 116.97 116.04 1v6f h TYR 110 Ca 0.12 -0.39 0.00 0.00 0.05 0.00 0.00 58.73 58.51 1v6f h TYR 110 Cb 0.13 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.69 1v6f h TYR 110 CO -0.18 1.21 -0.03 0.00 -1.05 0.00 0.00 178.16 178.11 1v6f h ALA 111 N 0.64 -0.60 0.16 3.88 0.00 0.78 0.47 119.26 124.59 1v6f h ALA 111 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1v6f h ALA 111 Cb 1.18 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 1v6f h ALA 111 CO 0.12 -0.61 -0.31 0.78 0.00 0.00 0.00 179.25 179.24 1v6f h GLY 112 N -0.04 -0.61 0.02 0.00 0.00 -1.45 -2.25 103.07 98.74 1v6f h GLY 112 Ca -0.00 0.36 0.19 0.00 0.00 0.00 0.00 47.33 47.88 1v6f h GLY 112 CO -0.01 -0.25 0.48 1.76 0.00 0.00 0.00 176.54 178.52 1v6f h SER 113 N -0.55 0.54 -0.12 0.19 0.02 -1.42 -1.82 113.55 110.37 1v6f h SER 113 Ca 0.02 0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 1v6f h SER 113 Cb 0.56 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.08 1v6f h SER 113 CO -0.15 0.14 -0.46 0.50 -1.14 0.00 0.00 176.83 175.73 1v6f h LYS 114 N 0.57 -0.51 -0.60 3.45 3.64 0.58 -2.62 116.57 121.08 1v6f h LYS 114 Ca 0.54 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 60.01 1v6f h LYS 114 Cb 0.91 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.78 1v6f h LYS 114 CO -0.44 -0.34 -0.36 -1.71 -2.27 0.00 0.00 179.45 174.34 1v6f n ASN 115 N -5.44 -0.64 -0.29 4.20 2.85 -0.69 0.52 115.26 115.77 1v6f n ASN 115 Ca -0.05 1.31 0.05 0.00 -0.11 0.00 0.00 54.58 55.79 1v6f n ASN 115 Cb 0.37 -0.26 0.14 0.00 1.24 0.00 0.00 39.78 41.28 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 0.02 -0.21 1.20 3.64 -1.52 0.49 116.57 120.19 1v6f h LYS 116 Ca 0.10 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1v6f h LYS 116 Cb 0.25 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.99 1v6f h LYS 116 CO -0.57 0.02 -0.30 -0.07 -2.27 0.00 0.00 179.45 176.26 1v6f h LEU 117 N 0.02 -0.95 -1.57 5.20 3.38 0.28 0.40 115.31 122.08 1v6f h LEU 117 Ca 0.43 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.56 1v6f h LEU 117 Cb 0.73 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1v6f h LEU 117 CO -0.83 -0.33 0.37 0.58 0.09 0.00 0.00 178.44 178.32 1v6f h VAL 118 N -0.33 0.00 0.02 1.22 2.07 -0.26 0.26 116.25 119.24 1v6f h VAL 118 Ca 0.12 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.28 1v6f h VAL 118 Cb 0.52 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1v6f h VAL 118 CO -0.40 0.00 -2.18 0.00 0.02 0.00 0.00 177.57 175.01 1v6f n GLN 119 N -2.64 0.68 -0.05 1.57 1.13 0.11 -2.01 117.38 116.17 1v6f n GLN 119 Ca -0.02 0.16 -0.13 0.00 -1.94 0.00 0.00 57.00 55.07 1v6f n GLN 119 Cb 0.41 -1.62 -0.07 0.00 0.11 0.00 0.00 30.24 29.06 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 1.34 0.00 5.09 2.02 0.22 -3.01 112.91 118.59 1v6f h THR 120 Ca -0.47 