#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 1.44 3.56 3.03 0.00 -1.26 -5.05 105.19 106.92 2kw6 n GLY 52 Ca 0.00 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.89 2.26 -0.73 1.61 0.09 -1.26 -4.93 115.29 110.44 2kw6 s HIS 53 Ca 0.00 -0.26 -0.26 0.00 -0.00 0.00 0.00 55.06 54.54 2kw6 s HIS 53 Cb 0.00 -4.48 -0.06 0.00 -0.00 0.00 0.00 32.58 28.04 2kw6 s HIS 53 CO 0.00 -1.93 2.06 -3.38 -0.00 0.00 0.00 174.74 171.49 2kw6 s HIS 54 N 6.65 1.54 -0.95 1.40 0.00 -1.26 -4.93 115.29 117.75 2kw6 s HIS 54 Ca 0.52 1.04 -0.22 0.00 -3.00 0.00 0.00 55.06 53.40 2kw6 s HIS 54 Cb -0.03 -3.89 0.07 0.00 -4.00 0.00 0.00 32.58 24.72 2kw6 s HIS 54 CO -0.03 -2.03 1.32 -1.01 -1.00 0.00 0.00 174.74 172.00 2kw6 s HIS 55 N 10.81 2.67 0.05 0.38 0.09 -1.26 -5.00 115.29 123.03 2kw6 s HIS 55 Ca 0.77 -0.90 -0.27 0.00 -0.00 0.00 0.00 55.06 54.66 2kw6 s HIS 55 Cb -0.11 -4.56 -0.05 0.00 -0.00 0.00 0.00 32.58 27.86 2kw6 s HIS 55 CO 0.12 -1.82 0.85 -3.38 -0.00 0.00 0.00 174.74 170.51 2kw6 s HIS 56 N 4.38 3.74 -0.10 1.40 0.00 -1.26 -5.07 115.29 118.38 2kw6 s HIS 56 Ca 0.40 1.59 0.01 0.00 -3.00 0.00 0.00 55.06 54.06 2kw6 s HIS 56 Cb -0.03 -2.93 -0.02 0.00 -4.00 0.00 0.00 32.58 25.60 2kw6 s HIS 56 CO -0.06 0.20 -0.12 -1.01 -1.00 0.00 0.00 174.74 172.74 2kw6 s HIS 57 N 0.16 2.80 0.13 0.38 0.09 -1.26 -5.12 115.29 112.47 2kw6 s HIS 57 Ca 0.43 -0.38 -0.19 0.00 -0.00 0.00 0.00 55.06 54.92 2kw6 s HIS 57 Cb -0.21 -1.76 0.05 0.00 -0.00 0.00 0.00 32.58 30.66 2kw6 s HIS 57 CO 0.25 -0.00 0.47 -3.38 -0.00 0.00 0.00 174.74 172.08 2kw6 s HIS 58 N -0.15 -0.33 -0.28 1.40 0.00 -1.26 -5.16 115.29 109.51 2kw6 s HIS 58 Ca -0.00 0.07 0.00 0.00 -3.00 0.00 0.00 55.06 52.13 2kw6 s HIS 58 Cb -0.13 0.36 0.17 0.00 -4.00 0.00 0.00 32.58 28.97 2kw6 s HIS 58 CO 0.03 -0.74 0.50 0.45 -1.00 0.00 0.00 174.74 173.98 2kw6 s SER 59 N -2.72 -0.64 -0.83 7.38 0.15 -1.26 -5.11 113.70 110.68 2kw6 s SER 59 Ca 0.02 0.34 -0.25 0.00 0.70 0.00 0.00 55.95 56.75 2kw6 s SER 59 Cb 0.01 1.65 -0.04 0.00 -1.71 0.00 0.00 66.02 65.93 2kw6 s SER 59 CO -0.12 -0.30 1.90 -2.28 1.20 0.00 0.00 173.24 173.64 2kw6 s HIS 60 N 2.71 1.80 0.68 3.44 2.46 -1.26 -4.98 115.29 120.14 2kw6 s HIS 60 Ca 0.15 0.61 -0.09 0.00 0.47 0.00 0.00 55.06 56.19 2kw6 s HIS 60 Cb -0.14 -4.09 0.03 0.00 -0.13 0.00 0.00 32.58 28.25 2kw6 s HIS 60 CO -0.22 -1.91 1.03 -1.54 -2.47 0.00 0.00 174.74 169.63 2kw6 s SER 61 N 7.88 5.29 0.39 9.88 1.04 -1.26 -4.95 113.70 131.97 2kw6 s SER 61 Ca 0.68 0.85 0.09 0.00 0.48 0.00 0.00 55.95 58.05 2kw6 s SER 61 Cb -0.08 -1.65 0.78 0.00 0.10 0.00 0.00 66.02 65.17 2kw6 s SER 61 CO 0.05 -1.35 1.92 0.07 0.98 0.00 0.00 173.24 174.91 2kw6 h LYS 62 N -0.53 0.27 -0.26 4.02 2.10 -1.99 -1.84 116.57 118.35 2kw6 h LYS 62 Ca -0.45 -0.06 -0.19 0.00 -2.00 0.00 0.00 60.65 57.95 2kw6 h LYS 62 Cb 1.27 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2kw6 