#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 5.35 -0.19 1.12 1.09 -1.26 -4.88 121.20 122.43 1tvi s ILE 2 Ca 0.00 -0.31 -0.26 0.00 -1.10 0.00 0.00 60.65 58.99 1tvi s ILE 2 Cb 0.00 -3.55 -0.01 0.00 -1.06 0.00 0.00 42.46 37.84 1tvi s ILE 2 CO 0.00 0.23 0.86 -0.13 -0.10 0.00 0.00 174.94 175.80 1tvi s ARG 3 N -2.22 4.28 -0.20 2.79 3.00 -1.05 -5.03 118.95 120.52 1tvi s ARG 3 Ca 0.31 1.06 -0.04 0.00 0.00 0.00 0.00 55.73 57.06 1tvi s ARG 3 Cb -0.13 -3.59 -0.02 0.00 0.00 0.00 0.00 34.95 31.21 1tvi s ARG 3 CO 0.23 -0.39 -0.02 0.42 0.00 0.00 0.00 175.30 175.53 1tvi s ILE 4 N 2.38 3.74 0.17 1.52 1.01 -1.26 -1.45 121.20 127.31 1tvi s ILE 4 Ca 0.39 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 1tvi s ILE 4 Cb -0.16 -2.68 -0.00 0.00 0.01 0.00 0.00 42.46 39.62 1tvi s ILE 4 CO 0.11 0.44 0.33 -1.48 0.00 0.00 0.00 174.94 174.34 1tvi s LEU 5 N 1.00 0.79 0.00 2.97 2.34 -0.38 -4.90 118.68 120.50 1tvi s LEU 5 Ca 0.01 -0.82 0.00 0.00 0.06 0.00 0.00 54.13 53.38 1tvi s LEU 5 Cb -0.14 1.36 0.00 0.00 -0.56 0.00 0.00 46.19 46.85 1tvi s LEU 5 CO 0.01 -0.93 0.00 0.61 -1.06 0.00 0.00 176.35 174.98 1tvi n GLY 6 N -0.25 2.14 1.63 -3.48 0.00 -1.26 -1.38 105.19 102.60 1tvi n GLY 6 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1tvi n GLY 6 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tvi n GLU 7 N 0.00 -4.33 0.00 1.61 1.02 -1.21 -4.65 120.64 113.08 1tvi n GLU 7 Ca 0.00 3.34 0.00 0.00 -0.02 0.00 0.00 57.16 60.48 1tvi n GLU 7 Cb 0.00 -4.13 0.00 0.00 -0.02 0.00 0.00 31.44 27.29 1tvi n GLU 7 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tvi n GLY 8 N -2.46 4.38 3.13 0.62 0.00 -1.26 -4.18 105.19 105.42 1tvi n GLY 8 Ca 0.00 -1.46 -0.46 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.89 0.00 0.00 1.61 4.81 -1.26 -1.72 118.16 119.71 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 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.66 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 6.41 0.92 0.25 3.14 0.00 -1.26 -4.68 105.19 109.98 1tvi n GLY 10 Ca 0.56 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.44 1tvi n GLY 10 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tvi h SER 11 N 0.82 -0.55 -0.22 1.61 4.64 -1.73 0.14 113.55 118.26 1tvi h SER 11 Ca 0.00 0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 1tvi h SER 11 Cb 0.00 0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1tvi h SER 11 CO 0.00 -0.34 -0.10 0.11 -0.87 0.00 0.00 176.83 175.64 1tvi h LYS 12 N -0.52 0.59 -0.34 4.77 6.56 -1.95 -0.65 116.57 125.04 1tvi h LYS 12 Ca -0.03 -0.17 -0.00 0.00 -1.06 0.00 0.00 60.65 59.39 1tvi h LYS 12 Cb 0.44 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.02 1tvi h LYS 12 CO 0.01 0.68 0.20 1.25 -2.06 0.00 0.00 179.45 179.54 1tvi h LEU 13 N 0.55 0.40 0.03 2.94 5.85 -1.80 -1.17 115.31 122.11 1tvi h LEU 13 Ca 0.10 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1tvi h LEU 13 Cb 0.49 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1tvi h LEU 13 CO 0.03 0.31 -0.02 0.25 -0.34 0.00 0.00 178.44 178.67 1tvi h LEU 14 N 0.46 -0.04 -1.82 2.25 7.12 0.12 -3.13 115.31 120.28 1tvi h LEU 14 Ca 0.12 -0.67 0.02 0.00 0.13 0.00 0.00 57.88 57.47 1tvi h LEU 14 Cb -0.02 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.12 1tvi h LEU 14 CO -0.02 0.72 0.41 -0.33 -0.13 0.00 0.00 178.44 179.09 1tvi h GLU 15 N -0.86 0.00 -0.00 1.25 5.08 -0.77 0.93 114.58 120.21 1tvi h GLU 15 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1tvi h GLU 15 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1tvi h GLU 15 CO 0.01 0.00 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.10 1tvi h ASN 16 N 0.00 0.01 -0.98 1.42 2.35 -1.17 -3.31 115.58 113.89 1tvi h ASN 16 Ca 0.03 -0.69 -0.61 0.00 -0.55 0.00 0.00 56.30 54.48 1tvi h ASN 16 Cb 0.85 -0.00 -0.38 0.00 0.05 0.00 0.00 38.32 38.84 1tvi h ASN 16 CO -0.00 0.70 -0.19 0.00 -1.65 0.00 0.00 177.43 176.28 1tvi n LEU 17 N -4.75 5.89 0.03 1.61 -0.00 0.79 -4.71 117.00 115.86 1tvi n LEU 17 Ca -0.09 -4.67 -0.04 0.00 -0.00 0.00 0.00 56.01 51.21 1tvi n LEU 17 Cb 0.34 -0.59 -0.02 0.00 -0.00 0.00 0.00 43.42 43.16 1tvi n LEU 17 CO 0.34 1.91 0.11 0.50 -0.00 0.00 0.00 177.39 180.25 1tvi h LYS 18 N 2.22 -0.19 -0.91 1.47 3.64 0.60 -3.15 116.57 120.25 1tvi h LYS 18 Ca 0.45 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 60.00 1tvi h LYS 18 Cb 1.16 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.93 1tvi h LYS 18 CO 1.06 -0.06 0.50 0.93 -2.27 0.00 0.00 179.45 179.61 1tvi h GLU 19 N -1.04 0.66 -0.70 1.90 5.08 -1.84 0.59 114.58 119.23 1tvi h GLU 19 Ca -0.02 -0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.44 1tvi h GLU 19 Cb 0.21 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1tvi h GLU 19 CO 0.03 0.43 0.47 -0.22 -1.00 0.00 0.00 179.01 178.73 1tvi h LYS 20 N 0.68 0.35 0.12 2.33 1.63 -1.89 0.21 116.57 120.00 1tvi h LYS 20 Ca 0.51 -0.02 -0.27 0.00 -0.85 0.00 0.00 60.65 60.01 1tvi h LYS 20 Cb 0.74 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1tvi h LYS 20 CO -0.37 0.23 -1.25 -0.07 -3.45 0.00 0.00 179.45 174.54 1tvi h LEU 21 N 0.36 0.40 -2.94 5.20 3.38 0.11 -3.15 115.31 118.66 1tvi h LEU 21 Ca 0.34 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1tvi h LEU 21 Cb 0.82 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1tvi h LEU 21 CO -0.10 1.34 -0.00 -0.33 0.09 0.00 0.00 178.44 179.44 1tvi h GLU 22 N 0.07 0.00 0.06 1.13 5.08 0.17 -0.83 114.58 120.25 1tvi h GLU 22 Ca -0.13 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1tvi h GLU 22 Cb 1.