#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kaw n ALA 32 N 0.00 -0.18 -0.06 1.69 0.00 -1.26 -4.75 120.51 115.95 3kaw n ALA 32 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 3kaw n ALA 32 Cb 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 19.45 17.38 3kaw n ALA 32 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3kaw h PRO 33 N 0.60 0.30 -0.36 0.00 0.13 -1.98 -0.08 132.00 130.60 3kaw h PRO 33 Ca -0.47 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 3kaw h PRO 33 Cb 1.37 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 3kaw h PRO 33 CO 0.51 0.30 0.12 0.93 -0.23 0.00 0.00 178.00 179.63 3kaw h GLU 34 N 0.22 0.51 -0.13 0.86 3.07 -1.93 -1.00 114.58 116.19 3kaw h GLU 34 Ca 0.07 -0.07 -0.23 0.00 -0.50 0.00 0.00 59.36 58.63 3kaw h GLU 34 Cb 0.09 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 27.92 3kaw h GLU 34 CO -0.01 0.45 -0.83 1.49 -1.40 0.00 0.00 179.01 178.71 3kaw h GLU 35 N 0.51 0.78 -0.07 2.33 4.57 -1.82 -0.68 114.58 120.20 3kaw h GLU 35 Ca 0.12 -0.67 -0.11 0.00 -1.18 0.00 0.00 59.36 57.53 3kaw h GLU 35 Cb 0.14 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3kaw h GLU 35 CO -0.01 1.27 -0.45 0.07 -1.18 0.00 0.00 179.01 178.71 3kaw h ARG 36 N 0.52 0.17 -0.09 1.92 0.11 -0.75 -1.87 114.38 114.39 3kaw h ARG 36 Ca -0.07 -0.09 -0.21 0.00 0.10 0.00 0.00 59.98 59.72 3kaw h ARG 36 Cb 1.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.54 3kaw h ARG 36 CO 0.17 0.59 -0.80 0.00 0.10 0.00 0.00 179.97 180.03 3kaw h ARG 38 N 0.38 0.95 -0.57 0.00 2.43 -0.94 -0.19 114.38 116.44 3kaw h ARG 38 Ca -0.05 -0.27 -0.08 0.00 -0.81 0.00 0.00 59.98 58.77 3kaw h ARG 38 Cb 1.41 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 3kaw h ARG 38 CO 0.15 0.93 0.03 -0.07 -1.51 0.00 0.00 179.97 179.50 3kaw h LEU 39 N 0.84 0.96 -1.07 3.80 3.38 -1.32 -1.18 115.31 120.71 3kaw h LEU 39 Ca 0.17 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3kaw h LEU 39 Cb 0.45 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3kaw h LEU 39 CO 0.02 1.01 -0.31 0.00 0.09 0.00 0.00 178.44 179.24 3kaw h ALA 40 N 0.98 1.22 -0.29 1.53 0.00 -1.25 -1.60 119.26 119.85 3kaw h ALA 40 Ca 0.17 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3kaw h ALA 40 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3kaw h ALA 40 CO 0.02 0.52 0.03 0.00 0.00 0.00 0.00 179.25 179.82 3kaw h ALA 41 N 1.45 0.38 -0.54 0.00 0.00 -0.56 -1.84 119.26 118.14 3kaw h ALA 41 Ca 0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3kaw h ALA 41 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3kaw h ALA 41 CO 0.05 0.09 0.13 1.96 0.00 0.00 0.00 179.25 181.48 3kaw h GLN 42 N 0.29 0.83 0.00 0.00 4.20 -0.93 -0.86 115.11 118.64 3kaw h GLN 42 Ca 0.08 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 3kaw h GLN 42 Cb 0.37 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3kaw h GLN 42 CO 0.01 0.75 -0.20 0.00 -0.67 0.00 0.00 178.83 178.72 3kaw h ALA 43 N 1.34 1.39 0.00 3.87 0.00 -1.15 -1.08 119.26 123.63 3kaw h ALA 43 Ca 0.18 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3kaw h ALA 