#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5n s SER 2 N 0.00 2.56 -0.04 1.61 1.04 -1.26 -5.13 113.70 112.47 1v5n s SER 2 Ca 0.00 -0.49 -0.17 0.00 0.48 0.00 0.00 55.95 55.77 1v5n s SER 2 Cb 0.00 -0.24 -0.05 0.00 0.10 0.00 0.00 66.02 65.83 1v5n s SER 2 CO 0.00 0.20 0.48 -0.55 0.98 0.00 0.00 173.24 174.35 1v5n s SER 3 N -0.99 6.80 0.00 7.02 0.15 -1.26 -5.07 113.70 120.36 1v5n s SER 3 Ca 0.08 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.69 1v5n s SER 3 Cb -0.09 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1v5n s SER 3 CO 0.01 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.21 1v5n n GLY 4 N 2.52 4.10 3.31 9.45 0.00 -1.26 -5.17 105.19 118.14 1v5n n GLY 4 Ca -0.10 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 1v5n n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v5n s SER 5 N 0.37 -0.23 -0.27 1.61 0.15 -1.26 -5.08 113.70 109.00 1v5n s SER 5 Ca 0.00 -0.25 -0.07 0.00 0.70 0.00 0.00 55.95 56.33 1v5n s SER 5 Cb 0.00 0.45 -0.15 0.00 -1.71 0.00 0.00 66.02 64.62 1v5n s SER 5 CO 0.00 -0.79 -0.28 -1.20 1.20 0.00 0.00 173.24 172.17 1v5n n SER 6 N -0.01 1.97 0.00 5.45 7.64 -1.26 -5.10 113.62 122.31 1v5n n SER 6 Ca -0.17 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1v5n n SER 6 Cb 0.63 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1v5n n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v5n n GLY 7 N 1.72 1.31 3.77 0.23 0.00 -1.26 -5.05 105.19 105.91 1v5n n GLY 7 Ca -0.50 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 1v5n n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v5n s THR 8 N 0.00 3.19 0.16 2.61 -4.23 -1.26 -5.06 115.64 111.04 1v5n s THR 8 Ca 0.00 0.38 0.06 0.00 -1.18 0.00 0.00 61.69 60.96 1v5n s THR 8 Cb 0.00 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 1v5n s THR 8 CO 0.00 -0.50 0.05 -1.61 -0.54 0.00 0.00 174.62 172.01 1v5n s GLU 9 N -4.99 2.60 -0.11 3.99 0.41 -1.26 -5.06 118.70 114.27 1v5n s GLU 9 Ca 0.61 -0.98 -0.04 0.00 -0.41 0.00 0.00 54.97 54.15 1v5n s GLU 9 Cb -0.16 -2.49 -0.03 0.00 -1.78 0.00 0.00 34.13 29.68 1v5n s GLU 9 CO 0.56 0.48 0.01 1.49 -0.49 0.00 0.00 175.26 177.30 1v5n h GLU 10 N 2.71 0.00 -4.43 1.61 4.81 -2.05 -3.43 114.58 113.80 1v5n h GLU 10 Ca -0.47 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.03 1v5n h GLU 10 Cb 1.20 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.36 1v5n h GLU 10 CO 0.60 0.08 -0.17 1.03 -0.73 0.00 0.00 179.01 179.82 1v5n s ARG 11 N -1.76 3.02 -0.49 1.92 0.52 -1.26 -4.94 118.95 115.95 1v5n s ARG 11 Ca -0.05 -1.35 -0.02 0.00 -0.52 0.00 0.00 55.73 53.79 1v5n s ARG 11 Cb 0.00 -4.19 0.21 0.00 0.52 0.00 0.00 34.95 31.50 1v5n s ARG 11 CO 0.10 -1.21 2.31 1.28 0.02 0.00 0.00 175.30 177.81 1v5n n LEU 12 N 5.55 6.81 0.09 2.53 4.32 -1.26 -4.71 117.00 130.32 1v5n n LEU 12 Ca -0.11 -3.95 -0.09 0.00 -0.02 0.00 0.00 56.01 51.83 