#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kaw s ALA 32 N 0.00 2.66 0.49 1.69 0.00 -1.26 -4.76 121.76 120.58 3kaw s ALA 32 Ca 0.00 1.09 0.20 0.00 0.00 0.00 0.00 51.96 53.25 3kaw s ALA 32 Cb 0.00 -3.48 1.23 0.00 0.00 0.00 0.00 23.12 20.87 3kaw s ALA 32 CO 0.00 -1.17 1.99 -1.00 0.00 0.00 0.00 175.76 175.58 3kaw h PRO 33 N 1.17 0.18 -0.24 0.00 0.13 -1.99 -0.22 132.00 131.02 3kaw h PRO 33 Ca -0.50 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.53 3kaw h PRO 33 Cb 1.29 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3kaw h PRO 33 CO 0.56 0.12 -0.17 0.93 -0.23 0.00 0.00 178.00 179.20 3kaw h GLU 34 N 0.18 0.55 -0.54 0.86 3.07 -1.94 -2.33 114.58 114.43 3kaw h GLU 34 Ca 0.26 -0.27 -0.08 0.00 -0.50 0.00 0.00 59.36 58.77 3kaw h GLU 34 Cb 0.78 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.67 3kaw h GLU 34 CO -0.04 0.84 0.02 1.49 -1.40 0.00 0.00 179.01 179.92 3kaw h GLU 35 N 0.26 0.93 -0.61 2.33 4.57 -1.64 0.13 114.58 120.56 3kaw h GLU 35 Ca 0.05 -0.28 -0.05 0.00 -1.18 0.00 0.00 59.36 57.89 3kaw h GLU 35 Cb 0.71 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 3kaw h GLU 35 CO 0.05 0.94 0.16 0.07 -1.18 0.00 0.00 179.01 179.04 3kaw h ARG 36 N 0.81 0.94 -0.21 1.92 0.11 -1.09 0.49 114.38 117.35 3kaw h ARG 36 Ca 0.15 -0.19 -0.17 0.00 0.10 0.00 0.00 59.98 59.87 3kaw h ARG 36 Cb 0.50 -0.14 -0.00 0.00 1.11 0.00 0.00 29.97 31.44 3kaw h ARG 36 CO 0.02 0.82 -0.58 0.00 0.10 0.00 0.00 179.97 180.34 3kaw h ARG 38 N 0.50 0.86 -0.63 0.00 2.43 -0.35 -0.38 114.38 116.80 3kaw h ARG 38 Ca 0.00 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 3kaw h ARG 38 Cb 1.15 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 3kaw h ARG 38 CO 0.12 0.92 0.35 -0.07 -1.51 0.00 0.00 179.97 179.77 3kaw h LEU 39 N 0.70 0.79 -0.94 3.80 4.07 -0.85 -0.57 115.31 122.32 3kaw h LEU 39 Ca 0.13 -0.09 -0.07 0.00 0.08 0.00 0.00 57.88 57.92 3kaw h LEU 39 Cb 0.55 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 3kaw h LEU 39 CO 0.03 0.65 -0.03 0.00 -1.08 0.00 0.00 178.44 178.02 3kaw h ALA 40 N 1.17 1.12 -0.52 1.53 0.00 -1.08 -2.08 119.26 119.40 3kaw h ALA 40 Ca 0.22 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3kaw h ALA 40 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3kaw h ALA 40 CO -0.04 0.56 0.13 0.00 0.00 0.00 0.00 179.25 179.90 3kaw h ALA 41 N 1.28 0.68 -0.41 0.00 0.00 -0.57 -0.41 119.26 119.82 3kaw h ALA 41 Ca 0.13 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3kaw h ALA 41 Cb 0.46 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3kaw h ALA 41 CO 0.02 0.37 0.20 1.96 0.00 0.00 0.00 179.25 181.81 3kaw h GLN 42 N 0.72 0.40 -0.86 0.00 1.08 -0.68 -0.30 115.11 115.46 3kaw h GLN 42 Ca 0.16 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 3kaw h GLN 42 Cb 0.33 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 3kaw h GLN 42 CO 0.00 0.26 0.49 0.00 -0.95 0.00 0.00 178.83 178.63 3kaw h ALA 43 N 1.22 1.23 -0.50 3.87 0.00 -1.10 -1.41 119.26 122.58 3kaw h ALA 43 Ca 0.18 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3kaw