#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 4.53 -0.21 3.17 1.09 -1.26 -4.55 121.20 123.98 1tvi s ILE 2 Ca 0.00 -0.23 -0.16 0.00 -1.10 0.00 0.00 60.65 59.16 1tvi s ILE 2 Cb 0.00 -2.95 -0.04 0.00 -1.06 0.00 0.00 42.46 38.42 1tvi s ILE 2 CO 0.00 0.56 0.42 -0.60 -0.10 0.00 0.00 174.94 175.22 1tvi s ARG 3 N -1.07 4.17 -0.17 2.79 6.06 -0.74 -4.98 118.95 125.01 1tvi s ARG 3 Ca 0.15 0.23 -0.03 0.00 -2.50 0.00 0.00 55.73 53.58 1tvi s ARG 3 Cb -0.12 -3.55 -0.02 0.00 0.06 0.00 0.00 34.95 31.32 1tvi s ARG 3 CO 0.05 -0.07 -0.04 0.42 -2.50 0.00 0.00 175.30 173.15 1tvi s ILE 4 N 1.42 3.74 0.10 4.11 1.01 -1.26 -1.35 121.20 128.97 1tvi s ILE 4 Ca 0.20 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 1tvi s ILE 4 Cb -0.15 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 1tvi s ILE 4 CO 0.08 0.48 0.06 -1.48 0.00 0.00 0.00 174.94 174.09 1tvi s LEU 5 N 0.59 1.90 0.00 2.97 2.34 0.36 -4.94 118.68 121.90 1tvi s LEU 5 Ca -0.03 -1.04 0.00 0.00 0.06 0.00 0.00 54.13 53.12 1tvi s LEU 5 Cb -0.14 0.44 0.00 0.00 -0.56 0.00 0.00 46.19 45.92 1tvi s LEU 5 CO 0.03 -0.70 0.00 0.61 -1.06 0.00 0.00 176.35 175.22 1tvi n GLY 6 N -0.03 -0.19 3.61 -3.48 0.00 -1.26 -1.14 105.19 102.69 1tvi n GLY 6 Ca -0.10 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 1tvi n GLY 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tvi s GLU 7 N 0.00 0.75 0.00 1.61 -1.05 0.30 -4.79 118.70 115.51 1tvi s GLU 7 Ca 0.00 0.68 0.00 0.00 -0.15 0.00 0.00 54.97 55.50 1tvi s GLU 7 Cb 0.00 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 1tvi s GLU 7 CO 0.00 -0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.49 1tvi n GLY 8 N 2.07 4.58 3.38 -3.83 0.00 -1.26 -3.49 105.19 106.64 1tvi n GLY 8 Ca -0.14 -1.17 -0.50 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.64 0.01 0.00 1.61 4.81 -1.26 -3.54 118.16 118.15 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 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.54 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 6.98 0.14 0.20 3.14 0.00 -1.26 -4.69 105.19 109.70 1tvi n GLY 10 Ca 0.61 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.84 1.61 0.87 -1.97 0.41 113.55 113.27 1tvi h SER 11 Ca 0.00 -0.12 0.11 0.00 -1.23 0.00 0.00 61.79 60.54 1tvi h SER 11 Cb 0.00 0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 61.99 1tvi h SER 11 CO 0.00 -0.07 0.55 0.11 -0.53 0.00 0.00 176.83 176.88 1tvi h LYS 12 N -0.65 0.75 0.00 2.24 1.79 -1.94 0.93 116.57 119.69 1tvi h LYS 12 Ca -0.04 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.25 1tvi h LYS 12 Cb 0.46 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 1tvi h LYS 12 CO 0.07 0.50 -0.63 1.25 -1.08 0.00 0.00 179.45 179.56 1tvi h LEU 13 N 0.77 0.00 0.07 2.94 5.85 -1.87 -2.88 115.31 120.19 1tvi h LEU 13 Ca 0.40 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.11 1tvi h LEU 13 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1tvi h LEU 13 CO -0.16 0.63 -0.03 0.25 -0.34 0.00 0.00 178.44 178.79 1tvi h LEU 14 N 0.00 -0.08 -1.83 2.25 7.12 0.38 -3.08 115.31 120.07 1tvi h LEU 14 Ca -0.01 -0.55 0.02 0.00 0.13 0.00 0.00 57.88 57.47 1tvi h LEU 14 Cb 1.12 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 41.27 1tvi h LEU 14 CO 0.08 0.59 0.41 -0.33 -0.13 0.00 0.00 178.44 179.07 1tvi h GLU 15 N -0.83 0.00 0.01 1.25 5.08 0.65 0.96 114.58 121.70 1tvi h GLU 15 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1tvi h GLU 15 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1tvi h GLU 15 CO 0.02 0.00 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.11 1tvi h ASN 16 N 0.00 -0.01 -0.79 1.42 2.35 -1.42 -3.29 115.58 113.84 1tvi h ASN 16 Ca 0.03 -0.63 -0.53 0.00 -0.55 0.00 0.00 56.30 54.62 1tvi h ASN 16 Cb 0.86 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 38.92 1tvi h ASN 16 CO -0.00 0.63 0.06 0.00 -1.65 0.00 0.00 177.43 176.47 1tvi n LEU 17 N -4.79 5.97 0.25 1.61 -0.00 0.72 -4.69 117.00 116.07 1tvi n LEU 17 Ca -0.09 -4.33 -0.13 0.00 -0.00 0.00 0.00 56.01 51.46 1tvi n LEU 17 Cb 0.32 -0.67 -0.07 0.00 -0.00 0.00 0.00 43.42 43.00 1tvi n LEU 17 CO 0.33 1.65 0.38 0.50 -0.00 0.00 0.00 177.39 180.25 1tvi h LYS 18 N 1.82 -0.67 -0.24 1.47 3.64 0.70 -2.88 116.57 120.41 1tvi h LYS 18 Ca 0.45 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.94 1tvi h LYS 18 Cb 1.36 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.32 1tvi h LYS 18 CO 1.04 -0.38 0.17 0.93 -2.27 0.00 0.00 179.45 178.94 1tvi h GLU 19 N -1.09 0.02 -0.84 1.90 5.08 -1.84 0.11 114.58 117.92 1tvi h GLU 19 Ca -0.07 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1tvi h GLU 19 Cb 0.59 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 1tvi h GLU 19 CO 0.12 0.01 0.53 -0.22 -1.00 0.00 0.00 179.01 178.45 1tvi h LYS 20 N 0.02 0.97 0.01 2.33 1.63 -1.85 -1.15 116.57 118.53 1tvi h LYS 20 Ca 0.11 -0.06 -0.22 0.00 -0.85 0.00 0.00 60.65 59.64 1tvi h LYS 20 Cb 0.43 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1tvi h LYS 20 CO -0.00 0.64 -0.94 -0.07 -3.45 0.00 0.00 179.45 175.62 1tvi h LEU 21 N 0.99 0.40 -2.81 5.20 3.38 -0.82 -2.99 115.31 118.67 1tvi h LEU 21 Ca 0.35 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1tvi h LEU 21 Cb 0.09 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1tvi h LEU 21 CO -0.14 1.14 0.06 -0.33 0.09 0.00 0.00 178.44 179.25 1tvi h GLU 22 N 0.16 0.00 0.06 1.13 5.08 -0.04 0.19 114.58 121.16 1tvi h GLU 22 Ca -0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1tvi h GLU 22 Cb 1.