#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 -1.19 -0.27 -5.12 0.00 -1.26 -5.13 107.32 94.35 2kw6 s GLY 52 Ca 0.00 1.40 -0.29 0.00 0.00 0.00 0.00 44.72 45.83 2kw6 s GLY 52 CO 0.00 3.97 1.38 0.30 0.00 0.00 0.00 173.10 178.75 2kw6 s HIS 53 N 2.57 2.55 0.17 1.90 4.02 -1.26 -4.91 115.29 120.33 2kw6 s HIS 53 Ca 0.19 0.79 0.08 0.00 1.02 0.00 0.00 55.06 57.14 2kw6 s HIS 53 Cb -0.03 -3.89 -0.02 0.00 -1.02 0.00 0.00 32.58 27.61 2kw6 s HIS 53 CO -0.20 -2.04 1.39 0.45 1.02 0.00 0.00 174.74 175.36 2kw6 h HIS 54 N 9.55 0.02 -3.43 1.40 -0.00 -2.10 -3.43 115.15 117.16 2kw6 h HIS 54 Ca -0.28 -0.01 -0.57 0.00 -0.00 0.00 0.00 60.37 59.51 2kw6 h HIS 54 Cb 1.11 -0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.46 2kw6 h HIS 54 CO 0.88 0.88 0.88 -1.01 -0.00 0.00 0.00 177.93 179.57 2kw6 s HIS 55 N -3.01 3.01 0.14 2.45 4.02 -1.26 -5.02 115.29 115.62 2kw6 s HIS 55 Ca 0.00 1.02 0.01 0.00 1.02 0.00 0.00 55.06 57.11 2kw6 s HIS 55 Cb 0.11 -3.94 -0.00 0.00 -1.02 0.00 0.00 32.58 27.72 2kw6 s HIS 55 CO 0.80 -0.98 0.02 0.72 1.02 0.00 0.00 174.74 176.32 2kw6 n HIS 56 N 7.23 0.23 -2.40 1.40 8.25 -1.26 -5.06 115.22 123.62 2kw6 n HIS 56 Ca 0.12 -0.78 -0.42 0.00 -0.26 0.00 0.00 57.72 56.38 2kw6 n HIS 56 Cb 0.48 -0.06 -0.00 0.00 1.12 0.00 0.00 29.99 31.52 2kw6 n HIS 56 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kw6 n HIS 57 N -0.34 4.39 -2.60 4.41 -0.00 -1.26 -4.96 115.22 114.85 2kw6 n HIS 57 Ca -0.05 -2.82 -0.41 0.00 -0.00 0.00 0.00 57.72 54.44 2kw6 n HIS 57 Cb 0.19 -2.62 -0.04 0.00 -0.00 0.00 0.00 29.99 27.53 2kw6 n HIS 57 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kw6 s HIS 58 N 4.21 3.64 -0.18 4.41 5.65 -1.26 -4.96 115.29 126.80 2kw6 s HIS 58 Ca 0.53 1.62 -0.33 0.00 0.25 0.00 0.00 55.06 57.14 2kw6 s HIS 58 Cb 0.06 -3.20 -0.10 0.00 -1.18 0.00 0.00 32.58 28.16 2kw6 s HIS 58 CO 0.05 -0.36 2.06 0.45 -0.65 0.00 0.00 174.74 176.29 2kw6 n SER 59 N 3.14 3.11 -4.74 9.88 2.88 -1.26 -4.94 113.62 121.69 2kw6 n SER 59 Ca 0.05 0.62 -0.41 0.00 -1.33 0.00 0.00 58.87 57.80 2kw6 n SER 59 Cb 0.48 -1.40 -0.05 0.00 -0.75 0.00 0.00 64.21 62.49 2kw6 n SER 59 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2kw6 s HIS 60 N 6.06 3.83 0.93 0.66 4.02 -1.26 -5.08 115.29 124.45 2kw6 s HIS 60 Ca 0.99 1.80 -0.15 0.00 1.02 0.00 0.00 55.06 58.72 2kw6 s HIS 60 Cb -0.63 -3.07 0.17 0.00 -1.02 0.00 0.00 32.58 28.03 2kw6 s HIS 60 CO 0.46 0.13 1.29 -1.54 1.02 0.00 0.00 174.74 176.10 2kw6 s SER 61 N -0.43 3.42 0.30 1.40 1.04 -1.26 -4.90 113.70 113.28 2kw6 s SER 61 Ca 0.45 0.39 0.07 0.00 0.48 0.00 0.00 55.95 57.34 2kw6 s SER 61 Cb -0.25 -0.54 0.48 0.00 0.10 0.00 0.00 66.02 65.80 2kw6 s SER 61 CO 0.32 -2.55 1.72 0.50 0.98 0.00 0.00 173.24 174.20 2kw6 h LYS 62 N -1.52 0.24 0.00 4.02 3.64 -1.99 -0.88 116.57 120.08 2kw6 h LYS 62 Ca -0.45 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 58.71 2kw6 h LYS 62 Cb 1.26 