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.21 1tvi h GLU 22 CO 0.20 0.00 -0.03 0.93 -1.00 0.00 0.00 179.01 179.11 1tvi h GLU 23 N 0.00 -0.08 -0.69 2.33 5.08 -1.26 -0.58 114.58 119.39 1tvi h GLU 23 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1tvi h GLU 23 Cb 0.01 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1tvi h GLU 23 CO 0.00 0.52 0.44 -0.84 -1.00 0.00 0.00 179.01 178.13 1tvi h ILE 24 N -0.83 1.19 -0.06 3.13 3.07 -1.47 0.15 117.51 122.69 1tvi h ILE 24 Ca -0.01 -0.38 -0.07 0.00 1.55 0.00 0.00 64.86 65.95 1tvi h ILE 24 Cb 0.64 0.21 -0.01 0.00 -0.27 0.00 0.00 36.82 37.38 1tvi h ILE 24 CO 0.01 0.19 -0.29 1.62 -1.05 0.00 0.00 178.15 178.64 1tvi h VAL 25 N 0.94 1.23 0.24 0.16 3.04 -1.26 0.33 116.25 120.92 1tvi h VAL 25 Ca 0.25 -1.09 -0.01 0.00 -1.01 0.00 0.00 66.70 64.84 1tvi h VAL 25 Cb -0.07 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 1tvi h VAL 25 CO -0.05 0.32 -0.11 0.50 -1.01 0.00 0.00 177.57 177.22 1tvi h LYS 26 N 0.10 -0.30 -0.09 4.17 3.64 0.33 -2.10 116.57 122.32 1tvi h LYS 26 Ca 0.01 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1tvi h LYS 26 Cb 0.56 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1tvi h LYS 26 CO 0.04 0.05 0.05 -0.22 -2.27 0.00 0.00 179.45 177.10 1tvi h LYS 27 N -0.73 0.12 -0.92 1.90 3.64 -0.60 0.44 116.57 120.42 1tvi h LYS 27 Ca -0.03 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1tvi h LYS 27 Cb 0.49 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.18 1tvi h LYS 27 CO 0.05 0.14 -0.55 1.49 -2.27 0.00 0.00 179.45 178.31 1tvi h GLU 28 N 0.07 -0.01 0.00 1.90 4.81 -0.38 -3.41 114.58 117.56 1tvi h GLU 28 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1tvi h GLU 28 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1tvi h GLU 28 CO -0.01 -0.01 -0.07 1.51 -0.73 0.00 0.00 179.01 179.71 1tvi n ILE 29 N -5.10 0.05 0.00 2.32 3.06 -1.05 -5.07 119.36 113.58 1tvi n ILE 29 Ca 0.02 0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 1tvi n ILE 29 Cb 0.24 -0.61 0.00 0.00 0.54 0.00 0.00 39.64 39.82 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 1.68 0.97 3.54 4.50 0.00 0.13 -4.96 105.19 111.05 1tvi n GLY 30 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.61 0.43 1.61 3.68 -1.24 -4.48 116.67 116.06 1tvi s ASP 31 Ca 0.00 0.90 0.04 0.00 2.13 0.00 0.00 52.55 55.61 1tvi s ASP 31 Cb 0.00 1.49 -0.02 0.00 -1.45 0.00 0.00 42.92 42.94 1tvi s ASP 31 CO 0.00 -0.13 0.12 0.54 0.13 0.00 0.00 175.17 175.83 1tvi s VAL 32 N 1.95 0.62 -0.27 1.11 0.11 -1.26 -5.07 120.40 117.58 1tvi s VAL 32 Ca -0.06 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 56.98 1tvi s VAL 32 Cb -0.05 -2.29 0.09 0.00 -1.53 0.00 0.00 36.38 32.59 1tvi s VAL 32 CO -0.17 0.00 0.06 -1.00 -3.33 0.00 0.00 175.10 170.67 1tvi s HIS 33 N -3.15 1.67 -0.30 1.54 3.76 -1.26 -4.95 115.29 112.60 1tvi s HIS 33 Ca 0.21 -1.56 0.03 0.00 -0.15 0.00 0.00 55.06 53.59 1tvi s HIS 33 Cb 0.02 -1.56 0.08 0.00 1.11 0.00 0.00 32.58 32.23 1tvi s HIS 33 CO 0.13 -0.80 -0.01 0.08 -0.85 0.00 0.00 174.74 173.29 1tvi s VAL 34 N 1.63 2.00 -0.58 -0.90 1.01 -1.26 -2.63 120.40 119.68 1tvi s VAL 34 Ca 0.05 -1.88 -0.22 0.00 0.00 0.00 0.00 61.98 59.94 1tvi s VAL 34 Cb -0.17 -2.34 0.06 0.00 0.00 0.00 0.00 36.38 33.93 1tvi s VAL 34 CO -0.18 -0.36 0.84 0.20 0.00 0.00 0.00 175.10 175.59 1tvi s ASN 35 N 1.10 6.24 -0.13 3.32 -0.87 -0.58 -2.51 114.94 121.50 1tvi s ASN 35 Ca 0.02 -0.83 -0.23 0.00 -1.57 0.00 0.00 52.86 50.26 1tvi s ASN 35 Cb -0.19 -2.38 -0.03 0.00 -0.02 0.00 0.00 41.25 38.63 1tvi s ASN 35 CO -0.08 -1.20 0.70 -0.69 -2.57 0.00 0.00 177.10 173.26 1tvi s VAL 36 N 3.50 5.01 -0.40 1.60 1.01 -0.53 0.58 120.40 131.17 1tvi s VAL 36 Ca 0.22 1.40 -0.09 0.00 0.00 0.00 0.00 61.98 63.50 1tvi s VAL 36 Cb -0.17 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 32.24 1tvi s VAL 36 CO 0.13 0.17 0.23 -0.63 0.00 0.00 0.00 175.10 175.00 1tvi s ILE 37 N 1.38 4.26 -0.25 2.22 1.09 0.17 -1.25 121.20 128.82 1tvi s ILE 37 Ca 0.35 -1.24 -0.23 0.00 -1.10 0.00 0.00 60.65 58.43 1tvi s ILE 37 Cb -0.17 -3.53 -0.01 0.00 -1.06 0.00 0.00 42.46 37.69 1tvi s ILE 37 CO 0.14 -0.40 0.75 -0.76 -0.10 0.00 0.00 174.94 174.57 1tvi s LEU 38 N 1.45 4.07 -0.09 2.97 1.43 -0.48 -0.32 118.68 127.72 1tvi s LEU 38 Ca 0.02 0.87 -0.07 0.00 -1.03 0.00 0.00 54.13 53.91 1tvi s LEU 38 Cb -0.22 -3.04 0.03 0.00 0.03 0.00 0.00 46.19 42.99 1tvi s LEU 38 CO 0.03 -0.47 0.23 0.68 0.23 0.00 0.00 176.35 177.06 1tvi s VAL 39 N 2.72 -0.01 0.00 -1.59 -7.23 -0.69 -3.34 120.40 110.26 1tvi s VAL 39 Ca 0.31 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 