#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyv s GLU 2 N 0.00 3.46 0.54 4.33 8.01 -1.23 -4.89 118.70 128.92 1iyv s GLU 2 Ca 0.00 -0.37 -0.09 0.00 0.01 0.00 0.00 54.97 54.52 1iyv s GLU 2 Cb 0.00 -3.03 -0.04 0.00 -4.31 0.00 0.00 34.13 26.75 1iyv s GLU 2 CO 0.00 0.61 0.91 -1.50 0.01 0.00 0.00 175.26 175.28 1iyv s ILE 3 N -1.49 4.79 -0.19 -1.63 2.07 -1.26 -3.43 121.20 120.06 1iyv s ILE 3 Ca 0.34 0.61 -0.01 0.00 -1.41 0.00 0.00 60.65 60.17 1iyv s ILE 3 Cb -0.13 -3.85 0.05 0.00 0.13 0.00 0.00 42.46 38.67 1iyv s ILE 3 CO 0.26 -0.94 -0.01 -0.63 -1.91 0.00 0.00 174.94 171.71 1iyv s ILE 4 N -2.89 0.90 0.61 2.00 1.09 -0.47 -5.00 121.20 117.44 1iyv s ILE 4 Ca 0.52 -0.71 -0.02 0.00 -1.10 0.00 0.00 60.65 59.34 1iyv s ILE 4 Cb -0.11 -1.26 0.05 0.00 -1.06 0.00 0.00 42.46 40.08 1iyv s ILE 4 CO 0.47 -0.09 0.87 0.00 -0.10 0.00 0.00 174.94 176.09 1iyv s ARG 5 N 1.70 2.40 0.31 2.79 1.70 -1.26 -1.63 118.95 124.95 1iyv s ARG 5 Ca -0.02 -0.60 -0.26 0.00 -0.47 0.00 0.00 55.73 54.39 1iyv s ARG 5 Cb -0.17 -2.37 -0.15 0.00 -0.57 0.00 0.00 34.95 31.69 1iyv s ARG 5 CO -0.07 -0.92 0.60 0.28 -1.08 0.00 0.00 175.30 174.10 1iyv n VAL 6 N -2.56 1.78 -1.78 4.99 0.31 -0.69 -4.78 118.33 115.59 1iyv n VAL 6 Ca 0.08 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.62 1iyv n VAL 6 Cb 0.60 -0.40 0.12 0.00 -0.91 0.00 0.00 33.84 33.26 1iyv n VAL 6 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1iyv s PRO 7 N -1.30 1.42 -0.72 5.55 0.04 -1.26 -4.46 135.00 134.28 1iyv s PRO 7 Ca 0.62 0.07 -0.24 0.00 0.04 0.00 0.00 61.00 61.49 1iyv s PRO 7 Cb -0.75 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 31.96 1iyv s PRO 7 CO 0.58 -1.96 1.11 0.34 0.04 0.00 0.00 177.00 177.11 1iyv s ASP 8 N -4.45 6.20 -0.00 6.66 2.15 -1.26 -4.78 116.67 121.19 1iyv s ASP 8 Ca 0.65 -0.86 0.18 0.00 0.43 0.00 0.00 52.55 52.95 1iyv s ASP 8 Cb -0.11 -2.47 -0.21 0.00 -0.30 0.00 0.00 42.92 39.82 1iyv s ASP 8 CO 0.51 -1.57 0.74 2.30 -0.17 0.00 0.00 175.17 176.98 1iyv n ILE 9 N 6.11 0.00 0.00 4.11 -5.35 -1.26 -4.96 119.36 118.01 1iyv n ILE 9 Ca 0.01 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1iyv n ILE 9 Cb 0.47 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 1iyv n ILE 9 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1iyv n GLY 10 N 1.43 0.84 0.00 3.28 0.00 -1.26 -4.98 105.19 104.51 1iyv n GLY 10 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1iyv n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iyv n GLY 11 N -2.00 2.99 3.80 -0.02 0.00 -1.26 -5.14 105.19 103.55 1iyv n GLY 11 Ca 0.00 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 