#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tvi s ILE 2 N 0.00 5.27 -0.21 3.17 1.09 -1.26 -4.82 121.20 124.44 1tvi s ILE 2 Ca 0.00 -0.04 -0.19 0.00 -1.10 0.00 0.00 60.65 59.32 1tvi s ILE 2 Cb 0.00 -3.61 -0.03 0.00 -1.06 0.00 0.00 42.46 37.76 1tvi s ILE 2 CO 0.00 0.18 0.54 -0.13 -0.10 0.00 0.00 174.94 175.43 1tvi s ARG 3 N -2.32 4.18 -0.29 2.79 0.52 -0.91 -5.03 118.95 117.89 1tvi s ARG 3 Ca 0.35 0.45 -0.01 0.00 -0.52 0.00 0.00 55.73 56.00 1tvi s ARG 3 Cb -0.13 -3.58 0.05 0.00 0.52 0.00 0.00 34.95 31.81 1tvi s ARG 3 CO 0.23 -0.20 -0.03 0.42 0.02 0.00 0.00 175.30 175.73 1tvi s ILE 4 N 1.81 2.79 0.26 1.52 1.01 -1.26 -1.26 121.20 126.06 1tvi s ILE 4 Ca 0.25 -1.41 0.07 0.00 0.00 0.00 0.00 60.65 59.56 1tvi s ILE 4 Cb -0.16 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1tvi s ILE 4 CO 0.10 -0.06 -0.09 -1.48 0.00 0.00 0.00 174.94 173.41 1tvi s LEU 5 N 1.23 2.51 0.00 2.97 2.34 0.18 -4.95 118.68 122.95 1tvi s LEU 5 Ca -0.06 -1.14 0.00 0.00 0.06 0.00 0.00 54.13 53.00 1tvi s LEU 5 Cb -0.19 -0.67 0.00 0.00 -0.56 0.00 0.00 46.19 44.76 1tvi s LEU 5 CO -0.02 -0.27 0.00 0.61 -1.06 0.00 0.00 176.35 175.60 1tvi n GLY 6 N -0.53 -2.59 2.93 -3.48 0.00 -1.26 -1.22 105.19 99.04 1tvi n GLY 6 Ca -0.06 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.02 1tvi n GLY 6 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tvi s GLU 7 N -0.47 0.25 0.00 1.61 2.02 0.20 -4.62 118.70 117.69 1tvi s GLU 7 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1tvi s GLU 7 Cb 0.00 -0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.02 1tvi s GLU 7 CO 0.00 0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.74 1tvi n GLY 8 N 2.87 4.85 3.31 -1.39 0.00 -1.26 -3.18 105.19 110.39 1tvi n GLY 8 Ca -0.13 -0.89 -0.50 0.00 0.00 0.00 0.00 46.02 44.49 1tvi n GLY 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1tvi n LYS 9 N -1.88 0.00 0.00 1.61 4.81 -1.26 -2.92 118.16 118.52 1tvi n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1tvi n LYS 9 Cb 0.00 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.58 1tvi n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tvi n GLY 10 N 6.88 1.07 0.16 3.14 0.00 -1.26 -4.68 105.19 110.51 1tvi n GLY 10 Ca 0.59 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 1tvi n GLY 10 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1tvi h SER 11 N 0.00 -0.36 0.06 1.61 0.87 -1.92 0.52 113.55 114.33 1tvi h SER 11 Ca 0.00 0.07 -0.27 0.00 -1.23 0.00 0.00 61.79 60.36 1tvi h SER 11 Cb 0.00 0.18 0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1tvi h SER 11 CO 0.00 -0.15 -1.11 0.07 -0.53 0.00 0.00 176.83 175.11 1tvi h LYS 12 N -0.14 0.64 -1.03 2.24 -0.00 -1.94 -3.07 116.57 113.27 1tvi h LYS 12 Ca 0.09 -0.77 0.28 0.00 -0.00 0.00 0.00 60.65 60.25 1tvi h LYS 12 Cb 0.26 0.24 -0.06 0.00 -0.00 0.00 0.00 32.23 32.67 1tvi h LYS 12 CO -0.21 1.34 0.72 1.25 -0.00 0.00 0.00 179.45 182.55 1tvi h LEU 13 N 0.28 0.15 -0.02 7.07 5.85 -1.85 0.34 115.31 127.13 1tvi h LEU 13 Ca -0.16 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 1tvi h LEU 13 Cb 1.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.81 1tvi h LEU 13 CO 0.21 0.04 -0.17 0.25 -0.34 0.00 0.00 178.44 178.43 1tvi h LEU 14 N 0.14 0.19 -1.72 2.25 7.12 -0.84 -3.00 115.31 119.45 1tvi h LEU 14 Ca 0.52 -0.70 0.00 0.00 0.13 0.00 0.00 57.88 57.83 1tvi h LEU 14 Cb 1.80 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.87 1tvi h LEU 14 CO -0.09 0.86 0.40 -0.33 -0.13 0.00 0.00 178.44 179.15 1tvi h GLU 15 N -0.46 0.00 -0.00 1.25 5.08 -0.27 1.82 114.58 122.00 1tvi h GLU 15 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1tvi h GLU 15 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1tvi h GLU 15 CO 0.04 0.00 -0.12 -0.91 -1.00 0.00 0.00 179.01 177.01 1tvi h ASN 16 N 0.00 0.11 -0.82 1.42 4.21 -1.18 -3.34 115.58 115.98 1tvi h ASN 16 Ca 0.00 -0.77 -0.57 0.00 1.21 0.00 0.00 56.30 56.17 1tvi h ASN 16 Cb 0.80 -0.03 -0.41 0.00 -1.12 0.00 0.00 38.32 37.56 1tvi h ASN 16 CO 0.00 0.87 -0.62 0.00 -1.29 0.00 0.00 177.43 176.39 1tvi n LEU 17 N -4.61 5.24 0.13 1.61 -0.00 0.10 -4.76 117.00 114.70 1tvi n LEU 17 Ca -0.09 -4.72 -0.09 0.00 -0.00 0.00 0.00 56.01 51.10 1tvi n LEU 17 Cb 0.44 -0.42 -0.05 0.00 -0.00 0.00 0.00 43.42 43.39 1tvi n LEU 17 CO 0.36 2.05 0.27 0.50 -0.00 0.00 0.00 177.39 180.57 1tvi h LYS 18 N 2.19 -0.39 -0.61 1.47 3.11 0.25 -2.85 116.57 119.73 1tvi h LYS 18 Ca 0.39 0.03 0.06 0.00 -2.81 0.00 0.00 60.65 58.32 1tvi h LYS 18 Cb 1.42 0.09 -0.04 0.00 -1.00 0.00 0.00 32.23 32.70 1tvi h LYS 18 CO 0.86 -0.13 0.40 0.93 -2.81 0.00 0.00 179.45 178.70 1tvi h GLU 19 N -1.04 0.60 -0.97 1.90 5.08 -1.86 0.10 114.58 118.40 1tvi h GLU 19 Ca -0.04 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1tvi h GLU 19 Cb 0.43 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1tvi h GLU 19 CO 0.07 0.39 0.62 -0.22 -1.00 0.00 0.00 179.01 178.88 1tvi h LYS 20 N 0.61 1.13 0.00 2.33 3.11 -1.88 0.06 116.57 121.93 1tvi h LYS 20 Ca 0.26 -0.07 -0.17 0.00 -2.81 0.00 0.00 60.65 57.87 1tvi h LYS 20 Cb 0.25 -0.25 -0.02 0.00 -1.00 0.00 0.00 32.23 31.20 1tvi h LYS 20 CO -0.08 0.74 -0.80 -0.07 -2.81 0.00 0.00 