#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw6 s GLY 52 N 0.00 1.82 -0.50 3.03 0.00 -1.26 -4.98 107.32 105.42 2kw6 s GLY 52 Ca 0.00 -2.71 -0.26 0.00 0.00 0.00 0.00 44.72 41.75 2kw6 s GLY 52 CO 0.00 2.17 2.23 -1.58 0.00 0.00 0.00 173.10 175.92 2kw6 s HIS 53 N 3.12 1.26 -0.65 1.90 5.65 -1.26 -4.92 115.29 120.39 2kw6 s HIS 53 Ca 0.37 1.26 -0.26 0.00 0.25 0.00 0.00 55.06 56.68 2kw6 s HIS 53 Cb -0.03 -3.76 -0.04 0.00 -1.18 0.00 0.00 32.58 27.57 2kw6 s HIS 53 CO -0.09 -2.58 1.99 -1.01 -0.65 0.00 0.00 174.74 172.40 2kw6 s HIS 54 N 10.94 1.57 -0.50 3.88 4.02 -1.26 -4.95 115.29 128.99 2kw6 s HIS 54 Ca 0.89 0.94 -0.28 0.00 1.02 0.00 0.00 55.06 57.63 2kw6 s HIS 54 Cb -0.17 -3.97 0.01 0.00 -1.02 0.00 0.00 32.58 27.43 2kw6 s HIS 54 CO 0.25 -2.21 1.43 -3.38 1.02 0.00 0.00 174.74 171.86 2kw6 s HIS 55 N 10.02 2.30 -1.23 1.40 0.00 -1.26 -4.95 115.29 121.58 2kw6 s HIS 55 Ca 0.74 0.57 -0.18 0.00 -3.00 0.00 0.00 55.06 53.18 2kw6 s HIS 55 Cb -0.12 -4.35 0.08 0.00 -4.00 0.00 0.00 32.58 24.19 2kw6 s HIS 55 CO 0.17 -2.00 1.64 -1.58 -1.00 0.00 0.00 174.74 171.97 2kw6 s HIS 56 N 5.92 2.82 -0.45 0.38 2.46 -1.26 -4.90 115.29 120.27 2kw6 s HIS 56 Ca 0.57 -1.53 0.03 0.00 0.47 0.00 0.00 55.06 54.59 2kw6 s HIS 56 Cb -0.12 -4.69 0.13 0.00 -0.13 0.00 0.00 32.58 27.77 2kw6 s HIS 56 CO 0.28 -1.78 0.22 -1.58 -2.47 0.00 0.00 174.74 169.41 2kw6 s HIS 57 N 4.04 2.59 -0.63 3.88 5.65 -1.26 -5.06 115.29 124.50 2kw6 s HIS 57 Ca 0.51 -2.72 -0.26 0.00 0.25 0.00 0.00 55.06 52.84 2kw6 s HIS 57 Cb 0.02 -2.33 0.04 0.00 -1.18 0.00 0.00 32.58 29.13 2kw6 s HIS 57 CO 0.03 -0.79 1.12 -3.38 -0.65 0.00 0.00 174.74 171.07 2kw6 s HIS 58 N 0.26 2.57 0.76 3.88 -0.00 -1.26 -4.81 115.29 116.69 2kw6 s HIS 58 Ca 0.16 0.01 -0.11 0.00 -0.00 0.00 0.00 55.06 55.11 2kw6 s HIS 58 Cb -0.24 -4.40 0.05 0.00 -0.00 0.00 0.00 32.58 27.99 2kw6 s HIS 58 CO -0.03 -1.68 1.10 -1.12 -0.00 0.00 0.00 174.74 173.01 2kw6 s SER 59 N 3.28 4.86 0.52 7.38 0.01 -1.26 -4.83 113.70 123.66 2kw6 s SER 59 Ca 0.34 1.22 0.20 0.00 1.31 0.00 0.00 55.95 59.02 2kw6 s SER 59 Cb -0.10 -1.98 1.30 0.00 0.21 0.00 0.00 66.02 65.45 2kw6 s SER 59 CO 0.18 -1.73 2.07 -0.74 0.41 0.00 0.00 173.24 173.44 2kw6 h HIS 60 N -0.92 0.03 -2.64 2.43 -0.00 -1.97 -3.34 115.15 108.74 2kw6 h HIS 60 Ca -0.46 0.00 -0.53 0.00 -0.00 0.00 0.00 60.37 59.38 2kw6 h HIS 60 Cb 1.26 -0.01 0.03 0.00 -0.00 0.00 0.00 27.41 28.69 2kw6 h HIS 60 CO 0.47 0.02 1.03 -1.12 -0.00 0.00 0.00 177.93 178.33 2kw6 s SER 61 N -6.66 6.55 0.09 3.26 0.01 -1.26 -4.90 113.70 110.79 2kw6 s SER 61 Ca -0.05 2.56 0.15 0.00 1.31 0.00 0.00 55.95 59.92 2kw6 s SER 61 Cb 0.18 -2.56 0.64 0.00 0.21 0.00 0.00 66.02 64.49 2kw6 s SER 61 CO 0.70 -0.92 1.46 0.29 0.41 0.00 0.00 173.24 175.18 2kw6 n LYS 62 N 5.66 0.06 -0.04 12.44 4.76 -1.26 -1.41 118.16 138.36 2kw6 n LYS 62 Ca 0.16 0.36 -0.15 0.00 -2.87 0.00 0.00 58.31 55.82 2kw6 n LYS 62 Cb 0.40 -1.62 -0.08 0.00 -1.84 0.00 0.00 