1iyv n GLY 11 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1iyv s ASP 12 N 1.56 7.22 0.12 1.61 -4.77 -1.26 -4.39 116.67 116.76 1iyv s ASP 12 Ca 0.00 1.59 0.09 0.00 -3.30 0.00 0.00 52.55 50.93 1iyv s ASP 12 Cb 0.00 -2.48 -0.04 0.00 -1.09 0.00 0.00 42.92 39.31 1iyv s ASP 12 CO 0.00 0.05 -0.17 -0.83 0.70 0.00 0.00 175.17 174.92 1iyv s GLY 13 N -1.51 1.71 -0.12 2.12 0.00 -1.14 -4.96 107.32 103.41 1iyv s GLY 13 Ca 0.43 -1.34 -0.00 0.00 0.00 0.00 0.00 44.72 43.80 1iyv s GLY 13 CO 0.23 -1.32 -0.07 -0.54 0.00 0.00 0.00 173.10 171.39 1iyv s GLU 14 N -2.18 1.51 0.62 2.90 2.02 -1.25 -2.42 118.70 119.91 1iyv s GLU 14 Ca 0.19 -0.30 -0.17 0.00 0.02 0.00 0.00 54.97 54.70 1iyv s GLU 14 Cb -0.11 -1.66 -0.02 0.00 0.10 0.00 0.00 34.13 32.44 1iyv s GLU 14 CO 0.11 -0.30 1.16 0.08 0.02 0.00 0.00 175.26 176.33 1iyv s VAL 15 N 1.70 2.91 0.00 2.63 1.01 -0.32 -2.18 120.40 126.14 1iyv s VAL 15 Ca 0.04 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1iyv s VAL 15 Cb -0.13 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1iyv s VAL 15 CO -0.08 -0.19 0.00 -0.38 0.00 0.00 0.00 175.10 174.45 1iyv n ILE 16 N -1.95 0.00 -3.65 2.22 2.08 -0.60 -2.16 119.36 115.30 1iyv n ILE 16 Ca 0.12 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.39 1iyv n ILE 16 Cb 0.51 -0.79 -0.07 0.00 -0.75 0.00 0.00 39.64 38.54 1iyv n ILE 16 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1iyv s GLU 17 N -2.00 0.18 -0.09 0.38 -1.05 -1.26 -3.32 118.70 111.55 1iyv s GLU 17 Ca 0.00 0.24 -0.04 0.00 -0.15 0.00 0.00 54.97 55.01 1iyv s GLU 17 Cb 0.00 0.08 -0.04 0.00 -0.44 0.00 0.00 34.13 33.73 1iyv s GLU 17 CO 0.00 -0.03 0.08 -0.48 0.95 0.00 0.00 175.26 175.79 1iyv s LEU 18 N 0.31 4.04 -0.43 1.83 2.34 -1.26 -3.13 118.68 122.38 1iyv s LEU 18 Ca 0.03 0.32 0.04 0.00 0.06 0.00 0.00 54.13 54.58 1iyv s LEU 18 Cb -0.05 -2.01 0.51 0.00 -0.56 0.00 0.00 46.19 44.09 1iyv s LEU 18 CO -0.13 0.38 1.65 0.00 -1.06 0.00 0.00 176.35 177.20 1iyv n LEU 19 N 1.95 5.82 0.00 1.48 -0.00 -1.20 -4.98 117.00 120.07 1iyv n LEU 19 Ca -0.19 -4.13 -0.17 0.00 -0.00 0.00 0.00 56.01 51.52 1iyv n LEU 19 Cb 0.54 -0.71 -0.06 0.00 -0.00 0.00 0.00 43.42 43.20 1iyv n LEU 19 CO 0.31 1.48 0.03 1.33 -0.00 0.00 0.00 177.39 180.54 1iyv n VAL 20 N -0.98 0.00 -4.15 1.47 0.24 -1.26 -5.03 118.33 108.62 1iyv n VAL 20 Ca 0.49 -2.13 -0.17 0.00 -2.04 0.00 0.00 64.34 60.50 1iyv n VAL 20 Cb 1.02 1.16 -0.05 0.00 -1.47 0.00 0.00 33.84 34.50 1iyv n VAL 20 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1iyv n LYS 21 N -0.61 0.59 -2.70 7.34 4.76 -1.26 -5.09 118.16 121.19 1iyv n LYS 21 Ca 0.04 -3.01 -0.42 0.00 -2.87 0.00 0.00 58.31 52.05 1iyv n LYS 21 Cb 0.60 2.72 -0.03 0.00 -1.84 0.00 0.00 35.03 36.48 1iyv n LYS 21 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1iyv s THR 22 N -3.02 4.85 0.00 -0.18 -1.32 -1.26 -3.11 115.64 111.59 1iyv s THR 22 Ca 0.33 2.05 0.00 0.00 -1.21 0.00 0.00 61.69 62.86 1iyv s THR 22 Cb 0.00 -4.31 0.00 0.00 -1.51 0.00 0.00 72.50 66.68 1iyv s THR 22 CO 0.24 0.15 0.00 0.61 -2.21 0.00 0.00 174.62 173.40 1iyv n GLY 23 N 2.92 0.59 3.73 6.08 0.00 -1.06 -4.95 105.19 112.49 1iyv n GLY 23 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1iyv n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iyv s ASP 24 N -2.99 7.38 -0.49 1.61 1.11 -1.18 -4.65 116.67 117.46 1iyv s ASP 24 Ca 0.00 1.66 -0.22 0.00 0.18 0.00 0.00 52.55 54.17 1iyv s ASP 24 Cb 0.00 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.48 1iyv s ASP 24 CO 0.00 -0.10 0.77 -0.22 1.18 0.00 0.00 175.17 176.80 1iyv s LEU 25 N 0.26 4.42 0.00 1.23 0.20 -1.26 -2.01 118.68 121.53 1iyv s LEU 25 Ca 0.46 -0.40 -0.00 0.00 0.69 0.00 0.00 54.13 54.88 1iyv s LEU 25 Cb -0.22 -2.77 0.02 0.00 -0.43 0.00 0.00 46.19 42.80 1iyv s LEU 25 CO 0.27 -0.97 0.15 -0.38 -0.29 0.00 0.00 176.35 175.13 1iyv n ILE 26 N 5.98 0.00 -4.10 6.68 5.41 -0.10 -4.93 119.36 128.31 1iyv n ILE 26 Ca -0.01 -0.23 -0.14 0.00 1.00 0.00 0.00 62.75 63.38 1iyv n ILE 26 Cb 0.47 -1.33 -0.05 0.00 -0.71 0.00 0.00 39.64 38.02 1iyv n ILE 26 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1iyv s GLU 27 N -2.81 1.80 -1.37 0.38 -6.30 -1.26 -3.55 118.70 105.59 1iyv s GLU 27 Ca 0.10 -1.70 -0.15 0.00 -2.50 0.00 0.00 54.97 50.71 1iyv s GLU 27 Cb -0.01 0.42 0.07 0.00 0.00 0.00 0.00 34.13 34.62 1iyv s GLU 27 CO 0.07 -0.73 1.98 1.55 0.02 0.00 0.00 175.26 178.14 1iyv n VAL 28 N -0.52 3.75 0.00 3.70 3.14 -1.26 -3.24 118.33 123.90 1iyv n VAL 28 Ca 0.01 -3.62 0.00 0.00 -2.96 0.00 0.00 64.34 57.77 1iyv n VAL 28 Cb 0.62 -2.49 0.00 0.00 -1.06 0.00 0.00 33.84 30.91 1iyv n VAL 28 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1iyv n GLU 29 N 6.79 0.00 -2.39 1.45 1.02 -1.26 -5.07 120.64 121.18 1iyv n GLU 29 Ca 0.49 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 57.22 1iyv n GLU 29 Cb 0.42 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.80 1iyv n GLU 29 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1iyv s GLN 30 N 0.00 4.52 1.36 3.49 0.74 -1.20 -4.90 119.66 123.67 1iyv s GLN 30 Ca 0.00 1.86 -0.20 0.00 0.05 0.00 0.00 55.36 57.07 1iyv s GLN 30 Cb 0.00 -3.23 0.34 0.00 1.10 0.00 0.00 33.01 31.22 1iyv s GLN 30 CO 0.00 -0.03 0.87 0.41 -0.55 0.00 0.00 175.29 175.99 1iyv n GLY 31 N 1.98 -3.24 