#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 -0.88 3.34 -5.12 0.00 -1.26 -5.07 105.19 96.21 2kw6 n GLY 52 Ca 0.00 0.47 -0.38 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 3.32 -3.18 1.61 -0.00 -1.26 -4.69 115.22 111.03 2kw6 n HIS 53 Ca 0.00 -2.23 0.01 0.00 -0.00 0.00 0.00 57.72 55.50 2kw6 n HIS 53 Cb 0.00 -2.44 -0.01 0.00 -0.00 0.00 0.00 29.99 27.54 2kw6 n HIS 53 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kw6 s HIS 54 N 6.35 -1.68 0.45 4.41 5.65 -1.26 -5.16 115.29 124.05 2kw6 s HIS 54 Ca 0.58 0.36 -0.23 0.00 0.25 0.00 0.00 55.06 56.02 2kw6 s HIS 54 Cb 0.06 0.31 -0.08 0.00 -1.18 0.00 0.00 32.58 31.69 2kw6 s HIS 54 CO 0.08 -1.11 1.16 -3.38 -0.65 0.00 0.00 174.74 170.84 2kw6 s HIS 55 N 2.00 2.91 0.41 3.88 -0.00 -1.26 -5.03 115.29 118.21 2kw6 s HIS 55 Ca 0.15 1.54 -0.25 0.00 -0.00 0.00 0.00 55.06 56.50 2kw6 s HIS 55 Cb -0.04 -3.38 -0.08 0.00 -0.00 0.00 0.00 32.58 29.08 2kw6 s HIS 55 CO -0.10 -1.46 1.22 -1.01 -0.00 0.00 0.00 174.74 173.39 2kw6 s HIS 56 N -1.53 2.93 0.39 0.38 3.76 -1.26 -5.01 115.29 114.95 2kw6 s HIS 56 Ca 0.62 1.50 -0.26 0.00 -0.15 0.00 0.00 55.06 56.77 2kw6 s HIS 56 Cb -0.29 -3.51 -0.09 0.00 1.11 0.00 0.00 32.58 29.81 2kw6 s HIS 56 CO 0.35 -1.67 1.18 -1.01 -0.85 0.00 0.00 174.74 172.74 2kw6 s HIS 57 N -1.36 3.07 -0.74 1.40 0.09 -1.26 -4.92 115.29 111.57 2kw6 s HIS 57 Ca 0.58 1.55 -0.26 0.00 -0.00 0.00 0.00 55.06 56.93 2kw6 s HIS 57 Cb -0.33 -3.42 -0.05 0.00 -0.00 0.00 0.00 32.58 28.78 2kw6 s HIS 57 CO 0.42 -1.35 2.02 -1.58 -0.00 0.00 0.00 174.74 174.25 2kw6 s HIS 58 N -1.38 1.59 0.90 1.40 2.46 -1.26 -4.97 115.29 114.03 2kw6 s HIS 58 Ca 0.56 0.96 -0.12 0.00 0.47 0.00 0.00 55.06 56.92 2kw6 s HIS 58 Cb -0.31 -3.93 0.18 0.00 -0.13 0.00 0.00 32.58 28.38 2kw6 s HIS 58 CO 0.40 -2.00 1.24 -1.54 -2.47 0.00 0.00 174.74 170.36 2kw6 s SER 59 N 8.86 3.46 -1.14 9.88 1.04 -1.26 -4.96 113.70 129.57 2kw6 s SER 59 Ca 0.75 0.13 -0.23 0.00 0.48 0.00 0.00 55.95 57.08 2kw6 s SER 59 Cb -0.11 -0.27 -0.07 0.00 0.10 0.00 0.00 66.02 65.68 2kw6 s SER 59 CO 0.11 -2.50 1.92 -1.38 0.98 0.00 0.00 173.24 172.37 2kw6 s HIS 60 N -3.70 1.99 -0.19 5.02 0.00 -1.26 -4.72 115.29 112.42 2kw6 s HIS 60 Ca 0.72 0.35 -0.14 0.00 -3.00 0.00 0.00 55.06 52.99 2kw6 s HIS 60 Cb -0.04 -4.07 0.05 0.00 -4.00 0.00 0.00 32.58 24.53 2kw6 s HIS 60 CO 0.51 -1.35 0.48 0.45 -1.00 0.00 0.00 174.74 173.82 2kw6 s SER 61 N 6.62 -0.56 0.26 7.38 0.15 -1.26 -5.03 113.70 121.27 2kw6 s SER 61 Ca 0.67 1.00 -0.01 0.00 0.70 0.00 0.00 55.95 58.31 2kw6 s SER 61 Cb -0.02 0.95 0.49 0.00 -1.71 0.00 0.00 66.02 65.73 2kw6 s SER 61 CO 0.10 -0.18 1.81 0.11 1.20 0.00 0.00 173.24 176.27 2kw6 h LYS 62 N 6.20 0.79 -0.11 5.44 1.79 -1.97 -2.75 116.57 125.96 2kw6 h LYS 62 Ca -0.31 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.01 2kw6 h LYS 62 Cb 1.18 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 2kw6 h LYS 62 