#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 -1.23 3.50 3.03 0.00 -1.26 -4.97 105.19 104.26 2kw6 n GLY 52 Ca 0.00 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 2kw6 n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kw6 s HIS 53 N 0.00 2.63 -1.28 1.61 4.02 -1.26 -4.98 115.29 116.02 2kw6 s HIS 53 Ca 0.00 -0.24 -0.16 0.00 1.02 0.00 0.00 55.06 55.68 2kw6 s HIS 53 Cb 0.00 -4.31 0.10 0.00 -1.02 0.00 0.00 32.58 27.35 2kw6 s HIS 53 CO 0.00 -1.64 1.69 0.72 1.02 0.00 0.00 174.74 176.52 2kw6 n HIS 54 N 8.01 4.65 -1.94 1.40 -0.00 -1.26 -4.95 115.22 121.13 2kw6 n HIS 54 Ca -0.00 -2.99 -0.39 0.00 -0.00 0.00 0.00 57.72 54.34 2kw6 n HIS 54 Cb 0.47 -2.50 -0.03 0.00 -0.00 0.00 0.00 29.99 27.93 2kw6 n HIS 54 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kw6 s HIS 55 N 3.35 1.57 -0.41 4.41 -0.00 -1.26 -4.93 115.29 118.02 2kw6 s HIS 55 Ca 0.50 0.90 -0.29 0.00 -0.00 0.00 0.00 55.06 56.17 2kw6 s HIS 55 Cb 0.03 -4.00 0.01 0.00 -0.00 0.00 0.00 32.58 28.61 2kw6 s HIS 55 CO 0.05 -2.46 1.40 -1.01 -0.00 0.00 0.00 174.74 172.71 2kw6 s HIS 56 N 9.29 2.42 -1.08 0.38 3.76 -1.26 -4.91 115.29 123.90 2kw6 s HIS 56 Ca 0.75 0.68 -0.05 0.00 -0.15 0.00 0.00 55.06 56.28 2kw6 s HIS 56 Cb -0.15 -4.31 0.09 0.00 1.11 0.00 0.00 32.58 29.32 2kw6 s HIS 56 CO 0.24 -1.95 2.54 0.72 -0.85 0.00 0.00 174.74 175.44 2kw6 n HIS 57 N 8.75 2.26 -1.38 1.40 -0.00 -1.26 -4.28 115.22 120.72 2kw6 n HIS 57 Ca 0.16 -2.57 0.08 0.00 -0.00 0.00 0.00 57.72 55.39 2kw6 n HIS 57 Cb 0.48 -1.74 0.17 0.00 -0.00 0.00 0.00 29.99 28.90 2kw6 n HIS 57 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kw6 n HIS 58 N 1.59 0.00 -4.01 4.41 8.25 -1.26 -5.00 115.22 119.20 2kw6 n HIS 58 Ca 0.59 -1.20 -0.30 0.00 -0.26 0.00 0.00 57.72 56.55 2kw6 n HIS 58 Cb 0.34 -0.20 -0.16 0.00 1.12 0.00 0.00 29.99 31.09 2kw6 n HIS 58 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2kw6 s SER 59 N -2.99 2.90 -0.17 0.41 0.01 -1.26 -5.01 113.70 107.60 2kw6 s SER 59 Ca 0.34 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 57.02 2kw6 s SER 59 Cb 0.32 -1.20 0.30 0.00 0.21 0.00 0.00 66.02 65.65 2kw6 s SER 59 CO -0.02 -0.08 1.29 1.57 0.41 0.00 0.00 173.24 176.41 2kw6 n HIS 60 N 4.74 1.18 -1.69 2.43 -0.00 -1.26 -4.67 115.22 115.96 2kw6 n HIS 60 Ca -0.16 -0.87 -0.44 0.00 0.46 0.00 0.00 57.72 56.71 2kw6 n HIS 60 Cb 0.49 -0.47 -0.04 0.00 -0.12 0.00 0.00 29.99 29.85 2kw6 n HIS 60 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2kw6 n SER 61 N -0.07 3.68 0.07 0.26 7.64 -1.26 -4.86 113.62 119.07 2kw6 n SER 61 Ca 0.22 1.02 0.17 0.00 1.01 0.00 0.00 58.87 61.28 2kw6 n SER 61 Cb 0.90 -1.49 0.68 0.00 -1.01 0.00 0.00 64.21 63.30 2kw6 n SER 61 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2kw6 h LYS 62 N 7.77 0.00 -0.01 1.43 1.79 -1.98 0.93 116.57 126.50 2kw6 h LYS 62 Ca -0.46 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 57.96 2kw6 h