179.45 176.44 1tvi h LEU 21 N 1.16 0.00 -2.05 5.20 3.38 -0.81 -3.02 115.31 119.17 1tvi h LEU 21 Ca 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.37 1tvi h LEU 21 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1tvi h LEU 21 CO -0.16 0.80 -0.02 -0.33 0.09 0.00 0.00 178.44 178.81 1tvi h GLU 22 N 0.00 0.00 0.08 1.13 5.08 0.97 -2.40 114.58 119.43 1tvi h GLU 22 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1tvi h GLU 22 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1tvi h GLU 22 CO 0.10 0.02 -0.04 0.93 -1.00 0.00 0.00 179.01 179.03 1tvi h GLU 23 N 0.00 -0.10 -0.72 2.33 5.08 -1.05 0.57 114.58 120.69 1tvi h GLU 23 Ca -0.00 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 1tvi h GLU 23 Cb 0.32 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 1tvi h GLU 23 CO 0.00 0.46 0.35 -0.84 -1.00 0.00 0.00 179.01 177.98 1tvi h ILE 24 N -0.85 0.82 -0.13 3.13 3.07 -1.56 0.47 117.51 122.45 1tvi h ILE 24 Ca -0.01 -0.20 -0.18 0.00 1.55 0.00 0.00 64.86 66.02 1tvi h ILE 24 Cb 0.60 0.18 0.01 0.00 -0.27 0.00 0.00 36.82 37.35 1tvi h ILE 24 CO 0.02 0.11 -0.62 1.62 -1.05 0.00 0.00 178.15 178.23 1tvi h VAL 25 N 0.59 1.32 -0.07 0.16 3.04 -1.50 -1.34 116.25 118.45 1tvi h VAL 25 Ca 0.36 -1.87 0.04 0.00 -1.01 0.00 0.00 66.70 64.22 1tvi h VAL 25 Cb 0.41 2.07 -0.05 0.00 -2.01 0.00 0.00 31.29 31.71 1tvi h VAL 25 CO -0.29 0.58 -0.25 0.50 -1.01 0.00 0.00 177.57 177.11 1tvi h LYS 26 N 0.32 -0.33 -0.02 4.17 3.64 0.14 0.75 116.57 125.24 1tvi h LYS 26 Ca -0.04 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1tvi h LYS 26 Cb 1.25 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1tvi h LYS 26 CO 0.13 -0.22 0.01 -0.22 -2.27 0.00 0.00 179.45 176.88 1tvi h LYS 27 N -0.35 0.03 -0.48 1.90 3.64 -0.16 -2.17 116.57 118.99 1tvi h LYS 27 Ca 0.08 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1tvi h LYS 27 Cb 0.46 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.20 1tvi h LYS 27 CO -0.27 0.04 -0.52 1.49 -2.27 0.00 0.00 179.45 177.91 1tvi h GLU 28 N 0.01 -0.29 0.00 1.90 4.57 -0.57 -3.43 114.58 116.78 1tvi h GLU 28 Ca 0.01 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1tvi h GLU 28 Cb 0.01 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1tvi h GLU 28 CO -0.00 -0.20 0.00 1.51 -1.18 0.00 0.00 179.01 179.14 1tvi n ILE 29 N -5.16 0.06 0.00 2.32 0.13 0.19 -5.09 119.36 111.80 1tvi n ILE 29 Ca -0.02 0.02 0.00 0.00 -1.10 0.00 0.00 62.75 61.64 1tvi n ILE 29 Cb 0.30 -0.49 0.00 0.00 -0.84 0.00 0.00 39.64 38.61 1tvi n ILE 29 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1tvi n GLY 30 N 1.60 -0.02 2.97 4.50 0.00 -0.80 -4.90 105.19 108.55 1tvi n GLY 30 Ca 0.00 0.24 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 1tvi n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tvi s ASP 31 N 0.00 0.36 0.00 1.61 -1.08 -1.26 -3.95 116.67 112.35 1tvi s ASP 31 Ca 0.00 -0.37 0.00 0.00 -0.52 0.00 0.00 52.55 51.66 1tvi s ASP 31 Cb 0.00 0.05 0.00 0.00 -1.46 0.00 0.00 42.92 41.51 1tvi s ASP 31 CO 0.00 -0.18 0.00 1.33 0.52 0.00 0.00 175.17 176.84 1tvi n VAL 32 N 2.00 0.00 -3.50 1.11 0.24 -1.26 -5.08 118.33 111.84 1tvi n VAL 32 Ca -0.20 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 61.83 1tvi n VAL 32 Cb 0.56 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.80 1tvi n VAL 32 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1tvi s HIS 33 N -0.82 0.25 -0.31 6.34 3.76 -1.26 -4.95 115.29 118.29 1tvi s HIS 33 Ca 0.00 -0.91 0.02 0.00 -0.15 0.00 0.00 55.06 54.03 1tvi s HIS 33 Cb 0.00 -0.81 0.09 0.00 1.11 0.00 0.00 32.58 32.97 1tvi s HIS 33 CO 0.00 -0.85 0.03 0.08 -0.85 0.00 0.00 174.74 173.15 1tvi s VAL 34 N 1.92 1.83 -0.49 -0.90 1.01 -1.26 -3.31 120.40 119.19 1tvi s VAL 34 Ca 0.11 -1.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.00 1tvi s VAL 34 Cb -0.17 -2.29 0.06 0.00 0.00 0.00 0.00 36.38 33.98 1tvi s VAL 34 CO -0.28 -0.50 0.56 0.20 0.00 0.00 0.00 175.10 175.08 1tvi s ASN 35 N 1.16 6.21 -0.07 3.32 0.01 -0.54 -2.14 114.94 122.88 1tvi s ASN 35 Ca 0.07 -0.96 -0.21 0.00 -0.71 0.00 0.00 52.86 51.05 1tvi s ASN 35 Cb -0.19 -2.26 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 1tvi s ASN 35 CO -0.12 -0.81 0.60 -0.69 -1.51 0.00 0.00 177.10 174.57 1tvi s VAL 36 N 2.37 5.07 -0.33 1.60 1.01 -0.39 0.56 120.40 130.30 1tvi s VAL 36 Ca 0.13 1.22 -0.02 0.00 0.00 0.00 0.00 61.98 63.31 1tvi s VAL 36 Cb -0.20 -3.93 0.07 0.00 0.00 0.00 0.00 36.38 32.31 1tvi s VAL 36 CO 0.11 0.31 0.06 -0.63 0.00 0.00 0.00 175.10 174.95 1tvi s ILE 37 N 0.53 3.07 -0.24 2.22 1.09 0.19 0.47 121.20 128.53 1tvi s ILE 37 Ca 0.32 -1.58 -0.25 0.00 -1.10 0.00 0.00 60.65 58.04 1tvi s ILE 37 Cb -0.17 -2.87 -0.00 0.00 -1.06 0.00 0.00 42.46 38.36 1tvi s ILE 37 CO 0.15 -0.27 0.86 -0.76 -0.10 0.00 0.00 174.94 174.82 1tvi s LEU 38 N 1.22 4.09 -0.04 2.97 1.43 -0.35 -0.28 118.68 127.71 1tvi s LEU 38 Ca -0.01 1.10 -0.03 0.00 -1.03 0.00 0.00 54.13 54.16 1tvi s LEU 38 Cb -0.20 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 42.79 1tvi s LEU 38 CO -0.02 -0.54 0.11 0.68 0.23 0.00 0.00 176.35 176.81 1tvi s VAL 39 N 2.87 -0.02 0.00 -1.59 -7.23 -0.67 0.59 120.40 114.35 1tvi s VAL 39 Ca 0.36 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 1tvi s VAL 39 Cb -0.15 -0.17 0.00 0.00 0.56 0.00 0.00 36.38 36.62 1tvi s VAL 39 CO 0.07 0.03 0.00 -1.20 -0.31 0.00 0.00 175.10 173.69 1tvi n SER 40 N 3.46 -0.46 -0.01 4.85 7.64 -1.26 -4.03 113.62 123.81 1tvi n SER 40 Ca -0.18 -0.24 -0.12 0.00 1.01 0.00 0.00 58.87 59.34 1tvi n SER 40 Cb 0.56 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.66 1tvi n SER 40 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1tvi h GLU 41 N 0.00 -0.06 -0.06 1.43 4.81 -1.95 -0.80 114.58 117.95 1tvi h GLU 41 Ca 0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1tvi h GLU 41 Cb 0.