#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 2.22 -0.20 3.17 1.09 -1.26 -4.35 121.20 121.88 1tvi s ILE 2 Ca 0.00 -0.94 -0.28 0.00 -1.10 0.00 0.00 60.65 58.33 1tvi s ILE 2 Cb 0.00 -1.88 0.00 0.00 -1.06 0.00 0.00 42.46 39.52 1tvi s ILE 2 CO 0.00 0.55 0.99 -0.60 -0.10 0.00 0.00 174.94 175.78 1tvi s ARG 3 N 0.61 4.29 -0.38 2.79 3.52 -0.80 -5.01 118.95 123.98 1tvi s ARG 3 Ca -0.11 1.29 -0.07 0.00 -0.13 0.00 0.00 55.73 56.71 1tvi s ARG 3 Cb -0.16 -3.61 0.07 0.00 -1.56 0.00 0.00 34.95 29.68 1tvi s ARG 3 CO 0.03 -0.52 0.17 0.42 -0.81 0.00 0.00 175.30 174.59 1tvi s ILE 4 N 2.78 3.82 0.25 4.11 1.01 -1.26 -0.83 121.20 131.08 1tvi s ILE 4 Ca 0.44 -1.40 0.08 0.00 0.00 0.00 0.00 60.65 59.76 1tvi s ILE 4 Cb -0.16 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 1tvi s ILE 4 CO 0.10 -0.38 -0.12 -1.48 0.00 0.00 0.00 174.94 173.06 1tvi s LEU 5 N 1.36 2.54 0.00 2.97 2.34 -0.70 -5.00 118.68 122.19 1tvi s LEU 5 Ca 0.01 -1.09 0.00 0.00 0.06 0.00 0.00 54.13 53.11 1tvi s LEU 5 Cb -0.21 -0.72 0.00 0.00 -0.56 0.00 0.00 46.19 44.69 1tvi s LEU 5 CO 0.01 -0.21 0.00 0.61 -1.06 0.00 0.00 176.35 175.70 1tvi n GLY 6 N -0.50 -1.87 2.96 -3.48 0.00 -1.26 -1.51 105.19 99.53 1tvi n GLY 6 Ca -0.07 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 0.11 0.00 1.61 2.02 0.03 -4.73 118.70 117.73 1tvi s GLU 7 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.07 1tvi s GLU 7 Cb 0.00 0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.28 1tvi s GLU 7 CO 0.00 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.68 1tvi n GLY 8 N 2.97 3.90 3.13 -1.39 0.00 -1.26 -3.50 105.19 109.04 1tvi n GLY 8 Ca -0.13 -0.38 -0.54 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.31 0.00 0.00 1.61 4.81 -1.26 -3.14 118.16 119.87 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 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 33.62 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 6.95 0.32 0.27 3.14 0.00 -1.26 -4.75 105.19 109.86 1tvi n GLY 10 Ca 0.54 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.65 -0.14 1.61 0.87 -1.96 0.31 113.55 113.59 1tvi h SER 11 Ca 0.00 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.53 1tvi h SER 11 Cb 0.00 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1tvi h SER 11 CO 0.00 -0.34 -0.31 0.07 -0.53 0.00 0.00 176.83 175.73 1tvi h LYS 12 N -0.47 0.45 -0.70 2.24 2.10 -1.95 -2.40 116.57 115.85 1tvi h LYS 12 Ca 0.01 -0.30 0.20 0.00 -2.00 0.00 0.00 60.65 58.56 1tvi h LYS 12 Cb 0.46 0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.81 1tvi h LYS 12 CO -0.10 0.91 0.55 1.25 -2.00 0.00 0.00 179.45 180.07 1tvi h LEU 13 N 0.06 0.00 0.05 7.07 5.85 -1.89 0.27 115.31 126.71 1tvi h LEU 13 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 1tvi h LEU 13 Cb 0.91 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.95 1tvi h LEU 13 CO 0.07 0.00 -0.56 0.25 -0.34 0.00 0.00 178.44 177.86 1tvi h LEU 14 N 0.00 0.41 -1.85 2.25 7.12 -0.14 -3.13 115.31 119.97 1tvi h LEU 14 Ca 0.33 -0.85 0.01 0.00 0.13 0.00 0.00 57.88 57.50 1tvi h LEU 14 Cb 1.43 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 41.43 1tvi h LEU 14 CO -0.00 1.21 0.39 -0.33 -0.13 0.00 0.00 178.44 179.58 1tvi h GLU 15 N -0.34 0.00 -0.01 1.25 5.08 0.02 0.53 114.58 121.10 1tvi h GLU 15 Ca -0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1tvi h GLU 15 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1tvi h GLU 15 CO 0.11 0.00 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.15 1tvi h ASN 16 N 0.00 0.07 -0.85 1.42 2.35 -1.34 -3.28 115.58 113.94 1tvi h ASN 16 Ca 0.01 -0.69 -0.57 0.00 -0.55 0.00 0.00 56.30 54.50 1tvi h ASN 16 Cb 0.79 -0.02 -0.32 0.00 0.05 0.00 0.00 38.32 38.82 1tvi h ASN 16 CO -0.00 0.74 0.23 0.00 -1.65 0.00 0.00 177.43 176.76 1tvi n LEU 17 N -4.70 6.39 0.12 1.61 -0.00 0.81 -4.65 117.00 116.59 1tvi n LEU 17 Ca -0.09 -4.33 -0.10 0.00 -0.00 0.00 0.00 56.01 51.49 1tvi n LEU 17 Cb 0.37 -0.73 -0.06 0.00 -0.00 0.00 0.00 43.42 42.99 1tvi n LEU 17 CO 0.35 1.62 0.35 0.50 -0.00 0.00 0.00 177.39 180.21 1tvi h LYS 18 N 1.87 -0.37 0.00 1.47 3.11 -0.20 -3.11 116.57 119.34 1tvi h LYS 18 Ca 0.50 0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 58.35 1tvi h LYS 18 Cb 1.29 0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 32.60 1tvi h LYS 18 CO 1.17 -0.05 -0.04 1.05 -2.81 0.00 0.00 179.45 178.77 1tvi h GLU 19 N -0.96 0.00 -0.83 1.90 4.11 -1.84 -1.34 114.58 115.62 1tvi h GLU 19 Ca -0.04 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.49 1tvi h GLU 19 Cb 0.49 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 1tvi h GLU 19 CO 0.06 0.04 0.47 -0.22 0.07 0.00 0.00 179.01 179.44 1tvi h LYS 20 N 0.00 0.77 0.00 1.06 1.63 -1.86 0.15 116.57 118.32 1tvi h LYS 20 Ca -0.00 -0.05 -0.15 0.00 -0.85 0.00 0.00 60.65 59.60 1tvi h LYS 20 Cb 0.08 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 1tvi h LYS 20 CO 0.01 0.51 -0.72 -0.07 -3.45 0.00 0.00 179.45 175.72 1tvi h LEU 21 N 0.79 0.00 -1.67 5.20 3.38 -1.21 -2.94 115.31 118.87 1tvi h LEU 21 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1tvi