#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kaw h PRO 33 N 0.00 0.00 -0.26 0.00 0.13 -1.99 -2.68 132.00 127.21 3kaw h PRO 33 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 3kaw h PRO 33 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3kaw h PRO 33 CO 0.00 0.26 -0.21 0.93 -0.23 0.00 0.00 178.00 178.75 3kaw h GLU 34 N 0.00 0.60 -0.84 0.86 5.08 -1.98 -1.60 114.58 116.70 3kaw h GLU 34 Ca -0.00 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3kaw h GLU 34 Cb 0.46 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 3kaw h GLU 34 CO 0.03 0.89 0.45 1.49 -1.00 0.00 0.00 179.01 180.88 3kaw h GLU 35 N 0.32 1.17 -0.69 2.33 4.57 -1.89 0.13 114.58 120.51 3kaw h GLU 35 Ca 0.05 -0.14 -0.08 0.00 -1.18 0.00 0.00 59.36 58.02 3kaw h GLU 35 Cb 0.76 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 3kaw h GLU 35 CO 0.05 0.86 0.13 -0.09 -1.18 0.00 0.00 179.01 178.79 3kaw h ARG 36 N 1.17 1.13 -0.26 1.92 2.43 -1.38 -0.47 114.38 118.93 3kaw h ARG 36 Ca 0.30 -0.29 -0.16 0.00 -0.81 0.00 0.00 59.98 59.02 3kaw h ARG 36 Cb 0.03 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3kaw h ARG 36 CO -0.05 1.01 -0.46 0.00 -1.51 0.00 0.00 179.97 178.97 3kaw h ARG 38 N 0.51 0.63 -0.62 0.00 2.43 -0.63 0.21 114.38 116.91 3kaw h ARG 38 Ca 0.02 -0.15 0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3kaw h ARG 38 Cb 1.06 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.48 3kaw h ARG 38 CO 0.10 0.66 0.37 1.25 -1.51 0.00 0.00 179.97 180.84 3kaw h LEU 39 N 0.50 0.58 -1.04 3.80 5.85 -1.06 0.17 115.31 124.10 3kaw h LEU 39 Ca 0.12 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 3kaw h LEU 39 Cb 0.31 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3kaw h LEU 39 CO 0.00 0.39 -0.43 0.00 -0.34 0.00 0.00 178.44 178.07 3kaw h ALA 40 N 1.29 1.11 -0.29 1.25 0.00 -1.02 -2.21 119.26 119.39 3kaw h ALA 40 Ca 0.26 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 3kaw h ALA 40 Cb 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kaw h ALA 40 CO -0.13 0.54 -0.53 0.00 0.00 0.00 0.00 179.25 179.12 3kaw h ALA 41 N 1.57 0.50 -0.53 0.00 0.00 0.29 -1.52 119.26 119.58 3kaw h ALA 41 Ca -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3kaw h ALA 41 Cb 0.86 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3kaw h ALA 41 CO 0.06 0.68 0.28 0.37 0.00 0.00 0.00 179.25 180.64 3kaw h GLN 42 N 0.66 0.74 -0.53 0.00 5.75 -0.39 -1.04 115.11 120.30 3kaw h GLN 42 Ca 0.02 -0.09 -0.09 0.00 -0.15 0.00 0.00 58.65 58.34 3kaw h GLN 42 Cb 1.13 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 3kaw h GLN 42 CO 0.12 0.59 -0.01 0.00 -2.65 0.00 0.00 178.83 176.87 3kaw h ALA 43 N 1.11 0.98 -0.66 3.38 0.00 -1.34 -1.67 119.26 121.06 3kaw h ALA 43 Ca 0.18 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3kaw h ALA 43 Cb 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3kaw h ALA 43 CO -0.03 0.62 0.16 0.00 0.00 0.00 0.00 179.25 180.01 3kaw h ILE 45 N 0.99 1.18 -0.06 0.00 2.04 -0.84 -1.33 117.51 119.49 3kaw