1v5n n LEU 12 Cb 0.43 -1.11 -0.06 0.00 -1.62 0.00 0.00 43.42 41.06 1v5n n LEU 12 CO 0.52 1.53 0.51 0.50 -1.22 0.00 0.00 177.39 179.22 1v5n h LYS 13 N 2.34 -0.44 -0.01 3.23 3.64 -1.99 0.15 116.57 123.49 1v5n h LYS 13 Ca 0.42 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.84 1v5n h LYS 13 Cb 0.71 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 1v5n h LYS 13 CO 1.03 -0.29 -0.38 1.49 -2.27 0.00 0.00 179.45 179.02 1v5n h GLU 14 N -0.46 -0.45 -0.88 1.90 4.81 -2.01 -1.49 114.58 116.01 1v5n h GLU 14 Ca -0.01 0.03 0.23 0.00 -0.13 0.00 0.00 59.36 59.48 1v5n h GLU 14 Cb 0.44 0.10 -0.15 0.00 0.63 0.00 0.00 28.75 29.77 1v5n h GLU 14 CO -0.13 -0.30 0.12 0.82 -0.73 0.00 0.00 179.01 178.78 1v5n h ILE 15 N -0.47 0.23 -0.47 2.32 1.08 -1.91 0.28 117.51 118.57 1v5n h ILE 15 Ca 0.01 -0.04 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 1v5n h ILE 15 Cb 0.51 0.11 -0.05 0.00 -3.07 0.00 0.00 36.82 34.31 1v5n h ILE 15 CO -0.26 0.02 0.18 -0.33 -0.69 0.00 0.00 178.15 177.07 1v5n h GLU 16 N 0.12 0.35 -0.65 2.37 5.08 0.27 -2.18 114.58 119.94 1v5n h GLU 16 Ca 0.53 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 59.00 1v5n h GLU 16 Cb 1.05 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 30.12 1v5n h GLU 16 CO -0.74 0.23 0.13 0.00 -1.00 0.00 0.00 179.01 177.64 1v5n h ALA 17 N 1.30 0.78 -0.75 3.43 0.00 0.51 0.21 119.26 124.75 1v5n h ALA 17 Ca 0.22 0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.42 1v5n h ALA 17 Cb 0.21 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 1v5n h ALA 17 CO -0.21 -0.33 0.30 0.87 0.00 0.00 0.00 179.25 179.88 1v5n h LYS 18 N 0.25 0.43 -0.01 0.00 6.56 -1.11 -1.12 116.57 121.57 1v5n h LYS 18 Ca 0.35 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.90 1v5n h LYS 18 Cb 0.56 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1v5n h LYS 18 CO -0.46 0.28 -0.04 1.88 -2.06 0.00 0.00 179.45 179.06 1v5n h TYR 19 N 0.44 0.06 -1.05 -1.35 0.05 -1.00 -3.24 116.97 110.88 1v5n h TYR 19 Ca 0.41 -0.03 0.30 0.00 0.05 0.00 0.00 58.73 59.47 1v5n h TYR 19 Cb 0.62 -0.01 -0.13 0.00 1.01 0.00 0.00 36.73 38.22 1v5n h TYR 19 CO -0.17 0.71 0.63 -0.44 -1.05 0.00 0.00 178.16 177.85 1v5n h ASP 20 N -0.61 0.51 -0.35 3.88 5.19 -0.15 0.84 116.42 125.74 1v5n h ASP 20 Ca -0.00 0.15 0.04 0.00 -0.62 0.00 0.00 57.03 56.59 1v5n h ASP 20 Cb 0.72 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.29 1v5n h ASP 20 CO 0.01 -0.02 0.24 -0.08 -3.12 0.00 0.00 179.24 176.26 1v5n h GLU 21 N 0.38 0.30 0.03 3.56 4.81 -1.24 -0.58 114.58 121.84 1v5n h GLU 21 Ca 0.69 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.68 1v5n h GLU 21 Cb 1.62 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.93 1v5n h GLU 21 CO -0.48 0.20 -0.99 0.82 -0.73 0.00 0.00 179.01 177.84 1v5n h ILE 22 N 0.31 1.48 -0.88 2.32 2.04 0.60 -3.26 117.51 120.13 1v5n h ILE 22 Ca 