h LEU 21 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1tvi h LEU 21 CO -0.25 0.72 0.00 -0.33 0.09 0.00 0.00 178.44 178.67 1tvi h GLU 22 N 0.00 0.00 0.04 1.13 5.08 -0.08 -2.68 114.58 118.07 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 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1tvi h GLU 22 CO 0.09 0.00 -0.02 0.93 -1.00 0.00 0.00 179.01 179.01 1tvi h GLU 23 N 0.00 -0.05 -0.74 2.33 5.08 -0.85 0.12 114.58 120.47 1tvi h GLU 23 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 1tvi h GLU 23 Cb 0.34 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.52 1tvi h GLU 23 CO 0.00 0.58 0.32 -0.84 -1.00 0.00 0.00 179.01 178.07 1tvi h ILE 24 N -0.90 0.73 -0.04 3.13 3.07 -1.56 1.60 117.51 123.54 1tvi h ILE 24 Ca -0.01 -0.17 -0.02 0.00 1.55 0.00 0.00 64.86 66.21 1tvi h ILE 24 Cb 0.66 0.18 -0.00 0.00 -0.27 0.00 0.00 36.82 37.39 1tvi h ILE 24 CO 0.01 0.09 -0.05 -0.37 -1.05 0.00 0.00 178.15 176.78 1tvi h VAL 25 N 0.50 1.39 -0.85 0.16 -1.51 -1.56 -1.14 116.25 113.24 1tvi h VAL 25 Ca 0.39 -1.25 0.08 0.00 -1.23 0.00 0.00 66.70 64.69 1tvi h VAL 25 Cb 0.53 2.13 -0.07 0.00 -2.13 0.00 0.00 31.29 31.75 1tvi h VAL 25 CO -0.35 0.34 0.51 0.50 -1.23 0.00 0.00 177.57 177.34 1tvi h LYS 26 N -0.36 0.85 -0.15 5.19 1.63 0.34 1.94 116.57 126.01 1tvi h LYS 26 Ca 0.01 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1tvi h LYS 26 Cb 0.58 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1tvi h LYS 26 CO 0.01 0.57 0.08 -0.22 -3.45 0.00 0.00 179.45 176.43 1tvi h LYS 27 N 0.88 0.21 0.60 1.90 3.64 0.24 -3.25 116.57 120.78 1tvi h LYS 27 Ca 0.39 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.71 1tvi h LYS 27 Cb 0.28 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1tvi h LYS 27 CO -0.21 0.25 -0.29 1.49 -2.27 0.00 0.00 179.45 178.42 1tvi h GLU 28 N 0.12 -0.77 0.00 1.90 4.22 -0.08 -3.47 114.58 116.51 1tvi h GLU 28 Ca 0.05 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1tvi h GLU 28 Cb 0.10 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1tvi h GLU 28 CO -0.01 -0.51 0.00 1.51 -2.18 0.00 0.00 179.01 177.82 1tvi n ILE 29 N -5.02 0.00 -1.13 2.32 0.13 0.52 -5.08 119.36 111.10 1tvi n ILE 29 Ca -0.10 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.55 1tvi n ILE 29 Cb 0.32 -0.32 0.00 0.00 -0.84 0.00 0.00 39.64 38.79 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 0.44 0.54 2.72 4.50 0.00 0.53 -4.66 105.19 109.27 1tvi n GLY 30 Ca 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 1tvi n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tvi n ASP 31 N -0.35 -2.15 -4.49 1.61 -0.08 -1.26 -4.86 116.55 104.97 1tvi n ASP 31 Ca 0.00 -3.27 -0.24 0.00 -1.51 0.00 0.00 54.79 49.78 1tvi n ASP 31 Cb 0.27 1.66 -0.11 0.00 2.34 0.00 0.00 41.12 45.29 1tvi n ASP 31 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1tvi s VAL 32 N 0.23 1.82 -0.26 5.18 0.11 -1.26 -5.13 120.40 121.09 1tvi s VAL 32 Ca 0.22 -2.12 -0.04 0.00 -2.93 0.00 0.00 61.98 57.11 1tvi s VAL 32 Cb 0.31 -2.63 0.09 0.00 -1.53 0.00 0.00 36.38 32.63 1tvi s VAL 32 CO -0.07 -0.19 0.12 -1.00 -3.33 0.00 0.00 175.10 170.63 1tvi s HIS 33 N -2.88 0.28 -0.27 1.54 3.76 -1.26 -4.89 115.29 111.58 1tvi s HIS 33 Ca 0.32 -0.74 -0.04 0.00 -0.15 0.00 0.00 55.06 54.45 1tvi s HIS 33 Cb 0.05 -0.85 0.02 0.00 1.11 0.00 0.00 32.58 32.91 1tvi s HIS 33 CO 0.15 -0.76 -0.00 0.08 -0.85 0.00 0.00 174.74 173.35 1tvi s VAL 34 N 2.11 3.34 -0.22 -0.90 1.01 -1.26 -3.92 120.40 120.57 1tvi s VAL 34 Ca 0.07 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 1tvi s VAL 34 Cb -0.16 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1tvi s VAL 34 CO -0.31 0.15 0.37 0.20 0.00 0.00 0.00 175.10 175.52 1tvi s ASN 35 N 1.40 6.37 -0.12 3.32 -0.87 -0.63 -1.91 114.94 122.50 1tvi s ASN 35 Ca 0.01 0.44 -0.06 0.00 -1.57 0.00 0.00 52.86 51.68 1tvi s ASN 35 Cb -0.17 -2.22 -0.04 0.00 -0.02 0.00 0.00 41.25 38.81 1tvi s ASN 35 CO -0.02 -0.09 0.10 0.68 -2.57 0.00 0.00 177.10 175.20 1tvi s VAL 36 N 1.45 5.12 -0.35 1.60 -7.23 -0.01 0.16 120.40 121.14 1tvi s VAL 36 Ca 0.17 0.07 -0.05 0.00 -1.81 0.00 0.00 61.98 60.36 1tvi s VAL 36 Cb -0.15 -3.23 0.06 0.00 0.56 0.00 0.00 36.38 33.62 1tvi s VAL 36 CO 0.08 0.58 0.12 -0.63 -0.31 0.00 0.00 175.10 174.94 1tvi s ILE 37 N -0.72 3.60 -0.50 -0.62 -1.09 -0.08 -1.72 121.20 120.07 1tvi s ILE 37 Ca 0.13 -1.35 -0.28 0.00 -2.23 0.00 0.00 60.65 56.91 1tvi s ILE 37 Cb -0.12 -3.12 0.03 0.00 -1.58 0.00 0.00 42.46 37.67 1tvi s ILE 37 CO 0.03 -0.28 1.11 -0.76 -1.23 0.00 0.00 174.94 173.81 1tvi s LEU 38 N 1.34 3.68 -0.02 2.97 1.43 -0.57 0.26 118.68 127.77 1tvi s LEU 38 Ca -0.01 0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1tvi s LEU 38 Cb -0.20 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1tvi s LEU 38 CO 0.01 -1.26 0.07 0.68 0.23 0.00 0.00 176.35 176.08 1tvi s VAL 39 N 4.41 0.01 0.00 -1.59 -7.23 -0.64 -0.79 120.40 114.58 1tvi s VAL 39 Ca 0.45 -0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.52 1tvi s VAL 39 Cb -0.08 -0.14 0.00 0.00 0.56 0.00 0.00 36.38 36.73 1tvi s VAL 