#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw6 n GLY 52 N 0.00 4.66 0.40 3.03 0.00 -1.26 -4.22 105.19 107.80 2kw6 n GLY 52 Ca 0.00 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 44.12 2kw6 n GLY 52 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kw6 n HIS 53 N 1.05 0.00 -2.25 1.61 -0.00 -1.26 -4.99 115.22 109.38 2kw6 n HIS 53 Ca 0.53 -0.96 -0.32 0.00 -0.00 0.00 0.00 57.72 56.97 2kw6 n HIS 53 Cb 0.45 -0.16 -0.04 0.00 -0.00 0.00 0.00 29.99 30.24 2kw6 n HIS 53 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kw6 s HIS 54 N -2.33 2.11 -0.23 4.41 3.76 -1.26 -4.95 115.29 116.80 2kw6 s HIS 54 Ca 0.29 0.00 -0.29 0.00 -0.15 0.00 0.00 55.06 54.91 2kw6 s HIS 54 Cb 0.27 -4.30 0.01 0.00 1.11 0.00 0.00 32.58 29.67 2kw6 s HIS 54 CO -0.02 -1.77 1.09 -1.01 -0.85 0.00 0.00 174.74 172.18 2kw6 s HIS 55 N 8.12 3.22 -1.24 1.40 4.02 -1.26 -4.97 115.29 124.58 2kw6 s HIS 55 Ca 0.61 1.35 -0.15 0.00 1.02 0.00 0.00 55.06 57.89 2kw6 s HIS 55 Cb -0.03 -3.37 0.14 0.00 -1.02 0.00 0.00 32.58 28.29 2kw6 s HIS 55 CO -0.02 -0.74 1.55 0.72 1.02 0.00 0.00 174.74 177.27 2kw6 n HIS 56 N 6.47 4.80 -2.33 1.40 8.25 -1.26 -4.97 115.22 127.57 2kw6 n HIS 56 Ca 0.12 -3.18 -0.42 0.00 -0.26 0.00 0.00 57.72 53.98 2kw6 n HIS 56 Cb 0.46 -2.32 -0.02 0.00 1.12 0.00 0.00 29.99 29.23 2kw6 n HIS 56 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kw6 s HIS 57 N 2.33 2.28 0.05 4.41 2.46 -1.26 -4.72 115.29 120.83 2kw6 s HIS 57 Ca 0.46 0.59 0.00 0.00 0.47 0.00 0.00 55.06 56.58 2kw6 s HIS 57 Cb -0.00 -4.33 0.00 0.00 -0.13 0.00 0.00 32.58 28.12 2kw6 s HIS 57 CO 0.02 -2.05 0.00 0.72 -2.47 0.00 0.00 174.74 170.97 2kw6 n HIS 58 N 9.43 -0.40 -2.40 3.88 8.25 -1.26 -5.09 115.22 127.62 2kw6 n HIS 58 Ca 0.15 0.07 -0.43 0.00 -0.26 0.00 0.00 57.72 57.26 2kw6 n HIS 58 Cb 0.49 0.41 -0.02 0.00 1.12 0.00 0.00 29.99 31.99 2kw6 n HIS 58 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kw6 s SER 59 N -5.04 6.89 -0.24 0.41 0.15 -1.26 -4.90 113.70 109.72 2kw6 s SER 59 Ca 0.00 1.65 0.12 0.00 0.70 0.00 0.00 55.95 58.43 2kw6 s SER 59 Cb 0.00 -2.54 0.51 0.00 -1.71 0.00 0.00 66.02 62.28 2kw6 s SER 59 CO 0.00 -0.81 1.44 1.41 1.20 0.00 0.00 173.24 176.48 2kw6 n HIS 60 N 6.78 1.03 -1.29 3.44 -0.00 -1.26 -4.77 115.22 119.14 2kw6 n HIS 60 Ca 0.14 -1.28 -0.34 0.00 -0.00 0.00 0.00 57.72 56.24 2kw6 n HIS 60 Cb 0.45 -0.41 0.11 0.00 -0.00 0.00 0.00 29.99 30.13 2kw6 n HIS 60 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2kw6 s SER 61 N -2.27 3.91 0.13 0.41 0.01 -1.26 -4.81 113.70 109.81 2kw6 s SER 61 Ca 0.43 2.37 -0.19 0.00 1.31 0.00 0.00 55.95 59.88 2kw6 s SER 61 Cb 0.38 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 64.00 2kw6 s SER 61 CO 0.04 -2.45 1.74 0.11 0.41 0.00 0.00 173.24 173.08 2kw6 h LYS 62 N -0.57 0.13 0.00 12.44 1.79 -1.98 -1.06 116.57 127.33 2kw6 h LYS 62 Ca -0.47 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 