43 Cb 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3kaw h ALA 43 CO -0.00 0.25 -0.53 0.00 0.00 0.00 0.00 179.25 178.97 3kaw h ILE 45 N 0.00 0.77 -0.50 0.00 2.04 -0.21 -1.61 117.51 118.00 3kaw h ILE 45 Ca -0.01 -1.02 0.03 0.00 1.00 0.00 0.00 64.86 64.87 3kaw h ILE 45 Cb 1.40 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.71 3kaw h ILE 45 CO 0.07 0.19 0.28 0.03 0.00 0.00 0.00 178.15 178.72 3kaw h ARG 46 N -0.86 0.53 -0.34 2.37 3.08 -1.45 0.24 114.38 117.94 3kaw h ARG 46 Ca -0.03 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 3kaw h ARG 46 Cb 0.51 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3kaw h ARG 46 CO 0.04 0.35 -0.12 0.00 -1.07 0.00 0.00 179.97 179.18 3kaw h ALA 47 N 1.24 1.16 0.05 0.04 0.00 -1.57 -0.74 119.26 119.45 3kaw h ALA 47 Ca 0.21 -0.28 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 3kaw h ALA 47 Cb 0.07 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kaw h ALA 47 CO -0.12 0.53 -1.05 0.00 0.00 0.00 0.00 179.25 178.61 3kaw h GLU 49 N 0.19 0.00 -0.04 0.00 5.08 -0.85 -2.36 114.58 116.59 3kaw h GLU 49 Ca -0.11 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.03 3kaw h GLU 49 Cb 1.72 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.97 3kaw h GLU 49 CO 0.18 0.67 -0.89 -0.09 -1.00 0.00 0.00 179.01 177.87 3kaw h ARG 50 N 0.00 0.52 -0.32 2.33 2.43 -1.17 -1.93 114.38 116.24 3kaw h ARG 50 Ca -0.01 -0.51 -0.14 0.00 -0.81 0.00 0.00 59.98 58.52 3kaw h ARG 50 Cb 1.32 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.99 3kaw h ARG 50 CO 0.09 1.14 -0.36 -0.92 -1.51 0.00 0.00 179.97 178.41 3kaw h TYR 51 N 0.32 0.86 0.00 2.20 3.20 -1.40 0.17 116.97 122.32 3kaw h TYR 51 Ca -0.08 -0.24 -0.06 0.00 3.14 0.00 0.00 58.73 61.49 3kaw h TYR 51 Cb 1.52 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 3kaw h TYR 51 CO 0.07 0.98 -0.31 1.25 -1.64 0.00 0.00 178.16 178.51 3kaw h LEU 52 N 0.60 0.00 0.00 2.82 6.46 -1.42 -2.65 115.31 121.12 3kaw h LEU 52 Ca 0.06 0.00 -0.36 0.00 -0.12 0.00 0.00 57.88 57.46 3kaw h LEU 52 Cb 0.90 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.76 3kaw h LEU 52 CO 0.08 0.31 -2.31 0.00 -0.62 0.00 0.00 178.44 175.89 3kaw n ALA 53 N -2.22 1.48 -0.14 1.25 0.00 -0.73 -4.77 120.51 115.39 3kaw n ALA 53 Ca 0.01 -1.24 -0.29 0.00 0.00 0.00 0.00 53.44 51.92 3kaw n ALA 53 Cb 0.54 -0.26 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 3kaw n ALA 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kaw n LEU 54 N -2.84 1.95 -4.66 0.00 4.32 0.59 -4.99 117.00 111.36 3kaw n LEU 54 Ca -0.32 0.35 -0.40 0.00 -0.02 0.00 0.00 56.01 55.61 3kaw n LEU 54 Cb 1.13 -0.83 0.02 0.00 -1.62 0.00 0.00 43.42 42.12 3kaw n LEU 54 CO 0.42 0.53 0.75 0.00 -1.22 0.00 0.00 177.39 177.87 3kaw n THR 56 N -0.66 1.12 0.67 0.00 -1.04 -1.26 -4.44 114.28 108.67 3kaw n THR 56 Ca 0.09 -0.55 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 3kaw n THR 56 Cb 0.41 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 3kaw n THR 56 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3kaw n GLU 57 N -2.85 0.63 -3.08 -2.82 4.71 -1.26 -4.80 120.64 