#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 0.09 1.34 -5.12 0.00 -1.26 -4.76 105.19 95.49 2kw6 n GLY 52 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 4.24 0.00 -1.70 1.61 8.25 -1.26 -5.10 115.22 121.26 2kw6 n HIS 53 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 2kw6 n HIS 53 Cb 0.00 0.24 0.06 0.00 1.12 0.00 0.00 29.99 31.41 2kw6 n HIS 53 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kw6 s HIS 54 N -1.92 2.48 0.92 4.41 0.00 -1.26 -5.05 115.29 114.86 2kw6 s HIS 54 Ca 0.00 1.56 -0.13 0.00 -3.00 0.00 0.00 55.06 53.50 2kw6 s HIS 54 Cb 0.00 -3.25 0.14 0.00 -4.00 0.00 0.00 32.58 25.47 2kw6 s HIS 54 CO 0.00 -1.92 1.15 -3.38 -1.00 0.00 0.00 174.74 169.60 2kw6 s HIS 55 N -2.22 2.39 -0.19 0.38 0.00 -1.26 -5.06 115.29 109.33 2kw6 s HIS 55 Ca 0.69 0.79 -0.13 0.00 -3.00 0.00 0.00 55.06 53.42 2kw6 s HIS 55 Cb -0.23 -3.45 -0.05 0.00 -4.00 0.00 0.00 32.58 24.86 2kw6 s HIS 55 CO 0.42 -2.42 0.25 -1.01 -1.00 0.00 0.00 174.74 170.98 2kw6 s HIS 56 N -3.33 3.41 -0.05 0.38 4.02 -1.26 -5.07 115.29 113.39 2kw6 s HIS 56 Ca 0.65 0.47 -0.30 0.00 1.02 0.00 0.00 55.06 56.90 2kw6 s HIS 56 Cb -0.14 -2.31 -0.04 0.00 -1.02 0.00 0.00 32.58 29.07 2kw6 s HIS 56 CO 0.53 0.18 1.43 -1.58 1.02 0.00 0.00 174.74 176.32 2kw6 s HIS 57 N 0.67 2.64 0.00 1.40 5.65 -1.26 -4.96 115.29 119.43 2kw6 s HIS 57 Ca 0.13 0.71 -0.30 0.00 0.25 0.00 0.00 55.06 55.85 2kw6 s HIS 57 Cb -0.13 -3.68 -0.09 0.00 -1.18 0.00 0.00 32.58 27.50 2kw6 s HIS 57 CO 0.03 -2.61 2.00 -2.39 -0.65 0.00 0.00 174.74 171.13 2kw6 n HIS 58 N 6.10 2.45 -3.70 3.88 -0.00 -1.26 -4.96 115.22 117.73 2kw6 n HIS 58 Ca 0.14 -0.34 -0.39 0.00 -0.00 0.00 0.00 57.72 57.14 2kw6 n HIS 58 Cb 0.44 -2.79 -0.12 0.00 -0.00 0.00 0.00 29.99 27.52 2kw6 n HIS 58 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2kw6 s SER 59 N 4.87 5.43 0.00 4.39 0.01 -1.26 -4.97 113.70 122.17 2kw6 s SER 59 Ca 0.91 -1.04 0.28 0.00 1.31 0.00 0.00 55.95 57.41 2kw6 s SER 59 Cb -0.44 -1.92 1.54 0.00 0.21 0.00 0.00 66.02 65.41 2kw6 s SER 59 CO 0.42 -0.33 1.98 1.57 0.41 0.00 0.00 173.24 177.29 2kw6 n HIS 60 N 4.88 0.00 -1.73 2.43 -0.00 -1.26 -4.19 115.22 115.35 2kw6 n HIS 60 Ca -0.12 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.64 2kw6 n HIS 60 Cb 0.45 -0.14 -0.01 0.00 -0.12 0.00 0.00 29.99 30.18 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 -1.14 3.20 0.22 0.26 7.64 -1.26 -4.81 113.62 117.73 2kw6 n SER 61 Ca 0.17 1.21 0.08 0.00 1.01 0.00 0.00 58.87 61.35 2kw6 n SER 61 Cb 0.16 -1.54 0.51 0.00 -1.01 0.00 0.00 64.21 62.33 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 2.87 0.00 0.11 1.43 6.56 -1.98 0.16 116.57 125.72 2kw6 h LYS 62 Ca -0.48 0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 58.82 2kw6 h LYS 62 Cb 1.26 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.92 2kw6 h LYS 62 CO 0.64 0.25 -1.40 1.88 -2.06 0.00 