57.99 2kw6 h LYS 62 Cb 1.30 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2kw6 h LYS 62 CO 0.48 0.09 -0.03 1.88 -1.08 0.00 0.00 179.45 180.79 2kw6 h TYR 63 N 0.14 0.00 -0.22 -1.35 0.05 -1.95 -1.13 116.97 112.51 2kw6 h TYR 63 Ca 0.10 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.68 2kw6 h TYR 63 Cb 0.10 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.84 2kw6 h TYR 63 CO -0.15 0.03 -0.66 0.00 -1.05 0.00 0.00 178.16 176.33 2kw6 h ALA 64 N 1.97 0.38 -0.14 3.88 0.00 -1.76 -1.18 119.26 122.41 2kw6 h ALA 64 Ca -0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 54.91 54.13 2kw6 h ALA 64 Cb 0.80 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.55 2kw6 h ALA 64 CO 0.00 0.67 -0.79 1.49 0.00 0.00 0.00 179.25 180.63 2kw6 h GLU 65 N 0.60 0.77 -0.35 0.00 4.57 -1.15 -2.68 114.58 116.34 2kw6 h GLU 65 Ca -0.02 -0.64 -0.05 0.00 -1.18 0.00 0.00 59.36 57.48 2kw6 h GLU 65 Cb 1.28 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.99 2kw6 h GLU 65 CO 0.14 1.24 0.04 1.25 -1.18 0.00 0.00 179.01 180.50 2kw6 h LEU 66 N 0.52 0.57 -0.74 1.64 5.85 -1.25 -1.57 115.31 120.33 2kw6 h LEU 66 Ca -0.05 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 2kw6 h LEU 66 Cb 1.42 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 2kw6 h LEU 66 CO 0.16 0.70 0.35 0.25 -0.34 0.00 0.00 178.44 179.56 2kw6 h LEU 67 N 0.41 0.98 -0.94 2.25 5.85 -1.28 -2.73 115.31 119.87 2kw6 h LEU 67 Ca 0.10 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 2kw6 h LEU 67 Cb 0.38 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2kw6 h LEU 67 CO 0.01 0.85 0.10 0.00 -0.34 0.00 0.00 178.44 179.06 2kw6 h ALA 68 N 1.17 1.13 -0.67 1.25 0.00 -1.26 -1.59 119.26 119.30 2kw6 h ALA 68 Ca 0.25 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2kw6 h ALA 68 Cb 0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2kw6 h ALA 68 CO -0.03 0.58 0.41 0.82 0.00 0.00 0.00 179.25 181.03 2kw6 h ILE 69 N 0.84 1.07 -0.71 0.00 2.04 -1.08 -2.36 117.51 117.31 2kw6 h ILE 69 Ca 0.18 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 2kw6 h ILE 69 Cb 0.35 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2kw6 h ILE 69 CO 0.01 0.15 0.24 0.40 0.00 0.00 0.00 178.15 178.94 2kw6 h ILE 70 N 0.80 1.26 0.00 -0.67 2.04 -1.11 -1.44 117.51 118.39 2kw6 h ILE 70 Ca 0.27 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 2kw6 h ILE 70 Cb 0.04 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2kw6 h ILE 70 CO -0.11 0.34 -0.02 -0.33 0.00 0.00 0.00 178.15 178.02 2kw6 h GLU 71 N 1.04 0.00 0.28 2.37 4.39 -0.97 -1.33 114.58 120.36 2kw6 h GLU 71 Ca 0.23 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 2kw6 h GLU 71 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2kw6 h GLU 71 CO -0.01 0.02 -0.13 1.49 -1.16 0.00 0.00 179.01 179.21 2kw6 h GLU 72 N 0.00 -0.36 -1.04 2.33 4.57 -0.90 -3.35 114.58 115.84 2kw6 h GLU 72 