#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 1.70 -0.07 3.03 0.00 -1.26 -5.03 107.32 105.69 2kw6 s GLY 52 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.41 2kw6 s GLY 52 CO 0.00 2.03 1.16 -1.58 0.00 0.00 0.00 173.10 174.71 2kw6 s HIS 53 N 3.12 3.25 -0.35 1.90 5.65 -1.26 -4.97 115.29 122.63 2kw6 s HIS 53 Ca 0.40 1.30 -0.28 0.00 0.25 0.00 0.00 55.06 56.73 2kw6 s HIS 53 Cb -0.15 -3.37 -0.02 0.00 -1.18 0.00 0.00 32.58 27.86 2kw6 s HIS 53 CO 0.08 -1.07 1.86 -1.58 -0.65 0.00 0.00 174.74 173.39 2kw6 s HIS 54 N 2.24 1.71 -0.05 3.88 2.46 -1.26 -4.81 115.29 119.46 2kw6 s HIS 54 Ca 0.54 0.67 -0.07 0.00 0.47 0.00 0.00 55.06 56.67 2kw6 s HIS 54 Cb -0.23 -4.09 -0.02 0.00 -0.13 0.00 0.00 32.58 28.11 2kw6 s HIS 54 CO 0.20 -2.97 -0.13 0.72 -2.47 0.00 0.00 174.74 170.10 2kw6 n HIS 55 N 10.87 0.00 -3.64 3.88 8.25 -1.26 -5.14 115.22 128.17 2kw6 n HIS 55 Ca 0.24 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.64 2kw6 n HIS 55 Cb 0.47 -0.18 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 2kw6 n HIS 55 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kw6 s HIS 56 N -1.90 -0.23 0.01 4.41 0.00 -1.26 -5.18 115.29 111.13 2kw6 s HIS 56 Ca -0.11 0.00 0.06 0.00 -3.00 0.00 0.00 55.06 52.01 2kw6 s HIS 56 Cb 0.01 0.59 -0.02 0.00 -4.00 0.00 0.00 32.58 29.17 2kw6 s HIS 56 CO 0.16 -0.71 -0.18 -1.01 -1.00 0.00 0.00 174.74 172.00 2kw6 s HIS 57 N -3.22 1.62 -0.56 0.38 4.02 -1.26 -5.02 115.29 111.24 2kw6 s HIS 57 Ca 0.09 -0.33 0.15 0.00 1.02 0.00 0.00 55.06 56.00 2kw6 s HIS 57 Cb -0.01 -1.02 0.53 0.00 -1.02 0.00 0.00 32.58 31.06 2kw6 s HIS 57 CO -0.03 0.01 1.45 0.72 1.02 0.00 0.00 174.74 177.90 2kw6 n HIS 58 N 2.37 1.01 -1.96 1.40 8.25 -1.26 -4.91 115.22 120.12 2kw6 n HIS 58 Ca -0.16 -0.71 -0.42 0.00 -0.26 0.00 0.00 57.72 56.17 2kw6 n HIS 58 Cb 0.54 -0.24 -0.00 0.00 1.12 0.00 0.00 29.99 31.40 2kw6 n HIS 58 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2kw6 n SER 59 N 0.17 4.12 0.13 0.41 7.64 -1.26 -4.67 113.62 120.16 2kw6 n SER 59 Ca 0.20 -2.85 0.01 0.00 1.01 0.00 0.00 58.87 57.24 2kw6 n SER 59 Cb 0.79 -1.67 0.06 0.00 -1.01 0.00 0.00 64.21 62.39 2kw6 n SER 59 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2kw6 h HIS 60 N 6.61 0.00 -2.60 1.43 -0.00 -2.05 -3.45 115.15 115.10 2kw6 h HIS 60 Ca 0.52 0.00 -0.54 0.00 -0.00 0.00 0.00 60.37 60.35 2kw6 h HIS 60 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.13 2kw6 h HIS 60 CO 1.44 0.58 1.09 -1.12 -0.00 0.00 0.00 177.93 179.91 2kw6 s SER 61 N -6.51 6.63 0.36 2.45 0.01 -1.26 -4.89 113.70 110.49 2kw6 s SER 61 Ca 0.03 2.34 0.27 0.00 1.31 0.00 0.00 55.95 59.89 2kw6 s SER 61 Cb 0.09 -2.54 1.10 0.00 0.21 0.00 0.00 66.02 64.88 2kw6 s SER 61 CO 0.75 -0.93 1.81 0.50 0.41 0.00 0.00 173.24 175.77 2kw6 h LYS 62 N 9.43 0.00 0.00 12.44 1.63 -2.01 -2.31 116.57 135.75 2kw6 h LYS 62 Ca -0.41 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.36 2kw6 