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1tvi h GLU 22 CO 0.15 0.00 -0.03 0.93 -1.00 0.00 0.00 179.01 179.07 1tvi h GLU 23 N 0.00 -0.07 -0.41 2.33 5.08 -1.15 0.14 114.58 120.50 1tvi h GLU 23 Ca 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1tvi h GLU 23 Cb 0.11 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1tvi h GLU 23 CO -0.00 0.53 0.22 -0.84 -1.00 0.00 0.00 179.01 177.92 1tvi h ILE 24 N -0.87 1.15 -0.68 3.13 3.07 -1.42 0.73 117.51 122.63 1tvi h ILE 24 Ca -0.01 -0.40 -0.04 0.00 1.55 0.00 0.00 64.86 65.96 1tvi h ILE 24 Cb 0.64 0.68 -0.03 0.00 -0.27 0.00 0.00 36.82 37.84 1tvi h ILE 24 CO 0.01 0.16 0.28 1.62 -1.05 0.00 0.00 178.15 179.17 1tvi h VAL 25 N 0.53 1.24 -0.55 0.16 3.04 -1.09 -1.02 116.25 118.55 1tvi h VAL 25 Ca 0.14 -0.75 -0.10 0.00 -1.01 0.00 0.00 66.70 64.99 1tvi h VAL 25 Cb 0.06 0.47 -0.02 0.00 -2.01 0.00 0.00 31.29 29.79 1tvi h VAL 25 CO -0.02 0.30 -0.04 0.50 -1.01 0.00 0.00 177.57 177.29 1tvi h LYS 26 N 0.96 0.97 0.61 4.17 3.64 -0.43 0.50 116.57 127.00 1tvi h LYS 26 Ca 0.23 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1tvi h LYS 26 Cb 0.20 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1tvi h LYS 26 CO -0.02 0.98 -0.39 -0.22 -2.27 0.00 0.00 179.45 177.53 1tvi h LYS 27 N 0.89 -0.91 -0.52 1.90 3.64 0.10 -3.10 116.57 118.56 1tvi h LYS 27 Ca 0.15 0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.65 1tvi h LYS 27 Cb 0.58 0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 32.52 1tvi h LYS 27 CO 0.03 -0.61 -0.50 1.49 -2.27 0.00 0.00 179.45 177.60 1tvi h GLU 28 N -0.95 -0.23 0.00 1.90 4.22 -1.18 -3.44 114.58 114.90 1tvi h GLU 28 Ca -0.08 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1tvi h GLU 28 Cb 0.76 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1tvi h GLU 28 CO 0.07 -0.16 0.00 1.51 -2.18 0.00 0.00 179.01 178.26 1tvi n ILE 29 N -5.03 0.00 0.00 2.32 3.06 -0.92 -5.08 119.36 113.71 1tvi n ILE 29 Ca -0.02 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.23 1tvi n ILE 29 Cb 0.28 -0.28 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1tvi n ILE 29 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1tvi n GLY 30 N 0.16 0.56 2.70 4.50 0.00 0.12 -4.79 105.19 108.44 1tvi n GLY 30 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -1.81 -4.42 1.61 -0.08 -1.26 -4.94 116.55 105.64 1tvi n ASP 31 Ca 0.00 -2.69 -0.21 0.00 -1.51 0.00 0.00 54.79 50.38 1tvi n ASP 31 Cb 0.00 1.40 -0.10 0.00 2.34 0.00 0.00 41.12 44.76 1tvi n ASP 31 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1tvi s VAL 32 N 0.17 1.81 -0.26 5.18 1.01 -1.26 -5.11 120.40 121.94 1tvi s VAL 32 Ca 0.19 -2.18 -0.03 0.00 0.00 0.00 0.00 61.98 59.95 1tvi s VAL 32 Cb 0.29 -2.35 0.10 0.00 0.00 0.00 0.00 36.38 34.42 1tvi s VAL 32 CO -0.09 -0.38 0.18 -1.00 0.00 0.00 0.00 175.10 173.82 1tvi s HIS 33 N -2.91 -0.01 -0.33 5.22 3.76 -1.26 -4.83 115.29 114.93 1tvi s HIS 33 Ca 0.28 -0.43 -0.09 0.00 -0.15 0.00 0.00 55.06 54.67 1tvi s HIS 33 Cb 0.02 -0.66 0.01 0.00 1.11 0.00 0.00 32.58 33.05 1tvi s HIS 33 CO 0.11 -0.77 0.15 0.08 -0.85 0.00 0.00 174.74 173.46 1tvi s VAL 34 N 2.21 4.36 -0.42 -0.90 1.01 -1.26 -3.86 120.40 121.54 1tvi s VAL 34 Ca 0.08 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 1tvi s VAL 34 Cb -0.15 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1tvi s VAL 34 CO -0.28 -0.05 0.56 0.20 0.00 0.00 0.00 175.10 175.53 1tvi s ASN 35 N 1.54 6.28 -0.12 3.32 -0.87 -0.71 -1.79 114.94 122.59 1tvi s ASN 35 Ca 0.03 -0.38 -0.12 0.00 -1.57 0.00 0.00 52.86 50.82 1tvi s ASN 35 Cb -0.18 -2.28 -0.05 0.00 -0.02 0.00 0.00 41.25 38.72 1tvi s ASN 35 CO 0.05 -0.66 0.25 0.68 -2.57 0.00 0.00 177.10 174.85 1tvi s VAL 36 N 2.53 5.32 -0.34 1.60 -7.23 -0.45 0.11 120.40 121.93 1tvi s VAL 36 Ca 0.19 0.47 -0.04 0.00 -1.81 0.00 0.00 61.98 60.79 1tvi s VAL 36 Cb -0.15 -3.56 0.06 0.00 0.56 0.00 0.00 36.38 33.28 1tvi s VAL 36 CO 0.16 0.50 0.08 -0.63 -0.31 0.00 0.00 175.10 174.91 1tvi s ILE 37 N -0.30 3.34 -0.24 -0.62 1.09 0.16 -0.48 121.20 124.14 1tvi s ILE 37 Ca 0.17 -1.44 -0.29 0.00 -1.10 0.00 0.00 60.65 57.99 1tvi s ILE 37 Cb -0.13 -2.99 0.01 0.00 -1.06 0.00 0.00 42.46 38.29 1tvi s ILE 37 CO 0.05 -0.26 1.06 -0.76 -0.10 0.00 0.00 174.94 174.93 1tvi s LEU 38 N 1.28 4.07 -0.07 2.97 1.43 -0.29 -0.99 118.68 127.08 1tvi s LEU 38 Ca -0.01 1.33 -0.05 0.00 -1.03 0.00 0.00 54.13 54.38 1tvi s LEU 38 Cb -0.20 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.50 1tvi s LEU 38 CO -0.00 -0.72 0.17 0.68 0.23 0.00 0.00 176.35 176.70 1tvi s VAL 39 N 3.31 -0.02 0.00 -1.59 -7.23 -0.59 -0.54 