#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v4w n THR 2 N 0.00 1.08 -2.94 4.28 -1.04 -1.26 -4.81 114.28 109.60 1v4w n THR 2 Ca 0.00 -0.27 -0.40 0.00 -2.04 0.00 0.00 64.05 61.34 1v4w n THR 2 Cb 0.00 -1.50 -0.05 0.00 -1.82 0.00 0.00 70.33 66.97 1v4w n THR 2 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1v4w s LEU 3 N -0.05 4.42 0.78 -4.42 1.43 -1.26 -5.07 118.68 114.51 1v4w s LEU 3 Ca 0.66 1.45 -0.10 0.00 -1.03 0.00 0.00 54.13 55.11 1v4w s LEU 3 Cb -0.64 -3.28 0.07 0.00 0.03 0.00 0.00 46.19 42.38 1v4w s LEU 3 CO 0.51 -0.06 1.13 -0.94 0.23 0.00 0.00 176.35 177.23 1v4w s SER 4 N 0.26 4.60 0.36 2.29 1.04 -1.26 -4.87 113.70 116.13 1v4w s SER 4 Ca 0.41 0.69 0.04 0.00 0.48 0.00 0.00 55.95 57.57 1v4w s SER 4 Cb -0.20 -1.22 0.69 0.00 0.10 0.00 0.00 66.02 65.38 1v4w s SER 4 CO 0.23 -1.82 1.98 0.44 0.98 0.00 0.00 173.24 175.05 1v4w h ASP 5 N -0.92 0.58 -0.48 7.02 3.32 -1.99 -1.08 116.42 122.86 1v4w h ASP 5 Ca -0.46 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 1v4w h ASP 5 Cb 1.33 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 1v4w h ASP 5 CO 0.64 0.49 0.26 0.50 -1.72 0.00 0.00 179.24 179.42 1v4w h LYS 6 N 0.65 0.67 -0.31 3.56 3.11 -1.99 -0.34 116.57 121.92 1v4w h LYS 6 Ca 0.17 -0.08 0.02 0.00 -2.81 0.00 0.00 60.65 57.95 1v4w h LYS 6 Cb 0.06 -0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 31.13 1v4w h LYS 6 CO -0.02 0.52 0.16 -0.44 -2.81 0.00 0.00 179.45 176.86 1v4w h ASP 7 N 0.63 0.23 -0.42 4.20 3.32 -1.78 0.17 116.42 122.78 1v4w h ASP 7 Ca 0.17 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 1v4w h ASP 7 Cb 0.05 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1v4w h ASP 7 CO -0.03 0.17 0.05 0.11 -1.72 0.00 0.00 179.24 177.82 1v4w h LYS 8 N 0.32 0.71 -0.66 3.56 1.57 -0.95 -0.54 116.57 120.59 1v4w h LYS 8 Ca 0.13 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1v4w h LYS 8 Cb 0.04 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1v4w h LYS 8 CO -0.09 0.76 0.24 0.77 -0.57 0.00 0.00 179.45 180.56 1v4w h SER 9 N 0.55 0.91 -0.24 0.86 0.02 -0.83 -0.64 113.55 114.17 1v4w h SER 9 Ca 0.12 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1v4w h SER 9 Cb 0.41 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1v4w h SER 9 CO 0.01 0.83 -0.00 0.74 -1.14 0.00 0.00 176.83 177.27 1v4w h THR 10 N 0.96 1.26 -0.49 -2.27 2.02 -0.65 -0.17 112.91 113.57 1v4w h THR 10 Ca 0.22 -0.90 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 1v4w h THR 10 Cb 0.22 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1v4w h THR 10 CO -0.02 0.28 0.17 0.58 0.37 0.00 0.00 175.52 176.90 1v4w h VAL 11 N 0.20 1.22 -0.74 3.16 2.07 -0.96 -0.28 116.25 120.93 1v4w h VAL 11 Ca 0.07 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1v4w h VAL 11 Cb 0.41 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1v4w h VAL 11 CO 0.01 0.27 0.35 0.11 0.02 0.00 0.00 177.57 178.34 1v4w h LYS 12 N 0.66 1.06 -0.22 1.57 1.57 -1.01 0.41 116.57 120.62 1v4w h LYS 12 Ca 0.16 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1v4w h LYS 12 Cb 0.25 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1v4w h LYS 12 CO -0.01 0.83 0.05 0.00 -0.57 0.00 0.00 179.45 179.76 1v4w h ALA 13 N 1.18 0.29 -0.64 3.86 0.00 -0.86 -1.84 119.26 121.24 1v4w h ALA 13 Ca 0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1v4w h ALA 13 Cb 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1v4w h ALA 13 CO -0.03 -0.06 0.39 1.25 0.00 0.00 0.00 179.25 180.80 1v4w h LEU 14 N 0.17 0.76 -0.97 0.00 5.85 -0.82 -2.52 115.31 117.78 1v4w h LEU 14 Ca 0.07 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1v4w h LEU 14 Cb 0.28 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1v4w h LEU 14 CO 0.00 0.58 0.64 -0.25 -0.34 0.00 0.00 178.44 179.08 1v4w h TRP 15 N 0.86 1.21 -1.00 1.25 2.91 -0.82 -0.41 115.95 119.96 1v4w h TRP 15 Ca 0.23 0.03 0.11 0.00 1.13 0.00 0.00 58.89 60.39 1v4w h TRP 15 Cb -0.04 -0.41 -0.08 0.00 -0.51 0.00 0.00 29.16 28.12 1v4w h TRP 15 CO -0.02 0.74 0.63 0.78 -1.03 0.00 0.00 178.44 179.54 1v4w h GLY 16 N 1.28 1.60 1.66 2.65 0.00 -0.92 0.70 103.07 110.04 1v4w h GLY 16 Ca 0.37 -0.43 -0.25 0.00 0.00 0.00 0.00 47.33 47.03 1v4w h GLY 16 CO -0.09 0.19 -1.09 0.50 0.00 0.00 0.00 176.54 176.04 1v4w h LYS 17 N 1.01 0.27 0.00 4.80 1.57 -0.84 -3.38 116.57 120.00 1v4w h LYS 17 Ca 0.48 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1v4w h LYS 17 Cb 0.45 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1v4w h LYS 17 CO -0.25 1.13 -1.49 0.44 -0.57 0.00 0.00 179.45 178.71 1v4w n ILE 18 N -3.59 0.01 0.17 1.86 -5.35 -0.30 -4.58 119.36 107.59 1v4w n ILE 18 Ca -0.07 -0.26 0.14 0.00 -0.27 0.00 0.00 62.75 62.29 1v4w n ILE 18 Cb 0.94 0.45 0.71 0.00 -1.74 0.00 0.00 39.64 40.00 1v4w n ILE 18 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1v4w h SER 19 N 0.00 0.00 0.46 7.28 4.64 -1.05 -0.02 113.55 124.86 1v4w h SER 19 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1v4w