1tvi s VAL 39 Cb -0.15 -0.34 0.00 0.00 0.56 0.00 0.00 36.38 36.45 1tvi s VAL 39 CO 0.08 0.01 0.00 -1.20 -0.31 0.00 0.00 175.10 173.68 1tvi n SER 40 N 3.21 -0.73 0.02 4.85 7.64 -1.26 -3.85 113.62 123.49 1tvi n SER 40 Ca -0.15 -0.18 -0.13 0.00 1.01 0.00 0.00 58.87 59.42 1tvi n SER 40 Cb 0.57 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.68 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 -0.08 -0.43 1.43 4.81 -1.93 -0.65 114.58 117.73 1tvi h GLU 41 Ca 0.00 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 1tvi h GLU 41 Cb 0.00 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1tvi h GLU 41 CO 0.00 0.37 -0.32 -0.44 -0.73 0.00 0.00 179.01 177.89 1tvi h ASP 42 N -0.56 1.02 -0.89 1.04 3.45 -1.98 0.61 116.42 119.11 1tvi h ASP 42 Ca -0.01 -0.44 0.02 0.00 0.43 0.00 0.00 57.03 57.04 1tvi h ASP 42 Cb 0.49 -0.28 -0.05 0.00 -0.56 0.00 0.00 39.33 38.93 1tvi h ASP 42 CO 0.01 1.24 0.59 -0.33 -1.57 0.00 0.00 179.24 179.18 1tvi h GLU 43 N 0.81 1.12 0.08 3.56 4.39 -1.89 -1.89 114.58 120.77 1tvi h GLU 43 Ca 0.08 -0.07 -0.27 0.00 0.34 0.00 0.00 59.36 59.44 1tvi h GLU 43 Cb 0.91 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1tvi h GLU 43 CO 0.08 0.74 -1.33 0.97 -1.16 0.00 0.00 179.01 178.32 1tvi h ILE 44 N 1.15 1.38 -0.65 3.13 2.10 -0.90 -2.34 117.51 121.38 1tvi h ILE 44 Ca 0.34 -3.03 0.14 0.00 1.08 0.00 0.00 64.86 63.40 1tvi h ILE 44 Cb -0.04 2.81 -0.11 0.00 -1.09 0.00 0.00 36.82 38.39 1tvi h ILE 44 CO -0.09 0.85 0.04 0.50 -1.08 0.00 0.00 178.15 178.37 1tvi h LYS 45 N 0.05 0.14 0.08 2.19 3.11 0.10 0.98 116.57 123.23 1tvi h LYS 45 Ca -0.16 -0.01 -0.15 0.00 -2.81 0.00 0.00 60.65 57.53 1tvi h LYS 45 Cb 1.94 -0.03 0.02 0.00 -1.00 0.00 0.00 32.23 33.16 1tvi h LYS 45 CO 0.16 0.10 -0.63 0.93 -2.81 0.00 0.00 179.45 177.19 1tvi h GLU 46 N 0.15 0.29 -1.18 1.90 5.08 -1.49 -3.25 114.58 116.08 1tvi h GLU 46 Ca 0.35 -0.42 0.38 0.00 -1.00 0.00 0.00 59.36 58.67 1tvi h GLU 46 Cb 0.57 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.84 1tvi h GLU 46 CO -0.53 1.15 0.74 1.25 -1.00 0.00 0.00 179.01 180.62 1tvi h LEU 47 N -0.36 0.34 -0.02 1.33 7.12 -0.75 1.62 115.31 124.59 1tvi h LEU 47 Ca -0.10 0.15 -0.00 0.00 0.13 0.00 0.00 57.88 58.05 1tvi h LEU 47 Cb 1.44 0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 41.68 1tvi h LEU 47 CO 0.12 -0.14 0.01 -1.13 -0.13 0.00 0.00 178.44 177.17 1tvi h ASN 48 N 0.19 0.03 0.86 1.25 -0.73 -0.87 -2.55 115.58 113.76 1tvi h ASN 48 Ca 0.76 -0.22 -0.04 0.00 1.87 0.00 0.00 56.30 58.67 1tvi h ASN 48 Cb 2.16 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 40.74 1tvi h ASN 48 CO -0.46 0.25 -0.20 -0.61 -0.37 0.00 0.00 177.43 176.04 1tvi h GLN 49 N -0.19 0.00 0.00 6.67 4.15 0.31 1.52 115.11 127.58 1tvi h GLN 49 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1tvi h GLN 49 Cb 0.23 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 1tvi h GLN 49 CO 0.00 0.20 -0.01 1.96 -1.93 0.00 0.00 178.83 179.05 1tvi h GLN 50 N 0.00 0.00 0.00 1.69 4.20 0.23 -1.08 115.11 120.14 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 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1tvi h GLN 50 CO 0.03 0.01 -0.28 1.19 -0.67 0.00 0.00 178.83 179.10 1tvi n PHE 51 N -3.35 -0.58 0.22 2.96 3.72 -0.95 -4.80 117.46 114.68 1tvi n PHE 51 Ca -0.03 0.10 0.09 0.00 -0.05 0.00 0.00 57.45 57.56 1tvi n PHE 51 Cb 0.09 0.27 0.45 0.00 -0.94 0.00 0.00 39.48 39.35 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 0.20 -3.46 114.38 112.51 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 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1tvi h ARG 52 CO 0.00 0.26 0.00 0.41 0.56 0.00 0.00 179.97 181.20 1tvi n GLY 53 N 0.07 2.70 3.82 0.04 0.00 -0.41 -4.89 105.19 106.52 1tvi n GLY 53 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.13 4.19 -0.60 1.61 1.11 -1.26 -4.69 119.66 119.90 1tvi s GLN 54 Ca 0.00 0.81 -0.09 0.00 0.01 0.00 0.00 55.36 56.09 1tvi s GLN 54 Cb 0.00 -2.80 0.15 0.00 -1.01 0.00 0.00 33.01 29.36 1tvi s GLN 54 CO 0.00 0.35 0.48 -0.51 0.01 0.00 0.00 175.29 175.62 1tvi s ASP 55 N -1.77 5.87 -0.29 5.90 1.11 -1.26 -0.82 116.67 125.41 1tvi s ASP 55 Ca 0.45 -2.33 -0.17 0.00 0.18 0.00 0.00 52.55 50.68 1tvi s ASP 55 Cb -0.15 -2.03 0.17 0.00 1.07 0.00 0.00 42.92 41.98 1tvi s ASP 55 CO 0.20 -0.59 1.13 0.00 1.18 0.00 0.00 175.17 177.08 1tvi s ARG 56 N 0.74 0.24 0.93 8.23 1.04 -1.24 -5.07 118.95 123.81 1tvi s ARG 56 Ca 0.11 0.39 -0.13 0.00 -1.04 0.00 0.00 55.73 55.06 1tvi s ARG 56 Cb -0.21 0.06 0.15 0.00 -2.04 0.00 0.00 34.95 32.91 1tvi s ARG 56 CO -0.03 -0.05 1.14 -1.25 -0.04 0.00 0.00 175.30 175.08 1tvi s PRO 57 N 1.03 1.02 0.29 3.89 0.04 -1.26 -4.70 135.00 135.31 1tvi s PRO 57 Ca -0.06 0.25 -0.14 0.00 0.04 0.00 0.00 61.00 61.09 1tvi s PRO 57 Cb -0.03 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.69 1tvi s PRO 57 CO -0.12 -2.27 0.59 -0.08 0.04 0.00 0.00 177.00 175.15 1tvi s THR 58 N -3.29 0.00 0.03 1.26 -1.32 -1.26 -5.03 115.64 106.03 1tvi s THR 58 Ca 0.64 -1.27 -0.28 0.00 -1.21 0.00 0.00 61.69 59.57 1tvi s THR 58 Cb -0.14 -2.33 -0.17 0.00 -1.51 0.00 0.00 72.50 68.35 1tvi s THR 58 CO 0.53 0.00 1.33 -0.78 -2.21 0.00 0.00 174.62 173.49 1tvi h ASP 59 N 2.13 -0.63 -3.81 8.08 1.82 -1.95 -3.45 116.42 118.61 1tvi h ASP 59 Ca -0.26 -0.05 -0.10 0.00 -0.39 0.00 0.00 57.03 56.24 1tvi h ASP 59 Cb 1.25 0.16 -0.23 0.00 0.68 0.00 0.00 39.33 41.19 1tvi h ASP 59 CO 0.34 -0.31 -0.15 0.54 -1.61 0.00 0.00 179.24 178.05 1tvi s VAL 60 N -5.14 -0.00 -0.20 2.25 0.11 -1.26 -3.75 120.40 112.40 1tvi s VAL 60 Ca -0.15 0.01 -0.14 0.00 -2.93 0.00 0.00 61.98 58.77 1tvi s VAL 60 Cb 0.02 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1tvi s VAL 60 CO 0.53 0.00 0.31 -0.76 -3.33 0.00 0.00 175.10 171.86 1tvi s LEU 61 N 0.42 4.16 0.10 2.54 1.02 0.03 -5.00 118.68 121.95 1tvi s LEU 61 Ca -0.01 0.41 0.04 0.00 0.02 0.00 0.00 54.13 54.58 1tvi s LEU 61 Cb -0.04 -2.38 -0.04 0.00 0.02 0.00 0.00 46.19 43.75 1tvi s LEU 61 CO -0.01 -0.01 0.08 -0.89 0.02 0.00 0.00 176.35 175.54 1tvi s THR 62 N 1.08 4.46 0.06 5.49 2.01 -1.26 -0.54 115.64 126.94 1tvi s THR 62 Ca 0.15 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1tvi s THR 62 Cb -0.14 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1tvi s THR 62 CO 0.06 0.08 0.13 0.12 -0.69 0.00 0.00 174.62 174.31 1tvi s PHE 63 N -1.46 3.33 -0.29 4.92 5.36 -1.26 -4.92 117.98 123.66 1tvi s PHE 63 Ca 0.29 0.17 -0.29 0.00 -0.96 0.00 0.00 56.93 56.14 1tvi s PHE 63 Cb -0.12 -1.69 -0.00 0.00 -0.34 0.00 0.00 43.02 40.87 1tvi s PHE 63 CO 0.22 0.55 1.34 -1.25 -1.46 0.00 0.00 175.22 174.62 1tvi s PRO 64 N -2.30 3.90 0.00 10.12 0.04 -1.26 -4.31 135.00 141.19 1tvi s PRO 64 Ca 0.30 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1tvi s PRO 64 Cb -0.12 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1tvi s PRO 64 CO 0.22 -1.15 0.00 1.47 0.04 0.00 0.00 177.00 177.59 1tvi n LEU 65 N 7.74 0.00 -3.02 -3.56 -0.00 -1.26 -5.01 117.00 111.88 1tvi n LEU 65 Ca 0.15 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.96 1tvi n LEU 65 Cb 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.84 1tvi n LEU 65 CO 0.63 0.00 -0.10 1.15 -0.00 0.00 0.00 177.39 179.08 1tvi n MET 66 N 0.00 -0.87 -0.66 1.47 0.00 -1.26 -4.83 117.12 110.97 1tvi n MET 66 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.76 1tvi n MET 66 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 33.22 31.02 1tvi n MET 66 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1tvi n GLU 67 N -2.28 0.96 -1.45 3.17 1.02 -1.26 -4.82 120.64 115.98 1tvi n GLU 67 Ca 0.03 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.81 1tvi n GLU 67 Cb 0.23 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.61 1tvi n GLU 67 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1tvi n GLU 68 N -0.88 3.68 0.00 3.49 2.13 -1.26 -3.16 120.64 124.64 1tvi n GLU 68 Ca 0.00 -2.38 0.00 0.00 0.66 0.00 0.00 57.16 55.44 1tvi n GLU 68 Cb 0.00 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.07 1tvi n GLU 68 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1tvi n ASP 69 N 2.89 0.00 0.00 4.31 8.00 -1.26 -5.02 116.55 125.46 1tvi n ASP 69 Ca 0.70 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.20 1tvi n ASP 69 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1tvi n ASP 69 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1tvi n VAL 70 N 0.00 0.00 -4.09 2.53 0.31 -1.19 -4.09 118.33 111.80 1tvi n VAL 70 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 1tvi n VAL 70 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1tvi n VAL 70 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1tvi n TYR 71 N 0.00 -1.06 -2.73 3.52 4.01 -1.08 -4.78 117.16 115.03 1tvi n TYR 71 Ca 0.00 0.58 0.00 0.00 -0.16 0.00 0.00 57.90 58.32 1tvi n TYR 71 Cb 0.00 -1.60 0.00 0.00 -0.31 0.00 0.00 39.34 37.43 1tvi n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tvi n GLY 72 N -0.96 6.59 2.73 2.72 0.00 -1.21 -5.02 105.19 110.03 1tvi n GLY 72 Ca 0.10 -1.80 -0.19 0.00 0.00 0.00 0.00 46.02 44.14 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 1.27 0.05 -0.13 1.61 -1.05 -1.26 -1.53 118.70 117.65 1tvi s GLU 73 Ca 0.00 0.26 -0.03 0.00 -0.15 0.00 0.00 54.97 55.05 1tvi s GLU 73 Cb 0.00 -0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 33.18 1tvi s GLU 73 CO 0.00 -0.26 -0.01 -1.50 0.95 0.00 0.00 175.26 174.44 1tvi s ILE 74 N 1.71 4.18 -0.04 1.83 2.07 0.20 -4.18 121.20 126.97 1tvi s ILE 74 Ca -0.01 -0.27 -0.10 0.00 -1.41 0.00 0.00 60.65 58.86 1tvi s ILE 74 Cb -0.12 -2.81 -0.05 0.00 0.13 0.00 0.00 42.46 39.61 1tvi s ILE 74 CO -0.03 0.53 0.28 -0.31 -1.91 0.00 0.00 174.94 173.51 1tvi s TYR 75 N -0.13 3.65 0.03 3.50 1.51 0.30 0.42 117.35 126.63 1tvi s TYR 75 Ca 0.04 0.74 0.01 0.00 -1.01 0.00 0.00 57.07 56.85 1tvi s TYR 75 Cb -0.13 -2.10 -0.02 0.00 -0.11 0.00 0.00 41.96 39.60 1tvi s TYR 75 CO 0.02 0.67 -0.06 0.08 -1.11 0.00 0.00 175.55 175.15 1tvi s VAL 76 N -1.11 0.40 -0.27 0.71 1.01 0.56 -0.79 120.40 120.90 1tvi s VAL 76 Ca 0.22 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1tvi s VAL 76 Cb -0.14 -0.47 0.09 0.00 0.00 0.00 0.00 36.38 35.86 1tvi s VAL 