Ca -0.00 0.02 0.29 0.00 -1.18 0.00 0.00 59.36 58.50 2kw6 h GLU 72 Cb 0.03 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 2kw6 h GLU 72 CO 0.00 -0.24 0.73 -0.07 -1.18 0.00 0.00 179.01 178.25 2kw6 h LEU 73 N -0.80 0.09 -0.50 1.64 3.38 -1.01 -1.07 115.31 117.04 2kw6 h LEU 73 Ca -0.04 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2kw6 h LEU 73 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2kw6 h LEU 73 CO 0.06 0.02 -0.74 1.23 0.09 0.00 0.00 178.44 179.11 2kw6 h GLY 74 N 0.09 0.12 1.79 0.83 0.00 -1.41 -2.91 103.07 101.57 2kw6 h GLY 74 Ca 0.51 -0.18 -0.21 0.00 0.00 0.00 0.00 47.33 47.45 2kw6 h GLY 74 CO -0.06 0.16 -0.93 0.50 0.00 0.00 0.00 176.54 176.20 2kw6 h LYS 75 N 0.07 0.18 0.00 4.80 1.79 -1.33 -3.31 116.57 118.77 2kw6 h LYS 75 Ca -0.02 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 2kw6 h LYS 75 Cb 1.31 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 2kw6 h LYS 75 CO 0.11 0.99 0.00 0.39 -1.08 0.00 0.00 179.45 179.85 2kw6 n GLU 76 N -3.61 0.14 -0.08 3.15 -0.58 -0.98 -3.47 120.64 115.20 2kw6 n GLU 76 Ca -0.04 0.07 -0.11 0.00 -0.42 0.00 0.00 57.16 56.66 2kw6 n GLU 76 Cb 0.85 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 30.17 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 1.25 0.55 -3.67 2.04 -1.61 -2.46 117.51 113.60 2kw6 h ILE 77 Ca 0.00 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 2kw6 h ILE 77 Cb 0.35 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2kw6 h ILE 77 CO 0.00 0.26 -0.44 0.03 0.00 0.00 0.00 178.15 178.01 2kw6 h ARG 78 N 0.19 -0.93 -0.17 2.37 2.47 -1.80 -1.79 114.38 114.73 2kw6 h ARG 78 Ca 0.07 0.06 -0.09 0.00 -1.26 0.00 0.00 59.98 58.76 2kw6 h ARG 78 Cb 0.38 0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 2kw6 h ARG 78 CO 0.01 -0.62 -0.30 -1.00 0.56 0.00 0.00 179.97 178.62 2kw6 h PRO 79 N -0.97 0.32 -0.59 0.04 0.13 -1.76 -1.27 132.00 127.91 2kw6 h PRO 79 Ca -0.06 -0.12 0.04 0.00 -0.87 0.00 0.00 66.00 64.98 2kw6 h PRO 79 Cb 0.82 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.89 2kw6 h PRO 79 CO -0.00 0.60 0.33 1.15 -0.23 0.00 0.00 178.00 179.85 2kw6 h THR 80 N 0.28 1.01 0.00 1.56 2.02 -1.38 -0.30 112.91 116.10 2kw6 h THR 80 Ca 0.04 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 2kw6 h THR 80 Cb 0.68 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2kw6 h THR 80 CO 0.05 0.12 -0.40 0.22 0.37 0.00 0.00 175.52 175.88 2kw6 h TYR 81 N 0.64 0.00 0.00 3.16 3.20 -1.17 -2.68 116.97 120.12 2kw6 h TYR 81 Ca 0.25 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.12 2kw6 h TYR 81 Cb 0.10 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.37 2kw6 h TYR 81 CO -0.08 0.40 0.00 0.00 -1.64 0.00 0.00 178.16 176.85 2kw6 n ALA 82 N -2.36 2.57 -0.39 1.82 0.00 -0.49 -4.90 120.51 116.76 2kw6 n ALA 82 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2kw6 n ALA 82 Cb 0.48 