h ALA 43 Cb 0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3kaw h ALA 43 CO -0.13 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.78 3kaw h ILE 45 N 0.76 1.13 0.72 0.00 2.04 -0.04 -0.69 117.51 121.42 3kaw h ILE 45 Ca 0.15 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 3kaw h ILE 45 Cb 0.41 1.10 0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3kaw h ILE 45 CO 0.01 0.12 -0.35 0.03 0.00 0.00 0.00 178.15 177.96 3kaw h ARG 46 N 0.12 -0.94 -0.84 2.37 -0.00 -1.21 -0.78 114.38 113.10 3kaw h ARG 46 Ca 0.05 0.06 0.10 0.00 -0.50 0.00 0.00 59.98 59.70 3kaw h ARG 46 Cb 0.12 0.21 -0.08 0.00 0.00 0.00 0.00 29.97 30.23 3kaw h ARG 46 CO -0.01 -0.62 0.48 0.00 0.00 0.00 0.00 179.97 179.82 3kaw h ALA 47 N -0.68 1.21 -0.17 0.04 0.00 -1.40 0.33 119.26 118.59 3kaw h ALA 47 Ca -0.10 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3kaw h ALA 47 Cb 0.75 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3kaw h ALA 47 CO 0.16 0.08 0.02 0.00 0.00 0.00 0.00 179.25 179.51 3kaw h GLU 49 N 0.07 0.37 -0.33 0.00 5.08 -0.67 -2.10 114.58 117.00 3kaw h GLU 49 Ca 0.05 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3kaw h GLU 49 Cb 0.32 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3kaw h GLU 49 CO 0.00 0.58 -0.07 0.00 -1.00 0.00 0.00 179.01 178.52 3kaw h ARG 50 N 0.33 0.63 0.49 2.33 3.08 -0.84 -2.07 114.38 118.32 3kaw h ARG 50 Ca 0.05 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 3kaw h ARG 50 Cb 0.58 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3kaw h ARG 50 CO 0.04 0.80 -0.51 -0.92 -1.07 0.00 0.00 179.97 178.31 3kaw h TYR 51 N 0.41 -1.40 0.00 3.04 3.20 -0.66 0.80 116.97 122.36 3kaw h TYR 51 Ca 0.08 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3kaw h TYR 51 Cb 0.56 0.55 0.00 0.00 1.54 0.00 0.00 36.73 39.38 3kaw h TYR 51 CO 0.05 -0.67 0.00 1.37 -1.64 0.00 0.00 178.16 177.27 3kaw h LEU 52 N -0.99 0.00 0.11 2.82 8.10 -1.45 -0.44 115.31 123.45 3kaw h LEU 52 Ca -0.06 0.00 -0.35 0.00 0.11 0.00 0.00 57.88 57.58 3kaw h LEU 52 Cb 0.87 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.07 3kaw h LEU 52 CO -0.07 0.00 -1.89 0.00 -4.11 0.00 0.00 178.44 172.37 3kaw n ALA 53 N -1.87 0.87 -0.08 0.17 0.00 -0.78 -4.68 120.51 114.14 3kaw n ALA 53 Ca 0.01 -0.57 -0.15 0.00 0.00 0.00 0.00 53.44 52.72 3kaw n ALA 53 Cb 0.21 -0.66 -0.14 0.00 0.00 0.00 0.00 19.45 18.87 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 -3.63 1.86 -4.64 0.00 7.99 0.27 -4.92 117.00 113.93 3kaw n LEU 54 Ca -0.32 0.03 -0.42 0.00 -0.01 0.00 0.00 56.01 55.28 3kaw n LEU 54 Cb 0.99 -0.44 -0.03 0.00 -0.11 0.00 0.00 43.42 43.83 3kaw n LEU 54 CO 0.39 0.74 1.69 0.00 -1.51 0.00 0.00 177.39 178.70 3kaw n THR 56 N 6.26 0.00 0.39 0.00 -1.04 -1.26 -3.87 114.28 114.76 3kaw n THR 56 Ca 0.23 -0.14 0.05 0.00 -2.04 0.00 0.00 64.05 62.15 3kaw n THR 56 Cb 0.42 0.19 0.04 0.00 -1.82 0.00 0.00 70.33 69.15 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 -0.49 0.47 -1.28 -2.82 1.02 -1.26 -5.03 120.64 111.24 3kaw n GLU 57 Ca 0.17 -1.02 -0.33 0.00 -0.02 0.00 0.00 