h ILE 45 Ca 0.21 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.54 3kaw h ILE 45 Cb 0.34 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 3kaw h ILE 45 CO -0.00 0.19 -0.09 0.03 0.00 0.00 0.00 178.15 178.27 3kaw h ARG 46 N 0.27 -0.13 -0.14 2.37 3.08 -0.89 -2.11 114.38 116.85 3kaw h ARG 46 Ca 0.09 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.17 3kaw h ARG 46 Cb 0.20 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3kaw h ARG 46 CO -0.01 -0.08 -0.02 0.00 -1.07 0.00 0.00 179.97 178.79 3kaw h ALA 47 N 0.91 0.10 -0.48 0.04 0.00 -0.73 -1.73 119.26 117.37 3kaw h ALA 47 Ca 0.06 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3kaw h ALA 47 Cb 0.21 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3kaw h ALA 47 CO -0.14 -0.47 0.27 0.00 0.00 0.00 0.00 179.25 178.91 3kaw h GLU 49 N 0.54 0.57 -0.13 0.00 5.08 -1.22 -0.68 114.58 118.74 3kaw h GLU 49 Ca 0.20 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3kaw h GLU 49 Cb 0.05 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3kaw h GLU 49 CO -0.10 0.50 -0.09 0.00 -1.00 0.00 0.00 179.01 178.31 3kaw h ARG 50 N 0.50 0.20 0.38 2.33 3.08 -1.10 -1.25 114.38 118.52 3kaw h ARG 50 Ca 0.13 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3kaw h ARG 50 Cb 0.12 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3kaw h ARG 50 CO -0.02 0.30 -0.18 -0.92 -1.07 0.00 0.00 179.97 178.08 3kaw h TYR 51 N 0.19 -0.47 0.00 3.04 3.20 -0.74 0.86 116.97 123.04 3kaw h TYR 51 Ca 0.04 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3kaw h TYR 51 Cb 0.29 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.71 3kaw h TYR 51 CO 0.00 -0.29 0.00 1.37 -1.64 0.00 0.00 178.16 177.60 3kaw h LEU 52 N -0.78 0.00 0.07 2.82 8.10 -1.10 0.15 115.31 124.58 3kaw h LEU 52 Ca -0.05 0.00 -0.36 0.00 0.11 0.00 0.00 57.88 57.58 3kaw h LEU 52 Cb 0.39 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.57 3kaw h LEU 52 CO 0.09 0.00 -2.08 0.00 -4.11 0.00 0.00 178.44 172.33 3kaw n ALA 53 N -2.06 1.13 -0.07 0.17 0.00 -0.48 -4.67 120.51 114.54 3kaw n ALA 53 Ca -0.02 -0.77 -0.04 0.00 0.00 0.00 0.00 53.44 52.60 3kaw n ALA 53 Cb 0.11 -0.55 -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 -3.32 0.00 -4.77 0.00 4.32 0.29 -4.97 117.00 108.56 3kaw n LEU 54 Ca -0.33 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.26 3kaw n LEU 54 Cb 1.04 0.33 -0.01 0.00 -1.62 0.00 0.00 43.42 43.16 3kaw n LEU 54 CO 0.40 0.33 0.97 0.00 -1.22 0.00 0.00 177.39 177.87 3kaw n THR 56 N 0.37 0.46 0.41 0.00 -2.24 -1.26 -4.53 114.28 107.49 3kaw n THR 56 Ca 0.02 -0.73 0.05 0.00 -2.27 0.00 0.00 64.05 61.12 3kaw n THR 56 Cb 0.43 0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3kaw n THR 56 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kaw n GLU 57 N 0.15 2.08 -1.75 -0.78 1.02 -1.26 -5.03 120.64 115.07 3kaw n GLU 57 Ca 0.04 -0.59 -0.38 0.00 -0.02 0.00 0.00 57.16 56.21 3kaw n GLU 57 Cb 0.23 -1.06 0.05 0.00 -0.02 0.00 0.00 31.44 30.63 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 -1.27 5.15 0.57 1.62 1.04 -1.26 -5.03 113.70 114.52 3kaw s SER 58 Ca 0.08 2.78 0.06 0.00 0.48 0.00 0.00 55.95 59.34 3kaw s SER 58 Cb 0.07 -2.64 0.07 0.00 0.10 0.00 0.00 66.02 63.63 3kaw s SER 58 CO 0.23 -1.65 0.79 -0.94 0.98 0.00 0.00 173.24 172.65 3kaw s SER 59 N -0.98 5.06 0.12 7.02 1.04 -1.26 -4.96 113.70 119.74 3kaw s SER 59 Ca 0.73 -0.56 -0.20 0.00 0.48 0.00 0.00 55.95 56.40 3kaw s SER 59 Cb -0.41 -0.09 -0.07 0.00 0.10 0.00 0.00 66.02 65.54 3kaw s SER 59 CO 0.48 -1.32 1.75 -0.09 0.98 0.00 0.00 173.24 175.03 3kaw h ARG 60 N 0.10 0.26 -0.00 4.02 2.43 -2.00 -2.29 114.38 116.90 3kaw h ARG 60 Ca -0.35 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.76 3kaw h ARG 60 Cb 1.28 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 3kaw h ARG 60 CO 0.43 0.21 -0.20 0.93 -1.51 0.00 0.00 179.97 179.82 3kaw h GLU 61 N 0.24 0.01 -0.04 0.20 5.08 -1.99 -1.82 114.58 116.25 3kaw h GLU 61 Ca 0.07 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 3kaw h GLU 61 Cb 0.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3kaw h GLU 61 CO -0.01 0.21 -0.76 1.96 -1.00 0.00 0.00 179.01 179.41 3kaw h GLN 62 N 0.01 0.29 -0.25 2.33 4.20 -1.86 -1.58 115.11 118.26 3kaw h GLN 62 Ca -0.00 -0.26 -0.16 0.00 0.06 0.00 0.00 58.65 58.29 3kaw h GLN 62 Cb 0.36 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3kaw h GLN 62 CO 0.03 0.92 -0.50 -0.09 -0.67 0.00 0.00 178.83 178.51 3kaw h ARG 63 N 0.19 0.68 -0.08 1.46 2.43 -1.03 0.66 114.38 118.69 3kaw h ARG 63 Ca -0.03 -0.41 -0.02 0.00 -0.81 0.00 0.00 59.98 58.72 3kaw h ARG 63 Cb 1.33 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.92 3kaw h ARG 63 CO 0.12 1.02 -0.01 0.37 -1.51 0.00 0.00 179.97 179.96 3kaw h GLN 64 N 0.54 0.15 -0.06 0.20 -0.00 -1.28 0.40 115.11 115.06 3kaw h GLN 64 Ca 0.02 -0.05 0.02 0.00 -0.00 0.00 0.00 58.65 58.64 3kaw h GLN 64 Cb 1.06 -0.01 -0.03 0.00 0.00 0.00 0.00 27.48 28.50 3kaw h GLN 64 CO 0.10 0.45 -0.09 0.45 0.00 0.00 0.00 178.83 179.74 3kaw h HIS 65 N -0.16 -0.23 -0.71 3.99 3.86 -1.18 0.47 115.15 121.19 3kaw h HIS 65 Ca 0.02 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 3kaw h HIS 65 Cb 0.39 0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 3kaw h HIS 65 CO 0.04 -0.14 0.20 0.00 0.86 0.00 0.00 177.93 178.89 3kaw h ALA 66 N 0.90 1.02 -0.22 2.45 0.00 -0.81 -0.55 119.26 122.04 3kaw h ALA 66 Ca 0.06 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3kaw h ALA 66 Cb 0.21 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kaw h ALA 66 CO -0.14 0.65 -0.25 0.78 0.00 0.00 0.00 179.25 180.30 3kaw h GLY 67 N 1.09 0.60 1.04 0.00 0.00 -0.71 -1.63 103.07 103.46 3kaw h GLY 67 Ca 0.23 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 3kaw h GLY 67 CO -0.00 0.57 0.12 -0.55 0.00 0.00 0.00 176.54 176.67 3kaw h ASP 68 N 0.24 0.98 -0.89 0.19 3.45 -0.83 -1.90 116.42 117.66 3kaw h ASP 68 Ca 0.03 -0.25 -0.01 0.00 0.43 0.00 0.00 57.03 57.23 3kaw h ASP 68 Cb 0.81 -0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 