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.95 1.17 3.64 0.00 0.00 -0.70 -5.04 105.19 105.22 2kw6 n GLY 83 Ca 0.20 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.27 6.78 0.42 1.61 0.01 -0.22 -4.94 113.70 115.09 2kw6 s SER 84 Ca 0.00 0.96 0.20 0.00 1.31 0.00 0.00 55.95 58.42 2kw6 s SER 84 Cb 0.00 -2.41 0.91 0.00 0.21 0.00 0.00 66.02 64.73 2kw6 s SER 84 CO 0.00 -0.45 1.86 0.50 0.41 0.00 0.00 173.24 175.55 2kw6 h LYS 85 N 7.67 0.00 -0.08 12.44 3.64 -1.93 -3.13 116.57 135.18 2kw6 h LYS 85 Ca -0.25 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.07 2kw6 h LYS 85 Cb 1.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2kw6 h LYS 85 CO 0.84 0.30 -0.18 0.66 -2.27 0.00 0.00 179.45 178.79 2kw6 h SER 86 N 0.00 0.29 0.25 4.20 4.64 -1.96 -3.24 113.55 117.73 2kw6 h SER 86 Ca -0.00 -0.58 -0.14 0.00 -0.47 0.00 0.00 61.79 60.59 2kw6 h SER 86 Cb 0.67 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2kw6 h SER 86 CO 0.04 0.82 -0.54 0.00 -0.87 0.00 0.00 176.83 176.28 2kw6 h ALA 87 N 0.48 0.87 -0.04 5.18 0.00 -1.91 -2.20 119.26 121.64 2kw6 h ALA 87 Ca -0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 2kw6 h ALA 87 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2kw6 h ALA 87 CO 0.04 0.69 -0.44 0.00 0.00 0.00 0.00 179.25 179.54 2kw6 h MET 88 N 0.24 0.09 -0.31 0.00 -0.00 -1.67 0.22 114.93 113.51 2kw6 h MET 88 Ca 0.00 -0.04 -0.18 0.00 -0.00 0.00 0.00 59.70 59.48 2kw6 h MET 88 Cb 1.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.63 2kw6 h MET 88 CO 0.09 0.51 -0.51 0.93 -0.00 0.00 0.00 176.91 177.93 2kw6 h GLU 89 N 0.07 0.89 -0.66 -0.10 5.08 -1.51 -1.06 114.58 117.29 2kw6 h GLU 89 Ca 0.00 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 57.80 2kw6 h GLU 89 Cb 0.81 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 2kw6 h GLU 89 CO 0.06 1.18 0.31 0.00 -1.00 0.00 0.00 179.01 179.56 2kw6 h ARG 90 N 0.69 0.95 0.35 2.33 2.47 -1.21 -0.77 114.38 119.19 2kw6 h ARG 90 Ca 0.02 -0.14 -0.01 0.00 -1.26 0.00 0.00 59.98 58.59 2kw6 h ARG 90 Cb 1.12 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 29.27 2kw6 h ARG 90 CO 0.12 0.75 -0.20 1.25 0.56 0.00 0.00 179.97 182.45 2kw6 h LEU 91 N 0.91 -0.49 -0.39 3.04 5.85 -0.91 -2.12 115.31 121.19 2kw6 h LEU 91 Ca 0.23 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.99 2kw6 h LEU 91 Cb 0.12 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2kw6 h LEU 91 CO -0.03 -0.33 0.23 0.50 -0.34 0.00 0.00 178.44 178.47 2kw6 h LYS 92 N -0.52 0.45 0.25 1.25 3.64 -1.14 -2.08 116.57 118.42 2kw6 h LYS 92 Ca -0.04 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2kw6 h LYS 92 Cb 0.42 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2kw6 h LYS 92 CO 0.05 0.30 -0.38 -0.09 -2.27 0.00 0.00 179.45 177.06 2kw6 h ARG 93 N 0.46 -0.67 -0.55 1.90 2.43 -1.06 -1.94 114.38 114.96 2kw6 h ARG 93 Ca 0.16 0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.30 