39 CO 0.30 -0.05 0.00 -1.20 -0.31 0.00 0.00 175.10 173.83 1tvi n SER 40 N 2.87 0.00 -0.05 4.85 7.64 -1.26 -3.79 113.62 123.88 1tvi n SER 40 Ca -0.13 -0.96 -0.12 0.00 1.01 0.00 0.00 58.87 58.66 1tvi n SER 40 Cb 0.59 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.26 0.00 1.43 4.81 -1.94 1.10 114.58 120.24 1tvi h GLU 41 Ca 0.00 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.00 1tvi h GLU 41 Cb 0.00 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1tvi h GLU 41 CO 0.00 0.56 -0.64 0.22 -0.73 0.00 0.00 179.01 178.42 1tvi h ASP 42 N -0.06 0.00 0.37 1.04 3.58 -1.98 0.36 116.42 119.73 1tvi h ASP 42 Ca 0.03 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.23 1tvi h ASP 42 Cb 0.46 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.52 1tvi h ASP 42 CO 0.01 0.64 -1.08 -0.08 -2.88 0.00 0.00 179.24 175.85 1tvi h GLU 43 N 0.00 0.42 0.00 0.28 4.22 -1.88 -3.23 114.58 114.39 1tvi h GLU 43 Ca -0.01 -0.53 -0.21 0.00 0.08 0.00 0.00 59.36 58.70 1tvi h GLU 43 Cb 1.18 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 1tvi h GLU 43 CO 0.08 1.19 -1.02 0.97 -2.18 0.00 0.00 179.01 178.05 1tvi h ILE 44 N 0.20 1.62 -0.75 2.32 2.10 0.14 -2.66 117.51 120.47 1tvi h ILE 44 Ca -0.11 -3.32 0.14 0.00 1.08 0.00 0.00 64.86 62.65 1tvi h ILE 44 Cb 1.74 2.80 -0.10 0.00 -1.09 0.00 0.00 36.82 40.17 1tvi h ILE 44 CO 0.19 0.92 0.28 0.50 -1.08 0.00 0.00 178.15 178.96 1tvi h LYS 45 N 0.00 0.40 0.00 2.19 3.11 -0.29 0.33 116.57 122.31 1tvi h LYS 45 Ca -0.03 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1tvi h LYS 45 Cb 1.77 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.91 1tvi h LYS 45 CO 0.12 0.27 -0.02 0.93 -2.81 0.00 0.00 179.45 177.94 1tvi h GLU 46 N 0.42 0.01 -1.15 1.90 5.08 -1.61 -2.98 114.58 116.25 1tvi h GLU 46 Ca 0.41 -0.01 0.34 0.00 -1.00 0.00 0.00 59.36 59.10 1tvi h GLU 46 Cb 0.64 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.78 1tvi h GLU 46 CO -0.42 0.95 0.73 1.25 -1.00 0.00 0.00 179.01 180.51 1tvi h LEU 47 N -0.92 0.37 -0.22 1.33 7.12 -1.05 1.68 115.31 123.62 1tvi h LEU 47 Ca -0.00 0.12 -0.10 0.00 0.13 0.00 0.00 57.88 58.03 1tvi h LEU 47 Cb 0.95 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.16 1tvi h LEU 47 CO 0.00 -0.06 -0.26 -1.13 -0.13 0.00 0.00 178.44 176.87 1tvi h ASN 48 N 0.26 0.61 0.85 1.25 -0.73 -0.42 -2.89 115.58 114.52 1tvi h ASN 48 Ca 0.71 -0.49 -0.04 0.00 1.87 0.00 0.00 56.30 58.34 1tvi h ASN 48 Cb 1.96 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 40.37 1tvi h ASN 48 CO -0.39 0.98 -0.21 1.56 -0.37 0.00 0.00 177.43 179.00 1tvi h GLN 49 N 0.26 0.00 -0.07 6.67 4.20 0.14 1.25 115.11 127.55 1tvi h GLN 49 Ca 0.03 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.76 1tvi h GLN 49 Cb 0.83 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 1tvi h GLN 49 CO 0.06 0.21 0.13 1.96 -0.67 0.00 0.00 178.83 180.53 1tvi h GLN 50 N 0.00 0.00 0.00 1.46 4.20 0.21 0.03 115.11 121.02 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 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1tvi h GLN 50 CO 0.03 0.00 -0.33 1.19 -0.67 0.00 0.00 178.83 179.05 1tvi n PHE 51 N -3.46 -0.44 0.36 2.96 3.72 -0.99 -4.79 117.46 114.83 1tvi n PHE 51 Ca -0.01 0.08 0.14 0.00 -0.05 0.00 0.00 57.45 57.61 1tvi n PHE 51 Cb 0.22 0.27 0.46 0.00 -0.94 0.00 0.00 39.48 39.49 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 -1.23 -1.08 2.47 0.14 -3.46 114.38 111.22 1tvi h ARG 52 Ca 0.00 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.44 1tvi h ARG 52 Cb 0.33 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.54 1tvi h ARG 52 CO 0.00 0.00 -0.25 0.41 0.56 0.00 0.00 179.97 180.69 1tvi n GLY 53 N 0.53 1.29 3.51 0.04 0.00 -0.00 -4.86 105.19 105.69 1tvi n GLY 53 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1tvi n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tvi s GLN 54 N -3.11 2.24 -0.74 1.61 -0.21 -1.26 -4.86 119.66 113.33 1tvi s GLN 54 Ca 0.00 -0.89 -0.17 0.00 0.02 0.00 0.00 55.36 54.32 1tvi s GLN 54 Cb 0.00 -2.30 0.16 0.00 1.00 0.00 0.00 33.01 31.87 1tvi s GLN 54 CO 0.00 0.56 0.78 -0.51 -2.12 0.00 0.00 175.29 174.00 1tvi s ASP 55 N -1.44 6.49 -0.30 5.90 1.01 -1.26 -3.49 116.67 123.59 1tvi s ASP 55 Ca 0.16 -2.08 -0.16 0.00 0.71 0.00 0.00 52.55 51.17 1tvi s ASP 55 Cb -0.11 -2.27 0.19 0.00 1.01 0.00 0.00 42.92 41.74 1tvi s ASP 55 CO 0.06 -0.86 1.17 0.00 0.21 0.00 0.00 175.17 175.75 1tvi s ARG 56 N 1.58 0.15 0.80 8.23 1.70 -1.26 -5.14 118.95 125.01 1tvi s ARG 56 Ca 0.17 0.28 -0.12 0.00 -0.47 0.00 0.00 55.73 55.59 1tvi s ARG 56 Cb -0.16 0.06 0.07 0.00 -0.57 0.00 0.00 34.95 34.35 1tvi s ARG 56 CO -0.03 -0.03 1.10 -1.25 -1.08 0.00 0.00 175.30 174.00 1tvi s PRO 57 N 1.31 2.03 0.00 3.89 0.04 -1.26 -4.93 135.00 136.08 1tvi s PRO 57 Ca -0.07 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.59 1tvi s PRO 57 Cb -0.03 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1tvi s PRO 57 CO -0.12 -1.65 0.55 -2.37 0.04 0.00 0.00 177.00 173.44 1tvi n THR 58 N -3.45 0.00 0.00 1.26 5.66 -1.26 -5.02 114.28 111.47 1tvi n THR 58 