35.03 31.88 2kw6 n LYS 62 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 2kw6 h TYR 63 N 0.00 0.58 0.00 2.13 0.05 -1.90 -1.21 116.97 116.62 2kw6 h TYR 63 Ca 0.00 -0.24 -0.08 0.00 0.05 0.00 0.00 58.73 58.46 2kw6 h TYR 63 Cb 0.21 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 2kw6 h TYR 63 CO 0.00 0.98 -0.38 0.00 -1.05 0.00 0.00 178.16 177.71 2kw6 h ALA 64 N 0.49 0.96 -0.32 3.88 0.00 -1.51 -2.20 119.26 120.57 2kw6 h ALA 64 Ca -0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 2kw6 h ALA 64 Cb 0.99 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2kw6 h ALA 64 CO 0.08 0.47 -0.43 1.49 0.00 0.00 0.00 179.25 180.86 2kw6 h GLU 65 N 0.00 0.81 -0.04 0.00 4.57 -1.49 -3.00 114.58 115.43 2kw6 h GLU 65 Ca -0.00 -0.44 -0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2kw6 h GLU 65 Cb 0.94 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.55 2kw6 h GLU 65 CO 0.05 1.08 0.02 1.25 -1.18 0.00 0.00 179.01 180.23 2kw6 h LEU 66 N 0.66 0.06 -0.47 1.64 5.85 -0.75 -0.84 115.31 121.46 2kw6 h LEU 66 Ca 0.05 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.65 2kw6 h LEU 66 Cb 1.00 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 2kw6 h LEU 66 CO 0.10 0.20 0.23 0.25 -0.34 0.00 0.00 178.44 178.88 2kw6 h LEU 67 N -0.08 0.33 -1.01 2.25 5.85 -1.52 -2.81 115.31 118.33 2kw6 h LEU 67 Ca 0.02 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2kw6 h LEU 67 Cb 0.15 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2kw6 h LEU 67 CO -0.00 0.23 -0.17 0.00 -0.34 0.00 0.00 178.44 178.16 2kw6 h ALA 68 N 1.26 1.17 -0.22 1.25 0.00 -1.35 -2.37 119.26 118.99 2kw6 h ALA 68 Ca 0.21 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2kw6 h ALA 68 Cb 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2kw6 h ALA 68 CO -0.15 0.53 -0.09 0.82 0.00 0.00 0.00 179.25 180.36 2kw6 h ILE 69 N 0.47 1.30 -0.73 0.00 2.04 -1.05 -3.03 117.51 116.51 2kw6 h ILE 69 Ca 0.08 -1.13 -0.06 0.00 1.00 0.00 0.00 64.86 64.75 2kw6 h ILE 69 Cb 0.57 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2kw6 h ILE 69 CO 0.04 0.35 0.24 0.40 0.00 0.00 0.00 178.15 179.17 2kw6 h ILE 70 N 0.16 1.26 0.00 -0.67 2.04 -1.23 -1.35 117.51 117.71 2kw6 h ILE 70 Ca 0.05 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.03 2kw6 h ILE 70 Cb 0.57 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2kw6 h ILE 70 CO 0.03 0.35 0.00 1.05 0.00 0.00 0.00 178.15 179.58 2kw6 h GLU 71 N 1.08 0.00 0.13 2.37 4.11 -1.51 -2.67 114.58 118.09 2kw6 h GLU 71 Ca 0.24 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.39 2kw6 h GLU 71 Cb 0.29 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.56 2kw6 h GLU 71 CO -0.01 0.00 -1.16 0.93 0.07 0.00 0.00 179.01 178.84 2kw6 h GLU 72 N 0.00 0.56 -0.77 1.06 5.08 -1.16 -3.30 114.58 116.06 2kw6 h GLU 72 Ca 0.00 -0.78 0.06 0.00 -1.00 0.00 0.00 59.36 57.65 2kw6 h GLU 72 Cb 0.52 0.26 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 