76 CO 0.11 -0.34 0.11 0.00 0.00 0.00 0.00 175.10 174.97 1tvi n PRO 78 N 5.12 0.65 0.02 0.00 -0.04 -1.26 -2.57 135.00 136.92 1tvi n PRO 78 Ca -0.05 0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 63.31 1tvi n PRO 78 Cb 0.43 -1.50 -0.09 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 -0.12 -0.06 1.53 5.85 -1.90 -1.35 115.31 119.26 1tvi h LEU 79 Ca 0.00 -0.46 -0.25 0.00 0.84 0.00 0.00 57.88 58.01 1tvi h LEU 79 Cb 0.05 0.03 0.02 0.00 0.37 0.00 0.00 40.66 41.13 1tvi h LEU 79 CO 0.00 0.49 -0.95 0.40 -0.34 0.00 0.00 178.44 178.04 1tvi h ILE 80 N -0.82 1.28 0.12 4.05 5.03 -1.85 -2.79 117.51 122.52 1tvi h ILE 80 Ca -0.01 -2.14 0.02 0.00 -0.12 0.00 0.00 64.86 62.60 1tvi h ILE 80 Cb 0.57 2.23 -0.03 0.00 -3.03 0.00 0.00 36.82 36.56 1tvi h ILE 80 CO 0.02 0.67 -0.24 0.58 -0.68 0.00 0.00 178.15 178.50 1tvi h VAL 81 N 0.46 0.46 -0.35 1.67 2.07 -1.61 0.14 116.25 119.09 1tvi h VAL 81 Ca -0.10 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.49 1tvi h VAL 81 Cb 1.59 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.76 1tvi h VAL 81 CO 0.19 0.00 -0.10 -0.08 0.02 0.00 0.00 177.57 177.60 1tvi h GLU 82 N -0.45 -0.02 -0.70 1.57 4.81 -1.30 0.29 114.58 118.79 1tvi h GLU 82 Ca 0.03 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1tvi h GLU 82 Cb 0.47 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.79 1tvi h GLU 82 CO -0.14 -0.01 0.35 1.49 -0.73 0.00 0.00 179.01 179.97 1tvi h GLU 83 N -0.02 0.58 -0.35 1.92 4.57 -1.14 1.50 114.58 121.64 1tvi h GLU 83 Ca 0.17 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.26 1tvi h GLU 83 Cb 0.28 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1tvi h GLU 83 CO -0.37 0.39 -0.02 -0.91 -1.18 0.00 0.00 179.01 176.91 1tvi h ASN 84 N 0.60 0.53 1.05 1.04 -0.26 0.75 -1.14 115.58 118.16 1tvi h ASN 84 Ca 0.34 -0.11 -0.15 0.00 -0.56 0.00 0.00 56.30 55.81 1tvi h ASN 84 Cb 0.34 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.44 1tvi h ASN 84 CO -0.26 0.62 -0.74 0.00 -1.06 0.00 0.00 177.43 175.99 1tvi h ALA 85 N 1.45 0.61 0.00 -0.83 0.00 0.20 -2.57 119.26 118.11 1tvi h ALA 85 Ca 0.11 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 1tvi h ALA 85 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1tvi h ALA 85 CO 0.01 0.92 -0.38 0.00 0.00 0.00 0.00 179.25 179.81 1tvi h ARG 86 N 0.00 0.00 0.00 0.00 3.08 0.29 1.98 114.38 119.73 1tvi h ARG 86 Ca -0.01 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1tvi h ARG 86 Cb 1.46 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.49 1tvi h ARG 86 CO 0.10 0.38 -1.01 1.05 -1.07 0.00 0.00 179.97 179.42 1tvi h GLU 87 N 0.00 0.00 -0.06 0.04 4.11 -1.15 -3.32 114.58 114.21 1tvi h GLU 87 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1tvi h GLU 87 Cb 0.81 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1tvi h GLU 87 CO 0.05 0.43 -0.02 0.34 0.07 0.00 0.00 179.01 179.88 1tvi n PHE 88 N -3.06 0.22 -2.62 2.06 -0.00 -0.98 -4.95 117.46 108.13 1tvi n PHE 88 Ca -0.04 -1.00 -0.05 0.00 -0.00 0.00 0.00 57.45 56.36 1tvi n PHE 88 Cb 0.81 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.48 40.08 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 -1.22 -1.03 -4.81 -2.13 4.05 0.62 -4.82 115.26 105.91 1tvi n ASN 89 Ca 0.18 0.27 -0.32 0.00 0.45 0.00 0.00 54.58 55.16 1tvi n ASN 89 Cb 0.70 -1.01 0.03 0.00 1.23 0.00 0.00 39.78 40.73 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 -2.03 5.58 -0.74 1.20 2.47 0.18 -4.93 114.94 116.67 1tvi s ASN 90 Ca 0.10 1.75 -0.26 0.00 0.42 0.00 0.00 52.86 54.86 1tvi s ASN 90 Cb -0.06 -2.52 -0.01 0.00 -1.45 0.00 0.00 41.25 37.22 1tvi s ASN 90 CO 0.12 -1.31 1.69 -0.89 -3.72 0.00 0.00 177.10 172.99 1tvi s THR 91 N -2.68 3.53 0.28 -5.21 2.01 -1.26 -4.67 115.64 107.63 1tvi s THR 91 Ca 0.61 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.67 1tvi s THR 91 Cb -0.15 -4.32 0.28 0.00 0.01 0.00 0.00 72.50 68.31 1tvi s THR 91 CO 0.44 -1.27 1.83 0.15 -0.69 0.00 0.00 174.62 175.08 1tvi h PHE 92 N 12.45 1.11 0.29 4.92 3.57 -1.91 0.39 116.94 137.76 1tvi h PHE 92 Ca -0.15 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1tvi h PHE 92 Cb 1.09 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1tvi h PHE 92 CO 1.12 0.42 -0.31 1.05 -2.23 0.00 0.00 178.31 178.37 1tvi h GLU 93 N 0.95 -0.61 -0.55 1.11 4.11 -1.98 -0.26 114.58 117.35 1tvi h GLU 93 Ca 0.50 0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.93 1tvi h GLU 93 Cb 0.52 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1tvi h GLU 93 CO -0.28 -0.41 0.17 -0.22 0.07 0.00 0.00 179.01 178.34 1tvi h LYS 94 N -0.63 0.83 -0.95 1.06 3.64 -1.79 -0.11 116.57 118.62 1tvi h LYS 94 Ca -0.01 -0.15 0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1tvi h LYS 94 Cb 0.58 -0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.19 1tvi h LYS 94 CO -0.07 0.73 0.59 1.49 -2.27 0.00 0.00 179.45 179.91 1tvi h GLU 95 N 0.81 0.91 0.02 1.90 4.22 0.46 0.11 114.58 123.01 1tvi h GLU 95 Ca 0.18 -0.05 -0.17 0.00 0.08 0.00 0.00 59.36 59.40 1tvi h GLU 95 Cb 0.25 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.31 