#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw6 s GLY 52 N 0.00 0.20 -1.30 -5.12 0.00 -1.26 -5.09 107.32 94.75 2kw6 s GLY 52 Ca 0.00 3.39 -0.18 0.00 0.00 0.00 0.00 44.72 47.93 2kw6 s GLY 52 CO 0.00 2.79 1.80 1.42 0.00 0.00 0.00 173.10 179.11 2kw6 n HIS 53 N 3.73 4.39 -2.35 1.90 -0.00 -1.26 -4.97 115.22 116.66 2kw6 n HIS 53 Ca -0.16 -2.74 -0.42 0.00 -0.00 0.00 0.00 57.72 54.40 2kw6 n HIS 53 Cb 0.56 -2.62 -0.03 0.00 -0.00 0.00 0.00 29.99 27.90 2kw6 n HIS 53 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kw6 s HIS 54 N 4.65 3.39 -0.12 4.41 0.00 -1.26 -5.04 115.29 121.32 2kw6 s HIS 54 Ca 0.54 1.21 -0.10 0.00 -3.00 0.00 0.00 55.06 53.72 2kw6 s HIS 54 Cb 0.05 -3.49 0.04 0.00 -4.00 0.00 0.00 32.58 25.17 2kw6 s HIS 54 CO 0.07 -1.56 0.32 -3.38 -1.00 0.00 0.00 174.74 169.18 2kw6 s HIS 55 N 1.04 -0.38 -0.06 0.38 0.00 -1.26 -5.16 115.29 109.85 2kw6 s HIS 55 Ca 0.60 0.89 0.04 0.00 -3.00 0.00 0.00 55.06 53.60 2kw6 s HIS 55 Cb -0.31 0.13 -0.02 0.00 -4.00 0.00 0.00 32.58 28.37 2kw6 s HIS 55 CO 0.30 -0.20 -0.20 -1.58 -1.00 0.00 0.00 174.74 172.06 2kw6 s HIS 56 N 0.47 2.57 0.03 0.38 5.04 -1.26 -5.10 115.29 117.42 2kw6 s HIS 56 Ca -0.02 -0.49 -0.30 0.00 -1.54 0.00 0.00 55.06 52.71 2kw6 s HIS 56 Cb -0.04 -1.64 -0.08 0.00 0.04 0.00 0.00 32.58 30.86 2kw6 s HIS 56 CO -0.02 -0.06 1.80 -1.58 -2.34 0.00 0.00 174.74 172.53 2kw6 s HIS 57 N -0.32 1.81 0.15 3.88 5.65 -1.26 -4.96 115.29 120.24 2kw6 s HIS 57 Ca 0.02 -0.07 -0.31 0.00 0.25 0.00 0.00 55.06 54.95 2kw6 s HIS 57 Cb -0.13 -4.09 -0.10 0.00 -1.18 0.00 0.00 32.58 27.09 2kw6 s HIS 57 CO 0.02 -4.66 1.62 -3.38 -0.65 0.00 0.00 174.74 167.70 2kw6 s HIS 58 N 3.76 2.86 -0.38 3.88 0.00 -1.26 -5.00 115.29 119.14 2kw6 s HIS 58 Ca 0.80 0.49 -0.02 0.00 -3.00 0.00 0.00 55.06 53.33 2kw6 s HIS 58 Cb -0.40 -3.98 0.10 0.00 -4.00 0.00 0.00 32.58 24.30 2kw6 s HIS 58 CO 0.36 -3.71 0.15 0.45 -1.00 0.00 0.00 174.74 170.99 2kw6 s SER 59 N 1.51 5.15 0.00 7.38 0.15 -1.26 -4.87 113.70 121.75 2kw6 s SER 59 Ca 0.72 -1.92 0.19 0.00 0.70 0.00 0.00 55.95 55.65 2kw6 s SER 59 Cb -0.44 -1.79 0.04 0.00 -1.71 0.00 0.00 66.02 62.13 2kw6 s SER 59 CO 0.32 -0.48 1.01 1.41 1.20 0.00 0.00 173.24 176.70 2kw6 n HIS 60 N 4.56 0.00 -3.05 3.44 -0.00 -1.26 -4.93 115.22 113.98 2kw6 n HIS 60 Ca -0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.27 2kw6 n HIS 60 Cb 0.42 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.35 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 -2.00 6.44 0.15 0.41 0.01 -1.26 -4.98 113.70 112.47 2kw6 s SER 61 Ca 0.18 0.10 -0.12 0.00 1.31 0.00 0.00 55.95 57.42 2kw6 s SER 61 Cb 0.16 -2.35 0.01 0.00 0.21 0.00 0.00 66.02 64.05 2kw6 s SER 61 CO 0.41 -0.69 1.59 0.11 0.41 0.00 0.00 173.24 175.06 2kw6 h LYS 62 N 8.59 0.89 -0.19 12.44 6.56 -1.97 -0.30 116.57 142.59 2kw6 h LYS 62 Ca -0.26 -0.30 -0.19 0.00 -1.06 0.00 0.00 60.65 58.84 2kw6 h LYS 62 Cb 1.10 -0.07 0.01 0.00 -0.57 0.00 0.00 32.23 32.70 2kw6 h LYS 62 CO 0.88 0.94 -0.63 1.88 -2.06 0.00 0.00 179.45 180.46 2kw6 h TYR 63 N 0.75 1.00 -0.06 -1.35 -1.99 -1.93 0.01 116.97 113.40 2kw6 h TYR 63 Ca 0.13 -0.41 -0.13 0.00 2.00 0.00 0.00 58.73 60.33 2kw6 h TYR 63 Cb 0.57 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 2kw6 h TYR 63 CO 0.04 1.23 -0.53 0.00 -0.00 0.00 0.00 178.16 178.90 2kw6 h ALA 64 N 0.58 0.99 -0.05 3.88 0.00 -1.99 -2.13 119.26 120.53 2kw6 h ALA 64 Ca -0.03 -0.49 -0.17 0.00 0.00 0.00 0.00 54.91 54.22 2kw6 h ALA 64 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2kw6 h ALA 64 CO 0.13 0.68 -0.71 1.49 0.00 0.00 0.00 179.25 180.84 2kw6 h GLU 65 N 0.14 0.28 -0.68 0.00 4.81 -0.98 -1.54 114.58 116.61 2kw6 h GLU 65 Ca 0.00 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 2kw6 h GLU 65 Cb 0.99 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 2kw6 h GLU 65 CO 0.08 0.88 0.29 1.25 -0.73 0.00 0.00 179.01 180.77 2kw6 h LEU 66 N 0.19 0.93 -0.12 1.64 5.85 -0.80 0.50 115.31 123.50 2kw6 h LEU 66 Ca -0.02 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2kw6 h LEU 66 Cb 1.26 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 2kw6 h LEU 66 CO 0.11 0.84 0.06 0.25 -0.34 0.00 0.00 178.44 179.36 2kw6 h LEU 67 N 0.96 0.16 -1.09 2.25 5.85 -1.31 -2.68 115.31 119.46 2kw6 h LEU 67 Ca 0.23 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 2kw6 h LEU 67 Cb 0.19 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2kw6 h LEU 67 CO -0.02 0.25 -0.16 0.00 -0.34 0.00 0.00 178.44 178.17 2kw6 h ALA 68 N 0.92 1.24 0.00 1.25 0.00 -0.82 -1.93 119.26 119.92 2kw6 h ALA 68 Ca 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2kw6 h ALA 68 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kw6 h ALA 68 CO -0.00 0.49 -0.03 0.82 0.00 0.00 0.00 179.25 180.53 2kw6 h ILE 69 N 0.42 1.63 -0.68 0.00 2.04 -0.97 -3.13 117.51 116.82 2kw6 h ILE 69 Ca 0.07 -1.90 -0.06 0.00 1.00 0.00 0.00 64.86 63.97 2kw6 h ILE 69 Cb 0.52 2.92 -0.03 0.00 -0.74 0.00 0.00 36.82 39.49 2kw6 h ILE 69 CO 0.03 0.50 0.18 0.40 0.00 0.00 0.00 178.15 179.26 2kw6 h ILE 70 N -0.77 1.25 0.00 -0.67 2.04 -1.37 -1.11 117.51 116.88 2kw6 h ILE 70 Ca -0.00 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 2kw6 h ILE 70 Cb 0.83 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2kw6 h ILE 70 CO 0.01 0.35 -0.15 1.05 0.00 0.00 0.00 178.15 179.41 2kw6 h GLU 71 N 1.02 0.00 0.04 2.37 4.11 -1.50 -2.88 114.58 117.75 2kw6 h GLU 71 Ca 0.22 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.65 2kw6 h GLU 71 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2kw6 h GLU 71 CO -0.00 0.15 -0.02 1.49 0.07 0.00 0.00 179.01 180.70 2kw6 h GLU 72 N 0.00 -0.05 -1.00 1.06 4.81 -1.19 -3.34 114.58 114.87 2kw6 h GLU 72 Ca -0.00 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.43 2kw6 h GLU 72 Cb 0.45 