CO 0.23 0.52 -0.33 1.88 -1.08 0.00 0.00 179.45 180.68 2kw6 h TYR 63 N 0.82 0.55 -0.71 -1.35 0.05 -1.95 0.15 116.97 114.52 2kw6 h TYR 63 Ca 0.45 -0.22 -0.01 0.00 0.05 0.00 0.00 58.73 59.00 2kw6 h TYR 63 Cb 0.49 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 2kw6 h TYR 63 CO -0.05 0.94 0.41 0.00 -1.05 0.00 0.00 178.16 178.42 2kw6 h ALA 64 N 0.50 1.38 0.02 3.88 0.00 -1.87 -0.94 119.26 122.23 2kw6 h ALA 64 Ca -0.01 -0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 2kw6 h ALA 64 Cb 0.95 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.47 2kw6 h ALA 64 CO 0.07 0.52 -1.08 1.49 0.00 0.00 0.00 179.25 180.25 2kw6 h GLU 65 N 0.99 0.69 -0.70 0.00 4.81 -1.42 -2.62 114.58 116.33 2kw6 h GLU 65 Ca 0.26 -0.77 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 2kw6 h GLU 65 Cb -0.01 0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 2kw6 h GLU 65 CO -0.05 1.34 0.28 1.25 -0.73 0.00 0.00 179.01 181.11 2kw6 h LEU 66 N 0.37 0.96 -0.36 1.64 5.85 -0.43 -0.02 115.31 123.32 2kw6 h LEU 66 Ca -0.14 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 2kw6 h LEU 66 Cb 1.73 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 2kw6 h LEU 66 CO 0.21 0.87 0.04 0.25 -0.34 0.00 0.00 178.44 179.47 2kw6 h LEU 67 N 1.00 0.58 -1.60 2.25 5.85 -1.28 -2.54 115.31 119.57 2kw6 h LEU 67 Ca 0.23 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2kw6 h LEU 67 Cb 0.21 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2kw6 h LEU 67 CO -0.02 0.71 -0.02 0.00 -0.34 0.00 0.00 178.44 178.78 2kw6 h ALA 68 N 0.89 1.68 0.23 1.25 0.00 -0.97 -1.18 119.26 121.16 2kw6 h ALA 68 Ca 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kw6 h ALA 68 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kw6 h ALA 68 CO 0.01 0.24 -0.11 0.82 0.00 0.00 0.00 179.25 180.21 2kw6 h ILE 69 N 0.23 0.74 -0.17 0.00 2.04 -0.98 -3.24 117.51 116.13 2kw6 h ILE 69 Ca 0.05 -0.91 -0.12 0.00 1.00 0.00 0.00 64.86 64.89 2kw6 h ILE 69 Cb 0.19 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2kw6 h ILE 69 CO 0.01 0.17 -0.39 0.40 0.00 0.00 0.00 178.15 178.33 2kw6 h ILE 70 N -0.84 1.30 0.00 -0.67 2.04 -1.12 -1.50 117.51 116.71 2kw6 h ILE 70 Ca -0.03 -1.52 -0.04 0.00 1.00 0.00 0.00 64.86 64.27 2kw6 h ILE 70 Cb 0.51 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 2kw6 h ILE 70 CO 0.05 0.47 -0.19 1.05 0.00 0.00 0.00 178.15 179.52 2kw6 h GLU 71 N 0.33 0.00 0.02 2.37 4.11 -1.38 -3.00 114.58 117.02 2kw6 h GLU 71 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 2kw6 h GLU 71 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2kw6 h GLU 71 CO 0.07 0.19 -0.01 1.49 0.07 0.00 0.00 179.01 180.82 2kw6 h GLU 72 N 0.00 -0.03 -0.64 1.06 4.81 -1.33 -3.33 114.58 115.12 2kw6 h GLU 72 Ca -0.00 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.41 2kw6 h GLU 72 Cb 0.46 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 2kw6 h GLU 72 CO 0.03 0.68 0.51 -0.07 -0.73 0.00 0.00 179.01 179.43 2kw6 h LEU 73 N -0.82 0.00 -0.84 1.64 3.38 -1.21 -0.69 115.31 116.77 2kw6 h LEU 73 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2kw6 h LEU 73 Cb 0.