LYS 62 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2kw6 h LYS 62 CO 0.93 0.00 -0.17 1.88 -1.08 0.00 0.00 179.45 181.01 2kw6 h TYR 63 N 0.00 0.20 0.00 -1.35 0.05 -1.98 -0.41 116.97 113.49 2kw6 h TYR 63 Ca 0.19 -0.10 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 2kw6 h TYR 63 Cb 0.75 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 2kw6 h TYR 63 CO 0.00 0.85 -0.21 0.00 -1.05 0.00 0.00 178.16 177.76 2kw6 h ALA 64 N 0.31 1.28 0.10 3.88 0.00 -1.71 -2.38 119.26 120.74 2kw6 h ALA 64 Ca -0.02 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 54.41 2kw6 h ALA 64 Cb 0.89 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.67 2kw6 h ALA 64 CO 0.04 0.26 -1.21 1.49 0.00 0.00 0.00 179.25 179.83 2kw6 h GLU 65 N 0.00 0.62 -0.25 0.00 4.57 -0.86 -3.05 114.58 115.60 2kw6 h GLU 65 Ca -0.00 -0.80 -0.01 0.00 -1.18 0.00 0.00 59.36 57.37 2kw6 h GLU 65 Cb 0.49 0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 2kw6 h GLU 65 CO 0.03 1.36 0.14 1.25 -1.18 0.00 0.00 179.01 180.60 2kw6 h LEU 66 N 0.29 0.32 -0.26 1.64 5.85 -0.79 -0.59 115.31 121.77 2kw6 h LEU 66 Ca -0.18 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.49 2kw6 h LEU 66 Cb 1.88 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.79 2kw6 h LEU 66 CO 0.23 0.32 0.02 0.25 -0.34 0.00 0.00 178.44 178.93 2kw6 h LEU 67 N 0.29 -0.05 -1.51 2.25 5.85 -1.55 -2.64 115.31 117.96 2kw6 h LEU 67 Ca 0.09 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 2kw6 h LEU 67 Cb 0.07 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2kw6 h LEU 67 CO -0.01 0.01 -0.24 0.00 -0.34 0.00 0.00 178.44 177.86 2kw6 h ALA 68 N 1.21 1.59 0.15 1.25 0.00 -1.34 -2.48 119.26 119.65 2kw6 h ALA 68 Ca 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2kw6 h ALA 68 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kw6 h ALA 68 CO -0.19 0.31 -0.07 0.82 0.00 0.00 0.00 179.25 180.12 2kw6 h ILE 69 N 0.01 0.97 -0.68 0.00 2.04 -0.93 -3.07 117.51 115.85 2kw6 h ILE 69 Ca 0.00 -1.01 -0.08 0.00 1.00 0.00 0.00 64.86 64.77 2kw6 h ILE 69 Cb 0.43 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 2kw6 h ILE 69 CO 0.03 0.22 0.12 0.40 0.00 0.00 0.00 178.15 178.92 2kw6 h ILE 70 N -0.73 1.26 0.00 -0.67 2.04 -1.27 -1.24 117.51 116.91 2kw6 h ILE 70 Ca -0.02 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 2kw6 h ILE 70 Cb 0.52 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2kw6 h ILE 70 CO 0.03 0.39 -0.11 1.05 0.00 0.00 0.00 178.15 179.52 2kw6 h GLU 71 N 1.05 0.00 0.06 2.37 4.11 -1.60 -2.82 114.58 117.75 2kw6 h GLU 71 Ca 0.21 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.37 2kw6 h GLU 71 Cb 0.43 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.70 2kw6 h GLU 71 CO 0.01 0.11 -1.11 1.49 0.07 0.00 0.00 179.01 179.58 2kw6 h GLU 72 N 0.00 0.50 -0.04 1.06 4.57 -1.17 -2.94 114.58 116.57 2kw6 h GLU 72 Ca -0.00 -0.62 0.01 0.00 -1.18 0.00 0.00 59.36 57.57 2kw6 h GLU 72 Cb 0.59 0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2kw6 h GLU 72 CO 0.01 1.25 0.04 -0.07 -1.18 0.00 0.00 179.01 179.06 2kw6 h LEU 73 N 0.25 0.00 -1.08 1.64 3.38 -1.05 -1.87 115.31 116.57 2kw6 h LEU 73 Ca -0.13 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2kw6 h LEU 73 Cb 1.