h LYS 62 Cb 1.19 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2kw6 h LYS 62 CO 0.95 0.00 -0.12 1.88 -3.45 0.00 0.00 179.45 178.70 2kw6 h TYR 63 N 0.00 0.00 -0.84 1.91 0.05 -1.98 -0.93 116.97 115.18 2kw6 h TYR 63 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2kw6 h TYR 63 Cb 0.43 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.13 2kw6 h TYR 63 CO 0.00 0.12 0.47 0.00 -1.05 0.00 0.00 178.16 177.70 2kw6 h ALA 64 N 1.88 1.24 0.14 3.88 0.00 -1.80 -0.71 119.26 123.88 2kw6 h ALA 64 Ca -0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 54.91 54.48 2kw6 h ALA 64 Cb 0.28 -0.34 0.03 0.00 0.00 0.00 0.00 17.79 17.76 2kw6 h ALA 64 CO 0.02 0.62 -1.28 1.49 0.00 0.00 0.00 179.25 180.10 2kw6 h GLU 65 N 1.18 0.62 -0.36 0.00 4.81 -1.57 -2.98 114.58 116.28 2kw6 h GLU 65 Ca 0.30 -0.85 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 2kw6 h GLU 65 Cb 0.01 0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2kw6 h GLU 65 CO -0.05 1.39 0.16 1.25 -0.73 0.00 0.00 179.01 181.04 2kw6 h LEU 66 N 0.27 0.48 -0.47 1.64 5.85 -1.07 -0.89 115.31 121.12 2kw6 h LEU 66 Ca -0.20 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 2kw6 h LEU 66 Cb 1.95 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.83 2kw6 h LEU 66 CO 0.24 0.49 0.15 0.25 -0.34 0.00 0.00 178.44 179.23 2kw6 h LEU 67 N 0.45 0.68 -0.90 2.25 5.85 -1.27 -2.91 115.31 119.46 2kw6 h LEU 67 Ca 0.12 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2kw6 h LEU 67 Cb 0.14 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 2kw6 h LEU 67 CO -0.01 0.71 0.58 0.00 -0.34 0.00 0.00 178.44 179.37 2kw6 h ALA 68 N 1.00 1.19 0.23 1.25 0.00 -1.25 -1.72 119.26 119.97 2kw6 h ALA 68 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2kw6 h ALA 68 Cb 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kw6 h ALA 68 CO -0.01 0.41 -0.11 0.82 0.00 0.00 0.00 179.25 180.37 2kw6 h ILE 69 N 1.11 0.84 -0.47 0.00 2.04 -1.17 -2.98 117.51 116.87 2kw6 h ILE 69 Ca 0.36 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.78 2kw6 h ILE 69 Cb 0.03 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2kw6 h ILE 69 CO -0.13 0.11 0.23 0.40 0.00 0.00 0.00 178.15 178.75 2kw6 h ILE 70 N -0.56 0.95 0.00 -0.67 2.04 -1.26 -0.87 117.51 117.13 2kw6 h ILE 70 Ca -0.03 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 2kw6 h ILE 70 Cb 0.41 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2kw6 h ILE 70 CO 0.05 0.08 -0.14 1.05 0.00 0.00 0.00 178.15 179.19 2kw6 h GLU 71 N 0.45 0.00 -0.04 2.37 4.11 -1.41 -2.21 114.58 117.85 2kw6 h GLU 71 Ca 0.21 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.42 2kw6 h GLU 71 Cb 0.13 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.39 2kw6 h GLU 71 CO -0.15 0.14 -0.80 0.93 0.07 0.00 0.00 179.01 179.19 2kw6 h GLU 72 N 0.00 0.61 0.00 1.06 5.08 -1.11 -3.27 114.58 116.96 2kw6 h GLU 72 Ca -0.00 -0.61 -0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2kw6 h GLU 72 Cb 0.52 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2kw6 h GLU 72 CO 0.02 1.22 -0.01 -0.07 -1.00 0.00 0.00 179.01 179.16 2kw6 h LEU 73 N 0.24 0.00 -0.70 1.33 3.38 -0.60 -0.80 115.31 118.15 2kw6 h LEU 73 Ca -0.09 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 2kw6 h LEU 73 Cb 1.