#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 4.47 0.12 3.03 0.00 -1.26 -4.66 105.19 106.89 2kw6 n GLY 52 Ca 0.00 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.33 2kw6 n GLY 52 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2kw6 h HIS 53 N 3.80 0.00 -3.28 1.61 2.76 -2.14 -3.41 115.15 114.49 2kw6 h HIS 53 Ca 0.53 0.00 -0.61 0.00 -2.20 0.00 0.00 60.37 58.09 2kw6 h HIS 53 Cb 0.63 0.00 -0.36 0.00 1.55 0.00 0.00 27.41 29.22 2kw6 h HIS 53 CO 1.61 0.00 -0.82 -1.01 -1.30 0.00 0.00 177.93 176.40 2kw6 s HIS 54 N -3.14 2.32 0.10 5.26 0.09 -1.26 -5.13 115.29 113.53 2kw6 s HIS 54 Ca 0.09 -1.43 -0.23 0.00 -0.00 0.00 0.00 55.06 53.48 2kw6 s HIS 54 Cb 0.11 -1.63 -0.07 0.00 -0.00 0.00 0.00 32.58 30.99 2kw6 s HIS 54 CO 0.64 -0.71 0.71 -1.01 -0.00 0.00 0.00 174.74 174.36 2kw6 s HIS 55 N 1.43 3.83 0.87 1.40 0.09 -1.26 -5.08 115.29 116.57 2kw6 s HIS 55 Ca 0.02 1.48 -0.13 0.00 -0.00 0.00 0.00 55.06 56.43 2kw6 s HIS 55 Cb -0.15 -2.70 0.14 0.00 -0.00 0.00 0.00 32.58 29.87 2kw6 s HIS 55 CO -0.09 0.47 1.23 -1.01 -0.00 0.00 0.00 174.74 175.33 2kw6 s HIS 56 N -0.82 2.19 -0.69 1.40 4.02 -1.26 -4.95 115.29 115.19 2kw6 s HIS 56 Ca 0.34 0.45 -0.26 0.00 1.02 0.00 0.00 55.06 56.61 2kw6 s HIS 56 Cb -0.21 -3.75 -0.05 0.00 -1.02 0.00 0.00 32.58 27.54 2kw6 s HIS 56 CO 0.23 -2.18 2.04 -1.58 1.02 0.00 0.00 174.74 174.28 2kw6 s HIS 57 N -3.68 1.53 -0.15 1.40 5.65 -1.26 -4.95 115.29 113.83 2kw6 s HIS 57 Ca 0.68 1.02 -0.22 0.00 0.25 0.00 0.00 55.06 56.79 2kw6 s HIS 57 Cb -0.07 -3.91 -0.03 0.00 -1.18 0.00 0.00 32.58 27.39 2kw6 s HIS 57 CO 0.50 -2.11 0.68 -3.38 -0.65 0.00 0.00 174.74 169.78 2kw6 s HIS 58 N 10.56 3.44 0.12 3.88 0.00 -1.26 -5.06 115.29 126.97 2kw6 s HIS 58 Ca 0.76 1.07 -0.16 0.00 -3.00 0.00 0.00 55.06 53.73 2kw6 s HIS 58 Cb -0.12 -2.83 0.03 0.00 -4.00 0.00 0.00 32.58 25.67 2kw6 s HIS 58 CO 0.14 -0.10 0.39 -1.12 -1.00 0.00 0.00 174.74 173.05 2kw6 s SER 59 N 1.05 -0.22 0.05 7.38 0.01 -1.26 -5.19 113.70 115.52 2kw6 s SER 59 Ca 0.32 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.30 2kw6 s SER 59 Cb -0.16 0.46 -0.03 0.00 0.21 0.00 0.00 66.02 66.50 2kw6 s SER 59 CO 0.13 -0.83 -0.07 -1.00 0.41 0.00 0.00 173.24 171.88 2kw6 s HIS 60 N -3.70 0.65 0.72 2.43 4.02 -1.26 -5.15 115.29 112.99 2kw6 s HIS 60 Ca 0.02 -0.58 -0.07 0.00 1.02 0.00 0.00 55.06 55.46 2kw6 s HIS 60 Cb 0.02 -0.39 0.07 0.00 -1.02 0.00 0.00 32.58 31.26 2kw6 s HIS 60 CO -0.11 -0.12 1.03 -1.54 1.02 0.00 0.00 174.74 175.02 2kw6 s SER 61 N -1.82 4.68 0.39 1.40 1.04 -1.26 -4.96 113.70 113.17 2kw6 s SER 61 Ca -0.07 0.37 0.08 0.00 0.48 0.00 0.00 55.95 56.81 2kw6 s SER 61 Cb -0.07 -0.97 0.82 0.00 0.10 0.00 0.00 66.02 65.90 2kw6 s SER 61 CO -0.01 -1.68 1.98 0.11 0.98 0.00 0.00 173.24 174.63 2kw6 h LYS 62 N -0.64 0.63 0.00 4.02 1.79 -2.01 -2.54 116.57 117.82 2kw6 h LYS 62 Ca -0.44 -0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 57.84 