111.17 3kaw n GLU 57 Ca -0.31 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.45 3kaw n GLU 57 Cb 0.94 -1.29 -0.05 0.00 -1.01 0.00 0.00 31.44 30.03 3kaw n GLU 57 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3kaw s SER 58 N -0.45 7.16 0.43 1.62 1.04 -1.26 -5.07 113.70 117.16 3kaw s SER 58 Ca 0.00 1.38 0.07 0.00 0.48 0.00 0.00 55.95 57.87 3kaw s SER 58 Cb 0.00 -2.43 0.01 0.00 0.10 0.00 0.00 66.02 63.70 3kaw s SER 58 CO 0.00 0.10 0.59 -0.94 0.98 0.00 0.00 173.24 173.97 3kaw s SER 59 N -0.39 5.65 0.16 7.02 1.04 -1.26 -4.92 113.70 120.98 3kaw s SER 59 Ca 0.35 -0.32 -0.20 0.00 0.48 0.00 0.00 55.95 56.26 3kaw s SER 59 Cb -0.20 -0.77 0.05 0.00 0.10 0.00 0.00 66.02 65.20 3kaw s SER 59 CO 0.21 -0.77 1.65 0.08 0.98 0.00 0.00 173.24 175.39 3kaw h ARG 60 N 0.58 -0.13 -0.55 4.02 -0.00 -1.99 -0.77 114.38 115.54 3kaw h ARG 60 Ca -0.41 0.01 0.01 0.00 -0.00 0.00 0.00 59.98 59.59 3kaw h ARG 60 Cb 1.28 0.03 -0.03 0.00 -0.00 0.00 0.00 29.97 31.25 3kaw h ARG 60 CO 0.47 -0.09 0.37 1.49 -0.00 0.00 0.00 179.97 182.21 3kaw h GLU 61 N -0.13 0.71 -0.25 0.08 4.57 -1.99 -1.65 114.58 115.91 3kaw h GLU 61 Ca 0.16 -0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 58.11 3kaw h GLU 61 Cb 0.37 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3kaw h GLU 61 CO -0.38 0.47 -0.59 1.96 -1.18 0.00 0.00 179.01 179.29 3kaw h GLN 62 N 0.73 0.82 -0.28 1.92 4.20 -1.65 -2.02 115.11 118.83 3kaw h GLN 62 Ca 0.21 -0.55 -0.11 0.00 0.06 0.00 0.00 58.65 58.26 3kaw h GLN 62 Cb -0.06 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3kaw h GLN 62 CO -0.05 1.17 -0.28 0.00 -0.67 0.00 0.00 178.83 179.00 3kaw h ARG 63 N 0.62 0.56 -0.47 1.46 3.08 -0.78 -0.24 114.38 118.61 3kaw h ARG 63 Ca 0.00 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.74 3kaw h ARG 63 Cb 1.19 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 3kaw h ARG 63 CO 0.13 0.79 -0.01 0.37 -1.07 0.00 0.00 179.97 180.17 3kaw h GLN 64 N 0.49 0.84 0.15 0.04 -0.00 -1.25 0.88 115.11 116.26 3kaw h GLN 64 Ca 0.06 -0.27 -0.01 0.00 -0.00 0.00 0.00 58.65 58.43 3kaw h GLN 64 Cb 0.74 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.15 3kaw h GLN 64 CO 0.06 0.90 -0.07 0.45 0.00 0.00 0.00 178.83 180.16 3kaw h HIS 65 N 0.70 -0.18 0.16 3.99 3.86 -1.13 -1.19 115.15 121.36 3kaw h HIS 65 Ca 0.13 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3kaw h HIS 65 Cb 0.52 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 3kaw h HIS 65 CO 0.04 0.04 -0.15 0.00 0.86 0.00 0.00 177.93 178.72 3kaw h ALA 66 N 0.45 -0.31 -0.70 2.45 0.00 -0.95 -0.59 119.26 119.60 3kaw h ALA 66 Ca -0.02 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3kaw h ALA 66 Cb 0.30 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3kaw h ALA 66 CO 0.03 -0.69 0.43 0.78 0.00 0.00 0.00 179.25 179.80 3kaw h GLY 67 N -0.34 1.01 1.31 0.00 0.00 -0.83 -1.43 103.07 102.79 3kaw h GLY 67 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 3kaw h GLY 67 CO -0.04 0.27 -0.19 -0.55 0.00 0.00 0.00 176.54 176.03 3kaw h ASP 68 N 0.84 0.80 0.40 0.19 3.32 -1.10 -2.33 116.42 118.54 3kaw h