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.74 2kw6 h GLU 72 CO 0.02 0.53 0.61 -0.07 -0.73 0.00 0.00 179.01 179.37 2kw6 h LEU 73 N -0.70 0.76 -1.39 1.64 3.38 -1.04 -0.35 115.31 117.60 2kw6 h LEU 73 Ca -0.01 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2kw6 h LEU 73 Cb 0.61 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2kw6 h LEU 73 CO 0.01 0.25 -0.29 1.23 0.09 0.00 0.00 178.44 179.73 2kw6 h GLY 74 N 0.73 0.00 1.44 0.83 0.00 -1.66 -2.16 103.07 102.25 2kw6 h GLY 74 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 2kw6 h GLY 74 CO -0.39 0.00 -0.40 0.28 0.00 0.00 0.00 176.54 176.02 2kw6 n LYS 75 N -3.83 0.26 0.05 4.80 4.76 -0.19 -3.60 118.16 120.41 2kw6 n LYS 75 Ca -0.01 0.12 0.12 0.00 -2.87 0.00 0.00 58.31 55.67 2kw6 n LYS 75 Cb 0.37 -1.71 0.19 0.00 -1.84 0.00 0.00 35.03 32.04 2kw6 n LYS 75 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2kw6 n GLU 76 N -2.12 0.23 -0.05 1.97 -0.58 -0.83 -4.30 120.64 114.96 2kw6 n GLU 76 Ca 0.04 0.06 -0.12 0.00 -0.42 0.00 0.00 57.16 56.72 2kw6 n GLU 76 Cb 0.43 -1.64 -0.07 0.00 -0.57 0.00 0.00 31.44 29.59 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 1.31 -0.33 -3.67 2.04 -1.57 -2.58 117.51 112.70 2kw6 h ILE 77 Ca 0.00 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 64.86 2kw6 h ILE 77 Cb 0.69 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.45 2kw6 h ILE 77 CO 0.00 0.31 -0.00 0.03 0.00 0.00 0.00 178.15 178.48 2kw6 h ARG 78 N -0.07 0.09 -0.29 2.37 3.08 -1.77 0.27 114.38 118.07 2kw6 h ARG 78 Ca 0.03 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 2kw6 h ARG 78 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2kw6 h ARG 78 CO 0.02 0.06 -0.32 -1.00 -1.07 0.00 0.00 179.97 177.66 2kw6 h PRO 79 N 0.09 0.61 -0.28 0.04 0.13 -1.82 -3.00 132.00 127.77 2kw6 h PRO 79 Ca 0.16 -0.27 0.05 0.00 -0.87 0.00 0.00 66.00 65.07 2kw6 h PRO 79 Cb 0.22 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.29 2kw6 h PRO 79 CO -0.27 0.85 -0.00 1.15 -0.23 0.00 0.00 178.00 179.49 2kw6 h THR 80 N 0.52 0.80 -0.27 1.56 2.02 -0.87 -0.72 112.91 115.95 2kw6 h THR 80 Ca 0.06 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2kw6 h THR 80 Cb 0.80 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2kw6 h THR 80 CO 0.07 0.01 0.13 0.22 0.37 0.00 0.00 175.52 176.32 2kw6 h TYR 81 N 0.08 0.36 -0.22 3.16 3.20 -1.07 -2.02 116.97 120.45 2kw6 h TYR 81 Ca 0.13 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2kw6 h TYR 81 Cb 0.17 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2kw6 h TYR 81 CO -0.21 0.27 0.00 0.00 -1.64 0.00 0.00 178.16 176.58 2kw6 n ALA 82 N -2.49 2.69 -1.16 1.82 0.00 -0.48 -4.89 120.51 116.00 2kw6 n ALA 82 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2kw6 n ALA 82 Cb 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.59 0.74 3.50 0.00 0.00 -0.76 -5.02 105.19 104.23 2kw6 n GLY 83 Ca 0.09 