2kw6 h LYS 62 Cb 1.31 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.79 2kw6 h LYS 62 CO 0.57 0.42 -0.86 1.88 -1.08 0.00 0.00 179.45 180.38 2kw6 h TYR 63 N 0.65 0.00 -0.38 -1.35 0.05 -1.94 -3.22 116.97 110.77 2kw6 h TYR 63 Ca 0.27 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.97 2kw6 h TYR 63 Cb 0.26 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 2kw6 h TYR 63 CO -0.00 0.65 -0.09 0.00 -1.05 0.00 0.00 178.16 177.66 2kw6 h ALA 64 N 1.35 1.12 -0.10 3.88 0.00 -1.83 -1.27 119.26 122.41 2kw6 h ALA 64 Ca -0.05 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 2kw6 h ALA 64 Cb 1.54 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2kw6 h ALA 64 CO 0.08 0.55 -0.64 1.49 0.00 0.00 0.00 179.25 180.73 2kw6 h GLU 65 N 0.61 0.39 -0.46 0.00 4.57 -1.62 -2.13 114.58 115.93 2kw6 h GLU 65 Ca 0.11 -0.28 -0.09 0.00 -1.18 0.00 0.00 59.36 57.93 2kw6 h GLU 65 Cb 0.52 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 2kw6 h GLU 65 CO 0.03 0.90 -0.05 1.25 -1.18 0.00 0.00 179.01 179.96 2kw6 h LEU 66 N 0.28 0.84 -0.83 1.64 5.85 -1.49 -1.79 115.31 119.81 2kw6 h LEU 66 Ca -0.01 -0.33 -0.11 0.00 0.84 0.00 0.00 57.88 58.26 2kw6 h LEU 66 Cb 1.18 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2kw6 h LEU 66 CO 0.11 0.97 -0.34 0.25 -0.34 0.00 0.00 178.44 179.09 2kw6 h LEU 67 N 0.69 0.48 -1.17 2.25 5.85 -1.27 -3.14 115.31 119.01 2kw6 h LEU 67 Ca 0.12 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 2kw6 h LEU 67 Cb 0.57 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2kw6 h LEU 67 CO 0.03 0.79 -0.29 0.00 -0.34 0.00 0.00 178.44 178.64 2kw6 h ALA 68 N 1.24 1.31 -0.02 1.25 0.00 -0.94 -2.11 119.26 119.98 2kw6 h ALA 68 Ca 0.05 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2kw6 h ALA 68 Cb 0.79 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2kw6 h ALA 68 CO 0.06 0.47 -0.14 0.82 0.00 0.00 0.00 179.25 180.47 2kw6 h ILE 69 N 0.19 1.50 -0.40 0.00 2.04 -1.37 -3.31 117.51 116.16 2kw6 h ILE 69 Ca 0.03 -1.67 -0.08 0.00 1.00 0.00 0.00 64.86 64.14 2kw6 h ILE 69 Cb 0.61 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 39.20 2kw6 h ILE 69 CO 0.04 0.45 -0.07 0.40 0.00 0.00 0.00 178.15 178.98 2kw6 h ILE 70 N -0.47 1.24 0.00 -0.67 2.04 -1.46 -1.05 117.51 117.14 2kw6 h ILE 70 Ca -0.01 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 2kw6 h ILE 70 Cb 0.81 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2kw6 h ILE 70 CO 0.03 0.36 -0.04 1.05 0.00 0.00 0.00 178.15 179.54 2kw6 h GLU 71 N 0.63 0.00 0.13 2.37 4.11 -1.54 -2.46 114.58 117.82 2kw6 h GLU 71 Ca 0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 2kw6 h GLU 71 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2kw6 h GLU 71 CO 0.03 0.04 -0.06 0.93 0.07 0.00 0.00 179.01 180.02 2kw6 h GLU 72 N 0.00 -0.17 -1.14 1.06 5.08 -1.31 -3.36 114.58 114.74 2kw6 h GLU 72 Ca -0.00 0.01 0.32 0.00 -1.00 0.00 0.00 59.36 58.69 2kw6 