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.44 1v6f h THR 120 Cb 2.06 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.35 1v6f h THR 120 CO 0.02 0.37 0.00 0.00 0.37 0.00 0.00 175.52 176.28 1v6f n ALA 121 N -2.41 2.20 -3.23 6.16 0.00 -0.14 -4.91 120.51 118.18 1v6f n ALA 121 Ca -0.06 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 1v6f n ALA 121 Cb 0.35 -1.44 0.08 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.72 -4.95 -2.97 0.00 1.02 -1.14 -4.91 120.64 105.97 1v6f n GLU 122 Ca 0.06 0.77 -0.24 0.00 -0.02 0.00 0.00 57.16 57.73 1v6f n GLU 122 Cb 0.34 -5.50 0.01 0.00 -0.02 0.00 0.00 31.44 26.26 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 -5.72 3.70 0.00 -4.62 1.43 -0.85 -5.02 118.68 107.60 1v6f s LEU 123 Ca 0.11 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1v6f s LEU 123 Cb -0.01 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1v6f s LEU 123 CO 0.66 -0.61 0.00 0.35 0.23 0.00 0.00 176.35 176.98 1v6f n THR 124 N -2.08 0.00 -3.81 5.49 -2.24 -1.26 -4.89 114.28 105.49 1v6f n THR 124 Ca -0.00 -0.06 -0.29 0.00 -2.27 0.00 0.00 64.05 61.43 1v6f n THR 124 Cb 0.57 0.46 -0.13 0.00 -2.10 0.00 0.00 70.33 69.12 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 -1.31 1.71 -0.45 -0.78 3.01 -1.26 -5.06 119.74 115.59 1v6f s LYS 125 Ca 0.00 -2.46 -0.09 0.00 -1.01 0.00 0.00 55.97 52.40 1v6f s LYS 125 Cb 0.00 -2.80 0.10 0.00 -1.01 0.00 0.00 37.83 34.12 1v6f s LYS 125 CO 0.00 -1.18 0.31 0.54 0.51 0.00 0.00 175.35 175.53 1v6f s VAL 126 N -0.21 4.27 0.42 3.17 0.11 -1.26 -0.47 120.40 126.43 1v6f s VAL 126 Ca 0.20 -1.60 0.03 0.00 -2.93 0.00 0.00 61.98 57.67 1v6f s VAL 126 Cb -0.20 -3.72 -0.00 0.00 -1.53 0.00 0.00 36.38 30.93 1v6f s VAL 126 CO -0.04 -0.66 0.61 -0.36 -3.33 0.00 0.00 175.10 171.32 1v6f s PHE 127 N 1.40 3.16 -0.02 1.54 0.08 0.37 -4.86 117.98 119.65 1v6f s PHE 127 Ca 0.04 0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.15 1v6f s PHE 127 Cb -0.25 -2.23 0.02 0.00 -0.57 0.00 0.00 43.02 39.99 1v6f s PHE 127 CO 0.01 -0.27 0.01 -2.00 -0.10 0.00 0.00 175.22 172.87 1v6f s GLU 128 N -4.43 0.07 -0.08 0.44 2.12 -1.26 -0.87 118.70 114.68 1v6f s GLU 128 Ca 0.48 0.10 0.02 0.00 0.36 0.00 0.00 54.97 55.92 1v6f s GLU 128 Cb -0.10 -0.25 -0.02 0.00 0.26 0.00 0.00 34.13 34.02 1v6f s GLU 128 CO 0.35 -0.11 -0.13 0.96 -0.54 0.00 0.00 175.26 175.80 1v6f s ILE 129 N 0.75 3.12 -2.06 -3.70 -4.36 -0.90 -4.92 121.20 109.13 1v6f s ILE 129 Ca -0.07 -0.68 0.14 0.00 -0.26 0.00 0.00 60.65 59.79 1v6f s ILE 129 Cb -0.10 -2.26 0.37 0.00 1.25 0.00 0.00 42.46 41.73 1v6f s ILE 129 CO -0.02 0.56 1.47 -2.11 0.24 0.00 0.00 174.94 175.08 1v6f n ARG 130 N 2.80 1.25 -3.62 0.37 1.85 -1.23 -0.63 116.66 117.45 1v6f n ARG 130 Ca -0.18 -0.38 -0.02 0.00 -1.00 0.00 0.00 57.85 56.27 1v6f n ARG 130 Cb 0.52 -1.25 -0.06 0.00 -1.05 0.00 0.00 32.46 