57.16 55.95 3kaw n GLU 57 Cb 0.30 -1.17 0.11 0.00 -0.02 0.00 0.00 31.44 30.66 3kaw n GLU 57 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kaw s SER 58 N -0.83 4.00 0.51 1.62 1.04 -1.25 -5.04 113.70 113.74 3kaw s SER 58 Ca 0.11 2.26 0.07 0.00 0.48 0.00 0.00 55.95 58.87 3kaw s SER 58 Cb 0.08 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.65 3kaw s SER 58 CO 0.13 -2.39 0.52 -0.94 0.98 0.00 0.00 173.24 171.54 3kaw s SER 59 N -2.30 4.96 0.13 7.02 1.04 -1.26 -4.95 113.70 118.33 3kaw s SER 59 Ca 0.71 -0.93 -0.19 0.00 0.48 0.00 0.00 55.95 56.02 3kaw s SER 59 Cb -0.26 0.03 -0.06 0.00 0.10 0.00 0.00 66.02 65.82 3kaw s SER 59 CO 0.49 -1.02 1.78 -0.09 0.98 0.00 0.00 173.24 175.38 3kaw h ARG 60 N 0.66 0.30 -0.19 4.02 2.43 -1.98 -0.69 114.38 118.93 3kaw h ARG 60 Ca -0.36 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 58.84 3kaw h ARG 60 Cb 1.29 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.72 3kaw h ARG 60 CO 0.52 0.20 -0.12 1.49 -1.51 0.00 0.00 179.97 180.55 3kaw h GLU 61 N 0.31 -0.11 -0.69 0.20 4.57 -1.99 0.79 114.58 117.66 3kaw h GLU 61 Ca 0.08 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 3kaw h GLU 61 Cb -0.03 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 3kaw h GLU 61 CO -0.02 -0.08 0.23 1.96 -1.18 0.00 0.00 179.01 179.93 3kaw h GLN 62 N -0.12 1.04 -0.27 1.92 4.20 -1.85 -1.53 115.11 118.49 3kaw h GLN 62 Ca 0.11 -0.20 -0.13 0.00 0.06 0.00 0.00 58.65 58.48 3kaw h GLN 62 Cb 0.28 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3kaw h GLN 62 CO -0.26 0.88 -0.38 0.00 -0.67 0.00 0.00 178.83 178.40 3kaw h ARG 63 N 1.01 0.63 -0.54 1.46 3.08 -0.72 -0.97 114.38 118.34 3kaw h ARG 63 Ca 0.23 -0.31 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 3kaw h ARG 63 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3kaw h ARG 63 CO -0.01 0.91 -0.00 0.37 -1.07 0.00 0.00 179.97 180.17 3kaw h GLN 64 N 0.52 0.91 -0.23 0.04 -0.00 -0.46 0.17 115.11 116.06 3kaw h GLN 64 Ca 0.05 -0.27 -0.06 0.00 -0.00 0.00 0.00 58.65 58.38 3kaw h GLN 64 Cb 0.89 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.27 3kaw h GLN 64 CO 0.08 0.91 -0.08 0.45 0.00 0.00 0.00 178.83 180.19 3kaw h HIS 65 N 0.84 0.51 -0.09 3.99 3.86 -1.10 -1.27 115.15 121.90 3kaw h HIS 65 Ca 0.16 -0.12 -0.18 0.00 -1.16 0.00 0.00 60.37 59.07 3kaw h HIS 65 Cb 0.50 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 3kaw h HIS 65 CO 0.03 0.70 -0.71 0.00 0.86 0.00 0.00 177.93 178.82 3kaw h ALA 66 N 0.73 0.62 -0.25 2.45 0.00 -1.08 -1.84 119.26 119.89 3kaw h ALA 66 Ca 0.05 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 3kaw h ALA 66 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3kaw h ALA 66 CO 0.03 0.75 -0.19 0.78 0.00 0.00 0.00 179.25 180.62 3kaw h GLY 67 N 1.28 0.62 1.73 0.00 0.00 -0.67 -2.02 103.07 104.02 3kaw h GLY 67 Ca -0.03 -0.60 -0.13 0.00 0.00 0.00 0.00 47.33 46.57 3kaw h GLY 67 CO 0.12 0.55 -0.50 -0.55 0.00 0.00 0.00 176.54 176.15 3kaw h ASP 68 N 0.29 0.31 0.01 0.19 3.32 -1.27 -2.75 116.42 116.52 3kaw h ASP 68 Ca 0.05 