1.86 2.59 0.00 -1.26 -1.91 105.19 105.21 1iyv n GLY 31 Ca 0.03 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1iyv n GLY 31 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1iyv n LEU 32 N -5.26 -0.00 -4.27 0.99 0.00 0.29 -4.22 117.00 104.53 1iyv n LEU 32 Ca 0.09 0.32 -0.15 0.00 0.00 0.00 0.00 56.01 56.27 1iyv n LEU 32 Cb 0.57 0.23 -0.10 0.00 0.00 0.00 0.00 43.42 44.12 1iyv n LEU 32 CO 0.46 -0.71 -0.22 0.68 0.00 0.00 0.00 177.39 177.60 1iyv s VAL 33 N -1.71 0.21 -0.27 1.96 -7.23 -0.75 -3.24 120.40 109.37 1iyv s VAL 33 Ca 0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1iyv s VAL 33 Cb 0.00 -2.53 0.08 0.00 0.56 0.00 0.00 36.38 34.48 1iyv s VAL 33 CO 0.00 0.00 -0.00 -0.69 -0.31 0.00 0.00 175.10 174.10 1iyv s VAL 34 N -3.86 1.56 0.16 1.32 1.01 -1.18 -1.65 120.40 117.76 1iyv s VAL 34 Ca 0.38 -1.49 -0.00 0.00 0.00 0.00 0.00 61.98 60.86 1iyv s VAL 34 Cb 0.06 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1iyv s VAL 34 CO 0.15 -0.32 0.34 -0.76 0.00 0.00 0.00 175.10 174.51 1iyv s LEU 35 N 1.33 4.28 0.12 3.92 1.02 -1.19 -1.56 118.68 126.60 1iyv s LEU 35 Ca 0.01 0.34 0.09 0.00 0.02 0.00 0.00 54.13 54.59 1iyv s LEU 35 Cb -0.19 -3.09 -0.04 0.00 0.02 0.00 0.00 46.19 42.90 1iyv s LEU 35 CO -0.10 0.02 -0.19 -0.70 0.02 0.00 0.00 176.35 175.39 1iyv s GLU 36 N -3.13 1.72 0.44 1.70 2.12 -0.93 -3.07 118.70 117.55 1iyv s GLU 36 Ca 0.37 -1.21 0.03 0.00 0.36 0.00 0.00 54.97 54.53 1iyv s GLU 36 Cb -0.11 -2.08 -0.02 0.00 0.26 0.00 0.00 34.13 32.17 1iyv s GLU 36 CO 0.28 0.48 0.09 -1.12 -0.54 0.00 0.00 175.26 174.45 1iyv s SER 37 N -2.13 3.24 0.29 -1.70 0.01 -1.23 -3.90 113.70 108.28 1iyv s SER 37 Ca 0.17 -1.66 0.03 0.00 1.31 0.00 0.00 55.95 55.80 1iyv s SER 37 Cb -0.10 0.49 0.66 0.00 0.21 0.00 0.00 66.02 67.28 1iyv s SER 37 CO 0.09 -0.90 1.76 0.00 0.41 0.00 0.00 173.24 174.60 1iyv h ALA 38 N 1.65 1.49 -0.03 1.44 0.00 -2.01 -3.33 119.26 118.47 1iyv h ALA 38 Ca -0.38 0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 1iyv h ALA 38 Cb 1.29 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.89 1iyv h ALA 38 CO 0.63 -0.12 -0.36 0.36 0.00 0.00 0.00 179.25 179.76 1iyv n LYS 39 N -4.85 0.99 -3.25 0.00 2.85 -1.26 -5.05 118.16 107.59 1iyv n LYS 39 Ca 0.21 -1.34 -0.10 0.00 -1.05 0.00 0.00 58.31 56.02 1iyv n LYS 39 Cb 0.54 0.29 -0.05 0.00 -0.65 0.00 0.00 35.03 35.16 1iyv n LYS 39 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iyv s ALA 40 N -0.19 -1.12 -0.08 0.58 0.00 -1.25 -5.12 121.76 114.57 1iyv s ALA 40 Ca 0.09 -0.64 -0.26 0.00 0.00 0.00 0.00 51.96 51.14 1iyv s ALA 40 Cb 0.32 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 