120.40 113.74 1tvi s VAL 39 Ca 0.45 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.69 1tvi s VAL 39 Cb -0.15 -0.25 0.00 0.00 0.56 0.00 0.00 36.38 36.54 1tvi s VAL 39 CO 0.08 0.03 0.00 -1.54 -0.31 0.00 0.00 175.10 173.36 1tvi n SER 40 N 3.50 -0.42 0.08 4.85 3.41 -1.26 -3.73 113.62 120.05 1tvi n SER 40 Ca -0.18 -0.32 -0.13 0.00 -0.26 0.00 0.00 58.87 57.98 1tvi n SER 40 Cb 0.56 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.43 1tvi n SER 40 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1tvi h GLU 41 N 0.00 -0.21 -0.34 4.33 4.81 -1.94 -0.56 114.58 120.67 1tvi h GLU 41 Ca 0.00 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1tvi h GLU 41 Cb 0.00 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1tvi h GLU 41 CO 0.00 0.15 -0.09 0.22 -0.73 0.00 0.00 179.01 178.57 1tvi h ASP 42 N -0.63 0.67 -1.00 1.04 3.58 -1.98 0.54 116.42 118.65 1tvi h ASP 42 Ca -0.02 -0.37 0.11 0.00 0.42 0.00 0.00 57.03 57.17 1tvi h ASP 42 Cb 0.46 -0.18 -0.08 0.00 1.72 0.00 0.00 39.33 41.25 1tvi h ASP 42 CO 0.04 0.88 0.63 -0.33 -2.88 0.00 0.00 179.24 177.58 1tvi h GLU 43 N 0.44 1.00 0.07 0.28 4.39 -1.90 -0.47 114.58 118.40 1tvi h GLU 43 Ca 0.09 -0.06 -0.25 0.00 0.34 0.00 0.00 59.36 59.47 1tvi h GLU 43 Cb 0.59 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1tvi h GLU 43 CO 0.03 0.66 -1.18 0.97 -1.16 0.00 0.00 179.01 178.33 1tvi h ILE 44 N 1.03 1.54 -0.64 3.13 2.10 -0.85 -2.13 117.51 121.69 1tvi h ILE 44 Ca 0.48 -3.18 0.14 0.00 1.08 0.00 0.00 64.86 63.37 1tvi h ILE 44 Cb 0.41 2.88 -0.11 0.00 -1.09 0.00 0.00 36.82 38.91 1tvi h ILE 44 CO -0.23 0.91 0.03 0.50 -1.08 0.00 0.00 178.15 178.27 1tvi h LYS 45 N 0.04 0.13 0.00 2.19 3.11 0.17 0.46 116.57 122.68 1tvi h LYS 45 Ca -0.10 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.73 1tvi h LYS 45 Cb 1.90 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 33.10 1tvi h LYS 45 CO 0.17 0.09 -0.02 0.93 -2.81 0.00 0.00 179.45 177.81 1tvi h GLU 46 N 0.14 0.01 -1.31 1.90 5.08 -1.45 -3.22 114.58 115.72 1tvi h GLU 46 Ca 0.34 -0.01 0.39 0.00 -1.00 0.00 0.00 59.36 59.08 1tvi h GLU 46 Cb 0.56 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.72 1tvi h GLU 46 CO -0.53 0.96 0.89 1.25 -1.00 0.00 0.00 179.01 180.58 1tvi h LEU 47 N -0.95 0.20 0.12 1.33 7.12 -0.85 1.20 115.31 123.47 1tvi h LEU 47 Ca -0.00 0.07 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 1tvi h LEU 47 Cb 0.97 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.15 1tvi h LEU 47 CO 0.00 -0.04 -0.06 -1.13 -0.13 0.00 0.00 178.44 177.09 1tvi h ASN 48 N 0.13 -0.13 0.72 1.25 -0.73 -0.13 -2.78 115.58 113.91 1tvi h ASN 48 Ca 0.71 -0.23 -0.04 0.00 1.87 0.00 0.00 56.30 58.61 1tvi h ASN 48 Cb 2.40 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 41.02 1tvi h ASN 48 CO -0.22 0.16 -0.20 -0.61 -0.37 0.00 0.00 177.43 176.19 1tvi h GLN 49 N -0.44 0.00 -0.06 6.67 4.15 0.13 1.58 115.11 127.15 1tvi h GLN 49 Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.42 1tvi h GLN 49 Cb 0.36 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.05 1tvi h GLN 49 CO 0.03 0.20 0.10 1.96 -1.93 0.00 0.00 178.83 179.19 1tvi h GLN 50 N 0.00 0.00 0.00 1.69 4.20 0.13 -0.38 115.11 120.75 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 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1tvi h GLN 50 CO 0.03 0.00 -0.41 1.19 -0.67 0.00 0.00 178.83 178.97 1tvi n PHE 51 N -3.49 -0.26 0.23 2.96 3.72 -0.92 -4.79 117.46 114.91 1tvi n PHE 51 Ca -0.01 0.05 0.11 0.00 -0.05 0.00 0.00 57.45 57.54 1tvi n PHE 51 Cb 0.19 0.25 0.52 0.00 -0.94 0.00 0.00 39.48 39.50 1tvi n PHE 51 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1tvi h ARG 52 N 0.00 0.00 0.00 -1.08 9.65 0.22 -3.46 114.38 119.71 1tvi h ARG 52 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1tvi h ARG 52 Cb 0.41 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1tvi h ARG 52 CO 0.00 0.20 0.00 0.41 2.80 0.00 0.00 179.97 183.38 1tvi n GLY 53 N -0.02 0.33 3.70 2.80 0.00 -0.15 -4.89 105.19 106.95 1tvi n GLY 53 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.76 2.57 -0.56 1.61 -2.07 -1.26 -4.84 119.66 114.35 1tvi s GLN 54 Ca 0.00 -0.86 -0.08 0.00 -1.82 0.00 0.00 55.36 52.59 1tvi s GLN 54 Cb 0.00 -2.54 0.14 0.00 -1.09 0.00 0.00 33.01 29.53 1tvi s GLN 54 CO 0.00 0.53 0.43 0.34 -1.32 0.00 0.00 175.29 175.27 1tvi s ASP 55 N -2.44 5.75 -0.29 12.60 3.68 -1.26 -1.86 116.67 132.84 1tvi s ASP 55 Ca 0.26 -2.26 -0.19 0.00 2.13 0.00 0.00 52.55 52.50 1tvi s ASP 55 Cb -0.11 -2.00 0.17 0.00 -1.45 0.00 0.00 42.92 39.53 1tvi s ASP 55 CO 0.19 -0.60 1.17 0.00 0.13 0.00 0.00 175.17 176.06 1tvi s ARG 56 N 0.83 0.22 0.89 4.34 1.04 -1.26 -5.10 118.95 119.92 1tvi s ARG 56 Ca 0.10 0.34 -0.12 0.00 -1.04 0.00 0.00 55.73 55.01 1tvi s ARG 56 Cb -0.22 0.07 0.13 0.00 -2.04 0.00 0.00 34.95 32.88 1tvi s ARG 56 CO -0.03 -0.04 1.13 -1.25 -0.04 0.00 0.00 175.30 175.08 1tvi s PRO 57 N 0.84 1.28 0.29 3.89 0.04 -1.26 -4.76 135.00 135.33 1tvi s PRO 57 Ca -0.04 0.34 -0.13 0.00 0.04 0.00 0.00 61.00 61.21 1tvi s PRO 57 Cb -0.04 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1tvi s PRO 57 CO -0.12 -2.11 0.57 -0.08 0.04 0.00 0.00 177.00 175.30 1tvi s THR 58 N -3.27 0.00 -0.01 1.26 -1.32 -1.26 -5.07 115.64 105.97 1tvi s THR 58 Ca 0.63 -1.31 -0.24 0.00 -1.21 0.00 0.00 61.69 59.57 1tvi s THR 58 Cb -0.15 -2.36 -0.16 0.00 -1.51 0.00 0.00 72.50 68.32 1tvi s THR 58 CO 0.53 0.00 1.12 -0.78 -2.21 0.00 0.00 174.62 173.28 1tvi h ASP 59 N 2.14 -0.32 -3.70 8.08 3.58 -1.95 -3.44 116.42 120.82 1tvi h ASP 59 Ca -0.26 -0.21 -0.08 0.00 0.42 0.00 0.00 57.03 56.89 1tvi h ASP 59 Cb 1.25 0.08 -0.23 0.00 1.72 0.00 0.00 39.33 42.15 1tvi h ASP 59 CO 0.35 0.10 -0.12 0.54 -2.88 0.00 0.00 179.24 177.23 1tvi s VAL 60 N -4.28 -0.00 -0.18 2.25 0.11 -1.26 -3.76 120.40 113.28 1tvi s VAL 60 Ca -0.14 0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 58.79 1tvi s VAL 60 Cb 0.02 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1tvi s VAL 60 CO 0.51 0.01 0.33 -0.76 -3.33 0.00 0.00 175.10 171.86 1tvi s LEU 61 N 0.63 4.21 0.05 2.54 1.02 0.16 -5.00 118.68 122.29 1tvi s LEU 61 Ca -0.03 0.50 0.03 0.00 0.02 0.00 0.00 54.13 54.66 1tvi s LEU 61 Cb -0.05 -2.42 -0.04 0.00 0.02 0.00 0.00 46.19 43.70 1tvi s LEU 61 CO -0.04 0.03 0.01 -0.89 0.02 0.00 0.00 176.35 175.48 1tvi s THR 62 N 0.80 4.10 -0.08 5.49 2.01 -1.26 -0.46 115.64 126.25 1tvi s THR 62 Ca 0.17 -0.82 -0.23 0.00 0.31 0.00 0.00 61.69 61.13 1tvi s THR 62 Cb -0.14 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1tvi s THR 62 CO 0.06 0.22 0.68 0.12 -0.69 0.00 0.00 174.62 175.01 1tvi s PHE 63 N -1.23 3.56 -0.44 4.92 5.36 -1.26 -4.91 117.98 123.99 1tvi s PHE 63 Ca 0.24 1.20 -0.29 0.00 -0.96 0.00 0.00 56.93 57.12 1tvi s PHE 63 Cb -0.12 -2.78 0.01 0.00 -0.34 0.00 0.00 43.02 39.79 1tvi s PHE 63 CO 0.15 0.08 1.43 -1.25 -1.46 0.00 0.00 175.22 174.17 1tvi s PRO 64 N 0.84 3.50 -0.29 10.12 0.04 -1.26 -4.93 135.00 143.02 1tvi s PRO 64 Ca 0.36 0.85 -0.17 0.00 0.04 0.00 0.00 61.00 62.09 1tvi s PRO 64 Cb -0.17 -4.05 0.15 0.00 0.04 0.00 0.00 34.50 30.46 1tvi s PRO 64 CO 0.17 -1.66 1.01 -0.48 0.04 0.00 0.00 177.00 176.08 1tvi s LEU 65 N 5.65 -0.46 -0.56 -3.56 2.34 -1.26 -5.11 118.68 115.72 1tvi s LEU 65 Ca 0.60 0.74 0.04 0.00 0.06 0.00 0.00 54.13 55.57 1tvi s LEU 65 Cb -0.13 1.68 0.14 0.00 -0.56 0.00 0.00 46.19 47.32 1tvi s LEU 65 CO 0.31 -0.12 0.33 -0.04 -1.06 0.00 0.00 176.35 175.78 1tvi s MET 66 N 1.22 2.01 0.38 1.48 -1.94 -1.26 -4.96 119.30 116.22 1tvi s MET 66 Ca -0.08 -2.75 0.01 0.00 -1.71 0.00 0.00 55.69 51.16 1tvi s MET 66 Cb -0.04 -3.17 -0.00 0.00 2.01 0.00 0.00 34.83 33.63 1tvi s MET 66 CO -0.14 -1.18 0.03 0.39 -0.01 0.00 0.00 175.02 174.12 1tvi n GLU 67 N 2.80 0.91 -0.26 2.03 1.02 -1.26 -4.95 120.64 120.94 1tvi n GLU 67 Ca 0.11 -2.90 -0.07 0.00 -0.02 0.00 0.00 57.16 54.28 1tvi n GLU 67 Cb 0.34 1.00 -0.06 0.00 -0.02 0.00 0.00 31.44 32.69 1tvi n GLU 67 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1tvi n GLU 68 N -0.93 -0.27 0.00 3.49 1.02 -1.26 -4.38 120.64 118.31 1tvi n GLU 68 Ca -0.13 1.22 0.00 0.00 -0.02 0.00 0.00 57.16 58.23 1tvi n GLU 68 Cb 0.51 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1tvi n GLU 68 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1tvi n ASP 69 N -4.40 0.00 0.06 1.62 5.68 -1.26 -4.64 116.55 113.61 1tvi n ASP 69 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1tvi n ASP 69 Cb 0.16 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1tvi n ASP 69 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1tvi n VAL 70 N -1.67 0.00 -3.74 2.12 3.14 -1.26 -4.48 118.33 112.43 1tvi n VAL 70 Ca 0.00 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.11 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 -3.02 -1.52 -3.25 1.45 9.36 -1.25 -4.83 117.16 114.10 1tvi n TYR 71 Ca 0.00 0.44 0.00 0.00 3.32 0.00 0.00 57.90 61.66 1tvi n TYR 71 Cb 0.00 -1.71 0.00 0.00 -0.63 0.00 0.00 39.34 37.00 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 -0.89 4.50 2.94 2.98 0.00 -1.25 -4.96 105.19 108.51 1tvi n GLY 72 Ca 0.07 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.45 1.74 0.02 1.61 -1.05 -1.26 -1.74 118.70 117.57 1tvi s GLU 73 Ca 0.00 -0.69 0.02 0.00 -0.15 0.00 0.00 54.97 54.14 1tvi s GLU 73 Cb 0.00 -2.23 -0.04 0.00 -0.44 0.00 0.00 34.13 31.42 1tvi s GLU 73 CO 0.00 -0.43 0.03 0.96 0.95 0.00 0.00 175.26 176.76 1tvi s ILE 74 N 1.51 4.30 -0.04 1.83 -4.36 0.12 -4.09 121.20 120.46 1tvi s ILE 74 Ca -0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 60.65 59.77 1tvi s ILE 74 Cb -0.16 -2.96 -0.03 0.00 1.25 0.00 0.00 42.46 40.56 1tvi s ILE 74 CO -0.08 0.32 -0.02 -0.31 0.24 0.00 0.00 174.94 175.09 1tvi s TYR 75 N -1.16 3.06 0.11 1.37 1.51 0.39 0.40 117.35 123.03 1tvi s TYR 75 Ca 0.22 0.10 0.05 0.00 -1.01 0.00 0.00 57.07 56.42 1tvi s TYR 75 Cb -0.12 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 1tvi s TYR 75 CO 0.13 0.43 -0.12 0.08 -1.11 0.00 0.00 175.55 174.96 1tvi s VAL 76 N -0.95 1.16 -0.28 0.71 1.01 -0.16 -0.66 120.40 121.23 1tvi s VAL 76 Ca 0.16 -1.71 -0.03 0.00 0.00 0.00 