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 2kw6 h LYS 62 CO 0.45 0.60 -0.56 1.88 -2.27 0.00 0.00 179.45 179.54 2kw6 h TYR 63 N 0.20 0.00 0.00 1.91 0.05 -1.98 -1.70 116.97 115.45 2kw6 h TYR 63 Ca 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 2kw6 h TYR 63 Cb 0.78 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.52 2kw6 h TYR 63 CO 0.01 0.56 -0.07 0.00 -1.05 0.00 0.00 178.16 177.61 2kw6 h ALA 64 N 1.44 0.97 -0.06 3.88 0.00 -1.81 -0.55 119.26 123.13 2kw6 h ALA 64 Ca -0.01 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2kw6 h ALA 64 Cb 1.09 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.87 2kw6 h ALA 64 CO 0.07 0.08 -0.43 1.49 0.00 0.00 0.00 179.25 180.47 2kw6 h GLU 65 N 0.00 0.40 -0.63 0.00 4.57 -0.96 -2.47 114.58 115.49 2kw6 h GLU 65 Ca -0.00 -0.35 -0.04 0.00 -1.18 0.00 0.00 59.36 57.79 2kw6 h GLU 65 Cb 0.87 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.51 2kw6 h GLU 65 CO 0.01 0.99 0.23 1.25 -1.18 0.00 0.00 179.01 180.31 2kw6 h LEU 66 N -0.08 0.86 0.19 1.64 5.85 -1.21 -0.67 115.31 121.88 2kw6 h LEU 66 Ca -0.04 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 2kw6 h LEU 66 Cb 1.09 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 2kw6 h LEU 66 CO 0.09 0.78 -0.14 0.25 -0.34 0.00 0.00 178.44 179.08 2kw6 h LEU 67 N 0.91 -0.36 -1.34 2.25 5.85 -1.17 -2.80 115.31 118.65 2kw6 h LEU 67 Ca 0.21 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 2kw6 h LEU 67 Cb 0.21 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2kw6 h LEU 67 CO -0.01 -0.22 -0.18 0.00 -0.34 0.00 0.00 178.44 177.69 2kw6 h ALA 68 N 0.46 1.45 0.18 1.25 0.00 -0.90 -2.42 119.26 119.28 2kw6 h ALA 68 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2kw6 h ALA 68 Cb 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2kw6 h ALA 68 CO -0.01 0.39 -0.09 0.82 0.00 0.00 0.00 179.25 180.36 2kw6 h ILE 69 N 0.21 0.88 -0.55 0.00 2.04 -1.15 -3.10 117.51 115.83 2kw6 h ILE 69 Ca 0.04 -0.98 -0.09 0.00 1.00 0.00 0.00 64.86 64.83 2kw6 h ILE 69 Cb 0.45 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 2kw6 h ILE 69 CO 0.03 0.20 -0.01 0.40 0.00 0.00 0.00 178.15 178.76 2kw6 h ILE 70 N -0.78 1.26 0.00 -0.67 2.04 -1.38 -1.37 117.51 116.61 2kw6 h ILE 70 Ca -0.03 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 2kw6 h ILE 70 Cb 0.52 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2kw6 h ILE 70 CO 0.04 0.40 -0.03 1.05 0.00 0.00 0.00 178.15 179.61 2kw6 h GLU 71 N 0.88 0.00 0.13 2.37 4.11 -1.58 -2.73 114.58 117.76 2kw6 h GLU 71 Ca 0.16 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.35 2kw6 h GLU 71 Cb 0.54 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.81 2kw6 h GLU 71 CO 0.03 0.03 -1.03 1.49 0.07 0.00 0.00 179.01 179.60 2kw6 h GLU 72 N 0.00 0.47 -0.64 1.06 4.81 -1.22 -3.31 114.58 115.76 2kw6 h GLU 72 Ca -0.00 -0.68 0.14 0.00 -0.13 0.00 0.00 59.36 58.69 2kw6 h GLU 72 