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 3kaw h ASP 68 Cb 0.73 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3kaw h ASP 68 CO 0.05 0.77 -0.31 0.00 -1.72 0.00 0.00 179.24 178.02 3kaw h ALA 70 N 1.29 0.12 -0.31 0.00 0.00 -1.14 -1.69 119.26 117.52 3kaw h ALA 70 Ca 0.05 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3kaw h ALA 70 Cb 0.74 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3kaw h ALA 70 CO 0.06 -0.23 -0.21 -0.44 0.00 0.00 0.00 179.25 178.43 3kaw h ASP 71 N -0.08 0.59 -0.46 0.00 3.32 -1.33 -2.05 116.42 116.40 3kaw h ASP 71 Ca 0.03 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.81 3kaw h ASP 71 Cb 0.28 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3kaw h ASP 71 CO 0.00 0.80 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.25 3kaw h LEU 72 N 0.53 0.80 -1.47 1.55 3.38 -0.91 -2.20 115.31 116.98 3kaw h LEU 72 Ca 0.08 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 3kaw h LEU 72 Cb 0.65 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3kaw h LEU 72 CO 0.05 0.92 -0.25 0.00 0.09 0.00 0.00 178.44 179.24 3kaw h ARG 74 N 0.00 -0.12 -0.10 0.00 9.65 -1.02 0.47 114.38 123.26 3kaw h ARG 74 Ca -0.00 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.91 3kaw h ARG 74 Cb 0.55 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.13 3kaw h ARG 74 CO 0.03 0.13 -0.07 1.25 2.80 0.00 0.00 179.97 184.11 3kaw h LEU 75 N -0.35 -0.23 -0.07 3.80 5.85 -0.96 -1.05 115.31 122.30 3kaw h LEU 75 Ca -0.01 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3kaw h LEU 75 Cb 0.30 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3kaw h LEU 75 CO 0.02 -0.10 -0.05 0.00 -0.34 0.00 0.00 178.44 177.97 3kaw h ALA 76 N 1.00 0.02 -0.85 1.25 0.00 -1.26 -1.49 119.26 117.93 3kaw h ALA 76 Ca 0.07 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3kaw h ALA 76 Cb 0.18 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3kaw h ALA 76 CO -0.15 -0.52 0.54 0.00 0.00 0.00 0.00 179.25 179.12 3kaw h ALA 77 N 1.02 1.13 -0.62 0.00 0.00 -0.74 0.17 119.26 120.22 3kaw h ALA 77 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3kaw h ALA 77 Cb 0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3kaw h ALA 77 CO -0.11 0.34 0.35 1.25 0.00 0.00 0.00 179.25 181.08 3kaw h LEU 78 N 1.02 0.76 -0.31 0.00 5.85 -0.73 0.03 115.31 121.94 3kaw h LEU 78 Ca 0.35 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.89 3kaw h LEU 78 Cb 0.06 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3kaw h LEU 78 CO -0.13 0.63 -0.45 -0.07 -0.34 0.00 0.00 178.44 178.07 3kaw h LEU 79 N 0.83 0.00 -0.27 2.25 3.38 -0.77 -2.88 115.31 117.86 3kaw h LEU 79 Ca 0.22 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 3kaw h LEU 79 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kaw h LEU 79 CO -0.04 0.45 -0.29 -0.07 0.09 0.00 0.00 178.44 178.58 3kaw h LEU 80 N 0.00 0.72 -0.30 1.67 4.07 -0.29 -0.30 115.31 120.88 3kaw h LEU 80 Ca -0.00 -0.48 0.02 0.00 0.08 0.00 0.00 57.88 57.50 3kaw h LEU 80 Cb 1.22 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.73 3kaw h