h SER 19 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1v4w h SER 19 CO 0.00 0.00 0.00 0.50 -0.87 0.00 0.00 176.83 176.46 1v4w h LYS 20 N 0.00 0.00 -0.27 4.77 3.64 -1.84 -1.90 116.57 120.97 1v4w h LYS 20 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1v4w h LYS 20 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1v4w h LYS 20 CO -0.00 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.61 1v4w n SER 21 N -2.92 3.37 -0.27 4.20 7.64 -0.03 -4.75 113.62 120.86 1v4w n SER 21 Ca -0.01 -2.59 0.02 0.00 1.01 0.00 0.00 58.87 57.30 1v4w n SER 21 Cb 0.17 -0.40 0.15 0.00 -1.01 0.00 0.00 64.21 63.12 1v4w n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1v4w h ALA 22 N 1.73 1.08 -0.65 -0.43 0.00 -1.28 -0.91 119.26 118.80 1v4w h ALA 22 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1v4w h ALA 22 Cb 1.11 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1v4w h ALA 22 CO 0.12 0.06 0.37 -0.44 0.00 0.00 0.00 179.25 179.36 1v4w h ASP 23 N 0.73 0.58 -0.41 0.00 5.19 -1.85 -0.56 116.42 120.10 1v4w h ASP 23 Ca 0.37 0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.69 1v4w h ASP 23 Cb 0.32 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 1v4w h ASP 23 CO -0.24 0.39 -0.16 0.00 -3.12 0.00 0.00 179.24 176.11 1v4w h ALA 24 N 1.31 0.58 -0.27 3.45 0.00 -1.68 -1.59 119.26 121.06 1v4w h ALA 24 Ca 0.28 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1v4w h ALA 24 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1v4w h ALA 24 CO -0.15 0.50 0.17 0.82 0.00 0.00 0.00 179.25 180.60 1v4w h ILE 25 N 0.66 1.06 -0.56 0.00 2.04 -0.86 -0.58 117.51 119.27 1v4w h ILE 25 Ca 0.10 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.86 1v4w h ILE 25 Cb 0.70 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1v4w h ILE 25 CO 0.05 0.06 0.34 1.23 0.00 0.00 0.00 178.15 179.83 1v4w h GLY 26 N 0.36 0.80 1.14 5.37 0.00 -0.96 0.66 103.07 110.43 1v4w h GLY 26 Ca 0.10 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 1v4w h GLY 26 CO -0.03 0.21 -0.33 0.00 0.00 0.00 0.00 176.54 176.39 1v4w h ALA 27 N 1.25 0.62 -0.18 3.60 0.00 -1.07 -1.47 119.26 122.01 1v4w h ALA 27 Ca 0.23 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1v4w h ALA 27 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1v4w h ALA 27 CO -0.10 0.68 -0.32 0.22 0.00 0.00 0.00 179.25 179.73 1v4w h ASP 28 N 0.79 0.58 -0.62 0.00 -0.00 -0.86 -1.35 116.42 114.96 1v4w h ASP 28 Ca 0.08 -0.54 -0.07 0.00 -0.00 0.00 0.00 57.03 56.50 1v4w h ASP 28 Cb 0.92 -0.17 -0.02 0.00 -0.00 0.00 0.00 39.33 40.06 1v4w h ASP 28 CO 0.09 1.01 0.11 0.00 -0.00 0.00 0.00 179.24 180.45 1v4w h ALA 29 N 0.59 0.82 -0.26 -0.78 0.00 -0.82 -0.93 119.26 117.89 1v4w h ALA 29 Ca 0.01 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1v4w h ALA 29 Cb 0.91 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1v4w h ALA 29 CO 0.07 0.57 -0.22 -0.07 0.00 0.00 0.00 179.25 179.61 1v4w h LEU 30 N 0.93 0.64 -0.64 0.00 -0.00 -1.28 0.35 115.31 115.31 1v4w h LEU 30 Ca 0.19 -0.46 0.05 0.00 -0.00 0.00 0.00 57.88 57.67 1v4w h LEU 30 Cb 0.41 -0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 40.84 1v4w h LEU 30 CO 0.01 0.96 0.35 1.23 -0.00 0.00 0.00 178.44 180.99 1v4w h GLY 31 N 0.32 0.92 1.12 0.83 0.00 -1.11 -1.86 103.07 103.29 1v4w h GLY 31 Ca 0.05 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 1v4w h GLY 31 CO 0.06 0.15 0.11 3.21 0.00 0.00 0.00 176.54 180.07 1v4w h ARG 32 N 0.66 1.08 -0.42 4.80 3.08 -0.99 -1.76 114.38 120.82 1v4w h ARG 32 Ca 0.28 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1v4w h ARG 32 Cb 0.16 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1v4w h ARG 32 CO -0.17 0.99 0.26 1.98 -1.07 0.00 0.00 179.97 181.96 1v4w h MET 33 N 1.02 0.51 -0.54 0.04 4.05 -0.53 0.14 114.93 119.62 1v4w h MET 33 Ca 0.20 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.49 1v4w h MET 33 Cb 0.42 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1v4w h MET 33 CO 0.01 0.34 -0.07 -0.07 0.23 0.00 0.00 176.91 177.35 1v4w h LEU 34 N 0.53 0.96 0.22 3.39 -0.00 -1.17 -1.36 115.31 117.89 1v4w h LEU 34 Ca 0.16 -0.30 -0.34 0.00 -0.00 0.00 0.00 57.88 57.41 1v4w h LEU 34 Cb -0.02 -0.26 0.03 0.00 -0.00 0.00 0.00 40.66 40.41 1v4w h LEU 34 CO -0.06 1.06 -1.53 0.00 -0.00 0.00 0.00 178.44 177.90 1v4w h ALA 35 N 1.03 -0.05 0.07 1.53 0.00 -1.12 -3.25 119.26 117.47 1v4w h ALA 35 Ca 0.15 -0.94 -0.27 0.00 0.00 0.00 0.00 54.91 53.85 1v4w h ALA 35 Cb 0.61 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1v4w h ALA 35 CO 0.04 0.82 -1.33 0.28 0.00 0.00 0.00 179.25 179.06 1v4w h VAL 36 N 0.13 1.36 -2.27 0.00 2.07 -0.77 -3.38 116.25 113.39 1v4w h VAL 36 Ca -0.27 -3.04 -0.59 0.00 0.82 0.00 0.00 66.70 63.62 1v4w h VAL 36 Cb 2.13 2.78 -0.41 0.00 -1.52 0.00 0.00 31.29 34.28 1v4w h VAL 36 CO 0.24 0.84 -0.72 -1.22 0.02 0.00 0.00 177.57 176.74 1v4w n TYR 37 N -3.39 2.54 0.24 1.57 4.01 -0.51 -4.96 117.16 116.66 