0.00 179.45 178.76 2kw6 h TYR 63 N 0.00 0.42 0.00 -1.35 0.05 -1.95 -0.81 116.97 113.34 2kw6 h TYR 63 Ca -0.00 -0.31 -0.08 0.00 0.05 0.00 0.00 58.73 58.39 2kw6 h TYR 63 Cb 0.61 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 2kw6 h TYR 63 CO 0.00 1.31 -0.37 0.00 -1.05 0.00 0.00 178.16 178.05 2kw6 h ALA 64 N 0.57 1.06 -0.11 3.88 0.00 -1.75 -1.49 119.26 121.42 2kw6 h ALA 64 Ca -0.19 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 2kw6 h ALA 64 Cb 1.99 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.72 2kw6 h ALA 64 CO 0.17 0.46 -0.56 1.49 0.00 0.00 0.00 179.25 180.81 2kw6 h GLU 65 N 0.00 0.58 -0.85 0.00 4.57 -0.72 -1.92 114.58 116.23 2kw6 h GLU 65 Ca -0.00 -0.47 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2kw6 h GLU 65 Cb 0.83 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 2kw6 h GLU 65 CO 0.05 1.10 0.54 1.25 -1.18 0.00 0.00 179.01 180.76 2kw6 h LEU 66 N 0.21 1.00 -0.18 1.64 5.85 -0.99 0.28 115.31 123.13 2kw6 h LEU 66 Ca -0.04 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2kw6 h LEU 66 Cb 1.20 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2kw6 h LEU 66 CO 0.12 0.75 0.06 0.25 -0.34 0.00 0.00 178.44 179.28 2kw6 h LEU 67 N 1.16 0.25 -1.12 2.25 5.85 -1.31 -2.66 115.31 119.72 2kw6 h LEU 67 Ca 0.31 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 2kw6 h LEU 67 Cb -0.09 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2kw6 h LEU 67 CO -0.06 0.36 -0.26 0.00 -0.34 0.00 0.00 178.44 178.15 2kw6 h ALA 68 N 0.90 1.27 0.18 1.25 0.00 -0.74 -0.97 119.26 121.15 2kw6 h ALA 68 Ca 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2kw6 h ALA 68 Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kw6 h ALA 68 CO -0.00 0.49 -0.09 0.82 0.00 0.00 0.00 179.25 180.47 2kw6 h ILE 69 N 0.27 0.85 -0.33 0.00 2.04 -1.00 -3.22 117.51 116.12 2kw6 h ILE 69 Ca 0.04 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 64.79 2kw6 h ILE 69 Cb 0.60 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 2kw6 h ILE 69 CO 0.04 0.21 -0.08 0.40 0.00 0.00 0.00 178.15 178.72 2kw6 h ILE 70 N -0.82 1.23 0.00 -0.67 2.04 -1.34 -1.20 117.51 116.75 2kw6 h ILE 70 Ca -0.02 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 2kw6 h ILE 70 Cb 0.52 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2kw6 h ILE 70 CO 0.04 0.33 -0.23 1.05 0.00 0.00 0.00 178.15 179.34 2kw6 h GLU 71 N 0.52 0.00 0.02 2.37 4.11 -1.31 -3.00 114.58 117.29 2kw6 h GLU 71 Ca 0.10 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.53 2kw6 h GLU 71 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2kw6 h GLU 71 CO 0.02 0.23 -0.01 0.93 0.07 0.00 0.00 179.01 180.25 2kw6 h GLU 72 N 0.00 -0.02 -0.98 1.06 4.39 -1.31 -3.37 114.58 114.36 2kw6 h GLU 72 Ca -0.00 0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.91 2kw6 h GLU 72 Cb 0.54 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.11 