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2kw6 h LEU 73 CO 0.01 0.00 -0.57 1.23 0.09 0.00 0.00 178.44 179.20 2kw6 h GLY 74 N 0.00 0.04 0.91 0.83 0.00 -1.64 -3.13 103.07 100.08 2kw6 h GLY 74 Ca 0.30 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.50 2kw6 h GLY 74 CO -0.00 0.04 -0.19 1.70 0.00 0.00 0.00 176.54 178.08 2kw6 h LYS 75 N 0.03 0.62 0.00 4.80 3.64 -1.26 -3.28 116.57 121.11 2kw6 h LYS 75 Ca -0.01 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2kw6 h LYS 75 Cb 1.01 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2kw6 h LYS 75 CO 0.08 0.88 0.00 0.39 -2.27 0.00 0.00 179.45 178.53 2kw6 n GLU 76 N -4.38 0.87 -0.07 1.90 -0.58 -1.17 -3.37 120.64 113.84 2kw6 n GLU 76 Ca -0.04 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.58 2kw6 n GLU 76 Cb 0.40 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.71 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 1.32 0.35 -3.67 2.04 -1.62 -2.52 117.51 113.41 2kw6 h ILE 77 Ca 0.00 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 2kw6 h ILE 77 Cb 0.01 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 2kw6 h ILE 77 CO 0.00 0.37 -0.39 0.03 0.00 0.00 0.00 178.15 178.16 2kw6 h ARG 78 N 0.10 -0.75 -0.40 2.37 2.47 -1.79 -0.53 114.38 115.85 2kw6 h ARG 78 Ca 0.04 0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 58.74 2kw6 h ARG 78 Cb 0.63 0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 29.10 2kw6 h ARG 78 CO 0.03 -0.50 -0.04 -1.00 0.56 0.00 0.00 179.97 179.02 2kw6 h PRO 79 N -0.77 0.66 -0.17 0.04 0.13 -1.78 -1.41 132.00 128.68 2kw6 h PRO 79 Ca -0.02 -0.18 0.02 0.00 -0.87 0.00 0.00 66.00 64.95 2kw6 h PRO 79 Cb 0.71 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 2kw6 h PRO 79 CO -0.09 0.71 0.04 1.15 -0.23 0.00 0.00 178.00 179.57 2kw6 h THR 80 N 0.61 0.93 -0.05 1.56 2.02 -1.30 -0.35 112.91 116.33 2kw6 h THR 80 Ca 0.12 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 2kw6 h THR 80 Cb 0.45 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2kw6 h THR 80 CO 0.02 0.02 -0.10 0.22 0.37 0.00 0.00 175.52 176.05 2kw6 h TYR 81 N 0.11 0.08 -0.11 3.16 3.20 -1.01 -1.96 116.97 120.44 2kw6 h TYR 81 Ca 0.08 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2kw6 h TYR 81 Cb 0.07 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.31 2kw6 h TYR 81 CO -0.13 0.18 0.00 0.00 -1.64 0.00 0.00 178.16 176.57 2kw6 n ALA 82 N -2.51 2.53 -2.60 1.82 0.00 -0.54 -4.88 120.51 114.32 2kw6 n ALA 82 Ca -0.02 -0.22 -0.07 0.00 0.00 0.00 0.00 53.44 53.13 2kw6 n ALA 82 Cb 0.20 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.67 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 0.56 0.39 3.48 0.00 