ASP 68 Ca 0.28 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3kaw h ASP 68 Cb 0.04 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3kaw h ASP 68 CO -0.12 0.98 -0.19 0.00 -1.72 0.00 0.00 179.24 178.20 3kaw h ALA 70 N -0.06 0.36 -0.49 0.00 0.00 -1.21 0.57 119.26 118.42 3kaw h ALA 70 Ca -0.05 0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3kaw h ALA 70 Cb 0.46 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3kaw h ALA 70 CO 0.09 -0.44 0.10 -0.44 0.00 0.00 0.00 179.25 178.56 3kaw h ASP 71 N -0.01 0.70 -0.38 0.00 3.32 -1.23 0.03 116.42 118.86 3kaw h ASP 71 Ca 0.27 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 3kaw h ASP 71 Cb 0.41 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3kaw h ASP 71 CO -0.58 0.71 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.37 3kaw h LEU 72 N 0.72 0.85 -1.82 1.55 3.38 0.13 -2.19 115.31 117.93 3kaw h LEU 72 Ca 0.16 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3kaw h LEU 72 Cb 0.30 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kaw h LEU 72 CO 0.00 1.08 -0.05 0.00 0.09 0.00 0.00 178.44 179.56 3kaw h ARG 74 N 0.00 0.50 -0.44 0.00 9.65 -0.41 -1.84 114.38 121.85 3kaw h ARG 74 Ca -0.00 -0.33 -0.01 0.00 -1.10 0.00 0.00 59.98 58.54 3kaw h ARG 74 Cb 0.40 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.01 3kaw h ARG 74 CO 0.01 0.94 0.21 1.25 2.80 0.00 0.00 179.97 185.18 3kaw h LEU 75 N 0.13 0.57 -0.74 3.80 5.85 -0.91 -2.10 115.31 121.91 3kaw h LEU 75 Ca 0.00 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 3kaw h LEU 75 Cb 0.93 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3kaw h LEU 75 CO 0.07 0.53 0.04 0.00 -0.34 0.00 0.00 178.44 178.74 3kaw h ALA 76 N 1.06 0.94 -0.57 1.25 0.00 -1.43 -2.50 119.26 118.02 3kaw h ALA 76 Ca 0.15 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3kaw h ALA 76 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3kaw h ALA 76 CO -0.02 0.64 0.21 0.00 0.00 0.00 0.00 179.25 180.08 3kaw h ALA 77 N 1.10 0.74 0.03 0.00 0.00 -1.15 -0.94 119.26 119.03 3kaw h ALA 77 Ca 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kaw h ALA 77 Cb 0.49 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kaw h ALA 77 CO 0.02 0.37 -0.01 -0.07 0.00 0.00 0.00 179.25 179.56 3kaw h LEU 78 N 0.79 -0.03 -1.00 0.00 3.38 -1.19 -0.80 115.31 116.46 3kaw h LEU 78 Ca 0.19 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 3kaw h LEU 78 Cb 0.23 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3kaw h LEU 78 CO -0.01 -0.01 -0.22 -0.07 0.09 0.00 0.00 178.44 178.22 3kaw h LEU 79 N -0.05 0.46 -0.35 1.67 3.38 -1.40 -2.63 115.31 116.40 3kaw h LEU 79 Ca -0.00 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3kaw h LEU 79 Cb 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3kaw h LEU 79 CO 0.01 0.69 -0.03 -0.07 0.09 0.00 0.00 178.44 179.12 3kaw h LEU 80 N 0.42 0.62 -1.57 1.67 4.07 -0.98 0.19 115.31 119.74 3kaw h LEU 80 Ca 0.07 -0.33 -0.03 0.00 0.08 0.00 0.00 57.88 57.66 3kaw h LEU 80 Cb 0.62 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 3kaw h LEU 80 CO 0.04 0.80 -0.09 -0.08 -1.08 0.00 0.00 178.44 178.04 3kaw h GLU 81 N 0.43 0.16 -0.12 1.13 4.81 -0.97 -1.00 114.58 119.04 3kaw h GLU 81 Ca 0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kaw h GLU 81 Cb 0.50 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3kaw h GLU 81 CO 0.02 0.27 0.00 0.54 -0.73 0.00 0.00 179.01 179.11 3kaw n ARG 82 N -4.34 1.70 -3.93 1.92 1.74 -1.01 -4.93 116.66 107.81 3kaw n ARG 82 Ca -0.01 -1.05 -0.30 0.00 -0.77 0.00 0.00 57.85 55.72 3kaw n ARG 82 Cb 0.22 -1.42 0.02 0.00 -1.02 0.00 0.00 32.46 30.26 3kaw n ARG 82 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kaw n ARG 83 N 0.27 -5.26 -2.03 5.56 3.00 -0.38 -4.90 116.66 112.92 3kaw n ARG 83 Ca 0.17 0.58 -0.40 0.00 -0.01 0.00 0.00 57.85 58.18 3kaw n ARG 83 Cb 0.34 -5.42 -0.01 0.00 0.00 0.00 0.00 32.46 27.36 3kaw n ARG 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3kaw s SER 84 N -3.38 6.52 0.25 0.55 0.15 -0.02 -4.90 113.70 112.85 3kaw s SER 84 Ca 0.62 2.76 0.23 0.00 0.70 0.00 0.00 55.95 60.26 3kaw s SER 84 Cb -0.32 -2.65 0.97 0.00 -1.71 0.00 0.00 66.02 62.31 3kaw s SER 84 CO 0.84 -0.72 1.70 -0.81 1.20 0.00 0.00 173.24 175.45 3kaw n PRO 85 N 0.49 0.19 -0.32 5.44 -0.04 -1.26 -1.78 135.00 137.71 3kaw n PRO 85 Ca 0.01 0.42 0.11 0.00 -0.04 0.00 0.00 63.50 64.01 3kaw n PRO 85 Cb 0.42 -1.86 0.29 0.00 -0.04 0.00 0.00 33.50 32.31 3kaw n PRO 85 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3kaw n TRP 86 N -2.21 0.85 0.26 0.54 8.01 -1.26 -4.49 117.44 119.14 3kaw n TRP 86 Ca 0.02 -0.43 -0.16 0.00 -1.31 0.00 0.00 57.50 55.63 3kaw n TRP 86 Cb 0.22 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.44 3kaw n TRP 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3kaw h ALA 87 N 4.30 -0.62 -0.77 6.99 0.00 -1.64 -2.84 119.26 124.68 3kaw h ALA 87 Ca 0.00 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.92 3kaw h ALA 87 Cb 0.93 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 3kaw h ALA 87 CO 0.00 -0.80 0.52 -1.00 0.00 0.00 0.00 179.25 177.97 3kaw h PRO 88 N -0.72 0.31 -0.56 0.00 0.13 -1.81 0.19 132.00 129.55 3kaw h PRO 88 Ca -0.06 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.96 3kaw h PRO 88 Cb 0.52 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 3kaw h PRO 88 CO 0.10 0.20 0.01 0.00 -0.23 0.00 0.00 178.00 178.09 3kaw h ALA 89 N 1.64 0.96 -0.05 -0.56 0.00 -1.82 -0.77 119.26 118.66 3kaw h ALA 89 Ca 0.38 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 3kaw h ALA 89 Cb 1.02 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3kaw h ALA 89 CO -0.10 0.63 -0.79 0.00 0.00 0.00 0.00 179.25 178.99 3kaw h ALA 90 N 1.12 0.54 -0.28 0.00 0.00 -0.62 -2.98 119.26 117.04 3kaw h ALA 90 Ca 0.16 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 3kaw h ALA 90 Cb 0.50 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3kaw h ALA 90 CO 0.02 0.79 -0.09 0.00 0.00 0.00 0.00 179.25 179.97 3kaw h GLU 92 N 0.43 -0.77 -0.51 0.00 4.57 -1.00 0.39 114.58 117.70 3kaw h GLU 92 Ca 0.08 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3kaw h GLU 92 Cb 0.42 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 