#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v4x s THR 2 N 0.00 2.59 -0.04 4.28 -4.23 -1.26 -4.83 115.64 112.15 1v4x s THR 2 Ca 0.00 0.50 -0.29 0.00 -1.18 0.00 0.00 61.69 60.72 1v4x s THR 2 Cb 0.00 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.50 1v4x s THR 2 CO 0.00 0.08 0.94 -0.76 -0.54 0.00 0.00 174.62 174.34 1v4x s LEU 3 N -0.42 4.33 0.88 4.79 1.43 -1.26 -5.06 118.68 123.37 1v4x s LEU 3 Ca 0.60 1.55 -0.12 0.00 -1.03 0.00 0.00 54.13 55.12 1v4x s LEU 3 Cb -0.42 -3.49 0.12 0.00 0.03 0.00 0.00 46.19 42.43 1v4x s LEU 3 CO 0.44 -0.29 1.12 -0.94 0.23 0.00 0.00 176.35 176.91 1v4x s SER 4 N 1.01 3.76 0.20 2.29 1.04 -1.26 -4.85 113.70 115.89 1v4x s SER 4 Ca 0.49 1.13 -0.10 0.00 0.48 0.00 0.00 55.95 57.94 1v4x s SER 4 Cb -0.20 -1.78 0.14 0.00 0.10 0.00 0.00 66.02 64.29 1v4x s SER 4 CO 0.24 -2.41 1.84 0.44 0.98 0.00 0.00 173.24 174.33 1v4x h ASP 5 N -1.40 0.88 -0.43 7.02 3.45 -1.99 -0.88 116.42 123.08 1v4x h ASP 5 Ca -0.50 -0.06 0.09 0.00 0.43 0.00 0.00 57.03 56.99 1v4x h ASP 5 Cb 1.31 -0.22 -0.09 0.00 -0.56 0.00 0.00 39.33 39.77 1v4x h ASP 5 CO 0.60 0.68 -0.16 0.50 -1.57 0.00 0.00 179.24 179.30 1v4x h LYS 6 N 1.00 -0.07 -0.84 3.56 3.11 -1.99 -0.87 116.57 120.48 1v4x h LYS 6 Ca 0.26 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 58.15 1v4x h LYS 6 Cb -0.03 0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.16 1v4x h LYS 6 CO -0.05 -0.04 0.53 -0.44 -2.81 0.00 0.00 179.45 176.64 1v4x h ASP 7 N -0.07 0.86 -0.27 4.20 3.32 -1.65 0.66 116.42 123.47 1v4x h ASP 7 Ca 0.21 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.09 1v4x h ASP 7 Cb 0.39 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1v4x h ASP 7 CO -0.48 0.57 -0.52 0.11 -1.72 0.00 0.00 179.24 177.21 1v4x h LYS 8 N 1.00 0.83 0.00 3.56 1.57 -0.58 -0.48 116.57 122.47 1v4x h LYS 8 Ca 0.35 -0.53 -0.16 0.00 -1.87 0.00 0.00 60.65 58.43 1v4x h LYS 8 Cb 0.08 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1v4x h LYS 8 CO -0.14 1.16 -0.78 0.66 -0.57 0.00 0.00 179.45 179.78 1v4x h SER 9 N 0.59 0.00 -0.20 0.86 4.64 -0.88 -0.73 113.55 117.83 1v4x h SER 9 Ca 0.01 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1v4x h SER 9 Cb 1.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 1v4x h SER 9 CO 0.12 0.78 0.10 0.74 -0.87 0.00 0.00 176.83 177.69 1v4x h THR 10 N 0.00 0.99 -0.61 2.95 2.02 -0.75 -1.26 112.91 116.25 1v4x h THR 10 Ca -0.01 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 1v4x h THR 10 Cb 1.43 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 1v4x h THR 10 CO 0.10 0.04 0.01 0.58 0.37 0.00 0.00 175.52 176.62 1v4x h VAL 11 N 0.21 1.27 -0.44 3.16 2.07 -0.87 -1.66 116.25 119.98 1v4x h VAL 11 Ca 0.08 -1.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.36 1v4x h VAL 11 Cb 0.02 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1v4x h VAL 11 CO -0.06 0.42 -0.09 0.11 0.02 0.00 0.00 177.57 177.97 1v4x h LYS 12 N 0.98 0.83 -0.36 1.57 1.57 -1.00 0.25 116.57 120.42 1v4x h LYS 12 Ca 0.18 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1v4x h LYS 12 Cb 0.55 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1v4x h LYS 12 CO 0.03 0.94 0.09 0.00 -0.57 0.00 0.00 179.45 179.94 1v4x h ALA 13 N 0.87 0.47 -0.29 3.86 0.00 -1.14 0.11 119.26 123.14 1v4x h ALA 13 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1v4x h ALA 13 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1v4x h ALA 13 CO 0.04 0.14 0.16 1.25 0.00 0.00 0.00 179.25 180.84 1v4x h LEU 14 N 0.43 0.36 -0.86 0.00 5.85 -1.25 -2.62 115.31 117.22 1v4x h LEU 14 Ca 0.11 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1v4x h LEU 14 Cb 0.29 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1v4x h LEU 14 CO 0.00 0.35 0.53 -0.25 -0.34 0.00 0.00 178.44 178.73 1v4x h TRP 15 N 0.35 0.98 -0.89 1.25 2.91 -0.30 -0.63 115.95 119.61 1v4x h TRP 15 Ca 0.10 0.03 0.17 0.00 1.13 0.00 0.00 58.89 60.32 1v4x h TRP 15 Cb 0.06 -0.31 -0.07 0.00 -0.51 0.00 0.00 29.16 28.33 1v4x h TRP 15 CO -0.03 0.47 0.58 0.78 -1.03 0.00 0.00 178.44 179.21 1v4x h GLY 16 N 0.95 1.10 1.58 2.65 0.00 -0.50 0.67 103.07 109.52 1v4x h GLY 16 Ca 0.39 -0.26 -0.27 0.00 0.00 0.00 0.00 47.33 47.19 1v4x h GLY 16 CO -0.19 0.04 -1.20 0.50 0.00 0.00 0.00 176.54 175.70 1v4x h LYS 17 N 0.58 0.33 0.00 4.80 1.57 -0.82 -3.40 116.57 119.64 1v4x h LYS 17 Ca 0.46 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1v4x h LYS 17 Cb 0.89 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1v4x h LYS 17 CO -0.20 1.22 -1.34 0.44 -0.57 0.00 0.00 179.45 178.99 1v4x n ILE 18 N -3.60 0.00 0.27 1.86 -5.35 -0.40 -4.57 119.36 107.57 1v4x n ILE 18 Ca -0.09 -0.23 0.12 0.00 -0.27 0.00 0.00 62.75 62.29 1v4x n ILE 18 Cb 0.99 0.58 0.77 0.00 -1.74 0.00 0.00 39.64 40.24 1v4x n ILE 18 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1v4x h SER 19 N 0.00 0.00 0.65 7.28 4.64 -1.08 0.88 113.55 125.92 1v4x h SER 19 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1v4x