2kw6 h GLU 72 CO 0.00 1.35 0.50 -0.07 -1.00 0.00 0.00 179.01 179.79 2kw6 h LEU 73 N 0.15 0.72 -1.48 1.33 3.38 -1.00 -1.93 115.31 116.48 2kw6 h LEU 73 Ca -0.18 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2kw6 h LEU 73 Cb 1.86 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 2kw6 h LEU 73 CO 0.22 0.47 -0.27 1.23 0.09 0.00 0.00 178.44 180.18 2kw6 h GLY 74 N 0.82 0.00 1.01 0.83 0.00 -1.59 -2.81 103.07 101.33 2kw6 h GLY 74 Ca 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.56 2kw6 h GLY 74 CO -0.11 0.00 -0.12 0.50 0.00 0.00 0.00 176.54 176.81 2kw6 h LYS 75 N 0.00 0.83 0.00 4.80 1.79 -1.43 -3.28 116.57 119.28 2kw6 h LYS 75 Ca -0.00 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2kw6 h LYS 75 Cb 0.51 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2kw6 h LYS 75 CO 0.03 0.95 0.00 0.39 -1.08 0.00 0.00 179.45 179.75 2kw6 n GLU 76 N -4.29 0.03 -0.08 3.15 -0.58 -1.06 -3.52 120.64 114.28 2kw6 n GLU 76 Ca -0.01 0.16 -0.13 0.00 -0.42 0.00 0.00 57.16 56.76 2kw6 n GLU 76 Cb 0.38 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.70 2kw6 n GLU 76 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2kw6 h ILE 77 N 0.00 1.31 0.04 -3.67 2.04 -1.62 -1.69 117.51 113.93 2kw6 h ILE 77 Ca 0.00 -1.45 0.03 0.00 1.00 0.00 0.00 64.86 64.44 2kw6 h ILE 77 Cb 0.32 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 2kw6 h ILE 77 CO 0.00 0.46 -0.23 0.03 0.00 0.00 0.00 178.15 178.40 2kw6 h ARG 78 N 0.36 -0.37 -0.36 2.37 2.47 -1.79 -0.41 114.38 116.65 2kw6 h ARG 78 Ca 0.04 0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.68 2kw6 h ARG 78 Cb 0.84 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.23 2kw6 h ARG 78 CO 0.07 -0.25 -0.21 -1.00 0.56 0.00 0.00 179.97 179.14 2kw6 h PRO 79 N -0.39 0.71 -0.27 0.04 0.13 -1.79 -1.90 132.00 128.53 2kw6 h PRO 79 Ca 0.05 -0.27 0.04 0.00 -0.87 0.00 0.00 66.00 64.95 2kw6 h PRO 79 Cb 0.45 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.50 2kw6 h PRO 79 CO -0.18 0.86 0.03 1.15 -0.23 0.00 0.00 178.00 179.63 2kw6 h THR 80 N 0.62 0.84 0.00 1.56 2.02 -1.06 -0.67 112.91 116.22 2kw6 h THR 80 Ca 0.09 -0.04 -0.08 0.00 0.77 0.00 0.00 66.41 67.15 2kw6 h THR 80 Cb 0.70 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2kw6 h THR 80 CO 0.05 0.02 -0.36 0.22 0.37 0.00 0.00 175.52 175.82 2kw6 h TYR 81 N 0.12 0.00 0.00 3.16 3.20 -1.13 -2.45 116.97 119.87 2kw6 h TYR 81 Ca 0.13 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2kw6 h TYR 81 Cb 0.15 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2kw6 h TYR 81 CO -0.18 0.36 0.00 0.00 -1.64 0.00 0.00 178.16 176.70 2kw6 n ALA 82 N -2.37 1.91 -0.29 1.82 0.00 -0.61 -4.85 120.51 116.12 2kw6 n ALA 82 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kw6 n ALA 82 Cb 0.44 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2kw6 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kw6 n GLY 83 N 0.11 1.14 3.46 0.00 0.00 -0.92 -5.05 105.19 103.92 2kw6 n GLY 83 Ca 0.08 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 2kw6 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kw6 s SER 84 N -2.22 6.24 0.58 1.61 0.01 -0.36 -4.92 113.70 114.65 2kw6 s SER 84 Ca 0.00 -0.79 0.36 0.00 1.31 0.00 0.00 55.95 56.83 2kw6 s SER 84 Cb 0.00 -2.30 1.71 0.00 0.21 0.00 0.00 66.02 65.64 2kw6 s SER 84 CO 0.00 -0.90 2.12 0.50 0.41 0.00 0.00 173.24 175.37 2kw6 h LYS 85 N 9.00 0.00 -0.31 12.44 3.64 -1.88 -2.65 116.57 136.81 2kw6 h LYS 85 Ca -0.27 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.95 2kw6 h LYS 85 Cb 1.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2kw6 h LYS 85 CO 0.96 0.02 -0.44 1.03 -2.27 0.00 0.00 179.45 178.76 2kw6 h SER 86 N 0.00 0.84 -0.17 4.20 0.87 -1.96 -3.09 113.55 114.25 2kw6 h SER 86 Ca -0.00 -0.40 -0.15 0.00 -1.23 0.00 0.00 61.79 60.01 2kw6 h SER 86 Cb 0.33 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2kw6 h SER 86 CO 0.00 1.16 -0.48 0.00 -0.53 0.00 0.00 176.83 176.99 2kw6 h ALA 87 N 0.87 0.29 -0.04 6.23 0.00 -1.82 -2.55 119.26 122.24 2kw6 h ALA 87 Ca 0.04 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2kw6 h ALA 87 Cb 1.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2kw6 h ALA 87 CO 0.10 0.45 -0.13 0.00 0.00 0.00 0.00 179.25 179.66 2kw6 h MET 88 N 0.29 0.06 -0.02 0.00 -0.00 -1.61 0.14 114.93 113.80 2kw6 h MET 88 Ca -0.01 -0.01 -0.23 0.00 -0.00 0.00 0.00 59.70 59.45 2kw6 h MET 88 Cb 1.09 -0.01 0.02 0.00 -0.00 0.00 0.00 31.60 32.70 2kw6 h MET 88 CO 0.10 0.20 -0.88 0.93 -0.00 0.00 0.00 176.91 177.27 2kw6 h GLU 89 N 0.06 0.64 -0.12 -0.10 5.08 -1.46 -0.13 114.58 118.55 2kw6 h GLU 89 Ca 0.01 -0.65 -0.10 0.00 -1.00 0.00 0.00 59.36 57.61 2kw6 h GLU 89 Cb 0.28 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2kw6 h GLU 89 CO 0.02 1.25 -0.39 0.00 -1.00 0.00 0.00 179.01 178.90 2kw6 h ARG 90 N 0.28 0.26 -0.14 2.33 2.47 -1.25 -1.35 114.38 116.97 2kw6 h ARG 90 Ca -0.10 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.49 2kw6 h ARG 90 Cb 1.54 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.85 2kw6 h ARG 90 CO 0.17 0.61 0.06 1.25 0.56 0.00 0.00 179.97 182.63 2kw6 h LEU 91 N 0.22 0.19 -0.40 3.04 5.85 -0.99 -2.87 115.31 120.35 2kw6 h LEU 91 Ca 0.02 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 2kw6 h LEU 91 Cb 0.79 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 2kw6 h LEU 91 CO 0.06 0.28 0.24 0.50 -0.34 0.00 0.00 178.44 179.18 2kw6 h LYS 92 N 0.09 0.55 0.19 1.25 3.64 -0.68 -1.51 116.57 120.10 2kw6 h LYS 92 Ca 0.05 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2kw6 h LYS 92 Cb 0.14 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2kw6 h LYS 92 CO -0.01 0.42 -0.23 0.00 -2.27 0.00 0.00 179.45 177.37 2kw6 h ARG 93 N 0.53 -0.45 -0.56 1.90 3.08 -1.29 -2.03 114.38 115.56 2kw6 h ARG 93 Ca 0.14 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 2kw6 h ARG 93 Cb 0.01 