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1tvi n THR 58 Cb 0.56 0.75 0.00 0.00 -1.55 0.00 0.00 70.33 70.10 1tvi n THR 58 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1tvi n ASP 59 N 0.00 0.00 -3.73 1.09 8.00 -1.26 -4.65 116.55 115.99 1tvi n ASP 59 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 1tvi n ASP 59 Cb 0.54 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.49 1tvi n ASP 59 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1tvi s VAL 60 N 0.00 -0.09 -0.04 2.53 0.11 -1.26 -2.05 120.40 119.60 1tvi s VAL 60 Ca 0.00 0.22 -0.11 0.00 -2.93 0.00 0.00 61.98 59.16 1tvi s VAL 60 Cb 0.00 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.56 1tvi s VAL 60 CO 0.00 0.09 0.31 -0.76 -3.33 0.00 0.00 175.10 171.41 1tvi s LEU 61 N 1.38 4.44 0.05 2.54 1.02 0.27 -4.96 118.68 123.42 1tvi s LEU 61 Ca -0.07 0.77 0.07 0.00 0.02 0.00 0.00 54.13 54.92 1tvi s LEU 61 Cb -0.12 -2.44 -0.03 0.00 0.02 0.00 0.00 46.19 43.62 1tvi s LEU 61 CO -0.06 0.34 -0.16 -0.89 0.02 0.00 0.00 176.35 175.60 1tvi s THR 62 N -1.09 2.94 0.14 5.49 2.01 -1.26 0.30 115.64 124.17 1tvi s THR 62 Ca 0.21 -1.19 -0.26 0.00 0.31 0.00 0.00 61.69 60.76 1tvi s THR 62 Cb -0.15 -2.27 -0.07 0.00 0.01 0.00 0.00 72.50 70.02 1tvi s THR 62 CO 0.11 0.29 0.81 0.12 -0.69 0.00 0.00 174.62 175.25 1tvi s PHE 63 N -0.99 3.87 -0.49 4.92 5.36 -1.24 -4.94 117.98 124.48 1tvi s PHE 63 Ca 0.16 1.64 -0.28 0.00 -0.96 0.00 0.00 56.93 57.49 1tvi s PHE 63 Cb -0.11 -2.83 0.01 0.00 -0.34 0.00 0.00 43.02 39.76 1tvi s PHE 63 CO 0.07 0.43 1.45 -1.25 -1.46 0.00 0.00 175.22 174.46 1tvi s PRO 64 N -0.79 3.39 -0.30 10.12 0.04 -1.26 -4.89 135.00 141.30 1tvi s PRO 64 Ca 0.38 0.72 -0.16 0.00 0.04 0.00 0.00 61.00 61.98 1tvi s PRO 64 Cb -0.23 -4.10 0.18 0.00 0.04 0.00 0.00 34.50 30.39 1tvi s PRO 64 CO 0.26 -1.81 1.16 -0.48 0.04 0.00 0.00 177.00 176.17 1tvi s LEU 65 N 5.98 -0.26 -0.74 -3.56 2.34 -1.26 -5.05 118.68 116.13 1tvi s LEU 65 Ca 0.58 0.23 -0.01 0.00 0.06 0.00 0.00 54.13 54.99 1tvi s LEU 65 Cb -0.13 1.24 0.39 0.00 -0.56 0.00 0.00 46.19 47.14 1tvi s LEU 65 CO 0.29 -0.05 1.92 0.80 -1.06 0.00 0.00 176.35 178.25 1tvi n MET 66 N 5.17 2.82 -0.44 1.48 1.56 -1.26 -4.77 117.12 121.69 1tvi n MET 66 Ca -0.08 -3.56 -0.10 0.00 -0.27 0.00 0.00 57.70 53.70 1tvi n MET 66 Cb 0.54 -2.27 0.08 0.00 2.15 0.00 0.00 33.22 33.72 1tvi n MET 66 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1tvi n GLU 67 N -0.66 -1.28 -0.35 2.12 -0.58 -1.26 -4.87 120.64 113.77 1tvi n GLU 67 Ca 0.55 -0.61 0.03 0.00 -0.42 0.00 0.00 57.16 56.71 1tvi n GLU 67 Cb 0.43 -0.51 0.09 0.00 -0.57 0.00 0.00 31.44 30.88 1tvi n GLU 67 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1tvi n GLU 68 N -2.37 -0.14 0.04 3.49 -0.58 -1.26 -4.38 120.64 115.43 1tvi n GLU 68 Ca 0.05 1.45 0.00 0.00 -0.42 0.00 0.00 57.16 58.24 1tvi n GLU 68 Cb 0.19 -2.15 0.00 0.00 -0.57 0.00 0.00 31.44 28.91 1tvi n GLU 68 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1tvi n ASP 69 N -5.46 0.12 0.01 1.62 8.00 -1.26 -4.89 116.55 114.70 1tvi n ASP 69 Ca 0.13 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1tvi n ASP 69 Cb 0.43 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1tvi n ASP 69 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1tvi n VAL 70 N -2.84 0.00 -3.50 2.53 3.14 -1.26 -4.83 118.33 111.57 1tvi n VAL 70 Ca 0.00 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.17 1tvi n VAL 70 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 1tvi n VAL 70 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tvi n TYR 71 N -2.86 -1.59 -1.98 1.45 9.36 -1.26 -4.84 117.16 115.43 1tvi n TYR 71 Ca 0.00 0.34 0.00 0.00 3.32 0.00 0.00 57.90 61.56 1tvi n TYR 71 Cb 0.00 -1.50 0.00 0.00 -0.63 0.00 0.00 39.34 37.21 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 -0.79 4.72 3.08 2.98 0.00 -1.25 -4.93 105.19 109.00 1tvi n GLY 72 Ca 0.05 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 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 2.28 2.46 -0.20 1.61 -1.05 -1.26 -1.60 118.70 120.94 1tvi s GLU 73 Ca 0.00 -0.64 -0.06 0.00 -0.15 0.00 0.00 54.97 54.12 1tvi s GLU 73 Cb 0.00 -2.09 -0.03 0.00 -0.44 0.00 0.00 34.13 31.57 1tvi s GLU 73 CO 0.00 -0.09 0.02 -1.50 0.95 0.00 0.00 175.26 174.64 1tvi s ILE 74 N 1.05 4.18 -0.02 1.83 2.07 0.42 -3.61 121.20 127.11 1tvi s ILE 74 Ca -0.04 -0.24 -0.25 0.00 -1.41 0.00 0.00 60.65 58.71 1tvi s ILE 74 Cb -0.15 -2.89 -0.04 0.00 0.13 0.00 0.00 42.46 39.51 1tvi s ILE 74 CO -0.04 0.42 0.78 -0.31 -1.91 0.00 0.00 174.94 173.88 1tvi s TYR 75 N 0.94 3.64 0.18 3.50 1.51 0.15 -0.90 117.35 126.37 1tvi s TYR 75 Ca 0.02 1.40 0.10 0.00 -1.01 0.00 0.00 57.07 57.59 1tvi s TYR 75 Cb -0.14 -2.88 -0.04 0.00 -0.11 0.00 0.00 41.96 38.79 1tvi s TYR 75 CO 0.02 0.11 -0.22 0.08 -1.11 0.00 0.00 175.55 174.43 1tvi s VAL 76 N 0.63 2.17 -0.26 0.71 1.01 0.14 0.97 120.40 125.78 1tvi s VAL 76 Ca 0.41 -1.