30.62 1v6f n ARG 130 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1v6f s ASN 131 N -1.39 -0.52 0.45 2.89 2.20 -1.07 0.18 114.94 117.69 1v6f s ASN 131 Ca 0.22 0.81 0.23 0.00 -0.94 0.00 0.00 52.86 53.18 1v6f s ASN 131 Cb 0.11 1.27 1.23 0.00 -2.00 0.00 0.00 41.25 41.85 1v6f s ASN 131 CO 0.17 -0.13 1.83 0.71 -2.94 0.00 0.00 177.10 176.74 1v6f h THR 132 N 5.06 0.56 -0.94 0.54 1.35 -1.85 0.15 112.91 117.79 1v6f h THR 132 Ca -0.27 -0.09 0.07 0.00 -0.55 0.00 0.00 66.41 65.57 1v6f h THR 132 Cb 1.18 0.27 -0.07 0.00 -1.73 0.00 0.00 68.15 67.80 1v6f h THR 132 CO 0.18 0.05 0.59 -0.33 -0.25 0.00 0.00 175.52 175.77 1v6f h GLU 133 N 0.27 1.03 -0.93 4.72 5.08 -1.95 -1.32 114.58 121.48 1v6f h GLU 133 Ca 0.52 -0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.97 1v6f h GLU 133 Cb 1.53 -0.23 -0.08 0.00 0.50 0.00 0.00 28.75 30.47 1v6f h GLU 133 CO -0.17 0.68 0.59 0.22 -1.00 0.00 0.00 179.01 179.34 1v6f h ASP 134 N 1.06 0.69 -0.91 1.42 1.82 -1.10 -3.38 116.42 116.02 1v6f h ASP 134 Ca 0.42 0.05 -0.29 0.00 -0.39 0.00 0.00 57.03 56.82 1v6f h ASP 134 Cb 0.21 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 1v6f h ASP 134 CO -0.19 0.33 1.07 -0.11 -1.61 0.00 0.00 179.24 178.73 1v6f n LEU 135 N -4.60 1.74 -4.14 2.28 7.94 -0.50 -4.68 117.00 115.04 1v6f n LEU 135 Ca 0.19 -0.83 -0.10 0.00 -1.11 0.00 0.00 56.01 54.16 1v6f n LEU 135 Cb 0.50 -1.50 -0.10 0.00 0.53 0.00 0.00 43.42 42.85 1v6f n LEU 135 CO 0.28 -1.90 -0.29 0.42 -1.11 0.00 0.00 177.39 174.78 1v6f s THR 136 N 12.27 0.10 0.14 1.96 -4.23 -1.25 -4.31 115.64 120.32 1v6f s THR 136 Ca 1.01 -1.89 -0.27 0.00 -1.18 0.00 0.00 61.69 59.36 1v6f s THR 136 Cb -0.28 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 1v6f s THR 136 CO 0.23 -0.48 1.60 -0.08 -0.54 0.00 0.00 174.62 175.35 1v6f h GLU 137 N 2.87 -0.40 -0.37 3.99 4.81 -1.89 -0.00 114.58 123.58 1v6f h GLU 137 Ca -0.35 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.97 1v6f h GLU 137 Cb 1.20 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.61 1v6f h GLU 137 CO 0.59 -0.26 -0.00 1.49 -0.73 0.00 0.00 179.01 180.09 1v6f h GLU 138 N -0.41 0.09 -0.47 1.92 4.81 -1.97 -2.04 114.58 116.52 1v6f h GLU 138 Ca 0.10 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 1v6f h GLU 138 Cb 0.58 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 1v6f h GLU 138 CO -0.40 0.06 0.10 2.35 -0.73 0.00 0.00 179.01 180.40 1v6f h TRP 139 N 0.10 0.16 -0.06 0.92 7.01 -1.64 -0.85 115.95 121.59 1v6f h TRP 139 Ca 0.18 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.23 1v6f h TRP 139 Cb 0.25 -0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.25 1v6f h TRP 139 CO -0.26 0.01 -0.53 1.25 -2.79 0.00 0.00 178.44 176.12 1v6f h LEU 140 N 0.24 -1.66 -2.10 0.65 5.85 -0.30 0.83 115.31 118.83 1v6f h LEU 140 Ca 0.23 0.19 0.03 0.00 0.84 0.00 0.00 57.88 