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2kw6 h ARG 93 CO -0.03 -0.30 0.17 0.78 -1.07 0.00 0.00 179.97 179.53 2kw6 h GLY 94 N -0.46 0.90 0.99 0.04 0.00 -1.39 -0.92 103.07 102.22 2kw6 h GLY 94 Ca 0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 2kw6 h GLY 94 CO -0.08 0.46 0.27 -2.22 0.00 0.00 0.00 176.54 174.97 2kw6 h ILE 95 N 0.81 1.22 -0.37 2.60 2.04 -1.07 0.34 117.51 123.08 2kw6 h ILE 95 Ca 0.19 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 2kw6 h ILE 95 Cb 0.24 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2kw6 h ILE 95 CO -0.01 0.25 0.12 0.40 0.00 0.00 0.00 178.15 178.91 2kw6 h ILE 96 N 0.81 1.21 -0.34 -0.67 2.04 -1.04 -2.65 117.51 116.86 2kw6 h ILE 96 Ca 0.20 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 2kw6 h ILE 96 Cb 0.14 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2kw6 h ILE 96 CO -0.02 0.23 0.17 0.45 0.00 0.00 0.00 178.15 178.98 2kw6 h HIS 97 N 0.44 0.48 -0.78 1.37 3.86 -0.95 -1.24 115.15 118.33 2kw6 h HIS 97 Ca 0.12 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 2kw6 h HIS 97 Cb 0.24 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.53 2kw6 h HIS 97 CO 0.01 0.41 0.41 0.00 0.86 0.00 0.00 177.93 179.61 2kw6 h ALA 98 N 1.03 1.01 -0.05 2.45 0.00 -0.97 -2.22 119.26 120.51 2kw6 h ALA 98 Ca 0.12 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2kw6 h ALA 98 Cb 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2kw6 h ALA 98 CO -0.02 0.54 -0.43 -0.09 0.00 0.00 0.00 179.25 179.26 2kw6 h ARG 99 N 1.09 0.10 -0.84 0.00 2.43 -1.29 -1.77 114.38 114.11 2kw6 h ARG 99 Ca 0.27 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2kw6 h ARG 99 Cb 0.07 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 2kw6 h ARG 99 CO -0.04 0.52 0.41 0.78 -1.51 0.00 0.00 179.97 180.12 2kw6 h GLY 100 N 1.27 1.30 1.55 2.80 0.00 -0.67 -1.11 103.07 108.22 2kw6 h GLY 100 Ca 0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 47.33 46.59 2kw6 h GLY 100 CO 0.06 0.61 -0.28 1.41 0.00 0.00 0.00 176.54 178.34 2kw6 h LEU 101 N 1.20 0.52 -0.33 3.11 3.38 -0.84 -2.69 115.31 119.66 2kw6 h LEU 101 Ca 0.29 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2kw6 h LEU 101 Cb 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2kw6 h LEU 101 CO -0.04 0.78 -0.14 0.58 0.09 0.00 0.00 178.44 179.72 2kw6 h VAL 102 N 0.45 1.29 -0.50 1.22 2.07 -0.99 -2.27 116.25 117.51 2kw6 h VAL 102 Ca 0.06 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.27 2kw6 h VAL 102 Cb 0.71 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 2kw6 h VAL 102 CO 0.05 0.40 0.01 0.03 0.02 0.00 0.00 177.57 178.08 2kw6 h ARG 103 N 0.46 0.83 0.00 1.57 3.08 -1.10 -0.51 114.38 118.70 2kw6 h ARG 103 Ca 0.08 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.81 2kw6 h ARG 103 Cb 0.67 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2kw6 h ARG 103 CO 0.04 0.83 -0.44 1.05 -1.07 0.00 0.00 179.97 180.38 2kw6 h GLU 104 N 0.77 0.00 