Cb 0.49 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.06 2kw6 h GLU 72 CO 0.00 1.30 0.44 -0.07 -0.73 0.00 0.00 179.01 179.95 2kw6 h LEU 73 N -0.03 0.24 -1.23 1.64 3.38 -0.98 0.18 115.31 118.50 2kw6 h LEU 73 Ca -0.16 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2kw6 h LEU 73 Cb 1.76 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 2kw6 h LEU 73 CO 0.20 0.13 -0.15 1.23 0.09 0.00 0.00 178.44 179.94 2kw6 h GLY 74 N 0.25 0.38 1.33 0.83 0.00 -1.61 -2.83 103.07 101.43 2kw6 h GLY 74 Ca 0.31 -0.25 -0.20 0.00 0.00 0.00 0.00 47.33 47.19 2kw6 h GLY 74 CO -0.07 0.23 -0.68 0.50 0.00 0.00 0.00 176.54 176.52 2kw6 h LYS 75 N 0.33 0.67 0.00 4.80 1.79 -1.09 -3.26 116.57 119.82 2kw6 h LYS 75 Ca 0.06 -0.50 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2kw6 h LYS 75 Cb 0.46 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2kw6 h LYS 75 CO 0.03 1.12 0.00 0.39 -1.08 0.00 0.00 179.45 179.91 2kw6 n GLU 76 N -3.93 0.22 -0.04 3.15 -0.58 -0.92 -3.19 120.64 115.35 2kw6 n GLU 76 Ca -0.05 0.35 -0.10 0.00 -0.42 0.00 0.00 57.16 56.93 2kw6 n GLU 76 Cb 0.69 -1.85 -0.04 0.00 -0.57 0.00 0.00 31.44 29.67 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 1.10 -0.03 -3.67 2.04 -1.55 -3.04 117.51 112.35 2kw6 h ILE 77 Ca 0.00 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.64 2kw6 h ILE 77 Cb 0.50 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 2kw6 h ILE 77 CO 0.00 0.09 -0.34 0.03 0.00 0.00 0.00 178.15 177.94 2kw6 h ARG 78 N 0.20 -0.45 0.00 2.37 3.08 -1.75 -0.18 114.38 117.65 2kw6 h ARG 78 Ca 0.06 0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 2kw6 h ARG 78 Cb 0.06 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2kw6 h ARG 78 CO -0.01 -0.30 -0.51 -1.00 -1.07 0.00 0.00 179.97 177.08 2kw6 h PRO 79 N -0.47 0.00 -0.27 0.04 0.13 -1.79 -2.33 132.00 127.31 2kw6 h PRO 79 Ca 0.07 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.23 2kw6 h PRO 79 Cb 0.57 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.67 2kw6 h PRO 79 CO -0.29 0.51 0.07 1.15 -0.23 0.00 0.00 178.00 179.20 2kw6 h THR 80 N 0.00 0.89 0.00 1.56 2.02 -1.32 -1.58 112.91 114.48 2kw6 h THR 80 Ca -0.01 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 2kw6 h THR 80 Cb 1.11 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2kw6 h THR 80 CO 0.07 0.03 -0.16 0.22 0.37 0.00 0.00 175.52 176.05 2kw6 h TYR 81 N 0.17 0.00 -0.16 3.16 3.20 -0.97 -2.03 116.97 120.33 2kw6 h TYR 81 Ca 0.12 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 2kw6 h TYR 81 Cb 0.11 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2kw6 h TYR 81 CO -0.15 0.16 0.01 0.00 -1.64 0.00 0.00 178.16 176.54 2kw6 n ALA 82 N -2.47 2.91 -1.67 1.82 0.00 -0.77 -4.88 120.51 115.45 2kw6 n ALA 82 Ca -0.02 -0.54 -0.07 0.00 0.00 0.00 0.00 53.44 52.81 2kw6 n ALA 82 Cb 0.23 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 