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 2kw6 h LEU 73 CO 0.20 0.00 -0.20 1.23 0.09 0.00 0.00 178.44 179.76 2kw6 h GLY 74 N 0.00 0.44 1.85 0.83 0.00 -1.31 -2.64 103.07 102.24 2kw6 h GLY 74 Ca 0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 2kw6 h GLY 74 CO -0.00 0.30 -0.28 0.50 0.00 0.00 0.00 176.54 177.06 2kw6 h LYS 75 N 0.37 0.17 0.00 4.80 1.79 -1.37 -3.21 116.57 119.12 2kw6 h LYS 75 Ca 0.06 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kw6 h LYS 75 Cb 0.57 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2kw6 h LYS 75 CO 0.04 0.45 -0.16 0.39 -1.08 0.00 0.00 179.45 179.08 2kw6 n GLU 76 N -4.15 0.05 0.38 3.15 -0.58 -1.00 -4.30 120.64 114.18 2kw6 n GLU 76 Ca -0.01 0.03 -0.17 0.00 -0.42 0.00 0.00 57.16 56.59 2kw6 n GLU 76 Cb 0.37 -1.55 -0.09 0.00 -0.57 0.00 0.00 31.44 29.61 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 0.21 0.03 -3.67 2.04 -1.55 -2.17 117.51 112.40 2kw6 h ILE 77 Ca 0.00 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.72 2kw6 h ILE 77 Cb 0.54 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2kw6 h ILE 77 CO 0.00 0.02 -0.26 -0.09 0.00 0.00 0.00 178.15 177.81 2kw6 h ARG 78 N -1.09 -0.40 -0.27 2.37 1.12 -1.81 -0.92 114.38 113.38 2kw6 h ARG 78 Ca -0.10 0.03 -0.11 0.00 -1.11 0.00 0.00 59.98 58.69 2kw6 h ARG 78 Cb 0.76 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.80 2kw6 h ARG 78 CO 0.16 -0.27 -0.31 -1.00 -3.11 0.00 0.00 179.97 175.45 2kw6 h PRO 79 N -0.42 0.56 -0.43 0.20 0.13 -1.80 -0.55 132.00 129.69 2kw6 h PRO 79 Ca 0.05 -0.24 0.03 0.00 -0.87 0.00 0.00 66.00 64.98 2kw6 h PRO 79 Cb 0.49 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.56 2kw6 h PRO 79 CO -0.21 0.81 0.22 1.15 -0.23 0.00 0.00 178.00 179.73 2kw6 h THR 80 N 0.48 0.97 -0.47 1.56 2.02 -1.28 -0.31 112.91 115.89 2kw6 h THR 80 Ca 0.06 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2kw6 h THR 80 Cb 0.77 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2kw6 h THR 80 CO 0.06 0.08 0.23 0.22 0.37 0.00 0.00 175.52 176.48 2kw6 h TYR 81 N 0.44 0.64 -0.09 3.16 3.20 -0.97 -1.68 116.97 121.66 2kw6 h TYR 81 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2kw6 h TYR 81 Cb 0.09 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.15 2kw6 h TYR 81 CO -0.10 0.47 0.00 0.00 -1.64 0.00 0.00 178.16 176.89 2kw6 n ALA 82 N -2.46 2.56 -2.99 1.82 0.00 -0.23 -4.89 120.51 114.31 2kw6 n ALA 82 Ca 0.04 -0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 2kw6 n ALA 82 Cb 0.12 -1.00 0.05 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 