h LYS 62 CO 0.62 0.38 -0.58 1.88 -2.00 0.00 0.00 179.45 179.75 2kw6 h TYR 63 N 0.26 1.04 -0.54 0.07 0.05 -1.97 0.18 116.97 116.06 2kw6 h TYR 63 Ca 0.05 -0.39 -0.07 0.00 0.05 0.00 0.00 58.73 58.38 2kw6 h TYR 63 Cb 0.34 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 2kw6 h TYR 63 CO 0.01 1.21 0.07 0.00 -1.05 0.00 0.00 178.16 178.39 2kw6 h ALA 64 N 0.71 1.10 -0.19 3.88 0.00 -1.89 -1.24 119.26 121.63 2kw6 h ALA 64 Ca 0.00 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.47 2kw6 h ALA 64 Cb 1.19 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.77 2kw6 h ALA 64 CO 0.13 0.58 -0.67 1.49 0.00 0.00 0.00 179.25 180.78 2kw6 h GLU 65 N 0.82 0.79 -0.18 0.00 4.81 -1.23 -2.94 114.58 116.66 2kw6 h GLU 65 Ca 0.17 -0.59 -0.05 0.00 -0.13 0.00 0.00 59.36 58.76 2kw6 h GLU 65 Cb 0.39 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 2kw6 h GLU 65 CO 0.01 1.21 -0.08 1.25 -0.73 0.00 0.00 179.01 180.68 2kw6 h LEU 66 N 0.53 0.38 -0.86 1.64 5.85 -0.47 0.08 115.31 122.46 2kw6 h LEU 66 Ca -0.03 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 2kw6 h LEU 66 Cb 1.29 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 2kw6 h LEU 66 CO 0.14 0.70 0.50 0.25 -0.34 0.00 0.00 178.44 179.69 2kw6 h LEU 67 N 0.07 1.04 -0.64 2.25 5.85 -1.36 -2.11 115.31 120.40 2kw6 h LEU 67 Ca 0.04 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2kw6 h LEU 67 Cb 0.55 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2kw6 h LEU 67 CO 0.02 0.82 0.28 0.00 -0.34 0.00 0.00 178.44 179.23 2kw6 h ALA 68 N 1.27 0.83 0.49 1.25 0.00 -1.28 -2.02 119.26 119.80 2kw6 h ALA 68 Ca 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2kw6 h ALA 68 Cb -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2kw6 h ALA 68 CO -0.05 0.42 -0.23 0.82 0.00 0.00 0.00 179.25 180.20 2kw6 h ILE 69 N 0.89 0.50 -0.34 0.00 2.04 -0.78 -2.82 117.51 117.00 2kw6 h ILE 69 Ca 0.22 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2kw6 h ILE 69 Cb 0.16 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2kw6 h ILE 69 CO -0.02 0.03 0.17 0.40 0.00 0.00 0.00 178.15 178.73 2kw6 h ILE 70 N -0.77 1.15 0.00 -0.67 2.04 -1.32 -0.30 117.51 117.65 2kw6 h ILE 70 Ca -0.07 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2kw6 h ILE 70 Cb 0.55 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2kw6 h ILE 70 CO 0.11 0.16 -0.07 1.05 0.00 0.00 0.00 178.15 179.40 2kw6 h GLU 71 N 0.41 0.00 0.13 2.37 4.11 -1.46 -2.45 114.58 117.69 2kw6 h GLU 71 Ca 0.12 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.37 2kw6 h GLU 71 Cb 0.09 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.36 2kw6 h GLU 71 CO -0.02 0.07 -0.75 1.49 0.07 0.00 0.00 179.01 179.87 2kw6 h GLU 72 N 0.00 0.28 -0.52 1.06 4.81 -1.03 -3.29 114.58 115.88 2kw6 h GLU 72 Ca -0.00 -0.48 0.15 0.00 -0.13 0.00 0.00 59.36 58.90 2kw6 h GLU 72 Cb 0.32 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2kw6 h GLU 72 CO 0.01 1.23 0.50 -0.07 -0.73 0.00 0.00 179.01 179.94 2kw6 h LEU 73 N -0.41 0.00 -0.17 1.64 3.38 -0.63 -1.10 115.31 118.02 2kw6 h LEU 73 Ca -0.13 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 2kw6 h LEU 73 Cb 1.