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 0.17 0.48 3.57 0.00 0.00 -0.76 -4.99 105.19 103.65 2kw6 n GLY 83 Ca 0.08 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.82 6.49 0.49 1.61 0.01 -0.67 -4.92 113.70 113.89 2kw6 s SER 84 Ca 0.00 0.17 0.18 0.00 1.31 0.00 0.00 55.95 57.61 2kw6 s SER 84 Cb 0.00 -2.38 1.24 0.00 0.21 0.00 0.00 66.02 65.08 2kw6 s SER 84 CO 0.00 -0.77 2.08 0.50 0.41 0.00 0.00 173.24 175.46 2kw6 h LYS 85 N 8.64 0.00 -0.15 12.44 3.64 -1.91 -2.56 116.57 136.66 2kw6 h LYS 85 Ca -0.25 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.01 2kw6 h LYS 85 Cb 1.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2kw6 h LYS 85 CO 0.91 0.10 -0.36 0.66 -2.27 0.00 0.00 179.45 178.49 2kw6 h SER 86 N 0.00 0.59 -0.25 4.20 4.64 -1.96 -3.20 113.55 117.56 2kw6 h SER 86 Ca -0.00 -0.57 -0.19 0.00 -0.47 0.00 0.00 61.79 60.56 2kw6 h SER 86 Cb 0.19 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2kw6 h SER 86 CO 0.01 1.05 -0.57 0.00 -0.87 0.00 0.00 176.83 176.46 2kw6 h ALA 87 N 0.55 0.47 -0.37 5.18 0.00 -1.85 -2.65 119.26 120.59 2kw6 h ALA 87 Ca -0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2kw6 h ALA 87 Cb 0.97 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2kw6 h ALA 87 CO 0.08 0.68 0.08 0.00 0.00 0.00 0.00 179.25 180.09 2kw6 h MET 88 N 0.65 0.55 -0.54 0.00 -0.00 -1.58 -0.30 114.93 113.71 2kw6 h MET 88 Ca 0.01 -0.09 -0.11 0.00 -0.00 0.00 0.00 59.70 59.51 2kw6 h MET 88 Cb 1.18 -0.09 -0.02 0.00 -0.00 0.00 0.00 31.60 32.67 2kw6 h MET 88 CO 0.12 0.52 -0.07 0.93 -0.00 0.00 0.00 176.91 178.41 2kw6 h GLU 89 N 0.54 1.01 -0.41 -0.10 5.08 -1.52 -0.69 114.58 118.49 2kw6 h GLU 89 Ca 0.12 -0.36 -0.15 0.00 -1.00 0.00 0.00 59.36 57.98 2kw6 h GLU 89 Cb 0.23 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2kw6 h GLU 89 CO -0.00 1.04 -0.32 0.00 -1.00 0.00 0.00 179.01 178.73 2kw6 h ARG 90 N 0.89 0.93 -0.73 2.33 2.47 -1.10 -0.70 114.38 118.48 2kw6 h ARG 90 Ca 0.14 -0.45 -0.05 0.00 -1.26 0.00 0.00 59.98 58.36 2kw6 h ARG 90 Cb 0.63 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.92 2kw6 h ARG 90 CO 0.04 1.11 0.25 1.25 0.56 0.00 0.00 179.97 183.19 2kw6 h LEU 91 N 0.78 1.03 0.14 3.04 5.85 -1.04 -2.39 115.31 122.72 2kw6 h LEU 91 Ca 0.08 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2kw6 h LEU 91 Cb 0.90 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2kw6 h LEU 91 CO 0.08 0.95 -0.07 0.50 -0.34 0.00 0.00 178.44 179.57 2kw6 h LYS 92 N 1.06 -0.18 -0.72 1.25 3.64 -0.95 -2.13 116.57 118.54 2kw6 h LYS 92 Ca 0.24 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.58 2kw6 h LYS 92 Cb 0.27 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2kw6 h LYS 92 CO -0.01 0.17 0.26 -0.09 -2.27 0.00 0.00 179.45 177.51 2kw6 h ARG 93 N -0.55 1.10 -0.36 1.90 2.43 -1.15 -2.00 114.38 115.75 2kw6 h ARG 93 Ca -0.02 -0.22 -0.14 0.00 -0.81 0.00 0.00 59.98 58.79 2kw6 h ARG 93 Cb 0.43 