#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5x s ARG 2 N 0.00 4.46 -0.03 2.12 0.52 -1.26 -4.91 118.95 119.85 1v5x s ARG 2 Ca 0.00 1.88 0.04 0.00 -0.52 0.00 0.00 55.73 57.13 1v5x s ARG 2 Cb 0.00 -3.26 -0.00 0.00 0.52 0.00 0.00 34.95 32.21 1v5x s ARG 2 CO 0.00 -0.15 -0.16 0.08 0.02 0.00 0.00 175.30 175.09 1v5x s VAL 3 N 0.22 1.30 -0.08 3.52 1.01 -1.26 0.14 120.40 125.25 1v5x s VAL 3 Ca 0.55 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1v5x s VAL 3 Cb -0.33 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1v5x s VAL 3 CO 0.35 0.38 -0.20 -0.75 0.00 0.00 0.00 175.10 174.88 1v5x s LYS 4 N -0.03 2.81 -0.31 2.72 2.20 -0.50 -1.07 119.74 125.57 1v5x s LYS 4 Ca -0.02 -0.81 -0.08 0.00 -0.36 0.00 0.00 55.97 54.71 1v5x s LYS 4 Cb -0.10 -2.34 0.01 0.00 -1.51 0.00 0.00 37.83 33.90 1v5x s LYS 4 CO 0.01 0.36 0.11 0.42 -0.36 0.00 0.00 175.35 175.89 1v5x s ILE 5 N -0.08 4.10 0.49 5.43 -1.09 -0.60 -1.30 121.20 128.15 1v5x s ILE 5 Ca -0.05 -0.72 0.05 0.00 -2.23 0.00 0.00 60.65 57.70 1v5x s ILE 5 Cb -0.14 -3.16 0.02 0.00 -1.58 0.00 0.00 42.46 37.60 1v5x s ILE 5 CO 0.04 0.01 0.67 0.00 -1.23 0.00 0.00 174.94 174.44 1v5x n GLY 7 N -2.10 -0.10 3.72 0.00 0.00 -1.07 -4.77 105.19 100.88 1v5x n GLY 7 Ca 0.08 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1v5x n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1v5x s ILE 8 N -2.75 3.42 0.00 -0.61 -1.09 0.13 -4.64 121.20 115.65 1v5x s ILE 8 Ca 0.08 1.05 0.00 0.00 -2.23 0.00 0.00 60.65 59.55 1v5x s ILE 8 Cb -0.04 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1v5x s ILE 8 CO 0.10 0.10 0.00 0.35 -1.23 0.00 0.00 174.94 174.26 1v5x n THR 9 N 3.63 0.00 -4.24 2.92 -2.24 -1.26 -4.61 114.28 108.49 1v5x n THR 9 Ca 0.10 -0.18 -0.17 0.00 -2.27 0.00 0.00 64.05 61.53 1v5x n THR 9 Cb 0.43 0.97 -0.14 0.00 -2.10 0.00 0.00 70.33 69.49 1v5x n THR 9 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1v5x s ARG 10 N -0.38 0.61 0.18 -0.78 0.52 -1.26 -5.04 118.95 112.80 1v5x s ARG 10 Ca 0.00 -0.40 -0.14 0.00 -0.52 0.00 0.00 55.73 54.67 1v5x s ARG 10 Cb 0.00 -0.56 0.17 0.00 0.52 0.00 0.00 34.95 35.08 1v5x s ARG 10 CO 0.00 0.15 1.68 1.25 0.02 0.00 0.00 175.30 178.40 1v5x h LEU 11 N 5.60 -0.22 -0.75 2.53 5.85 -1.98 -2.08 115.31 124.27 1v5x h LEU 11 Ca -0.31 0.12 0.17 0.00 0.84 0.00 0.00 57.88 58.69 1v5x h LEU 11 Cb 1.19 0.21 -0.13 0.00 0.37 0.00 0.00 40.66 42.30 1v5x h LEU 11 CO 0.48 -0.07 0.02 -0.08 -0.34 0.00 0.00 178.44 178.44 1v5x h GLU 12 N 0.10 0.11 -0.28 1.25 4.81 -2.00 -0.45 114.58 118.13 1v5x h GLU 12 Ca 0.24 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.28 1v5x h GLU 12 Cb 0.36 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1v5x h GLU 12 CO -0.41 0.07 -0.56 -0.44 -0.73 0.00 0.00 179.01 176.94 1v5x h ASP 13 N 0.11 0.97 -0.26 1.04 3.32 -1.80 -2.81 116.42 116.99 1v5x h ASP 13 Ca 0.41 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1v5x h ASP 13 Cb 0.72 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1v5x h ASP 13 CO -0.65 1.33 0.17 0.00 -1.72 0.00 0.00 179.24 178.37 1v5x h ALA 14 N 0.69 0.33 -0.74 3.45 0.00 -0.72 -1.45 119.26 120.83 1v5x h ALA 14 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1v5x h ALA 14 Cb 1.17 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1v5x h ALA 14 CO 0.12 -0.19 0.29 -0.07 0.00 0.00 0.00 179.25 179.41 1v5x h LEU 15 N 0.35 1.02 -0.12 0.00 3.38 -1.15 -0.90 115.31 117.89 1v5x h LEU 15 Ca 0.10 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1v5x h LEU 15 Cb -0.03 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 1v5x h LEU 15 CO -0.02 0.92 -0.03 0.25 0.09 0.00 0.00 178.44 179.65 1v5x h LEU 16 N 1.07 0.23 -0.56 1.67 6.46 -1.36 0.25 115.31 123.06 1v5x h LEU 16 Ca 0.25 -0.36 0.07 0.00 -0.12 0.00 0.00 57.88 57.71 1v5x h LEU 16 Cb 0.22 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.03 1v5x h LEU 16 CO -0.02 0.54 0.24 0.00 -0.62 0.00 0.00 178.44 178.58 1v5x h ALA 17 N 0.70 0.72 0.02 1.25 0.00 -1.17 0.89 119.26 121.67 1v5x h ALA 17 Ca 0.03 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1v5x h ALA 17 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1v5x h ALA 17 CO 0.01 -0.14 -0.01 1.49 0.00 0.00 0.00 179.25 180.60 1v5x h GLU 18 N 0.46 -0.03 -0.72 0.00 4.81 -1.02 -2.25 114.58 115.83 1v5x h GLU 18 Ca 0.27 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 1v5x h GLU 18 Cb 0.26 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1v5x h GLU 18 CO -0.23 -0.00 0.48 0.00 -0.73 0.00 0.00 179.01 178.52 1v5x h ALA 19 N 0.94 1.61 0.00 2.92 0.00 -0.24 -1.58 119.26 122.90 1v5x h ALA 19 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1v5x h ALA 19 Cb 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1v5x h ALA 19 CO 0.00 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.84 1v5x n LEU 20 N -4.46 0.22 0.00 0.00 4.77 0.24 -4.90 117.00 112.87 1v5x n LEU 20 Ca 0.10 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1v5x n LEU 20 Cb 0.15 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1v5x n LEU 20 CO 0.34 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1v5x n GLY 21 N 0.60 1.46 3.77 -0.72 0.00 -0.60 -4.96 105.19 104.74 1v5x n GLY 21 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1v5x n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v5x s ALA 22 N -2.00 3.35 -0.17 4.61 0.00 -0.88 -4.79 121.76 121.89 1v5x s ALA 22 Ca 0.00 1.09 0.17 0.00 0.00 0.00 0.00 51.96 53.22 1v5x s ALA 22 Cb 0.00 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1v5x s ALA 22 CO 0.00 -0.52 1.13 0.74 0.00 0.00 0.00 175.76 177.11 1v5x h PHE 23 N 3.20 0.00 -3.59 0.00 -1.00 -1.46 -3.45 116.94 110.64 1v5x h PHE 23 Ca -0.48 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.20 1v5x h PHE 23 Cb 1.23 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 40.63 1v5x h PHE 23 CO 0.56 0.44 -0.34 0.00 -1.61 0.00 0.00 178.31 177.37 1v5x s ALA 24 N -3.01 -0.41 -0.04 2.45 0.00 -1.17 -1.18 121.76 118.39 1v5x s ALA 24 Ca 0.01 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1v5x s ALA 24 Cb 0.08 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.60 1v5x s ALA 24 CO 0.78 -0.44 -0.09 -0.51 0.00 0.00 0.00 175.76 175.49 1v5x s LEU 25 N -2.40 1.65 -0.11 0.00 1.43 -0.03 -1.56 118.68 117.67 1v5x s LEU 25 Ca -0.01 -0.21 -0.10 0.00 -1.03 0.00 0.00 54.13 52.78 1v5x s LEU 25 Cb 0.01 -0.61 -0.05 0.00 0.03 0.00 0.00 46.19 45.58 1v5x s LEU 25 CO -0.07 0.03 0.23 -0.83 0.23 0.00 0.00 176.35 175.94 1v5x s GLY 26 N 0.46 2.23 -0.29 -3.19 0.00 0.40 -0.37 107.32 106.57 1v5x s GLY 26 Ca -0.08 -0.51 0.02 0.00 0.00 0.00 0.00 44.72 44.14 1v5x s GLY 26 CO 0.01 -0.07 0.02 -1.36 0.00 0.00 0.00 173.10 171.70 1v5x s PHE 27 N -0.67 2.75 -0.09 1.90 0.08 0.65 -0.69 117.98 121.91 1v5x s PHE 27 Ca 0.17 -2.22 -0.30 0.00 0.12 0.00 0.00 56.93 54.70 1v5x s PHE 27 Cb -0.13 -2.11 -0.03 0.00 -0.57 0.00 0.00 43.02 40.18 1v5x s PHE 27 CO 0.06 -0.87 1.31 0.08 -0.10 0.00 