0.00 61.98 60.39 1tvi s VAL 76 Cb -0.11 -1.49 0.11 0.00 0.00 0.00 0.00 36.38 34.89 1tvi s VAL 76 CO 0.05 -0.50 0.18 0.00 0.00 0.00 0.00 175.10 174.83 1tvi n PRO 78 N 5.27 0.75 -0.00 0.00 -0.04 -1.26 -2.95 135.00 136.77 1tvi n PRO 78 Ca -0.05 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.29 1tvi n PRO 78 Cb 0.44 -1.43 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.07 -0.18 1.53 7.12 -1.92 -0.93 115.31 120.86 1tvi h LEU 79 Ca 0.00 -0.55 -0.23 0.00 0.13 0.00 0.00 57.88 57.23 1tvi h LEU 79 Cb 0.00 0.02 0.01 0.00 -0.53 0.00 0.00 40.66 40.15 1tvi h LEU 79 CO 0.00 0.57 -0.90 0.40 -0.13 0.00 0.00 178.44 178.37 1tvi h ILE 80 N -0.76 1.36 0.09 4.05 5.03 -1.84 -2.35 117.51 123.09 1tvi h ILE 80 Ca -0.01 -2.31 -0.00 0.00 -0.12 0.00 0.00 64.86 62.42 1tvi h ILE 80 Cb 0.62 2.31 -0.00 0.00 -3.03 0.00 0.00 36.82 36.71 1tvi h ILE 80 CO 0.01 0.70 -0.07 0.58 -0.68 0.00 0.00 178.15 178.70 1tvi h VAL 81 N 0.30 0.85 -0.90 1.67 2.07 -1.62 -2.08 116.25 116.54 1tvi h VAL 81 Ca -0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1tvi h VAL 81 Cb 1.53 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 1tvi h VAL 81 CO 0.16 0.00 0.59 -0.33 0.02 0.00 0.00 177.57 178.02 1tvi h GLU 82 N -0.16 1.17 -0.88 1.57 4.39 -1.20 -0.17 114.58 119.30 1tvi h GLU 82 Ca -0.00 -0.07 0.16 0.00 0.34 0.00 0.00 59.36 59.79 1tvi h GLU 82 Cb 0.14 -0.26 -0.07 0.00 -0.10 0.00 0.00 28.75 28.46 1tvi h GLU 82 CO -0.00 0.77 0.57 1.49 -1.16 0.00 0.00 179.01 180.68 1tvi h GLU 83 N 1.20 0.56 0.15 2.33 4.57 -0.90 1.00 114.58 123.49 1tvi h GLU 83 Ca 0.33 -0.03 -0.30 0.00 -1.18 0.00 0.00 59.36 58.18 1tvi h GLU 83 Cb -0.12 -0.13 0.03 0.00 -0.16 0.00 0.00 28.75 28.37 1tvi h GLU 83 CO -0.08 0.37 -1.29 -0.91 -1.18 0.00 0.00 179.01 175.92 1tvi h ASN 84 N 0.57 0.76 0.47 1.04 2.35 -0.58 -3.16 115.58 117.03 1tvi h ASN 84 Ca 0.45 -0.75 -0.05 0.00 -0.55 0.00 0.00 56.30 55.40 1tvi h ASN 84 Cb 0.87 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1tvi h ASN 84 CO -0.19 1.56 -0.23 0.00 -1.65 0.00 0.00 177.43 176.93 1tvi h ALA 85 N 0.34 1.28 0.37 -0.83 0.00 0.84 0.33 119.26 121.60 1tvi h ALA 85 Ca -0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1tvi h ALA 85 Cb 1.97 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 1tvi h ALA 85 CO 0.24 0.28 -0.20 0.00 0.00 0.00 0.00 179.25 179.57 1tvi h ARG 86 N 0.00 -0.52 0.10 0.00 3.08 0.95 1.74 114.38 119.74 1tvi h ARG 86 Ca -0.00 0.04 -0.27 0.00 0.07 0.00 0.00 59.98 59.81 1tvi h ARG 86 Cb 0.52 0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.70 1tvi h ARG 86 CO 0.03 -0.35 -1.19 1.05 -1.07 0.00 0.00 179.97 178.45 1tvi h GLU 87 N -0.54 0.44 -0.11 0.04 4.11 -1.57 -3.12 114.58 113.84 1tvi h GLU 87 Ca -0.05 -0.61 0.00 0.00 0.07 0.00 0.00 59.36 58.77 1tvi h GLU 87 Cb 0.43 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1tvi h GLU 87 CO 0.06 1.26 0.00 0.34 0.07 0.00 0.00 179.01 180.74 1tvi n PHE 88 N -3.68 0.14 -3.85 2.06 7.35 0.11 -4.87 117.46 114.73 1tvi n PHE 88 Ca -0.10 -0.07 -0.30 0.00 -0.76 0.00 0.00 57.45 56.21 1tvi n PHE 88 Cb 0.97 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.74 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 -0.20 -1.51 -4.91 -2.13 5.15 0.56 -4.86 115.26 107.38 1tvi n ASN 89 Ca 0.10 -0.78 -0.27 0.00 -0.60 0.00 0.00 54.58 53.03 1tvi n ASN 89 Cb 0.15 -1.34 -0.00 0.00 -0.53 0.00 0.00 39.78 38.06 1tvi n ASN 89 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1tvi s ASN 90 N -2.78 6.26 -0.71 1.20 2.47 0.60 -4.99 114.94 116.99 1tvi s ASN 90 Ca 0.59 0.94 -0.23 0.00 0.42 0.00 0.00 52.86 54.59 1tvi s ASN 90 Cb -0.35 -2.25 0.07 0.00 -1.45 0.00 0.00 41.25 37.28 1tvi s ASN 90 CO 0.73 -0.59 1.03 0.42 -3.72 0.00 0.00 177.10 174.97 1tvi s THR 91 N -2.75 4.30 0.59 -5.21 -4.23 -1.26 -4.69 115.64 102.39 1tvi s THR 91 Ca 0.48 -0.44 0.33 0.00 -1.18 0.00 0.00 61.69 60.87 1tvi s THR 91 Cb -0.10 -4.73 0.48 0.00 1.34 0.00 0.00 72.50 69.48 1tvi s THR 91 CO 0.45 -1.51 1.47 0.15 -0.54 0.00 0.00 174.62 174.64 1tvi h PHE 92 N 9.53 0.00 -0.32 3.99 3.57 -1.93 1.26 116.94 133.04 1tvi h PHE 92 Ca -0.22 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.25 1tvi h PHE 92 Cb 1.06 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1tvi h PHE 92 CO 1.01 0.00 0.11 1.05 -2.23 0.00 0.00 178.31 178.26 1tvi h GLU 93 N 0.00 0.49 0.09 1.11 4.11 -1.96 0.17 114.58 118.58 1tvi h GLU 93 Ca 0.56 -0.10 -0.00 0.00 0.07 0.00 0.00 59.36 59.88 1tvi h GLU 93 Cb 2.84 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 32.02 1tvi h GLU 93 CO -0.01 0.52 -0.04 -0.22 0.07 0.00 0.00 179.01 179.33 1tvi h LYS 94 N 0.37 -0.11 -0.86 1.06 1.63 0.12 0.64 116.57 119.41 1tvi h LYS 94 Ca 0.11 0.01 0.17 0.00 -0.85 0.00 0.00 60.65 60.09 1tvi h LYS 94 Cb 0.22 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.82 1tvi h LYS 94 CO -0.01 0.33 0.57 1.49 -3.45 0.00 0.00 179.45 178.38 1tvi h GLU 95 N -0.59 0.48 0.20 1.90 4.57 -1.34 0.19 114.58 119.99 1tvi h GLU 95 Ca -0.01 -0.03 -0.32 0.00 -1.18 0.00 0.00 59.36 57.82 1tvi h GLU 95 Cb 0.49 -0.11 0.02 