1iyv s ALA 40 CO -0.09 -2.17 0.85 0.45 0.00 0.00 0.00 175.76 174.79 1iyv s SER 41 N 1.40 7.11 -0.11 0.00 0.15 -1.26 -3.47 113.70 117.52 1iyv s SER 41 Ca 0.19 1.35 -0.08 0.00 0.70 0.00 0.00 55.95 58.11 1iyv s SER 41 Cb -0.09 -2.48 0.03 0.00 -1.71 0.00 0.00 66.02 61.77 1iyv s SER 41 CO -0.05 -0.28 0.27 -0.04 1.20 0.00 0.00 173.24 174.34 1iyv s MET 42 N 1.39 0.29 0.56 5.44 -1.94 -1.18 -5.01 119.30 118.85 1iyv s MET 42 Ca 0.43 0.44 0.01 0.00 -1.71 0.00 0.00 55.69 54.86 1iyv s MET 42 Cb -0.18 0.06 0.03 0.00 2.01 0.00 0.00 34.83 36.75 1iyv s MET 42 CO 0.19 -0.08 0.78 -1.83 -0.01 0.00 0.00 175.02 174.07 1iyv s GLU 43 N 0.55 2.53 -0.04 2.03 -1.05 -1.26 -3.19 118.70 118.26 1iyv s GLU 43 Ca -0.03 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 1iyv s GLU 43 Cb -0.05 -2.48 0.02 0.00 -0.44 0.00 0.00 34.13 31.19 1iyv s GLU 43 CO -0.03 -0.73 -0.02 0.08 0.95 0.00 0.00 175.26 175.51 1iyv s VAL 44 N -2.78 0.37 0.00 1.83 1.01 -0.66 -4.95 120.40 115.22 1iyv s VAL 44 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1iyv s VAL 44 Cb -0.10 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.83 1iyv s VAL 44 CO 0.39 0.20 0.00 -0.81 0.00 0.00 0.00 175.10 174.88 1iyv n PRO 45 N 4.29 0.05 -3.01 2.72 -0.04 -1.26 0.11 135.00 137.86 1iyv n PRO 45 Ca -0.22 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.84 1iyv n PRO 45 Cb 0.50 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.91 1iyv n PRO 45 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1iyv s SER 46 N -1.08 7.22 0.00 3.54 0.15 -0.80 -4.38 113.70 118.35 1iyv s SER 46 Ca 0.00 1.46 0.29 0.00 0.70 0.00 0.00 55.95 58.39 1iyv s SER 46 Cb 0.00 -2.46 1.61 0.00 -1.71 0.00 0.00 66.02 63.46 1iyv s SER 46 CO 0.00 0.07 2.04 -0.81 1.20 0.00 0.00 173.24 175.74 1iyv n PRO 47 N 2.51 0.70 -3.62 5.44 -0.04 -1.26 -4.59 135.00 134.13 1iyv n PRO 47 Ca -0.04 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.29 1iyv n PRO 47 Cb 0.50 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 1iyv n PRO 47 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1iyv s LYS 48 N -2.24 0.85 -0.81 0.54 -0.14 -1.26 -5.07 119.74 111.62 1iyv s LYS 48 Ca 0.37 0.96 -0.23 0.00 -1.36 0.00 0.00 55.97 55.71 1iyv s LYS 48 Cb 0.20 0.41 0.07 0.00 -1.68 0.00 0.00 37.83 36.83 1iyv s LYS 48 CO 0.38 -0.11 1.18 0.00 -0.76 0.00 0.00 175.35 176.03 1iyv s ALA 49 N 0.30 2.99 0.00 5.17 0.00 -1.26 -4.56 121.76 124.39 1iyv s ALA 49 Ca -0.01 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 49.96 1iyv s ALA 49 Cb -0.05 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.94 1iyv s ALA 49 CO 0.01 -3.12 