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 2kw6 h LEU 73 CO 0.16 0.01 -0.42 1.23 0.09 0.00 0.00 178.44 179.52 2kw6 h GLY 74 N 0.15 0.56 1.41 0.83 0.00 -1.51 -3.10 103.07 101.41 2kw6 h GLY 74 Ca -0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.64 2kw6 h GLY 74 CO 0.00 0.51 -0.34 0.50 0.00 0.00 0.00 176.54 177.21 2kw6 h LYS 75 N 0.42 0.66 -0.00 4.80 1.79 -1.26 -3.26 116.57 119.72 2kw6 h LYS 75 Ca 0.03 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2kw6 h LYS 75 Cb 0.91 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2kw6 h LYS 75 CO 0.08 0.91 -0.02 0.39 -1.08 0.00 0.00 179.45 179.72 2kw6 n GLU 76 N -4.06 0.31 -0.15 3.15 -0.58 -1.04 -3.48 120.64 114.79 2kw6 n GLU 76 Ca -0.01 -0.02 -0.10 0.00 -0.42 0.00 0.00 57.16 56.61 2kw6 n GLU 76 Cb 0.49 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.85 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 0.05 1.26 0.26 -3.67 2.04 -1.59 -2.74 117.51 113.12 2kw6 h ILE 77 Ca 0.00 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.83 2kw6 h ILE 77 Cb 0.36 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2kw6 h ILE 77 CO 0.00 0.35 -0.29 0.03 0.00 0.00 0.00 178.15 178.24 2kw6 h ARG 78 N 0.59 -0.58 -0.32 2.37 2.47 -1.78 -0.74 114.38 116.39 2kw6 h ARG 78 Ca 0.12 0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.79 2kw6 h ARG 78 Cb 0.50 0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.93 2kw6 h ARG 78 CO 0.02 -0.38 -0.19 -1.00 0.56 0.00 0.00 179.97 178.98 2kw6 h PRO 79 N -0.60 0.59 -0.03 0.04 0.13 -1.79 -2.32 132.00 128.02 2kw6 h PRO 79 Ca -0.00 -0.21 0.01 0.00 -0.87 0.00 0.00 66.00 64.93 2kw6 h PRO 79 Cb 0.56 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 2kw6 h PRO 79 CO -0.08 0.75 -0.04 1.15 -0.23 0.00 0.00 178.00 179.55 2kw6 h THR 80 N 0.53 0.90 0.00 1.56 2.02 -1.31 -1.80 112.91 114.80 2kw6 h THR 80 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2kw6 h THR 80 Cb 0.63 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2kw6 h THR 80 CO 0.04 0.00 0.00 0.22 0.37 0.00 0.00 175.52 176.15 2kw6 h TYR 81 N -0.05 0.00 0.00 3.16 3.20 -1.16 -1.95 116.97 120.17 2kw6 h TYR 81 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2kw6 h TYR 81 Cb 0.09 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2kw6 h TYR 81 CO -0.12 0.00 0.00 0.00 -1.64 0.00 0.00 178.16 176.40 2kw6 n ALA 82 N -2.02 2.62 -1.28 1.82 0.00 -0.79 -4.89 120.51 115.97 2kw6 n ALA 82 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2kw6 n ALA 82 Cb 0.31 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.82 