39.27 3kaw h ASP 68 CO 0.06 0.98 0.50 0.00 -1.57 0.00 0.00 179.24 179.21 3kaw h ALA 70 N 1.31 0.24 -0.68 0.00 0.00 -0.80 -0.96 119.26 118.38 3kaw h ALA 70 Ca 0.32 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3kaw h ALA 70 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3kaw h ALA 70 CO -0.05 -0.25 0.25 -0.44 0.00 0.00 0.00 179.25 178.75 3kaw h ASP 71 N 0.23 0.96 -0.44 0.00 3.32 -0.87 -1.12 116.42 118.50 3kaw h ASP 71 Ca 0.07 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3kaw h ASP 71 Cb 0.02 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3kaw h ASP 71 CO -0.01 0.89 0.27 -0.07 -1.72 0.00 0.00 179.24 178.60 3kaw h LEU 72 N 0.98 0.51 -1.25 1.55 3.38 -0.75 -1.28 115.31 118.45 3kaw h LEU 72 Ca 0.22 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3kaw h LEU 72 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3kaw h LEU 72 CO -0.01 0.40 -0.29 0.00 0.09 0.00 0.00 178.44 178.62 3kaw h ARG 74 N 0.00 -0.54 -0.61 0.00 9.65 -0.51 0.11 114.38 122.48 3kaw h ARG 74 Ca -0.00 0.04 0.09 0.00 -1.10 0.00 0.00 59.98 59.01 3kaw h ARG 74 Cb 0.70 0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 29.33 3kaw h ARG 74 CO 0.04 -0.24 0.23 1.25 2.80 0.00 0.00 179.97 184.05 3kaw h LEU 75 N -0.85 0.23 -0.66 3.80 7.12 -1.07 -0.25 115.31 123.63 3kaw h LEU 75 Ca -0.06 0.08 -0.02 0.00 0.13 0.00 0.00 57.88 58.01 3kaw h LEU 75 Cb 0.55 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.71 3kaw h LEU 75 CO 0.09 0.13 0.34 0.00 -0.13 0.00 0.00 178.44 178.88 3kaw h ALA 76 N 1.42 0.85 -0.96 1.25 0.00 -1.21 -2.12 119.26 118.49 3kaw h ALA 76 Ca 0.31 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3kaw h ALA 76 Cb 0.38 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3kaw h ALA 76 CO -0.31 0.39 0.63 0.00 0.00 0.00 0.00 179.25 179.97 3kaw h ALA 77 N 1.16 1.34 -0.61 0.00 0.00 0.85 -0.19 119.26 121.81 3kaw h ALA 77 Ca 0.23 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3kaw h ALA 77 Cb 0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3kaw h ALA 77 CO -0.03 0.59 0.21 -0.07 0.00 0.00 0.00 179.25 179.95 3kaw h LEU 78 N 1.26 0.86 -0.70 0.00 3.38 -0.68 0.72 115.31 120.15 3kaw h LEU 78 Ca 0.36 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 3kaw h LEU 78 Cb -0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3kaw h LEU 78 CO -0.09 0.82 -0.60 -0.07 0.09 0.00 0.00 178.44 178.59 3kaw h LEU 79 N 0.85 0.18 -0.46 1.67 3.38 -0.87 -2.94 115.31 117.13 3kaw h LEU 79 Ca 0.20 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 3kaw h LEU 79 Cb 0.25 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3kaw h LEU 79 CO -0.01 0.74 -0.54 -0.07 0.09 0.00 0.00 178.44 178.65 3kaw h LEU 80 N 0.12 0.74 -0.24 1.67 4.07 -0.74 0.90 115.31 121.83 3kaw h LEU 80 Ca -0.01 -0.39 0.02 0.00 0.08 0.00 0.00 57.88 57.59 3kaw h LEU 80 Cb 1.09 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.59 3kaw h LEU 80 CO 0.09 1.13 0.08 -0.33 -1.08 0.00 0.00 178.44 178.33 3kaw h GLU 81 N 0.51 0.18 -0.16 1.13 5.08 -0.73 -1.63 114.58 118.97 3kaw h GLU 81 Ca 0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kaw h GLU 81 Cb 1.10 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3kaw h GLU 81 CO 0.11 0.12 0.00 0.54 -1.00 0.00 0.00 179.01 178.78 3kaw n ARG 82 N -5.04 1.39 -4.04 2.33 1.74 -1.12 -4.92 116.66 106.99 3kaw n ARG 82 Ca -0.02 -0.60 -0.33 0.00 -0.77 0.00 0.00 57.85 56.14 3kaw n ARG 82 Cb 0.09 -1.15 -0.02 0.00 -1.02 0.00 0.00 32.46 30.36 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 -0.02 -1.62 -2.59 5.56 3.00 -0.61 -4.91 116.66 115.46 3kaw n ARG 83 Ca 0.06 0.25 -0.36 0.00 -0.01 0.00 0.00 57.85 57.79 3kaw n ARG 83 Cb 0.15 -3.76 -0.04 0.00 0.00 0.00 0.00 32.46 28.81 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 -4.05 6.77 0.05 0.55 0.15 0.27 -4.93 113.70 112.51 3kaw s SER 84 Ca 0.18 1.98 0.21 0.00 0.70 0.00 0.00 55.95 59.02 3kaw s SER 84 Cb -0.09 -2.58 0.89 0.00 -1.71 0.00 0.00 66.02 62.53 3kaw s SER 84 CO 0.93 -0.48 1.68 -0.81 1.20 0.00 0.00 173.24 175.76 3kaw n PRO 85 N -0.19 0.05 -0.08 5.44 -0.04 -1.26 -2.32 135.00 136.60 3kaw n PRO 85 Ca 0.05 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 3kaw n PRO 85 Cb 0.50 -1.57 0.25 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.65 0.21 -0.08 0.54 8.01 -1.26 -4.44 117.44 118.77 3kaw n TRP 86 Ca 0.05 -0.11 -0.08 0.00 -1.31 0.00 0.00 57.50 56.05 3kaw n TRP 86 Cb 0.26 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.55 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 4.47 0.37 -0.82 6.99 0.00 -1.74 -2.75 119.26 125.78 3kaw h ALA 87 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.02 3kaw h ALA 87 Cb 0.83 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 3kaw h ALA 87 CO 0.00 -0.23 0.46 -1.00 0.00 0.00 0.00 179.25 178.48 3kaw h PRO 88 N 0.32 0.72 -0.76 0.00 0.13 -1.82 0.38 132.00 130.97 3kaw h PRO 88 Ca 0.12 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.18 3kaw h PRO 88 Cb 0.03 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 30.97 3kaw h PRO 88 CO -0.08 0.48 0.37 0.00 -0.23 0.00 0.00 178.00 178.54 3kaw h ALA 89 N 1.47 1.23 -0.15 -0.56 0.00 -1.82 -0.02 119.26 119.41 3kaw h ALA 89 Ca 0.40 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 3kaw h ALA 89 Cb 0.42 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3kaw h ALA 89 CO -0.27 0.60 -0.59 0.00 0.00 0.00 0.00 179.25 178.99 3kaw h ALA 90 N 1.33 0.71 -0.39 0.00 0.00 -0.84 -2.89 119.26 117.18 3kaw h ALA 90 Ca 0.26 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 3kaw h ALA 90 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3kaw h ALA 90 CO -0.04 0.70 -0.20 0.00 0.00 0.00 0.00 179.25 179.72 3kaw h GLU 92 N 0.67 0.74 -0.11 0.00 4.81 -0.95 0.22 114.58 119.95 3kaw h GLU 92 Ca 0.10 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 3kaw h GLU 92 Cb 0.70 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3kaw h GLU 92 CO 0.05 0.69 -0.36 1.25 -0.73 0.00 0.00 179.01 179.91 3kaw h LEU 93 N 0.71 0.51 -0.66 1.64 6.46 -1.27 -2.68 