h SER 19 Cb 0.65 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1v4x h SER 19 CO 0.00 0.06 -0.00 0.07 -0.87 0.00 0.00 176.83 176.09 1v4x h LYS 20 N 0.00 0.00 -0.23 4.77 5.09 -1.82 -2.30 116.57 122.07 1v4x h LYS 20 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 1v4x h LYS 20 Cb 0.14 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.46 1v4x h LYS 20 CO 0.01 0.00 -0.00 0.43 -2.09 0.00 0.00 179.45 177.80 1v4x n SER 21 N -3.09 3.63 -0.25 7.07 7.64 0.30 -4.74 113.62 124.19 1v4x n SER 21 Ca -0.01 -3.06 0.03 0.00 1.01 0.00 0.00 58.87 56.84 1v4x n SER 21 Cb 0.22 -0.54 0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1v4x n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1v4x h ALA 22 N 1.54 1.00 -0.45 -0.43 0.00 -1.40 -0.22 119.26 119.29 1v4x h ALA 22 Ca 0.01 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1v4x h ALA 22 Cb 1.40 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1v4x h ALA 22 CO 0.20 -0.15 0.28 -0.44 0.00 0.00 0.00 179.25 179.14 1v4x h ASP 23 N 0.50 0.54 -0.26 0.00 3.32 -1.85 -1.16 116.42 117.51 1v4x h ASP 23 Ca 0.38 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 57.20 1v4x h ASP 23 Cb 0.50 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1v4x h ASP 23 CO -0.34 0.43 -0.51 0.00 -1.72 0.00 0.00 179.24 177.10 1v4x h ALA 24 N 1.13 0.53 -0.23 3.45 0.00 -1.75 -1.70 119.26 120.69 1v4x h ALA 24 Ca 0.16 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1v4x h ALA 24 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1v4x h ALA 24 CO -0.03 0.68 0.04 0.82 0.00 0.00 0.00 179.25 180.76 1v4x h ILE 25 N 0.65 0.89 -0.24 0.00 2.04 -0.87 -2.23 117.51 117.76 1v4x h ILE 25 Ca 0.02 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1v4x h ILE 25 Cb 1.10 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1v4x h ILE 25 CO 0.11 0.02 0.15 1.23 0.00 0.00 0.00 178.15 179.66 1v4x h GLY 26 N 0.13 0.34 0.74 5.37 0.00 -1.12 0.47 103.07 109.00 1v4x h GLY 26 Ca 0.10 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.34 1v4x h GLY 26 CO -0.14 0.13 0.27 0.00 0.00 0.00 0.00 176.54 176.81 1v4x h ALA 27 N 1.06 0.67 -0.21 3.60 0.00 -1.29 0.28 119.26 123.37 1v4x h ALA 27 Ca 0.09 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 1v4x h ALA 27 Cb -0.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1v4x h ALA 27 CO -0.02 -0.06 -0.63 0.22 0.00 0.00 0.00 179.25 178.76 1v4x h ASP 28 N 0.53 0.92 -0.49 0.00 3.58 -1.22 -1.09 116.42 118.66 1v4x h ASP 28 Ca 0.23 -0.58 -0.12 0.00 0.42 0.00 0.00 57.03 56.98 1v4x h ASP 28 Cb 0.12 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 1v4x h ASP 28 CO -0.15 1.34 -0.16 0.00 -2.88 0.00 0.00 179.24 177.39 1v4x h ALA 29 N 0.60 0.68 -0.25 -0.78 0.00 -0.79 -0.40 119.26 118.33 1v4x h ALA 29 Ca -0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1v4x h ALA 29 Cb 1.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1v4x h ALA 29 CO 0.13 0.63 -0.12 1.25 0.00 0.00 0.00 179.25 181.14 1v4x h LEU 30 N 0.83 0.53 -1.15 0.00 5.85 -0.88 -0.57 115.31 119.92 1v4x h LEU 30 Ca 0.12 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.46 1v4x h LEU 30 Cb 0.73 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1v4x h LEU 30 CO 0.06 0.82 0.58 1.23 -0.34 0.00 0.00 178.44 180.79 1v4x h GLY 31 N 0.24 1.25 1.49 3.75 0.00 -1.09 -1.12 103.07 107.59 1v4x h GLY 31 Ca 0.05 -0.44 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 1v4x h GLY 31 CO 0.04 0.40 -0.60 3.21 0.00 0.00 0.00 176.54 179.59 1v4x h ARG 32 N 1.13 0.53 0.41 4.80 3.08 -0.85 -2.35 114.38 121.13 1v4x h ARG 32 Ca 0.34 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1v4x h ARG 32 Cb -0.03 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1v4x h ARG 32 CO -0.09 0.97 -0.31 1.98 -1.07 0.00 0.00 179.97 181.44 1v4x h MET 33 N 0.40 -0.70 -0.68 0.04 4.05 -0.56 0.18 114.93 117.66 1v4x h MET 33 Ca -0.00 0.05 0.13 0.00 -0.28 0.00 0.00 59.70 59.60 1v4x h MET 33 Cb 1.15 0.16 -0.09 0.00 -0.80 0.00 0.00 31.60 32.01 1v4x h MET 33 CO 0.11 -0.46 0.20 -0.07 0.23 0.00 0.00 176.91 176.92 1v4x h LEU 34 N -0.72 0.11 0.11 3.39 3.38 -1.25 -0.45 115.31 119.88 1v4x h LEU 34 Ca -0.04 0.12 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 1v4x h LEU 34 Cb 0.62 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1v4x h LEU 34 CO 0.00 0.04 -1.09 0.00 0.09 0.00 0.00 178.44 177.48 1v4x h ALA 35 N 1.53 0.07 0.00 1.53 0.00 -1.30 -3.01 119.26 118.08 1v4x h ALA 35 Ca 0.37 -0.91 -0.18 0.00 0.00 0.00 0.00 54.91 54.19 1v4x h ALA 35 Cb 0.57 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1v4x h ALA 35 CO -0.42 0.60 -0.87 0.28 0.00 0.00 0.00 179.25 178.84 1v4x h VAL 36 N -0.42 1.61 -2.28 0.00 2.07 -0.68 -3.36 116.25 113.19 1v4x h VAL 36 Ca -0.23 -2.94 -0.59 0.00 0.82 0.00 0.00 66.70 63.77 1v4x h VAL 36 Cb 1.64 2.59 -0.41 0.00 -1.52 0.00 0.00 31.29 33.59 1v4x h VAL 36 CO 0.07 0.84 -0.81 -1.22 0.02 0.00 0.00 177.57 176.47 1v4x n TYR 37 N -3.52 1.71 0.11 1.57 