59.18 1v6f h LEU 140 Cb 0.30 0.64 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1v6f h LEU 140 CO -0.30 -0.50 0.09 0.03 -0.34 0.00 0.00 178.44 177.42 1v6f h ARG 141 N -0.62 0.00 -0.39 1.25 3.08 -1.18 -1.85 114.38 114.66 1v6f h ARG 141 Ca 0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1v6f h ARG 141 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1v6f h ARG 141 CO -0.39 0.00 0.17 1.49 -1.07 0.00 0.00 179.97 180.17 1v6f h GLU 142 N 0.00 0.57 -0.50 0.04 4.57 0.59 0.39 114.58 120.25 1v6f h GLU 142 Ca 0.05 -0.09 -0.13 0.00 -1.18 0.00 0.00 59.36 58.01 1v6f h GLU 142 Cb 0.22 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1v6f h GLU 142 CO -0.00 0.52 -0.19 0.87 -1.18 0.00 0.00 179.01 179.03 1v6f h LYS 143 N 0.49 1.00 -0.19 1.92 1.79 -0.47 -1.70 116.57 119.42 1v6f h LYS 143 Ca 0.13 -0.42 -0.15 0.00 -2.18 0.00 0.00 60.65 58.04 1v6f h LYS 143 Cb 0.15 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1v6f h LYS 143 CO -0.01 1.10 -0.50 -0.07 -1.08 0.00 0.00 179.45 178.88 1v6f h LEU 144 N 0.86 0.57 -6.10 2.94 3.38 -1.25 -3.35 115.31 112.37 1v6f h LEU 144 Ca 0.12 -0.29 -0.59 0.00 0.09 0.00 0.00 57.88 57.21 1v6f h LEU 144 Cb 0.77 -0.16 -0.41 0.00 0.09 0.00 0.00 40.66 40.94 1v6f h LEU 144 CO 0.06 0.97 -0.76 0.61 0.09 0.00 0.00 178.44 179.42 1v6f n GLY 145 N 0.15 4.25 2.85 0.83 0.00 0.14 -4.93 105.19 108.47 1v6f n GLY 145 Ca -0.03 -2.40 -0.39 0.00 0.00 0.00 0.00 46.02 43.21 1v6f n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v6f n SER 146 N 0.96 7.33 0.00 1.61 2.88 -0.65 -4.68 113.62 121.07 1v6f n SER 146 Ca 0.27 -3.83 0.00 0.00 -1.33 0.00 0.00 58.87 53.98 1v6f n SER 146 Cb 0.45 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1v6f n SER 146 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v6f n GLY 147 N -0.56 -1.05 3.65 0.46 0.00 -1.26 -4.91 105.19 101.51 1v6f n GLY 147 Ca 0.53 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 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 -5.21 4.00 0.25 1.61 0.04 -1.26 -5.01 135.00 129.42 1v6f s PRO 148 Ca 0.00 1.84 0.08 0.00 0.04 0.00 0.00 61.00 62.96 1v6f s PRO 148 Cb 0.00 -3.97 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 1v6f s PRO 148 CO 0.00 -1.04 0.07 -1.54 0.04 0.00 0.00 177.00 174.53 1v6f s SER 149 N 3.53 4.92 -0.44 6.66 1.04 -1.26 -5.03 113.70 123.12 1v6f s SER 149 Ca 0.69 -0.48 -0.27 0.00 0.48 0.00 0.00 55.95 56.38 1v6f s SER 149 Cb -0.27 -1.07 -0.07 0.00 0.10 0.00 0.00 66.02 64.71 1v6f s SER 149 CO 0.27 -0.00 2.38 -1.20 0.98 0.00 0.00 173.24 175.66 1v6f n SER 150 N -0.92 2.47 0.00 7.02 7.64 -1.26 -5.26 113.62 123.32 1v6f n SER 150 Ca -0.07 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.49 1v6f n SER 150 Cb 0.58 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1v6f n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64