3kaw h GLU 92 CO 0.02 -0.50 0.33 1.25 -1.18 0.00 0.00 179.01 178.93 3kaw h LEU 93 N -0.83 0.59 -0.59 1.64 5.85 -1.42 -1.33 115.31 119.22 3kaw h LEU 93 Ca -0.08 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 3kaw h LEU 93 Cb 0.62 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3kaw h LEU 93 CO 0.13 0.43 0.13 0.00 -0.34 0.00 0.00 178.44 178.80 3kaw h ALA 94 N 1.18 0.78 -0.41 1.25 0.00 -1.17 -2.97 119.26 117.91 3kaw h ALA 94 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3kaw h ALA 94 Cb -0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3kaw h ALA 94 CO -0.04 0.50 0.20 0.00 0.00 0.00 0.00 179.25 179.92 3kaw h ALA 95 N 1.03 0.53 -0.56 0.00 0.00 0.16 0.77 119.26 121.20 3kaw h ALA 95 Ca 0.19 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.08 3kaw h ALA 95 Cb 0.37 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 3kaw h ALA 95 CO 0.00 0.09 0.16 -0.09 0.00 0.00 0.00 179.25 179.41 3kaw h ARG 96 N 0.53 0.30 0.00 0.00 2.43 -1.13 -2.34 114.38 114.17 3kaw h ARG 96 Ca 0.14 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 3kaw h ARG 96 Cb 0.11 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3kaw h ARG 96 CO -0.02 0.20 -0.73 1.88 -1.51 0.00 0.00 179.97 179.79 3kaw h TYR 97 N 0.31 0.00 0.57 2.20 0.05 -1.38 -3.00 116.97 115.72 3kaw h TYR 97 Ca 0.28 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.03 3kaw h TYR 97 Cb 0.37 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.11 3kaw h TYR 97 CO -0.20 0.33 -0.27 0.00 -1.05 0.00 0.00 178.16 176.96 3kaw h ALA 98 N 1.67 -0.76 0.00 3.88 0.00 -0.33 0.44 119.26 124.16 3kaw h ALA 98 Ca -0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3kaw h ALA 98 Cb 1.29 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 3kaw h ALA 98 CO 0.04 -0.92 -0.16 1.37 0.00 0.00 0.00 179.25 179.58 3kaw h LEU 99 N -0.79 0.00 -1.05 0.00 8.10 -1.58 0.15 115.31 120.14 3kaw h LEU 99 Ca -0.08 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.89 3kaw h LEU 99 Cb 0.60 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.81 3kaw h LEU 99 CO 0.13 0.16 -0.11 0.00 -4.11 0.00 0.00 178.44 174.51 3kaw h ALA 100 N 1.84 0.99 0.03 0.17 0.00 -1.22 -2.61 119.26 118.46 3kaw h ALA 100 Ca -0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.51 3kaw h ALA 100 Cb 0.47 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3kaw h ALA 100 CO 0.02 0.13 -1.66 0.00 0.00 0.00 0.00 179.25 177.74 3kaw h ALA 102 N 0.80 1.10 0.09 0.00 0.00 -0.77 -0.05 119.26 120.43 3kaw h ALA 102 Ca -0.27 -0.41 -0.28 0.00 0.00 0.00 0.00 54.91 53.94 3kaw h ALA 102 Cb 1.99 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 3kaw h ALA 102 CO 0.09 0.56 -1.42 1.05 0.00 0.00 0.00 179.25 179.54 3kaw h GLU 103 N 0.00 0.19 0.01 0.00 4.11 -1.60 -3.31 114.58 113.98 3kaw h GLU 103 Ca -0.00 -0.32 -0.21 0.00 0.07 0.00 0.00 59.36 58.90 3kaw h GLU 103 Cb 0.88 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3kaw h GLU 103 CO 0.06 1.05 -0.92 0.00 0.07 0.00 0.00 179.01 179.27 3kaw h ARG 104 N 0.05 0.20 -3.42 1.06 -0.00 -1.54 -3.38 114.38 107.35 3kaw h ARG 104 