4.01 -0.18 -4.98 117.16 115.88 1v4x n TYR 37 Ca -0.01 -3.88 0.05 0.00 -0.16 0.00 0.00 57.90 53.91 1v4x n TYR 37 Cb 0.82 -0.40 0.28 0.00 -0.31 0.00 0.00 39.34 39.74 1v4x n TYR 37 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1v4x n PRO 38 N 1.43 0.07 -0.35 -0.72 -0.04 -1.14 -1.27 135.00 132.98 1v4x n PRO 38 Ca 0.26 0.54 0.25 0.00 -0.04 0.00 0.00 63.50 64.51 1v4x n PRO 38 Cb 0.45 -1.71 0.49 0.00 -0.04 0.00 0.00 33.50 32.69 1v4x n PRO 38 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1v4x h GLN 39 N 0.00 0.33 0.00 0.54 -0.00 -1.90 -1.77 115.11 112.30 1v4x h GLN 39 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1v4x h GLN 39 Cb 0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.43 1v4x h GLN 39 CO 0.00 0.22 0.00 0.25 -0.00 0.00 0.00 178.83 179.30 1v4x n THR 40 N -4.92 0.80 0.30 1.86 -2.24 -0.40 -2.80 114.28 106.88 1v4x n THR 40 Ca 0.31 0.17 0.18 0.00 -2.27 0.00 0.00 64.05 62.44 1v4x n THR 40 Cb 1.00 -1.09 0.85 0.00 -2.10 0.00 0.00 70.33 68.99 1v4x n THR 40 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1v4x h LYS 41 N 0.00 0.00 0.00 -0.78 1.57 -1.53 -2.81 116.57 113.03 1v4x h LYS 41 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1v4x h LYS 41 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1v4x h LYS 41 CO 0.00 0.00 -0.02 1.79 -0.57 0.00 0.00 179.45 180.65 1v4x h THR 42 N 0.00 0.08 -0.01 -0.16 1.35 -1.70 0.21 112.91 112.69 1v4x h THR 42 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1v4x h THR 42 Cb 0.26 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1v4x h THR 42 CO 0.00 0.02 -0.15 -1.22 -0.25 0.00 0.00 175.52 173.92 1v4x n TYR 43 N -3.16 0.00 -0.94 4.73 4.02 -1.06 -4.40 117.16 116.35 1v4x n TYR 43 Ca -0.01 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.95 1v4x n TYR 43 Cb 0.23 -0.11 0.09 0.00 -0.02 0.00 0.00 39.34 39.53 1v4x n TYR 43 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1v4x n PHE 44 N -0.58 0.00 0.25 -0.72 3.01 0.05 -4.79 117.46 114.69 1v4x n PHE 44 Ca 0.15 -0.76 0.12 0.00 1.01 0.00 0.00 57.45 57.97 1v4x n PHE 44 Cb 0.32 -0.11 0.59 0.00 -0.01 0.00 0.00 39.48 40.26 1v4x n PHE 44 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1v4x h SER 45 N 0.00 0.00 0.83 4.37 4.64 -1.75 -1.48 113.55 120.16 1v4x h SER 45 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1v4x h SER 45 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1v4x h SER 45 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1v4x n HIS 46 N -2.31 0.79 -3.51 4.77 -0.00 -1.26 -4.77 115.22 108.91 1v4x n HIS 46 Ca -0.00 0.30 -0.37 0.00 -0.00 0.00 0.00 57.72 57.64 1v4x n HIS 46 Cb 0.11 -0.98 -0.06 0.00 -0.00 0.00 0.00 29.99 29.05 1v4x n HIS 46 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1v4x s TRP 47 N -3.27 3.55 0.15 -1.40 0.51 -0.56 -5.01 118.94 112.91 1v4x s TRP 47 Ca 0.05 0.75 -0.16 0.00 -2.12 0.00 0.00 56.10 54.62 1v4x s TRP 47 Cb 0.10 -2.33 0.05 0.00 -0.81 0.00 0.00 33.47 30.48 1v4x s TRP 47 CO 0.42 0.37 1.75 -1.00 -0.51 0.00 0.00 176.95 177.98 1v4x h PRO 48 N 6.03 0.26 -3.47 4.98 0.13 -1.88 -3.42 132.00 134.63 1v4x h PRO 48 Ca -0.45 -0.02 -0.50 0.00 -0.87 0.00 0.00 66.00 64.16 1v4x h PRO 48 Cb 1.19 -0.06 -0.40 0.00 0.13 0.00 0.00 31.00 31.86 1v4x h PRO 48 CO 0.70 0.17 -0.76 0.34 -0.23 0.00 0.00 178.00 178.23 1v4x s ASP 49 N -5.36 2.76 0.00 1.44 3.68 -1.26 -4.98 116.67 112.95 1v4x s ASP 49 Ca -0.13 -0.76 0.22 0.00 2.13 0.00 0.00 52.55 54.02 1v4x s ASP 49 Cb 0.12 -0.53 0.52 0.00 -1.45 0.00 0.00 42.92 41.58 1v4x s ASP 49 CO 0.71 -0.31 1.45 0.23 0.13 0.00 0.00 175.17 177.38 1v4x n MET 50 N 5.09 2.60 -1.52 4.34 2.81 -1.26 -4.58 117.12 124.60 1v4x n MET 50 Ca -0.08 -2.45 -0.33 0.00 -1.81 0.00 0.00 57.70 53.03 1v4x n MET 50 Cb 0.48 -1.53 0.08 0.00 -0.71 0.00 0.00 33.22 31.53 1v4x n MET 50 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1v4x s SER 51 N -1.24 4.58 0.15 7.83 1.04 -1.26 -4.86 113.70 119.94 1v4x s SER 51 Ca 0.43 2.12 -0.34 0.00 0.48 0.00 0.00 55.95 58.64 1v4x s SER 51 Cb 0.24 -2.56 -0.14 0.00 0.10 0.00 0.00 66.02 63.65 1v4x s SER 51 CO 0.32 -1.99 1.55 -2.65 0.98 0.00 0.00 173.24 171.45 1v4x n PRO 52 N -2.75 2.05 -0.98 4.02 -0.02 -1.26 -2.15 135.00 133.91 1v4x n PRO 52 Ca 0.11 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1v4x n PRO 52 Cb 0.51 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1v4x n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1v4x n GLY 53 N 3.32 0.84 3.73 -1.23 0.00 -1.26 -5.04 105.19 105.55 1v4x n GLY 53 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1v4x n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v4x s SER 54 N -2.68 3.86 0.12 1.61 1.04 -0.91 -4.76 113.70 111.98 1v4x s SER 54 Ca 0.00 1.95 -0.28 0.00 0.48 0.00 0.00 55.95 58.10 1v4x s SER 54 Cb 0.00 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.53 1v4x s SER 54 CO 0.00 -2.47 1.61 1.23 0.98 0.00 0.00 173.24 174.59 1v4x h GLY 55 N -1.43 -0.59 1.29 7.32 0.00 -1.91 0.90 103.07 