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1tvi h GLU 41 CO 0.00 0.55 -0.59 0.22 -0.73 0.00 0.00 179.01 178.46 1tvi h ASP 42 N -0.74 0.23 0.36 1.04 3.58 -1.98 0.45 116.42 119.36 1tvi h ASP 42 Ca -0.01 -0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.21 1tvi h ASP 42 Cb 0.63 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1tvi h ASP 42 CO 0.01 0.77 -0.45 -0.33 -2.88 0.00 0.00 179.24 176.36 1tvi h GLU 43 N 0.15 0.12 0.00 0.28 3.07 -1.90 -2.88 114.58 113.42 1tvi h GLU 43 Ca -0.00 -0.06 -0.25 0.00 -0.50 0.00 0.00 59.36 58.55 1tvi h GLU 43 Cb 1.08 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.95 1tvi h GLU 43 CO 0.09 0.55 -1.54 0.97 -1.40 0.00 0.00 179.01 177.67 1tvi h ILE 44 N 0.10 0.86 -0.57 3.13 2.10 -0.87 -2.94 117.51 119.32 1tvi h ILE 44 Ca 0.01 -2.61 0.12 0.00 1.08 0.00 0.00 64.86 63.45 1tvi h ILE 44 Cb 0.83 2.38 -0.11 0.00 -1.09 0.00 0.00 36.82 38.84 1tvi h ILE 44 CO 0.06 0.49 -0.11 0.50 -1.08 0.00 0.00 178.15 178.01 1tvi h LYS 45 N 0.00 0.02 0.00 2.19 3.11 0.12 0.50 116.57 122.51 1tvi h LYS 45 Ca -0.22 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.61 1tvi h LYS 45 Cb 1.88 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.11 1tvi h LYS 45 CO 0.08 0.01 -0.03 0.93 -2.81 0.00 0.00 179.45 177.63 1tvi h GLU 46 N 0.02 0.01 -1.19 1.90 5.08 -1.69 -3.27 114.58 115.44 1tvi h GLU 46 Ca 0.28 -0.02 0.38 0.00 -1.00 0.00 0.00 59.36 59.00 1tvi h GLU 46 Cb 0.43 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.56 1tvi h GLU 46 CO -0.57 0.97 0.75 1.25 -1.00 0.00 0.00 179.01 180.42 1tvi h LEU 47 N -0.94 0.33 0.06 1.33 7.12 -1.26 1.24 115.31 123.20 1tvi h LEU 47 Ca -0.01 0.14 -0.00 0.00 0.13 0.00 0.00 57.88 58.14 1tvi h LEU 47 Cb 0.99 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 1tvi h LEU 47 CO 0.01 -0.12 -0.03 -1.13 -0.13 0.00 0.00 178.44 177.03 1tvi h ASN 48 N 0.19 -0.07 0.89 1.25 -0.73 -0.07 -2.22 115.58 114.82 1tvi h ASN 48 Ca 0.76 -0.05 -0.06 0.00 1.87 0.00 0.00 56.30 58.81 1tvi h ASN 48 Cb 2.18 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 40.78 1tvi h ASN 48 CO -0.43 0.01 -0.28 -0.61 -0.37 0.00 0.00 177.43 175.75 1tvi h GLN 49 N -0.14 0.00 0.00 6.67 4.15 0.17 1.07 115.11 127.04 1tvi h GLN 49 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1tvi h GLN 49 Cb 0.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1tvi h GLN 49 CO 0.01 0.28 0.06 1.96 -1.93 0.00 0.00 178.83 179.21 1tvi h GLN 50 N 0.00 0.00 0.00 1.69 4.20 0.17 0.62 115.11 121.79 1tvi h GLN 50 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1tvi h GLN 50 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1tvi h GLN 50 CO 0.04 0.00 -0.35 1.19 -0.67 0.00 0.00 178.83 179.03 1tvi n PHE 51 N -2.95 -0.40 0.21 2.96 3.72 -1.01 -4.80 117.46 115.20 1tvi n PHE 51 Ca -0.03 0.07 0.08 0.00 -0.05 0.00 0.00 57.45 57.53 1tvi n PHE 51 Cb 0.12 0.26 0.45 0.00 -0.94 0.00 0.00 39.48 39.37 1tvi n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1tvi h ARG 52 N 0.00 0.00 0.00 -1.08 2.47 0.11 -3.46 114.38 112.42 1tvi h ARG 52 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1tvi h ARG 52 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1tvi h ARG 52 CO 0.00 0.27 0.00 0.41 0.56 0.00 0.00 179.97 181.21 1tvi n GLY 53 N 0.03 0.93 3.77 0.04 0.00 0.21 -4.91 105.19 105.27 1tvi n GLY 53 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1tvi n GLY 53 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1tvi s GLN 54 N -0.10 2.98 -0.58 1.61 -2.07 -1.26 -4.83 119.66 115.41 1tvi s GLN 54 Ca 0.00 -0.57 -0.13 0.00 -1.82 0.00 0.00 55.36 52.83 1tvi s GLN 54 Cb 0.00 -2.80 0.14 0.00 -1.09 0.00 0.00 33.01 29.27 1tvi s GLN 54 CO 0.00 0.61 0.50 0.34 -1.32 0.00 0.00 175.29 175.43 1tvi s ASP 55 N -1.99 6.12 -0.29 12.60 2.15 -1.26 -1.82 116.67 132.19 1tvi s ASP 55 Ca 0.25 -2.02 -0.17 0.00 0.43 0.00 0.00 52.55 51.04 1tvi s ASP 55 Cb -0.12 -2.14 0.14 0.00 -0.30 0.00 0.00 42.92 40.50 1tvi s ASP 55 CO 0.17 -0.75 0.98 0.00 -0.17 0.00 0.00 175.17 175.40 1tvi s ARG 56 N 1.22 0.39 0.97 4.34 1.04 -1.26 -5.08 118.95 120.56 1tvi s ARG 56 Ca 0.07 0.65 -0.14 0.00 -1.04 0.00 0.00 55.73 55.27 1tvi s ARG 56 Cb -0.25 0.09 0.17 0.00 -2.04 0.00 0.00 34.95 32.92 1tvi s ARG 56 CO -0.00 -0.08 1.17 -1.25 -0.04 0.00 0.00 175.30 175.09 1tvi s PRO 57 N 1.24 0.65 0.18 3.89 0.04 -1.26 -4.79 135.00 134.95 1tvi s PRO 57 Ca -0.08 0.10 -0.24 0.00 0.04 0.00 0.00 61.00 60.82 1tvi s PRO 57 Cb -0.04 -1.80 0.06 0.00 0.04 0.00 0.00 34.50 32.77 1tvi s PRO 57 CO -0.14 -2.49 0.95 -0.08 0.04 0.00 0.00 177.00 175.28 1tvi s THR 58 N -3.34 0.00 0.00 1.26 -1.32 -1.26 -5.08 115.64 105.90 1tvi s THR 58 Ca 0.67 -0.69 -0.02 0.00 -1.21 0.00 0.00 61.69 60.44 1tvi s THR 58 Cb -0.12 -2.19 -0.01 0.00 -1.51 0.00 0.00 72.50 68.67 1tvi s THR 58 CO 0.54 0.00 0.70 0.44 -2.21 0.00 0.00 174.62 174.08 1tvi h ASP 59 N 2.00 -0.06 -3.70 8.08 5.19 -1.95 -3.45 116.42 122.52 1tvi h ASP 59 Ca -0.25 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 55.83 1tvi h ASP 59 Cb 1.23 0.02 -0.31 0.00 0.18 0.00 0.00 39.33 40.45 1tvi h ASP 59 CO 0.28 -0.03 -0.75 0.54 -3.12 0.00 0.00 179.24 176.15 1tvi s VAL 60 N -2.51 0.32 -0.20 -1.35 0.11 -1.26 -3.35 120.40 112.16 1tvi s VAL 60 Ca -0.01 -0.10 -0.15 0.00 -2.93 0.00 0.00 61.98 58.80 1tvi s VAL 60 Cb 0.00 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1tvi s VAL 60 CO 0.03 0.13 0.34 -0.76 -3.33 0.00 0.00 175.10 171.51 1tvi s LEU 61 N 0.38 4.17 -0.08 2.54 1.02 0.95 -5.00 118.68 122.66 1tvi s LEU 61 Ca -0.04 0.45 -0.03 0.00 0.02 0.00 0.00 54.13 54.53 1tvi s LEU 61 Cb -0.07 -2.42 -0.04 0.00 0.02 0.00 0.00 46.19 43.68 1tvi s LEU 61 CO -0.01 -0.02 0.06 -0.89 0.02 0.00 0.00 176.35 175.52 1tvi s THR 62 N 1.08 4.80 0.00 5.49 2.01 -1.26 -0.50 115.64 127.26 1tvi s THR 62 Ca 0.17 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 1tvi s THR 62 Cb -0.14 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1tvi s THR 62 CO 0.07 0.56 1.07 0.12 -0.69 0.00 0.00 174.62 175.75 1tvi s PHE 63 N -1.00 3.52 -0.49 4.92 5.36 -1.26 -4.93 117.98 124.11 1tvi s PHE 63 Ca 0.16 1.51 -0.28 0.00 -0.96 0.00 0.00 56.93 57.36 1tvi s PHE 63 Cb -0.12 -3.25 0.01 0.00 -0.34 0.00 0.00 43.02 39.32 1tvi s PHE 63 CO 0.05 -0.57 1.46 -1.25 -1.46 0.00 0.00 175.22 173.45 1tvi s PRO 64 N 1.28 3.37 -0.32 10.12 0.04 -1.26 -4.72 135.00 143.51 1tvi s PRO 64 Ca 0.54 0.70 0.03 0.00 0.04 0.00 0.00 61.00 62.31 1tvi s PRO 64 Cb -0.24 -4.10 0.32 0.00 0.04 0.00 0.00 34.50 30.52 1tvi s PRO 64 CO 0.26 -1.83 1.39 1.47 0.04 0.00 0.00 177.00 178.33 1tvi n LEU 65 N 9.49 -1.17 -0.17 -3.56 -0.00 -1.26 -5.03 117.00 115.28 1tvi n LEU 65 Ca 0.15 -1.75 -0.00 0.00 -0.00 0.00 0.00 56.01 54.40 1tvi n LEU 65 Cb 0.49 0.90 0.02 0.00 -0.00 0.00 0.00 43.42 44.83 1tvi n LEU 65 CO 0.71 1.57 0.27 0.80 -0.00 0.00 0.00 177.39 180.73 1tvi n MET 66 N 0.69 -0.10 0.00 1.47 1.56 -1.26 -4.42 117.12 115.05 1tvi n MET 66 Ca -0.05 0.70 0.00 0.00 -0.27 0.00 0.00 57.70 58.08 1tvi n MET 66 Cb 0.75 -1.04 0.00 0.00 2.15 0.00 0.00 33.22 35.08 1tvi n MET 66 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1tvi n GLU 67 N -4.67 0.00 0.19 2.12 2.13 -1.26 -2.65 120.64 116.50 1tvi n GLU 67 Ca 0.05 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.99 1tvi n GLU 67 Cb 0.18 0.00 0.25 0.00 0.27 0.00 0.00 31.44 32.14 1tvi n GLU 67 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1tvi h GLU 68 N 0.00 0.00 0.00 5.31 5.08 -2.02 -3.45 114.58 119.50 1tvi h GLU 68 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1tvi h GLU 68 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1tvi h GLU 68 CO 0.00 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 177.61 1tvi n ASP 69 N -2.84 -0.63 0.08 1.42 5.68 -1.08 -4.82 116.55 114.35 1tvi n ASP 69 Ca 0.04 0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 1tvi n ASP 69 Cb 0.50 0.84 0.00 0.00 -1.14 0.00 0.00 41.12 41.32 1tvi n ASP 69 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1tvi n VAL 70 N -2.36 0.00 -3.63 2.12 0.24 -1.26 -4.80 118.33 108.63 1tvi n VAL 70 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 1tvi n VAL 70 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 1tvi n VAL 70 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tvi n TYR 71 N -2.70 -1.57 0.00 6.34 9.36 -1.25 -4.80 117.16 122.54 1tvi n TYR 71 Ca 0.00 0.42 0.00 0.00 3.32 0.00 0.00 57.90 61.64 1tvi n TYR 71 Cb 0.00 -1.81 0.00 0.00 -0.63 0.00 0.00 39.34 36.90 1tvi n TYR 71 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1tvi n GLY 72 N -0.90 4.96 2.77 2.98 0.00 -1.21 -4.93 105.19 108.86 1tvi n GLY 72 Ca 0.05 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 1tvi n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tvi s GLU 73 N 4.66 0.60 -0.05 1.61 -1.05 -1.26 -1.47 118.70 121.73 1tvi s GLU 73 Ca 0.00 0.11 -0.02 0.00 -0.15 0.00 0.00 54.97 54.91 1tvi s GLU 73 Cb 0.00 -0.96 -0.04 0.00 -0.44 0.00 0.00 34.13 32.70 1tvi s GLU 73 CO 0.00 -0.30 0.05 -1.50 0.95 0.00 0.00 175.26 174.47 1tvi s ILE 74 N 1.95 4.65 -0.18 1.83 2.07 0.19 -4.14 121.20 127.57 1tvi s ILE 74 Ca 0.05 -0.27 -0.07 0.00 -1.41 0.00 0.00 60.65 58.94 1tvi s ILE 74 Cb -0.12 -3.05 -0.04 0.00 0.13 0.00 0.00 42.46 39.38 1tvi s ILE 74 CO -0.05 0.49 0.06 -0.31 -1.91 0.00 0.00 174.94 173.22 1tvi s TYR 75 N -1.05 3.25 0.15 3.50 1.51 0.35 0.53 117.35 125.59 1tvi s TYR 75 Ca 0.18 0.07 0.10 0.00 -1.01 0.00 0.00 57.07 56.41 1tvi s TYR 75 Cb -0.12 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 1tvi s TYR 75 CO 0.08 0.15 -0.23 0.08 -1.11 0.00 0.00 175.55 174.51 1tvi s VAL 76 N 0.39 2.09 -0.30 0.71 1.01 0.62 -0.03 120.40 124.89 1tvi s VAL 76 Ca 0.03 -1.81 -0.03 0.00 0.00 0.00 0.00 61.98 60.16 1tvi s