2kw6 h GLU 72 CO 0.03 0.75 0.62 -0.07 -1.16 0.00 0.00 179.01 179.17 2kw6 h LEU 73 N -0.90 0.60 -1.62 1.33 3.38 -1.19 -1.24 115.31 115.66 2kw6 h LEU 73 Ca -0.00 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2kw6 h LEU 73 Cb 0.78 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2kw6 h LEU 73 CO 0.00 0.21 -0.21 1.23 0.09 0.00 0.00 178.44 179.76 2kw6 h GLY 74 N 0.58 0.00 1.77 0.83 0.00 -1.68 -2.05 103.07 102.52 2kw6 h GLY 74 Ca 0.54 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.69 2kw6 h GLY 74 CO -0.29 0.00 -0.82 0.50 0.00 0.00 0.00 176.54 175.93 2kw6 h LYS 75 N 0.00 0.21 0.00 4.80 1.57 -1.39 -3.29 116.57 118.46 2kw6 h LYS 75 Ca -0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2kw6 h LYS 75 Cb 0.44 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2kw6 h LYS 75 CO 0.03 0.92 0.00 0.39 -0.57 0.00 0.00 179.45 180.21 2kw6 n GLU 76 N -3.71 0.00 -0.05 3.15 -0.58 -0.78 -3.68 120.64 114.99 2kw6 n GLU 76 Ca -0.03 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.56 2kw6 n GLU 76 Cb 0.76 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 30.07 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 1.33 -0.25 -3.67 2.04 -1.61 -2.87 117.51 112.48 2kw6 h ILE 77 Ca 0.00 -1.71 0.04 0.00 1.00 0.00 0.00 64.86 64.19 2kw6 h ILE 77 Cb 0.50 1.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 2kw6 h ILE 77 CO 0.00 0.53 0.00 -0.09 0.00 0.00 0.00 178.15 178.59 2kw6 h ARG 78 N 0.29 0.08 0.00 2.37 2.43 -1.77 -0.23 114.38 117.56 2kw6 h ARG 78 Ca -0.01 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 2kw6 h ARG 78 Cb 1.08 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 2kw6 h ARG 78 CO 0.10 0.05 -0.64 -1.35 -1.51 0.00 0.00 179.97 176.62 2kw6 h PRO 79 N 0.08 0.00 -0.42 0.20 0.11 -1.79 -2.69 132.00 127.49 2kw6 h PRO 79 Ca 0.12 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.26 2kw6 h PRO 79 Cb 0.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 2kw6 h PRO 79 CO -0.20 0.64 0.22 1.15 -0.21 0.00 0.00 178.00 179.60 2kw6 h THR 80 N 0.00 0.99 0.00 -1.15 2.02 -1.23 -0.80 112.91 112.74 2kw6 h THR 80 Ca -0.01 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 2kw6 h THR 80 Cb 1.14 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2kw6 h THR 80 CO 0.08 0.08 -0.11 0.22 0.37 0.00 0.00 175.52 176.16 2kw6 h TYR 81 N 0.45 0.00 -0.27 3.16 3.20 -1.04 -1.64 116.97 120.84 2kw6 h TYR 81 Ca 0.18 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2kw6 h TYR 81 Cb 0.