LEU 80 CO 0.06 1.05 0.15 -0.33 -1.08 0.00 0.00 178.44 178.29 3kaw h GLU 81 N 0.40 0.30 0.00 1.13 5.08 -0.94 -1.36 114.58 119.18 3kaw h GLU 81 Ca 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3kaw h GLU 81 Cb 0.86 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3kaw h GLU 81 CO 0.07 0.20 0.00 0.54 -1.00 0.00 0.00 179.01 178.82 3kaw n ARG 82 N -4.96 0.88 -3.71 2.33 1.74 -1.09 -4.86 116.66 106.98 3kaw n ARG 82 Ca -0.01 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.79 3kaw n ARG 82 Cb 0.07 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 30.09 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 -0.94 -4.82 -1.80 5.56 3.00 -0.51 -4.88 116.66 112.26 3kaw n ARG 83 Ca 0.18 0.59 -0.41 0.00 -0.01 0.00 0.00 57.85 58.20 3kaw n ARG 83 Cb 0.08 -5.43 -0.01 0.00 0.00 0.00 0.00 32.46 27.11 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 -3.09 6.36 0.00 0.55 0.15 -0.18 -4.88 113.70 112.61 3kaw s SER 84 Ca 0.57 3.01 0.12 0.00 0.70 0.00 0.00 55.95 60.36 3kaw s SER 84 Cb -0.29 -2.66 0.60 0.00 -1.71 0.00 0.00 66.02 61.96 3kaw s SER 84 CO 0.71 -0.89 1.32 -0.81 1.20 0.00 0.00 173.24 174.77 3kaw n PRO 85 N 1.06 0.14 0.00 5.44 -0.04 -1.26 -1.31 135.00 139.02 3kaw n PRO 85 Ca 0.03 0.19 0.08 0.00 -0.04 0.00 0.00 63.50 63.77 3kaw n PRO 85 Cb 0.39 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.33 0.00 -0.16 0.54 8.01 -1.26 -4.60 117.44 118.64 3kaw n TRP 86 Ca 0.05 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.22 3kaw n TRP 86 Cb 0.11 0.00 0.06 0.00 -2.01 0.00 0.00 31.31 29.47 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 2.96 0.50 -0.92 6.99 0.00 -1.47 -1.88 119.26 125.44 3kaw h ALA 87 Ca 0.00 0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.18 3kaw h ALA 87 Cb 0.57 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 3kaw h ALA 87 CO 0.00 -0.37 0.59 -1.00 0.00 0.00 0.00 179.25 178.47 3kaw h PRO 88 N 0.15 0.73 -0.43 0.00 0.13 -1.81 0.48 132.00 131.24 3kaw h PRO 88 Ca 0.25 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.26 3kaw h PRO 88 Cb 0.37 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 3kaw h PRO 88 CO -0.39 0.48 -0.03 0.00 -0.23 0.00 0.00 178.00 177.84 3kaw h ALA 89 N 1.59 1.14 0.00 -0.56 0.00 -1.67 0.39 119.26 120.15 3kaw h ALA 89 Ca 0.46 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 3kaw h ALA 89 Cb 0.68 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3kaw h ALA 89 CO -0.22 0.55 -0.88 0.00 0.00 0.00 0.00 179.25 178.70 3kaw h ALA 90 N 1.30 0.51 -0.17 0.00 0.00 -0.61 -3.04 119.26 117.26 3kaw h ALA 90 Ca 0.13 -0.72 -0.12 0.00 0.00 0.00 0.00 54.91 54.20 3kaw h ALA 90 Cb 0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kaw h ALA 90 CO 0.02 0.90 -0.42 0.00 0.00 0.00 0.00 179.25 179.76 3kaw h GLU 92 N 0.32 0.46 -0.27 0.00 4.81 -0.91 0.60 114.58 119.59 3kaw h GLU 92 Ca 0.03 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 3kaw h GLU 92 Cb 0.87 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 3kaw h GLU 92 CO 0.07 0.49 0.01 1.25 -0.73 0.00 0.00 179.01 180.10 3kaw h