108.66 1v4x h GLY 55 Ca -0.44 0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1v4x h GLY 55 CO 0.48 -0.24 0.33 -2.55 0.00 0.00 0.00 176.54 174.55 1v4x h PRO 56 N -0.51 0.92 -0.16 4.80 0.11 -1.94 -0.93 132.00 134.29 1v4x h PRO 56 Ca 0.05 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 1v4x h PRO 56 Cb 0.58 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1v4x h PRO 56 CO -0.26 0.70 -0.01 0.28 -0.21 0.00 0.00 178.00 178.50 1v4x h VAL 57 N 0.92 1.26 -0.74 3.15 2.07 -1.68 -0.20 116.25 121.03 1v4x h VAL 57 Ca 0.23 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1v4x h VAL 57 Cb 0.08 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1v4x h VAL 57 CO -0.03 0.26 0.47 0.11 0.02 0.00 0.00 177.57 178.40 1v4x h LYS 58 N 0.03 0.89 -0.43 1.57 1.57 -0.73 0.96 116.57 120.42 1v4x h LYS 58 Ca 0.05 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1v4x h LYS 58 Cb 0.40 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1v4x h LYS 58 CO 0.01 0.59 0.04 0.00 -0.57 0.00 0.00 179.45 179.52 1v4x h ALA 59 N 1.31 0.58 -0.03 3.86 0.00 -0.82 -1.98 119.26 122.17 1v4x h ALA 59 Ca 0.29 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 1v4x h ALA 59 Cb 0.01 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1v4x h ALA 59 CO -0.11 0.33 -0.91 1.25 0.00 0.00 0.00 179.25 179.81 1v4x h HIS 60 N 0.58 0.79 -0.75 0.00 -0.00 -0.92 -2.81 115.15 112.04 1v4x h HIS 60 Ca 0.13 -0.40 0.11 0.00 -0.00 0.00 0.00 60.37 60.20 1v4x h HIS 60 Cb 0.43 -0.10 -0.08 0.00 -0.00 0.00 0.00 27.41 27.66 1v4x h HIS 60 CO 0.03 1.22 0.37 0.78 -0.00 0.00 0.00 177.93 180.33 1v4x h GLY 61 N 0.93 1.14 1.00 5.26 0.00 -0.70 -1.06 103.07 109.63 1v4x h GLY 61 Ca -0.08 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.03 1v4x h GLY 61 CO 0.17 0.03 0.35 1.70 0.00 0.00 0.00 176.54 178.79 1v4x h LYS 62 N 0.60 0.70 -0.48 4.80 3.64 -1.30 -1.70 116.57 122.83 1v4x h LYS 62 Ca 0.38 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1v4x h LYS 62 Cb 0.44 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1v4x h LYS 62 CO -0.30 0.46 0.31 0.87 -2.27 0.00 0.00 179.45 178.52 1v4x h LYS 63 N 0.72 0.62 -0.09 1.90 1.57 -1.20 -1.84 116.57 118.25 1v4x h LYS 63 Ca 0.20 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1v4x h LYS 63 Cb -0.08 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 1v4x h LYS 63 CO -0.04 0.41 0.05 0.28 -0.57 0.00 0.00 179.45 179.57 1v4x h VAL 64 N 0.64 1.11 -0.16 0.50 2.07 -1.00 -2.08 116.25 117.32 1v4x h VAL 64 Ca 0.18 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1v4x h VAL 64 Cb -0.06 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1v4x h VAL 64 CO -0.04 0.09 -0.09 0.24 0.02 0.00 0.00 177.57 177.79 1v4x h MET 65 N 0.04 0.25 -1.00 1.57 2.86 -1.27 0.03 114.93 117.40 1v4x h MET 65 Ca 0.03 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1v4x h MET 65 Cb 0.11 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 1v4x h MET 65 CO -0.00 0.35 0.66 0.78 1.06 0.00 0.00 176.91 179.75 1v4x h GLY 66 N 0.67 1.48 1.01 8.32 0.00 -1.08 0.21 103.07 113.68 1v4x h GLY 66 Ca 0.05 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 46.89 1v4x h GLY 66 CO 0.02 0.41 0.49 -1.33 0.00 0.00 0.00 176.54 176.12 1v4x h GLY 67 N 1.25 1.05 0.91 4.60 0.00 -0.34 -0.80 103.07 109.74 1v4x h GLY 67 Ca 0.41 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1v4x h GLY 67 CO -0.14 0.39 0.02 -2.08 0.00 0.00 0.00 176.54 174.73 1v4x h VAL 68 N 1.01 1.25 -0.61 4.60 2.07 -0.53 -0.67 116.25 123.37 1v4x h VAL 68 Ca 0.27 -0.93 0.12 0.00 0.82 0.00 0.00 66.70 66.99 1v4x h VAL 68 Cb -0.11 1.18 -0.10 0.00 -1.52 0.00 0.00 31.29 30.74 1v4x h VAL 68 CO -0.06 0.31 0.05 0.00 0.02 0.00 0.00 177.57 177.89 1v4x h ALA 69 N 0.87 0.66 -0.05 1.67 0.00 -0.54 -0.80 119.26 121.07 1v4x h ALA 69 Ca 0.10 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1v4x h ALA 69 Cb 0.42 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1v4x h ALA 69 CO 0.01 -0.37 0.04 1.25 0.00 0.00 0.00 179.25 180.18 1v4x h LEU 70 N 0.17 0.06 -0.83 0.00 5.85 -0.85 -2.23 115.31 117.48 1v4x h LEU 70 Ca 0.32 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.18 1v4x h LEU 70 Cb 0.52 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.43 1v4x h LEU 70 CO -0.48 0.06 0.40 0.00 -0.34 0.00 0.00 178.44 178.07 1v4x h ALA 71 N 1.01 1.24 -0.73 1.25 0.00 -0.61 0.96 119.26 122.39 1v4x h ALA 71 Ca 0.02 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1v4x h ALA 71 Cb 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1v4x h ALA 71 CO -0.00 -0.15 0.32 0.28 0.00 0.00 0.00 179.25 179.69 1v4x h VAL 72 N 0.55 1.24 -0.06 0.00 2.07 -0.88 0.49 116.25 119.66 1v4x h VAL 72 Ca 0.46 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 1v4x h VAL 72 Cb 0.70 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1v4x h VAL 72 CO -0.39 0.30 -0.40 -1.28 0.02 0.00 0.00 177.57 175.81 1v4x h SER 73 N 1.04 0.13 -0.67 0.57 0.87 -0.62 -2.94 113.55 111.93 