Ca -0.19 -0.23 -0.70 0.00 -0.50 0.00 0.00 59.98 58.36 3kaw h ARG 104 Cb 1.97 0.07 -0.35 0.00 0.00 0.00 0.00 29.97 31.66 3kaw h ARG 104 CO 0.15 0.99 -0.22 0.00 0.00 0.00 0.00 179.97 180.89 3kaw s ASP 106 N 0.21 -0.85 0.00 0.00 2.15 -1.25 -3.78 116.67 113.15 3kaw s ASP 106 Ca 0.23 1.38 0.00 0.00 0.43 0.00 0.00 52.55 54.58 3kaw s ASP 106 Cb -0.13 1.82 0.00 0.00 -0.30 0.00 0.00 42.92 44.31 3kaw s ASP 106 CO -0.09 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 3kaw n GLY 107 N 5.18 3.22 0.13 2.66 0.00 -1.26 -4.97 105.19 110.15 3kaw n GLY 107 Ca -0.13 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 3kaw n GLY 107 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kaw h ASP 108 N 0.00 0.51 -2.54 1.61 3.32 -2.02 -3.34 116.42 113.96 3kaw h ASP 108 Ca 0.00 -0.48 -0.60 0.00 0.02 0.00 0.00 57.03 55.97 3kaw h ASP 108 Cb 0.00 -0.16 0.09 0.00 0.22 0.00 0.00 39.33 39.48 3kaw h ASP 108 CO 0.00 1.32 0.41 -0.62 -1.72 0.00 0.00 179.24 178.63 3kaw n GLU 109 N -3.65 1.68 -0.16 3.56 1.02 -1.26 -4.78 120.64 117.05 3kaw n GLU 109 Ca -0.08 0.60 0.08 0.00 -0.02 0.00 0.00 57.16 57.74 3kaw n GLU 109 Cb 0.94 -2.14 0.39 0.00 -0.02 0.00 0.00 31.44 30.62 3kaw n GLU 109 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3kaw h PRO 110 N 3.29 0.64 -0.24 3.49 0.13 -1.99 -0.41 132.00 136.90 3kaw h PRO 110 Ca -0.43 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 3kaw h PRO 110 Cb 1.31 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3kaw h PRO 110 CO 0.69 0.42 -0.31 1.25 -0.23 0.00 0.00 178.00 179.83 3kaw h LEU 111 N 0.66 0.68 -0.52 1.56 5.85 -1.96 -1.89 115.31 119.69 3kaw h LEU 111 Ca 0.31 -0.50 -0.10 0.00 0.84 0.00 0.00 57.88 58.43 3kaw h LEU 111 Cb 0.36 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3kaw h LEU 111 CO -0.10 1.05 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.64 3kaw h GLU 112 N 0.33 0.96 -0.08 1.25 5.08 -1.71 -2.71 114.58 117.70 3kaw h GLU 112 Ca 0.03 -0.35 -0.15 0.00 -1.00 0.00 0.00 59.36 57.89 3kaw h GLU 112 Cb 0.88 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3kaw h GLU 112 CO 0.07 1.01 -0.62 0.07 -1.00 0.00 0.00 179.01 178.55 3kaw h ARG 113 N 0.83 0.30 0.00 2.33 0.11 -1.14 -2.97 114.38 113.85 3kaw h ARG 113 Ca 0.14 -0.21 -0.06 0.00 0.10 0.00 0.00 59.98 59.94 3kaw h ARG 113 Cb 0.63 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.73 3kaw h ARG 113 CO 0.04 0.83 -0.30 0.93 0.10 0.00 0.00 179.97 181.57 3kaw h GLU 114 N 0.22 0.00 0.26 0.08 5.08 -1.24 -2.14 114.58 116.84 3kaw h GLU 114 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3kaw h GLU 114 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3kaw h GLU 114 CO 0.10 0.30 -0.12 0.00 -1.00 0.00 0.00 179.01 178.28 3kaw h ALA 116 N -0.15 1.04 -0.10 0.00 0.00 -1.43 -1.11 119.26 117.51 3kaw h ALA 116 Ca -0.04 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3kaw h ALA 116 Cb 0.49 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3kaw h ALA 116 CO 0.06 0.05 -0.07 0.78 0.00 0.00 0.00 179.25 180.06 3kaw h GLY 117 N 0.71 0.01 0.90 0.00 0.00 -1.36 0.12 103.07 103.45 3kaw h GLY 117 