LEU 93 N 0.33 0.46 -0.75 1.64 7.12 -1.45 -1.32 115.31 121.34 3kaw h LEU 93 Ca 0.10 -0.30 -0.03 0.00 0.13 0.00 0.00 57.88 57.78 3kaw h LEU 93 Cb 0.22 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.19 3kaw h LEU 93 CO -0.01 0.65 0.37 0.00 -0.13 0.00 0.00 178.44 179.32 3kaw h ALA 94 N 0.83 0.96 -0.69 1.25 0.00 -1.21 -2.36 119.26 118.05 3kaw h ALA 94 Ca 0.08 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3kaw h ALA 94 Cb 0.40 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3kaw h ALA 94 CO 0.01 0.52 0.17 0.00 0.00 0.00 0.00 179.25 179.95 3kaw h ALA 95 N 1.18 0.99 -0.53 0.00 0.00 -0.77 0.15 119.26 120.28 3kaw h ALA 95 Ca 0.26 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3kaw h ALA 95 Cb 0.11 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3kaw h ALA 95 CO -0.03 0.66 0.27 -0.09 0.00 0.00 0.00 179.25 180.05 3kaw h ARG 96 N 1.05 0.50 0.00 0.00 2.43 -0.72 -2.42 114.38 115.22 3kaw h ARG 96 Ca 0.22 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3kaw h ARG 96 Cb 0.36 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3kaw h ARG 96 CO 0.00 0.33 -0.67 1.88 -1.51 0.00 0.00 179.97 180.00 3kaw h TYR 97 N 0.51 0.00 -0.59 2.20 0.05 -1.30 -3.22 116.97 114.63 3kaw h TYR 97 Ca 0.24 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.93 3kaw h TYR 97 Cb 0.15 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 3kaw h TYR 97 CO -0.10 0.00 0.02 0.00 -1.05 0.00 0.00 178.16 177.03 3kaw h ALA 98 N 2.00 0.93 -0.00 3.88 0.00 -0.33 0.61 119.26 126.34 3kaw h ALA 98 Ca -0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 3kaw h ALA 98 Cb 1.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3kaw h ALA 98 CO 0.00 0.65 -0.75 1.37 0.00 0.00 0.00 179.25 180.51 3kaw h LEU 99 N 0.93 0.04 -1.46 0.00 8.10 -1.54 -0.59 115.31 120.79 3kaw h LEU 99 Ca 0.17 -0.03 -0.06 0.00 0.11 0.00 0.00 57.88 58.07 3kaw h LEU 99 Cb 0.51 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.71 3kaw h LEU 99 CO 0.02 0.78 -0.28 0.00 -4.11 0.00 0.00 178.44 174.86 3kaw h ALA 100 N 1.22 1.47 0.07 0.17 0.00 -1.42 -0.03 119.26 120.74 3kaw h ALA 100 Ca -0.01 -0.25 -0.28 0.00 0.00 0.00 0.00 54.91 54.37 3kaw h ALA 100 Cb 1.33 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.10 3kaw h ALA 100 CO 0.10 0.34 -1.14 0.00 0.00 0.00 0.00 179.25 178.55 3kaw h ALA 102 N 0.44 1.53 -0.00 0.00 0.00 -0.41 0.21 119.26 121.04 3kaw h ALA 102 Ca -0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3kaw h ALA 102 Cb 1.81 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3kaw h ALA 102 CO 0.21 0.34 -0.04 0.93 0.00 0.00 0.00 179.25 180.70 3kaw h GLU 103 N 0.35 0.03 0.00 0.00 5.08 -1.00 -2.46 114.58 116.58 3kaw h GLU 103 Ca 0.08 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3kaw h GLU 103 Cb 0.26 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3kaw h GLU 103 CO 0.01 0.73 -0.60 0.00 -1.00 0.00 0.00 179.01 178.15 3kaw h ARG 104 N -0.65 0.00 -0.00 2.33 -0.00 -1.26 -3.32 114.38 111.48 3kaw h ARG 104 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3kaw h ARG 104 