0.45 0.04 3.45 0.00 0.00 -0.63 -5.02 105.19 103.48 2kw6 n GLY 83 Ca 0.03 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.47 5.68 0.44 1.61 0.01 -0.20 -4.99 113.70 112.79 2kw6 s SER 84 Ca 0.18 -0.56 0.21 0.00 1.31 0.00 0.00 55.95 57.09 2kw6 s SER 84 Cb -0.08 -2.03 1.03 0.00 0.21 0.00 0.00 66.02 65.15 2kw6 s SER 84 CO 0.42 -0.23 1.91 0.50 0.41 0.00 0.00 173.24 176.26 2kw6 h LYS 85 N 8.39 0.00 -0.32 12.44 3.64 -1.92 -2.92 116.57 135.88 2kw6 h LYS 85 Ca -0.31 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.00 2kw6 h LYS 85 Cb 1.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2kw6 h LYS 85 CO 0.63 0.25 -0.06 0.77 -2.27 0.00 0.00 179.45 178.76 2kw6 h SER 86 N 0.00 0.61 -0.28 4.20 0.02 -1.96 -2.90 113.55 113.24 2kw6 h SER 86 Ca -0.00 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 2kw6 h SER 86 Cb 0.57 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2kw6 h SER 86 CO 0.03 0.82 0.07 0.00 -1.14 0.00 0.00 176.83 176.61 2kw6 h ALA 87 N 0.81 0.37 0.00 3.77 0.00 -1.87 -2.42 119.26 119.91 2kw6 h ALA 87 Ca 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2kw6 h ALA 87 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2kw6 h ALA 87 CO 0.03 0.03 -0.23 0.00 0.00 0.00 0.00 179.25 179.08 2kw6 h MET 88 N 0.28 0.00 -0.18 0.00 -0.00 -1.59 0.76 114.93 114.20 2kw6 h MET 88 Ca 0.09 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.60 2kw6 h MET 88 Cb 0.29 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.89 2kw6 h MET 88 CO 0.00 0.23 -0.64 0.93 -0.00 0.00 0.00 176.91 177.43 2kw6 h GLU 89 N 0.00 0.75 -0.34 -0.10 5.08 -1.29 -0.63 114.58 118.06 2kw6 h GLU 89 Ca -0.00 -0.57 -0.11 0.00 -1.00 0.00 0.00 59.36 57.68 2kw6 h GLU 89 Cb 0.52 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2kw6 h GLU 89 CO 0.03 1.18 -0.26 0.00 -1.00 0.00 0.00 179.01 178.96 2kw6 h ARG 90 N 0.47 0.68 0.05 2.33 2.47 -1.13 -1.59 114.38 117.67 2kw6 h ARG 90 Ca -0.03 -0.28 -0.00 0.00 -1.26 0.00 0.00 59.98 58.41 2kw6 h ARG 90 Cb 1.26 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 2kw6 h ARG 90 CO 0.13 0.87 -0.02 1.25 0.56 0.00 0.00 179.97 182.76 2kw6 h LEU 91 N 0.59 -0.06 -0.48 3.04 5.85 -0.85 -2.22 115.31 121.18 2kw6 h LEU 91 Ca 0.08 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 2kw6 h LEU 91 Cb 0.75 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2kw6 h LEU 91 CO 0.06 0.17 -0.10 0.50 -0.34 0.00 0.00 178.44 178.73 2kw6 h LYS 92 N -0.28 0.92 0.05 1.25 3.64 -1.12 -1.22 116.57 119.81 2kw6 h LYS 92 Ca -0.01 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2kw6 h LYS 92 Cb 0.25 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2kw6 h LYS 92 CO 0.01 1.00 -0.06 -0.09 -2.27 0.00 0.00 179.45 178.04 2kw6 h ARG 93 N 0.77 -0.13 -0.27 1.90 9.65 -1.29 -1.43 114.38 123.58 2kw6 h ARG 93 Ca 0.12 0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 58.90 2kw6 h