2kw6 h ARG 93 Cb 0.01 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2kw6 h ARG 93 CO -0.08 -0.44 0.04 0.78 -1.51 0.00 0.00 179.97 178.76 2kw6 h GLY 94 N -0.69 0.98 0.87 2.80 0.00 -1.32 -1.25 103.07 104.46 2kw6 h GLY 94 Ca -0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.67 2kw6 h GLY 94 CO -0.14 0.60 -0.04 -2.22 0.00 0.00 0.00 176.54 174.74 2kw6 h ILE 95 N 0.85 1.00 -0.60 2.60 2.04 -1.21 0.23 117.51 122.42 2kw6 h ILE 95 Ca 0.17 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2kw6 h ILE 95 Cb 0.45 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2kw6 h ILE 95 CO 0.02 0.07 0.33 0.40 0.00 0.00 0.00 178.15 178.97 2kw6 h ILE 96 N -0.25 1.19 -0.10 -0.67 2.04 -1.29 -1.74 117.51 116.70 2kw6 h ILE 96 Ca -0.01 -0.49 -0.10 0.00 1.00 0.00 0.00 64.86 65.26 2kw6 h ILE 96 Cb 0.21 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2kw6 h ILE 96 CO 0.02 0.21 -0.39 0.45 0.00 0.00 0.00 178.15 178.44 2kw6 h HIS 97 N 0.82 0.24 -0.27 1.37 3.86 -1.14 -1.91 115.15 118.12 2kw6 h HIS 97 Ca 0.21 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.29 2kw6 h HIS 97 Cb 0.04 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 2kw6 h HIS 97 CO -0.01 0.58 -0.11 0.00 0.86 0.00 0.00 177.93 179.24 2kw6 h ALA 98 N 1.42 0.38 -0.98 2.45 0.00 -0.25 -2.02 119.26 120.26 2kw6 h ALA 98 Ca 0.02 -0.31 0.13 0.00 0.00 0.00 0.00 54.91 54.75 2kw6 h ALA 98 Cb 0.78 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 2kw6 h ALA 98 CO 0.06 0.24 0.62 -0.09 0.00 0.00 0.00 179.25 180.07 2kw6 h ARG 99 N 0.29 0.88 -0.25 0.00 2.43 -1.22 -0.38 114.38 116.13 2kw6 h ARG 99 Ca 0.06 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2kw6 h ARG 99 Cb 0.62 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2kw6 h ARG 99 CO 0.04 0.58 0.15 0.78 -1.51 0.00 0.00 179.97 180.00 2kw6 h GLY 100 N 0.90 0.34 1.13 2.80 0.00 -0.89 -2.11 103.07 105.24 2kw6 h GLY 100 Ca 0.49 -0.11 -0.19 0.00 0.00 0.00 0.00 47.33 47.53 2kw6 h GLY 100 CO -0.26 0.10 -0.55 1.41 0.00 0.00 0.00 176.54 177.24 2kw6 h LEU 101 N 0.30 0.96 -0.13 3.11 3.38 -0.77 -2.85 115.31 119.31 2kw6 h LEU 101 Ca 0.10 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2kw6 h LEU 101 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2kw6 h LEU 101 CO -0.04 1.32 0.06 0.58 0.09 0.00 0.00 178.44 180.45 2kw6 h VAL 102 N 0.64 1.14 -0.23 1.22 2.07 -1.07 -1.36 116.25 118.65 2kw6 h VAL 102 Ca 0.01 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2kw6 h VAL 102 Cb 1.17 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2kw6 h VAL 102 CO 0.12 0.13 0.04 0.03 0.02 0.00 0.00 177.57 177.91 2kw6 h ARG 103 N 0.07 0.33 -0.35 1.57 3.08 -1.42 0.13 114.38 117.80 2kw6 h ARG 103 Ca 0.05 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 2kw6 h ARG 103 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2kw6 h ARG 103 CO -0.00 0.32 -0.26 0.93 -1.07 0.00 0.00 179.97 179.89 