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2kw6 h TYR 81 CO -0.09 0.11 0.00 0.00 -1.64 0.00 0.00 178.16 176.54 2kw6 n ALA 82 N -2.47 2.69 -2.48 1.82 0.00 -0.60 -4.91 120.51 114.57 2kw6 n ALA 82 Ca -0.03 -0.61 -0.08 0.00 0.00 0.00 0.00 53.44 52.73 2kw6 n ALA 82 Cb 0.19 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 0.67 0.24 3.51 0.00 0.00 -0.62 -5.02 105.19 103.98 2kw6 n GLY 83 Ca 0.10 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.87 6.17 0.59 1.61 0.01 -0.41 -4.95 113.70 113.84 2kw6 s SER 84 Ca 0.09 -0.45 0.37 0.00 1.31 0.00 0.00 55.95 57.27 2kw6 s SER 84 Cb -0.04 -2.20 1.76 0.00 0.21 0.00 0.00 66.02 65.75 2kw6 s SER 84 CO 0.11 -0.42 2.13 0.50 0.41 0.00 0.00 173.24 175.97 2kw6 h LYS 85 N 8.57 0.00 0.06 12.44 3.64 -1.93 -2.81 116.57 136.54 2kw6 h LYS 85 Ca -0.28 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2kw6 h LYS 85 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2kw6 h LYS 85 CO 0.73 0.01 -0.03 0.66 -2.27 0.00 0.00 179.45 178.55 2kw6 h SER 86 N 0.00 -0.07 -0.53 4.20 4.64 -1.96 -3.31 113.55 116.52 2kw6 h SER 86 Ca -0.00 -0.46 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 2kw6 h SER 86 Cb 0.31 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 2kw6 h SER 86 CO 0.00 0.44 0.08 0.00 -0.87 0.00 0.00 176.83 176.49 2kw6 h ALA 87 N 0.27 0.71 -0.28 5.18 0.00 -1.82 -2.86 119.26 120.46 2kw6 h ALA 87 Ca -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.66 2kw6 h ALA 87 Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2kw6 h ALA 87 CO 0.01 0.45 0.19 0.00 0.00 0.00 0.00 179.25 179.90 2kw6 h MET 88 N 0.77 0.36 -0.04 0.00 3.00 -1.67 -0.71 114.93 116.63 2kw6 h MET 88 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 59.70 59.82 2kw6 h MET 88 Cb 0.41 -0.08 -0.00 0.00 0.00 0.00 0.00 31.60 31.93 2kw6 h MET 88 CO 0.01 0.24 -0.06 0.93 0.00 0.00 0.00 176.91 178.03 2kw6 h GLU 89 N 0.37 0.12 -0.67 -0.10 4.39 -1.59 -1.08 114.58 116.02 2kw6 h GLU 89 Ca 0.10 -0.07 0.11 0.00 0.34 0.00 0.00 59.36 59.84 2kw6 h GLU 89 Cb -0.03 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.55 2kw6 h GLU 89 CO -0.02 0.61 0.27 0.00 -1.16 0.00 0.00 179.01 178.71 2kw6 h ARG 90 N -0.37 0.44 -0.11 2.33 2.47 -1.33 -2.44 114.38 115.37 2kw6 h ARG 90 Ca 0.00 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 2kw6 h ARG 90 Cb 0.60 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.82 2kw6 h ARG 90 CO 0.01 0.29 -0.06 1.25 0.56 0.00 0.00 179.97 182.03 2kw6 h LEU 91 N 0.45 0.24 0.26 3.04 5.85 -1.13 -2.94 115.31 121.08 2kw6 h LEU 91 Ca 0.34 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2kw6 h LEU 91 Cb 0.44 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2kw6 h LEU 91 CO -0.33 0.61 -0.13 0.50 -0.34 0.00 0.00 178.44 178.75 2kw6 h LYS 92 N -0.13 -0.34 -0.87 1.25 1.63 -1.10 -2.13 116.57 114.88 2kw6 h LYS 92 Ca 0.02 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 2kw6 h LYS 92 Cb 0.52 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 32.17 2kw6 h LYS 92 CO 0.02 -0.03 0.56 0.00 -3.45 0.00 0.00 179.45 176.55 2kw6 h ARG 93 N -0.68 1.04 -0.09 1.90 3.08 -1.55 -1.22 114.38 116.86 2kw6 h ARG 93 Ca -0.04 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.78 2kw6 h ARG 93 Cb 0.47 