115.31 120.02 3kaw h LEU 93 Ca 0.15 -0.61 -0.09 0.00 -0.12 0.00 0.00 57.88 57.21 3kaw h LEU 93 Cb 0.30 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 3kaw h LEU 93 CO 0.00 1.03 0.04 0.00 -0.62 0.00 0.00 178.44 178.89 3kaw h ALA 94 N 0.49 0.87 -0.07 1.25 0.00 -1.04 -3.02 119.26 117.75 3kaw h ALA 94 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3kaw h ALA 94 Cb 0.99 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3kaw h ALA 94 CO 0.08 0.67 0.04 0.00 0.00 0.00 0.00 179.25 180.03 3kaw h ALA 95 N 1.03 0.08 -1.00 0.00 0.00 -0.61 0.64 119.26 119.40 3kaw h ALA 95 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3kaw h ALA 95 Cb 0.52 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3kaw h ALA 95 CO 0.02 -0.43 0.66 0.07 0.00 0.00 0.00 179.25 179.57 3kaw h ARG 96 N 0.08 1.30 0.00 0.00 -0.00 -1.46 -1.88 114.38 112.42 3kaw h ARG 96 Ca 0.03 -0.08 -0.01 0.00 -0.00 0.00 0.00 59.98 59.92 3kaw h ARG 96 Cb 0.00 -0.29 -0.00 0.00 -0.00 0.00 0.00 29.97 29.67 3kaw h ARG 96 CO -0.02 0.86 -0.41 1.88 -0.00 0.00 0.00 179.97 182.29 3kaw h TYR 97 N 1.34 0.00 -0.39 4.08 0.05 -1.37 -3.10 116.97 117.58 3kaw h TYR 97 Ca 0.37 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 59.05 3kaw h TYR 97 Cb -0.13 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 3kaw h TYR 97 CO -0.00 0.04 -0.15 0.00 -1.05 0.00 0.00 178.16 176.99 3kaw h ALA 98 N 1.96 0.54 0.00 3.88 0.00 0.10 -0.86 119.26 124.89 3kaw h ALA 98 Ca -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 3kaw h ALA 98 Cb 1.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3kaw h ALA 98 CO 0.00 0.46 -0.38 1.37 0.00 0.00 0.00 179.25 180.71 3kaw h LEU 99 N 0.59 0.00 -0.61 0.00 8.10 -1.44 -1.57 115.31 120.39 3kaw h LEU 99 Ca 0.09 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.94 3kaw h LEU 99 Cb 0.70 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.91 3kaw h LEU 99 CO 0.05 0.38 -0.47 0.00 -4.11 0.00 0.00 178.44 174.29 3kaw h ALA 100 N 1.62 0.79 -0.61 0.17 0.00 -1.39 -1.34 119.26 118.50 3kaw h ALA 100 Ca -0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3kaw h ALA 100 Cb 0.81 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3kaw h ALA 100 CO 0.05 0.66 0.07 0.00 0.00 0.00 0.00 179.25 180.03 3kaw h ALA 102 N 1.01 1.37 0.00 0.00 0.00 -1.03 -0.26 119.26 120.35 3kaw h ALA 102 Ca 0.18 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3kaw h ALA 102 Cb 0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kaw h ALA 102 CO 0.02 0.44 -0.47 0.93 0.00 0.00 0.00 179.25 180.17 3kaw h GLU 103 N 0.15 0.00 0.00 0.00 5.08 -0.93 -2.95 114.58 115.93 3kaw h GLU 103 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3kaw h GLU 103 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3kaw h GLU 103 CO 0.04 0.47 -1.81 0.54 -1.00 0.00 0.00 179.01 177.25 3kaw n ARG 104 N -3.63 0.57 -0.03 2.33 5.12 -1.06 -4.63 116.66 115.33 3kaw n ARG 104 Ca -0.01 -0.16 0.07 0.00 -1.93 0.00 0.00 57.85 55.82 3kaw n ARG 104 Cb 0.55 -1.43 -0.17 0.00 -1.16 0.00 