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 2kw6 n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kw6 s SER 84 N -2.71 6.32 0.42 1.61 0.15 -0.40 -4.91 113.70 114.17 2kw6 s SER 84 Ca 0.00 -0.46 0.18 0.00 0.70 0.00 0.00 55.95 56.37 2kw6 s SER 84 Cb 0.00 -2.37 0.92 0.00 -1.71 0.00 0.00 66.02 62.86 2kw6 s SER 84 CO 0.00 -1.01 1.88 0.50 1.20 0.00 0.00 173.24 175.81 2kw6 h LYS 85 N 9.10 0.00 -0.35 5.44 3.64 -1.90 -2.74 116.57 129.75 2kw6 h LYS 85 Ca -0.26 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.98 2kw6 h LYS 85 Cb 1.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2kw6 h LYS 85 CO 1.00 0.30 -0.34 0.66 -2.27 0.00 0.00 179.45 178.80 2kw6 h SER 86 N 0.00 0.91 0.10 4.20 4.64 -1.98 -2.53 113.55 118.89 2kw6 h SER 86 Ca -0.00 -0.47 -0.22 0.00 -0.47 0.00 0.00 61.79 60.63 2kw6 h SER 86 Cb 0.61 -0.26 0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2kw6 h SER 86 CO 0.04 1.19 -0.84 0.00 -0.87 0.00 0.00 176.83 176.35 2kw6 h ALA 87 N 0.75 0.38 -0.07 5.18 0.00 -1.88 -3.11 119.26 120.51 2kw6 h ALA 87 Ca 0.06 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.20 2kw6 h ALA 87 Cb 0.93 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2kw6 h ALA 87 CO 0.09 0.74 -0.54 0.00 0.00 0.00 0.00 179.25 179.53 2kw6 h MET 88 N 0.38 0.19 -0.19 0.00 -0.00 -1.49 0.62 114.93 114.43 2kw6 h MET 88 Ca -0.06 -0.12 -0.08 0.00 -0.00 0.00 0.00 59.70 59.44 2kw6 h MET 88 Cb 1.46 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 33.06 2kw6 h MET 88 CO 0.16 0.69 -0.21 0.93 -0.00 0.00 0.00 176.91 178.47 2kw6 h GLU 89 N 0.15 0.34 0.07 -0.10 5.08 -1.50 -0.27 114.58 118.36 2kw6 h GLU 89 Ca 0.00 -0.11 -0.25 0.00 -1.00 0.00 0.00 59.36 58.00 2kw6 h GLU 89 Cb 1.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2kw6 h GLU 89 CO 0.08 0.54 -1.15 0.00 -1.00 0.00 0.00 179.01 177.48 2kw6 h ARG 90 N 0.31 0.16 -0.12 2.33 3.08 -1.43 -1.22 114.38 117.49 2kw6 h ARG 90 Ca 0.05 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 2kw6 h ARG 90 Cb 0.55 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2kw6 h ARG 90 CO 0.04 1.12 0.06 1.25 -1.07 0.00 0.00 179.97 181.37 2kw6 h LEU 91 N 0.04 0.15 -0.34 3.04 5.85 -0.70 -1.66 115.31 121.69 2kw6 h LEU 91 Ca -0.09 -0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.37 2kw6 h LEU 91 Cb 1.89 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.88 2kw6 h LEU 91 CO 0.17 0.19 -0.47 0.50 -0.34 0.00 0.00 178.44 178.49 2kw6 h LYS 92 N 0.09 0.92 0.17 1.25 3.64 -1.13 -1.98 116.57 119.53 2kw6 h LYS 92 Ca 0.04 -0.53 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 2kw6 h LYS 92 Cb 0.08 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2kw6 h LYS 92 CO -0.01 1.18 -0.32 -0.09 -2.27 0.00 0.00 179.45 177.94 2kw6 h ARG 93 N 0.72 -0.55 0.00 1.90 9.65 -1.16 -2.28 114.38 122.67 2kw6 h ARG 93 Ca 0.04 0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.86 2kw6 h ARG 93 Cb 1.08 