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2kw6 h ARG 93 CO 0.06 0.69 -0.65 0.78 -1.07 0.00 0.00 179.97 179.78 2kw6 h GLY 94 N 1.07 0.41 1.03 0.04 0.00 -1.55 -1.43 103.07 102.64 2kw6 h GLY 94 Ca 0.36 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 2kw6 h GLY 94 CO -0.13 0.48 0.17 -2.22 0.00 0.00 0.00 176.54 174.84 2kw6 h ILE 95 N 0.27 1.25 -0.13 2.60 2.04 -0.81 0.86 117.51 123.59 2kw6 h ILE 95 Ca -0.01 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 64.95 2kw6 h ILE 95 Cb 1.20 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2kw6 h ILE 95 CO 0.11 0.34 0.04 0.40 0.00 0.00 0.00 178.15 179.04 2kw6 h ILE 96 N 0.93 0.97 -0.54 -0.67 2.04 -1.11 -2.49 117.51 116.64 2kw6 h ILE 96 Ca 0.20 -0.04 -0.09 0.00 1.00 0.00 0.00 64.86 65.94 2kw6 h ILE 96 Cb 0.34 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2kw6 h ILE 96 CO -0.00 0.02 -0.00 0.45 0.00 0.00 0.00 178.15 178.61 2kw6 h HIS 97 N 0.10 1.00 -0.82 1.37 3.86 -1.07 -1.00 115.15 118.59 2kw6 h HIS 97 Ca 0.06 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 59.07 2kw6 h HIS 97 Cb 0.03 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.20 2kw6 h HIS 97 CO -0.11 0.90 0.36 0.00 0.86 0.00 0.00 177.93 179.95 2kw6 h ALA 98 N 1.13 1.09 -0.10 2.45 0.00 -0.76 -1.77 119.26 121.31 2kw6 h ALA 98 Ca 0.16 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2kw6 h ALA 98 Cb 0.51 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2kw6 h ALA 98 CO 0.03 0.66 -0.43 -0.09 0.00 0.00 0.00 179.25 179.42 2kw6 h ARG 99 N 1.18 0.22 -0.60 0.00 2.43 -1.19 -2.91 114.38 113.51 2kw6 h ARG 99 Ca 0.28 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 2kw6 h ARG 99 Cb 0.16 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 2kw6 h ARG 99 CO -0.03 0.62 0.40 0.78 -1.51 0.00 0.00 179.97 180.23 2kw6 h GLY 100 N 1.26 0.83 1.13 2.80 0.00 -0.31 -1.88 103.07 106.89 2kw6 h GLY 100 Ca 0.01 -0.30 -0.16 0.00 0.00 0.00 0.00 47.33 46.89 2kw6 h GLY 100 CO 0.07 0.28 -0.38 1.41 0.00 0.00 0.00 176.54 177.92 2kw6 h LEU 101 N 0.77 1.01 -0.78 3.11 3.38 -1.27 -3.29 115.31 118.24 2kw6 h LEU 101 Ca 0.23 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2kw6 h LEU 101 Cb -0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 2kw6 h LEU 101 CO -0.06 1.26 0.43 0.58 0.09 0.00 0.00 178.44 180.75 2kw6 h VAL 102 N 0.78 1.23 -0.82 1.22 2.07 -1.22 -2.77 116.25 116.74 2kw6 h VAL 102 Ca 0.06 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.03 2kw6 h VAL 102 Cb 0.97 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 2kw6 h VAL 102 CO 0.09 0.26 0.54 0.03 0.02 0.00 0.00 177.57 178.51 2kw6 h ARG 103 N 1.07 1.05 -0.34 1.57 3.08 -1.48 -1.62 114.38 117.70 2kw6 h ARG 103 Ca 0.27 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.12 2kw6 h ARG 103 Cb 0.03 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 2kw6 h ARG 103 CO -0.04 0.69 -0.36 