2kw6 h GLU 104 N 0.33 0.72 -0.22 0.04 5.08 -1.25 -1.28 114.58 118.00 2kw6 h GLU 104 Ca 0.08 -0.30 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 2kw6 h GLU 104 Cb 0.16 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2kw6 h GLU 104 CO -0.00 0.90 -0.41 0.00 -1.00 0.00 0.00 179.01 178.50 2kw6 h LEU 106 N 0.42 0.78 -1.38 0.00 3.38 -0.66 -1.27 115.31 116.59 2kw6 h LEU 106 Ca 0.04 -0.75 0.05 0.00 0.09 0.00 0.00 57.88 57.31 2kw6 h LEU 106 Cb 0.89 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 2kw6 h LEU 106 CO 0.08 1.43 0.46 0.00 0.09 0.00 0.00 178.44 180.49 2kw6 h ALA 107 N 0.37 1.66 0.15 1.53 0.00 -1.30 0.12 119.26 121.79 2kw6 h ALA 107 Ca -0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2kw6 h ALA 107 Cb 1.57 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2kw6 h ALA 107 CO 0.18 0.25 -0.07 1.49 0.00 0.00 0.00 179.25 181.09 2kw6 h GLU 108 N 0.78 -0.19 0.00 0.00 4.81 -1.47 -3.27 114.58 115.25 2kw6 h GLU 108 Ca 0.29 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 2kw6 h GLU 108 Cb 0.16 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 2kw6 h GLU 108 CO -0.09 0.25 -0.05 1.15 -0.73 0.00 0.00 179.01 179.54 2kw6 h THR 109 N -0.76 0.20 -0.16 0.32 2.02 -0.99 -1.23 112.91 112.31 2kw6 h THR 109 Ca -0.02 -0.43 -0.19 0.00 0.77 0.00 0.00 66.41 66.53 2kw6 h THR 109 Cb 0.53 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2kw6 h THR 109 CO 0.03 0.05 -0.68 -0.08 0.37 0.00 0.00 175.52 175.21 2kw6 h GLU 110 N 0.00 0.66 0.00 6.66 4.81 -0.85 0.31 114.58 126.17 2kw6 h GLU 110 Ca -0.00 -0.49 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 2kw6 h GLU 110 Cb 0.35 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2kw6 h GLU 110 CO 0.01 1.11 -0.24 0.00 -0.73 0.00 0.00 179.01 179.16 2kw6 h ARG 111 N 0.47 0.00 0.00 1.92 2.47 -1.47 -2.99 114.38 114.78 2kw6 h ARG 111 Ca -0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2kw6 h ARG 111 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 2kw6 h ARG 111 CO 0.13 0.24 -0.27 -0.97 0.56 0.00 0.00 179.97 179.66 2kw6 h ASN 112 N 0.00 0.00 -3.84 7.04 -1.24 -0.95 -3.48 115.58 113.11 2kw6 h ASN 112 Ca -0.00 -0.05 -0.43 0.00 0.71 0.00 0.00 56.30 56.52 2kw6 h ASN 112 Cb 1.03 0.00 0.17 0.00 0.73 0.00 0.00 38.32 40.25 2kw6 h ASN 112 CO 0.03 0.03 0.28 0.00 -1.29 0.00 0.00 177.43 176.47 2kw6 s ALA 113 N -3.17 1.45 -0.27 1.57 0.00 0.11 -5.01 121.76 116.43 2kw6 s ALA 113 Ca 0.07 -0.97 0.11 0.00 0.00 0.00 0.00 51.96 51.17 2kw6 s ALA 113 Cb 0.10 -2.87 0.46 0.00 0.00 0.00 0.00 23.12 20.82 2kw6 s ALA 113 CO 0.67 -2.91 1.18 -2.13 0.00 0.00 0.00 175.76 172.57 2kw6 n ARG 114 N -4.20 2.97 0.00 0.00 0.63 -1.26 -5.02 116.66 109.79 2kw6 n ARG 114 Ca 0.13 -3.91 0.05 0.00 -0.92 0.00 0.00 57.85 53.20 2kw6 n ARG 114 Cb 0.59 -2.03 0.04 0.00 0.45 0.00 0.00 32.46 31.52 2kw6 n ARG 114 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57