0.68 3.49 0.00 0.00 -0.73 -5.04 105.19 104.40 2kw6 n GLY 83 Ca 0.16 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.77 6.22 0.54 1.61 0.01 -0.75 -4.94 113.70 113.62 2kw6 s SER 84 Ca 0.00 -0.64 0.33 0.00 1.31 0.00 0.00 55.95 56.95 2kw6 s SER 84 Cb 0.00 -2.24 1.33 0.00 0.21 0.00 0.00 66.02 65.32 2kw6 s SER 84 CO 0.00 -0.62 1.97 0.50 0.41 0.00 0.00 173.24 175.50 2kw6 h LYS 85 N 8.76 0.00 -0.44 12.44 3.64 -1.90 -2.56 116.57 136.51 2kw6 h LYS 85 Ca -0.26 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.98 2kw6 h LYS 85 Cb 1.11 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2kw6 h LYS 85 CO 0.82 0.02 -0.28 0.66 -2.27 0.00 0.00 179.45 178.40 2kw6 h SER 86 N 0.00 1.00 -0.04 4.20 4.64 -1.96 -3.05 113.55 118.34 2kw6 h SER 86 Ca -0.00 -0.41 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 2kw6 h SER 86 Cb 0.53 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2kw6 h SER 86 CO 0.00 1.20 -0.01 0.00 -0.87 0.00 0.00 176.83 177.15 2kw6 h ALA 87 N 0.86 0.06 -0.28 5.18 0.00 -1.80 -2.86 119.26 120.40 2kw6 h ALA 87 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kw6 h ALA 87 Cb 0.86 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2kw6 h ALA 87 CO 0.08 -0.23 0.13 0.00 0.00 0.00 0.00 179.25 179.23 2kw6 h MET 88 N -0.28 0.39 0.00 0.00 3.00 -1.57 0.16 114.93 116.62 2kw6 h MET 88 Ca 0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 59.70 59.60 2kw6 h MET 88 Cb 0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 31.60 31.93 2kw6 h MET 88 CO 0.00 0.31 -0.35 0.93 0.00 0.00 0.00 176.91 177.81 2kw6 h GLU 89 N 0.39 0.00 0.03 -0.10 4.39 -1.54 -0.87 114.58 116.88 2kw6 h GLU 89 Ca 0.10 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.54 2kw6 h GLU 89 Cb 0.05 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 2kw6 h GLU 89 CO -0.01 0.35 -1.41 0.00 -1.16 0.00 0.00 179.01 176.77 2kw6 h ARG 90 N 0.00 0.05 -0.18 2.33 3.08 -1.16 -2.73 114.38 115.77 2kw6 h ARG 90 Ca -0.00 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 2kw6 h ARG 90 Cb 1.24 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2kw6 h ARG 90 CO 0.05 0.82 -0.31 1.25 -1.07 0.00 0.00 179.97 180.71 2kw6 h LEU 91 N 0.01 0.58 -0.32 3.04 5.85 -0.66 -2.01 115.31 121.79 2kw6 h LEU 91 Ca -0.18 -0.54 -0.11 0.00 0.84 0.00 0.00 57.88 57.89 2kw6 h LEU 91 Cb 1.92 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.77 2kw6 h LEU 91 CO 0.11 1.01 -0.53 0.50 -0.34 0.00 0.00 178.44 179.19 2kw6 h LYS 92 N 0.17 0.00 -0.06 1.25 3.64 -1.32 -1.84 116.57 118.40 2kw6 h LYS 92 Ca 0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2kw6 h LYS 92 Cb 0.90 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2kw6 h LYS 92 CO 0.07 0.53 0.03 -0.09 -2.27 0.00 0.00 179.45 177.72 2kw6 h ARG 93 N 0.00 0.09 -0.51 1.90 9.65 -1.42 -1.84 114.38 122.25 2kw6 h ARG 93 Ca -0.01 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 2kw6 h ARG 93 Cb 