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.77 2kw6 h ARG 93 CO 0.11 -0.37 -0.46 0.78 2.80 0.00 0.00 179.97 182.83 2kw6 h GLY 94 N -0.57 0.00 0.91 2.80 0.00 -1.32 -0.48 103.07 104.41 2kw6 h GLY 94 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2kw6 h GLY 94 CO -0.16 0.00 0.09 -2.22 0.00 0.00 0.00 176.54 174.26 2kw6 h ILE 95 N 0.00 1.14 -0.69 2.60 2.04 -1.16 0.76 117.51 122.21 2kw6 h ILE 95 Ca -0.00 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 2kw6 h ILE 95 Cb 0.82 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2kw6 h ILE 95 CO 0.06 0.14 0.16 0.40 0.00 0.00 0.00 178.15 178.91 2kw6 h ILE 96 N 0.19 1.26 -0.20 -0.67 5.03 -1.19 -2.05 117.51 119.89 2kw6 h ILE 96 Ca 0.07 -0.99 -0.01 0.00 -0.12 0.00 0.00 64.86 63.82 2kw6 h ILE 96 Cb 0.14 0.57 -0.01 0.00 -3.03 0.00 0.00 36.82 34.49 2kw6 h ILE 96 CO -0.01 0.38 0.09 0.45 -0.68 0.00 0.00 178.15 178.38 2kw6 h HIS 97 N 1.05 0.28 -0.72 1.37 3.86 -0.93 -1.35 115.15 118.72 2kw6 h HIS 97 Ca 0.22 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.37 2kw6 h HIS 97 Cb 0.39 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 2kw6 h HIS 97 CO 0.03 0.30 0.30 0.00 0.86 0.00 0.00 177.93 179.41 2kw6 h ALA 98 N 0.96 1.18 -0.80 2.45 0.00 -0.82 -1.86 119.26 120.35 2kw6 h ALA 98 Ca 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2kw6 h ALA 98 Cb 0.12 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2kw6 h ALA 98 CO -0.01 0.60 0.41 -0.09 0.00 0.00 0.00 179.25 180.17 2kw6 h ARG 99 N 1.03 1.13 -0.57 0.00 2.43 -1.18 -1.42 114.38 115.81 2kw6 h ARG 99 Ca 0.24 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 2kw6 h ARG 99 Cb 0.18 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2kw6 h ARG 99 CO -0.02 0.85 0.07 0.78 -1.51 0.00 0.00 179.97 180.14 2kw6 h GLY 100 N 1.16 0.99 1.06 2.80 0.00 -0.47 -1.32 103.07 107.30 2kw6 h GLY 100 Ca 0.28 -0.64 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 2kw6 h GLY 100 CO -0.04 0.60 -0.30 1.41 0.00 0.00 0.00 176.54 178.20 2kw6 h LEU 101 N 0.87 0.91 -0.06 3.11 3.38 -1.08 -2.91 115.31 119.53 2kw6 h LEU 101 Ca 0.17 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2kw6 h LEU 101 Cb 0.41 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2kw6 h LEU 101 CO 0.01 1.17 0.04 0.58 0.09 0.00 0.00 178.44 180.33 2kw6 h VAL 102 N 0.67 1.02 -0.80 1.22 2.07 -1.04 -1.78 116.25 117.61 2kw6 h VAL 102 Ca 0.07 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.60 2kw6 h VAL 102 Cb 0.88 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 2kw6 h VAL 102 CO 0.08 0.02 0.48 0.03 0.02 0.00 0.00 177.57 178.20 2kw6 h ARG 103 N 0.07 0.85 0.00 1.57 3.08 -1.21 0.76 114.38 119.50 2kw6 h ARG 103 Ca 0.02 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2kw6 h ARG 103 Cb 0.00 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 2kw6 h ARG 103 CO -0.00 0.56 -0.12 1.05 -1.07 0.00 0.00 179.97 