0.00 32.46 30.25 3kaw n ARG 104 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kaw n ASP 106 N -2.34 0.14 -2.37 0.00 4.64 -1.11 -4.71 116.55 110.80 3kaw n ASP 106 Ca -0.09 1.08 -0.04 0.00 -1.38 0.00 0.00 54.79 54.36 3kaw n ASP 106 Cb 0.67 -1.17 0.02 0.00 -1.04 0.00 0.00 41.12 39.59 3kaw n ASP 106 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kaw n GLY 107 N 1.54 1.09 0.03 0.27 0.00 -1.25 -4.91 105.19 101.95 3kaw n GLY 107 Ca 0.12 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 45.13 3kaw n GLY 107 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kaw n ASP 108 N -1.23 0.53 -4.75 1.61 3.85 -1.26 -3.68 116.55 111.63 3kaw n ASP 108 Ca -0.04 -0.01 -0.40 0.00 -0.71 0.00 0.00 54.79 53.63 3kaw n ASP 108 Cb 0.40 0.12 -0.06 0.00 -1.35 0.00 0.00 41.12 40.24 3kaw n ASP 108 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3kaw s GLU 109 N -3.07 4.81 0.29 0.11 2.02 -1.26 -4.88 118.70 116.71 3kaw s GLU 109 Ca 0.09 1.52 0.01 0.00 0.02 0.00 0.00 54.97 56.61 3kaw s GLU 109 Cb 0.16 -3.29 0.68 0.00 0.10 0.00 0.00 34.13 31.78 3kaw s GLU 109 CO 0.69 0.43 1.63 -1.00 0.02 0.00 0.00 175.26 177.03 3kaw h PRO 110 N 4.36 0.13 -0.01 0.39 0.13 -1.99 0.13 132.00 135.14 3kaw h PRO 110 Ca -0.45 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 3kaw h PRO 110 Cb 1.20 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3kaw h PRO 110 CO 0.69 0.09 -0.46 -0.07 -0.23 0.00 0.00 178.00 178.01 3kaw h LEU 111 N 0.14 0.03 -0.10 1.56 4.07 -1.96 -0.26 115.31 118.79 3kaw h LEU 111 Ca 0.54 -0.01 -0.18 0.00 0.08 0.00 0.00 57.88 58.31 3kaw h LEU 111 Cb 1.09 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 42.83 3kaw h LEU 111 CO -0.72 0.49 -0.65 -0.33 -1.08 0.00 0.00 178.44 176.15 3kaw h GLU 112 N 0.02 0.62 -0.21 1.13 5.08 -1.12 -2.33 114.58 117.77 3kaw h GLU 112 Ca -0.00 -0.53 -0.16 0.00 -1.00 0.00 0.00 59.36 57.67 3kaw h GLU 112 Cb 0.83 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3kaw h GLU 112 CO 0.06 1.15 -0.54 -0.09 -1.00 0.00 0.00 179.01 178.59 3kaw h ARG 113 N 0.26 0.61 -0.08 2.33 2.43 -1.01 -2.88 114.38 116.03 3kaw h ARG 113 Ca -0.05 -0.38 -0.12 0.00 -0.81 0.00 0.00 59.98 58.62 3kaw h ARG 113 Cb 1.29 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 3kaw h ARG 113 CO 0.13 0.99 -0.47 0.93 -1.51 0.00 0.00 179.97 180.05 3kaw h GLU 114 N 0.47 0.20 -0.21 0.20 5.08 -1.08 -0.86 114.58 118.38 3kaw h GLU 114 Ca 0.01 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3kaw h GLU 114 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3kaw h GLU 114 CO 0.10 0.63 0.04 0.00 -1.00 0.00 0.00 179.01 178.79 3kaw h ALA 116 N 0.85 0.44 -0.76 0.00 0.00 -1.43 -2.08 119.26 116.28 3kaw h ALA 116 Ca 0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3kaw h ALA 116 Cb 0.31 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3kaw h ALA 116 CO 0.00 0.59 0.30 0.78 0.00 0.00 0.00 179.25 180.93 3kaw h GLY 117 N 0.58 1.23 1.28 0.00 0.00 -1.14 -0.51 103.07 104.51 3kaw h GLY 117 Ca 0.02 