0.15 -2.72 -0.56 0.00 1.00 0.00 0.00 64.86 62.73 1v5n h ILE 22 Cb 0.20 2.59 -0.29 0.00 -0.74 0.00 0.00 36.82 38.58 1v5n h ILE 22 CO -0.03 0.80 0.45 0.00 0.00 0.00 0.00 178.15 179.37 1v5n n ALA 23 N -2.49 5.71 -0.16 1.87 0.00 -0.56 -4.64 120.51 120.24 1v5n n ALA 23 Ca -0.05 -3.34 -0.09 0.00 0.00 0.00 0.00 53.44 49.96 1v5n n ALA 23 Cb 0.87 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 1v5n n ALA 23 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1v5n h LYS 24 N 1.65 0.71 0.00 0.00 1.57 -1.20 -3.19 116.57 116.11 1v5n h LYS 24 Ca 0.53 -0.17 -0.28 0.00 -1.87 0.00 0.00 60.65 58.87 1v5n h LYS 24 Cb 1.54 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.70 1v5n h LYS 24 CO 1.20 0.70 -1.71 -3.47 -0.57 0.00 0.00 179.45 175.60 1v5n n ASP 25 N -4.52 0.83 -4.67 0.86 -0.08 -1.26 -4.91 116.55 102.80 1v5n n ASP 25 Ca 0.00 0.39 -0.53 0.00 -1.51 0.00 0.00 54.79 53.15 1v5n n ASP 25 Cb 0.20 0.01 -0.06 0.00 2.34 0.00 0.00 41.12 43.62 1v5n n ASP 25 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 1v5n n TRP 26 N -3.01 1.97 -1.09 -0.67 7.02 -1.21 -4.94 117.44 115.51 1v5n n TRP 26 Ca -0.17 0.43 -0.30 0.00 -1.02 0.00 0.00 57.50 56.45 1v5n n TRP 26 Cb 1.03 -2.47 0.23 0.00 -2.42 0.00 0.00 31.31 27.69 1v5n n TRP 26 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1v5n s PRO 27 N 2.46 -1.08 -0.16 -0.99 0.04 -1.26 -4.99 135.00 129.02 1v5n s PRO 27 Ca 0.91 -0.01 0.05 0.00 0.04 0.00 0.00 61.00 61.98 1v5n s PRO 27 Cb -0.92 -1.61 -0.23 0.00 0.04 0.00 0.00 34.50 31.78 1v5n s PRO 27 CO 0.54 -3.63 0.20 1.63 0.04 0.00 0.00 177.00 175.79 1v5n n LYS 28 N -4.71 0.69 -4.82 4.56 4.76 -1.26 -4.68 118.16 112.70 1v5n n LYS 28 Ca 0.12 0.19 -0.30 0.00 -2.87 0.00 0.00 58.31 55.45 1v5n n LYS 28 Cb 0.59 -1.64 -0.17 0.00 -1.84 0.00 0.00 35.03 31.98 1v5n n LYS 28 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1v5n s LYS 29 N -2.54 2.67 0.03 1.97 -0.14 -1.26 -1.98 119.74 118.48 1v5n s LYS 29 Ca -0.20 -0.74 0.08 0.00 -1.36 0.00 0.00 55.97 53.75 1v5n s LYS 29 Cb 0.07 -2.12 -0.02 0.00 -1.68 0.00 0.00 37.83 34.08 1v5n s LYS 29 CO 0.75 0.05 -0.22 0.54 -0.76 0.00 0.00 175.35 175.71 1v5n s VAL 30 N 0.65 1.81 -0.98 3.17 0.11 -1.00 -4.95 120.40 119.21 1v5n s VAL 30 Ca -0.13 -1.19 -0.10 0.00 -2.93 0.00 0.00 61.98 57.63 1v5n s VAL 30 Cb -0.16 -1.55 0.25 0.00 -1.53 0.00 0.00 36.38 33.39 1v5n s VAL 30 CO 0.03 0.31 0.95 -0.75 -3.33 0.00 0.00 175.10 172.31 1v5n s LYS 31 N -1.05 3.88 0.55 1.54 2.47 -1.26 -1.03 119.74 124.84 1v5n s LYS 31 Ca 0.09 -2.94 -0.20 0.00 -1.56 0.00 0.00 55.97 51.35 1v5n s LYS 31 Cb -0.09 -4.44 -0.05 0.00 -1.46 0.00 0.00 37.83 31.78 1v5n s LYS 31 CO 0.01 -1.26 1.19 -1.58 0.16 0.00 0.00 175.35 173.87 1v5n s HIS 32 N -0.75 2.57 0.02 4.03 5.65 -1.26 -4.84 115.29 120.71 1v5n s HIS 32 Ca 0.26 1.52 -0.22 0.00 0.25 0.00 0.00 55.06 56.86 1v5n s HIS 32 Cb -0.10 -3.43 -0.16 0.00 -1.18 0.00 0.00 32.58 27.71 1v5n s HIS 32 CO -0.09 -1.93 1.33 -0.24 -0.65 0.00 0.00 174.74 173.17 1v5n h VAL 33 N 1.24 1.35 0.00 0.89 3.04 -1.95 0.81 116.25 121.62 1v5n h VAL 33 Ca -0.50 -1.19 -0.02 0.00 -1.01 0.00 0.00 66.70 63.97 1v5n h VAL 33 Cb 1.28 1.94 -0.00 0.00 -2.01 0.00 0.00 31.29 32.49 1v5n h VAL 33 CO 0.57 0.34 -0.12 -0.07 -1.01 0.00 0.00 177.57 177.28 1v5n h LEU 34 N -0.18 0.00 -3.05 3.16 3.38 -2.00 -2.37 115.31 114.26 1v5n h LEU 34 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1v5n h LEU 34 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1v5n h LEU 34 CO 0.02 0.12 -0.24 1.57 0.09 0.00 0.00 178.44 180.00 1v5n n HIS 35 N -3.89 0.16 -0.32 1.13 -0.00 -1.15 -4.81 115.22 106.35 1v5n n HIS 35 Ca -0.02 -1.28 0.29 0.00 0.46 0.00 0.00 57.72 57.17 1v5n n HIS 35 Cb 0.21 -0.24 0.52 0.00 -0.12 0.00 0.00 29.99 30.36 1v5n n HIS 35 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1v5n n GLU 36 N -1.21 -0.04 -0.28 1.57 0.28 0.28 -0.63 120.64 120.61 1v5n n GLU 36 Ca 0.19 1.10 -0.02 0.00 -0.16 0.00 0.00 57.16 58.27 1v5n n GLU 36 Cb 0.72 -2.05 0.01 0.00 1.43 0.00 0.00 31.44 31.55 1v5n n GLU 36 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1v5n n GLU 37 N -4.65 -0.19 -4.42 3.44 -0.58 -1.26 -4.63 120.64 108.35 1v5n n GLU 37 Ca 0.32 1.08 -0.23 0.00 -0.42 0.00 0.00 57.16 57.91 1v5n n GLU 37 Cb 1.17 -1.61 -0.08 0.00 -0.57 0.00 0.00 31.44 30.35 1v5n n GLU 37 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1v5n s HIS 38 N -5.61 1.78 -0.27 -0.32 3.76 0.19 -5.14 115.29 109.68 1v5n s HIS 38 Ca -0.09 -1.50 -0.05 0.00 -0.15 0.00 0.00 55.06 53.27 1v5n s HIS 38 Cb 0.13 -0.95 0.01 0.00 1.11 0.00 0.00 32.58 32.88 1v5n s HIS 38 CO 0.49 -0.59 0.02 -1.21 -0.85 0.00 0.00 174.74 172.61 1v5n s GLU 39 N -3.55 3.03 1.15 1.40 2.02 -1.26 -4.38 118.70 117.11 1v5n s GLU 39 Ca 0.30 -0.88 -0.17 0.00 0.02 0.00 0.00 54.97 54.24 1v5n s GLU 39 Cb 0.02 -3.22 0.17 0.00 0.10 0.00 0.00 34.13 31.20 1v5n s GLU 39 CO 0.21 -0.41 0.31 1.28 0.02 0.00 0.00 175.26 176.67 1v5n n LEU 40 N 4.79 -2.18 -3.75 1.80 7.99 -0.20 -4.55 117.00 120.91 1v5n n LEU 40 Ca -0.15 -0.19 -0.29 0.00 -0.01 0.00 0.00 56.01 55.37 1v5n n LEU 40 Cb 0.48 -1.03 -0.16 0.00 -0.11 0.00 0.00 43.42 42.61 1v5n n LEU 40 CO 0.30 -3.20 -0.36 -0.70 -1.51 0.00 0.00 177.39 171.92 1v5n s GLU 41 N -3.74 0.75 -1.00 3.23 2.12 -0.19 -2.37 118.70 117.50 1v5n s GLU 41 Ca 0.59 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 1v5n s GLU 41 Cb -0.15 -2.07 -0.22 0.00 0.26 0.00 0.00 34.13 31.94 1v5n s GLU 41 CO 0.65 -0.78 2.68 -0.11 -0.54 0.00 0.00 175.26 177.16 1v5n n LEU 42 N 4.95 0.23 -4.59 2.70 7.94 -0.84 -2.19 117.00 125.20 1v5n n LEU 42 Ca -0.07 0.15 -0.34 0.00 -1.11 0.00 0.00 56.01 54.65 1v5n n LEU 42 Cb 0.45 -0.91 -0.11 0.00 0.53 0.00 0.00 43.42 43.38 1v5n n LEU 42 CO 0.12 -0.75 -0.37 -0.89 -1.11 0.00 0.00 177.39 174.40 1v5n s THR 43 N 8.68 3.76 -0.12 1.96 2.01 0.32 -4.88 115.64 127.38 1v5n s THR 43 Ca 1.36 -0.46 -0.29 0.00 0.31 0.00 0.00 61.69 62.61 1v5n s THR 43 Cb -1.24 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 1v5n s THR 43 CO 0.49 0.60 1.71 -0.13 -0.69 0.00 0.00 174.62 176.61 1v5n s ARG 44 N -0.82 3.96 -0.03 4.92 1.81 -1.26 -2.16 118.95 125.37 1v5n s ARG 44 Ca 0.12 2.03 0.01 0.00 -1.72 0.00 0.00 55.73 56.17 1v5n s ARG 44 Cb -0.11 -4.05 0.02 0.00 -0.45 0.00 0.00 34.95 30.36 1v5n s ARG 44 CO 0.01 -1.12 -0.03 0.08 -0.68 0.00 0.00 175.30 173.57 1v5n s VAL 45 N 4.83 0.36 0.04 3.52 1.01 -1.26 -4.92 120.40 123.97 1v5n s VAL 45 Ca 0.76 -0.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.40 1v5n s VAL 45 Cb -0.31 -0.39 -0.17 0.00 0.00 0.00 0.00 36.38 35.51 1v5n s VAL 45 CO 0.31 0.16 1.42 -0.61 0.00 0.00 0.00 175.10 176.38 1v5n h GLN 46 N 6.89 -0.53 -2.98 2.72 5.75 -1.93 0.50 115.11 125.52 1v5n h GLN 46 Ca -0.37 0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.04 1v5n h GLN 46 Cb 1.16 0.12 -0.22 0.00 1.07 0.00 0.00 27.48 29.61 1v5n h GLN 46 CO 0.48 -0.26 -0.28 0.08 -2.65 0.00 0.00 178.83 176.20 1v5n s VAL 47 N -5.29 0.04 0.32 2.39 1.01 -1.26 -3.41 120.40 114.19 1v5n s VAL 47 Ca -0.15 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 1v5n s VAL 47 Cb 0.03 -0.58 0.05 0.00 0.00 0.00 0.00 36.38 35.88 1v5n s VAL 47 CO 0.58 -0.18 0.67 0.00 0.00 0.00 0.00 175.10 176.17 1v5n n TYR 48 N 1.79 -2.11 -3.96 5.22 4.11 -1.25 -5.00 117.16 115.95 1v5n n TYR 48 Ca -0.19 -1.54 -0.31 0.00 -0.00 0.00 0.00 57.90 55.87 1v5n n TYR 48 Cb 0.56 0.77 -0.15 0.00 -0.00 0.00 0.00 39.34 40.52 1v5n n TYR 48 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1v5n s THR 49 N -2.24 1.82 0.02 -3.48 2.01 -1.26 -3.43 115.64 109.08 1v5n s THR 49 Ca 0.14 -1.71 -0.30 0.00 0.31 0.00 0.00 61.69 60.13 1v5n s THR 49 Cb -0.04 -2.17 -0.08 0.00 0.01 0.00 0.00 72.50 70.21 1v5n s THR 49 CO 0.10 -0.33 1.95 0.00 -0.69 0.00 0.00 174.62 175.64 1v5n n ASP 51 N 7.62 3.71 0.04 0.00 2.03 -1.26 -2.08 116.55 126.60 1v5n n ASP 51 Ca 0.20 -2.59 0.00 0.00 0.52 0.00 0.00 54.79 52.92 1v5n n ASP 51 Cb 0.41 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 1v5n n ASP 51 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1v5n n LYS 52 N 0.07 0.00 -0.05 -0.67 4.81 -1.26 -4.84 118.16 116.21 1v5n n LYS 52 Ca 0.20 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.72 1v5n n LYS 52 Cb 0.84 -0.40 0.09 0.00 0.02 0.00 0.00 35.03 35.59 1v5n n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1v5n n GLU 54 N 0.82 -5.52 -3.07 0.00 -0.58 -0.89 -5.03 120.64 106.38 1v5n n GLU 54 Ca 0.10 0.67 -0.12 0.00 -0.42 0.00 0.00 57.16 57.39 1v5n n GLU 54 Cb 0.39 -5.18 -0.03 0.00 -0.57 0.00 0.00 31.44 26.05 1v5n n GLU 54 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1v5n n GLU 55 N -3.63 1.16 -3.86 3.49 -0.58 -1.21 -4.92 120.64 111.09 1v5n n GLU 55 Ca -0.17 -1.50 -0.26 0.00 -0.42 0.00 0.00 57.16 54.80 1v5n n GLU 55 Cb 0.61 0.59 -0.17 0.00 -0.57 0.00 0.00 31.44 31.91 1v5n n GLU 55 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1v5n s GLU 56 N -2.71 1.24 0.32 3.49 2.12 -1.26 0.89 118.70 122.79 1v5n s GLU 56 Ca 0.04 -0.19 -0.03 0.00 0.36 0.00 0.00 54.97 55.15 1v5n s GLU 56 Cb 0.00 -1.49 0.07 0.00 0.26 0.00 0.00 34.13 32.97 1v5n s GLU 56 CO 0.03 -0.31 0.44 0.41 -0.54 0.00 0.00 175.26 175.29 1v5n n GLY 57 N 4.99 -0.08 3.59 -1.50 0.00 -1.22 -4.90 105.19 106.07 1v5n n GLY 57 Ca -0.11 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 1v5n n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v5n s THR 58 N -1.47 0.00 -0.64 2.61 -4.23 -1.26 -3.83 115.64 106.82 1v5n s THR 58 Ca 0.27 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1v5n s THR 58 Cb -0.01 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.83 1v5n s THR 58 CO 0.18 0.00 0.00 -0.38 -0.54 0.00 0.00 174.62 173.88 1v5n n ILE 59 N 1.82 -0.16 -3.65 2.99 2.08 0.17 -4.80 119.36 117.82 1v5n n ILE 59 Ca -0.15 0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.18 1v5n n ILE 59 Cb 0.56 -0.79 -0.06 0.00 -0.75 0.00 0.00 39.64 38.60 1v5n n ILE 59 CO 0.00 0.00 0.00 0.26 0.56 0.00 0.00 176.55 177.37 1v5n s TRP 60 N -1.94 -0.07 -0.30 1.39 0.23 -1.12 -4.64 118.94 112.49 1v5n s TRP 60 Ca 0.00 0.14 -0.17 0.00 -2.03 0.00 0.00 56.10 54.03 1v5n s TRP 60 Cb 0.00 0.10 0.18 0.00 0.03 0.00 0.00 33.47 33.78 1v5n s TRP 60 CO 0.00 -0.03 1.15 0.45 0.96 0.00 0.00 176.95 179.47 1v5n s SER 61 N 0.90 -0.30 -0.67 2.95 0.15 -0.92 -4.69 113.70 111.13 1v5n s SER 61 Ca -0.06 0.42 -0.26 0.00 0.70 0.00 0.00 55.95 56.75 1v5n s SER 61 Cb -0.03 1.33 -0.02 0.00 -1.71 0.00 0.00 66.02 65.59 1v5n s SER 61 CO -0.11 -0.06 1.84 -0.31 1.20 0.00 0.00 173.24 175.80 1v5n s TYR 62 N 2.15 1.72 -0.07 3.44 2.02 -0.94 -0.52 117.35 125.16 1v5n s TYR 62 Ca -0.02 0.70 -0.04 0.00 -0.37 0.00 0.00 57.07 57.35 1v5n s TYR 62 Cb -0.03 -4.12 -0.04 0.00 -0.40 0.00 0.00 41.96 37.37 1v5n s TYR 62 CO -0.16 -2.21 0.12 -1.58 -1.57 0.00 0.00 175.55 170.14 1v5n s HIS 63 N 9.00 3.47 -0.21 2.71 5.65 -0.93 -2.43 115.29 132.55 1v5n s HIS 63 Ca 0.66 0.39 -0.04 0.00 0.25 0.00 0.00 55.06 56.32 1v5n s HIS 63 Cb -0.11 -1.86 -0.01 0.00 -1.18 0.00 0.00 32.58 29.42 1v5n s HIS 63 CO 0.17 0.65 -0.05 0.00 -0.65 0.00 0.00 174.74 174.86 1v5n n ASP 65 N 4.71 2.70 0.00 0.00 2.03 -1.26 -0.62 116.55 124.11 1v5n n ASP 65 Ca -0.18 -1.74 0.00 0.00 0.52 0.00 0.00 54.79 53.39 1v5n n ASP 65 Cb 0.51 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 1v5n n ASP 65 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1v5n n GLU 66 N 0.64 0.53 -0.57 -0.67 4.07 -1.26 -4.88 120.64 118.51 1v5n n GLU 66 Ca 0.00 0.00 0.03 0.00 -0.06 0.00 0.00 57.16 57.13 