0.00 -0.74 -5.02 105.19 103.88 2kw6 n GLY 83 Ca 0.04 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.98 5.51 0.35 1.61 0.01 -0.23 -5.00 113.70 112.97 2kw6 s SER 84 Ca 0.12 -0.25 0.19 0.00 1.31 0.00 0.00 55.95 57.32 2kw6 s SER 84 Cb -0.05 -2.00 0.45 0.00 0.21 0.00 0.00 66.02 64.63 2kw6 s SER 84 CO 0.15 -0.09 1.62 0.50 0.41 0.00 0.00 173.24 175.83 2kw6 h LYS 85 N 8.31 0.00 -0.21 12.44 3.11 -1.92 -2.99 116.57 135.31 2kw6 h LYS 85 Ca -0.36 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.31 2kw6 h LYS 85 Cb 1.17 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.40 2kw6 h LYS 85 CO 0.58 0.38 -0.57 0.66 -2.81 0.00 0.00 179.45 177.70 2kw6 h SER 86 N 0.00 0.74 -0.20 4.20 4.64 -1.97 -3.02 113.55 117.94 2kw6 h SER 86 Ca -0.00 -0.40 -0.06 0.00 -0.47 0.00 0.00 61.79 60.85 2kw6 h SER 86 Cb 1.08 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2kw6 h SER 86 CO 0.05 1.15 -0.12 0.00 -0.87 0.00 0.00 176.83 177.04 2kw6 h ALA 87 N 0.86 0.29 -0.10 5.18 0.00 -1.88 -2.61 119.26 121.00 2kw6 h ALA 87 Ca 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2kw6 h ALA 87 Cb 1.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2kw6 h ALA 87 CO 0.11 0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.47 2kw6 h MET 88 N 0.13 0.14 -0.26 0.00 -0.00 -1.59 0.20 114.93 113.55 2kw6 h MET 88 Ca 0.04 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.69 2kw6 h MET 88 Cb 0.63 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.19 2kw6 h MET 88 CO 0.03 0.19 0.03 0.93 -0.00 0.00 0.00 176.91 178.10 2kw6 h GLU 89 N 0.14 0.43 -0.48 -0.10 5.08 -1.44 -1.62 114.58 116.59 2kw6 h GLU 89 Ca 0.03 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2kw6 h GLU 89 Cb 0.17 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2kw6 h GLU 89 CO 0.01 0.57 -0.10 0.00 -1.00 0.00 0.00 179.01 178.48 2kw6 h ARG 90 N 0.24 0.89 0.35 2.33 3.08 -1.03 -0.81 114.38 119.42 2kw6 h ARG 90 Ca 0.08 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 2kw6 h ARG 90 Cb 0.35 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2kw6 h ARG 90 CO 0.01 0.94 -0.17 1.25 -1.07 0.00 0.00 179.97 180.93 2kw6 h LEU 91 N 0.80 -0.40 -0.66 3.04 5.85 -0.97 -2.20 115.31 120.77 2kw6 h LEU 91 Ca 0.13 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 2kw6 h LEU 91 Cb 0.62 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 2kw6 h LEU 91 CO 0.04 -0.26 0.24 0.50 -0.34 0.00 0.00 178.44 178.62 2kw6 h LYS 92 N -0.50 1.01 -0.13 1.25 3.64 -1.26 -1.95 116.57 118.63 2kw6 h LYS 92 Ca -0.05 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.15 2kw6 h LYS 92 Cb 0.38 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2kw6 h LYS 92 CO 0.08 0.86 0.01 -0.09 -2.27 0.00 0.00 179.45 178.04 2kw6 h ARG 93 N 0.95 0.06 -0.18 1.90 9.65 -1.04 -1.73 114.38 123.98 2kw6 h ARG 93 Ca 0.22 -0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.93 2kw6 h ARG 93 Cb 