0.00 0.04 4.11 -1.51 -1.74 114.58 116.24 2kw6 h GLU 104 Ca 0.15 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.45 2kw6 h GLU 104 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2kw6 h GLU 104 CO 0.02 0.44 -0.63 0.00 0.07 0.00 0.00 179.01 178.91 2kw6 h LEU 106 N 0.00 0.35 -1.71 0.00 3.38 -0.96 -2.15 115.31 114.22 2kw6 h LEU 106 Ca -0.01 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 2kw6 h LEU 106 Cb 1.16 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2kw6 h LEU 106 CO 0.08 0.67 -0.18 0.00 0.09 0.00 0.00 178.44 179.11 2kw6 h ALA 107 N 0.69 1.43 -0.08 1.53 0.00 -1.22 0.64 119.26 122.24 2kw6 h ALA 107 Ca 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2kw6 h ALA 107 Cb 0.54 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kw6 h ALA 107 CO 0.02 0.22 -0.02 1.49 0.00 0.00 0.00 179.25 180.97 2kw6 h GLU 108 N 0.00 0.16 0.00 0.00 4.57 -0.79 -3.05 114.58 115.47 2kw6 h GLU 108 Ca -0.00 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 2kw6 h GLU 108 Cb 0.39 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2kw6 h GLU 108 CO 0.02 0.48 -0.16 1.15 -1.18 0.00 0.00 179.01 179.33 2kw6 h THR 109 N -0.18 0.65 0.00 0.32 2.02 -0.84 -2.48 112.91 112.40 2kw6 h THR 109 Ca 0.02 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.46 2kw6 h THR 109 Cb 0.43 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2kw6 h THR 109 CO 0.01 0.16 -0.22 -0.08 0.37 0.00 0.00 175.52 175.75 2kw6 h GLU 110 N 0.00 0.00 0.09 6.66 4.57 -0.78 0.18 114.58 125.30 2kw6 h GLU 110 Ca -0.00 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.89 2kw6 h GLU 110 Cb 0.42 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.04 2kw6 h GLU 110 CO 0.02 0.22 -1.18 0.00 -1.18 0.00 0.00 179.01 176.89 2kw6 h ARG 111 N 0.00 0.64 0.00 1.92 3.08 -1.37 -3.37 114.38 115.29 2kw6 h ARG 111 Ca -0.00 -0.81 -0.14 0.00 0.07 0.00 0.00 59.98 59.09 2kw6 h ARG 111 Cb 0.70 0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 2kw6 h ARG 111 CO 0.03 1.37 -0.69 -0.97 -1.07 0.00 0.00 179.97 178.64 2kw6 h ASN 112 N 0.30 0.00 -5.18 7.04 -0.73 -1.19 -3.48 115.58 112.33 2kw6 h ASN 112 Ca -0.17 0.00 0.07 0.00 1.87 0.00 0.00 56.30 58.07 2kw6 h ASN 112 Cb 1.85 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 40.42 2kw6 h ASN 112 CO 0.23 0.69 0.40 0.00 -0.37 0.00 0.00 177.43 178.38 2kw6 s ALA 113 N -2.98 -1.17 0.27 1.57 0.00 0.58 -5.09 121.76 114.93 2kw6 s ALA 113 Ca 0.02 -0.48 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 2kw6 s ALA 113 Cb 0.09 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.93 2kw6 s ALA 113 CO 0.77 -1.02 0.50 -0.98 0.00 0.00 0.00 175.76 175.03 2kw6 s ARG 114 N -2.49 1.65 0.00 0.00 1.70 -1.26 -4.15 118.95 114.39 2kw6 s ARG 114 Ca 0.17 -1.32 0.00 0.00 -0.47 0.00 0.00 55.73 54.11 2kw6 s ARG 114 Cb -0.04 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 2kw6 s ARG 114 CO 0.08 -0.69 0.00 -1.13 -1.08 0.00 0.00 175.30 172.48