1v5n n GLU 66 Cb 0.43 -0.63 0.04 0.00 -0.06 0.00 0.00 31.44 31.22 1v5n n GLU 66 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1v5n n ASP 68 N -0.27 -0.03 -4.69 0.00 8.00 0.21 -4.86 116.55 114.93 1v5n n ASP 68 Ca 0.05 -0.98 -0.38 0.00 0.71 0.00 0.00 54.79 54.20 1v5n n ASP 68 Cb 0.75 -1.23 -0.07 0.00 -0.02 0.00 0.00 41.12 40.55 1v5n n ASP 68 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1v5n s PHE 69 N -3.60 3.40 0.10 1.24 5.36 -1.25 -4.82 117.98 118.42 1v5n s PHE 69 Ca 0.23 0.61 0.07 0.00 -0.96 0.00 0.00 56.93 56.88 1v5n s PHE 69 Cb -0.13 -2.47 -0.04 0.00 -0.34 0.00 0.00 43.02 40.03 1v5n s PHE 69 CO 0.78 0.07 -0.10 -0.51 -1.46 0.00 0.00 175.22 174.00 1v5n s ASP 70 N 0.88 4.40 0.35 6.13 1.01 -1.24 -1.76 116.67 126.44 1v5n s ASP 70 Ca 0.18 -0.38 -0.08 0.00 0.71 0.00 0.00 52.55 52.98 1v5n s ASP 70 Cb -0.14 -0.84 0.02 0.00 1.01 0.00 0.00 42.92 42.96 1v5n s ASP 70 CO 0.07 0.18 0.60 -0.76 0.21 0.00 0.00 175.17 175.47 1v5n s LEU 71 N -2.19 0.57 0.16 1.23 1.43 -1.02 -4.05 118.68 114.81 1v5n s LEU 71 Ca 0.21 -1.30 -0.06 0.00 -1.03 0.00 0.00 54.13 51.95 1v5n s LEU 71 Cb -0.11 2.02 -0.06 0.00 0.03 0.00 0.00 46.19 48.07 1v5n s LEU 71 CO 0.14 -1.43 0.42 -1.00 0.23 0.00 0.00 176.35 174.71 1v5n s HIS 72 N -2.87 3.47 0.22 0.29 3.76 -1.26 -2.21 115.29 116.68 1v5n s HIS 72 Ca 0.24 0.66 -0.08 0.00 -0.15 0.00 0.00 55.06 55.72 1v5n s HIS 72 Cb -0.02 -2.08 0.25 0.00 1.11 0.00 0.00 32.58 31.84 1v5n s HIS 72 CO 0.16 0.39 1.84 0.00 -0.85 0.00 0.00 174.74 176.28 1v5n h ALA 73 N 2.80 1.00 0.03 -1.40 0.00 -1.97 0.22 119.26 119.95 1v5n h ALA 73 Ca -0.46 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.17 1v5n h ALA 73 Cb 1.17 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.78 1v5n h ALA 73 CO 0.71 0.20 -1.10 1.57 0.00 0.00 0.00 179.25 180.64 1v5n h LYS 74 N 0.86 0.65 -0.38 0.00 2.10 -1.94 -2.64 116.57 115.21 1v5n h LYS 74 Ca 0.32 -0.75 0.02 0.00 -2.00 0.00 0.00 60.65 58.24 1v5n h LYS 74 Cb 0.11 0.22 -0.03 0.00 -0.90 0.00 0.00 32.23 31.64 1v5n h LYS 74 CO -0.15 1.32 0.22 0.00 -2.00 0.00 0.00 179.45 178.84 1v5n h ALA 76 N 1.17 0.32 0.48 0.00 0.00 -1.04 -3.33 119.26 116.87 1v5n h ALA 76 Ca 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1v5n h ALA 76 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1v5n h ALA 76 CO -0.08 0.05 -0.23 -0.07 0.00 0.00 0.00 179.25 178.92 1v5n h LEU 77 N 0.20 -0.55 -9.47 0.00 3.38 -1.24 -3.46 115.31 104.17 1v5n h LEU 77 Ca 0.07 0.02 -0.59 0.00 0.09 0.00 0.00 57.88 57.47 1v5n h LEU 77 Cb 0.41 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.18 1v5n h LEU 77 CO 0.01 -0.27 -0.67 0.54 0.09 0.00 0.00 178.44 178.15 1v5n s ASN 78 N -3.93 4.05 -0.06 -0.43 4.22 0.23 -5.06 114.94 113.95 1v5n s ASN 78 Ca -0.09 -0.95 -0.01 0.00 -2.14 0.00 0.00 52.86 49.66 1v5n s ASN 78 Cb 0.01 -0.52 -0.03 0.00 1.28 0.00 0.00 41.25 41.99 