VAL 76 Cb -0.12 -1.91 0.10 0.00 0.00 0.00 0.00 36.38 34.45 1tvi s VAL 76 CO 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 175.10 175.16 1tvi n PRO 78 N 5.12 0.75 0.11 0.00 -0.04 -1.26 -2.68 135.00 137.00 1tvi n PRO 78 Ca -0.04 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.31 1tvi n PRO 78 Cb 0.42 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.31 1tvi n PRO 78 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1tvi h LEU 79 N 0.00 -0.29 -0.02 1.53 5.85 -1.92 -1.01 115.31 119.45 1tvi h LEU 79 Ca 0.00 -0.22 -0.21 0.00 0.84 0.00 0.00 57.88 58.28 1tvi h LEU 79 Cb 0.00 0.08 0.02 0.00 0.37 0.00 0.00 40.66 41.12 1tvi h LEU 79 CO 0.00 0.19 -0.81 0.40 -0.34 0.00 0.00 178.44 177.88 1tvi h ILE 80 N -0.91 1.34 0.09 4.05 5.03 -1.86 -0.74 117.51 124.51 1tvi h ILE 80 Ca -0.04 -2.13 0.02 0.00 -0.12 0.00 0.00 64.86 62.60 1tvi h ILE 80 Cb 0.50 2.42 -0.04 0.00 -3.03 0.00 0.00 36.82 36.67 1tvi h ILE 80 CO 0.06 0.64 -0.36 0.58 -0.68 0.00 0.00 178.15 178.39 1tvi h VAL 81 N 0.19 0.25 -0.21 1.67 2.07 -1.62 0.64 116.25 119.23 1tvi h VAL 81 Ca -0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1tvi h VAL 81 Cb 1.48 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1tvi h VAL 81 CO 0.16 0.00 0.09 1.05 0.02 0.00 0.00 177.57 178.89 1tvi h GLU 82 N -0.57 0.31 -0.88 1.57 4.11 -1.26 0.42 114.58 118.28 1tvi h GLU 82 Ca 0.03 -0.05 0.16 0.00 0.07 0.00 0.00 59.36 59.57 1tvi h GLU 82 Cb 0.61 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 1tvi h GLU 82 CO -0.23 0.35 0.57 1.49 0.07 0.00 0.00 179.01 181.26 1tvi h GLU 83 N 0.19 0.60 -0.03 1.06 4.57 -0.66 1.23 114.58 121.54 1tvi h GLU 83 Ca 0.07 -0.04 -0.21 0.00 -1.18 0.00 0.00 59.36 58.00 1tvi h GLU 83 Cb 0.15 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1tvi h GLU 83 CO -0.01 0.39 -0.87 -0.91 -1.18 0.00 0.00 179.01 176.43 1tvi h ASN 84 N 0.61 0.55 0.73 1.04 2.35 0.79 -3.02 115.58 118.64 1tvi h ASN 84 Ca 0.45 -0.42 -0.11 0.00 -0.55 0.00 0.00 56.30 55.67 1tvi h ASN 84 Cb 0.82 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 1tvi h ASN 84 CO -0.20 1.20 -0.52 0.00 -1.65 0.00 0.00 177.43 176.26 1tvi h ALA 85 N 0.77 0.97 -0.34 -0.83 0.00 0.16 -2.22 119.26 117.77 1tvi h ALA 85 Ca -0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 1tvi h ALA 85 Cb 1.49 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1tvi h ALA 85 CO 0.15 0.65 0.02 0.00 0.00 0.00 0.00 179.25 180.08 1tvi h ARG 86 N 0.00 0.52 0.00 0.00 3.08 0.15 1.76 114.38 119.89 1tvi h ARG 86 Ca -0.01 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1tvi h ARG 86 Cb 1.03 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 1tvi h ARG 86 CO 0.07 0.53 -0.54 1.05 -1.07 0.00 0.00 179.97 180.01 1tvi h GLU 87 N 0.51 0.00 -0.37 0.04 4.11 -1.43 -3.26 114.58 114.17 1tvi h GLU 87 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1tvi h GLU 87 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1tvi h GLU 87 CO 0.01 0.06 0.00 0.34 0.07 0.00 0.00 179.01 179.48 1tvi n PHE 88 N -2.92 0.66 -2.19 2.06 -0.00 -0.67 -4.94 117.46 109.46 1tvi n PHE 88 Ca 0.01 -0.58 -0.04 0.00 -0.00 0.00 0.00 57.45 56.84 1tvi n PHE 88 Cb 0.57 -0.10 -0.00 0.00 -0.00 0.00 0.00 39.48 39.95 1tvi n PHE 88 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1tvi n ASN 89 N 0.42 -1.68 -4.85 -2.13 4.05 0.56 -4.86 115.26 106.78 1tvi n ASN 89 Ca 0.15 0.34 -0.32 0.00 0.45 0.00 0.00 54.58 55.21 1tvi n ASN 89 Cb 0.56 -1.60 -0.01 0.00 1.23 0.00 0.00 39.78 39.96 1tvi n ASN 89 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1tvi s ASN 90 N -1.86 6.39 -0.68 1.20 2.47 0.10 -4.94 114.94 117.62 1tvi s ASN 90 Ca 0.00 1.52 -0.26 0.00 0.42 0.00 0.00 52.86 54.54 1tvi s ASN 90 Cb 0.00 -2.49 -0.02 0.00 -1.45 0.00 0.00 41.25 37.29 1tvi s ASN 90 CO 0.00 -0.75 1.81 0.42 -3.72 0.00 0.00 177.10 174.86 1tvi s THR 91 N -2.85 3.41 0.53 -5.21 -4.23 -1.26 -4.63 115.64 101.40 1tvi s THR 91 Ca 0.58 0.11 0.31 0.00 -1.18 0.00 0.00 61.69 61.51 1tvi s THR 91 Cb -0.11 -4.06 0.48 0.00 1.34 0.00 0.00 72.50 70.16 1tvi s THR 91 CO 0.41 -1.02 1.88 0.15 -0.54 0.00 0.00 174.62 175.50 1tvi h PHE 92 N 13.86 0.04 -0.14 3.99 3.57 -1.92 0.40 116.94 136.73 1tvi h PHE 92 Ca -0.20 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.12 1tvi h PHE 92 Cb 1.12 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.86 1tvi h PHE 92 CO 1.08 0.01 -0.63 1.05 -2.23 0.00 0.00 178.31 177.59 1tvi h GLU 93 N 0.03 0.68 -0.02 1.11 4.11 -1.95 -2.26 114.58 116.28 1tvi h GLU 93 Ca 0.44 -0.54 -0.00 0.00 0.07 0.00 0.00 59.36 59.33 1tvi h GLU 93 Cb 1.73 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 31.09 1tvi h GLU 93 CO -0.02 1.16 0.00 -0.22 0.07 0.00 0.00 179.01 180.00 1tvi h LYS 94 N 0.37 0.03 -0.86 1.06 3.11 -0.75 0.56 116.57 120.08 1tvi h LYS 94 Ca -0.04 -0.01 0.13 0.00 -2.81 0.00 0.00 60.65 57.92 1tvi h LYS 94 Cb 1.26 -0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 32.41 1tvi h LYS 94 CO 0.13 0.32 0.48 0.93 -2.81 0.00 0.00 179.45 178.50 1tvi h GLU 95 N -0.27 0.70 -0.08 1.90 4.39 -0.76 0.62 114.58 121.08 1tvi h GLU 95 Ca 0.00 -0.04 -0.21 0.00 0.34 0.00 0.00 59.36 59.46 1tvi h GLU 95 Cb 0.31 