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.38 1tvi s VAL 76 Cb -0.19 -2.03 0.14 0.00 0.00 0.00 0.00 36.38 34.30 1tvi s VAL 76 CO 0.21 -0.18 0.35 0.00 0.00 0.00 0.00 175.10 175.48 1tvi n PRO 78 N 5.35 0.59 0.21 0.00 -0.04 -1.26 -2.78 135.00 137.07 1tvi n PRO 78 Ca -0.02 0.03 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1tvi n PRO 78 Cb 0.49 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.51 -0.47 1.53 7.12 -1.91 -1.16 115.31 119.91 1tvi h LEU 79 Ca 0.00 0.02 -0.14 0.00 0.13 0.00 0.00 57.88 57.89 1tvi h LEU 79 Cb 0.08 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 1tvi h LEU 79 CO 0.00 -0.15 -0.25 0.40 -0.13 0.00 0.00 178.44 178.31 1tvi h ILE 80 N -1.02 1.27 -0.40 4.05 5.03 -1.88 -1.14 117.51 123.42 1tvi h ILE 80 Ca -0.06 -1.42 0.08 0.00 -0.12 0.00 0.00 64.86 63.34 1tvi h ILE 80 Cb 0.46 1.17 -0.07 0.00 -3.03 0.00 0.00 36.82 35.35 1tvi h ILE 80 CO 0.10 0.49 -0.04 0.58 -0.68 0.00 0.00 178.15 178.59 1tvi h VAL 81 N 0.84 0.65 -0.26 1.67 2.07 -1.61 1.30 116.25 120.92 1tvi h VAL 81 Ca 0.10 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1tvi h VAL 81 Cb 0.83 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1tvi h VAL 81 CO 0.07 0.01 0.05 -0.33 0.02 0.00 0.00 177.57 177.39 1tvi h GLU 82 N 0.06 0.42 -0.95 1.57 5.08 -1.07 0.66 114.58 120.35 1tvi h GLU 82 Ca 0.20 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1tvi h GLU 82 Cb 0.29 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1tvi h GLU 82 CO -0.36 0.54 0.63 1.49 -1.00 0.00 0.00 179.01 180.30 1tvi h GLU 83 N 0.24 1.26 -0.13 2.33 4.57 -0.25 -1.38 114.58 121.21 1tvi h GLU 83 Ca 0.08 -0.08 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 1tvi h GLU 83 Cb 0.32 -0.28 0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1tvi h GLU 83 CO 0.00 0.84 -0.66 -0.91 -1.18 0.00 0.00 179.01 177.10 1tvi h ASN 84 N 1.29 0.81 -0.33 1.04 2.35 0.19 -2.88 115.58 118.05 1tvi h ASN 84 Ca 0.35 -0.64 0.10 0.00 -0.55 0.00 0.00 56.30 55.56 1tvi h ASN 84 Cb -0.14 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 37.97 1tvi h ASN 84 CO -0.07 1.31 0.30 0.00 -1.65 0.00 0.00 177.43 177.32 1tvi h ALA 85 N 0.51 2.09 0.16 -0.83 0.00 0.93 1.39 119.26 123.52 1tvi h ALA 85 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1tvi h ALA 85 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1tvi h ALA 85 CO 0.14 -0.47 -0.08 0.00 0.00 0.00 0.00 179.25 178.84 1tvi h ARG 86 N 0.00 -0.20 0.00 0.00 3.08 -1.06 1.87 114.38 118.06 1tvi h ARG 86 Ca 0.16 0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 1tvi h ARG 86 Cb 0.76 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 1tvi h ARG 86 CO -0.00 0.21 -0.56 1.05 -1.07 0.00 0.00 179.97 179.61 1tvi h GLU 87 N -0.73 0.00 -0.66 0.04 4.11 -1.13 -2.82 114.58 113.39 1tvi h GLU 87 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1tvi h GLU 87 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1tvi h GLU 87 CO 0.04 0.56 0.00 0.34 0.07 0.00 0.00 179.01 180.01 1tvi n PHE 88 N -3.70 0.88 -2.53 2.06 7.35 0.46 -4.92 117.46 117.06 1tvi n PHE 88 Ca -0.01 -0.49 -0.01 0.00 -0.76 0.00 0.00 57.45 56.18 1tvi n PHE 88 Cb 0.60 -0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.42 1tvi n PHE 88 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1tvi n ASN 89 N 1.47 -1.01 -4.92 -2.13 4.05 0.57 -4.85 115.26 108.45 1tvi n ASN 89 Ca 0.22 0.46 -0.27 0.00 0.45 0.00 0.00 54.58 55.44 1tvi n ASN 89 Cb 0.59 -1.01 0.04 0.00 1.23 0.00 0.00 39.78 40.64 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 -2.01 5.41 -0.67 1.20 2.47 0.21 -4.95 114.94 116.59 1tvi s ASN 90 Ca 0.02 0.68 -0.18 0.00 0.42 0.00 0.00 52.86 53.80 1tvi s ASN 90 Cb -0.01 -1.58 0.12 0.00 -1.45 0.00 0.00 41.25 38.33 1tvi s ASN 90 CO 0.02 -1.20 0.78 0.42 -3.72 0.00 0.00 177.10 173.40 1tvi s THR 91 N -3.07 4.90 0.36 -5.21 -4.23 -1.26 -4.57 115.64 102.56 1tvi s THR 91 Ca 0.56 -1.26 0.13 0.00 -1.18 0.00 0.00 61.69 59.93 1tvi s THR 91 Cb -0.11 -4.53 0.35 0.00 1.34 0.00 0.00 72.50 69.55 1tvi s THR 91 CO 0.45 -1.17 1.76 0.15 -0.54 0.00 0.00 174.62 175.27 1tvi h PHE 92 N 8.96 0.85 -0.11 3.99 3.57 -1.92 0.62 116.94 132.90 1tvi h PHE 92 Ca -0.18 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.38 1tvi h PHE 92 Cb 1.07 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 1tvi h PHE 92 CO 0.91 0.09 -0.08 1.05 -2.23 0.00 0.00 178.31 178.05 1tvi h GLU 93 N 0.52 -0.09 -0.09 1.11 9.09 -1.91 0.14 114.58 123.34 1tvi h GLU 93 Ca 0.61 0.01 -0.05 0.00 0.05 0.00 0.00 59.36 59.97 1tvi h GLU 93 Cb 1.29 0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 28.41 1tvi h GLU 93 CO -0.37 -0.06 -0.14 -0.22 0.05 0.00 0.00 179.01 178.27 1tvi h LYS 94 N -0.10 0.26 -0.18 1.06 3.11 -1.28 -1.52 116.57 117.93 1tvi h LYS 94 Ca 0.07 -0.15 0.05 0.00 -2.81 0.00 0.00 60.65 57.81 1tvi h LYS 94 Cb 0.20 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.44 1tvi h LYS 94 CO -0.17 0.72 0.39 1.49 -2.81 0.00 0.00 179.45 179.07 1tvi h GLU 95 N -0.18 0.00 0.00 1.90 4.81 0.38 1.02 114.58 122.51 1tvi h GLU 95 Ca 0.01 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1tvi h GLU 95 Cb 0.69 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1tvi h GLU 95 CO 0.03 0.00 -0.37 1.25 -0.73 0.00 0.00 179.01 179.19 1tvi h LEU 96 N 0.00 