0.00 175.22 175.70 1v5x s VAL 28 N 1.26 4.10 -0.09 -0.44 1.01 -1.26 -1.09 120.40 123.88 1v5x s VAL 28 Ca 0.04 1.38 0.14 0.00 0.00 0.00 0.00 61.98 63.54 1v5x s VAL 28 Cb -0.19 -3.89 0.21 0.00 0.00 0.00 0.00 36.38 32.51 1v5x s VAL 28 CO -0.12 -0.07 1.10 0.18 0.00 0.00 0.00 175.10 176.20 1v5x n LEU 29 N 6.06 2.17 -4.51 3.92 4.77 0.12 -1.57 117.00 127.96 1v5x n LEU 29 Ca 0.13 -2.74 -0.43 0.00 -0.03 0.00 0.00 56.01 52.94 1v5x n LEU 29 Cb 0.45 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1v5x n LEU 29 CO 0.57 0.64 0.63 0.00 -1.33 0.00 0.00 177.39 177.90 1v5x s ALA 30 N -2.33 3.23 -0.20 -1.18 0.00 -1.11 -4.87 121.76 115.30 1v5x s ALA 30 Ca 0.23 -1.27 -0.37 0.00 0.00 0.00 0.00 51.96 50.56 1v5x s ALA 30 Cb 0.20 -3.61 -0.13 0.00 0.00 0.00 0.00 23.12 19.59 1v5x s ALA 30 CO 0.02 -2.21 1.88 -2.30 0.00 0.00 0.00 175.76 173.15 1v5x n PRO 31 N 7.06 1.63 0.00 0.00 -0.02 -1.26 -2.25 135.00 140.16 1v5x n PRO 31 Ca 0.00 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1v5x n PRO 31 Cb 0.47 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1v5x n PRO 31 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1v5x n GLY 32 N 4.63 1.03 3.91 -1.23 0.00 -1.26 -5.07 105.19 107.20 1v5x n GLY 32 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 1v5x n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v5x s SER 33 N -1.15 6.24 0.00 1.61 0.15 -0.95 -4.98 113.70 114.62 1v5x s SER 33 Ca 0.00 0.82 0.30 0.00 0.70 0.00 0.00 55.95 57.77 1v5x s SER 33 Cb 0.00 -2.18 1.42 0.00 -1.71 0.00 0.00 66.02 63.55 1v5x s SER 33 CO 0.00 -0.54 1.97 0.54 1.20 0.00 0.00 173.24 176.41 1v5x n ARG 34 N -2.18 0.74 -0.32 5.44 1.74 -1.26 -3.62 116.66 117.20 1v5x n ARG 34 Ca -0.00 -0.18 0.05 0.00 -0.77 0.00 0.00 57.85 56.95 1v5x n ARG 34 Cb 0.55 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.57 1v5x n ARG 34 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1v5x n ARG 35 N -0.98 0.66 -1.78 5.56 1.74 -1.26 -4.60 116.66 116.00 1v5x n ARG 35 Ca 0.17 -1.85 -0.36 0.00 -0.77 0.00 0.00 57.85 55.03 1v5x n ARG 35 Cb 0.24 -1.00 0.06 0.00 -1.02 0.00 0.00 32.46 30.74 1v5x n ARG 35 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1v5x s ARG 36 N -1.48 2.62 -0.02 5.56 3.52 -1.24 -4.37 118.95 123.55 1v5x s ARG 36 Ca 0.17 1.95 -0.10 0.00 -0.13 0.00 0.00 55.73 57.63 1v5x s ARG 36 Cb 0.16 -1.87 0.01 0.00 -1.56 0.00 0.00 34.95 31.69 1v5x s ARG 36 CO 0.01 -1.52 0.20 -1.50 -0.81 0.00 0.00 175.30 171.68 1v5x s ILE 37 N -1.53 0.06 0.20 4.11 2.07 -0.61 -4.98 121.20 120.52 1v5x s ILE 37 Ca 0.80 -0.51 -0.30 0.00 -1.41 0.00 0.00 60.65 59.23 1v5x s ILE 37 Cb -0.34 -0.47 -0.09 0.00 0.13 0.00 0.00 42.46 41.69 1v5x s ILE 37 CO 0.38 -0.28 1.37 0.00 -1.91 0.00 0.00 174.94 174.50 1v5x s ALA 38 N -1.11 3.57 0.25 1.50 0.00 -1.26 -4.66 121.76 120.05 1v5x s ALA 38 Ca -0.12 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.98 1v5x s ALA 38 Cb -0.06 -3.52 0.47 0.00 0.00 0.00 0.00 23.12 20.01 1v5x s ALA 38 CO 0.02 -0.61 1.72 -1.00 0.00 0.00 0.00 175.76 175.88 1v5x h PRO 39 N 5.53 0.38 -0.42 0.00 0.13 -1.95 0.26 132.00 135.93 1v5x h PRO 39 Ca -0.45 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1v5x h PRO 39 Cb 1.21 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1v5x h PRO 39 CO 0.79 0.25 0.26 0.93 -0.23 0.00 0.00 178.00 180.00 1v5x h GLU 40 N 0.39 0.55 0.10 0.86 3.07 -1.91 -1.47 114.58 116.17 1v5x h GLU 40 Ca 0.42 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1v5x h GLU 40 Cb 0.67 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1v5x h GLU 40 CO -0.44 0.38 -0.05 0.00 -1.40 0.00 0.00 179.01 177.51 1v5x h ALA 41 N 1.72 -0.13 -0.91 3.43 0.00 -0.94 -1.81 119.26 120.61 1v5x h ALA 41 Ca 0.15 -0.22 0.23 0.00 0.00 0.00 0.00 54.91 55.07 1v5x h ALA 41 Cb -0.04 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1v5x h ALA 41 CO -0.03 -0.33 0.62 0.00 0.00 0.00 0.00 179.25 179.51 1v5x h ALA 42 N 0.20 2.46 -0.13 0.00 0.00 -0.80 0.33 119.26 121.31 1v5x h ALA 42 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1v5x h ALA 42 Cb 0.49 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1v5x h ALA 42 CO 0.02 -0.75 -0.63 -0.09 0.00 0.00 0.00 179.25 177.81 1v5x h ARG 43 N 0.24 0.66 -0.33 0.00 2.43 -1.14 -1.82 114.38 114.41 1v5x h ARG 43 Ca 0.46 -0.53 0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1v5x h ARG 43 Cb 1.42 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 31.02 1v5x h ARG 43 CO -0.12 1.15 -0.03 0.00 -1.51 0.00 0.00 179.97 179.46 1v5x h ALA 44 N 0.51 0.28 -0.79 2.80 0.00 -0.10 -0.77 119.26 121.19 1v5x h ALA 44 Ca -0.04 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1v5x h ALA 44 Cb 1.27 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 1v5x h ALA 44 CO 0.13 -0.42 0.52 0.82 0.00 0.00 0.00 179.25 180.30 1v5x h ILE 45 N 0.06 1.09 -0.52 0.00 2.04 -1.18 -2.04 117.51 116.97 1v5x h ILE 45 Ca 0.16 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1v5x h ILE 45 Cb 0.23 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1v5x h ILE 45 CO -0.30 0.17 0.17 1.23 0.00 0.00 0.00 178.15 179.43 1v5x h GLY 46 N 0.93 0.82 2.00 5.37 0.00 -0.29 -1.20 103.07 110.71 1v5x h GLY 46 Ca 0.32 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1v5x h GLY 46 CO -0.10 0.41 0.00 0.83 0.00 0.00 0.00 176.54 177.68 1v5x h GLU 47 N 0.75 0.00 0.00 4.80 5.08 -0.50 -2.06 114.58 122.66 1v5x h GLU 47 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1v5x h GLU 47 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1v5x h GLU 47 CO -0.01 0.00 -0.92 0.00 -1.00 0.00 0.00 179.01 177.08 1v5x n ALA 48 N -2.03 3.86 -2.26 3.43 0.00 -0.47 -4.96 120.51 118.08 1v5x n ALA 48 Ca -0.02 -0.46 -0.26 0.00 0.00 0.00 0.00 53.44 52.70 1v5x n ALA 48 Cb 0.08 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.61 1v5x n ALA 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1v5x s LEU 49 N -3.41 3.56 0.76 0.00 1.43 -0.77 -5.06 118.68 115.19 1v5x s LEU 49 Ca 0.07 0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 53.78 1v5x s LEU 49 Cb 0.16 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.80 1v5x s LEU 49 CO 0.80 -0.70 1.12 -0.83 0.23 0.00 0.00 176.35 176.97 1v5x s GLY 50 N -4.17 1.62 0.30 -3.19 0.00 -1.26 -4.98 107.32 95.63 1v5x s GLY 50 Ca 0.49 -0.39 0.26 0.00 0.00 0.00 0.00 44.72 45.07 1v5x s GLY 50 CO 0.43 0.03 1.76 -0.56 0.00 0.00 0.00 173.10 174.76 1v5x h PRO 51 N -0.88 0.00 -1.71 2.90 0.13 -1.98 -3.35 132.00 127.11 1v5x h PRO 51 Ca -0.46 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 63.94 1v5x h PRO 51 Cb 1.28 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.14 1v5x h PRO 51 CO 0.63 0.00 0.98 1.19 -0.23 0.00 0.00 178.00 180.57 1v5x n PHE 52 N -2.41 2.98 -3.76 1.56 3.72 -1.26 -4.84 117.46 113.46 1v5x n PHE 52 Ca 0.03 -2.51 -0.13 0.00 -0.05 0.00 0.00 57.45 54.79 1v5x n PHE 52 Cb 0.30 -1.27 -0.13 0.00 -0.94 0.00 0.00 39.48 37.44 1v5x n PHE 52 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1v5x