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1tvi h GLU 95 CO 0.00 0.46 -0.79 1.25 -1.16 0.00 0.00 179.01 178.77 1tvi h LEU 96 N 0.72 0.63 -2.03 1.33 7.12 -1.22 -2.91 115.31 118.95 1tvi h LEU 96 Ca 0.45 -0.43 0.08 0.00 0.13 0.00 0.00 57.88 58.11 1tvi h LEU 96 Cb 0.55 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.48 1tvi h LEU 96 CO -0.31 1.20 0.20 -0.07 -0.13 0.00 0.00 178.44 179.33 1tvi h LEU 97 N 0.34 0.00 0.60 2.25 4.07 0.23 -1.00 115.31 121.80 1tvi h LEU 97 Ca -0.05 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.88 1tvi h LEU 97 Cb 1.40 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.14 1tvi h LEU 97 CO 0.14 0.00 -0.29 -0.33 -1.08 0.00 0.00 178.44 176.89 1tvi h GLU 98 N 0.00 -0.77 0.00 1.13 5.08 -0.87 0.11 114.58 119.26 1tvi h GLU 98 Ca 0.13 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1tvi h GLU 98 Cb 0.54 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1tvi h GLU 98 CO -0.00 -0.48 -0.01 -0.39 -1.00 0.00 0.00 179.01 177.14 1tvi h VAL 99 N -0.93 0.56 0.38 3.13 -1.51 -1.42 1.66 116.25 118.12 1tvi h VAL 99 Ca -0.08 -0.03 -0.02 0.00 -1.23 0.00 0.00 66.70 65.34 1tvi h VAL 99 Cb 0.66 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1tvi h VAL 99 CO 0.13 0.01 -0.18 0.58 -1.23 0.00 0.00 177.57 176.88 1tvi h VAL 100 N 0.00 0.39 0.00 7.19 2.07 -0.66 -3.12 116.25 122.13 1tvi h VAL 100 Ca -0.00 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1tvi h VAL 100 Cb 0.02 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1tvi h VAL 100 CO 0.00 0.08 0.00 0.16 0.02 0.00 0.00 177.57 177.84 1tvi h ILE 101 N -0.99 0.00 -0.95 4.57 3.07 -0.23 -3.07 117.51 119.91 1tvi h ILE 101 Ca -0.05 -0.44 0.25 0.00 1.55 0.00 0.00 64.86 66.17 1tvi h ILE 101 Cb 0.52 1.33 -0.06 0.00 -0.27 0.00 0.00 36.82 38.35 1tvi h ILE 101 CO 0.08 0.00 0.66 -0.74 -1.05 0.00 0.00 178.15 177.10 1tvi h HIS 102 N 0.00 0.26 0.01 0.16 2.76 0.25 2.34 115.15 120.93 1tvi h HIS 102 Ca 0.00 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 1tvi h HIS 102 Cb 0.58 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.47 1tvi h HIS 102 CO 0.00 0.05 -0.11 0.78 -1.30 0.00 0.00 177.93 177.35 1tvi h GLY 103 N 0.18 0.03 0.72 5.26 0.00 -1.63 -3.08 103.07 104.55 1tvi h GLY 103 Ca 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 1tvi h GLY 103 CO -0.10 0.06 -0.15 -2.22 0.00 0.00 0.00 176.54 174.12 1tvi h ILE 104 N -0.95 0.69 -0.77 2.60 2.04 -1.27 -2.32 117.51 117.52 1tvi h ILE 104 Ca -0.02 -0.50 0.22 0.00 1.00 0.00 0.00 64.86 65.57 1tvi h ILE 104 Cb 1.06 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1tvi h ILE 104 CO 0.00 0.10 0.72 0.17 0.00 0.00 0.00 178.15 179.14 1tvi h LEU 105 N -0.71 0.00 0.46 1.44 8.10 0.37 1.74 115.31 126.71 1tvi h LEU 105 Ca -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.92 1tvi h LEU 105 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 1tvi h LEU 105 CO 0.07 0.00 -0.22 0.45 -4.11 0.00 0.00 178.44 174.63 1tvi h HIS 106 N 0.00 -0.57 0.00 0.17 3.86 -1.33 -3.06 115.15 114.22 1tvi h HIS 106 Ca 0.37 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1tvi h HIS 106 Cb 1.79 0.19 0.00 0.00 1.06 0.00 0.00 27.41 30.45 1tvi h HIS 106 CO 0.00 -0.35 0.00 1.37 0.86 0.00 0.00 177.93 179.81 1tvi h LEU 107 N -0.83 0.00 -2.19 2.43 8.10 -0.80 -2.43 115.31 119.59 1tvi h LEU 107 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.93 1tvi h LEU 107 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.69 1tvi h LEU 107 CO 0.10 0.00 0.05 0.00 -4.11 0.00 0.00 178.44 174.48 1tvi h ALA 108 N 2.21 1.04 -3.41 0.17 0.00 0.27 -3.46 119.26 116.08 1tvi h ALA 108 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1tvi h ALA 108 Cb 0.42 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.26 1tvi h ALA 108 CO 0.00 -0.04 -0.25 0.41 0.00 0.00 0.00 179.25 179.37 1tvi n GLY 109 N -1.19 0.24 0.30 0.00 0.00 -0.92 -4.95 105.19 98.68 1tvi n GLY 109 Ca -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 1tvi n GLY 109 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1tvi h TYR 110 N -0.46 0.88 -1.09 1.61 -0.00 -1.73 -3.45 116.97 112.73 1tvi h TYR 110 Ca -0.18 0.03 0.21 0.00 0.00 0.00 0.00 58.73 58.79 1tvi h TYR 110 Cb 1.10 -0.28 -0.30 0.00 0.00 0.00 0.00 36.73 37.25 1tvi h TYR 110 CO 0.11 0.44 0.90 0.34 -0.00 0.00 0.00 178.16 179.95 1tvi s ASP 111 N -5.71 -0.06 -1.12 0.10 2.15 -1.26 -5.05 116.67 105.71 1tvi s ASP 111 Ca -0.13 0.09 -0.26 0.00 0.43 0.00 0.00 52.55 52.69 1tvi s ASP 111 Cb 0.18 0.08 -0.19 0.00 -0.30 0.00 0.00 42.92 42.69 1tvi s ASP 111 CO 0.78 -0.04 2.07 -1.00 -0.17 0.00 0.00 175.17 176.80 1tvi s HIS 112 N -0.58 1.42 0.11 -5.34 3.76 -1.26 -4.30 115.29 109.10 1tvi s HIS 112 Ca 0.08 1.83 0.00 0.00 -0.15 0.00 0.00 55.06 56.81 1tvi s HIS 112 Cb -0.03 -3.50 0.00 0.00 1.11 0.00 0.00 32.58 30.16 1tvi s HIS 112 CO -0.11 -0.79 0.00 -1.91 -0.85 0.00 0.00 174.74 171.08 1tvi n GLU 113 N 8.19 -4.46 -2.40 1.40 2.13 -1.26 -4.85 120.64 119.39 1tvi n GLU 113 Ca 0.42 3.28 -0.40 0.00 0.66 0.00 0.00 57.16 61.13 1tvi n GLU 113 Cb 0.47 -3.70 0.02 0.00 0.27 0.00 0.00 31.44 28.50 1tvi n GLU 113 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1tvi n PHE 114 N 1.54 2.92 