1.27 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.81 2kw6 h ARG 93 CO 0.07 0.15 0.22 0.78 2.80 0.00 0.00 179.97 183.99 2kw6 h GLY 94 N 0.00 0.81 0.59 2.80 0.00 -1.32 -2.58 103.07 103.38 2kw6 h GLY 94 Ca 0.02 -0.43 0.03 0.00 0.00 0.00 0.00 47.33 46.95 2kw6 h GLY 94 CO -0.00 0.41 -0.13 -2.22 0.00 0.00 0.00 176.54 174.60 2kw6 h ILE 95 N 0.68 0.67 -0.30 2.60 1.08 -1.25 -0.00 117.51 120.99 2kw6 h ILE 95 Ca 0.17 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.63 2kw6 h ILE 95 Cb 0.17 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 2kw6 h ILE 95 CO -0.02 0.00 0.14 0.40 -0.69 0.00 0.00 178.15 177.98 2kw6 h ILE 96 N -0.18 1.16 -0.76 -0.67 2.04 -1.31 -0.53 117.51 117.26 2kw6 h ILE 96 Ca 0.07 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 2kw6 h ILE 96 Cb 0.27 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 2kw6 h ILE 96 CO -0.18 0.17 0.30 -0.74 0.00 0.00 0.00 178.15 177.70 2kw6 h HIS 97 N 0.35 1.17 -0.80 1.37 2.76 -1.39 -2.16 115.15 116.44 2kw6 h HIS 97 Ca 0.10 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 2kw6 h HIS 97 Cb 0.14 -0.35 -0.04 0.00 1.55 0.00 0.00 27.41 28.72 2kw6 h HIS 97 CO -0.01 0.89 0.41 0.00 -1.30 0.00 0.00 177.93 177.92 2kw6 h ALA 98 N 1.15 1.22 -0.41 5.26 0.00 -0.71 -2.27 119.26 123.50 2kw6 h ALA 98 Ca 0.25 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2kw6 h ALA 98 Cb 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2kw6 h ALA 98 CO -0.02 0.61 -0.05 -0.09 0.00 0.00 0.00 179.25 179.71 2kw6 h ARG 99 N 1.13 0.69 -0.49 0.00 2.43 -0.75 -2.26 114.38 115.12 2kw6 h ARG 99 Ca 0.28 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2kw6 h ARG 99 Cb 0.07 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2kw6 h ARG 99 CO -0.04 0.74 0.23 0.78 -1.51 0.00 0.00 179.97 180.16 2kw6 h GLY 100 N 0.95 0.73 1.31 2.80 0.00 -0.83 -1.29 103.07 106.74 2kw6 h GLY 100 Ca 0.12 -0.33 -0.17 0.00 0.00 0.00 0.00 47.33 46.95 2kw6 h GLY 100 CO 0.02 0.32 -0.51 1.41 0.00 0.00 0.00 176.54 177.78 2kw6 h LEU 101 N 0.69 0.81 -0.71 3.11 3.38 -1.03 -2.97 115.31 118.58 2kw6 h LEU 101 Ca 0.17 -0.42 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 2kw6 h LEU 101 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2kw6 h LEU 101 CO -0.02 1.17 -0.39 0.58 0.09 0.00 0.00 178.44 179.87 2kw6 h VAL 102 N 0.57 1.30 0.00 1.22 2.07 -0.93 -1.03 116.25 119.46 2kw6 h VAL 102 Ca 0.02 -1.55 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 2kw6 h VAL 102 Cb 1.08 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 2kw6 h VAL 102 CO 0.11 0.49 -0.26 0.03 0.02 0.00 0.00 177.57 177.95 2kw6 h ARG 103 N 0.44 0.00 0.02 1.57 3.08 -1.25 0.30 114.38 118.54 2kw6 h ARG 103 Ca 0.04 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.88 2kw6 h ARG 103 Cb 0.88 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 2kw6 h ARG 103 CO 0.08 0.26 -0.99 0.93 -1.07 0.00 0.00 179.97 179.18 2kw6 