0.00 -2.16 1.64 5.85 -0.43 -3.23 115.31 116.98 1tvi h LEU 96 Ca 0.08 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1tvi h LEU 96 Cb 0.86 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1tvi h LEU 96 CO -0.00 0.75 0.23 0.17 -0.34 0.00 0.00 178.44 179.24 1tvi h LEU 97 N -1.00 0.00 -0.89 2.25 8.10 -0.33 0.31 115.31 123.75 1tvi h LEU 97 Ca -0.03 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.85 1tvi h LEU 97 Cb 0.43 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.64 1tvi h LEU 97 CO -0.02 0.00 -0.36 1.05 -4.11 0.00 0.00 178.44 175.00 1tvi h GLU 98 N 0.00 0.39 0.00 0.17 -0.00 0.91 -2.06 114.58 113.99 1tvi h GLU 98 Ca 0.11 -0.17 -0.03 0.00 -0.00 0.00 0.00 59.36 59.27 1tvi h GLU 98 Cb 0.56 -0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 29.30 1tvi h GLU 98 CO -0.00 0.70 -0.13 -0.39 -0.00 0.00 0.00 179.01 179.18 1tvi h VAL 99 N 0.33 0.50 0.23 -1.06 -1.51 -0.40 -1.40 116.25 112.94 1tvi h VAL 99 Ca 0.04 -0.64 -0.01 0.00 -1.23 0.00 0.00 66.70 64.85 1tvi h VAL 99 Cb 0.79 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1tvi h VAL 99 CO 0.06 0.13 -0.11 0.58 -1.23 0.00 0.00 177.57 177.00 1tvi h VAL 100 N 0.00 0.39 0.00 7.19 2.07 -1.24 -3.09 116.25 121.56 1tvi h VAL 100 Ca -0.00 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1tvi h VAL 100 Cb 0.43 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1tvi h VAL 100 CO 0.02 0.11 0.05 0.16 0.02 0.00 0.00 177.57 177.93 1tvi h ILE 101 N -1.01 0.00 -0.78 4.57 3.07 -1.34 -1.56 117.51 120.47 1tvi h ILE 101 Ca -0.03 0.00 0.14 0.00 1.55 0.00 0.00 64.86 66.52 1tvi h ILE 101 Cb 0.41 0.64 -0.09 0.00 -0.27 0.00 0.00 36.82 37.51 1tvi h ILE 101 CO 0.05 0.00 0.34 -0.74 -1.05 0.00 0.00 178.15 176.75 1tvi h HIS 102 N 0.00 0.58 0.00 0.16 2.76 -1.17 1.93 115.15 119.42 1tvi h HIS 102 Ca 0.00 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1tvi h HIS 102 Cb 0.11 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 28.93 1tvi h HIS 102 CO 0.00 0.10 -0.00 0.78 -1.30 0.00 0.00 177.93 177.51 1tvi h GLY 103 N 0.49 -0.00 0.56 5.26 0.00 -1.42 -2.66 103.07 105.29 1tvi h GLY 103 Ca 0.42 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.78 1tvi h GLY 103 CO -0.39 -0.00 -0.23 -2.22 0.00 0.00 0.00 176.54 173.70 1tvi h ILE 104 N -0.97 0.48 -0.78 2.60 2.04 -1.45 -0.42 117.51 119.02 1tvi h ILE 104 Ca -0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1tvi h ILE 104 Cb 0.88 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1tvi h ILE 104 CO 0.00 0.00 0.51 0.17 0.00 0.00 0.00 178.15 178.83 1tvi h LEU 105 N -0.41 0.55 -1.20 1.44 8.10 0.29 0.20 115.31 124.28 1tvi h LEU 105 Ca 0.04 0.02 0.20 0.00 0.11 0.00 0.00 57.88 58.25 1tvi h LEU 105 Cb 0.45 -0.09 -0.09 0.00 -0.44 0.00 0.00 40.66 40.49 1tvi h LEU 105 CO -0.15 0.31 0.61 -0.74 -4.11 0.00 0.00 178.44 174.36 1tvi h HIS 106 N 0.60 0.87 0.00 0.17 2.76 -0.70 0.44 115.15 119.28 1tvi h HIS 106 Ca 0.37 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.41 1tvi h HIS 106 Cb 0.62 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.30 1tvi h HIS 106 CO -0.00 0.20 -1.12 1.25 -1.30 0.00 0.00 177.93 176.96 1tvi h LEU 107 N 0.63 0.00 -2.33 0.26 5.85 -0.42 -3.25 115.31 116.05 1tvi h LEU 107 Ca 0.54 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.26 1tvi h LEU 107 Cb 1.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1tvi h LEU 107 CO -0.30 0.61 0.05 0.00 -0.34 0.00 0.00 178.44 178.46 1tvi h ALA 108 N 1.39 1.04 0.00 1.25 0.00 0.17 -3.45 119.26 119.66 1tvi h ALA 108 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1tvi h ALA 108 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1tvi h ALA 108 CO 0.06 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1tvi n GLY 109 N -1.17 2.05 1.66 0.00 0.00 -0.79 -5.06 105.19 101.88 1tvi n GLY 109 Ca -0.02 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1tvi n GLY 109 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1tvi n TYR 110 N -0.97 -4.58 -3.00 1.61 0.18 -1.26 -4.45 117.16 104.68 1tvi n TYR 110 Ca 0.00 2.45 -0.17 0.00 1.88 0.00 0.00 57.90 62.06 1tvi n TYR 110 Cb 0.00 -3.65 -0.02 0.00 -0.38 0.00 0.00 39.34 35.29 1tvi n TYR 110 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1tvi n ASP 111 N -1.10 -1.11 -3.65 9.48 2.03 -1.26 -4.66 116.55 116.27 1tvi n ASP 111 Ca 0.00 -2.98 -0.03 0.00 0.52 0.00 0.00 54.79 52.30 1tvi n ASP 111 Cb 0.06 0.43 -0.07 0.00 -0.72 0.00 0.00 41.12 40.82 1tvi n ASP 111 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1tvi s HIS 112 N -0.43 -0.08 -0.42 -0.67 2.46 -1.26 -5.10 115.29 109.78 1tvi s HIS 112 Ca 0.34 0.19 -0.38 0.00 0.47 0.00 0.00 55.06 55.67 1tvi s HIS 112 Cb 0.20 0.48 -0.16 0.00 -0.13 0.00 0.00 32.58 32.97 1tvi s HIS 112 CO -0.16 -0.04 1.65 0.39 -2.47 0.00 0.00 174.74 174.10 1tvi n GLU 113 N 1.46 0.00 -0.59 2.88 1.02 -1.26 -4.79 120.64 119.36 1tvi n GLU 113 Ca -0.09 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.11 1tvi n GLU 113 Cb 0.57 -1.27 0.20 0.00 -0.02 0.00 0.00 31.44 30.92 1tvi n GLU 113 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1tvi