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.71 3kaw h ARG 104 CO 0.01 0.60 -0.86 0.00 0.00 0.00 0.00 179.97 179.71 3kaw n ASP 106 N -1.22 1.97 -3.64 0.00 2.03 -0.93 -4.64 116.55 110.12 3kaw n ASP 106 Ca 0.05 0.90 0.01 0.00 0.52 0.00 0.00 54.79 56.28 3kaw n ASP 106 Cb 0.36 -1.51 -0.00 0.00 -0.72 0.00 0.00 41.12 39.24 3kaw n ASP 106 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3kaw s GLY 107 N -1.09 -0.36 0.30 0.27 0.00 -1.26 -4.94 107.32 100.24 3kaw s GLY 107 Ca 0.75 0.56 0.16 0.00 0.00 0.00 0.00 44.72 46.19 3kaw s GLY 107 CO 0.47 0.63 1.55 -0.55 0.00 0.00 0.00 173.10 175.20 3kaw h ASP 108 N 2.00 0.00 -3.96 1.64 5.19 -1.94 -3.22 116.42 116.13 3kaw h ASP 108 Ca -0.29 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.59 3kaw h ASP 108 Cb 1.20 0.00 0.09 0.00 0.18 0.00 0.00 39.33 40.80 3kaw h ASP 108 CO 0.29 0.50 0.61 -1.61 -3.12 0.00 0.00 179.24 175.90 3kaw s GLU 109 N -3.20 3.86 0.20 3.56 2.02 -1.26 -4.79 118.70 119.09 3kaw s GLU 109 Ca 0.02 2.15 -0.12 0.00 0.02 0.00 0.00 54.97 57.04 3kaw s GLU 109 Cb 0.09 -2.68 0.24 0.00 0.10 0.00 0.00 34.13 31.89 3kaw s GLU 109 CO 0.73 -0.58 1.68 -1.00 0.02 0.00 0.00 175.26 176.11 3kaw h PRO 110 N 2.49 0.14 0.00 0.39 0.13 -1.99 0.30 132.00 133.46 3kaw h PRO 110 Ca -0.50 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 3kaw h PRO 110 Cb 1.25 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 3kaw h PRO 110 CO 0.62 0.09 -0.09 1.25 -0.23 0.00 0.00 178.00 179.64 3kaw h LEU 111 N 0.14 0.00 0.20 1.56 5.85 -1.95 0.26 115.31 121.37 3kaw h LEU 111 Ca 0.29 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.67 3kaw h LEU 111 Cb 0.44 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.49 3kaw h LEU 111 CO -0.45 0.09 -1.65 -0.33 -0.34 0.00 0.00 178.44 175.77 3kaw h GLU 112 N 0.00 0.42 0.02 1.25 5.08 -1.29 -3.22 114.58 116.85 3kaw h GLU 112 Ca -0.00 -0.72 -0.22 0.00 -1.00 0.00 0.00 59.36 57.42 3kaw h GLU 112 Cb 0.25 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3kaw h GLU 112 CO 0.01 1.34 -0.96 0.07 -1.00 0.00 0.00 179.01 178.47 3kaw h ARG 113 N 0.07 0.30 -0.20 2.33 0.11 -0.91 -2.38 114.38 113.71 3kaw h ARG 113 Ca -0.32 -0.35 -0.00 0.00 0.10 0.00 0.00 59.98 59.41 3kaw h ARG 113 Cb 2.08 0.11 -0.01 0.00 1.11 0.00 0.00 29.97 33.26 3kaw h ARG 113 CO 0.19 1.06 0.12 0.93 0.10 0.00 0.00 179.97 182.38 3kaw h GLU 114 N 0.16 0.27 0.93 0.08 5.08 -1.10 0.27 114.58 120.26 3kaw h GLU 114 Ca -0.07 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 3kaw h GLU 114 Cb 1.61 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.81 3kaw h GLU 114 CO 0.16 0.22 -0.45 0.00 -1.00 0.00 0.00 179.01 177.94 3kaw h ALA 116 N -1.41 1.89 -0.20 0.00 0.00 -1.36 -0.58 119.26 117.59 3kaw h ALA 116 Ca -0.13 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3kaw h ALA 116 Cb 0.95 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3kaw h ALA 116 CO 0.21 -0.20 -0.19 0.78 0.00 0.00 0.00 179.25 179.84 3kaw h GLY 117 N 0.64 0.52 1.15 0.00 0.00 -0.31 -1.89 103.07 103.17 3kaw h GLY 117 Ca 0.51 