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 2kw6 h LEU 73 CO 0.14 0.00 -0.57 1.23 0.09 0.00 0.00 178.44 179.34 2kw6 h GLY 74 N 0.00 0.00 0.72 0.83 0.00 -1.56 -3.20 103.07 99.85 2kw6 h GLY 74 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2kw6 h GLY 74 CO -0.00 0.00 -0.84 0.58 0.00 0.00 0.00 176.54 176.28 2kw6 n LYS 75 N -3.31 0.19 0.00 4.80 2.85 -0.45 -4.16 118.16 118.08 2kw6 n LYS 75 Ca 0.01 0.01 0.14 0.00 -1.05 0.00 0.00 58.31 57.42 2kw6 n LYS 75 Cb 0.73 -1.58 0.61 0.00 -0.65 0.00 0.00 35.03 34.14 2kw6 n LYS 75 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2kw6 n GLU 76 N -1.83 0.70 0.02 -1.58 -0.58 -0.98 -4.11 120.64 112.28 2kw6 n GLU 76 Ca 0.03 -0.24 -0.19 0.00 -0.42 0.00 0.00 57.16 56.34 2kw6 n GLU 76 Cb 0.40 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.68 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 0.58 1.30 0.04 -3.67 2.04 -1.72 -2.95 117.51 113.13 2kw6 h ILE 77 Ca 0.00 -2.12 0.02 0.00 1.00 0.00 0.00 64.86 63.76 2kw6 h ILE 77 Cb 0.36 2.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 2kw6 h ILE 77 CO 0.00 0.66 -0.19 0.03 0.00 0.00 0.00 178.15 178.64 2kw6 h ARG 78 N 0.35 -0.32 -0.70 2.37 3.08 -1.86 0.39 114.38 117.70 2kw6 h ARG 78 Ca -0.10 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 2kw6 h ARG 78 Cb 1.54 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.63 2kw6 h ARG 78 CO 0.18 -0.21 0.18 -1.00 -1.07 0.00 0.00 179.97 178.05 2kw6 h PRO 79 N -0.33 1.10 -0.51 0.04 0.13 -1.83 -0.77 132.00 129.83 2kw6 h PRO 79 Ca 0.05 -0.25 0.09 0.00 -0.87 0.00 0.00 66.00 65.01 2kw6 h PRO 79 Cb 0.39 -0.15 -0.07 0.00 0.13 0.00 0.00 31.00 31.29 2kw6 h PRO 79 CO -0.16 0.96 0.11 1.15 -0.23 0.00 0.00 178.00 179.83 2kw6 h THR 80 N 1.05 0.72 -0.12 1.56 2.02 -1.32 -0.89 112.91 115.94 2kw6 h THR 80 Ca 0.22 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 67.22 2kw6 h THR 80 Cb 0.34 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2kw6 h THR 80 CO -0.00 0.05 -0.37 0.22 0.37 0.00 0.00 175.52 175.78 2kw6 h TYR 81 N 0.25 0.28 0.00 3.16 3.20 -0.79 -2.76 116.97 120.31 2kw6 h TYR 81 Ca 0.26 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2kw6 h TYR 81 Cb 0.35 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2kw6 h TYR 81 CO -0.23 0.59 0.00 0.00 -1.64 0.00 0.00 178.16 176.89 2kw6 n ALA 82 N -2.48 2.49 -0.09 1.82 0.00 -0.31 -4.85 120.51 117.10 2kw6 n ALA 82 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2kw6 n ALA 82 Cb 0.45 -1.36 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 0.65 0.95 3.58 0.00 0.00 -0.99 -5.04 105.19 104.33 