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2kw6 h ARG 93 CO 0.03 0.92 -0.33 0.78 -1.51 0.00 0.00 179.97 179.86 2kw6 h GLY 94 N 1.05 0.88 0.97 2.80 0.00 -1.49 -0.98 103.07 106.32 2kw6 h GLY 94 Ca 0.24 -0.85 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 2kw6 h GLY 94 CO -0.01 0.77 -0.17 -2.22 0.00 0.00 0.00 176.54 174.90 2kw6 h ILE 95 N 0.68 0.65 -0.14 2.60 2.04 -1.05 -0.24 117.51 122.04 2kw6 h ILE 95 Ca 0.07 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 2kw6 h ILE 95 Cb 0.88 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2kw6 h ILE 95 CO 0.08 0.01 -0.14 0.40 0.00 0.00 0.00 178.15 178.50 2kw6 h ILE 96 N -0.52 1.18 -0.68 -0.67 5.03 -1.40 -1.74 117.51 118.71 2kw6 h ILE 96 Ca -0.05 -0.79 -0.07 0.00 -0.12 0.00 0.00 64.86 63.83 2kw6 h ILE 96 Cb 0.39 1.23 -0.03 0.00 -3.03 0.00 0.00 36.82 35.38 2kw6 h ILE 96 CO 0.08 0.24 0.15 -0.74 -0.68 0.00 0.00 178.15 177.20 2kw6 h HIS 97 N 0.21 1.15 -0.30 1.37 2.76 -0.98 -1.77 115.15 117.60 2kw6 h HIS 97 Ca 0.04 -0.14 -0.10 0.00 -2.20 0.00 0.00 60.37 57.97 2kw6 h HIS 97 Cb 0.38 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 2kw6 h HIS 97 CO 0.01 0.95 -0.24 0.00 -1.30 0.00 0.00 177.93 177.34 2kw6 h ALA 98 N 1.12 1.03 -0.08 5.26 0.00 -0.28 -2.80 119.26 123.50 2kw6 h ALA 98 Ca 0.21 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2kw6 h ALA 98 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kw6 h ALA 98 CO 0.01 0.58 -0.41 -0.09 0.00 0.00 0.00 179.25 179.34 2kw6 h ARG 99 N 0.51 0.18 -0.36 0.00 2.43 -1.12 -2.78 114.38 113.23 2kw6 h ARG 99 Ca 0.07 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2kw6 h ARG 99 Cb 0.69 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 2kw6 h ARG 99 CO 0.05 0.56 0.14 0.78 -1.51 0.00 0.00 179.97 180.00 2kw6 h GLY 100 N 1.23 0.55 0.81 2.80 0.00 -1.05 -1.61 103.07 105.80 2kw6 h GLY 100 Ca 0.01 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 2kw6 h GLY 100 CO 0.06 0.24 -0.24 1.41 0.00 0.00 0.00 176.54 178.01 2kw6 h LEU 101 N 0.51 0.51 -0.54 3.11 3.38 -1.46 -3.26 115.31 117.56 2kw6 h LEU 101 Ca 0.13 -0.51 -0.13 0.00 0.09 0.00 0.00 57.88 57.45 2kw6 h LEU 101 Cb 0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2kw6 h LEU 101 CO -0.01 0.93 -0.64 0.58 0.09 0.00 0.00 178.44 179.38 2kw6 h VAL 102 N 0.11 1.32 0.00 1.22 2.07 -1.31 -1.85 116.25 117.82 2kw6 h VAL 102 Ca 0.02 -2.30 -0.17 0.00 0.82 0.00 0.00 66.70 65.07 2kw6 h VAL 102 Cb 0.81 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 2kw6 h VAL 102 CO 0.06 0.63 -0.80 0.08 0.02 0.00 0.00 177.57 177.55 2kw6 h ARG 103 N 0.00 0.00 0.00 1.57 0.11 -1.42 -0.04 114.38 114.60 2kw6 h ARG 103 Ca -0.01 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.94 2kw6 h ARG 103 Cb 1.24 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.30 2kw6 h ARG 103 CO 0.08 0.80 -0.64 0.93 0.10 0.00 0.00 179.97 181.25 2kw6 h GLU 104 N 0.00 0.00 0.00 0.08 5.08 -1.58 -2.43 114.58 115.73 2kw6 h GLU 104 Ca -0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2kw6 h GLU 104 Cb 1.