1v4x h SER 73 Ca 0.25 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 1v4x h SER 73 Cb 0.17 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.02 1v4x h SER 73 CO -0.03 0.52 0.15 0.29 -0.53 0.00 0.00 176.83 177.24 1v4x n LYS 74 N -4.04 4.27 -0.00 2.24 4.76 0.21 -4.69 118.16 120.90 1v4x n LYS 74 Ca -0.02 -3.13 0.08 0.00 -2.87 0.00 0.00 58.31 52.37 1v4x n LYS 74 Cb 0.45 -2.24 0.49 0.00 -1.84 0.00 0.00 35.03 31.89 1v4x n LYS 74 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1v4x h ILE 75 N 3.27 1.00 0.00 -0.18 2.10 -0.73 -0.85 117.51 122.12 1v4x h ILE 75 Ca 0.15 -0.14 -0.03 0.00 1.08 0.00 0.00 64.86 65.92 1v4x h ILE 75 Cb 2.19 0.55 -0.00 0.00 -1.09 0.00 0.00 36.82 38.46 1v4x h ILE 75 CO 0.63 0.08 -0.12 0.44 -1.08 0.00 0.00 178.15 178.09 1v4x h ASP 76 N 0.41 0.00 -1.51 2.19 3.32 -1.87 -3.36 116.42 115.61 1v4x h ASP 76 Ca 0.19 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.89 1v4x h ASP 76 Cb 0.22 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.52 1v4x h ASP 76 CO -0.05 0.12 -0.72 -0.67 -1.72 0.00 0.00 179.24 176.21 1v4x n ASP 77 N -3.64 -2.07 0.15 6.45 -0.08 -0.37 -4.98 116.55 112.02 1v4x n ASP 77 Ca -0.02 -2.72 0.01 0.00 -1.51 0.00 0.00 54.79 50.55 1v4x n ASP 77 Cb 0.25 0.73 0.32 0.00 2.34 0.00 0.00 41.12 44.76 1v4x n ASP 77 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1v4x h LEU 78 N 5.10 0.10 0.17 -2.67 3.38 -1.60 -1.13 115.31 118.66 1v4x h LEU 78 Ca 0.13 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1v4x h LEU 78 Cb 1.01 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1v4x h LEU 78 CO 0.20 0.45 -0.11 0.74 0.09 0.00 0.00 178.44 179.81 1v4x h THR 79 N 0.08 0.76 -0.10 0.22 2.02 -1.92 -1.46 112.91 112.52 1v4x h THR 79 Ca 0.01 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1v4x h THR 79 Cb 0.67 0.76 0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1v4x h THR 79 CO 0.05 0.00 -0.46 0.74 0.37 0.00 0.00 175.52 176.22 1v4x h THR 80 N -0.28 1.38 -0.96 3.16 2.02 -1.93 -2.90 112.91 113.39 1v4x h THR 80 Ca -0.01 -1.80 0.13 0.00 0.77 0.00 0.00 66.41 65.51 1v4x h THR 80 Cb 0.24 2.21 -0.08 0.00 -1.74 0.00 0.00 68.15 68.77 1v4x h THR 80 CO 0.01 0.54 0.61 1.23 0.37 0.00 0.00 175.52 178.27 1v4x h GLY 81 N 0.07 1.48 -1.78 2.16 0.00 -1.10 -2.08 103.07 101.82 1v4x h GLY 81 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1v4x h GLY 81 CO 0.10 0.12 0.00 1.04 0.00 0.00 0.00 176.54 177.79 1v4x n LEU 82 N -4.61 3.54 -0.15 3.11 4.77 -0.56 -4.64 117.00 118.47 1v4x n LEU 82 Ca 0.19 -2.30 -0.03 0.00 -0.03 0.00 0.00 56.01 53.84 1v4x n LEU 82 Cb 0.42 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1v4x n LEU 82 CO 0.28 0.76 0.92 1.23 -1.33 0.00 0.00 177.39 179.24 1v4x h GLY 83 N 2.53 0.58 1.05 -0.72 0.00 -1.15 0.25 103.07 105.61 1v4x h GLY 83 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 1v4x h GLY 83 CO 0.09 -0.04 0.21 -0.55 0.00 0.00 0.00 176.54 176.24 1v4x h ASP 84 N 0.25 1.06 0.18 0.19 3.32 -1.82 -1.40 116.42 118.20 1v4x h ASP 84 Ca 0.23 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1v4x h ASP 84 Cb 0.29 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1v4x h ASP 84 CO -0.29 1.00 -0.40 -0.07 -1.72 0.00 0.00 179.24 177.76 1v4x h LEU 85 N 1.07 0.30 -0.41 1.55 3.38 -1.64 -1.90 115.31 117.66 1v4x h LEU 85 Ca 0.23 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1v4x h LEU 85 Cb 0.33 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1v4x h LEU 85 CO -0.00 0.68 0.19 -1.28 0.09 0.00 0.00 178.44 178.11 1v4x h SER 86 N 0.24 0.55 -0.59 -0.43 0.87 -0.30 -1.40 113.55 112.49 1v4x h SER 86 Ca 0.02 -0.14 0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1v4x h SER 86 Cb 0.82 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.58 1v4x h SER 86 CO 0.06 0.53 0.30 -0.08 -0.53 0.00 0.00 176.83 177.12 1v4x h GLU 87 N 0.52 0.55 -0.16 2.24 4.57 -0.95 0.29 114.58 121.64 1v4x h GLU 87 Ca 0.14 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 1v4x h GLU 87 Cb 0.13 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1v4x h GLU 87 CO -0.02 0.37 0.02 1.25 -1.18 0.00 0.00 179.01 179.45 1v4x h LEU 88 N 0.57 0.26 -1.11 1.64 5.85 -1.10 -1.70 115.31 119.72 1v4x h LEU 88 Ca 0.27 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1v4x h LEU 88 Cb 0.18 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1v4x h LEU 88 CO -0.18 0.46 -0.07 0.45 -0.34 0.00 0.00 178.44 178.76 1v4x h HIS 89 N 0.05 0.57 -0.25 1.25 3.86 -0.96 -1.80 115.15 117.87 1v4x h HIS 89 Ca 0.05 -0.08 -0.06 0.00 -1.16 0.00 0.00 60.37 59.12 1v4x h HIS 89 Cb 0.31 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1v4x h HIS 89 CO 0.02 0.60 -0.08 0.00 0.86 0.00 0.00 177.93 179.33 1v4x h ALA 90 N 1.42 0.35 0.00 2.45 0.00 -0.25 0.20 119.26 123.44 1v4x h ALA 90 Ca 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1v4x h ALA 90 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1v4x h ALA 90 CO 0.02 0.18 -1.24 1.19 0.00 0.00 0.00 179.25 