180.39 2kw6 h GLU 104 N 0.87 0.00 -0.00 0.04 4.11 -1.47 -1.29 114.58 116.84 2kw6 h GLU 104 Ca 0.35 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.59 2kw6 h GLU 104 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2kw6 h GLU 104 CO -0.18 0.11 -0.87 0.00 0.07 0.00 0.00 179.01 178.14 2kw6 h LEU 106 N 0.13 0.64 -1.24 0.00 3.38 -0.77 -1.31 115.31 116.15 2kw6 h LEU 106 Ca -0.05 -0.63 0.01 0.00 0.09 0.00 0.00 57.88 57.30 2kw6 h LEU 106 Cb 1.49 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 2kw6 h LEU 106 CO 0.14 1.17 0.52 0.00 0.09 0.00 0.00 178.44 180.35 2kw6 h ALA 107 N 0.49 1.45 -0.20 1.53 0.00 -1.31 0.12 119.26 121.33 2kw6 h ALA 107 Ca -0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2kw6 h ALA 107 Cb 1.15 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2kw6 h ALA 107 CO 0.11 0.51 -0.20 1.49 0.00 0.00 0.00 179.25 181.16 2kw6 h GLU 108 N 1.05 0.48 0.00 0.00 4.81 -1.28 -2.60 114.58 117.04 2kw6 h GLU 108 Ca 0.29 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2kw6 h GLU 108 Cb -0.12 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2kw6 h GLU 108 CO -0.06 0.83 -0.19 1.15 -0.73 0.00 0.00 179.01 180.01 2kw6 h THR 109 N 0.15 0.68 -0.11 0.32 2.02 -1.02 -0.60 112.91 114.36 2kw6 h THR 109 Ca 0.03 -0.79 -0.15 0.00 0.77 0.00 0.00 66.41 66.27 2kw6 h THR 109 Cb 0.74 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 2kw6 h THR 109 CO 0.05 0.18 -0.58 -0.08 0.37 0.00 0.00 175.52 175.46 2kw6 h GLU 110 N 0.00 0.36 0.01 6.66 4.81 -0.53 0.11 114.58 126.00 2kw6 h GLU 110 Ca -0.00 -0.24 -0.26 0.00 -0.13 0.00 0.00 59.36 58.73 2kw6 h GLU 110 Cb 0.48 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 2kw6 h GLU 110 CO 0.02 0.84 -1.40 0.00 -0.73 0.00 0.00 179.01 177.74 2kw6 h ARG 111 N 0.27 0.02 0.00 1.92 2.47 -1.10 -3.38 114.38 114.59 2kw6 h ARG 111 Ca -0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2kw6 h ARG 111 Cb 1.10 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 2kw6 h ARG 111 CO 0.10 0.76 -1.19 0.09 0.56 0.00 0.00 179.97 180.29 2kw6 n ASN 112 N -3.21 0.57 0.00 7.04 3.02 -0.26 -5.04 115.26 117.38 2kw6 n ASN 112 Ca -0.10 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 2kw6 n ASN 112 Cb 1.00 0.89 0.00 0.00 -0.61 0.00 0.00 39.78 41.07 2kw6 n ASN 112 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kw6 n ALA 113 N -2.01 0.00 -3.41 5.41 0.00 0.39 -5.04 120.51 115.84 2kw6 n ALA 113 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2kw6 n ALA 113 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 2kw6 n ALA 113 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2kw6 n ARG 114 N 0.00 0.38 0.00 0.00 1.85 -1.24 -4.33 116.66 113.32 2kw6 n ARG 114 Ca 0.00 -1.13 0.08 0.00 -1.00 0.00 0.00 57.85 55.80 2kw6 n ARG 114 Cb 0.00 1.20 0.07 0.00 -1.05 0.00 0.00 32.46 32.67 2kw6 n ARG 114 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05