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 2kw6 h GLU 104 CO 0.10 0.64 -0.32 0.00 -1.00 0.00 0.00 179.01 178.44 2kw6 h LEU 106 N 0.00 -0.34 -1.55 0.00 3.38 -0.84 -2.59 115.31 113.37 2kw6 h LEU 106 Ca -0.00 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 57.88 2kw6 h LEU 106 Cb 0.87 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 2kw6 h LEU 106 CO 0.04 0.11 0.46 0.00 0.09 0.00 0.00 178.44 179.14 2kw6 h ALA 107 N -0.47 1.98 0.56 1.53 0.00 -1.43 0.37 119.26 121.80 2kw6 h ALA 107 Ca -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2kw6 h ALA 107 Cb 0.51 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kw6 h ALA 107 CO 0.07 -0.14 -0.27 1.49 0.00 0.00 0.00 179.25 180.40 2kw6 h GLU 108 N 0.49 -0.72 0.00 0.00 4.57 -1.44 -2.45 114.58 115.03 2kw6 h GLU 108 Ca 0.32 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 2kw6 h GLU 108 Cb 0.60 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2kw6 h GLU 108 CO -0.10 -0.41 0.00 1.15 -1.18 0.00 0.00 179.01 178.46 2kw6 h THR 109 N -0.97 0.00 0.06 0.32 2.02 -0.95 -2.39 112.91 111.01 2kw6 h THR 109 Ca -0.08 -0.26 -0.26 0.00 0.77 0.00 0.00 66.41 66.58 2kw6 h THR 109 Cb 0.64 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 2kw6 h THR 109 CO 0.13 0.00 -1.28 -0.08 0.37 0.00 0.00 175.52 174.66 2kw6 h GLU 110 N 0.00 0.13 0.00 6.66 4.81 -0.24 0.19 114.58 126.13 2kw6 h GLU 110 Ca 0.00 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 58.92 2kw6 h GLU 110 Cb 0.35 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2kw6 h GLU 110 CO 0.00 1.02 -0.42 0.00 -0.73 0.00 0.00 179.01 178.88 2kw6 h ARG 111 N 0.04 0.00 0.00 1.92 3.08 -0.98 -3.38 114.38 115.06 2kw6 h ARG 111 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2kw6 h ARG 111 Cb 1.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.96 2kw6 h ARG 111 CO 0.15 0.42 0.00 -1.71 -1.07 0.00 0.00 179.97 177.76 2kw6 n ASN 112 N -3.78 0.00 -3.45 7.04 5.15 -0.94 -4.98 115.26 114.30 2kw6 n ASN 112 Ca -0.01 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.69 2kw6 n ASN 112 Cb 0.49 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.62 2kw6 n ASN 112 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kw6 s ALA 113 N -3.99 0.77 -0.08 5.20 0.00 0.65 -5.07 121.76 119.23 2kw6 s ALA 113 Ca 0.00 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 49.93 2kw6 s ALA 113 Cb 0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 2kw6 s ALA 113 CO 0.00 -2.09 1.40 0.50 0.00 0.00 0.00 175.76 175.57 2kw6 s ARG 114 N 1.16 4.24 0.00 0.00 3.00 -1.10 -4.75 118.95 121.49 2kw6 s ARG 114 Ca 0.18 1.88 0.02 0.00 -1.00 0.00 0.00 55.73 56.81 2kw6 s ARG 114 Cb -0.22 -3.76 0.12 0.00 0.00 0.00 0.00 34.95 31.09 2kw6 s ARG 114 CO -0.01 -0.69 0.61 0.43 0.00 0.00 0.00 175.30 175.64