Ca 0.35 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.80 3kaw h GLY 117 CO -0.23 -0.09 0.50 0.00 0.00 0.00 0.00 176.54 176.72 3kaw h ALA 118 N 1.00 1.02 -0.24 3.60 0.00 -0.85 0.31 119.26 124.10 3kaw h ALA 118 Ca 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kaw h ALA 118 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3kaw h ALA 118 CO -0.15 0.33 0.15 0.00 0.00 0.00 0.00 179.25 179.58 3kaw h ARG 120 N 0.31 0.02 -0.96 0.00 2.47 -0.27 -1.86 114.38 114.10 3kaw h ARG 120 Ca 0.09 -0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.89 3kaw h ARG 120 Cb 0.00 -0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.25 3kaw h ARG 120 CO -0.02 0.02 0.62 0.00 0.56 0.00 0.00 179.97 181.15 3kaw h ARG 121 N 0.03 1.01 -0.29 0.04 -0.00 -0.71 -0.74 114.38 113.72 3kaw h ARG 121 Ca 0.05 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.98 59.36 3kaw h ARG 121 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 29.97 29.79 3kaw h ARG 121 CO -0.08 0.67 -0.25 0.35 0.00 0.00 0.00 179.97 180.65 3kaw h PHE 122 N 1.04 0.63 -0.25 3.04 3.57 -0.77 -1.89 116.94 122.30 3kaw h PHE 122 Ca 0.44 -0.14 -0.15 0.00 3.53 0.00 0.00 57.97 61.65 3kaw h PHE 122 Cb 0.31 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3kaw h PHE 122 CO -0.00 0.76 -0.46 0.28 -2.23 0.00 0.00 178.31 176.66 3kaw h VAL 123 N 0.49 1.30 -0.03 1.41 2.07 -0.42 -2.56 116.25 118.52 3kaw h VAL 123 Ca 0.07 -1.65 -0.12 0.00 0.82 0.00 0.00 66.70 65.82 3kaw h VAL 123 Cb 0.69 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3kaw h VAL 123 CO 0.05 0.52 -0.54 -0.33 0.02 0.00 0.00 177.57 177.30 3kaw h GLU 124 N 0.51 0.08 0.00 1.57 4.39 -0.99 -2.87 114.58 117.27 3kaw h GLU 124 Ca 0.03 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 3kaw h GLU 124 Cb 0.99 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 3kaw h GLU 124 CO 0.09 0.60 -0.26 0.00 -1.16 0.00 0.00 179.01 178.28 3kaw h ALA 125 N 1.39 0.92 0.00 3.43 0.00 -1.17 -3.15 119.26 120.69 3kaw h ALA 125 Ca -0.00 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 3kaw h ALA 125 Cb 0.97 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3kaw h ALA 125 CO 0.07 0.32 -0.73 0.00 0.00 0.00 0.00 179.25 178.92 3kaw h ARG 127 N 0.00 -0.05 0.00 0.00 3.08 -1.50 -1.03 114.38 114.88 3kaw h ARG 127 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3kaw h ARG 127 Cb 1.48 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.54 3kaw h ARG 127 CO 0.09 -0.04 -0.18 -1.00 -1.07 0.00 0.00 179.97 177.78 3kaw h PRO 128 N -0.06 0.00 -1.25 0.04 0.13 -1.78 -2.83 132.00 126.26 3kaw h PRO 128 Ca 0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.39 3kaw h PRO 128 Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 3kaw h PRO 128 CO -0.63 0.18 0.01 1.28 -0.23 0.00 0.00 178.00 178.61 3kaw n LEU 129 N -4.29 3.66 0.00 1.56 4.77 -0.39 -5.13 117.00 117.18 3kaw n LEU 129 Ca -0.02 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.19 3kaw n LEU 129 Cb 0.24 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 3kaw n LEU 129 CO 0.36 0.64 0.00 0.18 -1.33 0.00 0.00 177.39 177.24