ARG 93 Cb 0.65 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 2kw6 h ARG 93 CO 0.04 -0.09 -0.32 0.78 2.80 0.00 0.00 179.97 183.18 2kw6 h GLY 94 N -0.14 0.62 0.95 2.80 0.00 -1.37 -1.83 103.07 104.11 2kw6 h GLY 94 Ca 0.01 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 2kw6 h GLY 94 CO -0.03 0.51 0.06 -2.22 0.00 0.00 0.00 176.54 174.87 2kw6 h ILE 95 N 0.49 1.07 -0.63 2.60 2.04 -0.99 0.22 117.51 122.31 2kw6 h ILE 95 Ca 0.06 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2kw6 h ILE 95 Cb 0.80 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2kw6 h ILE 95 CO 0.07 0.06 0.33 0.40 0.00 0.00 0.00 178.15 179.01 2kw6 h ILE 96 N 0.10 1.21 -0.38 -0.67 2.04 -1.22 -1.29 117.51 117.30 2kw6 h ILE 96 Ca 0.04 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.39 2kw6 h ILE 96 Cb 0.05 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 2kw6 h ILE 96 CO -0.01 0.23 0.19 0.45 0.00 0.00 0.00 178.15 179.01 2kw6 h HIS 97 N 0.86 0.34 -0.43 1.37 3.86 -1.15 -1.68 115.15 118.33 2kw6 h HIS 97 Ca 0.22 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.40 2kw6 h HIS 97 Cb 0.06 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 2kw6 h HIS 97 CO -0.01 0.18 0.05 0.00 0.86 0.00 0.00 177.93 179.02 2kw6 h ALA 98 N 1.20 1.30 -0.68 2.45 0.00 -0.72 -2.09 119.26 120.71 2kw6 h ALA 98 Ca 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2kw6 h ALA 98 Cb 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2kw6 h ALA 98 CO -0.11 0.48 0.22 -0.09 0.00 0.00 0.00 179.25 179.75 2kw6 h ARG 99 N 0.63 1.04 -0.30 0.00 1.12 -0.86 -2.48 114.38 113.53 2kw6 h ARG 99 Ca 0.14 -0.21 -0.02 0.00 -1.11 0.00 0.00 59.98 58.78 2kw6 h ARG 99 Cb 0.32 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.11 2kw6 h ARG 99 CO 0.01 0.88 0.11 0.78 -3.11 0.00 0.00 179.97 178.64 2kw6 h GLY 100 N 1.07 0.48 0.96 2.80 0.00 -0.66 -1.95 103.07 105.77 2kw6 h GLY 100 Ca 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 2kw6 h GLY 100 CO -0.01 0.26 0.20 1.41 0.00 0.00 0.00 176.54 178.40 2kw6 h LEU 101 N 0.32 0.56 -0.20 3.11 3.38 -1.29 -2.96 115.31 118.24 2kw6 h LEU 101 Ca 0.10 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 2kw6 h LEU 101 Cb 0.21 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2kw6 h LEU 101 CO -0.01 0.54 -0.89 0.58 0.09 0.00 0.00 178.44 178.75 2kw6 h VAL 102 N 0.55 1.63 -0.21 1.22 2.07 -1.42 -1.02 116.25 119.06 2kw6 h VAL 102 Ca 0.15 -3.06 -0.14 0.00 0.82 0.00 0.00 66.70 64.47 2kw6 h VAL 102 Cb 0.13 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2kw6 h VAL 102 CO -0.02 0.87 -0.40 -0.09 0.02 0.00 0.00 177.57 177.95 2kw6 h ARG 103 N 0.00 0.65 -0.03 1.57 2.43 -1.36 -0.86 114.38 116.78 2kw6 h ARG 103 Ca -0.01 -0.41 -0.14 0.00 -0.81 0.00 0.00 59.98 58.60 2kw6 h ARG 103 Cb 1.59 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.17 2kw6 h ARG 103 CO 0.12 1.03 -0.64 0.93 -1.51 0.00 0.00 