1v5n s ASN 78 CO 0.28 -0.11 -0.06 1.21 -2.04 0.00 0.00 177.10 176.38 1v5n n GLU 79 N -0.84 0.13 -1.83 3.55 2.13 -1.26 -3.68 120.64 118.84 1v5n n GLU 79 Ca -0.05 0.04 -0.42 0.00 0.66 0.00 0.00 57.16 57.39 1v5n n GLU 79 Cb 0.61 -0.89 -0.03 0.00 0.27 0.00 0.00 31.44 31.40 1v5n n GLU 79 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1v5n s ASP 80 N -5.08 6.55 0.00 4.31 -1.08 -1.26 -4.80 116.67 115.31 1v5n s ASP 80 Ca -0.08 2.47 0.00 0.00 -0.52 0.00 0.00 52.55 54.42 1v5n s ASP 80 Cb 0.03 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 1v5n s ASP 80 CO 0.12 -0.99 0.12 1.07 0.52 0.00 0.00 175.17 176.00 1v5n n THR 81 N 5.51 0.00 -4.44 1.71 5.66 -1.26 -5.08 114.28 116.38 1v5n n THR 81 Ca 0.19 -0.19 -0.25 0.00 -3.05 0.00 0.00 64.05 60.74 1v5n n THR 81 Cb 0.42 1.37 -0.11 0.00 -1.55 0.00 0.00 70.33 70.46 1v5n n THR 81 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1v5n s LYS 82 N -0.15 1.59 0.47 1.09 2.47 -1.26 -5.13 119.74 118.82 1v5n s LYS 82 Ca 0.00 -1.65 -0.22 0.00 -1.56 0.00 0.00 55.97 52.55 1v5n s LYS 82 Cb 0.00 -1.77 -0.08 0.00 -1.46 0.00 0.00 37.83 34.52 1v5n s LYS 82 CO 0.00 0.35 1.10 -1.83 0.16 0.00 0.00 175.35 175.13 1v5n s GLU 83 N -3.12 3.76 -0.47 4.03 -1.05 -1.26 -4.89 118.70 115.69 1v5n s GLU 83 Ca 0.25 1.57 -0.26 0.00 -0.15 0.00 0.00 54.97 56.38 1v5n s GLU 83 Cb -0.06 -2.26 -0.07 0.00 -0.44 0.00 0.00 34.13 31.30 1v5n s GLU 83 CO 0.12 -0.51 2.40 0.43 0.95 0.00 0.00 175.26 178.66 1v5n n SER 84 N -0.71 2.36 -0.84 0.83 7.64 -1.26 -4.72 113.62 116.92 1v5n n SER 84 Ca 0.08 -0.40 0.11 0.00 1.01 0.00 0.00 58.87 59.67 1v5n n SER 84 Cb 0.50 -1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.11 1v5n n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v5n n GLY 85 N 6.00 -1.09 0.16 0.23 0.00 -1.26 -4.15 105.19 105.08 1v5n n GLY 85 Ca 0.37 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1v5n n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v5n h PRO 86 N -0.79 0.02 -5.75 1.61 0.13 -2.04 -3.43 132.00 121.75 1v5n h PRO 86 Ca 0.01 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 1v5n h PRO 86 Cb 1.19 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.00 1v5n h PRO 86 CO 0.01 0.50 -0.88 -1.54 -0.23 0.00 0.00 178.00 175.85 1v5n s SER 87 N -6.89 3.04 0.06 1.44 1.04 -1.26 -5.13 113.70 106.00 1v5n s SER 87 Ca -0.02 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.91 1v5n s SER 87 Cb 0.14 -1.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.19 1v5n s SER 87 CO 0.75 0.21 -0.09 -0.44 0.98 0.00 0.00 173.24 174.65 1v5n s SER 88 N 0.02 1.07 0.00 7.02 0.01 -1.26 -4.95 113.70 115.61 1v5n s SER 88 Ca -0.09 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.51 1v5n s SER 88 Cb -0.15 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.11 1v5n s SER 88 CO 0.05 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.08