1tvi h GLU 95 CO -0.01 0.60 -0.68 1.25 -2.18 0.00 0.00 179.01 177.99 1tvi h LEU 96 N 0.94 0.57 -0.86 1.64 6.46 -0.39 -3.22 115.31 120.45 1tvi h LEU 96 Ca 0.47 -0.78 0.18 0.00 -0.12 0.00 0.00 57.88 57.63 1tvi h LEU 96 Cb 0.45 -0.18 -0.11 0.00 -0.73 0.00 0.00 40.66 40.10 1tvi h LEU 96 CO -0.26 1.28 0.40 -0.07 -0.62 0.00 0.00 178.44 179.17 1tvi h LEU 97 N -0.08 0.41 -0.34 2.25 4.07 -0.08 0.16 115.31 121.71 1tvi h LEU 97 Ca -0.09 0.12 0.05 0.00 0.08 0.00 0.00 57.88 58.04 1tvi h LEU 97 Cb 1.40 0.07 -0.05 0.00 1.08 0.00 0.00 40.66 43.17 1tvi h LEU 97 CO 0.13 0.11 0.05 -0.33 -1.08 0.00 0.00 178.44 177.32 1tvi h GLU 98 N 0.50 0.16 0.00 1.13 5.08 -0.83 0.87 114.58 121.48 1tvi h GLU 98 Ca 0.50 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 1tvi h GLU 98 Cb 0.83 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1tvi h GLU 98 CO -0.44 0.10 -0.09 -0.39 -1.00 0.00 0.00 179.01 177.19 1tvi h VAL 99 N 0.16 0.55 0.07 3.13 -1.51 -0.78 1.62 116.25 119.50 1tvi h VAL 99 Ca 0.16 -0.43 -0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1tvi h VAL 99 Cb 0.19 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1tvi h VAL 99 CO -0.23 0.09 -0.04 0.58 -1.23 0.00 0.00 177.57 176.75 1tvi h VAL 100 N 0.00 0.30 0.00 7.19 2.07 0.13 -3.28 116.25 122.66 1tvi h VAL 100 Ca -0.00 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1tvi h VAL 100 Cb 0.27 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1tvi h VAL 100 CO 0.01 0.10 0.00 0.16 0.02 0.00 0.00 177.57 177.86 1tvi h ILE 101 N -1.01 0.00 -0.34 4.57 3.07 0.78 -2.64 117.51 121.94 1tvi h ILE 101 Ca -0.01 -0.33 0.10 0.00 1.55 0.00 0.00 64.86 66.17 1tvi h ILE 101 Cb 0.23 1.19 -0.01 0.00 -0.27 0.00 0.00 36.82 37.96 1tvi h ILE 101 CO 0.02 0.00 0.51 0.45 -1.05 0.00 0.00 178.15 178.08 1tvi h HIS 102 N 0.00 0.00 0.06 0.16 3.86 0.23 4.13 115.15 123.59 1tvi h HIS 102 Ca 0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 1tvi h HIS 102 Cb 0.39 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 1tvi h HIS 102 CO 0.00 0.00 -0.76 0.78 0.86 0.00 0.00 177.93 178.81 1tvi h GLY 103 N 0.00 0.14 0.19 2.45 0.00 -1.64 -3.16 103.07 101.05 1tvi h GLY 103 Ca 0.16 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1tvi h GLY 103 CO -0.00 0.32 -0.21 -2.22 0.00 0.00 0.00 176.54 174.42 1tvi h ILE 104 N -0.69 1.72 -0.67 2.60 2.04 -0.93 -2.62 117.51 118.95 1tvi h ILE 104 Ca -0.17 -2.38 0.13 0.00 1.00 0.00 0.00 64.86 63.44 1tvi h ILE 104 Cb 1.38 3.33 -0.13 0.00 -0.74 0.00 0.00 36.82 40.67 1tvi h ILE 104 CO 0.01 0.63 -0.20 0.17 0.00 0.00 0.00 178.15 178.76 1tvi h LEU 105 N -0.83 -0.73 -0.68 1.44 8.10 0.76 1.93 115.31 125.31 1tvi h LEU 105 Ca -0.04 0.21 -0.04 0.00 0.11 0.00 0.00 57.88 58.12 1tvi h LEU 105 Cb 1.16 0.45 -0.03 0.00 -0.44 0.00 0.00 40.66 41.80 1tvi h LEU 105 CO 0.04 -0.24 0.26 1.12 -4.11 0.00 0.00 178.44 175.51 1tvi h HIS 106 N -0.03 1.05 0.00 0.17 2.07 -1.64 -0.03 115.15 116.74 1tvi h HIS 106 Ca 0.31 -0.09 0.00 0.00 -2.85 0.00 0.00 60.37 57.75 1tvi h HIS 106 Cb 0.51 -0.31 0.00 0.00 2.57 0.00 0.00 27.41 30.18 1tvi h HIS 106 CO -0.57 0.82 0.00 1.28 -3.07 0.00 0.00 177.93 176.39 1tvi n LEU 107 N -4.37 0.00 -0.00 6.12 4.77 0.16 -2.57 117.00 121.10 1tvi n LEU 107 Ca 0.05 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.18 1tvi n LEU 107 Cb 0.19 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 42.01 1tvi n LEU 107 CO 0.40 0.00 1.01 0.00 -1.33 0.00 0.00 177.39 177.47 1tvi n ALA 108 N -0.96 2.49 0.00 -1.18 0.00 0.61 -4.98 120.51 116.49 1tvi n ALA 108 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1tvi n ALA 108 Cb 0.09 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1tvi n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tvi n GLY 109 N 1.31 -0.33 1.11 0.00 0.00 -1.06 -5.07 105.19 101.15 1tvi n GLY 109 Ca 0.14 -1.03 0.15 0.00 0.00 0.00 0.00 46.02 45.28 1tvi n GLY 109 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tvi n TYR 110 N 9.00 -2.79 -2.74 1.61 4.01 -1.26 -4.83 117.16 120.16 1tvi n TYR 110 Ca 0.00 1.39 -0.05 0.00 -0.16 0.00 0.00 57.90 59.08 1tvi n TYR 110 Cb 0.00 -2.53 0.03 0.00 -0.31 0.00 0.00 39.34 36.52 1tvi n TYR 110 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1tvi n ASP 111 N -3.52 -2.93 -0.79 7.72 8.00 -1.26 -5.05 116.55 118.73 1tvi n ASP 111 Ca 0.01 -2.70 0.03 0.00 0.71 0.00 0.00 54.79 52.84 1tvi n ASP 111 Cb 0.51 1.58 -0.02 0.00 -0.02 0.00 0.00 41.12 43.17 1tvi n ASP 111 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1tvi n HIS 112 N 2.46 -2.14 0.00 1.24 8.25 -1.26 -4.80 115.22 118.97 1tvi n HIS 112 Ca 0.14 1.17 0.00 0.00 -0.26 0.00 0.00 57.72 58.77 1tvi n HIS 112 Cb 0.60 -2.01 0.00 0.00 1.12 0.00 0.00 29.99 29.70 1tvi n HIS 112 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1tvi n GLU 113 N -2.49 0.00 0.21 -0.41 2.13 -1.26 -4.62 120.64 114.20 1tvi n GLU 113 Ca -0.02 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.88 1tvi n GLU 113 Cb 0.29 0.00 0.38 0.00 0.27 0.00 0.00 31.44 32.38 1tvi n GLU 113 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 1tvi h