s VAL 53 N -4.87 -0.03 0.04 -4.37 0.11 -1.26 -4.96 120.40 105.06 1v5x s VAL 53 Ca 0.56 0.12 -0.27 0.00 -2.93 0.00 0.00 61.98 59.46 1v5x s VAL 53 Cb 0.46 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.97 1v5x s VAL 53 CO -0.29 0.05 0.85 -0.69 -3.33 0.00 0.00 175.10 171.69 1v5x s VAL 54 N 0.91 4.74 -0.40 2.04 1.01 -0.33 -4.96 120.40 123.42 1v5x s VAL 54 Ca -0.07 1.80 -0.16 0.00 0.00 0.00 0.00 61.98 63.55 1v5x s VAL 54 Cb -0.08 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.11 1v5x s VAL 54 CO -0.05 0.30 0.40 -0.13 0.00 0.00 0.00 175.10 175.61 1v5x s ARG 55 N 0.27 3.20 -0.18 2.72 0.52 -1.26 -0.85 118.95 123.37 1v5x s ARG 55 Ca 0.43 -0.71 -0.08 0.00 -0.52 0.00 0.00 55.73 54.85 1v5x s ARG 55 Cb -0.21 -3.93 -0.04 0.00 0.52 0.00 0.00 34.95 31.29 1v5x s ARG 55 CO 0.25 -0.75 0.09 0.08 0.02 0.00 0.00 175.30 174.99 1v5x s VAL 56 N 2.03 5.08 -0.18 3.52 1.01 0.51 -0.71 120.40 131.66 1v5x s VAL 56 Ca 0.11 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 1v5x s VAL 56 Cb -0.17 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1v5x s VAL 56 CO 0.13 0.47 0.16 -0.83 0.00 0.00 0.00 175.10 175.03 1v5x s GLY 57 N 0.17 2.09 -0.18 4.51 0.00 0.12 -0.25 107.32 113.79 1v5x s GLY 57 Ca 0.07 -0.64 -0.04 0.00 0.00 0.00 0.00 44.72 44.10 1v5x s GLY 57 CO -0.00 0.08 -0.02 0.14 0.00 0.00 0.00 173.10 173.29 1v5x s VAL 58 N 0.09 3.86 0.37 1.40 1.01 -0.25 0.51 120.40 127.39 1v5x s VAL 58 Ca 0.11 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1v5x s VAL 58 Cb -0.12 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1v5x s VAL 58 CO 0.00 0.46 0.07 -0.36 0.00 0.00 0.00 175.10 175.27 1v5x s PHE 59 N 0.69 1.95 -0.24 5.22 0.08 -0.12 0.12 117.98 125.68 1v5x s PHE 59 Ca -0.01 -1.02 -0.05 0.00 0.12 0.00 0.00 56.93 55.96 1v5x s PHE 59 Cb -0.14 -1.31 0.12 0.00 -0.57 0.00 0.00 43.02 41.12 1v5x s PHE 59 CO 0.02 -0.02 0.47 0.50 -0.10 0.00 0.00 175.22 176.09 1v5x s ARG 60 N -3.83 0.40 -1.59 0.44 3.52 -1.26 -1.05 118.95 115.57 1v5x s ARG 60 Ca 0.31 0.95 -0.15 0.00 -0.13 0.00 0.00 55.73 56.72 1v5x s ARG 60 Cb 0.07 0.22 0.11 0.00 -1.56 0.00 0.00 34.95 33.79 1v5x s ARG 60 CO 0.14 -0.41 0.87 -0.25 -0.81 0.00 0.00 175.30 174.85 1v5x n ASP 61 N 5.40 -3.89 -4.53 -2.12 8.00 -1.26 -4.83 116.55 113.32 1v5x n ASP 61 Ca -0.07 -0.89 -0.34 0.00 0.71 0.00 0.00 54.79 54.21 1v5x n ASP 61 Cb 0.50 -3.39 -0.12 0.00 -0.02 0.00 0.00 41.12 38.09 1v5x n ASP 61 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1v5x s GLN 62 N -6.73 3.44 0.51 -1.24 -0.21 -1.26 -5.05 119.66 109.11 1v5x s GLN 62 Ca 0.65 -0.52 -0.22 0.00 0.02 0.00 0.00 55.36 55.29 1v5x s GLN 62 Cb -0.34 -2.84 -0.07 0.00 1.00 0.00 0.00 33.01 30.76 1v5x s GLN 62 CO 0.87 0.36 1.13 -0.35 -2.12 0.00 0.00 175.29 175.19 1v5x n PRO 63 N 3.16 1.41 -0.33 2.91 -0.04 -1.26 -4.59 135.00 136.26 1v5x n PRO 63 Ca -0.18 0.52 0.16 0.00 -0.04 0.00 0.00 63.50 63.96 1v5x n PRO 63 Cb 0.53 -2.28 0.35 0.00 -0.04 0.00 0.00 33.50 32.06 1v5x n PRO 63 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1v5x h PRO 64 N 1.30 0.48 -0.90 0.54 0.11 -1.99 0.90 132.00 132.45 1v5x h PRO 64 Ca -0.48 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.72 1v5x h PRO 64 Cb 1.33 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 1v5x h PRO 64 CO 0.56 0.32 0.58 1.05 -0.21 0.00 0.00 178.00 180.29 1v5x h GLU 65 N 0.50 0.78 0.04 1.05 4.11 -1.99 0.30 114.58 119.37 1v5x h GLU 65 Ca 0.61 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.99 1v5x h GLU 65 Cb 1.16 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1v5x h GLU 65 CO -0.50 0.52 -0.02 1.49 0.07 0.00 0.00 179.01 180.57 1v5x h GLU 66 N 0.80 -0.05 -0.83 1.06 4.57 0.47 -3.00 114.58 117.61 1v5x h GLU 66 Ca 0.44 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.69 1v5x h GLU 66 Cb 0.55 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 29.05 1v5x h GLU 66 CO -0.20 -0.03 -0.50 0.28 -1.18 0.00 0.00 179.01 177.37 1v5x h VAL 67 N -0.09 0.00 -0.98 0.32 2.07 -1.07 0.23 116.25 116.74 1v5x h VAL 67 Ca -0.01 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.71 1v5x h VAL 67 Cb 0.04 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.72 1v5x h VAL 67 CO 0.01 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.14 1v5x h LEU 68 N -0.02 0.65 -0.61 2.57 3.38 -1.09 0.58 115.31 120.78 1v5x h LEU 68 Ca 0.13 0.08 -0.15 0.00 0.09 0.00 0.00 57.88 58.03 1v5x h LEU 68 Cb 0.36 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1v5x h LEU 68 CO -0.79 0.24 -0.53 -0.09 0.09 0.00 0.00 178.44 177.36 1v5x h ARG 69 N 0.63 0.45 -0.07 1.13 2.43 -0.53 -2.32 114.38 116.11 1v5x h ARG 69 Ca 0.54 -0.28 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 1v5x h ARG 69 Cb 1.02 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1v5x h ARG 69 CO -0.30 0.87 -0.31 -0.07 -1.51 0.00 0.00 179.97 178.65 1v5x h LEU 70 N 0.35 0.39 -0.63 3.80 3.38 0.18 -1.19 115.31 121.59 1v5x h LEU 70 Ca 0.01 -0.65 0.10 0.00 0.09 0.00 0.00 57.88 57.44 1v5x h LEU 70 Cb 1.05 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.60 1v5x h LEU 70 CO 0.09 0.97 0.23 0.24 0.09 0.00 0.00 178.44 180.06 1v5x h MET 71 N -0.17 0.39 -0.31 1.13 2.86 0.01 0.18 114.93 119.01 1v5x h MET 71 Ca -0.02 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1v5x h MET 71 Cb 0.96 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1v5x h MET 71 CO 0.06 0.26 -0.09 1.49 1.06 0.00 0.00 176.91 179.69 1v5x h GLU 72 N 0.40 0.61 -0.30 1.72 4.81 -1.43 0.85 114.58 121.25 1v5x h GLU 72 Ca 0.33 -0.24 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1v5x h GLU 72 Cb 0.43 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 1v5x h GLU 72 CO -0.33 0.80 -0.01 1.49 -0.73 0.00 0.00 179.01 180.23 1v5x h GLU 73 N 0.38 0.08 -0.01 1.92 4.81 0.09 -1.93 114.58 119.92 1v5x h GLU 73 Ca 0.08 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1v5x h GLU 73 Cb 0.58 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1v5x h GLU 73 CO 0.03 0.05 -0.04 0.00 -0.73 0.00 0.00 179.01 178.32 1v5x n ALA 74 N -2.45 2.68 -3.63 2.92 0.00 0.49 -4.67 120.51 115.86 1v5x n ALA 74 Ca -0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 53.44 52.86 1v5x n ALA 74 Cb 0.15 -1.24 0.05 0.00 0.00 0.00 0.00 19.45 18.41 1v5x n ALA 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1v5x n ARG 75 N -0.27 -5.51 -2.91 0.00 5.12 0.07 -3.70 116.66 109.47 1v5x n ARG 75 Ca 0.19 0.69 -0.21 0.00 -1.93 0.00 0.00 57.85 56.58 1v5x n ARG 75 Cb 0.30 -5.41 0.02 0.00 -1.16 0.00 0.00 32.46 26.21 1v5x n ARG 75 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1v5x s LEU 76 N -6.62 3.54 -0.04 0.55 1.43 0.05 -5.00 118.68 112.59 1v5x s LEU 76 Ca 0.04 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1v5x s LEU 76 Cb -0.02 -2.96 -0.06 0.00 0.03 0.00 0.00 46.19 43.19 1v5x s LEU 76 CO 0.79 -0.84 0.03 0.00 0.23 0.00 0.00 176.35 176.55 1v5x n GLN 77 N -2.11 2.87 -4.56 1.70 6.02 0.11 -4.82 117.38 