0.00 -0.16 0.00 0.00 28.75 28.99 1tvi h GLU 95 CO 0.02 0.32 -1.46 1.25 -1.18 0.00 0.00 179.01 177.95 1tvi h LEU 96 N 0.49 0.67 -1.66 1.64 7.12 -0.54 -3.24 115.31 119.79 1tvi h LEU 96 Ca 0.44 -0.76 0.07 0.00 0.13 0.00 0.00 57.88 57.76 1tvi h LEU 96 Cb 0.96 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 40.84 1tvi h LEU 96 CO -0.17 1.61 0.35 -0.07 -0.13 0.00 0.00 178.44 180.02 1tvi h LEU 97 N 0.12 0.36 0.44 2.25 4.07 0.26 -0.90 115.31 121.92 1tvi h LEU 97 Ca -0.24 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.71 1tvi h LEU 97 Cb 2.10 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 43.76 1tvi h LEU 97 CO 0.24 0.23 -0.30 -0.33 -1.08 0.00 0.00 178.44 177.20 1tvi h GLU 98 N 0.41 -0.69 0.00 1.13 5.08 -0.77 0.34 114.58 120.08 1tvi h GLU 98 Ca 0.23 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1tvi h GLU 98 Cb 0.37 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1tvi h GLU 98 CO -0.06 -0.46 -0.05 -0.39 -1.00 0.00 0.00 179.01 177.05 1tvi h VAL 99 N -0.72 0.74 0.41 3.13 -1.51 -1.47 1.65 116.25 118.49 1tvi h VAL 99 Ca -0.05 -0.20 -0.02 0.00 -1.23 0.00 0.00 66.70 65.20 1tvi h VAL 99 Cb 0.60 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1tvi h VAL 99 CO 0.03 0.05 -0.20 0.58 -1.23 0.00 0.00 177.57 176.80 1tvi h VAL 100 N 0.00 0.38 0.00 7.19 2.07 -0.07 -3.08 116.25 122.74 1tvi h VAL 100 Ca -0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1tvi h VAL 100 Cb 0.11 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1tvi h VAL 100 CO 0.01 0.07 0.00 0.16 0.02 0.00 0.00 177.57 177.83 1tvi h ILE 101 N -0.99 0.00 -0.68 4.57 3.07 0.06 -3.00 117.51 120.54 1tvi h ILE 101 Ca -0.06 -0.49 0.20 0.00 1.55 0.00 0.00 64.86 66.06 1tvi h ILE 101 Cb 0.55 1.40 -0.03 0.00 -0.27 0.00 0.00 36.82 38.47 1tvi h ILE 101 CO 0.09 0.00 0.54 -0.74 -1.05 0.00 0.00 178.15 177.00 1tvi h HIS 102 N 0.00 0.00 0.07 0.16 2.76 0.25 2.97 115.15 121.36 1tvi h HIS 102 Ca 0.00 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 1tvi h HIS 102 Cb 0.60 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.57 1tvi h HIS 102 CO 0.00 0.00 -0.50 0.78 -1.30 0.00 0.00 177.93 176.91 1tvi h GLY 103 N 0.00 0.17 0.31 5.26 0.00 -1.61 -3.08 103.07 104.12 1tvi h GLY 103 Ca 0.32 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1tvi h GLY 103 CO -0.00 0.38 -0.06 -2.22 0.00 0.00 0.00 176.54 174.64 1tvi h ILE 104 N -0.68 0.94 -0.88 2.60 2.04 -1.15 -3.07 117.51 117.32 1tvi h ILE 104 Ca -0.10 -1.26 0.25 0.00 1.00 0.00 0.00 64.86 64.76 1tvi h ILE 104 Cb 1.35 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 39.01 1tvi h ILE 104 CO 0.06 0.26 0.78 0.17 0.00 0.00 0.00 178.15 179.42 1tvi h LEU 105 N -0.86 0.00 0.38 1.44 8.10 0.51 1.60 115.31 126.48 1tvi h LEU 105 Ca -0.02 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.95 1tvi h LEU 105 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.77 1tvi h LEU 105 CO 0.03 0.00 -0.18 0.45 -4.11 0.00 0.00 178.44 174.62 1tvi h HIS 106 N 0.00 -0.47 0.00 0.17 3.86 -1.44 -2.91 115.15 114.35 1tvi h HIS 106 Ca 0.42 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 1tvi h HIS 106 Cb 1.98 0.16 0.00 0.00 1.06 0.00 0.00 27.41 30.61 1tvi h HIS 106 CO 0.00 -0.29 0.00 1.47 0.86 0.00 0.00 177.93 179.97 1tvi n LEU 107 N -3.66 0.00 0.18 2.43 -0.00 -0.18 -2.87 117.00 112.90 1tvi n LEU 107 Ca -0.06 0.06 0.03 0.00 -0.00 0.00 0.00 56.01 56.04 1tvi n LEU 107 Cb 0.20 -0.06 0.37 0.00 -0.00 0.00 0.00 43.42 43.93 1tvi n LEU 107 CO 0.15 -0.01 0.76 0.00 -0.00 0.00 0.00 177.39 178.29 1tvi h ALA 108 N 3.55 1.42 -3.00 1.47 0.00 0.24 -3.45 119.26 119.49 1tvi h ALA 108 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1tvi h ALA 108 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1tvi h ALA 108 CO 0.00 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1tvi n GLY 109 N -0.55 2.17 2.61 0.00 0.00 -1.14 -5.02 105.19 103.26 1tvi n GLY 109 Ca -0.02 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 -2.65 -3.47 1.61 0.18 -1.25 -4.96 117.16 106.62 1tvi n TYR 110 Ca 0.00 0.31 -0.25 0.00 1.88 0.00 0.00 57.90 59.84 1tvi n TYR 110 Cb 0.00 -1.34 -0.12 0.00 -0.38 0.00 0.00 39.34 37.50 1tvi n TYR 110 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1tvi s ASP 111 N -0.81 2.72 -0.84 9.48 1.11 -1.26 -4.37 116.67 122.70 1tvi s ASP 111 Ca 0.44 -1.48 -0.01 0.00 0.18 0.00 0.00 52.55 51.68 1tvi s ASP 111 Cb -0.37 -0.08 -0.01 0.00 1.07 0.00 0.00 42.92 43.53 1tvi s ASP 111 CO 0.56 -0.37 0.71 1.57 1.18 0.00 0.00 175.17 178.82 1tvi n HIS 112 N 4.80 -1.64 0.00 4.23 -0.00 -1.26 -4.93 115.22 116.41 1tvi n HIS 112 Ca 0.02 0.66 0.00 0.00 -0.00 0.00 0.00 57.72 58.40 1tvi n HIS 112 Cb 0.42 -4.08 0.00 0.00 -0.00 0.00 0.00 29.99 26.33 1tvi n HIS 112 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1tvi n GLU 113 N -3.12 0.00 -4.42 1.57 2.13 -1.26 -5.01 120.64 110.52 1tvi n GLU 113 Ca -0.16 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.25 1tvi n GLU 113 Cb 0.61 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.24 