2kw6 n GLY 83 Ca 0.16 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.08 6.55 0.52 1.61 0.15 -0.43 -4.91 113.70 115.11 2kw6 s SER 84 Ca 0.00 0.28 0.31 0.00 0.70 0.00 0.00 55.95 57.23 2kw6 s SER 84 Cb 0.00 -2.43 1.07 0.00 -1.71 0.00 0.00 66.02 62.95 2kw6 s SER 84 CO 0.00 -0.90 1.88 0.50 1.20 0.00 0.00 173.24 175.92 2kw6 h LYS 85 N 8.74 0.00 -0.24 5.44 3.64 -1.89 -3.05 116.57 129.22 2kw6 h LYS 85 Ca -0.24 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.97 2kw6 h LYS 85 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2kw6 h LYS 85 CO 0.97 0.00 -0.50 0.77 -2.27 0.00 0.00 179.45 178.43 2kw6 h SER 86 N 0.00 0.84 -0.04 4.20 0.02 -1.96 -3.14 113.55 113.47 2kw6 h SER 86 Ca 0.00 -0.55 -0.17 0.00 -0.84 0.00 0.00 61.79 60.23 2kw6 h SER 86 Cb 0.65 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 2kw6 h SER 86 CO 0.00 1.24 -0.56 0.00 -1.14 0.00 0.00 176.83 176.37 2kw6 h ALA 87 N 0.63 0.63 -0.07 3.77 0.00 -1.89 -1.78 119.26 120.55 2kw6 h ALA 87 Ca 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 2kw6 h ALA 87 Cb 1.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2kw6 h ALA 87 CO 0.11 0.69 -0.38 0.00 0.00 0.00 0.00 179.25 179.67 2kw6 h MET 88 N 0.48 0.14 -0.01 0.00 -0.00 -1.63 0.12 114.93 114.03 2kw6 h MET 88 Ca 0.01 -0.06 -0.22 0.00 -0.00 0.00 0.00 59.70 59.43 2kw6 h MET 88 Cb 1.12 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.72 2kw6 h MET 88 CO 0.11 0.50 -0.91 0.93 -0.00 0.00 0.00 176.91 177.54 2kw6 h GLU 89 N 0.12 0.40 -0.79 -0.10 5.08 -1.47 -0.44 114.58 117.37 2kw6 h GLU 89 Ca 0.01 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 57.91 2kw6 h GLU 89 Cb 0.72 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 2kw6 h GLU 89 CO 0.05 1.08 0.35 0.00 -1.00 0.00 0.00 179.01 179.49 2kw6 h ARG 90 N 0.23 1.17 -0.10 2.33 2.47 -1.15 -1.83 114.38 117.49 2kw6 h ARG 90 Ca -0.07 -0.20 -0.02 0.00 -1.26 0.00 0.00 59.98 58.44 2kw6 h ARG 90 Cb 1.54 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 29.66 2kw6 h ARG 90 CO 0.16 0.93 -0.00 1.25 0.56 0.00 0.00 179.97 182.86 2kw6 h LEU 91 N 1.14 0.18 -0.10 3.04 5.85 -0.93 -2.77 115.31 121.72 2kw6 h LEU 91 Ca 0.27 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2kw6 h LEU 91 Cb 0.17 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 2kw6 h LEU 91 CO -0.03 0.46 -0.02 0.50 -0.34 0.00 0.00 178.44 179.01 2kw6 h LYS 92 N -0.10 0.20 -0.68 1.25 3.64 -1.06 -2.47 116.57 117.35 2kw6 h LYS 92 Ca 0.03 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2kw6 h LYS 92 Cb 0.36 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2kw6 h LYS 92 CO 0.01 0.50 0.28 -0.09 -2.27 0.00 0.00 179.45 177.87 2kw6 h ARG 93 N -0.12 1.00 -0.54 1.90 2.43 -1.42 -1.73 114.38 115.89 2kw6 h ARG 93 Ca 0.03 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 58.96 2kw6 h ARG 93 Cb 0.42 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2kw6 