1v4w n TYR 37 Ca -0.10 -4.01 0.07 0.00 -0.16 0.00 0.00 57.90 53.70 1v4w n TYR 37 Cb 1.01 -0.49 0.31 0.00 -0.31 0.00 0.00 39.34 39.86 1v4w n TYR 37 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1v4w n PRO 38 N 1.19 0.07 -0.01 -0.72 -0.04 -1.23 -1.11 135.00 133.15 1v4w n PRO 38 Ca 0.27 0.46 0.21 0.00 -0.04 0.00 0.00 63.50 64.39 1v4w n PRO 38 Cb 0.43 -1.68 0.69 0.00 -0.04 0.00 0.00 33.50 32.90 1v4w n PRO 38 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1v4w h GLN 39 N 0.00 0.00 0.00 0.54 -0.00 -1.90 -1.50 115.11 112.25 1v4w h GLN 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1v4w h GLN 39 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.61 1v4w h GLN 39 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 178.83 180.62 1v4w h THR 40 N 0.00 0.00 0.00 1.86 1.35 -1.42 -3.07 112.91 111.63 1v4w h THR 40 Ca 0.26 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1v4w h THR 40 Cb 1.05 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1v4w h THR 40 CO -0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1v4w h LYS 41 N 0.00 0.00 0.00 4.72 1.57 -1.45 -3.02 116.57 118.39 1v4w h LYS 41 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1v4w h LYS 41 Cb 0.67 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1v4w h LYS 41 CO 0.00 0.00 -0.01 1.79 -0.57 0.00 0.00 179.45 180.66 1v4w h THR 42 N 0.00 0.10 -0.01 -0.16 1.35 -1.72 -1.24 112.91 111.23 1v4w h THR 42 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1v4w h THR 42 Cb 0.03 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1v4w h THR 42 CO 0.00 0.01 -0.14 -1.22 -0.25 0.00 0.00 175.52 173.92 1v4w n TYR 43 N -3.21 0.00 -1.05 4.73 4.01 -1.14 -4.23 117.16 116.28 1v4w n TYR 43 Ca -0.02 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.77 1v4w n TYR 43 Cb 0.12 -0.09 0.08 0.00 -0.31 0.00 0.00 39.34 39.14 1v4w n TYR 43 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1v4w n PHE 44 N -0.47 0.00 0.26 -0.72 3.01 -0.47 -4.78 117.46 114.29 1v4w n PHE 44 Ca 0.15 -0.66 0.14 0.00 1.01 0.00 0.00 57.45 58.09 1v4w n PHE 44 Cb 0.33 -0.10 0.70 0.00 -0.01 0.00 0.00 39.48 40.40 1v4w n PHE 44 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1v4w h SER 45 N 0.00 0.00 1.16 4.37 4.64 -1.73 -0.81 113.55 121.18 1v4w h SER 45 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1v4w h SER 45 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1v4w h SER 45 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1v4w n HIS 46 N -2.50 0.32 -2.59 4.77 1.44 -1.26 -4.82 115.22 110.57 1v4w n HIS 46 Ca -0.01 0.09 -0.37 0.00 -2.01 0.00 0.00 57.72 55.43 1v4w n HIS 46 Cb 0.11 -0.65 -0.05 0.00 0.12 0.00 0.00 29.99 29.53 1v4w n HIS 46 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1v4w s TRP 47 N -3.03 3.38 0.02 -1.40 0.52 -0.31 -4.95 118.94 113.16 1v4w s TRP 47 Ca 0.13 1.68 0.27 0.00 0.02 0.00 0.00 56.10 58.19 1v4w s TRP 47 Cb 0.17 -3.09 0.95 0.00 -1.15 0.00 0.00 33.47 30.35 1v4w s TRP 47 CO 0.55 -0.43 1.83 -1.00 0.02 0.00 0.00 176.95 177.92 1v4w h PRO 48 N 2.73 0.00 -2.71 4.98 0.13 -1.87 -3.44 132.00 131.82 1v4w h PRO 48 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 1v4w h PRO 48 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1v4w h PRO 48 CO 0.63 0.12 -0.22 0.34 -0.23 0.00 0.00 178.00 178.64 1v4w s ASP 49 N -6.02 -0.45 0.00 1.44 3.68 -1.26 -5.02 116.67 109.04 1v4w s ASP 49 Ca 0.02 0.86 0.00 0.00 2.13 0.00 0.00 52.55 55.56 1v4w s ASP 49 Cb 0.09 0.87 0.00 0.00 -1.45 0.00 0.00 42.92 42.42 1v4w s ASP 49 CO 0.61 -0.15 0.90 0.23 0.13 0.00 0.00 175.17 176.89 1v4w n MET 50 N 2.89 2.30 -2.15 4.34 2.81 -1.26 -4.60 117.12 121.45 1v4w n MET 50 Ca -0.13 -1.30 -0.32 0.00 -1.81 0.00 0.00 57.70 54.13 1v4w n MET 50 Cb 0.57 -0.96 -0.01 0.00 -0.71 0.00 0.00 33.22 32.12 1v4w n MET 50 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1v4w s SER 51 N -0.80 6.13 0.32 7.83 1.04 -1.26 -4.87 113.70 122.09 1v4w s SER 51 Ca 0.00 1.68 -0.29 0.00 0.48 0.00 0.00 55.95 57.82 1v4w s SER 51 Cb 0.00 -2.52 -0.12 0.00 0.10 0.00 0.00 66.02 63.48 1v4w s SER 51 CO 0.00 -0.93 1.33 -2.65 0.98 0.00 0.00 173.24 171.97 1v4w n PRO 52 N -1.96 2.17 -0.93 4.02 -0.02 -1.26 -1.73 135.00 135.28 1v4w n PRO 52 Ca 0.08 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1v4w n PRO 52 Cb 0.53 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1v4w n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1v4w n GLY 53 N 1.06 1.10 3.83 -1.23 0.00 -1.26 -5.01 105.19 103.66 1v4w n GLY 53 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1v4w n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v4w s SER 54 N -3.05 5.27 0.13 1.61 1.04 -0.71 -4.80 113.70 113.19 1v4w s SER 54 Ca 0.00 1.48 -0.27 0.00 0.48 0.00 0.00 55.95 57.64 1v4w s SER 54 Cb 0.00 -2.34 -0.03 0.00 0.10 0.00 0.00 66.02 63.75 1v4w s SER 54 CO 0.00 -1.50 1.61 1.23 0.98 0.00 0.00 173.24 175.56 1v4w h GLY 55 N -0.76 -0.51 1.43 7.32 0.00 -1.92 -0.54 103.07 