0.00 0.41 0.00 0.00 0.00 175.76 173.06 1iyv n GLY 50 N 5.70 3.19 3.58 0.00 0.00 -1.23 -4.88 105.19 111.54 1iyv n GLY 50 Ca 0.11 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 1iyv n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iyv s VAL 51 N -1.59 3.65 0.42 1.61 0.11 -1.26 -0.92 120.40 122.42 1iyv s VAL 51 Ca 0.00 -0.61 -0.26 0.00 -2.93 0.00 0.00 61.98 58.19 1iyv s VAL 51 Cb 0.00 -2.52 -0.09 0.00 -1.53 0.00 0.00 36.38 32.24 1iyv s VAL 51 CO 0.00 0.52 1.35 -0.69 -3.33 0.00 0.00 175.10 172.95 1iyv s VAL 52 N -0.88 2.42 -0.13 2.04 1.01 -0.85 -1.80 120.40 122.21 1iyv s VAL 52 Ca 0.14 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.39 1iyv s VAL 52 Cb -0.11 -3.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.99 1iyv s VAL 52 CO 0.04 0.06 -0.23 1.17 0.00 0.00 0.00 175.10 176.13 1iyv n LYS 53 N 0.04 0.37 -3.64 2.72 3.00 -0.58 -2.58 118.16 117.49 1iyv n LYS 53 Ca 0.04 0.15 -0.13 0.00 -0.00 0.00 0.00 58.31 58.37 1iyv n LYS 53 Cb 0.43 -1.13 -0.13 0.00 0.00 0.00 0.00 35.03 34.20 1iyv n LYS 53 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1iyv s SER 54 N -6.27 0.38 -0.54 3.14 0.01 -1.26 -4.83 113.70 104.33 1iyv s SER 54 Ca -0.22 0.55 -0.25 0.00 1.31 0.00 0.00 55.95 57.34 1iyv s SER 54 Cb 0.06 0.74 0.04 0.00 0.21 0.00 0.00 66.02 67.07 1iyv s SER 54 CO 0.30 -0.25 0.99 -0.69 0.41 0.00 0.00 173.24 174.00 1iyv s VAL 55 N 2.43 4.34 -2.04 3.43 1.01 -1.26 -3.72 120.40 124.59 1iyv s VAL 55 Ca 0.02 0.50 0.13 0.00 0.00 0.00 0.00 61.98 62.62 1iyv s VAL 55 Cb -0.12 -4.55 0.35 0.00 0.00 0.00 0.00 36.38 32.05 1iyv s VAL 55 CO -0.09 -1.10 1.32 -1.54 0.00 0.00 0.00 175.10 173.68 1iyv n SER 56 N 7.59 1.99 -4.36 3.32 3.41 -0.26 -4.87 113.62 120.44 1iyv n SER 56 Ca 0.04 -1.96 -0.21 0.00 -0.26 0.00 0.00 58.87 56.48 1iyv n SER 56 Cb 0.48 -0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 64.09 1iyv n SER 56 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1iyv s VAL 57 N -1.53 1.90 0.12 -3.33 -7.23 -1.21 -4.89 120.40 104.23 1iyv s VAL 57 Ca 0.26 -2.14 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1iyv s VAL 57 Cb 0.14 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 1iyv s VAL 57 CO 0.19 -0.46 0.09 1.17 -0.31 0.00 0.00 175.10 175.77 1iyv n LYS 58 N -0.18 0.32 -3.00 4.82 3.00 -1.26 -5.07 118.16 116.80 1iyv n LYS 58 Ca -0.09 -1.18 -0.40 0.00 -0.00 0.00 0.00 58.31 56.64 1iyv n LYS 58 Cb 0.59 0.87 -0.05 0.00 0.00 0.00 0.00 35.03 36.44 1iyv n LYS 58 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1iyv s LEU 59 N 0.00 4.44 0.00 3.14 0.05 -1.26 -3.40 118.68 121.65 1iyv s LEU 59 Ca 0.12 1.42 0.00 