0.25 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 2kw6 h ARG 93 CO -0.01 0.04 -0.56 0.78 2.80 0.00 0.00 179.97 183.02 2kw6 h GLY 94 N 0.06 0.60 0.97 2.80 0.00 -1.38 -2.01 103.07 104.10 2kw6 h GLY 94 Ca 0.06 -0.70 0.01 0.00 0.00 0.00 0.00 47.33 46.70 2kw6 h GLY 94 CO -0.09 0.63 0.21 -2.22 0.00 0.00 0.00 176.54 175.07 2kw6 h ILE 95 N 0.42 1.06 -0.32 2.60 2.04 -0.93 0.24 117.51 122.62 2kw6 h ILE 95 Ca 0.01 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 2kw6 h ILE 95 Cb 1.10 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2kw6 h ILE 95 CO 0.10 0.08 -0.13 0.40 0.00 0.00 0.00 178.15 178.60 2kw6 h ILE 96 N 0.43 1.29 -0.79 -0.67 5.03 -1.37 -2.53 117.51 118.90 2kw6 h ILE 96 Ca 0.13 -1.22 0.01 0.00 -0.12 0.00 0.00 64.86 63.65 2kw6 h ILE 96 Cb -0.03 1.41 -0.04 0.00 -3.03 0.00 0.00 36.82 35.13 2kw6 h ILE 96 CO -0.04 0.40 0.53 -0.74 -0.68 0.00 0.00 178.15 177.61 2kw6 h HIS 97 N 0.42 1.00 -0.29 1.37 2.76 -1.12 -1.61 115.15 117.67 2kw6 h HIS 97 Ca 0.07 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.20 2kw6 h HIS 97 Cb 0.65 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 2kw6 h HIS 97 CO 0.06 0.62 -0.07 0.00 -1.30 0.00 0.00 177.93 177.24 2kw6 h ALA 98 N 1.51 0.40 -0.37 5.26 0.00 -0.49 -2.86 119.26 122.70 2kw6 h ALA 98 Ca 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kw6 h ALA 98 Cb -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2kw6 h ALA 98 CO -0.06 0.22 0.20 -0.09 0.00 0.00 0.00 179.25 179.52 2kw6 h ARG 99 N 0.33 0.51 -0.78 0.00 2.43 -1.06 -1.37 114.38 114.43 2kw6 h ARG 99 Ca 0.07 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2kw6 h ARG 99 Cb 0.55 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 2kw6 h ARG 99 CO 0.03 0.37 0.39 0.78 -1.51 0.00 0.00 179.97 180.03 2kw6 h GLY 100 N 0.59 1.18 1.63 2.80 0.00 -1.08 -1.01 103.07 107.17 2kw6 h GLY 100 Ca 0.13 -0.57 -0.20 0.00 0.00 0.00 0.00 47.33 46.70 2kw6 h GLY 100 CO -0.02 0.54 -0.84 1.41 0.00 0.00 0.00 176.54 177.62 2kw6 h LEU 101 N 1.10 0.44 -0.68 3.11 3.38 -1.16 -2.32 115.31 119.17 2kw6 h LEU 101 Ca 0.27 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2kw6 h LEU 101 Cb 0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2kw6 h LEU 101 CO -0.04 1.10 0.12 0.58 0.09 0.00 0.00 178.44 180.29 2kw6 h VAL 102 N 0.21 1.26 -0.01 1.22 2.07 -1.01 -0.88 116.25 119.11 2kw6 h VAL 102 Ca -0.05 -1.03 -0.15 0.00 0.82 0.00 0.00 66.70 66.29 2kw6 h VAL 102 Cb 1.45 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 2kw6 h VAL 102 CO 0.14 0.39 -0.69 0.03 0.02 0.00 0.00 177.57 177.46 2kw6 h ARG 103 N 1.05 0.07 -0.64 1.57 2.47 -1.18 0.20 114.38 117.91 2kw6 h ARG 103 Ca 0.21 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.79 2kw6 h ARG 103 Cb 0.43 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.74 2kw6 h ARG 103 CO 0.01 0.73 0.09 0.93 0.56 0.00 0.00 179.97 182.29 2kw6 h GLU 104 N 0.04 1.06 -0.00 0.04 4.39 -1.27 -1.89 114.58 116.95 2kw6 h GLU 104 Ca -0.01 -0.28 -0.19 0.00 0.34 0.00 0.00 59.36 59.22 2kw6 h GLU 104 Cb 1.22 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 2kw6 h GLU 104 CO 0.09 0.98 -0.85 0.00 -1.16 0.00 0.00 179.01 178.08 2kw6 h LEU 106 N 0.08 0.19 -1.94 0.00 3.38 -0.57 -0.32 115.31 116.13 2kw6 h LEU 106 Ca -0.03 -0.79 0.13 0.00 0.09 0.00 0.00 57.88 57.28 2kw6 h LEU 106 Cb 1.46 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 2kw6 h LEU 106 CO 0.12 0.96 0.35 0.00 0.09 0.00 0.00 178.44 179.96 2kw6 h ALA 107 N 0.24 2.38 0.01 1.53 0.00 -1.45 -0.27 119.26 121.69 2kw6 h ALA 107 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kw6 h ALA 107 Cb 0.99 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2kw6 h ALA 107 CO 0.04 -0.52 -0.00 1.49 0.00 0.00 0.00 179.25 180.26 2kw6 h GLU 108 N 0.06 -0.01 0.00 0.00 4.57 -1.55 -3.38 114.58 114.27 2kw6 h GLU 108 Ca 0.23 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2kw6 h GLU 108 Cb 0.85 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.44 2kw6 h GLU 108 CO -0.02 -0.01 -0.02 1.15 -1.18 0.00 0.00 179.01 178.93 2kw6 h THR 109 N -0.99 0.05 0.12 0.32 2.02 -0.83 -2.07 112.91 111.53 2kw6 h THR 109 Ca -0.00 -0.73 -0.28 0.00 0.77 0.00 0.00 66.41 66.18 2kw6 h THR 109 Cb 0.01 1.69 0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2kw6 h THR 109 CO 0.00 0.02 -1.20 -0.08 0.37 0.00 0.00 175.52 174.63 2kw6 h GLU 110 N 0.00 0.40 -0.13 6.66 4.81 -1.27 0.05 114.58 125.10 2kw6 h GLU 110 Ca -0.00 -0.59 -0.17 0.00 -0.13 0.00 0.00 59.36 58.47 2kw6 h GLU 110 Cb 0.69 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 2kw6 h GLU 110 CO 0.00 1.25 -0.63 0.00 -0.73 0.00 0.00 179.01 178.90 2kw6 h ARG 111 N 0.16 0.47 0.00 1.92 2.47 -1.70 -3.00 114.38 114.70 2kw6 h ARG 111 Ca -0.15 -0.34 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 2kw6 h ARG 111 Cb 1.90 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 30.27 2kw6 h ARG 111 CO 0.21 0.96 0.00 -1.71 0.56 0.00 0.00 179.97 179.99 2kw6 n ASN 112 N -3.90 0.00 0.00 7.04 2.85 -0.79 -4.46 115.26 115.99 2kw6 n ASN 112 Ca -0.04 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 2kw6 n ASN 112 Cb 0.65 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.26 2kw6 n ASN 112 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kw6 n ALA 113 N -1.41 0.07 0.00 5.20 0.00 -0.01 -5.03 120.51 119.33 2kw6 n ALA 113 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2kw6 n ALA 113 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2kw6 n ALA 113 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kw6 n ARG 114 N 0.00 0.00 0.00 0.00 0.63 -1.14 -5.07 116.66 111.08 2kw6 n ARG 114 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2kw6 n ARG 114 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2kw6 n ARG 114 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57