h ARG 93 CO 0.01 0.81 0.05 0.78 -1.51 0.00 0.00 179.97 180.12 2kw6 h GLY 94 N 1.06 0.99 0.99 2.80 0.00 -1.48 -1.03 103.07 106.40 2kw6 h GLY 94 Ca 0.23 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2kw6 h GLY 94 CO -0.02 0.64 0.21 -2.22 0.00 0.00 0.00 176.54 175.14 2kw6 h ILE 95 N 0.80 1.10 -0.60 2.60 2.04 -0.96 0.97 117.51 123.46 2kw6 h ILE 95 Ca 0.16 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 2kw6 h ILE 95 Cb 0.46 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2kw6 h ILE 95 CO 0.02 0.10 0.17 0.40 0.00 0.00 0.00 178.15 178.84 2kw6 h ILE 96 N 0.44 1.25 -0.67 -0.67 2.04 -1.30 -2.03 117.51 116.57 2kw6 h ILE 96 Ca 0.12 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 2kw6 h ILE 96 Cb -0.02 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 2kw6 h ILE 96 CO -0.02 0.32 0.37 -0.74 0.00 0.00 0.00 178.15 178.08 2kw6 h HIS 97 N 0.86 0.90 -0.50 1.37 2.76 -0.90 -2.48 115.15 117.15 2kw6 h HIS 97 Ca 0.19 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.28 2kw6 h HIS 97 Cb 0.31 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 2kw6 h HIS 97 CO 0.02 0.62 0.03 0.00 -1.30 0.00 0.00 177.93 177.30 2kw6 h ALA 98 N 1.48 0.68 -0.25 5.26 0.00 -0.52 -2.95 119.26 122.96 2kw6 h ALA 98 Ca 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2kw6 h ALA 98 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2kw6 h ALA 98 CO -0.04 0.46 0.07 0.00 0.00 0.00 0.00 179.25 179.74 2kw6 h ARG 99 N 0.74 0.36 -0.44 0.00 3.08 -0.94 -1.63 114.38 115.54 2kw6 h ARG 99 Ca 0.15 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2kw6 h ARG 99 Cb 0.48 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2kw6 h ARG 99 CO 0.02 0.32 0.25 0.78 -1.07 0.00 0.00 179.97 180.28 2kw6 h GLY 100 N 0.54 0.63 0.82 0.04 0.00 -1.29 -1.33 103.07 102.50 2kw6 h GLY 100 Ca 0.09 -0.26 -0.19 0.00 0.00 0.00 0.00 47.33 46.97 2kw6 h GLY 100 CO -0.01 0.25 -0.81 1.41 0.00 0.00 0.00 176.54 177.38 2kw6 h LEU 101 N 0.60 0.57 -0.45 3.11 3.38 -1.34 -3.28 115.31 117.90 2kw6 h LEU 101 Ca 0.16 -0.86 -0.16 0.00 0.09 0.00 0.00 57.88 57.11 2kw6 h LEU 101 Cb -0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2kw6 h LEU 101 CO -0.03 1.37 -0.49 0.58 0.09 0.00 0.00 178.44 179.95 2kw6 h VAL 102 N -0.15 1.29 0.00 1.22 2.07 -1.19 -0.84 116.25 118.65 2kw6 h VAL 102 Ca -0.13 -1.69 -0.06 0.00 0.82 0.00 0.00 66.70 65.64 2kw6 h VAL 102 Cb 1.57 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 2kw6 h VAL 102 CO 0.16 0.54 -0.29 0.08 0.02 0.00 0.00 177.57 178.08 2kw6 h ARG 103 N 0.58 0.00 0.03 1.57 0.11 -1.41 -1.02 114.38 114.25 2kw6 h ARG 103 Ca 0.03 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.87 2kw6 h ARG 103 Cb 1.