0.00 0.05 0.00 0.00 54.13 55.72 1iyv s LEU 59 Cb 0.01 -3.21 0.00 0.00 -2.05 0.00 0.00 46.19 40.94 1iyv s LEU 59 CO 0.09 0.01 0.00 0.61 -0.55 0.00 0.00 176.35 176.51 1iyv n GLY 60 N 2.43 0.47 3.82 -3.48 0.00 -0.92 -4.90 105.19 102.60 1iyv n GLY 60 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1iyv n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iyv s ASP 61 N -2.08 7.05 -0.14 1.61 1.11 -1.22 -4.86 116.67 118.13 1iyv s ASP 61 Ca 0.00 1.46 -0.04 0.00 0.18 0.00 0.00 52.55 54.15 1iyv s ASP 61 Cb 0.00 -2.43 -0.03 0.00 1.07 0.00 0.00 42.92 41.52 1iyv s ASP 61 CO 0.00 -0.03 -0.01 -0.54 1.18 0.00 0.00 175.17 175.78 1iyv s LYS 62 N -2.17 3.56 -0.02 8.23 3.01 -1.26 -1.17 119.74 129.92 1iyv s LYS 62 Ca 0.46 -0.46 0.00 0.00 -1.01 0.00 0.00 55.97 54.97 1iyv s LYS 62 Cb -0.16 -2.95 0.03 0.00 -1.01 0.00 0.00 37.83 33.75 1iyv s LYS 62 CO 0.21 0.37 0.02 -0.51 0.51 0.00 0.00 175.35 175.94 1iyv s LEU 63 N 0.05 1.10 0.10 3.17 1.43 -1.02 -5.00 118.68 118.52 1iyv s LEU 63 Ca 0.02 0.03 -0.10 0.00 -1.03 0.00 0.00 54.13 53.05 1iyv s LEU 63 Cb -0.13 -0.10 -0.06 0.00 0.03 0.00 0.00 46.19 45.93 1iyv s LEU 63 CO 0.02 -0.12 0.42 -0.75 0.23 0.00 0.00 176.35 176.15 1iyv s LYS 64 N 1.05 3.77 -0.23 1.70 2.20 -1.26 -2.90 119.74 124.07 1iyv s LYS 64 Ca -0.09 0.18 -0.42 0.00 -0.36 0.00 0.00 55.97 55.28 1iyv s LYS 64 Cb -0.13 -2.96 -0.19 0.00 -1.51 0.00 0.00 37.83 33.04 1iyv s LYS 64 CO -0.03 0.53 1.44 -1.91 -0.36 0.00 0.00 175.35 175.03 1iyv n GLU 65 N 0.78 0.41 0.00 4.03 2.13 -1.26 -1.76 120.64 124.97 1iyv n GLU 65 Ca -0.07 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1iyv n GLU 65 Cb 0.52 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.52 1iyv n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1iyv n GLY 66 N 3.13 1.11 3.72 8.31 0.00 -1.26 -5.01 105.19 115.19 1iyv n GLY 66 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1iyv n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iyv s ASP 67 N -1.13 7.11 1.00 1.61 1.11 -0.72 -4.80 116.67 120.85 1iyv s ASP 67 Ca 0.00 1.33 -0.13 0.00 0.18 0.00 0.00 52.55 53.93 1iyv s ASP 67 Cb 0.00 -2.45 0.17 0.00 1.07 0.00 0.00 42.92 41.71 1iyv s ASP 67 CO 0.00 -0.10 0.32 0.00 1.18 0.00 0.00 175.17 176.56 1iyv n ALA 68 N 3.53 -0.66 0.08 5.23 0.00 -1.26 -1.70 120.51 125.73 1iyv n ALA 68 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1iyv n ALA 68 Cb 0.51 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1iyv n ALA 68 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1iyv n ILE 69 N -4.38 0.00 -4.01 0.00 2.08 -0.65 -4.37 119.36 108.04 1iyv n ILE 69 Ca 0.06 