n PHE 114 N 5.31 0.00 -0.35 -0.32 -1.74 -1.26 -4.67 117.46 114.44 1tvi n PHE 114 Ca 0.39 -1.41 0.00 0.00 -0.56 0.00 0.00 57.45 55.88 1tvi n PHE 114 Cb -0.04 -0.24 0.05 0.00 1.52 0.00 0.00 39.48 40.78 1tvi n PHE 114 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 1tvi n GLU 115 N -1.08 -0.19 0.00 3.97 2.13 -1.26 -4.45 120.64 119.76 1tvi n GLU 115 Ca 0.18 1.43 0.00 0.00 0.66 0.00 0.00 57.16 59.43 1tvi n GLU 115 Cb 0.70 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.29 1tvi n GLU 115 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1tvi n ASP 116 N -5.39 0.00 0.00 4.31 5.75 -1.26 -5.03 116.55 114.93 1tvi n ASP 116 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 1tvi n ASP 116 Cb 0.39 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1tvi n ASP 116 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1tvi n LYS 117 N 0.00 0.00 -0.19 0.11 0.00 -1.26 -4.99 118.16 111.82 1tvi n LYS 117 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 1tvi n LYS 117 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 34.94 1tvi n LYS 117 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1tvi h ASN 118 N 0.00 -1.72 0.00 -5.58 4.21 -1.84 -3.46 115.58 107.19 1tvi h ASN 118 Ca 0.00 0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.75 1tvi h ASN 118 Cb 0.00 0.72 0.00 0.00 -1.12 0.00 0.00 38.32 37.92 1tvi h ASN 118 CO 0.00 -0.31 0.00 -1.54 -1.29 0.00 0.00 177.43 174.29 1tvi n SER 119 N -5.03 0.00 0.22 5.81 3.41 -1.26 -5.00 113.62 111.77 1tvi n SER 119 Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.71 1tvi n SER 119 Cb 0.28 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.50 1tvi n SER 119 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1tvi h LYS 120 N 0.00 0.00 -0.03 4.33 2.10 -2.01 -3.23 116.57 117.73 1tvi h LYS 120 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1tvi h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1tvi h LYS 120 CO 0.00 0.08 0.00 1.49 -2.00 0.00 0.00 179.45 179.02 1tvi h GLU 121 N 0.00 0.06 -0.28 0.07 4.57 -2.00 -2.32 114.58 114.67 1tvi h GLU 121 Ca -0.00 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1tvi h GLU 121 Cb 0.93 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 1tvi h GLU 121 CO 0.01 0.34 0.20 1.98 -1.18 0.00 0.00 179.01 180.35 1tvi h MET 122 N -0.23 0.09 0.32 1.92 4.05 -1.96 -2.42 114.93 116.71 1tvi h MET 122 Ca 0.01 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1tvi h MET 122 Cb 0.31 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1tvi h MET 122 CO 0.00 0.06 -0.16 0.35 0.23 0.00 0.00 176.91 177.40 1tvi h PHE 123 N 0.10 -0.40 -1.03 1.39 3.04 -1.53 -3.04 116.94 115.46 1tvi h PHE 123 Ca 0.13 -0.01 0.26 0.00 3.98 0.00 0.00 57.97 62.33 1tvi h PHE 123 Cb 0.39 0.13 -0.10 0.00 2.56 0.00 0.00 35.95 38.94 1tvi h PHE 123 CO -0.00 -0.07 0.66 0.93 -2.02 0.00 0.00 178.31 177.81 1tvi h GLU 124 N -0.80 0.41 -0.88 1.11 4.39 -0.95 0.53 114.58 118.39 1tvi h GLU 124 Ca -0.04 -0.02 0.14 0.00 0.34 0.00 0.00 59.36 59.78 1tvi h GLU 124 Cb 0.52 -0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 28.98 1tvi h GLU 124 CO 0.07 0.27 0.48 -0.22 -1.16 0.00 0.00 179.01 178.45 1tvi h LYS 125 N 0.42 0.66 -0.70 2.33 3.64 -1.35 0.12 116.57 121.70 1tvi h LYS 125 Ca 0.59 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 60.03 1tvi h LYS 125 Cb 1.45 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 33.05 1tvi h LYS 125 CO -0.31 0.44 0.34 0.37 -2.27 0.00 0.00 179.45 178.02 1tvi h GLN 126 N 0.68 0.56 0.00 1.90 4.15 0.06 0.46 115.11 122.92 1tvi h GLN 126 Ca 0.47 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.85 1tvi h GLN 126 Cb 0.64 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 1tvi h GLN 126 CO -0.35 0.37 -0.04 0.87 -1.93 0.00 0.00 178.83 177.75 1tvi h LYS 127 N 0.58 0.00 0.64 1.69 1.57 -0.80 -1.38 116.57 118.87 1tvi h LYS 127 Ca 0.35 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1tvi h LYS 127 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1tvi h LYS 127 CO -0.28 0.04 -0.46 -0.22 -0.57 0.00 0.00 179.45 177.97 1tvi h LYS 128 N 0.00 -1.02 -0.08 3.15 3.64 0.12 0.48 116.57 122.86 1tvi h LYS 128 Ca -0.00 0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.27 1tvi h LYS 128 Cb 0.46 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1tvi h LYS 128 CO 0.01 -0.68 -0.71 1.88 -2.27 0.00 0.00 179.45 177.68 1tvi h TYR 129 N -1.05 0.52 -0.87 1.91 0.05 -1.42 -3.07 116.97 113.04 1tvi h TYR 129 Ca -0.08 -0.22 0.02 0.00 0.05 0.00 0.00 58.73 58.49 1tvi h TYR 129 Cb 0.87 -0.08 -0.05 0.00 1.01 0.00 0.00 36.73 38.48 1tvi h TYR 129 CO -0.15 0.97 0.58 0.28 -1.05 0.00 0.00 178.16 178.79 1tvi h VAL 130 N 0.27 1.20 -0.38 -2.88 2.07 -1.08 0.13 116.25 115.58 1tvi h VAL 130 Ca -0.03 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.12 1tvi h VAL 130 Cb 1.27 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1tvi h VAL 130 CO 0.12 0.21 0.21 -0.33 0.02 0.00 0.00 177.57 177.80 1tvi h GLU 131 N 1.16 0.41 0.12 1.57 5.08 0.06 1.98 114.58 124.96 1tvi h GLU 131 Ca 0.33 