179.40 1v4x n PHE 91 N -4.52 0.00 0.00 0.00 3.72 -0.65 -4.21 117.46 111.79 1v4x n PHE 91 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1v4x n PHE 91 Cb 0.32 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1v4x n PHE 91 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1v4x n LYS 92 N -1.80 0.00 0.11 -1.08 4.81 -0.69 -4.71 118.16 114.80 1v4x n LYS 92 Ca -0.03 0.14 -0.02 0.00 -0.87 0.00 0.00 58.31 57.54 1v4x n LYS 92 Cb 0.26 -0.60 -0.00 0.00 0.02 0.00 0.00 35.03 34.70 1v4x n LYS 92 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 1v4x h MET 93 N 0.00 0.00 -6.27 1.64 2.86 -1.67 -3.48 114.93 108.00 1v4x h MET 93 Ca 0.00 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.19 1v4x h MET 93 Cb 0.00 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.68 1v4x h MET 93 CO 0.00 0.73 -0.88 0.54 1.06 0.00 0.00 176.91 178.36 1v4x n ARG 94 N -3.35 -3.39 -2.09 1.72 1.74 0.68 -4.91 116.66 107.06 1v4x n ARG 94 Ca 0.01 0.50 -0.43 0.00 -0.77 0.00 0.00 57.85 57.16 1v4x n ARG 94 Cb 0.80 -4.69 -0.03 0.00 -1.02 0.00 0.00 32.46 27.52 1v4x n ARG 94 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1v4x s VAL 95 N -3.74 3.68 -0.34 1.55 1.01 -1.10 -4.94 120.40 116.52 1v4x s VAL 95 Ca 0.11 0.78 -0.41 0.00 0.00 0.00 0.00 61.98 62.45 1v4x s VAL 95 Cb -0.04 -3.65 -0.16 0.00 0.00 0.00 0.00 36.38 32.53 1v4x s VAL 95 CO 0.85 -0.23 1.75 -0.67 0.00 0.00 0.00 175.10 176.80 1v4x n ASP 96 N 8.17 2.11 0.27 3.32 -0.08 -1.26 -4.81 116.55 124.28 1v4x n ASP 96 Ca 0.19 1.06 0.16 0.00 -1.51 0.00 0.00 54.79 54.68 1v4x n ASP 96 Cb 0.45 -1.09 0.83 0.00 2.34 0.00 0.00 41.12 43.65 1v4x n ASP 96 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1v4x h PRO 97 N 7.03 0.00 -0.43 -0.67 0.11 -1.99 -0.45 132.00 135.60 1v4x h PRO 97 Ca -0.44 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.78 1v4x h PRO 97 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 1v4x h PRO 97 CO 0.97 0.00 0.30 0.66 -0.21 0.00 0.00 178.00 179.73 1v4x h SER 98 N 0.00 0.03 0.51 -2.05 4.64 -2.01 -1.89 113.55 112.78 1v4x h SER 98 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1v4x h SER 98 Cb 0.27 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1v4x h SER 98 CO 0.00 0.02 -0.15 0.78 -0.87 0.00 0.00 176.83 176.61 1v4x h ASN 99 N 0.04 0.00 -0.52 4.97 2.35 -1.43 -3.19 115.58 117.80 1v4x h ASN 99 Ca 0.20 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 1v4x h ASN 99 Cb 0.76 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 1v4x h ASN 99 CO -0.01 0.15 0.30 -0.26 -1.65 0.00 0.00 177.43 175.96 1v4x h PHE 100 N 0.00 0.69 -0.89 1.19 0.05 -1.54 -2.10 116.94 114.35 1v4x h PHE 100 Ca -0.00 -0.01 0.02 0.00 3.82 0.00 0.00 57.97 61.80 1v4x h PHE 100 Cb 0.44 -0.22 -0.05 0.00 2.00 0.00 0.00 35.95 38.12 1v4x h PHE 100 CO 0.00 0.49 0.59 0.87 -0.18 0.00 0.00 178.31 180.08 1v4x h LYS 101 N 0.69 1.15 -0.15 1.51 1.57 -1.69 -0.08 116.57 119.57 1v4x h LYS 101 Ca 0.18 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1v4x h LYS 101 Cb 0.01 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1v4x h LYS 101 CO -0.03 0.76 0.03 0.82 -0.57 0.00 0.00 179.45 180.46 1v4x h ILE 102 N 1.18 1.20 -0.52 1.86 2.04 -1.48 -0.72 117.51 121.07 1v4x h ILE 102 Ca 0.33 -0.65 -0.11 0.00 1.00 0.00 0.00 64.86 65.44 1v4x h ILE 102 Cb -0.10 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1v4x h ILE 102 CO -0.08 0.19 -0.10 0.25 0.00 0.00 0.00 178.15 178.41 1v4x h LEU 103 N 0.04 0.96 -0.26 1.44 5.85 -1.21 -0.72 115.31 121.41 1v4x h LEU 103 Ca 0.05 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1v4x h LEU 103 Cb 0.27 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1v4x h LEU 103 CO 0.00 1.07 0.05 0.28 -0.34 0.00 0.00 178.44 179.51 1v4x h SER 104 N 0.86 0.02 -0.66 1.25 0.02 -0.90 0.31 113.55 114.46 1v4x h SER 104 Ca 0.14 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1v4x h SER 104 Cb 0.65 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.19 1v4x h SER 104 CO 0.04 0.04 0.39 -0.74 -1.14 0.00 0.00 176.83 175.43 1v4x h HIS 105 N 0.15 0.73 -0.46 3.45 -0.00 -0.68 -1.60 115.15 116.74 1v4x h HIS 105 Ca 0.12 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.47 1v4x h HIS 105 Cb 0.12 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 1v4x h HIS 105 CO -0.16 0.39 0.11 0.00 -0.00 0.00 0.00 177.93 178.28 1v4x h ILE 107 N 0.67 1.22 -0.53 0.00 2.04 0.08 -1.04 117.51 119.95 1v4x h ILE 107 Ca 0.15 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1v4x h ILE 107 Cb 0.26 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1v4x h ILE 107 CO -0.00 0.25 0.20 -0.07 0.00 0.00 0.00 178.15 178.53 1v4x h LEU 108 N 0.53 0.75 -0.67 1.44 3.38 -0.82 0.26 115.31 120.18 1v4x h LEU 108 Ca 0.13 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1v4x h LEU 108 Cb 0.26 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1v4x h LEU 108 CO -0.00 0.73 0.42 0.58 0.09 0.00 0.00 178.44 180.25 1v4x h VAL 109 N 0.72 1.10 -0.32 1.22 