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.24 1iyv n ILE 69 Cb 0.35 -0.18 -0.03 0.00 -0.75 0.00 0.00 39.64 39.03 1iyv n ILE 69 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1iyv s ILE 70 N -1.48 0.00 -0.04 1.39 -4.36 -1.15 -1.10 121.20 114.45 1iyv s ILE 70 Ca 0.00 -1.42 -0.04 0.00 -0.26 0.00 0.00 60.65 58.92 1iyv s ILE 70 Cb 0.00 -2.63 0.01 0.00 1.25 0.00 0.00 42.46 41.10 1iyv s ILE 70 CO 0.00 0.00 0.12 -0.70 0.24 0.00 0.00 174.94 174.60 1iyv s GLU 71 N -3.03 0.16 -0.03 0.37 2.12 -1.24 -1.37 118.70 115.67 1iyv s GLU 71 Ca 0.26 0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.74 1iyv s GLU 71 Cb -0.02 0.08 -0.03 0.00 0.26 0.00 0.00 34.13 34.42 1iyv s GLU 71 CO 0.16 -0.02 -0.00 -1.17 -0.54 0.00 0.00 175.26 173.69 1iyv s LEU 72 N 0.00 3.51 -0.43 2.70 0.20 -1.22 -1.53 118.68 121.92 1iyv s LEU 72 Ca -0.01 0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.87 1iyv s LEU 72 Cb -0.01 -1.93 0.14 0.00 -0.43 0.00 0.00 46.19 43.96 1iyv s LEU 72 CO 0.00 0.32 0.23 -0.70 -0.29 0.00 0.00 176.35 175.92 1iyv s GLU 73 N -1.28 1.17 -0.97 1.98 2.56 -0.74 -3.53 118.70 117.89 1iyv s GLU 73 Ca 0.17 -1.90 -0.24 0.00 0.00 0.00 0.00 54.97 53.00 1iyv s GLU 73 Cb -0.11 -2.17 0.03 0.00 2.00 0.00 0.00 34.13 33.88 1iyv s GLU 73 CO 0.07 -1.17 1.53 -1.25 -0.56 0.00 0.00 175.26 173.88 1iyv s PRO 74 N 0.47 3.36 0.18 4.30 0.04 -1.26 -3.98 135.00 138.10 1iyv s PRO 74 Ca 0.18 -0.87 0.00 0.00 0.04 0.00 0.00 61.00 60.35 1iyv s PRO 74 Cb -0.24 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.11 1iyv s PRO 74 CO 0.00 -2.41 0.00 0.00 0.04 0.00 0.00 177.00 174.63 1iyv n ALA 75 N 9.88 1.07 -3.56 8.56 0.00 -1.26 -4.91 120.51 130.28 1iyv n ALA 75 Ca 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.59 1iyv n ALA 75 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 1iyv n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iyv s ALA 76 N -2.00 -1.78 0.00 0.00 0.00 -1.26 -5.13 121.76 111.59 1iyv s ALA 76 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1iyv s ALA 76 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1iyv s ALA 76 CO 0.00 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1iyv n GLY 77 N 1.54 -1.57 3.93 0.00 0.00 -1.26 -4.89 105.19 102.94 1iyv n GLY 77 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1iyv n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iyv s ALA 78 N -2.26 2.19 -2.20 4.61 0.00 -1.26 -5.08 121.76 117.77 1iyv s ALA 78 Ca 0.00 -1.22 0.30 0.00 0.00 0.00 0.00 51.96 51.04 1iyv s ALA 78 Cb 0.00 -2.77 1.57 0.00 0.00 0.00 0.00 23.12 21.92 1iyv s ALA 78 CO 0.00 -2.49 2.04 0.54 0.00 0.00 0.00 175.76 175.85