h GLU 72 Cb 0.29 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.48 2kw6 h GLU 72 CO 0.01 0.19 0.76 -0.07 -1.00 0.00 0.00 179.01 178.89 2kw6 h LEU 73 N -0.97 0.31 -0.38 1.33 3.38 -1.02 -0.99 115.31 116.98 2kw6 h LEU 73 Ca -0.02 0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 2kw6 h LEU 73 Cb 0.44 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2kw6 h LEU 73 CO 0.03 0.01 -0.70 1.23 0.09 0.00 0.00 178.44 179.10 2kw6 h GLY 74 N 0.24 0.58 2.00 0.83 0.00 -1.61 -3.02 103.07 102.10 2kw6 h GLY 74 Ca 0.64 -0.78 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 2kw6 h GLY 74 CO -0.26 0.70 -0.22 0.50 0.00 0.00 0.00 176.54 177.26 2kw6 h LYS 75 N 0.37 0.00 -0.71 4.80 1.57 -1.33 -3.22 116.57 118.05 2kw6 h LYS 75 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2kw6 h LYS 75 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2kw6 h LYS 75 CO 0.13 0.22 0.00 0.39 -0.57 0.00 0.00 179.45 179.62 2kw6 n GLU 76 N -3.28 3.16 -0.03 3.15 1.02 -1.02 -4.26 120.64 119.38 2kw6 n GLU 76 Ca 0.01 -2.78 -0.14 0.00 -0.02 0.00 0.00 57.16 54.23 2kw6 n GLU 76 Cb 0.49 -1.72 -0.11 0.00 -0.02 0.00 0.00 31.44 30.09 2kw6 n GLU 76 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2kw6 h ILE 77 N 4.29 1.52 -0.29 -3.67 2.04 -1.54 -3.23 117.51 116.63 2kw6 h ILE 77 Ca 0.00 -1.68 0.03 0.00 1.00 0.00 0.00 64.86 64.21 2kw6 h ILE 77 Cb 1.19 2.59 -0.03 0.00 -0.74 0.00 0.00 36.82 39.84 2kw6 h ILE 77 CO 0.10 0.45 0.10 -0.09 0.00 0.00 0.00 178.15 178.71 2kw6 h ARG 78 N -0.54 0.23 -0.46 2.37 2.43 -1.81 0.37 114.38 116.97 2kw6 h ARG 78 Ca -0.01 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 2kw6 h ARG 78 Cb 0.79 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 2kw6 h ARG 78 CO 0.02 0.15 -0.11 -1.00 -1.51 0.00 0.00 179.97 177.52 2kw6 h PRO 79 N 0.23 0.83 -0.25 0.20 0.13 -1.83 -0.63 132.00 130.68 2kw6 h PRO 79 Ca 0.13 -0.29 0.05 0.00 -0.87 0.00 0.00 66.00 65.02 2kw6 h PRO 79 Cb 0.09 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 31.11 2kw6 h PRO 79 CO -0.13 0.91 -0.05 1.15 -0.23 0.00 0.00 178.00 179.65 2kw6 h THR 80 N 0.75 0.76 -0.72 1.56 2.02 -1.50 -1.54 112.91 114.25 2kw6 h THR 80 Ca 0.12 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.32 2kw6 h THR 80 Cb 0.61 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 2kw6 h THR 80 CO 0.04 0.00 0.47 0.22 0.37 0.00 0.00 175.52 176.63 2kw6 h TYR 81 N 0.01 0.87 0.00 3.16 3.20 -0.79 -1.76 116.97 121.67 2kw6 h TYR 81 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2kw6 h TYR 81 Cb 0.18 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.16 2kw6 h TYR 81 CO -0.24 0.52 0.00 0.00 -1.64 0.00 0.00 178.16 176.80 2kw6 n ALA 82 N -2.43 2.48 -1.74 1.82 0.00 -0.26 -4.87 120.51 115.52 2kw6 n ALA 82 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2kw6 n ALA 82 Cb 0.08 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 0.63 0.84 3.53 0.00 0.00 -0.66 -5.05 105.19 104.48 2kw6 n GLY 83 Ca 0.15 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.78 6.24 0.38 1.61 0.01 -0.65 -4.97 113.70 113.55 2kw6 s SER 84 Ca 0.00 -0.26 0.10 0.00 1.31 0.00 0.00 55.95 57.10 2kw6 s SER 84 Cb 0.00 -2.24 0.77 0.00 0.21 0.00 0.00 66.02 64.76 2kw6 s SER 84 CO 0.00 -0.47 1.90 0.50 0.41 0.00 0.00 173.24 175.57 2kw6 h LYS 85 N 8.55 0.20 -0.30 12.44 3.64 -1.92 -2.62 116.57 136.56 2kw6 h LYS 85 Ca -0.28 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 58.90 2kw6 h LYS 85 Cb 1.13 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2kw6 h LYS 85 CO 0.76 0.38 -0.40 0.66 -2.27 0.00 0.00 179.45 178.58 2kw6 h SER 86 N 0.19 0.77 -0.28 4.20 4.64 -1.97 -2.90 113.55 118.20 2kw6 h SER 86 Ca 0.04 -0.35 -0.17 0.00 -0.47 0.00 0.00 61.79 60.84 2kw6 h SER 86 Cb 0.43 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2kw6 h SER 86 CO 0.03 1.08 -0.47 0.00 -0.87 0.00 0.00 176.83 176.60 2kw6 h ALA 87 N 0.96 0.44 -0.15 5.18 0.00 -1.84 -2.02 119.26 121.82 2kw6 h ALA 87 Ca 0.05 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 2kw6 h ALA 87 Cb 0.95 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2kw6 h ALA 87 CO 0.09 0.60 -0.30 0.00 0.00 0.00 0.00 179.25 179.64 2kw6 h MET 88 N 0.59 0.29 -0.33 0.00 -0.00 -1.50 -0.15 114.93 113.82 2kw6 h MET 88 Ca 0.02 -0.11 -0.09 0.00 -0.00 0.00 0.00 59.70 59.52 2kw6 h MET 88 Cb 1.07 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.65 2kw6 h MET 88 CO 0.11 0.56 -0.15 0.93 -0.00 0.00 0.00 176.91 178.36 2kw6 h GLU 89 N 0.25 0.68 -0.83 -0.10 5.08 -1.44 -0.38 114.58 117.84 2kw6 h GLU 89 Ca 0.04 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 2kw6 h GLU 89 Cb 0.66 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2kw6 h GLU 89 CO 0.05 0.89 0.40 0.00 -1.00 0.00 0.00 179.01 179.34 2kw6 h ARG 90 N 0.45 1.19 -0.37 2.33 2.47 -1.11 -1.97 114.38 117.37 2kw6 h ARG 90 Ca 0.07 -0.17 -0.10 0.00 -1.26 0.00 0.00 59.98 58.52 2kw6 h ARG 90 Cb 0.67 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 2kw6 h ARG 90 CO 0.05 0.91 -0.16 1.25 0.56 0.00 0.00 179.97 182.58 2kw6 h LEU 91 N 1.18 0.78 0.67 3.04 5.85 -1.01 -3.05 115.31 122.77 2kw6 h LEU 91 Ca 0.28 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 2kw6 h LEU 91 Cb 0.12 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 40.94 2kw6 h LEU 91 CO -0.04 1.00 -0.32 0.50 -0.34 0.00 0.00 178.44 179.24 2kw6 h LYS 92 N 0.55 -0.87 -0.85 1.25 3.64 -0.78 -1.90 116.57 117.61 2kw6 h LYS 92 Ca 0.08 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2kw6 h LYS 92 Cb 0.70 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.68 2kw6 h LYS 92 CO 0.05 -0.55 0.46 0.00 -2.27 0.00 0.00 179.45 177.15 2kw6 h ARG 93 N -1.04 1.18 -0.29 1.90 2.47 -1.49 -1.81 114.38 115.30 2kw6 h ARG 93 Ca -0.09 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 2kw6 h ARG 93 Cb 0.72 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 