108.10 1v4w h GLY 55 Ca -0.45 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1v4w h GLY 55 CO 0.59 -0.23 0.37 -2.55 0.00 0.00 0.00 176.54 174.72 1v4w h PRO 56 N -0.43 0.76 -0.23 4.80 0.11 -1.94 -0.97 132.00 134.10 1v4w h PRO 56 Ca 0.09 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.03 1v4w h PRO 56 Cb 0.57 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 1v4w h PRO 56 CO -0.34 0.51 -0.31 0.28 -0.21 0.00 0.00 178.00 177.93 1v4w h VAL 57 N 0.78 1.32 -0.36 3.15 2.07 -1.69 -0.71 116.25 120.81 1v4w h VAL 57 Ca 0.21 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 1v4w h VAL 57 Cb -0.08 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1v4w h VAL 57 CO -0.04 0.47 0.22 0.11 0.02 0.00 0.00 177.57 178.34 1v4w h LYS 58 N 0.32 0.49 -0.40 1.57 1.57 -0.80 0.11 116.57 119.43 1v4w h LYS 58 Ca 0.03 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1v4w h LYS 58 Cb 0.89 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1v4w h LYS 58 CO 0.07 0.37 0.04 0.00 -0.57 0.00 0.00 179.45 179.37 1v4w h ALA 59 N 1.09 0.53 -0.09 3.86 0.00 -1.09 -2.34 119.26 121.22 1v4w h ALA 59 Ca 0.13 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1v4w h ALA 59 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1v4w h ALA 59 CO -0.02 0.27 -0.66 1.25 0.00 0.00 0.00 179.25 180.09 1v4w h HIS 60 N 0.52 0.47 -0.76 0.00 -0.00 -0.99 -2.92 115.15 111.46 1v4w h HIS 60 Ca 0.12 -0.19 0.10 0.00 -0.00 0.00 0.00 60.37 60.39 1v4w h HIS 60 Cb 0.40 -0.08 -0.07 0.00 -0.00 0.00 0.00 27.41 27.66 1v4w h HIS 60 CO 0.03 0.91 0.41 0.78 -0.00 0.00 0.00 177.93 180.06 1v4w h GLY 61 N 1.34 1.17 1.46 5.26 0.00 -0.55 -0.15 103.07 111.60 1v4w h GLY 61 Ca -0.02 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 1v4w h GLY 61 CO 0.11 0.08 -0.14 0.07 0.00 0.00 0.00 176.54 176.66 1v4w h LYS 62 N 0.68 0.64 -0.43 4.80 2.10 -1.26 -2.21 116.57 120.89 1v4w h LYS 62 Ca 0.37 -0.21 -0.06 0.00 -2.00 0.00 0.00 60.65 58.75 1v4w h LYS 62 Cb 0.38 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.64 1v4w h LYS 62 CO -0.26 0.76 0.01 0.87 -2.00 0.00 0.00 179.45 178.83 1v4w h LYS 63 N 0.58 0.75 -0.48 0.07 1.57 -1.11 -0.94 116.57 117.01 1v4w h LYS 63 Ca 0.10 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1v4w h LYS 63 Cb 0.58 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1v4w h LYS 63 CO 0.04 0.81 0.21 0.28 -0.57 0.00 0.00 179.45 180.23 1v4w h VAL 64 N 0.59 1.20 0.00 0.50 2.07 -0.96 -2.04 116.25 117.61 1v4w h VAL 64 Ca 0.12 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1v4w h VAL 64 Cb 0.47 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1v4w h VAL 64 CO 0.02 0.22 -0.25 0.24 0.02 0.00 0.00 177.57 177.82 1v4w h MET 65 N 0.63 0.00 -0.33 1.57 2.86 -1.28 -1.12 114.93 117.26 1v4w h MET 65 Ca 0.16 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1v4w h MET 65 Cb 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1v4w h MET 65 CO -0.02 0.25 0.02 0.78 1.06 0.00 0.00 176.91 179.00 1v4w h GLY 66 N 1.75 0.55 1.17 8.32 0.00 -0.58 0.25 103.07 114.52 1v4w h GLY 66 Ca -0.00 -0.31 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 1v4w h GLY 66 CO 0.03 0.29 -0.48 -1.33 0.00 0.00 0.00 176.54 175.06 1v4w h GLY 67 N 0.80 0.97 1.10 4.60 0.00 -0.60 -0.74 103.07 109.20 1v4w h GLY 67 Ca 0.11 -1.07 -0.06 0.00 0.00 0.00 0.00 47.33 46.31 1v4w h GLY 67 CO 0.01 0.96 0.22 -2.08 0.00 0.00 0.00 176.54 175.65 1v4w h VAL 68 N 0.70 1.26 -0.72 4.60 2.07 -0.81 -0.36 116.25 123.00 1v4w h VAL 68 Ca 0.03 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1v4w h VAL 68 Cb 1.08 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1v4w h VAL 68 CO 0.11 0.35 0.44 0.00 0.02 0.00 0.00 177.57 178.49 1v4w h ALA 69 N 1.15 0.91 -0.50 1.67 0.00 -0.31 -1.21 119.26 120.98 1v4w h ALA 69 Ca 0.23 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1v4w h ALA 69 Cb 0.31 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1v4w h ALA 69 CO -0.01 0.37 0.31 1.25 0.00 0.00 0.00 179.25 181.18 1v4w h LEU 70 N 0.98 0.52 -1.21 0.00 5.85 -0.89 -2.05 115.31 118.51 1v4w h LEU 70 Ca 0.26 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1v4w h LEU 70 Cb -0.05 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1v4w h LEU 70 CO -0.05 0.37 0.54 0.00 -0.34 0.00 0.00 178.44 178.96 1v4w h ALA 71 N 1.21 1.45 -0.41 1.25 0.00 -0.02 -0.19 119.26 122.54 1v4w h ALA 71 Ca 0.19 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1v4w h ALA 71 Cb -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1v4w h ALA 71 CO -0.07 0.49 -0.12 0.28 0.00 0.00 0.00 179.25 179.83 1v4w h VAL 72 N 1.07 1.28 -0.58 0.00 2.07 -0.86 -0.13 116.25 119.09 1v4w h VAL 72 Ca 0.31 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.65 1v4w h VAL 72 Cb -0.06 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1v4w h VAL 72 CO -0.08 0.41 0.39 0.28 0.02 0.00 0.00 177.57 178.59 1v4w h SER 73 N 0.63 0.54 -0.49 0.57 0.02 -0.63 -2.84 113.55 111.36 1v4w h