116.60 1v5x n GLN 77 Ca 0.04 -0.01 -0.23 0.00 -0.01 0.00 0.00 57.00 56.80 1v5x n GLN 77 Cb 0.59 -1.11 -0.14 0.00 1.02 0.00 0.00 30.24 30.59 1v5x n GLN 77 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1v5x s VAL 78 N -2.13 1.29 -0.21 5.09 1.01 -0.85 -4.11 120.40 120.50 1v5x s VAL 78 Ca -0.02 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1v5x s VAL 78 Cb 0.02 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1v5x s VAL 78 CO 0.18 0.17 -0.01 0.00 0.00 0.00 0.00 175.10 175.44 1v5x s ALA 79 N -0.67 2.95 -0.35 5.51 0.00 -0.74 0.13 121.76 128.59 1v5x s ALA 79 Ca 0.05 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 1v5x s ALA 79 Cb -0.07 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.31 1v5x s ALA 79 CO 0.01 -0.25 0.19 -1.14 0.00 0.00 0.00 175.76 174.57 1v5x s GLN 80 N 1.17 3.07 -0.56 0.00 0.74 0.18 -1.65 119.66 122.63 1v5x s GLN 80 Ca 0.03 -0.91 -0.21 0.00 0.05 0.00 0.00 55.36 54.32 1v5x s GLN 80 Cb -0.14 -3.67 0.06 0.00 1.10 0.00 0.00 33.01 30.36 1v5x s GLN 80 CO 0.01 -0.57 0.77 -0.51 -0.55 0.00 0.00 175.29 174.44 1v5x s LEU 81 N 1.59 4.73 0.00 3.68 1.43 -0.24 -0.94 118.68 128.93 1v5x s LEU 81 Ca 0.03 -0.88 0.23 0.00 -1.03 0.00 0.00 54.13 52.49 1v5x s LEU 81 Cb -0.18 -2.51 0.06 0.00 0.03 0.00 0.00 46.19 43.59 1v5x s LEU 81 CO 0.07 -1.10 1.12 1.57 0.23 0.00 0.00 176.35 178.23 1v5x n HIS 82 N 6.76 0.00 0.00 0.29 -0.00 -0.22 -1.36 115.22 120.69 1v5x n HIS 82 Ca -0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.13 1v5x n HIS 82 Cb 0.45 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.29 1v5x n HIS 82 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1v5x n GLY 83 N 1.44 0.85 1.91 1.57 0.00 -1.24 -4.84 105.19 104.88 1v5x n GLY 83 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 1v5x n GLY 83 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1v5x n GLU 84 N 0.00 0.62 -1.54 1.61 4.07 -1.26 -4.90 120.64 119.24 1v5x n GLU 84 Ca 0.00 -2.19 -0.41 0.00 -0.06 0.00 0.00 57.16 54.50 1v5x n GLU 84 Cb 0.00 -0.33 0.02 0.00 -0.06 0.00 0.00 31.44 31.06 1v5x n GLU 84 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1v5x n GLU 85 N -0.09 0.94 -2.49 5.31 4.71 -1.26 -4.95 120.64 122.82 1v5x n GLU 85 Ca -0.01 0.34 -0.36 0.00 -0.01 0.00 0.00 57.16 57.12 1v5x n GLU 85 Cb 0.95 -1.82 -0.03 0.00 -1.01 0.00 0.00 31.44 29.53 1v5x n GLU 85 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1v5x s PRO 86 N -1.92 4.02 0.57 3.49 0.04 -1.26 -4.85 135.00 135.08 1v5x s PRO 86 Ca 0.65 1.53 0.28 0.00 0.04 0.00 0.00 61.00 63.50 1v5x s PRO 86 Cb -0.55 -2.43 1.49 0.00 0.04 0.00 0.00 34.50 33.04 1v5x s PRO 86 CO 0.56 -0.28 1.94 -1.00 0.04 0.00 0.00 177.00 178.27 1v5x h PRO 87 N 2.23 0.00 -0.56 0.56 0.13 -1.98 0.47 132.00 132.85 1v5x h PRO 87 Ca -0.49 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1v5x h PRO 87 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1v5x h PRO 87 CO 0.61 0.00 0.34 0.93 -0.23 0.00 0.00 178.00 179.66 1v5x h GLU 88 N 0.00 0.66 -0.19 0.86 3.07 -1.99 0.21 114.58 117.20 1v5x h GLU 88 Ca 0.23 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.97 1v5x h GLU 88 Cb 1.11 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1v5x h GLU 88 CO -0.00 0.44 -0.18 -1.49 -1.40 0.00 0.00 179.01 176.38 1v5x h TRP 89 N 0.68 0.55 -0.86 4.33 4.06 -0.47 -1.60 115.95 122.64 1v5x h TRP 89 Ca 0.22 -0.16 0.11 0.00 2.06 0.00 0.00 58.89 61.11 1v5x h TRP 89 Cb 0.00 -0.12 -0.06 0.00 -1.00 0.00 0.00 29.16 27.98 1v5x h TRP 89 CO -0.06 0.81 0.56 0.00 -3.56 0.00 0.00 178.44 176.20 1v5x h ALA 90 N 0.64 1.71 -0.29 1.49 0.00 -0.91 -0.47 119.26 121.43 1v5x h ALA 90 Ca 0.03 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1v5x h ALA 90 Cb 0.72 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1v5x h ALA 90 CO 0.05 0.11 -0.16 0.93 0.00 0.00 0.00 179.25 180.17 1v5x h GLU 91 N 0.81 0.61 -0.43 0.00 4.39 -0.40 0.47 114.58 120.04 1v5x h GLU 91 Ca 0.41 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 1v5x h GLU 91 Cb 0.48 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1v5x h GLU 91 CO -0.17 0.86 0.26 0.00 -1.16 0.00 0.00 179.01 178.80 1v5x h ALA 92 N 0.74 0.54 -0.10 3.43 0.00 -0.23 -2.41 119.26 121.23 1v5x h ALA 92 Ca 0.06 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1v5x h ALA 92 Cb 0.69 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1v5x h ALA 92 CO 0.05 0.03 -0.86 -0.39 0.00 0.00 0.00 179.25 178.08 1v5x h VAL 93 N 0.56 1.28 0.00 0.00 -1.51 -1.13 -2.99 116.25 112.47 1v5x h VAL 93 Ca 0.15 -2.06 0.00 0.00 -1.23 0.00 0.00 66.70 63.56 1v5x h VAL 93 Cb -0.01 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1v5x h VAL 93 CO -0.03 0.65 0.00 0.61 -1.23 0.00 0.00 177.57 177.57 1v5x n GLY 94 N 0.84 -0.10 0.06 5.19 0.00 0.17 -0.09 105.19 111.26 1v5x n GLY 94 Ca -0.09 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1v5x n GLY 94 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1v5x n ARG 95 N -1.09 0.22 0.00 1.61 0.63 -0.93 -4.28 116.66 112.81 1v5x n ARG 95 Ca 0.00 -0.13 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 1v5x n ARG 95 Cb 0.00 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.41 1v5x n ARG 95 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1v5x n PHE 96 N -1.28 0.00 -3.96 -0.14 3.72 0.87 -5.10 117.46 111.58 1v5x n PHE 96 Ca 0.07 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.38 1v5x n PHE 96 Cb 0.34 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.78 1v5x n PHE 96 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1v5x s TYR 97 N -1.55 0.23 0.61 1.38 2.02 -0.57 -5.09 117.35 114.37 1v5x s TYR 97 Ca 0.00 -0.49 -0.18 0.00 -0.37 0.00 0.00 57.07 56.02 1v5x s TYR 97 Cb 0.00 -0.17 -0.03 0.00 -0.40 0.00 0.00 41.96 41.36 1v5x s TYR 97 CO 0.00 -0.27 1.22 -2.14 -1.57 0.00 0.00 175.55 172.79 1v5x s PRO 98 N -1.95 2.86 -0.03 -1.71 0.02 -1.26 -3.97 135.00 128.96 1v5x s PRO 98 Ca -0.11 1.87 0.06 0.00 0.02 0.00 0.00 61.00 62.83 1v5x s PRO 98 Cb -0.06 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.54 1v5x s PRO 98 CO -0.02 -1.31 -0.20 0.08 -0.33 0.00 0.00 177.00 175.22 1v5x s VAL 99 N -1.58 1.65 -0.13 3.83 1.01 -1.26 -1.79 120.40 122.13 1v5x s VAL 99 Ca 0.78 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1v5x s VAL 99 Cb -0.32 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1v5x s VAL 99 CO 0.35 0.47 -0.18 -0.63 0.00 0.00 0.00 175.10 175.11 1v5x s ILE 100 N -0.32 2.58 -0.16 2.22 1.01 -0.66 0.03 121.20 125.91 1v5x s ILE 100 Ca 0.04 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.81 1v5x s ILE 100 Cb -0.10 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 1v5x s ILE 100 CO 0.01 0.54 0.00 -0.75 0.00 0.00 0.00 174.94 174.74 1v5x s LYS 101 N 0.47 3.71 0.21 2.79 2.47 -0.45 -1.08 119.74 127.86 1v5x s LYS 101 Ca -0.12 -0.44 -0.17 0.00 -1.56 0.00 0.00 55.97 53.68 1v5x s LYS 101 Cb -0.16 -3.01 -0.08 0.00 -1.46 0.00 0.00 37.83 33.11 1v5x s LYS 101 CO 0.05 