2kw6 h ARG 93 CO 0.15 0.86 0.12 0.78 0.56 0.00 0.00 179.97 182.44 2kw6 h GLY 94 N 1.20 0.46 0.97 0.04 0.00 -1.54 -1.28 103.07 102.92 2kw6 h GLY 94 Ca 0.30 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 2kw6 h GLY 94 CO -0.05 0.23 0.07 -2.22 0.00 0.00 0.00 176.54 174.57 2kw6 h ILE 95 N 0.32 1.06 -0.61 2.60 2.04 -0.88 0.10 117.51 122.14 2kw6 h ILE 95 Ca 0.10 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2kw6 h ILE 95 Cb 0.16 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2kw6 h ILE 95 CO -0.01 0.05 0.36 0.40 0.00 0.00 0.00 178.15 178.96 2kw6 h ILE 96 N 0.12 1.18 -0.64 -0.67 2.04 -1.37 -1.58 117.51 116.59 2kw6 h ILE 96 Ca 0.04 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 2kw6 h ILE 96 Cb 0.03 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 2kw6 h ILE 96 CO -0.01 0.19 0.27 -0.74 0.00 0.00 0.00 178.15 177.86 2kw6 h HIS 97 N 0.82 0.96 -0.80 1.37 2.76 -1.03 -2.24 115.15 117.00 2kw6 h HIS 97 Ca 0.22 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2kw6 h HIS 97 Cb -0.02 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 28.62 2kw6 h HIS 97 CO -0.02 0.75 0.40 0.00 -1.30 0.00 0.00 177.93 177.77 2kw6 h ALA 98 N 1.11 1.02 -0.18 5.26 0.00 -0.49 -1.78 119.26 124.20 2kw6 h ALA 98 Ca 0.22 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2kw6 h ALA 98 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2kw6 h ALA 98 CO -0.02 0.57 -0.15 -0.09 0.00 0.00 0.00 179.25 179.56 2kw6 h ARG 99 N 1.12 0.29 -0.40 0.00 2.43 -1.10 -1.40 114.38 115.31 2kw6 h ARG 99 Ca 0.28 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 2kw6 h ARG 99 Cb 0.08 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2kw6 h ARG 99 CO -0.04 0.45 -0.04 0.78 -1.51 0.00 0.00 179.97 179.60 2kw6 h GLY 100 N 0.83 0.72 2.00 2.80 0.00 -0.73 -1.79 103.07 106.89 2kw6 h GLY 100 Ca 0.05 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 2kw6 h GLY 100 CO 0.03 0.45 -0.62 1.41 0.00 0.00 0.00 176.54 177.81 2kw6 h LEU 101 N 0.62 0.00 -0.71 3.11 3.38 -0.70 -2.21 115.31 118.80 2kw6 h LEU 101 Ca 0.12 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 2kw6 h LEU 101 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2kw6 h LEU 101 CO 0.02 0.62 -0.15 0.58 0.09 0.00 0.00 178.44 179.60 2kw6 h VAL 102 N 0.00 1.26 -0.46 1.22 2.07 -0.93 -1.19 116.25 118.22 2kw6 h VAL 102 Ca -0.01 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.21 2kw6 h VAL 102 Cb 1.23 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 2kw6 h VAL 102 CO 0.08 0.43 0.09 0.03 0.02 0.00 0.00 177.57 178.21 2kw6 h ARG 103 N 0.74 0.70 -0.61 1.57 2.47 -1.13 0.31 114.38 118.44 2kw6 h ARG 103 Ca 0.12 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 2kw6 h ARG 103 Cb 0.66 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.85 2kw6 h ARG 103 CO 0.05 0.66 0.29 0.93 0.56 0.00 0.00 179.97 182.45 2kw6 h GLU 104 N 0.68 