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1tvi h GLU 131 Cb -0.09 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1tvi h GLU 131 CO -0.08 0.27 -0.06 0.93 -1.00 0.00 0.00 179.01 179.08 1tvi h GLU 132 N 0.43 -0.15 -0.67 2.33 5.08 -1.36 0.28 114.58 120.51 1tvi h GLU 132 Ca 0.15 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1tvi h GLU 132 Cb 0.03 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1tvi h GLU 132 CO -0.09 0.17 0.32 0.28 -1.00 0.00 0.00 179.01 178.69 1tvi h VAL 133 N -0.49 1.22 0.00 3.13 2.07 -0.58 0.22 116.25 121.82 1tvi h VAL 133 Ca -0.02 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1tvi h VAL 133 Cb 0.39 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1tvi h VAL 133 CO 0.03 0.26 0.00 1.87 0.02 0.00 0.00 177.57 179.74 1tvi n TRP 134 N -4.34 0.52 -0.31 1.57 -0.00 0.67 -3.17 117.44 112.38 1tvi n TRP 134 Ca 0.06 0.17 0.16 0.00 -0.00 0.00 0.00 57.50 57.89 1tvi n TRP 134 Cb 0.13 -0.78 0.41 0.00 -0.00 0.00 0.00 31.31 31.07 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 3.63 1.37 0.00 5.87 0.00 0.30 2.00 103.07 116.24 1tvi h GLY 135 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1tvi h GLY 135 CO 0.00 -0.03 -0.49 -2.09 0.00 0.00 0.00 176.54 173.93 1tvi h GLU 136 N 0.61 0.00 -0.07 4.80 4.81 -1.66 -3.33 114.58 119.73 1tvi h GLU 136 Ca 0.53 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.78 1tvi h GLU 136 Cb 1.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1tvi h GLU 136 CO -0.29 0.19 0.32 2.35 -0.73 0.00 0.00 179.01 180.85 1tvi h TRP 137 N -1.00 0.00 -0.50 0.92 2.91 -1.60 0.37 115.95 117.05 1tvi h TRP 137 Ca -0.05 0.00 0.14 0.00 1.13 0.00 0.00 58.89 60.11 1tvi h TRP 137 Cb 0.54 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.17 1tvi h TRP 137 CO -0.11 0.00 0.36 0.00 -1.03 0.00 0.00 178.44 177.67 1tvi h ARG 138 N 0.00 0.00 0.00 2.65 2.47 0.31 0.68 114.38 120.49 1tvi h ARG 138 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1tvi h ARG 138 Cb 0.67 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 1tvi h ARG 138 CO -0.00 0.00 0.00 0.45 0.56 0.00 0.00 179.97 180.98 1tvi n SER 139 N -4.35 0.00 -3.32 7.04 2.88 0.13 -2.95 113.62 113.05 1tvi n SER 139 Ca 0.09 0.47 -0.26 0.00 -1.33 0.00 0.00 58.87 57.84 1tvi n SER 139 Cb 0.58 -0.48 -0.07 0.00 -0.75 0.00 0.00 64.21 63.49 1tvi n SER 139 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1tvi n ASN 140 N -1.48 2.27 -3.99 -3.46 3.02 0.24 -5.10 115.26 106.76 1tvi n ASN 140 Ca 0.02 -3.13 -0.30 0.00 -0.03 0.00 0.00 54.58 51.13 1tvi n ASN 140 Cb 0.07 -0.66 0.21 0.00 -0.61 0.00 0.00 39.78 38.80 1tvi n ASN 140 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1tvi s PRO 141 N -1.96 -0.26 0.50 3.52 0.04 -1.15 -4.90 135.00 130.79 1tvi s PRO 141 Ca 0.38 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1tvi s PRO 141 Cb 0.16 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1tvi s PRO 141 CO -0.05 -3.04 0.00 0.43 0.04 0.00 0.00 177.00 174.37 1tvi n SER 142 N -4.25 -2.10 -0.24 6.66 7.64 -1.26 -4.73 113.62 115.34 1tvi n SER 142 Ca 0.14 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1tvi n SER 142 Cb 0.59 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 -0.89 0.00 -2.25 1.43 -0.58 -1.26 -4.93 120.64 112.16 1tvi n GLU 143 Ca 0.00 -0.62 -0.02 0.00 -0.42 0.00 0.00 57.16 56.10 1tvi n GLU 143 Cb 0.05 -0.42 0.00 0.00 -0.57 0.00 0.00 31.44 30.50 1tvi n GLU 143 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1tvi n ASP 144 N 0.00 -4.99 -2.73 1.62 2.03 -1.26 -5.05 116.55 106.17 1tvi n ASP 144 Ca 0.00 0.09 -0.05 0.00 0.52 0.00 0.00 54.79 55.36 1tvi n ASP 144 Cb 0.58 -3.22 0.03 0.00 -0.72 0.00 0.00 41.12 37.79 1tvi n ASP 144 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1tvi n SER 145 N -0.97 -2.72 -3.85 1.67 2.88 -1.26 -5.15 113.62 104.21 1tvi n SER 145 Ca 0.03 -2.46 -0.12 0.00 -1.33 0.00 0.00 58.87 54.99 1tvi n SER 145 Cb 0.39 1.46 -0.10 0.00 -0.75 0.00 0.00 64.21 65.21 1tvi n SER 145 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1tvi s ASP 146 N 0.28 -0.03 -0.03 -3.46 2.15 -1.26 -5.07 116.67 109.25 1tvi s ASP 146 Ca 0.29 -0.10 -0.23 0.00 0.43 0.00 0.00 52.55 52.93 1tvi s ASP 146 Cb 0.09 0.24 -0.22 0.00 -0.30 0.00 0.00 42.92 42.73 1tvi s ASP 146 CO -0.11 -0.36 1.08 1.55 -0.17 0.00 0.00 175.17 177.17 1tvi h PRO 147 N 4.34 0.23 0.00 4.34 0.13 -2.08 -3.48 132.00 135.48 1tvi h PRO 147 Ca -0.30 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1tvi h PRO 147 Cb 1.19 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1tvi h PRO 147 CO 0.40 0.92 0.00 0.41 -0.23 0.00 0.00 178.00 179.51 1tvi n GLY 148 N 0.94 1.59 3.68 1.56 0.00 -1.26 -5.11 105.19 106.59 1tvi n GLY 148 Ca -0.09 0.22 -0.45 0.00 0.00 0.00 0.00 46.02 45.69 1tvi n GLY 148 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1tvi n LYS 149 N 0.00 2.33 0.00 1.61 4.81 -1.26 -5.33 118.16 120.32 1tvi n LYS 149 Ca 0.00 0.84 0.05 0.00 -0.87 0.00 0.00 58.31 58.33 1tvi n LYS 149 Cb 0.00 -2.64 0.04 0.00 0.02 0.00 0.00 35.03 32.45 1tvi n LYS 149 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11