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 46.57 3kaw h GLY 117 CO 0.10 0.63 -0.18 0.00 0.00 0.00 0.00 176.54 177.10 3kaw h ALA 118 N 1.15 0.87 0.36 3.60 0.00 -1.13 -0.45 119.26 123.66 3kaw h ALA 118 Ca 0.25 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3kaw h ALA 118 Cb 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kaw h ALA 118 CO -0.02 0.63 -0.17 0.00 0.00 0.00 0.00 179.25 179.69 3kaw h ARG 120 N -0.66 0.19 -0.16 0.00 3.08 -1.07 -1.08 114.38 114.67 3kaw h ARG 120 Ca -0.05 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 3kaw h ARG 120 Cb 0.47 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3kaw h ARG 120 CO 0.08 0.26 -0.40 0.00 -1.07 0.00 0.00 179.97 178.84 3kaw h ARG 121 N 0.19 0.37 -0.26 0.04 3.08 -0.88 -1.77 114.38 115.14 3kaw h ARG 121 Ca 0.04 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 59.79 3kaw h ARG 121 Cb 0.22 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3kaw h ARG 121 CO 0.01 0.71 -0.32 0.35 -1.07 0.00 0.00 179.97 179.65 3kaw h PHE 122 N 0.31 0.83 0.44 3.04 3.57 -0.40 -2.74 116.94 121.99 3kaw h PHE 122 Ca 0.03 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 3kaw h PHE 122 Cb 0.84 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 3kaw h PHE 122 CO 0.02 1.01 -0.34 0.28 -2.23 0.00 0.00 178.31 177.05 3kaw h VAL 123 N 0.40 0.30 -0.41 1.41 2.07 -0.99 -2.21 116.25 116.82 3kaw h VAL 123 Ca 0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.64 3kaw h VAL 123 Cb 0.90 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3kaw h VAL 123 CO 0.08 0.00 0.28 1.05 0.02 0.00 0.00 177.57 179.00 3kaw h GLU 124 N -0.78 0.19 0.00 1.57 4.11 -1.39 0.22 114.58 118.51 3kaw h GLU 124 Ca -0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.38 3kaw h GLU 124 Cb 0.66 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3kaw h GLU 124 CO 0.00 0.13 0.00 0.00 0.07 0.00 0.00 179.01 179.21 3kaw h ALA 125 N 1.79 1.00 0.00 1.06 0.00 -1.12 -3.00 119.26 118.99 3kaw h ALA 125 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 3kaw h ALA 125 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3kaw h ALA 125 CO -0.03 0.00 -1.00 0.00 0.00 0.00 0.00 179.25 178.22 3kaw n ARG 127 N -3.31 -0.30 0.05 0.00 1.74 -1.10 0.19 116.66 113.92 3kaw n ARG 127 Ca -0.01 1.49 0.04 0.00 -0.77 0.00 0.00 57.85 58.61 3kaw n ARG 127 Cb 0.93 -2.21 0.21 0.00 -1.02 0.00 0.00 32.46 30.37 3kaw n ARG 127 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3kaw n PRO 128 N -5.36 0.05 -0.09 5.56 -0.04 -1.26 -2.51 135.00 131.34 3kaw n PRO 128 Ca 0.07 0.49 -0.11 0.00 -0.04 0.00 0.00 63.50 63.91 3kaw n PRO 128 Cb 0.34 -1.63 -0.12 0.00 -0.04 0.00 0.00 33.50 32.05 3kaw n PRO 128 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3kaw n LEU 129 N -1.72 1.10 0.00 1.53 4.77 0.13 -5.08 117.00 117.72 3kaw n LEU 129 Ca 0.00 -0.04 0.07 0.00 -0.03 0.00 0.00 56.01 56.01 3kaw n LEU 129 Cb 0.05 -0.02 0.40 0.00 -2.33 0.00 0.00 43.42 41.52 3kaw n LEU 129 CO 0.05 0.58 0.61 0.18 -1.33 0.00 0.00 177.39 177.49