#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cak s LEU 3 N 0.00 3.17 -0.25 0.00 1.43 -1.26 -4.92 118.68 116.85 2cak s LEU 3 Ca 0.00 1.18 -0.29 0.00 -1.03 0.00 0.00 54.13 53.99 2cak s LEU 3 Cb 0.00 -4.11 -0.00 0.00 0.03 0.00 0.00 46.19 42.11 2cak s LEU 3 CO 0.00 -1.01 1.24 -0.62 0.23 0.00 0.00 176.35 176.19 2cak s ASP 4 N -4.24 6.84 -0.12 2.29 2.15 -0.21 -4.78 116.67 118.61 2cak s ASP 4 Ca 0.55 1.38 0.15 0.00 0.43 0.00 0.00 52.55 55.05 2cak s ASP 4 Cb -0.11 -2.54 0.33 0.00 -0.30 0.00 0.00 42.92 40.30 2cak s ASP 4 CO 0.51 -0.90 1.16 0.35 -0.17 0.00 0.00 175.17 176.12 2cak n THR 5 N 5.78 1.37 -3.80 1.71 -2.24 -1.26 -1.38 114.28 114.47 2cak n THR 5 Ca 0.14 -2.08 -0.36 0.00 -2.27 0.00 0.00 64.05 59.48 2cak n THR 5 Cb 0.46 0.12 -0.13 0.00 -2.10 0.00 0.00 70.33 68.68 2cak n THR 5 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2cak s THR 6 N -2.03 4.01 0.05 4.28 2.01 -1.26 -5.03 115.64 117.68 2cak s THR 6 Ca 0.30 -0.32 0.09 0.00 0.31 0.00 0.00 61.69 62.08 2cak s THR 6 Cb 0.30 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 2cak s THR 6 CO -0.05 0.33 -0.26 0.26 -0.69 0.00 0.00 174.62 174.21 2cak s TRP 7 N 1.57 2.24 0.41 4.92 0.52 -1.26 -4.62 118.94 122.72 2cak s TRP 7 Ca 0.06 -0.40 0.07 0.00 0.02 0.00 0.00 56.10 55.84 2cak s TRP 7 Cb -0.15 -1.33 -0.07 0.00 -1.15 0.00 0.00 33.47 30.78 2cak s TRP 7 CO 0.02 0.14 0.09 0.15 0.02 0.00 0.00 176.95 177.37 2cak s LYS 8 N -1.32 2.09 -0.04 4.98 1.02 -0.09 -4.95 119.74 121.43 2cak s LYS 8 Ca 0.11 -1.99 0.06 0.00 0.02 0.00 0.00 55.97 54.18 2cak s LYS 8 Cb -0.10 -1.80 -0.01 0.00 -0.52 0.00 0.00 37.83 35.40 2cak s LYS 8 CO 0.02 -0.09 -0.23 -1.21 -0.92 0.00 0.00 175.35 172.92 2cak s GLU 9 N -3.80 2.16 0.04 1.68 0.41 -1.26 -1.21 118.70 116.72 2cak s GLU 9 Ca 0.38 -0.84 0.05 0.00 -0.41 0.00 0.00 54.97 54.14 2cak s GLU 9 Cb 0.07 -1.95 -0.02 0.00 -1.78 0.00 0.00 34.13 30.45 2cak s GLU 9 CO 0.20 0.43 -0.15 0.00 -0.49 0.00 0.00 175.26 175.25 2cak s ALA 10 N -0.32 1.23 0.80 5.21 0.00 0.09 -4.89 121.76 123.87 2cak s ALA 10 Ca 0.02 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 2cak s ALA 10 Cb -0.11 -0.20 0.07 0.00 0.00 0.00 0.00 23.12 22.88 2cak s ALA 10 CO 0.01 0.24 1.16 0.95 0.00 0.00 0.00 175.76 178.12 2cak s THR 11 N -0.85 2.29 0.15 0.00 -4.23 -1.26 -0.68 115.64 111.05 2cak s THR 11 Ca 0.02 0.09 -0.16 0.00 -1.18 0.00 0.00 61.69 60.46 2cak s THR 11 Cb -0.08 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.69 2cak s THR 11 CO 0.01 -0.12 1.78 0.25 -0.54 0.00 0.00 174.62 176.00 2cak h LEU 12 N -1.02 0.46 -1.76 4.79 5.85 -1.98 -0.52 115.31 121.13 2cak h LEU 12 Ca -0.46 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 2cak h LEU 12 Cb 1.32 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2cak h LEU 12 CO 0.65 0.38 -0.04 -0.65 -0.34 0.00 0.00 178.44 178.44 2cak h PRO 13 N 0.51 0.09 -0.46 5.25 0.11 -1.98 -1.30 132.00 134.22 2cak h PRO 13 Ca 0.14 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.10 2cak h PRO 13 Cb 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2cak h PRO 13 CO -0.03 0.15 -0.25 1.96 -0.21 0.00 0.00 178.00 179.62 2cak h GLN 14 N 0.09 0.97 -0.24 1.05 4.20 -1.75 -1.52 