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 -1.83 -1.13 -1.40 4.31 7.35 -1.26 -4.77 117.46 118.73 1tvi n PHE 114 Ca 0.00 0.66 -0.40 0.00 -0.76 0.00 0.00 57.45 56.95 1tvi n PHE 114 Cb 0.00 -1.89 0.02 0.00 0.35 0.00 0.00 39.48 37.96 1tvi n PHE 114 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1tvi n GLU 115 N -3.99 0.39 -4.18 -4.13 2.13 -1.26 -1.49 120.64 108.11 1tvi n GLU 115 Ca 0.07 0.15 -0.32 0.00 0.66 0.00 0.00 57.16 57.71 1tvi n GLU 115 Cb 0.46 -1.42 -0.06 0.00 0.27 0.00 0.00 31.44 30.69 1tvi n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1tvi n ASP 116 N 1.37 -0.38 0.00 4.31 9.92 -1.26 -2.87 116.55 127.63 1tvi n ASP 116 Ca 0.11 -1.21 0.00 0.00 -0.53 0.00 0.00 54.79 53.15 1tvi n ASP 116 Cb 0.44 -1.99 0.00 0.00 -0.64 0.00 0.00 41.12 38.92 1tvi n ASP 116 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1tvi n LYS 117 N -4.61 0.00 -4.03 -1.24 4.81 -0.55 -4.55 118.16 107.98 1tvi n LYS 117 Ca -0.28 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.08 1tvi n LYS 117 Cb 0.67 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.63 1tvi n LYS 117 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1tvi s ASN 118 N -2.66 0.33 0.47 3.14 4.22 -1.14 -4.64 114.94 114.66 1tvi s ASN 118 Ca 0.00 -0.94 0.03 0.00 -2.14 0.00 0.00 52.86 49.80 1tvi s ASN 118 Cb 0.00 0.27 -0.03 0.00 1.28 0.00 0.00 41.25 42.78 1tvi s ASN 118 CO 0.00 -0.68 0.03 -0.55 -2.04 0.00 0.00 177.10 173.86 1tvi s SER 119 N -2.93 3.74 0.57 3.54 0.15 -1.26 -4.94 113.70 112.56 1tvi s SER 119 Ca 0.10 -1.61 0.26 0.00 0.70 0.00 0.00 55.95 55.41 1tvi s SER 119 Cb 0.07 0.36 1.66 0.00 -1.71 0.00 0.00 66.02 66.40 1tvi s SER 119 CO -0.07 -0.80 2.21 0.11 1.20 0.00 0.00 173.24 175.88 1tvi h LYS 120 N 1.54 0.00 -0.04 5.44 1.79 -1.99 -0.73 116.57 122.57 1tvi h LYS 120 Ca -0.42 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.03 1tvi h LYS 120 Cb 1.29 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1tvi h LYS 120 CO 0.71 0.00 -0.05 1.49 -1.08 0.00 0.00 179.45 180.52 1tvi h GLU 121 N 0.00 0.11 0.00 3.15 4.81 -1.99 -2.13 114.58 118.53 1tvi h GLU 121 Ca 0.02 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1tvi h GLU 121 Cb 0.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1tvi h GLU 121 CO -0.00 0.60 -0.19 1.98 -0.73 0.00 0.00 179.01 180.67 1tvi h MET 122 N -0.37 0.00 0.42 1.92 4.05 -1.69 0.52 114.93 119.77 1tvi h MET 122 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1tvi h MET 122 Cb 0.58 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1tvi h MET 122 CO 0.01 0.19 -0.20 0.35 0.23 0.00 0.00 176.91 177.49 1tvi h PHE 123 N 0.00 -0.52 -0.50 1.39 3.57 -1.09 0.88 116.94 120.68 1tvi h PHE 123 Ca -0.00 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 1tvi h PHE 123 Cb 0.35 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1tvi h PHE 123 CO 0.00 -0.20 -0.20 1.05 -2.23 0.00 0.00 178.31 176.73 1tvi h GLU 124 N -0.99 1.01 0.00 1.11 -0.00 -1.28 -0.09 114.58 114.34 1tvi h GLU 124 Ca -0.06 -0.42 -0.04 0.00 -0.00 0.00 0.00 59.36 58.84 1tvi h GLU 124 Cb 0.55 -0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 29.26 1tvi h GLU 124 CO 0.09 1.10 -0.18 0.87 -0.00 0.00 0.00 179.01 180.90 1tvi h LYS 125 N 0.88 0.00 0.10 1.06 1.79 -0.03 0.15 116.57 120.53 1tvi h LYS 125 Ca 0.12 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.31 1tvi h LYS 125 Cb 0.78 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1tvi h LYS 125 CO 0.06 0.18 -1.31 0.37 -1.08 0.00 0.00 179.45 177.67 1tvi h GLN 126 N 0.00 0.22 0.00 3.15 4.15 -0.29 -3.21 115.11 119.13 1tvi h GLN 126 Ca -0.00 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.05 1tvi h GLN 126 Cb 0.42 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1tvi h GLN 126 CO 0.02 1.13 0.00 -0.22 -1.93 0.00 0.00 178.83 177.83 1tvi h LYS 127 N 0.06 0.00 0.62 1.69 3.64 -0.33 -2.41 116.57 119.83 1tvi h LYS 127 Ca -0.16 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 1tvi h LYS 127 Cb 1.96 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.79 1tvi h LYS 127 CO 0.18 0.00 -0.30 -0.22 -2.27 0.00 0.00 179.45 176.84 1tvi h LYS 128 N 0.00 -0.80 -0.12 1.90 1.63 -0.72 -1.27 116.57 117.19 1tvi h LYS 128 Ca 0.00 0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 1tvi h LYS 128 Cb 0.80 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.60 1tvi h LYS 128 CO 0.00 -0.54 -0.25 1.88 -3.45 0.00 0.00 179.45 177.10 1tvi h TYR 129 N -1.15 0.23 0.43 1.91 0.05 -1.63 0.42 116.97 117.22 1tvi h TYR 129 Ca -0.09 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.64 1tvi h TYR 129 Cb 0.64 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 38.32 1tvi h TYR 129 CO 0.01 0.45 -0.24 0.28 -1.05 0.00 0.00 178.16 177.62 1tvi h VAL 130 N 0.19 0.51 -0.22 -2.88 2.07 -1.43 1.56 116.25 116.06 1tvi h VAL 130 Ca 0.03 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.45 1tvi h VAL 130 Cb 0.55 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1tvi h VAL 130 CO 0.04 0.00 -0.29 1.05 0.02 0.00 0.00 177.57 178.39 1tvi h GLU 131 N -0.62 0.43 -0.06 1.57 4.11 -1.08 0.86 114.58 119.78 1tvi h GLU 131 Ca -0.05 -0.17 -0.02 0.00 0.07 0.00 0.00 59.36 59.19 1tvi h GLU 131 Cb 0.49 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1tvi h GLU 131 CO 0.07 0.68 -0.03 0.93 0.07 0.00 0.00 179.01 180.73 1tvi h GLU 132 N 0.37 0.14 -0.19 1.06 4.39 -0.52 0.57 114.58 120.40 1tvi h GLU 132 Ca 0.05 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.51 1tvi h GLU 132 Cb 0.70 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1tvi h GLU 132 CO 0.05 0.51 -0.60 0.28 -1.16 0.00 0.00 179.01 178.09 1tvi h VAL 133 N -0.25 1.31 0.00 3.13 2.07 0.24 -2.34 116.25 120.41 1tvi h VAL 133 Ca 0.01 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.68 1tvi h VAL 133 Cb 0.47 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1tvi h VAL 133 CO 0.01 0.58 0.00 1.87 0.02 0.00 0.00 177.57 180.05 1tvi n TRP 134 N -3.95 0.88 0.15 1.57 -0.00 0.30 -2.95 117.44 113.44 1tvi n TRP 134 Ca -0.04 0.30 0.19 0.00 -0.00 0.00 0.00 57.50 57.95 1tvi n TRP 134 Cb 0.64 -0.99 0.73 0.00 -0.00 0.00 0.00 31.31 31.69 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 3.27 0.00 0.00 5.87 0.00 0.75 1.01 103.07 113.96 1tvi h GLY 135 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1tvi h GLY 135 CO 0.00 0.00 -0.48 -2.09 0.00 0.00 0.00 176.54 173.97 1tvi h GLU 136 N 0.00 0.00 -0.03 4.80 4.81 -1.70 -3.34 114.58 119.12 1tvi h GLU 136 Ca 0.15 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1tvi h GLU 136 Cb 1.09 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1tvi h GLU 136 CO -0.00 0.20 0.14 -1.49 -0.73 0.00 0.00 179.01 177.12 1tvi h TRP 137 N -1.00 0.00 -0.97 0.92 4.06 -1.52 -0.06 115.95 117.37 1tvi h TRP 137 Ca -0.05 0.00 0.25 0.00 2.06 0.00 0.00 58.89 61.15 1tvi h TRP 137 Cb 0.53 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.63 1tvi h TRP 137 CO -0.10 0.00 0.66 -0.09 -3.56 0.00 0.00 178.44 175.35 1tvi h ARG 138 N 0.00 0.24 0.00 0.49 9.65 0.91 1.65 114.38 127.33 1tvi h ARG 138 Ca 0.02 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1tvi h ARG 138 Cb 0.29 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 1tvi h ARG 138 CO -0.00 0.16 0.00 0.43 2.80 0.00 0.00 179.97 183.36 1tvi n SER 139 N -4.44 0.28 -3.30 -3.80 7.64 -0.04 -3.09 113.62 106.87 1tvi n SER 139 Ca 0.21 0.59 -0.25 0.00 1.01 0.00 0.00 58.87 60.43 1tvi n SER 139 Cb 0.88 -0.64 -0.08 0.00 -1.01 0.00 0.00 64.21 63.36 1tvi n SER 139 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1tvi n ASN 140 N -1.83 1.62 -3.66 6.43 3.02 0.56 -5.11 115.26 116.29 1tvi n ASN 140 Ca 0.01 -2.99 -0.28 0.00 -0.03 0.00 0.00 54.58 51.29 1tvi n ASN 140 Cb 0.11 -0.65 0.22 0.00 -0.61 0.00 0.00 39.78 38.85 1tvi n ASN 140 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1tvi n PRO 141 N 1.23 -2.12 0.00 3.52 -0.04 -1.18 -4.21 135.00 132.20 1tvi n PRO 141 Ca 0.25 -1.82 0.00 0.00 -0.04 0.00 0.00 63.50 61.89 1tvi n PRO 141 Cb 0.48 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -4.29 0.00 -0.39 3.54 7.64 -1.26 -4.52 113.62 114.35 1tvi n SER 142 Ca 0.15 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.98 1tvi n SER 142 Cb 0.56 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.00 -1.19 -4.19 1.43 -0.58 -1.26 -4.92 120.64 109.93 1tvi n GLU 143 Ca 0.00 0.57 -0.12 0.00 -0.42 0.00 0.00 57.16 57.19 1tvi n GLU 143 Cb 0.00 -4.60 -0.10 0.00 -0.57 0.00 0.00 31.44 26.18 1tvi n GLU 143 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1tvi s ASP 144 N -2.31 0.16 -0.01 1.62 3.84 -1.26 -5.10 116.67 113.61 1tvi s ASP 144 Ca 0.00 -1.37 -0.05 0.00 -0.00 0.00 0.00 52.55 51.13 1tvi s ASP 144 Cb 0.00 0.39 -0.03 0.00 -1.38 0.00 0.00 42.92 41.90 1tvi s ASP 144 CO 0.00 -0.86 0.49 0.77 -0.00 0.00 0.00 175.17 175.57 1tvi h SER 145 N 2.60 -0.15 -6.10 2.11 4.64 -1.99 -3.49 113.55 111.16 1tvi h SER 145 Ca -0.35 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 1tvi h SER 145 Cb 1.25 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1tvi h SER 145 CO 0.52 -0.02 -1.00 -0.67 -0.87 0.00 0.00 176.83 174.79 1tvi n ASP 146 N -3.01 -6.87 -3.29 4.97 2.03 -1.26 -4.66 116.55 104.47 1tvi n ASP 146 Ca -0.02 0.61 -0.31 0.00 0.52 0.00 0.00 54.79 55.59 1tvi n ASP 146 Cb 0.07 -2.43 -0.02 0.00 -0.72 0.00 0.00 41.12 38.02 1tvi n ASP 146 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1tvi n PRO 147 N 1.11 2.69 0.00 -0.67 -0.04 -1.26 -4.06 135.00 132.77 1tvi n PRO 147 Ca -0.00 -1.83 0.00 0.00 -0.04 0.00 0.00 63.50 61.63 1tvi n PRO 147 Cb 0.40 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 1tvi n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tvi n GLY 148 N 3.77 -0.34 3.56 0.55 0.00 -1.26 -5.10 105.19 106.37 1tvi n GLY 148 Ca 0.58 0.15 -0.49 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.60 1.05 0.00 1.61 4.76 -1.26 -5.28 118.16 118.43 1tvi n LYS 149 Ca 0.00 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 1tvi n LYS 149 Cb 0.00 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 1tvi n LYS 149 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90