PHE 114 N 0.00 0.00 0.07 4.31 0.04 -1.95 -3.30 116.94 116.12 1tvi h PHE 114 Ca 0.00 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 1tvi h PHE 114 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1tvi h PHE 114 CO 0.00 0.28 -0.28 0.93 -0.60 0.00 0.00 178.31 178.64 1tvi h GLU 115 N 0.00 -0.39 -4.21 1.51 4.39 -1.97 -3.28 114.58 110.64 1tvi h GLU 115 Ca -0.00 0.03 -0.76 0.00 0.34 0.00 0.00 59.36 58.97 1tvi h GLU 115 Cb 0.85 0.09 -0.23 0.00 -0.10 0.00 0.00 28.75 29.36 1tvi h GLU 115 CO 0.04 -0.26 0.40 -0.51 -1.16 0.00 0.00 179.01 177.52 1tvi s ASP 116 N -3.59 6.78 0.00 1.42 -0.00 -1.24 -4.92 116.67 115.11 1tvi s ASP 116 Ca -0.09 -2.58 0.00 0.00 -0.00 0.00 0.00 52.55 49.89 1tvi s ASP 116 Cb 0.03 -2.28 0.00 0.00 -0.00 0.00 0.00 42.92 40.68 1tvi s ASP 116 CO 0.32 -0.71 0.00 1.17 -0.00 0.00 0.00 175.17 175.95 1tvi n LYS 117 N 4.73 0.00 0.00 8.23 0.00 -1.24 -4.96 118.16 124.92 1tvi n LYS 117 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.50 1tvi n LYS 117 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.50 1tvi n LYS 117 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1tvi n ASN 118 N 0.00 0.00 -1.35 3.14 3.02 -1.26 -4.81 115.26 114.00 1tvi n ASN 118 Ca 0.00 0.33 0.16 0.00 -0.03 0.00 0.00 54.58 55.04 1tvi n ASN 118 Cb 0.00 -0.47 -0.08 0.00 -0.61 0.00 0.00 39.78 38.62 1tvi n ASN 118 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1tvi n SER 119 N -2.06 -7.03 0.09 6.41 7.64 -1.26 -1.71 113.62 115.70 1tvi n SER 119 Ca 0.00 1.24 -0.18 0.00 1.01 0.00 0.00 58.87 60.94 1tvi n SER 119 Cb 0.00 -4.56 -0.14 0.00 -1.01 0.00 0.00 64.21 58.49 1tvi n SER 119 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1tvi h LYS 120 N -1.40 0.30 -0.01 1.43 2.10 -1.98 -2.79 116.57 114.22 1tvi h LYS 120 Ca -0.16 -0.51 -0.08 0.00 -2.00 0.00 0.00 60.65 57.90 1tvi h LYS 120 Cb 1.24 0.19 0.01 0.00 -0.90 0.00 0.00 32.23 32.77 1tvi h LYS 120 CO 0.06 1.20 -0.30 0.93 -2.00 0.00 0.00 179.45 179.35 1tvi h GLU 121 N 0.08 0.22 -0.10 0.07 5.08 -2.00 -2.64 114.58 115.29 1tvi h GLU 121 Ca -0.21 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1tvi h GLU 121 Cb 2.02 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 31.31 1tvi h GLU 121 CO 0.19 0.94 -0.05 0.52 -1.00 0.00 0.00 179.01 179.61 1tvi h MET 122 N -0.42 -0.04 -0.25 2.33 2.86 -1.70 -1.43 114.93 116.28 1tvi h MET 122 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1tvi h MET 122 Cb 1.04 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 1tvi h MET 122 CO 0.06 -0.03 0.16 0.35 1.06 0.00 0.00 176.91 178.51 1tvi h PHE 123 N -0.04 0.32 0.85 -0.22 3.04 -1.04 -1.40 116.94 118.46 1tvi h PHE 123 Ca 0.06 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.97 1tvi h PHE 123 Cb 0.13 -0.11 0.01 0.00 2.56 0.00 0.00 35.95 38.54 1tvi h PHE 123 CO -0.17 0.21 -0.41 0.93 -2.02 0.00 0.00 178.31 176.85 1tvi h GLU 124 N 0.34 -1.10 -0.87 1.11 5.08 -0.91 0.12 114.58 118.35 1tvi h GLU 124 Ca 0.09 0.08 0.15 0.00 -1.00 0.00 0.00 59.36 58.68 1tvi h GLU 124 Cb -0.02 0.25 -0.10 0.00 0.50 0.00 0.00 28.75 29.38 1tvi h GLU 124 CO -0.02 -0.73 0.46 0.87 -1.00 0.00 0.00 179.01 178.59 1tvi h LYS 125 N -1.31 0.63 -0.90 2.33 1.57 -1.09 0.34 116.57 118.14 1tvi h LYS 125 Ca -0.12 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1tvi h LYS 125 Cb 0.88 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 1tvi h LYS 125 CO 0.19 0.42 0.52 0.37 -0.57 0.00 0.00 179.45 180.37 1tvi h GLN 126 N 0.65 1.25 -0.02 3.15 4.15 -1.11 -1.31 115.11 121.87 1tvi h GLN 126 Ca 0.48 -0.13 -0.10 0.00 0.77 0.00 0.00 58.65 59.67 1tvi h GLN 126 Cb 0.68 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1tvi h GLN 126 CO -0.36 0.89 -0.46 0.87 -1.93 0.00 0.00 178.83 177.84 1tvi h LYS 127 N 1.26 0.04 -0.23 1.69 1.57 0.22 -1.36 116.57 119.75 1tvi h LYS 127 Ca 0.32 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.13 1tvi h LYS 127 Cb -0.01 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.23 1tvi h LYS 127 CO -0.06 0.49 -0.44 -0.22 -0.57 0.00 0.00 179.45 178.65 1tvi h LYS 128 N 0.03 -0.43 -0.12 3.15 3.64 0.70 1.26 116.57 124.80 1tvi h LYS 128 Ca -0.00 0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.20 1tvi h LYS 128 Cb 0.82 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1tvi h LYS 128 CO 0.06 -0.29 -0.75 1.88 -2.27 0.00 0.00 179.45 178.09 1tvi h TYR 129 N -0.44 0.84 -0.63 1.91 0.05 -1.48 -2.27 116.97 114.95 1tvi h TYR 129 Ca 0.09 -0.37 0.06 0.00 0.05 0.00 0.00 58.73 58.56 1tvi h TYR 129 Cb 0.62 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 38.17 1tvi h TYR 129 CO -0.55 1.17 0.33 -0.24 -1.05 0.00 0.00 178.16 177.82 1tvi h VAL 130 N 0.43 0.94 -0.44 -2.88 3.04 -0.42 0.65 116.25 117.56 1tvi h VAL 130 Ca -0.04 -0.21 -0.10 0.00 -1.01 0.00 0.00 66.70 65.34 1tvi h VAL 130 Cb 1.35 0.28 -0.01 0.00 -2.01 0.00 0.00 31.29 30.90 1tvi h VAL 130 CO 0.14 0.11 -0.12 -0.33 -1.01 0.00 0.00 177.57 176.36 1tvi h GLU 131 N 0.61 0.86 -0.49 4.17 4.39 0.16 1.58 114.58 125.85 1tvi h GLU 131 Ca 0.29 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1tvi h GLU 