2.07 -1.23 -0.62 116.25 119.20 1v4x h VAL 109 Ca 0.18 -0.28 -0.13 0.00 0.82 0.00 0.00 66.70 67.28 1v4x h VAL 109 Cb 0.22 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1v4x h VAL 109 CO -0.01 0.15 -0.33 0.58 0.02 0.00 0.00 177.57 177.98 1v4x h VAL 110 N 0.83 1.28 -0.73 2.57 2.07 -0.81 -1.16 116.25 120.30 1v4x h VAL 110 Ca 0.26 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 1v4x h VAL 110 Cb -0.00 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1v4x h VAL 110 CO -0.10 0.48 0.45 0.58 0.02 0.00 0.00 177.57 179.00 1v4x h VAL 111 N 0.58 1.20 -0.49 2.57 2.07 -0.78 -0.42 116.25 120.97 1v4x h VAL 111 Ca 0.06 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 1v4x h VAL 111 Cb 0.84 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1v4x h VAL 111 CO 0.07 0.20 -0.15 0.00 0.02 0.00 0.00 177.57 177.71 1v4x h ALA 112 N 1.24 0.68 -0.87 1.67 0.00 -0.87 0.93 119.26 122.05 1v4x h ALA 112 Ca 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1v4x h ALA 112 Cb -0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1v4x h ALA 112 CO -0.05 0.62 0.49 -0.22 0.00 0.00 0.00 179.25 180.09 1v4x h LYS 113 N 0.83 1.20 0.00 0.00 3.64 -0.98 -2.88 116.57 118.38 1v4x h LYS 113 Ca 0.12 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1v4x h LYS 113 Cb 0.72 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1v4x h LYS 113 CO 0.06 0.87 -1.33 -1.33 -2.27 0.00 0.00 179.45 175.44 1v4x n MET 114 N -4.38 0.62 -3.06 1.90 2.81 -0.19 -4.48 117.12 110.34 1v4x n MET 114 Ca 0.09 0.16 -0.18 0.00 -1.81 0.00 0.00 57.70 55.96 1v4x n MET 114 Cb 0.08 -1.79 -0.02 0.00 -0.71 0.00 0.00 33.22 30.78 1v4x n MET 114 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1v4x n PHE 115 N -2.77 0.90 -0.02 2.03 3.72 0.30 -4.98 117.46 116.63 1v4x n PHE 115 Ca -0.07 -3.67 -0.00 0.00 -0.05 0.00 0.00 57.45 53.66 1v4x n PHE 115 Cb 0.73 -0.41 0.29 0.00 -0.94 0.00 0.00 39.48 39.15 1v4x n PHE 115 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1v4x h PRO 116 N 2.99 0.58 -0.28 -1.08 0.13 -1.68 -1.92 132.00 130.73 1v4x h PRO 116 Ca 0.08 -0.11 -0.15 0.00 -0.87 0.00 0.00 66.00 64.94 1v4x h PRO 116 Cb 0.94 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1v4x h PRO 116 CO 0.55 0.57 -0.44 0.87 -0.23 0.00 0.00 178.00 179.32 1v4x h LYS 117 N 0.56 0.72 0.00 0.86 1.57 -1.93 -3.19 116.57 115.16 1v4x h LYS 117 Ca 0.12 -0.39 -0.12 0.00 -1.87 0.00 0.00 60.65 58.40 1v4x h LYS 117 Cb 0.29 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1v4x h LYS 117 CO 0.00 1.01 -0.61 0.93 -0.57 0.00 0.00 179.45 180.22 1v4x h GLU 118 N 0.58 0.00 -3.23 3.15 3.07 -1.91 -3.38 114.58 112.86 1v4x h GLU 118 Ca 0.04 0.00 -0.76 0.00 -0.50 0.00 0.00 59.36 58.14 1v4x h GLU 118 Cb 0.99 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 28.72 1v4x h GLU 118 CO 0.09 0.51 1.86 0.34 -1.40 0.00 0.00 179.01 180.41 1v4x n PHE 119 N -3.20 2.75 -1.40 4.33 -0.00 -0.74 -4.76 117.46 114.43 1v4x n PHE 119 Ca 0.01 -2.75 -0.29 0.00 -0.00 0.00 0.00 57.45 54.42 1v4x n PHE 119 Cb 0.75 -1.80 0.13 0.00 -0.00 0.00 0.00 39.48 38.57 1v4x n PHE 119 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1v4x s THR 120 N -0.50 2.50 0.30 -2.13 -4.23 -1.26 -4.80 115.64 105.52 1v4x s THR 120 Ca 0.40 0.16 0.03 0.00 -1.18 0.00 0.00 61.69 61.10 1v4x s THR 120 Cb 0.11 -2.80 0.29 0.00 1.34 0.00 0.00 72.50 71.43 1v4x s THR 120 CO 0.00 -0.21 1.85 -0.65 -0.54 0.00 0.00 174.62 175.07 1v4x h PRO 121 N -1.45 0.92 -0.73 3.99 0.11 -1.98 -0.45 132.00 132.41 1v4x h PRO 121 Ca -0.50 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 1v4x h PRO 121 Cb 1.30 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1v4x h PRO 121 CO 0.59 0.61 0.38 0.22 -0.21 0.00 0.00 178.00 179.59 1v4x h ASP 122 N 0.95 0.93 -0.72 -2.05 3.58 -1.96 0.71 116.42 117.86 1v4x h ASP 122 Ca 0.47 -0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.77 1v4x h ASP 122 Cb 0.48 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 1v4x h ASP 122 CO -0.23 0.78 0.30 0.00 -2.88 0.00 0.00 179.24 177.21 1v4x h ALA 123 N 1.19 0.93 -0.36 -0.78 0.00 -1.72 -3.12 119.26 115.41 1v4x h ALA 123 Ca 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1v4x h ALA 123 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1v4x h ALA 123 CO -0.04 0.54 0.09 1.25 0.00 0.00 0.00 179.25 181.09 1v4x h HIS 124 N 1.02 0.61 -0.66 0.00 -0.00 -0.46 0.37 115.15 116.02 1v4x h HIS 124 Ca 0.24 -0.07 -0.04 0.00 -0.00 0.00 0.00 60.37 60.50 1v4x h HIS 124 Cb 0.18 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.40 1v4x h HIS 124 CO 0.01 0.61 0.26 -0.24 -0.00 0.00 0.00 177.93 178.57 1v4x h VAL 125 N 0.43 1.24 -0.15 5.26 3.04 -0.89 0.25 116.25 125.44 1v4x h VAL 125 Ca 0.11 -0.76 -0.21 0.00 -1.01 0.00 0.00 66.70 64.83 1v4x h VAL 125 Cb 0.30 0.50 0.01 0.00 -2.01 0.00 0.00 31.29 30.09 1v4x h VAL 125 CO 0.00 0.30 -0.75 0.28 -1.01 0.00 0.00 177.57 176.39 1v4x h SER 126 N 0.94 0.91 -0.28 3.17 0.02 -1.43 -1.84 113.55 115.03 