0.00 4.31 -0.00 -1.26 -4.92 117.46 120.05 1tvi n PHE 114 Ca 0.00 -2.56 0.00 0.00 -0.00 0.00 0.00 57.45 54.89 1tvi n PHE 114 Cb 0.00 -1.13 0.00 0.00 -0.00 0.00 0.00 39.48 38.35 1tvi n PHE 114 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1tvi n GLU 115 N -0.25 0.00 -2.70 -4.13 4.07 -1.26 -3.55 120.64 112.82 1tvi n GLU 115 Ca 0.48 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.53 1tvi n GLU 115 Cb 0.27 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.70 1tvi n GLU 115 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1tvi n ASP 116 N 2.89 -1.98 0.00 4.31 -0.08 -1.26 -4.97 116.55 115.47 1tvi n ASP 116 Ca 0.00 -2.11 0.00 0.00 -1.51 0.00 0.00 54.79 51.17 1tvi n ASP 116 Cb 0.00 1.11 0.00 0.00 2.34 0.00 0.00 41.12 44.57 1tvi n ASP 116 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1tvi n LYS 117 N 1.95 0.00 0.00 -0.67 4.81 -1.23 -4.79 118.16 118.22 1tvi n LYS 117 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1tvi n LYS 117 Cb 0.66 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.71 1tvi n LYS 117 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1tvi n ASN 118 N 2.99 0.00 0.00 3.14 4.05 -1.23 -4.49 115.26 119.72 1tvi n ASN 118 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1tvi n ASN 118 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1tvi n ASN 118 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1tvi n SER 119 N 1.86 0.00 -0.11 1.20 2.88 -1.26 -4.52 113.62 113.67 1tvi n SER 119 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1tvi n SER 119 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1tvi n SER 119 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1tvi h LYS 120 N 0.00 -0.18 0.01 -1.46 1.63 -2.00 1.46 116.57 116.04 1tvi h LYS 120 Ca 0.00 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1tvi h LYS 120 Cb 0.00 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1tvi h LYS 120 CO 0.00 -0.12 -0.01 0.93 -3.45 0.00 0.00 179.45 176.80 1tvi h GLU 121 N -0.19 -0.01 -0.65 1.90 3.07 -1.89 -3.17 114.58 113.63 1tvi h GLU 121 Ca 0.18 0.00 0.19 0.00 -0.50 0.00 0.00 59.36 59.23 1tvi h GLU 121 Cb 0.47 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.36 1tvi h GLU 121 CO -0.49 0.67 0.50 1.98 -1.40 0.00 0.00 179.01 180.28 1tvi h MET 122 N -0.72 0.00 -0.41 2.33 1.85 -1.69 -0.68 114.93 115.61 1tvi h MET 122 Ca -0.00 0.00 0.07 0.00 -0.61 0.00 0.00 59.70 59.16 1tvi h MET 122 Cb 0.69 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.66 1tvi h MET 122 CO 0.00 0.00 0.02 0.35 -0.40 0.00 0.00 176.91 176.88 1tvi h PHE 123 N 0.00 0.02 0.81 1.39 3.57 0.21 1.63 116.94 124.56 1tvi h PHE 123 Ca 0.31 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 1tvi h PHE 123 Cb 1.32 0.05 0.01 0.00 2.79 0.00 0.00 35.95 40.12 1tvi h PHE 123 CO 0.00 -0.06 -0.39 0.93 -2.23 0.00 0.00 178.31 176.56 1tvi h GLU 124 N 0.13 -1.05 -0.33 1.11 5.08 -1.24 1.11 114.58 119.39 1tvi h GLU 124 Ca 0.20 0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.73 1tvi h GLU 124 Cb 0.28 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1tvi h GLU 124 CO -0.32 -0.70 0.25 0.87 -1.00 0.00 0.00 179.01 178.11 1tvi h LYS 125 N -1.14 0.00 0.01 2.33 1.57 -1.45 0.25 116.57 118.13 1tvi h LYS 125 Ca -0.11 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.43 1tvi h LYS 125 Cb 0.84 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.15 1tvi h LYS 125 CO 0.18 0.00 -0.98 0.37 -0.57 0.00 0.00 179.45 178.46 1tvi h GLN 126 N 0.00 0.46 0.00 3.15 4.15 0.28 -3.01 115.11 120.15 1tvi h GLN 126 Ca 0.16 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 59.07 1tvi h GLN 126 Cb 0.64 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.48 1tvi h GLN 126 CO -0.00 1.16 0.00 0.87 -1.93 0.00 0.00 178.83 178.92 1tvi h LYS 127 N 0.26 0.00 0.83 1.69 1.79 0.40 -2.10 116.57 119.44 1tvi h LYS 127 Ca -0.09 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.34 1tvi h LYS 127 Cb 1.62 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.28 1tvi h LYS 127 CO 0.17 0.00 -0.40 -0.22 -1.08 0.00 0.00 179.45 177.93 1tvi h LYS 128 N 0.00 -1.07 -0.27 3.15 3.11 -0.52 -0.48 116.57 120.49 1tvi h LYS 128 Ca 0.00 0.07 -0.15 0.00 -2.81 0.00 0.00 60.65 57.76 1tvi h LYS 128 Cb 0.66 0.24 -0.01 0.00 -1.00 0.00 0.00 32.23 32.12 1tvi h LYS 128 CO 0.00 -0.70 -0.45 1.88 -2.81 0.00 0.00 179.45 177.37 1tvi h TYR 129 N -1.24 0.85 -0.74 1.91 0.05 -1.61 -2.96 116.97 113.24 1tvi h TYR 129 Ca -0.11 -0.27 0.10 0.00 0.05 0.00 0.00 58.73 58.50 1tvi h TYR 129 Cb 0.86 -0.17 -0.07 0.00 1.01 0.00 0.00 36.73 38.35 1tvi h TYR 129 CO -0.00 1.03 0.37 0.28 -1.05 0.00 0.00 178.16 178.79 1tvi h VAL 130 N 0.56 0.84 0.01 -2.88 2.07 -1.37 0.21 116.25 115.70 1tvi h VAL 130 Ca 0.04 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1tvi h VAL 130 Cb 1.00 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1tvi h VAL 130 CO 0.09 0.11 -0.01 -0.08 0.02 0.00 0.00 177.57 177.71 1tvi h GLU 131 N 0.62 -0.02 0.50 1.57 4.81 -0.95 1.78 114.58 122.90 1tvi h GLU 131 Ca 0.37 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1tvi h GLU 131 Cb 0.39 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1tvi h