SER 73 Ca 0.10 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.95 1v4w h SER 73 Cb 0.66 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 63.02 1v4w h SER 73 CO 0.05 0.36 0.08 0.29 -1.14 0.00 0.00 176.83 176.47 1v4w n LYS 74 N -4.47 3.38 0.15 3.45 4.76 -0.17 -4.72 118.16 120.54 1v4w n LYS 74 Ca 0.07 -3.03 0.19 0.00 -2.87 0.00 0.00 58.31 52.67 1v4w n LYS 74 Cb 0.18 -2.04 0.79 0.00 -1.84 0.00 0.00 35.03 32.12 1v4w n LYS 74 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1v4w h ILE 75 N 2.34 0.43 0.00 -0.18 2.10 -0.78 0.20 117.51 121.62 1v4w h ILE 75 Ca 0.12 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.06 1v4w h ILE 75 Cb 1.87 0.75 0.00 0.00 -1.09 0.00 0.00 36.82 38.34 1v4w h ILE 75 CO 0.47 0.00 0.00 0.44 -1.08 0.00 0.00 178.15 177.98 1v4w h ASP 76 N 0.00 0.00 -1.61 2.19 3.32 -1.87 -3.38 116.42 115.07 1v4w h ASP 76 Ca 0.14 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.82 1v4w h ASP 76 Cb 0.77 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.05 1v4w h ASP 76 CO -0.00 0.00 -0.74 -0.67 -1.72 0.00 0.00 179.24 176.11 1v4w n ASP 77 N -2.76 -1.96 0.04 6.45 -0.08 0.04 -5.00 116.55 113.29 1v4w n ASP 77 Ca 0.04 -2.68 -0.03 0.00 -1.51 0.00 0.00 54.79 50.62 1v4w n ASP 77 Cb 0.47 0.63 0.22 0.00 2.34 0.00 0.00 41.12 44.77 1v4w n ASP 77 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1v4w h LEU 78 N 5.20 0.41 0.28 -2.67 4.07 -1.70 -0.16 115.31 120.75 1v4w h LEU 78 Ca 0.15 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1v4w h LEU 78 Cb 1.01 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.61 1v4w h LEU 78 CO 0.20 0.68 -0.36 0.74 -1.08 0.00 0.00 178.44 178.62 1v4w h THR 79 N 0.36 0.25 -0.33 0.22 2.02 -1.91 0.41 112.91 113.92 1v4w h THR 79 Ca 0.05 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 1v4w h THR 79 Cb 0.68 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1v4w h THR 79 CO 0.05 0.00 -0.01 0.74 0.37 0.00 0.00 175.52 176.67 1v4w h THR 80 N -0.70 1.26 -0.87 3.16 2.02 -1.95 -2.89 112.91 112.93 1v4w h THR 80 Ca -0.01 -0.98 0.05 0.00 0.77 0.00 0.00 66.41 66.25 1v4w h THR 80 Cb 0.66 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 1v4w h THR 80 CO -0.11 0.32 0.57 1.23 0.37 0.00 0.00 175.52 177.90 1v4w h GLY 81 N 0.40 1.25 -2.46 2.16 0.00 -0.87 -2.59 103.07 100.95 1v4w h GLY 81 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1v4w h GLY 81 CO 0.02 0.32 0.00 1.04 0.00 0.00 0.00 176.54 177.92 1v4w n LEU 82 N -4.47 4.24 -0.17 3.11 4.77 0.12 -4.63 117.00 119.97 1v4w n LEU 82 Ca 0.12 -2.43 -0.02 0.00 -0.03 0.00 0.00 56.01 53.66 1v4w n LEU 82 Cb 0.16 -0.50 0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1v4w n LEU 82 CO 0.34 0.79 0.93 1.23 -1.33 0.00 0.00 177.39 179.34 1v4w h GLY 83 N 3.33 0.66 1.00 -0.72 0.00 -1.24 0.13 103.07 106.24 1v4w h GLY 83 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1v4w h GLY 83 CO 0.17 -0.06 0.41 -1.80 0.00 0.00 0.00 176.54 175.26 1v4w h ASP 84 N 0.28 0.76 0.19 0.19 -0.00 -1.82 -0.24 116.42 115.77 1v4w h ASP 84 Ca 0.26 -0.04 -0.12 0.00 -0.00 0.00 0.00 57.03 57.13 1v4w h ASP 84 Cb 0.34 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.33 39.47 1v4w h ASP 84 CO -0.32 0.58 -0.44 -0.07 -0.00 0.00 0.00 179.24 178.99 1v4w h LEU 85 N 0.88 0.34 -0.32 2.28 4.07 -1.68 -1.22 115.31 119.65 1v4w h LEU 85 Ca 0.23 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 1v4w h LEU 85 Cb -0.06 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 1v4w h LEU 85 CO -0.05 0.74 0.13 -1.28 -1.08 0.00 0.00 178.44 176.91 1v4w h SER 86 N 0.26 0.44 -0.81 -0.43 0.87 -0.37 -1.53 113.55 111.97 1v4w h SER 86 Ca 0.02 -0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.46 1v4w h SER 86 Cb 0.89 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.68 1v4w h SER 86 CO 0.07 0.48 0.51 -0.08 -0.53 0.00 0.00 176.83 177.29 1v4w h GLU 87 N 0.37 0.95 -0.15 2.24 4.81 -0.71 0.14 114.58 122.23 1v4w h GLU 87 Ca 0.11 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1v4w h GLU 87 Cb 0.18 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1v4w h GLU 87 CO -0.01 0.63 0.07 -0.07 -0.73 0.00 0.00 179.01 178.90 1v4w h LEU 88 N 0.98 0.20 -0.72 1.64 -0.00 -1.05 -1.30 115.31 115.06 1v4w h LEU 88 Ca 0.34 -0.14 -0.10 0.00 -0.00 0.00 0.00 57.88 57.98 1v4w h LEU 88 Cb 0.06 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 1v4w h LEU 88 CO -0.13 0.28 -0.15 0.45 -0.00 0.00 0.00 178.44 178.89 1v4w h HIS 89 N 0.11 0.92 -0.31 1.13 3.86 -0.89 -0.71 115.15 119.26 1v4w h HIS 89 Ca 0.05 -0.19 -0.18 0.00 -1.16 0.00 0.00 60.37 58.89 1v4w h HIS 89 Cb 0.14 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 1v4w h HIS 89 CO -0.02 0.92 -0.52 0.00 0.86 0.00 0.00 177.93 179.16 1v4w h ALA 90 N 1.09 0.48 0.00 2.45 0.00 -0.62 0.19 119.26 122.85 1v4w h ALA 90 Ca 0.12 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1v4w h ALA 90 Cb 0.65 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1v4w h ALA 90 CO 