0.31 0.66 0.00 0.16 0.00 0.00 175.35 176.53 1v5x s ALA 102 N 0.22 3.47 -0.16 3.13 0.00 -0.47 -0.76 121.76 127.19 1v5x s ALA 102 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 1v5x s ALA 102 Cb -0.13 -2.69 0.08 0.00 0.00 0.00 0.00 23.12 20.37 1v5x s ALA 102 CO 0.02 0.38 0.28 -0.06 0.00 0.00 0.00 175.76 176.38 1v5x s PHE 103 N -1.56 -0.48 0.58 0.00 0.40 -0.45 -4.88 117.98 111.58 1v5x s PHE 103 Ca 0.42 0.89 -0.19 0.00 -0.60 0.00 0.00 56.93 57.46 1v5x s PHE 103 Cb -0.15 -0.05 -0.04 0.00 0.51 0.00 0.00 43.02 43.29 1v5x s PHE 103 CO 0.20 -0.45 1.21 -1.25 0.70 0.00 0.00 175.22 175.63 1v5x s PRO 104 N 2.44 3.07 -0.68 0.24 0.04 -1.26 -2.31 135.00 136.53 1v5x s PRO 104 Ca 0.03 1.83 0.05 0.00 0.04 0.00 0.00 61.00 62.95 1v5x s PRO 104 Cb -0.13 -1.99 0.16 0.00 0.04 0.00 0.00 34.50 32.59 1v5x s PRO 104 CO -0.10 -1.13 0.46 -0.51 0.04 0.00 0.00 177.00 175.76 1v5x s LEU 105 N -3.94 4.77 -0.01 -3.56 1.43 0.73 -4.87 118.68 113.22 1v5x s LEU 105 Ca 0.76 -3.73 0.01 0.00 -1.03 0.00 0.00 54.13 50.14 1v5x s LEU 105 Cb -0.30 -1.64 0.04 0.00 0.03 0.00 0.00 46.19 44.32 1v5x s LEU 105 CO 0.33 -0.11 0.64 -0.62 0.23 0.00 0.00 176.35 176.83 1v5x n GLU 106 N 2.15 1.19 0.00 1.70 1.02 -1.26 -4.27 120.64 121.17 1v5x n GLU 106 Ca 0.17 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1v5x n GLU 106 Cb 0.35 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1v5x n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v5x n GLY 107 N 0.09 -0.31 3.82 0.62 0.00 -1.26 -5.11 105.19 103.05 1v5x n GLY 107 Ca 0.02 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 1v5x n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v5x s PRO 108 N -0.28 3.97 -0.13 1.61 0.04 -1.26 -4.75 135.00 134.19 1v5x s PRO 108 Ca 0.00 1.09 -0.18 0.00 0.04 0.00 0.00 61.00 61.96 1v5x s PRO 108 Cb 0.00 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1v5x s PRO 108 CO 0.00 -0.26 0.46 0.00 0.04 0.00 0.00 177.00 177.24 1v5x s ALA 109 N -2.36 3.49 -0.29 8.56 0.00 -1.20 -5.03 121.76 124.94 1v5x s ALA 109 Ca 0.62 -0.23 -0.29 0.00 0.00 0.00 0.00 51.96 52.06 1v5x s ALA 109 Cb -0.11 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 1v5x s ALA 109 CO 0.24 -0.02 1.68 1.03 0.00 0.00 0.00 175.76 178.69 1v5x s ARG 110 N 0.67 3.57 0.54 0.00 3.00 -1.26 -4.32 118.95 121.14 1v5x s ARG 110 Ca 0.25 1.48 0.18 0.00 0.00 0.00 0.00 55.73 57.65 1v5x s ARG 110 Cb -0.15 -4.11 1.00 0.00 0.00 0.00 0.00 34.95 31.69 1v5x s ARG 110 CO 0.10 -1.57 1.52 -1.35 0.00 0.00 0.00 175.30 173.99 1v5x h PRO 111 N 11.68 0.00 0.00 3.54 0.11 -1.96 0.27 132.00 145.63 1v5x h PRO 111 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1v5x h PRO 111 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1v5x h PRO 111 CO 1.02 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.90 1v5x n GLU 112 N -2.50 0.02 0.13 1.05 2.13 -1.26 -1.47 120.64 118.75 1v5x n GLU 112 Ca -0.01 0.34 -0.02 0.00 0.66 0.00 0.00 57.16 58.14 1v5x n GLU 112 Cb 0.48 -1.55 0.14 0.00 0.27 0.00 0.00 31.44 30.77 1v5x n GLU 112 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 1v5x h TRP 113 N 0.00 0.00 0.00 4.31 6.55 -0.84 -1.67 115.95 124.30 1v5x h TRP 113 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1v5x h TRP 113 Cb 0.19 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.49 1v5x h TRP 113 CO 0.00 0.65 0.00 0.00 -1.05 0.00 0.00 178.44 178.04 1v5x n ALA 114 N -2.41 1.63 0.59 1.49 0.00 -0.54 0.79 120.51 122.06 1v5x n ALA 114 Ca -0.01 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.51 1v5x n ALA 114 Cb 0.65 -1.09 -0.09 0.00 0.00 0.00 0.00 19.45 18.92 1v5x n ALA 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1v5x n ASP 115 N -1.08 0.59 -4.75 0.00 10.43 -0.63 -4.92 116.55 116.19 1v5x n ASP 115 Ca 0.04 -0.47 -0.41 0.00 2.57 0.00 0.00 54.79 56.51 1v5x n ASP 115 Cb 0.03 1.21 -0.03 0.00 1.84 0.00 0.00 41.12 44.17 1v5x n ASP 115 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1v5x s TYR 116 N -3.20 3.16 -1.17 1.24 6.14 0.24 -4.91 117.35 118.84 1v5x s TYR 116 Ca 0.02 1.22 -0.21 0.00 0.64 0.00 0.00 57.07 58.74 1v5x s TYR 116 Cb 0.15 -3.67 -0.01 0.00 0.42 0.00 0.00 41.96 38.85 1v5x s TYR 116 CO 0.86 -2.06 1.81 -1.25 0.64 0.00 0.00 175.55 175.54 1v5x s PRO 117 N -0.55 3.18 -0.05 4.97 0.04 -1.26 -4.89 135.00 136.43 1v5x s PRO 117 Ca 0.56 -1.36 -0.14 0.00 0.04 0.00 0.00 61.00 60.09 1v5x s PRO 117 Cb -0.39 -5.34 0.03 0.00 0.04 0.00 0.00 34.50 28.84 1v5x s PRO 117 CO 0.43 -3.07 0.32 0.00 0.04 0.00 0.00 177.00 174.72 1v5x s ALA 118 N 7.71 -0.81 0.10 8.56 0.00 -1.26 -4.67 121.76 131.38 1v5x s ALA 118 Ca 0.61 0.53 0.34 0.00 0.00 0.00 0.00 51.96 53.43 1v5x s ALA 118 Cb 0.00 -0.12 1.39 0.00 0.00 0.00 0.00 23.12 24.40 1v5x s ALA 118 CO 0.07 -0.23 1.99 1.96 0.00 0.00 0.00 175.76 179.54 1v5x h GLN 119 N 4.38 0.00 -3.01 0.00 4.20 -0.74 -3.44 115.11 116.50 1v5x h GLN 119 Ca -0.29 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.29 1v5x h GLN 119 Cb 1.18 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.73 1v5x h GLN 119 CO 0.37 0.00 -0.32 0.00 -0.67 0.00 0.00 178.83 178.21 1v5x s ALA 120 N -3.67 -0.77 -0.18 3.87 0.00 -1.11 -4.56 121.76 115.33 1v5x s ALA 120 Ca 0.01 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 52.56 1v5x s ALA 120 Cb 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 1v5x s ALA 120 CO 0.53 -0.20 -0.10 -0.51 0.00 0.00 0.00 175.76 175.47 1v5x s LEU 121 N -0.57 2.67 -0.26 0.00 1.43 -0.90 -1.33 118.68 119.72 1v5x s LEU 121 Ca -0.07 -0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 52.51 1v5x s LEU 121 Cb -0.04 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 1v5x s LEU 121 CO 0.02 0.04 0.15 -0.22 0.23 0.00 0.00 176.35 176.58 1v5x s LEU 122 N 1.08 3.90 -0.80 1.79 0.20 0.06 -1.22 118.68 123.69 1v5x s LEU 122 Ca 0.00 -0.03 -0.18 0.00 0.69 0.00 0.00 54.13 54.61 1v5x s LEU 122 Cb -0.15 -2.07 0.14 0.00 -0.43 0.00 0.00 46.19 43.69 1v5x s LEU 122 CO -0.02 -0.02 0.91 -0.76 -0.29 0.00 0.00 176.35 176.17 1v5x s LEU 123 N 1.56 5.55 0.15 -0.68 1.43 -0.60 -1.34 118.68 124.76 1v5x s LEU 123 Ca 0.07 -2.00 0.04 0.00 -1.03 0.00 0.00 54.13 51.21 1v5x s LEU 123 Cb -0.15 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1v5x s LEU 123 CO 0.08 -0.97 0.18 -0.62 0.23 0.00 0.00 176.35 175.25 1v5x s ASP 124 N 3.25 5.78 1.17 2.29 2.15 -0.98 -2.84 116.67 127.48 1v5x s ASP 124 Ca 0.23 -0.02 -0.10 0.00 0.43 0.00 0.00 52.55 53.09 1v5x s ASP 124 Cb -0.12 -1.59 0.15 0.00 -0.30 0.00 0.00 42.92 41.06 1v5x s ASP 124 CO -0.04 0.08 0.41 0.61 -0.17 0.00 0.00 175.17 176.05 1v5x n GLY 125 N -0.32 -3.31 0.00 2.66 0.00 -1.26 -0.19 105.19 102.77 1v5x n GLY 125 Ca -0.08 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1v5x n GLY 125 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1v5x n LYS 126 N -3.34 0.00 -3.50 1.61 0.00 -1.26 -3.77 118.16 107.90 1v5x n LYS 126 Ca 0.06 0.81 -0.35 0.00 0.00 0.00 0.00 58.31 58.83 1v5x n LYS 126 Cb 0.25 -1.35 -0.06 0.00 0.00 0.00 0.00 35.03 33.88 1v5x n LYS 126 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1v5x s ARG 127 N -2.40 3.84 -0.27 1.64 3.00 -1.26 -4.74 118.95 118.76 1v5x s ARG 127 Ca 0.00 0.30 -0.29 0.00 0.00 0.00 0.00 55.73 55.74 1v5x s ARG 127 Cb 0.00 -3.00 0.01 0.00 0.00 0.00 0.00 34.95 31.96 1v5x s ARG 127 CO 0.00 0.55 1.10 -1.25 0.00 0.00 0.00 175.30 175.70 1v5x s PRO 128 N -1.84 4.15 -0.90 3.54 0.04 -1.26 -3.69 135.00 135.04 1v5x s PRO 128 Ca 0.33 1.25 -0.05 0.00 0.04 0.00 0.00 61.00 62.58 1v5x s PRO 128 Cb -0.15 -3.71 0.01 0.00 0.04 0.00 0.00 34.50 30.69 1v5x s PRO 128 CO 0.18 -0.80 0.63 0.41 0.04 0.00 0.00 177.00 177.47 1v5x n GLY 129 N 3.67 -0.02 0.54 0.56 0.00 -1.26 -4.91 105.19 103.77 1v5x n GLY 129 Ca 0.12 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1v5x n GLY 129 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v5x n SER 130 N -1.22 3.13 -0.78 1.61 3.41 -1.24 -4.97 113.62 113.55 1v5x n SER 130 Ca -0.02 -2.76 -0.07 0.00 -0.26 0.00 0.00 58.87 55.76 1v5x n SER 130 Cb 0.55 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 1v5x n SER 130 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v5x n GLY 131 N -0.57 0.71 3.63 5.00 0.00 -1.26 -4.91 105.19 107.78 1v5x n GLY 131 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1v5x n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v5x s GLU 132 N -2.30 4.13 0.00 1.61 0.41 -1.26 -4.49 118.70 116.80 1v5x s GLU 132 Ca 0.00 0.51 0.00 0.00 -0.41 0.00 0.00 54.97 55.07 1v5x s GLU 132 Cb 0.00 -3.63 0.00 0.00 -1.78 0.00 0.00 34.13 28.72 1v5x s GLU 132 CO 0.00 -0.35 0.00 0.00 -0.49 0.00 0.00 175.26 174.42 1v5x n ALA 133 N 5.48 0.00 -3.67 5.21 0.00 -1.26 -4.00 120.51 122.26 1v5x n ALA 133 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.43 1v5x n ALA 133 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 1v5x n ALA 133 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1v5x s TYR 134 N 0.08 -0.04 0.03 0.00 1.13 -1.26 -4.76 117.35 112.52 1v5x s TYR 134 Ca 0.00 -0.09 -0.30 0.00 -1.41 0.00 0.00 57.07 55.27 1v5x s TYR 134 Cb 0.00 0.56 -0.06 0.00 -1.10 0.00 0.00 41.96 41.36 1v5x s TYR 134 CO 0.00 -0.34 1.42 -1.25 -2.51 0.00 0.00 175.55 172.87 1v5x s PRO 135 N -2.45 4.29 0.44 -3.49 0.04 -1.26 -4.91 135.00 127.66 1v5x s PRO 135 Ca 0.16 2.02 0.29 0.00 0.04 0.00 0.00 61.00 63.51 1v5x s PRO 135 Cb 0.04 -3.50 1.39 0.00 0.04 0.00 0.00 34.50 32.47 1v5x s PRO 135 CO -0.03 -0.55 1.66 0.00 0.04 0.00 0.00 177.00 178.12 1v5x h ARG 136 N 7.63 0.13 -0.10 4.56 2.47 -2.00 -1.91 114.38 125.15 1v5x h ARG 136 Ca -0.39 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.26 1v5x h ARG 136 Cb 1.19 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.47 1v5x h ARG 136 CO 0.89 0.09 -0.22 0.00 0.56 0.00 0.00 179.97 181.30 1v5x h ALA 137 N 1.56 1.45 0.00 0.04 0.00 -2.00 -3.24 119.26 117.07 1v5x h ALA 137 Ca 0.77 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1v5x h ALA 137 Cb 2.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.13 1v5x h ALA 137 CO -0.35 0.39 0.18 0.91 0.00 0.00 0.00 179.25 180.38 1v5x n TRP 138 N -4.22 0.00 0.00 0.00 7.02 -0.72 -0.38 117.44 119.15 1v5x n TRP 138 Ca -0.01 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.53 1v5x n TRP 138 Cb 0.32 -0.17 -0.13 0.00 -2.42 0.00 0.00 31.31 28.91 1v5x n TRP 138 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1v5x n ALA 139 N -1.10 2.42 -0.41 6.99 0.00 -1.22 -3.21 120.51 123.98 1v5x n ALA 139 Ca 0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 53.44 52.73 1v5x n ALA 139 Cb 0.18 -0.75 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 1v5x n ALA 139 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1v5x n LYS 140 N -2.50 -0.43 -0.34 0.00 4.01 0.49 -1.12 118.16 118.27 1v5x n LYS 140 Ca -0.09 1.47 0.21 0.00 -0.51 0.00 0.00 58.31 59.38 1v5x n LYS 140 Cb 0.70 -2.16 0.44 0.00 -0.51 0.00 0.00 35.03 33.50 1v5x n LYS 140 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1v5x h PRO 141 N 0.00 0.46 0.16 1.97 0.13 -1.81 0.17 132.00 133.08 1v5x h PRO 141 Ca 0.15 -0.03 -0.27 0.00 -0.87 0.00 0.00 66.00 64.98 1v5x h PRO 141 Cb 0.40 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 31.44 1v5x h PRO 141 CO -0.91 0.31 -1.30 1.25 -0.23 0.00 0.00 178.00 177.12 1v5x h LEU 142 N 0.48 0.53 -1.24 1.56 5.85 -1.42 -3.30 115.31 117.77 1v5x h LEU 142 Ca 0.66 -0.91 0.09 0.00 0.84 0.00 0.00 57.88 58.56 1v5x h LEU 142 Cb 1.42 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 1v5x h LEU 142 CO -0.46 1.60 0.56 -0.07 -0.34 0.00 0.00 178.44 179.72 1v5x h LEU 143 N -0.18 0.78 -1.38 2.25 3.38 -0.47 -1.12 115.31 118.57 1v5x h LEU 143 Ca -0.25 0.02 0.13 0.00 0.09 0.00 0.00 57.88 57.86 1v5x h LEU 143 Cb 1.85 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 42.40 1v5x h LEU 143 CO 0.15 0.47 0.54 0.00 0.09 0.00 0.00 178.44 179.68 1v5x h ALA 144 N 1.56 1.87 0.00 1.53 0.00 -0.76 -1.33 119.26 122.14 1v5x h ALA 144 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1v5x h ALA 144 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1v5x h ALA 144 CO -0.16 -0.08 0.00 1.79 0.00 0.00 0.00 179.25 180.81 1v5x h THR 145 N 0.64 0.00 0.00 0.00 1.35 -1.29 -3.45 112.91 110.16 1v5x h THR 145 Ca 0.40 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 66.23 1v5x h THR 145 Cb 0.65 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1v5x h THR 145 CO -0.16 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.72 1v5x n GLY 146 N -1.15 2.05 3.75 5.82 0.00 -0.50 -5.02 105.19 110.14 1v5x n GLY 146 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1v5x n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1v5x s ARG 147 N -0.22 2.33 -0.06 1.61 1.81 -1.26 -4.91 118.95 118.24 1v5x s ARG 147 Ca 0.00 1.39 -0.30 0.00 -1.72 0.00 0.00 55.73 55.10 1v5x s ARG 147 Cb 0.00 -1.89 -0.05 0.00 -0.45 0.00 0.00 34.95 32.56 1v5x s ARG 147 CO 0.00 -1.62 1.53 1.03 -0.68 0.00 0.00 175.30 175.56 1v5x s ARG 148 N -4.40 4.21 -0.08 3.54 0.52 -1.26 -4.89 118.95 116.59 1v5x s ARG 148 Ca 0.66 2.05 0.04 0.00 -0.52 0.00 0.00 55.73 57.96 1v5x s ARG 148 Cb -0.21 -3.85 -0.01 0.00 0.52 0.00 0.00 34.95 31.39 1v5x s ARG 148 CO 0.49 -0.77 -0.19 0.08 0.02 0.00 0.00 175.30 174.92 1v5x s VAL 149 N 3.59 2.54 -0.23 3.52 1.01 -1.26 -2.12 120.40 127.46 1v5x s VAL 149 Ca 0.68 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 1v5x s VAL 149 Cb -0.31 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1v5x s VAL 149 CO 0.26 0.56 -0.02 -0.63 0.00 0.00 0.00 175.10 175.27 1v5x s ILE 150 N -0.10 3.52 -0.10 2.22 1.01 -0.36 -1.86 121.20 125.52 1v5x s ILE 150 Ca -0.04 -0.48 -0.19 0.00 0.00 0.00 0.00 60.65 59.94 1v5x s ILE 150 Cb -0.14 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1v5x s ILE 150 CO 0.04 0.38 0.52 -0.76 0.00 0.00 0.00 174.94 175.12 1v5x s LEU 151 N 1.49 4.30 0.00 2.97 1.43 -0.84 -1.56 118.68 126.47 1v5x s LEU 151 Ca 0.05 