0.93 -1.07 0.00 0.00 179.97 180.12 2kw6 h GLU 104 N 1.08 0.78 0.00 0.04 4.39 -1.59 0.05 114.58 119.33 2kw6 h GLU 104 Ca 0.31 -0.39 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 2kw6 h GLU 104 Cb -0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2kw6 h GLU 104 CO -0.07 1.02 -0.37 0.00 -1.16 0.00 0.00 179.01 178.42 2kw6 h LEU 106 N 0.00 0.65 -1.18 0.00 3.38 -1.02 -3.01 115.31 114.13 2kw6 h LEU 106 Ca -0.00 -0.92 0.01 0.00 0.09 0.00 0.00 57.88 57.05 2kw6 h LEU 106 Cb 0.73 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2kw6 h LEU 106 CO 0.05 1.67 0.56 0.00 0.09 0.00 0.00 178.44 180.81 2kw6 h ALA 107 N 0.10 1.40 0.11 1.53 0.00 -0.94 0.21 119.26 121.68 2kw6 h ALA 107 Ca -0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2kw6 h ALA 107 Cb 2.00 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2kw6 h ALA 107 CO 0.19 0.56 -0.05 1.49 0.00 0.00 0.00 179.25 181.44 2kw6 h GLU 108 N 1.14 -0.15 0.00 0.00 4.81 -1.59 -2.96 114.58 115.84 2kw6 h GLU 108 Ca 0.31 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2kw6 h GLU 108 Cb -0.13 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 2kw6 h GLU 108 CO -0.07 0.16 -0.02 1.15 -0.73 0.00 0.00 179.01 179.50 2kw6 h THR 109 N -0.46 0.13 -0.05 0.32 2.02 -1.33 -2.82 112.91 110.71 2kw6 h THR 109 Ca -0.02 -0.25 -0.16 0.00 0.77 0.00 0.00 66.41 66.76 2kw6 h THR 109 Cb 0.38 1.22 0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2kw6 h THR 109 CO 0.03 0.02 -0.58 -0.08 0.37 0.00 0.00 175.52 175.28 2kw6 h GLU 110 N 0.00 0.48 -0.95 6.66 4.81 -0.49 -1.21 114.58 123.88 2kw6 h GLU 110 Ca -0.00 -0.45 0.03 0.00 -0.13 0.00 0.00 59.36 58.81 2kw6 h GLU 110 Cb 0.21 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 2kw6 h GLU 110 CO 0.00 1.09 0.63 0.00 -0.73 0.00 0.00 179.01 180.00 2kw6 h ARG 111 N 0.03 1.19 0.00 1.92 2.47 -1.33 -3.38 114.38 115.28 2kw6 h ARG 111 Ca -0.06 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 2kw6 h ARG 111 Cb 1.25 -0.27 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 2kw6 h ARG 111 CO 0.12 0.79 0.00 -1.71 0.56 0.00 0.00 179.97 179.72 2kw6 n ASN 112 N -4.43 0.00 -4.06 7.04 2.85 -1.19 -5.02 115.26 110.45 2kw6 n ASN 112 Ca 0.12 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.18 2kw6 n ASN 112 Cb 0.08 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.08 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 -0.86 -2.83 -2.39 5.20 0.00 -0.46 -4.83 120.51 114.34 2kw6 n ALA 113 Ca 0.00 0.24 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 2kw6 n ALA 113 Cb 0.00 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 1.11 3.05 0.00 0.00 0.00 -1.26 -4.90 116.66 114.66 2kw6 n ARG 114 Ca 0.13 -3.11 0.04 0.00 -0.00 0.00 0.00 57.85 54.91 2kw6 n ARG 114 Cb 0.31 -3.47 0.04 0.00 0.00 0.00 0.00 32.46 29.34 2kw6 n ARG 114 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08