0.05 0.68 -1.19 1.19 0.00 0.00 0.00 179.25 179.98 1v4w n PHE 91 N -4.01 0.00 -0.05 0.00 3.72 -0.50 -4.11 117.46 112.51 1v4w n PHE 91 Ca -0.04 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.31 1v4w n PHE 91 Cb 0.62 -0.10 -0.01 0.00 -0.94 0.00 0.00 39.48 39.05 1v4w n PHE 91 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1v4w n LYS 92 N -1.65 0.27 0.08 -1.08 4.81 -0.33 -4.69 118.16 115.56 1v4w n LYS 92 Ca -0.01 0.11 -0.07 0.00 -0.87 0.00 0.00 58.31 57.47 1v4w n LYS 92 Cb 0.11 -0.97 -0.08 0.00 0.02 0.00 0.00 35.03 34.11 1v4w n LYS 92 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 1v4w h MET 93 N -0.50 0.05 -6.09 1.64 2.86 -1.54 -3.48 114.93 107.86 1v4w h MET 93 Ca 0.00 -0.07 -0.41 0.00 -2.06 0.00 0.00 59.70 57.16 1v4w h MET 93 Cb 0.50 0.02 0.07 0.00 0.06 0.00 0.00 31.60 32.25 1v4w h MET 93 CO 0.00 0.97 -0.87 0.54 1.06 0.00 0.00 176.91 178.61 1v4w n ARG 94 N -3.45 -3.46 -2.72 1.72 1.74 0.63 -4.94 116.66 106.18 1v4w n ARG 94 Ca -0.01 0.58 -0.42 0.00 -0.77 0.00 0.00 57.85 57.23 1v4w n ARG 94 Cb 0.90 -4.91 -0.03 0.00 -1.02 0.00 0.00 32.46 27.40 1v4w n ARG 94 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1v4w s VAL 95 N -3.61 4.85 -0.05 1.55 1.01 -1.06 -4.99 120.40 118.11 1v4w s VAL 95 Ca 0.18 2.02 -0.33 0.00 0.00 0.00 0.00 61.98 63.85 1v4w s VAL 95 Cb -0.05 -4.30 -0.11 0.00 0.00 0.00 0.00 36.38 31.91 1v4w s VAL 95 CO 0.82 0.11 1.87 -0.67 0.00 0.00 0.00 175.10 177.24 1v4w n ASP 96 N 4.30 3.55 0.33 3.32 -0.08 -1.26 -4.86 116.55 121.85 1v4w n ASP 96 Ca 0.07 0.97 0.21 0.00 -1.51 0.00 0.00 54.79 54.53 1v4w n ASP 96 Cb 0.50 -1.40 1.13 0.00 2.34 0.00 0.00 41.12 43.69 1v4w n ASP 96 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1v4w h PRO 97 N 9.16 0.00 -0.50 -0.67 0.11 -1.99 -1.37 132.00 136.74 1v4w h PRO 97 Ca -0.48 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.77 1v4w h PRO 97 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1v4w h PRO 97 CO 0.94 0.00 0.42 0.66 -0.21 0.00 0.00 178.00 179.82 1v4w h SER 98 N 0.00 0.00 1.00 -2.05 4.64 -2.01 -1.64 113.55 113.49 1v4w h SER 98 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1v4w h SER 98 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1v4w h SER 98 CO -0.00 0.00 -0.16 0.78 -0.87 0.00 0.00 176.83 176.58 1v4w h ASN 99 N 0.00 0.00 -0.13 4.97 4.21 -1.62 -3.09 115.58 119.92 1v4w h ASN 99 Ca 0.24 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.70 1v4w h ASN 99 Cb 1.08 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.26 1v4w h ASN 99 CO -0.00 0.16 -0.04 -0.26 -1.29 0.00 0.00 177.43 176.00 1v4w h PHE 100 N 0.00 0.41 -0.06 1.19 0.05 -1.49 -1.60 116.94 115.44 1v4w h PHE 100 Ca -0.00 -0.04 -0.10 0.00 3.82 0.00 0.00 57.97 61.65 1v4w h PHE 100 Cb 0.70 -0.12 -0.01 0.00 2.00 0.00 0.00 35.95 38.52 1v4w h PHE 100 CO 0.00 0.44 -0.42 0.87 -0.18 0.00 0.00 178.31 179.02 1v4w h LYS 101 N 0.38 0.13 -0.17 1.51 1.79 -1.70 -0.72 116.57 117.78 1v4w h LYS 101 Ca 0.08 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 1v4w h LYS 101 Cb 0.32 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1v4w h LYS 101 CO 0.01 0.53 -0.02 0.82 -1.08 0.00 0.00 179.45 179.71 1v4w h ILE 102 N 0.11 1.27 -0.65 1.86 2.04 -1.42 -1.77 117.51 118.96 1v4w h ILE 102 Ca 0.01 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 64.87 1v4w h ILE 102 Cb 0.79 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1v4w h ILE 102 CO 0.06 0.28 0.17 0.25 0.00 0.00 0.00 178.15 178.91 1v4w h LEU 103 N 0.05 0.94 -0.41 1.44 5.85 -1.22 -1.54 115.31 120.42 1v4w h LEU 103 Ca 0.05 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1v4w h LEU 103 Cb 0.44 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1v4w h LEU 103 CO 0.01 0.90 0.16 0.28 -0.34 0.00 0.00 178.44 179.46 1v4w h SER 104 N 0.96 0.20 -0.30 1.25 0.02 -1.04 0.16 113.55 114.80 1v4w h SER 104 Ca 0.21 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1v4w h SER 104 Cb 0.32 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1v4w h SER 104 CO -0.00 0.15 0.15 -0.74 -1.14 0.00 0.00 176.83 175.25 1v4w h HIS 105 N 0.34 0.28 -0.54 3.45 -0.00 -0.91 -1.63 115.15 116.13 1v4w h HIS 105 Ca 0.18 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.51 1v4w h HIS 105 Cb 0.14 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 1v4w h HIS 105 CO -0.13 0.15 0.13 0.00 -0.00 0.00 0.00 177.93 178.08 1v4w h ILE 107 N 0.81 1.24 -0.62 0.00 -0.00 -0.40 -1.71 117.51 116.83 1v4w h ILE 107 Ca 0.18 -0.64 0.00 0.00 -0.00 0.00 0.00 64.86 64.40 1v4w h ILE 107 Cb 0.30 0.19 -0.03 0.00 -0.00 0.00 0.00 36.82 37.27 1v4w h ILE 107 CO -0.00 0.28 0.40 -0.07 -0.00 0.00 0.00 178.15 178.76 1v4w h LEU 108 N 1.13 0.73 -0.90 0.16 3.38 -0.62 -0.47 115.31 118.72 1v4w h LEU 108 Ca 0.28 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1v4w h LEU 108 Cb 0.07 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1v4w h LEU 108 CO -0.04 0.55 0.52 0.58 0.09 0.00 0.00 178.44 180.14 1v4w h