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 1v5x s LEU 151 Cb -0.15 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.30 1v5x s LEU 151 CO -0.02 -0.00 0.00 0.00 0.23 0.00 0.00 176.35 176.56 1v5x n ALA 152 N 3.58 0.00 -2.37 4.21 0.00 -1.13 -0.30 120.51 124.50 1v5x n ALA 152 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.38 1v5x n ALA 152 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1v5x n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1v5x n GLY 153 N 2.79 -3.84 4.09 0.00 0.00 -1.26 -4.41 105.19 102.57 1v5x n GLY 153 Ca 0.00 0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 1v5x n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v5x n GLY 154 N 0.48 -0.33 3.81 -0.02 0.00 -1.26 -4.39 105.19 103.48 1v5x n GLY 154 Ca 0.00 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1v5x n GLY 154 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1v5x s ILE 155 N -3.63 4.60 0.17 -0.61 1.01 -1.26 -4.73 121.20 116.73 1v5x s ILE 155 Ca 0.38 1.32 -0.11 0.00 0.00 0.00 0.00 60.65 62.23 1v5x s ILE 155 Cb -0.21 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1v5x s ILE 155 CO 0.91 0.38 0.34 0.00 0.00 0.00 0.00 174.94 176.56 1v5x s ALA 156 N -1.32 -0.27 0.52 9.38 0.00 -1.26 -3.51 121.76 125.30 1v5x s ALA 156 Ca 0.37 -0.68 0.38 0.00 0.00 0.00 0.00 51.96 52.03 1v5x s ALA 156 Cb -0.19 0.83 2.09 0.00 0.00 0.00 0.00 23.12 25.85 1v5x s ALA 156 CO 0.22 -0.68 2.17 -1.00 0.00 0.00 0.00 175.76 176.47 1v5x h PRO 157 N 2.47 0.00 0.39 0.00 0.13 -1.91 -3.15 132.00 129.92 1v5x h PRO 157 Ca -0.31 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1v5x h PRO 157 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1v5x h PRO 157 CO 0.46 0.00 -0.19 0.93 -0.23 0.00 0.00 178.00 178.97 1v5x h GLU 158 N 0.00 -0.50 -1.57 0.86 3.07 -1.96 -3.34 114.58 111.14 1v5x h GLU 158 Ca 0.00 0.03 -0.34 0.00 -0.50 0.00 0.00 59.36 58.55 1v5x h GLU 158 Cb 0.12 0.11 -0.14 0.00 -0.84 0.00 0.00 28.75 28.00 1v5x h GLU 158 CO 0.00 -0.33 0.41 0.27 -1.40 0.00 0.00 179.01 177.95 1v5x n ASN 159 N -4.20 6.47 -0.00 1.42 0.23 -1.19 -4.57 115.26 113.41 1v5x n ASN 159 Ca -0.06 -3.08 -0.13 0.00 -0.53 0.00 0.00 54.58 50.78 1v5x n ASN 159 Cb 0.21 -1.08 -0.10 0.00 -2.08 0.00 0.00 39.78 36.73 1v5x n ASN 159 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1v5x h LEU 160 N 2.68 -0.03 -1.36 -4.53 3.38 -1.68 -3.24 115.31 110.53 1v5x h LEU 160 Ca 0.30 -0.47 0.46 0.00 0.09 0.00 0.00 57.88 58.25 1v5x h LEU 160 Cb 0.90 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.53 1v5x h LEU 160 CO 0.77 0.47 0.89 -0.62 0.09 0.00 0.00 178.44 180.03 1v5x n GLU 161 N -4.87 -0.03 0.00 1.13 1.02 -1.26 -0.30 120.64 116.33 1v5x n GLU 161 Ca -0.09 1.14 0.00 0.00 -0.02 0.00 0.00 57.16 58.20 1v5x n GLU 161 Cb 0.26 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 1v5x n GLU 161 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1v5x n GLU 162 N -4.46 0.00 -0.36 3.49 1.02 -1.22 -2.01 120.64 117.11 1v5x n GLU 162 Ca 0.38 0.25 0.10 0.00 -0.02 0.00 0.00 57.16 57.87 1v5x n GLU 162 Cb 1.51 -1.12 0.28 0.00 -0.02 0.00 0.00 31.44 32.09 1v5x n GLU 162 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1v5x h VAL 163 N 0.00 0.83 -0.12 2.62 -1.51 -1.48 -0.23 116.25 116.36 1v5x h VAL 163 Ca 0.00 -0.30 -0.01 0.00 -1.23 0.00 0.00 66.70 65.16 1v5x h VAL 163 Cb 0.00 -0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 29.01 1v5x h VAL 163 CO 0.00 0.16 0.03 0.25 -1.23 0.00 0.00 177.57 176.79 1v5x h LEU 164 N 0.89 0.14 -0.24 4.19 5.85 -0.75 -2.60 115.31 122.79 1v5x h LEU 164 Ca 0.53 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.24 1v5x h LEU 164 Cb 0.68 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1v5x h LEU 164 CO -0.31 0.14 0.13 0.00 -0.34 0.00 0.00 178.44 178.06 1v5x h ALA 165 N 1.88 0.30 0.00 1.25 0.00 -0.40 -1.98 119.26 120.31 1v5x h ALA 165 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1v5x h ALA 165 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1v5x h ALA 165 CO -0.00 -0.17 0.21 -0.07 0.00 0.00 0.00 179.25 179.22 1v5x h LEU 166 N 0.28 0.00 -2.39 0.00 3.38 -1.48 -3.46 115.31 111.64 1v5x h LEU 166 Ca 0.08 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.66 1v5x h LEU 166 Cb 0.06 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.90 1v5x h LEU 166 CO -0.01 0.00 -0.88 0.54 0.09 0.00 0.00 178.44 178.18 1v5x n ARG 167 N -2.74 -3.11 -1.65 1.13 1.74 -0.75 -5.00 116.66 106.28 1v5x n ARG 167 Ca -0.02 0.60 -0.30 0.00 -0.77 0.00 0.00 57.85 57.36 1v5x n ARG 167 Cb 0.26 -4.90 0.20 0.00 -1.02 0.00 0.00 32.46 27.00 1v5x n ARG 167 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1v5x s PRO 168 N -5.73 0.13 0.11 5.56 0.04 -1.26 -4.99 135.00 128.86 1v5x s PRO 168 Ca 0.24 -0.26 -0.19 0.00 0.04 0.00 0.00 61.00 60.84 1v5x s PRO 168 Cb -0.07 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 1v5x s PRO 168 CO 0.82 -2.78 1.68 -0.92 0.04 0.00 0.00 177.00 175.84 1v5x h TYR 169 N -1.91 0.38 -3.16 0.56 3.20 -1.74 -3.47 116.97 110.83 1v5x h TYR 169 Ca -0.45 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.42 1v5x h TYR 169 Cb 1.26 -0.12 -0.08 0.00 1.54 0.00 0.00 36.73 39.34 1v5x h TYR 169 CO -1.35 0.36 0.13 0.00 -1.64 0.00 0.00 178.16 175.67 1v5x s ALA 170 N -5.71 -1.07 -0.01 1.82 0.00 -1.20 -4.12 121.76 111.48 1v5x s ALA 170 Ca -0.13 -0.27 0.05 0.00 0.00 0.00 0.00 51.96 51.61 1v5x s ALA 170 Cb 0.08 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 24.06 1v5x s ALA 170 CO 0.72 -0.93 -0.16 -0.51 0.00 0.00 0.00 175.76 174.88 1v5x s LEU 171 N -2.90 2.67 -0.14 0.00 1.43 0.12 -1.99 118.68 117.87 1v5x s LEU 171 Ca 0.11 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1v5x s LEU 171 Cb -0.03 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.64 1v5x s LEU 171 CO 0.03 0.31 -0.19 -0.62 0.23 0.00 0.00 176.35 176.10 1v5x s ASP 172 N -1.03 3.38 0.11 2.29 2.15 0.59 -1.40 116.67 122.77 1v5x s ASP 172 Ca 0.13 -0.53 0.09 0.00 0.43 0.00 0.00 52.55 52.67 1v5x s ASP 172 Cb -0.11 -1.50 -0.04 0.00 -0.30 0.00 0.00 42.92 40.98 1v5x s ASP 172 CO 0.03 0.09 -0.22 -0.76 -0.17 0.00 0.00 175.17 174.13 1v5x s LEU 173 N 0.77 2.31 0.00 -1.34 1.02 -0.42 -4.41 118.68 116.62 1v5x s LEU 173 Ca -0.07 -0.71 0.00 0.00 0.02 0.00 0.00 54.13 53.36 1v5x s LEU 173 Cb -0.16 -0.97 0.00 0.00 0.02 0.00 0.00 46.19 45.09 1v5x s LEU 173 CO -0.00 0.08 0.00 0.00 0.02 0.00 0.00 176.35 176.45 1v5x n ALA 174 N 0.99 0.75 -0.32 4.21 0.00 -1.26 -1.85 120.51 123.02 1v5x n ALA 174 Ca -0.19 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.31 1v5x n ALA 174 Cb 0.54 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.20 1v5x n ALA 174 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1v5x h SER 175 N 0.00 0.77 0.00 0.00 0.02 -1.94 -1.13 113.55 111.27 1v5x h SER 175 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1v5x h SER 175 Cb 0.00 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1v5x h SER 175 CO 0.00 