h GLU 104 N 0.00 0.07 -0.66 0.04 4.39 -1.29 -1.34 114.58 115.78 2kw6 h GLU 104 Ca -0.00 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 2kw6 h GLU 104 Cb 0.68 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 2kw6 h GLU 104 CO 0.03 0.99 0.11 0.00 -1.16 0.00 0.00 179.01 178.99 2kw6 h LEU 106 N 1.02 0.77 -1.83 0.00 3.38 -0.97 -0.54 115.31 117.14 2kw6 h LEU 106 Ca 0.20 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2kw6 h LEU 106 Cb 0.43 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2kw6 h LEU 106 CO 0.01 1.16 -0.07 0.00 0.09 0.00 0.00 178.44 179.63 2kw6 h ALA 107 N 0.85 1.86 0.00 1.53 0.00 -1.11 -0.45 119.26 121.94 2kw6 h ALA 107 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kw6 h ALA 107 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2kw6 h ALA 107 CO 0.11 0.10 -0.07 1.49 0.00 0.00 0.00 179.25 180.88 2kw6 h GLU 108 N 0.01 0.00 -0.85 0.00 4.81 -1.22 -3.35 114.58 113.99 2kw6 h GLU 108 Ca 0.00 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.45 2kw6 h GLU 108 Cb 0.14 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 2kw6 h GLU 108 CO 0.01 0.00 0.59 1.15 -0.73 0.00 0.00 179.01 180.03 2kw6 h THR 109 N -0.90 0.63 -0.20 0.32 2.02 -1.10 -0.93 112.91 112.75 2kw6 h THR 109 Ca 0.00 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 2kw6 h THR 109 Cb 0.07 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2kw6 h THR 109 CO 0.00 0.03 0.10 -0.08 0.37 0.00 0.00 175.52 175.95 2kw6 h GLU 110 N 0.18 0.28 0.00 6.66 4.81 -1.21 0.38 114.58 125.68 2kw6 h GLU 110 Ca 0.42 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 2kw6 h GLU 110 Cb 1.37 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2kw6 h GLU 110 CO -0.08 0.29 0.00 0.00 -0.73 0.00 0.00 179.01 178.49 2kw6 h ARG 111 N 0.20 0.00 -0.01 1.92 2.47 -1.32 -2.76 114.38 114.88 2kw6 h ARG 111 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2kw6 h ARG 111 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2kw6 h ARG 111 CO -0.01 0.00 -0.42 0.09 0.56 0.00 0.00 179.97 180.19 2kw6 n ASN 112 N -3.02 1.79 -3.15 7.04 3.02 -0.78 -4.92 115.26 115.23 2kw6 n ASN 112 Ca 0.01 -1.39 0.06 0.00 -0.03 0.00 0.00 54.58 53.22 2kw6 n ASN 112 Cb 0.31 0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 39.96 2kw6 n ASN 112 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kw6 s ALA 113 N -2.19 -3.81 0.00 5.41 0.00 0.13 -5.03 121.76 116.27 2kw6 s ALA 113 Ca 0.15 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.46 2kw6 s ALA 113 Cb 0.15 -2.62 0.01 0.00 0.00 0.00 0.00 23.12 20.66 2kw6 s ALA 113 CO 0.49 -1.58 0.67 -2.13 0.00 0.00 0.00 175.76 173.22 2kw6 n ARG 114 N 5.43 0.00 0.00 0.00 0.63 -1.22 -4.02 116.66 117.48 2kw6 n ARG 114 Ca -0.06 -0.35 0.00 0.00 -0.92 0.00 0.00 57.85 56.52 2kw6 n ARG 114 Cb 0.55 0.13 0.00 0.00 0.45 0.00 0.00 32.46 33.59 2kw6 n ARG 114 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57