VAL 109 N 0.85 1.25 -0.17 1.22 2.07 -0.97 -0.57 116.25 119.93 1v4w h VAL 109 Ca 0.23 -0.59 -0.22 0.00 0.82 0.00 0.00 66.70 66.94 1v4w h VAL 109 Cb -0.07 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1v4w h VAL 109 CO -0.05 0.28 -0.73 0.58 0.02 0.00 0.00 177.57 177.67 1v4w h VAL 110 N 1.25 1.28 -0.66 2.57 2.07 -0.92 -1.28 116.25 120.56 1v4w h VAL 110 Ca 0.32 -1.93 0.02 0.00 0.82 0.00 0.00 66.70 65.93 1v4w h VAL 110 Cb -0.01 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1v4w h VAL 110 CO -0.06 0.61 0.43 0.58 0.02 0.00 0.00 177.57 179.15 1v4w h VAL 111 N 0.55 1.14 -0.73 2.57 2.07 -0.92 -0.93 116.25 120.01 1v4w h VAL 111 Ca -0.04 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1v4w h VAL 111 Cb 1.36 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1v4w h VAL 111 CO 0.15 0.16 0.33 0.00 0.02 0.00 0.00 177.57 178.23 1v4w h ALA 112 N 1.26 0.94 -0.36 1.67 0.00 -0.92 0.11 119.26 121.96 1v4w h ALA 112 Ca 0.25 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1v4w h ALA 112 Cb -0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1v4w h ALA 112 CO -0.07 0.53 -0.12 -0.22 0.00 0.00 0.00 179.25 179.36 1v4w h LYS 113 N 1.03 0.63 0.00 0.00 3.64 -0.89 -2.73 116.57 118.25 1v4w h LYS 113 Ca 0.25 -0.20 -0.26 0.00 -1.27 0.00 0.00 60.65 59.17 1v4w h LYS 113 Cb 0.15 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 1v4w h LYS 113 CO -0.03 0.74 -2.16 -1.33 -2.27 0.00 0.00 179.45 174.40 1v4w n MET 114 N -4.18 0.67 -3.08 1.90 2.81 -0.38 -4.56 117.12 110.30 1v4w n MET 114 Ca 0.01 -0.01 -0.22 0.00 -1.81 0.00 0.00 57.70 55.66 1v4w n MET 114 Cb 0.35 -1.57 -0.04 0.00 -0.71 0.00 0.00 33.22 31.25 1v4w n MET 114 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1v4w n PHE 115 N -2.66 1.94 0.05 2.03 3.01 0.36 -4.96 117.46 117.22 1v4w n PHE 115 Ca -0.23 -3.90 0.03 0.00 1.01 0.00 0.00 57.45 54.37 1v4w n PHE 115 Cb 0.98 -0.45 0.42 0.00 -0.01 0.00 0.00 39.48 40.41 1v4w n PHE 115 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1v4w h PRO 116 N 3.03 0.43 -0.26 -1.08 0.13 -1.67 -1.27 132.00 131.32 1v4w h PRO 116 Ca 0.11 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 65.06 1v4w h PRO 116 Cb 0.76 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1v4w h PRO 116 CO 0.65 0.36 -0.42 0.87 -0.23 0.00 0.00 178.00 179.23 1v4w h LYS 117 N 0.44 0.63 0.01 0.86 1.57 -1.93 -3.16 116.57 114.99 1v4w h LYS 117 Ca 0.11 -0.33 -0.22 0.00 -1.87 0.00 0.00 60.65 58.34 1v4w h LYS 117 Cb 0.09 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1v4w h LYS 117 CO -0.01 0.93 -1.03 0.93 -0.57 0.00 0.00 179.45 179.70 1v4w h GLU 118 N 0.52 0.02 -3.63 3.15 3.07 -1.79 -3.39 114.58 112.53 1v4w h GLU 118 Ca 0.04 -0.03 -0.74 0.00 -0.50 0.00 0.00 59.36 58.13 1v4w h GLU 118 Cb 0.94 0.01 -0.12 0.00 -0.84 0.00 0.00 28.75 28.74 1v4w h GLU 118 CO 0.08 1.01 2.38 0.34 -1.40 0.00 0.00 179.01 181.42 1v4w n PHE 119 N -3.36 3.09 -1.75 4.33 7.35 -0.54 -4.77 117.46 121.81 1v4w n PHE 119 Ca -0.01 -2.84 -0.30 0.00 -0.76 0.00 0.00 57.45 53.54 1v4w n PHE 119 Cb 0.95 -2.13 0.07 0.00 0.35 0.00 0.00 39.48 38.72 1v4w n PHE 119 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1v4w s THR 120 N 1.20 3.07 0.37 -2.13 -4.23 -1.26 -4.78 115.64 107.88 1v4w s THR 120 Ca 0.42 0.35 0.12 0.00 -1.18 0.00 0.00 61.69 61.40 1v4w s THR 120 Cb 0.11 -3.25 0.34 0.00 1.34 0.00 0.00 72.50 71.05 1v4w s THR 120 CO -0.03 -0.46 1.83 -0.65 -0.54 0.00 0.00 174.62 174.78 1v4w h PRO 121 N -0.90 0.58 -0.48 3.99 0.11 -1.98 0.18 132.00 133.49 1v4w h PRO 121 Ca -0.46 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1v4w h PRO 121 Cb 1.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1v4w h PRO 121 CO 0.62 0.38 -0.19 -0.44 -0.21 0.00 0.00 178.00 178.17 1v4w h ASP 122 N 0.59 0.97 -0.47 -2.05 5.19 -1.96 0.00 116.42 118.69 1v4w h ASP 122 Ca 0.50 -0.35 -0.10 0.00 -0.62 0.00 0.00 57.03 56.46 1v4w h ASP 122 Cb 0.99 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.22 1v4w h ASP 122 CO -0.25 1.13 -0.10 0.00 -3.12 0.00 0.00 179.24 176.89 1v4w h ALA 123 N 0.95 0.65 -0.08 3.45 0.00 -1.67 -2.95 119.26 119.60 1v4w h ALA 123 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1v4w h ALA 123 Cb 0.75 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1v4w h ALA 123 CO 0.06 0.54 0.06 1.25 0.00 0.00 0.00 179.25 181.16 1v4w h HIS 124 N 0.75 0.11 -0.63 0.00 6.17 -0.32 0.11 115.15 121.33 1v4w h HIS 124 Ca 0.12 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.19 1v4w h HIS 124 Cb 0.65 -0.04 -0.03 0.00 2.52 0.00 0.00 27.41 30.51 1v4w h HIS 124 CO 0.05 0.07 0.33 -0.24 0.71 0.00 0.00 177.93 178.84 1v4w h VAL 125 N 0.11 1.21 -0.40 5.26 3.04 -0.99 0.28 116.25 124.77 1v4w h VAL 125 Ca 0.03 -0.56 -0.10 0.00 -1.01 0.00 0.00 66.70 65.06 1v4w h VAL 125 Cb -0.01 0.42 -0.01 0.00 -2.01 0.00 0.00 31.29 29.67 1v4w h VAL 125 CO -0.01 0.23 -0.16 0.28 -1.01 0.00 0.00 177.57 176.91 1v4w h SER 126 N 0.87 0.82 -0.64 3.17 0.02 -1.33 -0.95 