1v4x h SER 126 Ca 0.22 -0.63 -0.07 0.00 -0.84 0.00 0.00 61.79 60.46 1v4x h SER 126 Cb 0.21 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1v4x h SER 126 CO -0.02 1.39 -0.06 0.25 -1.14 0.00 0.00 176.83 177.25 1v4x h LEU 127 N 0.48 0.64 -0.51 5.07 5.85 -0.71 0.13 115.31 126.27 1v4x h LEU 127 Ca -0.05 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1v4x h LEU 127 Cb 1.38 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1v4x h LEU 127 CO 0.15 0.75 0.22 -0.78 -0.34 0.00 0.00 178.44 178.45 1v4x h ASP 128 N 0.62 0.68 -0.29 1.25 -0.00 -0.34 -0.04 116.42 118.29 1v4x h ASP 128 Ca 0.12 -0.15 -0.02 0.00 -0.00 0.00 0.00 57.03 56.98 1v4x h ASP 128 Cb 0.48 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.62 1v4x h ASP 128 CO 0.03 0.64 0.12 0.11 -0.00 0.00 0.00 179.24 180.14 1v4x h LYS 129 N 0.67 0.44 -0.45 0.28 1.57 -1.18 -1.52 116.57 116.37 1v4x h LYS 129 Ca 0.17 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1v4x h LYS 129 Cb 0.16 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1v4x h LYS 129 CO -0.02 0.45 0.22 0.35 -0.57 0.00 0.00 179.45 179.88 1v4x h PHE 130 N 0.33 0.40 0.00 -1.35 3.04 -0.36 -1.43 116.94 117.57 1v4x h PHE 130 Ca 0.10 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.99 1v4x h PHE 130 Cb 0.17 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 1v4x h PHE 130 CO -0.01 0.20 -0.37 -0.07 -2.02 0.00 0.00 178.31 176.04 1v4x h LEU 131 N 0.44 0.00 -0.55 0.59 3.38 -0.78 1.00 115.31 119.38 1v4x h LEU 131 Ca 0.20 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 1v4x h LEU 131 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1v4x h LEU 131 CO -0.15 0.37 -0.33 0.00 0.09 0.00 0.00 178.44 178.43 1v4x h ALA 132 N 1.63 0.74 -0.58 1.53 0.00 -0.88 0.13 119.26 121.83 1v4x h ALA 132 Ca -0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1v4x h ALA 132 Cb 0.70 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1v4x h ALA 132 CO 0.05 0.66 0.08 0.77 0.00 0.00 0.00 179.25 180.80 1v4x h SER 133 N 0.68 0.95 -0.15 0.00 0.02 -0.62 0.02 113.55 114.44 1v4x h SER 133 Ca 0.07 -0.27 0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1v4x h SER 133 Cb 0.87 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1v4x h SER 133 CO 0.08 0.98 -0.05 0.58 -1.14 0.00 0.00 176.83 177.27 1v4x h VAL 134 N 0.88 0.81 -0.59 2.27 2.07 -0.56 0.30 116.25 121.43 1v4x h VAL 134 Ca 0.18 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 1v4x h VAL 134 Cb 0.45 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1v4x h VAL 134 CO 0.02 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.93 1v4x h ALA 135 N 1.12 0.76 -0.43 1.67 0.00 -0.78 0.28 119.26 121.89 1v4x h ALA 135 Ca 0.08 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1v4x h ALA 135 Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1v4x h ALA 135 CO -0.17 0.02 0.02 1.25 0.00 0.00 0.00 179.25 180.36 1v4x h LEU 136 N 0.63 0.72 -0.76 0.00 5.85 -0.64 -0.83 115.31 120.28 1v4x h LEU 136 Ca 0.25 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1v4x h LEU 136 Cb 0.11 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1v4x h LEU 136 CO -0.15 0.84 0.50 0.00 -0.34 0.00 0.00 178.44 179.29 1v4x h ALA 137 N 0.91 0.97 -0.54 1.25 0.00 0.28 -2.31 119.26 119.83 1v4x h ALA 137 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1v4x h ALA 137 Cb 0.46 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1v4x h ALA 137 CO 0.02 0.39 0.23 -0.07 0.00 0.00 0.00 179.25 179.82 1v4x h LEU 138 N 1.04 0.69 0.00 0.00 3.38 -0.23 -2.74 115.31 117.44 1v4x h LEU 138 Ca 0.28 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1v4x h LEU 138 Cb -0.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1v4x h LEU 138 CO -0.06 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.08 1v4x n ALA 139 N -2.46 1.94 -0.31 1.53 0.00 -0.34 -4.23 120.51 116.64 1v4x n ALA 139 Ca 0.04 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.42 1v4x n ALA 139 Cb 0.15 -1.32 0.14 0.00 0.00 0.00 0.00 19.45 18.42 1v4x n ALA 139 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1v4x h GLU 140 N 0.00 0.92 -0.18 0.00 4.39 -1.23 -2.62 114.58 115.85 1v4x h GLU 140 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1v4x h GLU 140 Cb 0.32 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1v4x h GLU 140 CO 0.00 0.61 0.00 0.54 -1.16 0.00 0.00 179.01 179.00 1v4x n ARG 141 N -4.64 1.77 -0.01 2.33 5.12 -1.26 -4.35 116.66 115.62 1v4x n ARG 141 Ca 0.12 -1.16 -0.12 0.00 -1.93 0.00 0.00 57.85 54.76 1v4x n ARG 141 Cb 0.19 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 1v4x n ARG 141 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1v4x h TYR 142 N 2.32 0.85 0.00 -1.55 -1.99 -1.76 -3.47 116.97 111.37 1v4x h TYR 142 Ca 0.00 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.40 1v4x h TYR 142 Cb 0.51 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.09 1v4x h TYR 142 CO 0.11 1.11 0.00 2.89 -0.00 0.00 0.00 178.16 182.28