0.41 0.18 0.61 -1.14 0.00 0.00 176.83 176.89 1v5x n GLY 176 N -1.33 -0.65 0.33 -3.77 0.00 -1.23 -1.45 105.19 97.09 1v5x n GLY 176 Ca 0.17 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.35 1v5x n GLY 176 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1v5x n VAL 177 N -1.99 0.84 -4.19 1.61 0.24 -0.45 -4.53 118.33 109.88 1v5x n VAL 177 Ca -0.01 -1.03 -0.27 0.00 -2.04 0.00 0.00 64.34 60.98 1v5x n VAL 177 Cb 0.20 0.18 -0.08 0.00 -1.47 0.00 0.00 33.84 32.67 1v5x n VAL 177 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1v5x s GLU 178 N -1.28 2.43 0.01 7.34 2.02 -0.53 -1.24 118.70 127.45 1v5x s GLU 178 Ca 0.15 -1.04 0.21 0.00 0.02 0.00 0.00 54.97 54.31 1v5x s GLU 178 Cb 0.13 -2.40 -0.23 0.00 0.10 0.00 0.00 34.13 31.73 1v5x s GLU 178 CO 0.01 0.48 0.59 -0.85 0.02 0.00 0.00 175.26 175.51 1v5x n GLU 179 N 0.06 0.65 -3.60 1.61 0.28 -0.53 -4.73 120.64 114.38 1v5x n GLU 179 Ca -0.10 -0.06 -0.11 0.00 -0.16 0.00 0.00 57.16 56.73 1v5x n GLU 179 Cb 0.54 -1.62 -0.04 0.00 1.43 0.00 0.00 31.44 31.75 1v5x n GLU 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1v5x s ALA 180 N -3.29 -1.09 -0.30 -1.84 0.00 -1.18 -5.04 121.76 109.02 1v5x s ALA 180 Ca -0.06 0.15 -0.28 0.00 0.00 0.00 0.00 51.96 51.77 1v5x s ALA 180 Cb 0.11 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 1v5x s ALA 180 CO 0.86 -0.62 2.07 -1.25 0.00 0.00 0.00 175.76 176.82 1v5x s PRO 181 N -3.47 3.08 0.00 0.00 0.04 -1.26 -1.10 135.00 132.29 1v5x s PRO 181 Ca 0.01 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1v5x s PRO 181 Cb 0.01 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1v5x s PRO 181 CO -0.10 -2.16 0.00 0.41 0.04 0.00 0.00 177.00 175.20 1v5x n GLY 182 N 5.66 0.48 3.13 0.56 0.00 -1.26 -4.82 105.19 108.94 1v5x n GLY 182 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 1v5x n GLY 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1v5x s VAL 183 N -2.00 1.74 0.26 1.61 1.01 -0.26 -4.42 120.40 118.34 1v5x s VAL 183 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 1v5x s VAL 183 Cb 0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1v5x s VAL 183 CO 0.00 0.49 0.47 -0.54 0.00 0.00 0.00 175.10 175.52 1v5x s LYS 184 N 0.68 3.55 -0.29 2.72 3.01 -1.26 -1.45 119.74 126.70 1v5x s LYS 184 Ca -0.12 -0.23 -0.08 0.00 -1.01 0.00 0.00 55.97 54.52 1v5x s LYS 184 Cb -0.16 -2.75 -0.01 0.00 -1.01 0.00 0.00 37.83 33.90 1v5x s LYS 184 CO 0.03 0.30 0.11 0.45 0.51 0.00 0.00 175.35 176.74 1v5x s SER 185 N -3.33 5.30 0.26 2.83 0.15 -0.37 -4.59 113.70 113.95 1v5x s SER 185 Ca 0.40 -0.46 -0.01 0.00 0.70 0.00 0.00 55.95 56.58 1v5x s SER 185 Cb -0.11 -1.94 0.50 0.00 -1.71 0.00 0.00 66.02 62.76 1v5x s SER 185 CO 0.30 -0.14 1.79 0.00 1.20 0.00 0.00 173.24 176.40 1v5x h ALA 186 N 8.28 1.30 0.07 5.45 0.00 -1.98 -0.78 119.26 131.60 1v5x h ALA 186 Ca -0.34 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1v5x h ALA 186 Cb 1.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1v5x h ALA 186 CO 0.60 0.03 -0.03 1.49 0.00 0.00 0.00 179.25 181.34 1v5x h GLU 187 N 0.75 -0.09 0.01 0.00 4.22 -1.96 0.49 114.58 118.01 1v5x h GLU 187 Ca 0.45 0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.93 1v5x h GLU 187 Cb 0.54 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1v5x h GLU 187 CO -0.31 0.15 -0.26 0.87 -2.18 0.00 0.00 179.01 177.28 1v5x h LYS 188 N -0.32 -0.39 -0.15 1.92 1.57 -1.71 -1.08 116.57 116.42 1v5x h LYS 188 Ca -0.01 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1v5x h LYS 188 Cb 0.27 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1v5x h LYS 188 CO 0.02 -0.26 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.42 1v5x h LEU 189 N -0.40 -0.46 -0.30 2.94 3.38 -1.14 -0.58 115.31 118.76 1v5x h LEU 189 Ca 0.06 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1v5x h LEU 189 Cb 0.48 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 1v5x h LEU 189 CO -0.22 -0.19 -0.50 -0.09 0.09 0.00 0.00 178.44 177.53 1v5x h ARG 190 N -0.17 -0.43 -0.20 1.13 9.65 -0.40 -1.32 114.38 122.64 1v5x h ARG 190 Ca 0.10 0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.04 1v5x h ARG 190 Cb 0.31 0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.96 1v5x h ARG 190 CO -0.25 -0.29 0.01 0.00 2.80 0.00 0.00 179.97 182.24 1v5x h ALA 191 N 0.04 0.18 -0.39 2.80 0.00 -0.95 0.46 119.26 121.40 1v5x h ALA 191 Ca 0.08 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1v5x h ALA 191 Cb 0.62 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1v5x h ALA 191 CO -0.52 -0.42 -0.44 1.25 0.00 0.00 0.00 179.25 179.12 1v5x h LEU 192 N 0.07 -1.48 -1.44 0.00 5.85 -0.41 1.05 115.31 118.96 1v5x h LEU 192 Ca 0.09 0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1v5x h LEU 192 Cb 0.11 0.61 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1v5x h LEU 192 CO -0.15 -0.29 0.00 -0.26 -0.34 0.00 0.00 178.44 177.40 1v5x h PHE 193 N -0.26 0.00 0.09 1.25 0.04 -1.10 -1.65 116.94 115.31 1v5x h PHE 193 Ca 0.07 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.62 1v5x h PHE 193 Cb 0.44 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.61 1v5x h PHE 193 CO -0.75 0.00 -0.92 0.00 -0.60 0.00 0.00 178.31 176.04 1v5x h ALA 194 N 2.09 -0.01 0.42 2.45 0.00 0.21 -3.24 119.26 121.18 1v5x h ALA 194 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1v5x h ALA 194 Cb 0.26 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1v5x h ALA 194 CO 0.00 0.49 -0.27 0.00 0.00 0.00 0.00 179.25 179.46 1v5x h ARG 195 N -0.04 -0.64 -0.22 0.00 2.47 0.18 -2.76 114.38 113.36 1v5x h ARG 195 Ca -0.14 0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.64 1v5x h ARG 195 Cb 1.65 0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 30.09 1v5x h ARG 195 CO 0.18 -0.43 -0.18 -0.07 0.56 0.00 0.00 179.97 180.02 1v5x h LEU 196 N -0.67 -0.64 -1.70 3.04 3.38 -1.45 0.20 115.31 117.47 1v5x h LEU 196 Ca -0.04 0.09 0.18 0.00 0.09 0.00 0.00 57.88 58.20 1v5x h LEU 196 Cb 0.56 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 1v5x h LEU 196 CO 0.04 -0.10 0.53 0.00 0.09 0.00 0.00 178.44 179.00 1v5x h ALA 197 N -0.72 2.32 0.00 1.53 0.00 -1.63 0.60 119.26 121.36 1v5x h ALA 197 Ca 0.04 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1v5x h ALA 197 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1v5x h ALA 197 CO -0.24 -0.55 -0.29 1.03 0.00 0.00 0.00 179.25 179.20 1v5x h SER 198 N 0.27 0.00 -1.59 0.00 0.87 -0.42 -2.28 113.55 110.40 1v5x h SER 198 Ca 0.39 0.00 -0.71 0.00 -1.23 0.00 0.00 61.79 60.24 1v5x h SER 198 Cb 1.11 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.76 1v5x h SER 198 CO -0.10 0.29 0.70 0.18 -0.53 0.00 0.00 176.83 177.37 1v5x n LEU 199 N -4.00 7.11 0.00 2.23 4.77 0.21 -5.09 117.00 122.23 1v5x n LEU 199 Ca -0.02 -4.73 0.01 0.00 -0.03 0.00 0.00 56.01 51.25 1v5x n LEU 199 Cb 0.36 -0.93 0.07 0.00 -2.33 0.00 0.00 43.42 40.58 1v5x n LEU 199 CO 0.37 1.76 0.31 -2.11 -1.33 0.00 0.00 177.39 176.38