113.55 115.51 1v4w h SER 126 Ca 0.22 -0.39 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 1v4w h SER 126 Cb 0.08 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1v4w h SER 126 CO -0.03 1.03 0.12 0.25 -1.14 0.00 0.00 176.83 177.05 1v4w h LEU 127 N 0.61 1.01 -0.54 5.07 5.85 -0.83 0.76 115.31 127.24 1v4w h LEU 127 Ca 0.09 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 1v4w h LEU 127 Cb 0.70 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1v4w h LEU 127 CO 0.05 1.00 0.16 -0.78 -0.34 0.00 0.00 178.44 178.53 1v4w h ASP 128 N 1.00 0.80 -0.65 1.25 3.58 -0.79 0.15 116.42 121.75 1v4w h ASP 128 Ca 0.20 -0.21 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 1v4w h ASP 128 Cb 0.41 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 1v4w h ASP 128 CO 0.01 0.80 0.17 0.11 -2.88 0.00 0.00 179.24 177.45 1v4w h LYS 129 N 0.75 1.04 -0.40 0.28 1.57 -0.89 -0.69 116.57 118.23 1v4w h LYS 129 Ca 0.17 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1v4w h LYS 129 Cb 0.29 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1v4w h LYS 129 CO -0.00 0.93 0.16 0.35 -0.57 0.00 0.00 179.45 180.32 1v4w h PHE 130 N 0.96 0.60 -0.00 -1.35 3.57 -0.35 -0.17 116.94 120.20 1v4w h PHE 130 Ca 0.21 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 1v4w h PHE 130 Cb 0.35 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1v4w h PHE 130 CO 0.03 0.53 -0.41 -0.07 -2.23 0.00 0.00 178.31 176.15 1v4w h LEU 131 N 0.50 0.00 -0.67 0.59 3.38 -0.52 0.56 115.31 119.14 1v4w h LEU 131 Ca 0.13 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1v4w h LEU 131 Cb 0.18 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1v4w h LEU 131 CO -0.01 0.41 -0.16 0.00 0.09 0.00 0.00 178.44 178.77 1v4w h ALA 132 N 1.59 0.86 -0.28 1.53 0.00 -0.51 -0.58 119.26 121.87 1v4w h ALA 132 Ca -0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 1v4w h ALA 132 Cb 0.73 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1v4w h ALA 132 CO 0.05 0.64 -0.34 0.77 0.00 0.00 0.00 179.25 180.38 1v4w h SER 133 N 0.76 0.63 -0.46 0.00 0.02 -0.23 -1.41 113.55 112.86 1v4w h SER 133 Ca 0.11 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1v4w h SER 133 Cb 0.69 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1v4w h SER 133 CO 0.05 0.92 0.23 0.58 -1.14 0.00 0.00 176.83 177.47 1v4w h VAL 134 N 0.51 1.18 -0.82 2.27 2.07 -0.67 -0.41 116.25 120.38 1v4w h VAL 134 Ca 0.06 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1v4w h VAL 134 Cb 0.83 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1v4w h VAL 134 CO 0.07 0.20 0.45 0.00 0.02 0.00 0.00 177.57 178.31 1v4w h ALA 135 N 1.07 1.06 -0.64 1.67 0.00 -0.90 0.21 119.26 121.72 1v4w h ALA 135 Ca 0.16 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1v4w h ALA 135 Cb 0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1v4w h ALA 135 CO -0.02 0.57 0.09 1.25 0.00 0.00 0.00 179.25 181.14 1v4w h LEU 136 N 1.15 1.03 -0.72 0.00 5.85 -0.96 -1.87 115.31 119.80 1v4w h LEU 136 Ca 0.29 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1v4w h LEU 136 Cb 0.04 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1v4w h LEU 136 CO -0.05 1.04 0.21 0.00 -0.34 0.00 0.00 178.44 179.30 1v4w h ALA 137 N 1.03 0.94 0.00 1.25 0.00 -0.63 -2.09 119.26 119.76 1v4w h ALA 137 Ca 0.19 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1v4w h ALA 137 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1v4w h ALA 137 CO 0.01 0.64 -0.20 -0.07 0.00 0.00 0.00 179.25 179.63 1v4w h LEU 138 N 1.07 0.00 -0.03 0.00 3.38 -0.73 -2.72 115.31 116.28 1v4w h LEU 138 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1v4w h LEU 138 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1v4w h LEU 138 CO -0.00 0.20 -0.07 0.00 0.09 0.00 0.00 178.44 178.65 1v4w n ALA 139 N -2.49 2.57 -0.14 1.53 0.00 -0.72 -4.38 120.51 116.87 1v4w n ALA 139 Ca -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 1v4w n ALA 139 Cb 0.26 -1.42 0.04 0.00 0.00 0.00 0.00 19.45 18.34 1v4w n ALA 139 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1v4w h GLU 140 N 0.07 0.08 -0.02 0.00 4.39 -1.13 -2.52 114.58 115.46 1v4w h GLU 140 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1v4w h GLU 140 Cb 0.43 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1v4w h GLU 140 CO 0.00 0.06 0.00 0.54 -1.16 0.00 0.00 179.01 178.45 1v4w n ARG 141 N -5.25 1.29 -0.21 2.33 1.74 -1.26 -4.23 116.66 111.07 1v4w n ARG 141 Ca 0.04 -0.42 -0.08 0.00 -0.77 0.00 0.00 57.85 56.62 1v4w n ARG 141 Cb 0.25 -1.47 0.05 0.00 -1.02 0.00 0.00 32.46 30.27 1v4w n ARG 141 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1v4w h TYR 142 N 1.00 1.14 0.00 -1.55 -1.99 -1.74 -3.48 116.97 110.35 1v4w h TYR 142 Ca 0.00 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.55 1v4w h TYR 142 Cb 0.21 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 38.64 1v4w h TYR 142 CO 0.01 0.99 0.00 2.89 -0.00 0.00 0.00 178.16 182.04