0.89 -0.39 0.04 4.39 -1.08 -2.29 114.58 116.81 2kw6 h GLU 104 Ca 0.15 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 2kw6 h GLU 104 Cb 0.29 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2kw6 h GLU 104 CO 0.00 0.72 -0.27 0.00 -1.16 0.00 0.00 179.01 178.30 2kw6 h LEU 106 N 0.70 -0.60 -1.75 0.00 3.38 -0.90 -1.88 115.31 114.26 2kw6 h LEU 106 Ca 0.08 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2kw6 h LEU 106 Cb 0.81 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2kw6 h LEU 106 CO 0.07 -0.34 -0.13 0.00 0.09 0.00 0.00 178.44 178.12 2kw6 h ALA 107 N -0.40 1.75 0.00 1.53 0.00 -1.42 0.01 119.26 120.73 2kw6 h ALA 107 Ca -0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kw6 h ALA 107 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2kw6 h ALA 107 CO 0.12 0.17 -0.00 1.49 0.00 0.00 0.00 179.25 181.02 2kw6 h GLU 108 N 0.00 -0.00 0.00 0.00 4.57 -0.93 -2.01 114.58 116.20 2kw6 h GLU 108 Ca -0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2kw6 h GLU 108 Cb 0.24 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2kw6 h GLU 108 CO 0.02 0.11 -0.25 1.15 -1.18 0.00 0.00 179.01 178.86 2kw6 h THR 109 N -0.11 0.52 -0.02 0.32 2.02 -0.99 -1.68 112.91 112.96 2kw6 h THR 109 Ca -0.00 -1.31 -0.22 0.00 0.77 0.00 0.00 66.41 65.65 2kw6 h THR 109 Cb 0.11 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 2kw6 h THR 109 CO 0.00 0.24 -0.90 -0.08 0.37 0.00 0.00 175.52 175.15 2kw6 h GLU 110 N 0.00 0.45 0.17 6.66 4.81 -0.82 0.13 114.58 125.97 2kw6 h GLU 110 Ca -0.00 -0.45 -0.31 0.00 -0.13 0.00 0.00 59.36 58.47 2kw6 h GLU 110 Cb 0.90 0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.41 2kw6 h GLU 110 CO 0.03 1.10 -1.43 0.00 -0.73 0.00 0.00 179.01 177.98 2kw6 h ARG 111 N 0.27 0.35 -0.01 1.92 3.08 -1.32 -3.35 114.38 115.32 2kw6 h ARG 111 Ca -0.07 -0.60 -0.16 0.00 0.07 0.00 0.00 59.98 59.21 2kw6 h ARG 111 Cb 1.52 0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.78 2kw6 h ARG 111 CO 0.16 1.27 -0.73 -0.97 -1.07 0.00 0.00 179.97 178.63 2kw6 h ASN 112 N 0.10 0.12 -5.24 7.04 -1.24 -1.33 -3.47 115.58 111.54 2kw6 h ASN 112 Ca -0.21 -0.08 -0.09 0.00 0.71 0.00 0.00 56.30 56.63 2kw6 h ASN 112 Cb 2.05 -0.04 -0.12 0.00 0.73 0.00 0.00 38.32 40.95 2kw6 h ASN 112 CO 0.21 0.80 -0.24 0.00 -1.29 0.00 0.00 177.43 176.91 2kw6 s ALA 113 N -3.43 -0.15 -0.00 1.57 0.00 0.03 -5.06 121.76 114.71 2kw6 s ALA 113 Ca -0.02 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.16 2kw6 s ALA 113 Cb 0.12 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 24.12 2kw6 s ALA 113 CO 0.79 -0.71 -0.07 1.03 0.00 0.00 0.00 175.76 176.81 2kw6 s ARG 114 N -3.97 2.56 0.00 0.00 0.52 -1.26 -4.16 118.95 112.65 2kw6 s ARG 114 Ca 0.18 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 2kw6 s ARG 114 Cb 0.02 -2.50 0.00 0.00 0.52 0.00 0.00 34.95 32.99 2kw6 s ARG 114 CO 0.02 0.61 0.00 0.45 0.02 0.00 0.00 175.30 176.39