179.97 179.89 2kw6 h GLU 104 N 0.34 0.12 0.00 0.20 4.39 -1.54 -1.67 114.58 116.42 2kw6 h GLU 104 Ca 0.01 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 2kw6 h GLU 104 Cb 1.00 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 2kw6 h GLU 104 CO 0.09 0.72 -0.33 0.00 -1.16 0.00 0.00 179.01 178.33 2kw6 h LEU 106 N 0.00 0.85 -1.73 0.00 3.38 -0.93 -1.14 115.31 115.74 2kw6 h LEU 106 Ca -0.00 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 57.33 2kw6 h LEU 106 Cb 0.59 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2kw6 h LEU 106 CO 0.04 1.43 0.12 0.00 0.09 0.00 0.00 178.44 180.13 2kw6 h ALA 107 N 0.53 1.80 0.02 1.53 0.00 -0.88 0.11 119.26 122.37 2kw6 h ALA 107 Ca -0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2kw6 h ALA 107 Cb 1.56 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2kw6 h ALA 107 CO 0.18 0.18 -0.25 1.49 0.00 0.00 0.00 179.25 180.85 2kw6 h GLU 108 N 0.31 0.04 -0.43 0.00 4.81 -1.26 -3.31 114.58 114.73 2kw6 h GLU 108 Ca 0.08 -0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 2kw6 h GLU 108 Cb 0.01 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2kw6 h GLU 108 CO -0.01 1.03 0.30 1.15 -0.73 0.00 0.00 179.01 180.75 2kw6 h THR 109 N -0.92 0.86 -0.49 0.32 2.02 -1.08 -1.28 112.91 112.34 2kw6 h THR 109 Ca -0.06 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 2kw6 h THR 109 Cb 1.12 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 2kw6 h THR 109 CO -0.00 0.03 0.04 -0.08 0.37 0.00 0.00 175.52 175.87 2kw6 h GLU 110 N 0.15 0.79 0.00 6.66 4.81 -1.09 0.20 114.58 126.10 2kw6 h GLU 110 Ca 0.20 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2kw6 h GLU 110 Cb 0.61 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2kw6 h GLU 110 CO -0.03 0.77 -0.28 0.00 -0.73 0.00 0.00 179.01 178.74 2kw6 h ARG 111 N 0.74 0.00 -0.18 1.92 2.47 -1.31 -3.02 114.38 115.00 2kw6 h ARG 111 Ca 0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 2kw6 h ARG 111 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2kw6 h ARG 111 CO 0.01 0.28 0.00 0.09 0.56 0.00 0.00 179.97 180.92 2kw6 n ASN 112 N -3.75 2.85 -4.84 7.04 3.02 -0.89 -5.07 115.26 113.62 2kw6 n ASN 112 Ca -0.01 -2.45 -0.29 0.00 -0.03 0.00 0.00 54.58 51.79 2kw6 n ASN 112 Cb 0.38 -0.29 0.11 0.00 -0.61 0.00 0.00 39.78 39.37 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 -1.80 2.25 -1.94 5.41 0.00 0.67 -4.98 121.76 121.37 2kw6 s ALA 113 Ca 0.24 -0.52 0.16 0.00 0.00 0.00 0.00 51.96 51.83 2kw6 s ALA 113 Cb 0.18 -3.01 0.46 0.00 0.00 0.00 0.00 23.12 20.75 2kw6 s ALA 113 CO 0.08 -1.90 1.38 0.54 0.00 0.00 0.00 175.76 175.86 2kw6 n ARG 114 N -3.50 2.26 0.00 0.00 3.00 -1.26 -5.05 116.66 112.11 2kw6 n ARG 114 Ca 0.07 -1.88 0.00 0.00 -0.01 0.00 0.00 57.85 56.03 2kw6 n ARG 114 Cb 0.59 -1.43 0.00 0.00 0.00 0.00 0.00 32.46 31.63 2kw6 n ARG 114 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08