GLU 131 CO -0.28 0.00 -0.40 1.49 -0.73 0.00 0.00 179.01 179.09 1tvi h GLU 132 N -0.03 -0.86 -0.20 1.92 4.81 -1.13 1.36 114.58 120.46 1tvi h GLU 132 Ca -0.00 0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1tvi h GLU 132 Cb 0.03 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1tvi h GLU 132 CO 0.00 -0.57 0.12 0.28 -0.73 0.00 0.00 179.01 178.11 1tvi h VAL 133 N -0.89 1.08 0.00 0.32 2.07 -0.55 0.12 116.25 118.41 1tvi h VAL 133 Ca -0.05 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1tvi h VAL 133 Cb 0.76 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1tvi h VAL 133 CO -0.01 0.08 0.00 1.87 0.02 0.00 0.00 177.57 179.54 1tvi n TRP 134 N -4.92 0.60 0.00 1.57 -0.00 0.61 -2.17 117.44 113.13 1tvi n TRP 134 Ca -0.03 0.27 0.23 0.00 -0.00 0.00 0.00 57.50 57.97 1tvi n TRP 134 Cb 0.05 -0.94 0.70 0.00 -0.00 0.00 0.00 31.31 31.12 1tvi n TRP 134 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1tvi h GLY 135 N 1.10 0.00 0.00 5.87 0.00 0.46 1.89 103.07 112.39 1tvi h GLY 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1tvi h GLY 135 CO 0.00 0.00 -0.33 -2.09 0.00 0.00 0.00 176.54 174.12 1tvi h GLU 136 N 0.00 0.00 -0.02 4.80 4.81 -1.58 -3.35 114.58 119.24 1tvi h GLU 136 Ca 0.28 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1tvi h GLU 136 Cb 1.48 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.86 1tvi h GLU 136 CO -0.00 0.00 0.19 -1.49 -0.73 0.00 0.00 179.01 176.98 1tvi h TRP 137 N -0.79 0.00 -0.76 0.92 4.06 -1.58 0.11 115.95 117.90 1tvi h TRP 137 Ca 0.00 0.00 0.19 0.00 2.06 0.00 0.00 58.89 61.14 1tvi h TRP 137 Cb 0.33 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.44 1tvi h TRP 137 CO -0.14 0.00 0.53 0.00 -3.56 0.00 0.00 178.44 175.27 1tvi h ARG 138 N 0.00 0.20 0.00 0.49 3.08 0.28 1.24 114.38 119.67 1tvi h ARG 138 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1tvi h ARG 138 Cb 0.39 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1tvi h ARG 138 CO -0.00 0.13 0.00 0.77 -1.07 0.00 0.00 179.97 179.80 1tvi h SER 139 N 0.20 0.00 -2.07 7.04 0.02 -0.97 -3.28 113.55 114.50 1tvi h SER 139 Ca 0.37 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.77 1tvi h SER 139 Cb 1.17 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.31 1tvi h SER 139 CO -0.07 0.00 -0.98 -0.46 -1.14 0.00 0.00 176.83 174.17 1tvi n ASN 140 N -2.62 1.49 0.00 3.07 0.23 0.42 -5.00 115.26 112.85 1tvi n ASN 140 Ca 0.03 -3.02 0.00 0.00 -0.53 0.00 0.00 54.58 51.05 1tvi n ASN 140 Cb 0.33 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.40 1tvi n ASN 140 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1tvi n PRO 141 N 0.85 0.00 -1.18 -0.53 -0.04 -0.95 -4.85 135.00 128.30 1tvi n PRO 141 Ca 0.25 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.26 1tvi n PRO 141 Cb 0.52 -0.29 -0.05 0.00 -0.04 0.00 0.00 33.50 33.64 1tvi n PRO 141 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1tvi n SER 142 N -0.17 -0.30 -0.98 3.54 7.64 -1.26 -4.82 113.62 117.27 1tvi n SER 142 Ca 0.00 0.92 0.12 0.00 1.01 0.00 0.00 58.87 60.92 1tvi n SER 142 Cb 0.00 -0.74 0.15 0.00 -1.01 0.00 0.00 64.21 62.61 1tvi n SER 142 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1tvi n GLU 143 N 1.09 2.34 -0.03 1.43 4.71 -1.26 -4.47 120.64 124.45 1tvi n GLU 143 Ca 0.16 -1.96 -0.07 0.00 -0.01 0.00 0.00 57.16 55.27 1tvi n GLU 143 Cb 0.10 -1.47 -0.02 0.00 -1.01 0.00 0.00 31.44 29.04 1tvi n GLU 143 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1tvi n ASP 144 N 1.32 1.21 -0.66 1.62 2.03 -1.26 -5.13 116.55 115.67 1tvi n ASP 144 Ca 0.16 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1tvi n ASP 144 Cb 0.59 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 1tvi n ASP 144 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1tvi n SER 145 N -3.75 -1.61 -3.74 1.67 7.64 -1.26 -5.11 113.62 107.46 1tvi n SER 145 Ca -0.12 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.64 1tvi n SER 145 Cb 0.38 -0.80 -0.12 0.00 -1.01 0.00 0.00 64.21 62.66 1tvi n SER 145 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1tvi s ASP 146 N 0.00 -0.31 0.15 6.43 -1.08 -1.26 -5.04 116.67 115.56 1tvi s ASP 146 Ca 0.00 0.59 -0.02 0.00 -0.52 0.00 0.00 52.55 52.60 1tvi s ASP 146 Cb 0.00 0.53 -0.02 0.00 -1.46 0.00 0.00 42.92 41.97 1tvi s ASP 146 CO 0.00 -0.14 1.37 1.55 0.52 0.00 0.00 175.17 178.47 1tvi h PRO 147 N 6.55 0.36 0.00 4.34 0.13 -2.02 -3.47 132.00 137.90 1tvi h PRO 147 Ca -0.34 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1tvi h PRO 147 Cb 1.17 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1tvi h PRO 147 CO 0.35 1.02 0.00 0.41 -0.23 0.00 0.00 178.00 179.55 1tvi n GLY 148 N 0.78 1.63 5.32 1.56 0.00 -1.26 -5.14 105.19 108.08 1tvi n GLY 148 Ca -0.05 0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.21 1tvi n GLY 148 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tvi n LYS 149 N 0.00 -0.70 -0.44 1.61 5.02 -1.26 -5.33 118.16 117.07 1tvi n LYS 149 Ca 0.00 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1tvi n LYS 149 Cb 0.00 -0.85 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1tvi n LYS 149 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42