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.14 2kw6 h ARG 103 CO 0.10 0.29 -1.00 1.49 0.10 0.00 0.00 179.97 180.94 2kw6 h GLU 104 N 0.00 0.33 -0.82 0.08 4.81 -1.53 -2.42 114.58 115.02 2kw6 h GLU 104 Ca -0.00 -0.40 0.03 0.00 -0.13 0.00 0.00 59.36 58.85 2kw6 h GLU 104 Cb 0.59 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 2kw6 h GLU 104 CO 0.04 1.10 0.54 0.00 -0.73 0.00 0.00 179.01 179.96 2kw6 h LEU 106 N 1.04 0.31 -1.23 0.00 3.38 -1.18 -1.33 115.31 116.31 2kw6 h LEU 106 Ca 0.32 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2kw6 h LEU 106 Cb -0.01 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2kw6 h LEU 106 CO -0.09 0.52 0.32 0.00 0.09 0.00 0.00 178.44 179.28 2kw6 h ALA 107 N 0.80 1.41 0.10 1.53 0.00 -0.93 0.13 119.26 122.30 2kw6 h ALA 107 Ca 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kw6 h ALA 107 Cb 0.35 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kw6 h ALA 107 CO 0.01 0.48 -0.05 0.93 0.00 0.00 0.00 179.25 180.62 2kw6 h GLU 108 N 0.86 -0.13 0.00 0.00 5.08 -1.16 -3.25 114.58 115.98 2kw6 h GLU 108 Ca 0.22 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2kw6 h GLU 108 Cb 0.05 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2kw6 h GLU 108 CO -0.03 0.38 -0.02 1.15 -1.00 0.00 0.00 179.01 179.48 2kw6 h THR 109 N -0.89 0.18 -0.51 1.13 2.02 -1.23 -1.56 112.91 112.06 2kw6 h THR 109 Ca -0.01 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.03 2kw6 h THR 109 Cb 0.56 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 2kw6 h THR 109 CO 0.02 0.02 0.30 -0.08 0.37 0.00 0.00 175.52 176.15 2kw6 h GLU 110 N 0.00 0.58 0.00 6.66 4.57 -0.76 0.23 114.58 125.86 2kw6 h GLU 110 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2kw6 h GLU 110 Cb 0.13 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 2kw6 h GLU 110 CO 0.00 0.39 -0.39 0.00 -1.18 0.00 0.00 179.01 177.83 2kw6 h ARG 111 N 0.60 0.00 0.00 1.92 3.08 -1.40 -3.37 114.38 115.21 2kw6 h ARG 111 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2kw6 h ARG 111 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2kw6 h ARG 111 CO -0.09 0.00 -1.03 -1.71 -1.07 0.00 0.00 179.97 176.07 2kw6 n ASN 112 N -2.59 0.97 -4.71 7.04 2.85 -0.67 -4.99 115.26 113.15 2kw6 n ASN 112 Ca 0.03 -0.57 -0.36 0.00 -0.11 0.00 0.00 54.58 53.57 2kw6 n ASN 112 Cb 0.49 1.23 -0.08 0.00 1.24 0.00 0.00 39.78 42.67 2kw6 n ASN 112 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kw6 s ALA 113 N -2.61 3.62 0.00 5.20 0.00 0.76 -4.90 121.76 123.83 2kw6 s ALA 113 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2kw6 s ALA 113 Cb 0.11 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.88 2kw6 s ALA 113 CO 0.61 0.01 0.00 -2.13 0.00 0.00 0.00 175.76 174.26 2kw6 n ARG 114 N 3.80 0.00 0.00 0.00 3.00 -1.26 -4.96 116.66 117.24 2kw6 n ARG 114 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 2kw6 n ARG 114 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 2kw6 n ARG 114 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50