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3kaw h GLY 117 CO -0.27 0.48 0.42 0.00 0.00 0.00 0.00 176.54 177.18 3kaw h ALA 118 N 0.65 1.24 -0.21 3.60 0.00 0.00 0.24 119.26 124.79 3kaw h ALA 118 Ca 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kaw h ALA 118 Cb 0.74 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kaw h ALA 118 CO 0.05 0.60 0.08 0.00 0.00 0.00 0.00 179.25 179.98 3kaw h ARG 120 N 0.18 -0.12 -0.93 0.00 2.47 -0.79 -0.93 114.38 114.27 3kaw h ARG 120 Ca 0.07 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.87 3kaw h ARG 120 Cb 0.19 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.47 3kaw h ARG 120 CO -0.00 -0.08 0.60 0.00 0.56 0.00 0.00 179.97 181.05 3kaw h ARG 121 N -0.12 1.00 -0.21 0.04 3.08 -0.83 0.21 114.38 117.55 3kaw h ARG 121 Ca 0.05 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3kaw h ARG 121 Cb 0.19 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3kaw h ARG 121 CO -0.12 0.66 0.01 0.35 -1.07 0.00 0.00 179.97 179.79 3kaw h PHE 122 N 1.03 0.40 -0.93 3.04 3.57 -0.68 -1.21 116.94 122.16 3kaw h PHE 122 Ca 0.41 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.90 3kaw h PHE 122 Cb 0.25 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.82 3kaw h PHE 122 CO -0.00 0.55 0.59 0.28 -2.23 0.00 0.00 178.31 177.50 3kaw h VAL 123 N 0.14 1.08 -0.76 1.41 2.07 -0.47 -1.42 116.25 118.29 3kaw h VAL 123 Ca 0.06 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 3kaw h VAL 123 Cb 0.39 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 3kaw h VAL 123 CO 0.01 0.20 0.26 -0.33 0.02 0.00 0.00 177.57 177.72 3kaw h GLU 124 N 1.09 1.17 0.00 1.57 4.39 -0.72 -2.68 114.58 119.40 3kaw h GLU 124 Ca 0.40 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3kaw h GLU 124 Cb 0.15 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3kaw h GLU 124 CO -0.17 0.98 0.00 0.00 -1.16 0.00 0.00 179.01 178.67 3kaw h ALA 125 N 1.14 1.00 0.00 3.43 0.00 -0.16 -3.00 119.26 121.68 3kaw h ALA 125 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 3kaw h ALA 125 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3kaw h ALA 125 CO -0.01 0.00 -0.91 0.00 0.00 0.00 0.00 179.25 178.33 3kaw h ARG 127 N 0.00 -0.03 0.00 0.00 2.47 -1.53 0.15 114.38 115.44 3kaw h ARG 127 Ca -0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3kaw h ARG 127 Cb 1.69 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 30.01 3kaw h ARG 127 CO 0.11 -0.02 0.00 -1.00 0.56 0.00 0.00 179.97 179.62 3kaw h PRO 128 N -0.03 0.00 -0.63 0.04 0.13 -1.79 -2.52 132.00 127.20 3kaw h PRO 128 Ca 0.34 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.35 3kaw h PRO 128 Cb 0.56 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.62 3kaw h PRO 128 CO -0.78 0.00 0.14 1.28 -0.23 0.00 0.00 178.00 178.42 3kaw n LEU 129 N -2.67 5.73 0.00 1.56 4.77 0.51 -5.12 117.00 121.78 3kaw n LEU 129 Ca -0.01 -3.13 0.00 0.00 -0.03 0.00 0.00 56.01 52.84 3kaw n LEU 129 Cb 0.15 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 3kaw n LEU 129 CO 0.19 0.75 0.02 0.18 -1.33 0.00 0.00 177.39 177.20