131 Cb 0.21 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1tvi h GLU 131 CO -0.19 0.97 0.22 0.93 -1.16 0.00 0.00 179.01 179.78 1tvi h GLU 132 N 0.69 0.72 0.04 2.33 5.08 -0.69 0.51 114.58 123.26 1tvi h GLU 132 Ca 0.11 -0.11 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1tvi h GLU 132 Cb 0.66 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.81 1tvi h GLU 132 CO 0.05 0.62 -0.92 0.28 -1.00 0.00 0.00 179.01 178.04 1tvi h VAL 133 N 0.66 1.35 0.00 3.13 2.07 0.38 -2.90 116.25 120.94 1tvi h VAL 133 Ca 0.17 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.43 1tvi h VAL 133 Cb 0.14 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1tvi h VAL 133 CO -0.02 0.68 0.00 1.87 0.02 0.00 0.00 177.57 180.12 1tvi n TRP 134 N -3.99 0.60 -0.11 1.57 -0.00 0.54 -2.38 117.44 113.67 1tvi n TRP 134 Ca -0.12 0.26 0.27 0.00 -0.00 0.00 0.00 57.50 57.91 1tvi n TRP 134 Cb 0.83 -0.92 0.71 0.00 -0.00 0.00 0.00 31.31 31.94 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 1.56 0.00 0.00 5.87 0.00 0.24 1.50 103.07 112.25 1tvi h GLY 135 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1tvi h GLY 135 CO 0.00 0.00 -0.53 -2.09 0.00 0.00 0.00 176.54 173.92 1tvi h GLU 136 N 0.00 0.00 -0.03 4.80 4.81 -1.68 -3.34 114.58 119.15 1tvi h GLU 136 Ca 0.37 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.61 1tvi h GLU 136 Cb 1.66 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.03 1tvi h GLU 136 CO -0.00 0.24 0.17 -1.49 -0.73 0.00 0.00 179.01 177.20 1tvi h TRP 137 N -1.00 0.00 -1.04 0.92 4.06 -1.53 -0.69 115.95 116.68 1tvi h TRP 137 Ca -0.07 0.00 0.28 0.00 2.06 0.00 0.00 58.89 61.16 1tvi h TRP 137 Cb 0.59 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.63 1tvi h TRP 137 CO -0.09 0.00 0.63 -0.09 -3.56 0.00 0.00 178.44 175.33 1tvi h ARG 138 N 0.00 0.44 0.00 0.49 2.43 0.20 1.71 114.38 119.65 1tvi h ARG 138 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1tvi h ARG 138 Cb 0.36 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1tvi h ARG 138 CO -0.00 0.29 0.15 0.77 -1.51 0.00 0.00 179.97 179.67 1tvi h SER 139 N 0.45 0.00 -3.94 -3.80 0.02 -1.33 -3.17 113.55 101.79 1tvi h SER 139 Ca 0.65 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.97 1tvi h SER 139 Cb 1.47 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.60 1tvi h SER 139 CO -0.44 0.00 -0.62 0.20 -1.14 0.00 0.00 176.83 174.84 1tvi s ASN 140 N -4.31 4.43 0.20 3.07 0.01 0.58 -5.09 114.94 113.83 1tvi s ASN 140 Ca -0.03 -3.27 0.00 0.00 -0.71 0.00 0.00 52.86 48.85 1tvi s ASN 140 Cb 0.08 -1.61 0.00 0.00 0.41 0.00 0.00 41.25 40.13 1tvi s ASN 140 CO 0.26 -0.18 0.00 -0.81 -1.51 0.00 0.00 177.10 174.85 1tvi n PRO 141 N 2.76 0.71 -1.00 -0.60 -0.04 -1.20 -4.94 135.00 130.68 1tvi n PRO 141 Ca 0.10 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.23 1tvi n PRO 141 Cb 0.33 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.81 1tvi n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1tvi n SER 142 N -0.59 -3.80 0.00 3.54 2.88 -1.26 -4.75 113.62 109.64 1tvi n SER 142 Ca 0.00 0.43 0.13 0.00 -1.33 0.00 0.00 58.87 58.10 1tvi n SER 142 Cb 0.00 -0.70 0.75 0.00 -0.75 0.00 0.00 64.21 63.51 1tvi n SER 142 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1tvi n GLU 143 N 1.57 0.74 0.00 -1.46 -0.58 -1.26 -4.98 120.64 114.66 1tvi n GLU 143 Ca 0.04 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1tvi n GLU 143 Cb 0.43 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 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 -1.05 0.00 -2.43 1.62 -0.08 -1.26 -5.02 116.55 108.32 1tvi n ASP 144 Ca 0.18 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.43 1tvi n ASP 144 Cb 0.11 0.56 0.02 0.00 2.34 0.00 0.00 41.12 44.16 1tvi n ASP 144 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1tvi n SER 145 N -1.52 -1.06 -3.74 1.67 3.41 -1.26 -5.15 113.62 105.96 1tvi n SER 145 Ca 0.00 -1.70 -0.11 0.00 -0.26 0.00 0.00 58.87 56.80 1tvi n SER 145 Cb 0.00 0.77 -0.07 0.00 -0.26 0.00 0.00 64.21 64.65 1tvi n SER 145 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1tvi s ASP 146 N -0.40 -0.12 0.36 4.04 -4.77 -1.26 -5.04 116.67 109.48 1tvi s ASP 146 Ca 0.06 -0.27 0.19 0.00 -3.30 0.00 0.00 52.55 49.23 1tvi s ASP 146 Cb 0.14 0.38 0.53 0.00 -1.09 0.00 0.00 42.92 42.88 1tvi s ASP 146 CO -0.03 -0.68 1.66 1.55 0.70 0.00 0.00 175.17 178.36 1tvi h PRO 147 N 2.98 0.00 0.00 2.11 0.13 -2.02 -3.46 132.00 131.75 1tvi h PRO 147 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1tvi h PRO 147 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1tvi h PRO 147 CO 0.47 0.37 0.00 0.41 -0.23 0.00 0.00 178.00 179.02 1tvi n GLY 148 N 0.58 0.33 3.98 1.56 0.00 -1.26 -4.88 105.19 105.50 1tvi n GLY 148 Ca 0.01 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.62 0.00 1.61 4.81 -1.26 -5.30 118.16 117.40 1tvi n LYS 149 Ca 0.00 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 1tvi n LYS 149 Cb 0.00 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.47 1tvi n LYS 149 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46