115.11 117.91 2cak h GLN 14 Ca 0.02 -0.43 0.02 0.00 0.06 0.00 0.00 58.65 58.32 2cak h GLN 14 Cb 0.14 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2cak h GLN 14 CO 0.01 1.10 0.10 0.28 -0.67 0.00 0.00 178.83 179.65 2cak h VAL 15 N 0.83 0.97 -0.97 -0.54 2.07 -0.43 -1.53 116.25 116.65 2cak h VAL 15 Ca 0.10 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2cak h VAL 15 Cb 0.83 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 2cak h VAL 15 CO 0.07 0.04 0.64 0.11 0.02 0.00 0.00 177.57 178.46 2cak h LYS 16 N 0.23 1.29 -0.51 1.57 1.79 -1.17 -0.89 116.57 118.87 2cak h LYS 16 Ca 0.10 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 2cak h LYS 16 Cb 0.04 -0.29 -0.02 0.00 -1.58 0.00 0.00 32.23 30.38 2cak h LYS 16 CO -0.08 0.85 0.10 0.00 -1.08 0.00 0.00 179.45 179.24 2cak h ALA 17 N 1.39 1.22 -0.17 3.86 0.00 -0.94 -2.92 119.26 121.69 2cak h ALA 17 Ca 0.36 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 2cak h ALA 17 Cb -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2cak h ALA 17 CO -0.08 0.53 -0.69 0.52 0.00 0.00 0.00 179.25 179.53 2cak h MET 18 N 0.76 0.71 -0.23 0.00 2.86 -0.49 -3.20 114.93 115.34 2cak h MET 18 Ca 0.16 -0.53 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 2cak h MET 18 Cb 0.32 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2cak h MET 18 CO 0.00 1.15 0.12 -0.07 1.06 0.00 0.00 176.91 179.17 2cak h LEU 19 N 0.51 0.27 0.00 1.22 3.38 -1.00 -0.91 115.31 118.78 2cak h LEU 19 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2cak h LEU 19 Cb 1.30 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2cak h LEU 19 CO 0.14 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.90 2cak n GLN 20 N -4.47 0.31 -0.34 1.13 3.00 -1.16 -3.34 117.38 112.51 2cak n GLN 20 Ca 0.00 0.09 0.11 0.00 -0.01 0.00 0.00 57.00 57.20 2cak n GLN 20 Cb 0.10 -1.50 0.30 0.00 0.00 0.00 0.00 30.24 29.14 2cak n GLN 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2cak n LYS 21 N -1.26 2.73 -1.98 -1.09 4.76 -0.34 -4.90 118.16 116.08 2cak n LYS 21 Ca 0.10 -2.58 -0.42 0.00 -2.87 0.00 0.00 58.31 52.54 2cak n LYS 21 Cb 0.15 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 31.78 2cak n LYS 21 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2cak s ASP 22 N -1.02 6.64 -0.04 4.39 -1.08 -1.21 -4.82 116.67 119.52 2cak s ASP 22 Ca 0.46 2.53 0.17 0.00 -0.52 0.00 0.00 52.55 55.18 2cak s ASP 22 Cb 0.24 -2.59 0.55 0.00 -1.46 0.00 0.00 42.92 39.66 2cak s ASP 22 CO 0.31 -0.80 1.45 0.35 0.52 0.00 0.00 175.17 177.00 2cak n THR 23 N 4.10 1.12 -2.19 1.71 -2.24 -0.60 -4.95 114.28 111.22 2cak n THR 23 Ca 0.14 -0.87 -0.27 0.00 -2.27 0.00 0.00 64.05 60.78 2cak n THR 23 Cb 0.40 0.23 0.05 0.00 -2.10 0.00 0.00 70.33 68.91 2cak n THR 23 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2cak s GLY 24 N -0.91 1.64 -0.12 3.38 0.00 -1.26 -4.70 107.32 105.34 2cak s GLY 24 Ca 0.40 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.43 2cak s GLY 24 CO 0.24 -0.36 -0.21 1.25 0.00 0.00 0.00 173.10 174.01 2cak s LYS 25 N -5.20 3.09 0.05 2.90 2.47 0.17 -4.89 119.74 118.34 2cak s LYS 25 Ca 0.58 -0.84 -0.21 0.00 -1.56 0.00 0.00 55.97 53.94 2cak s LYS 25 Cb -0.11 -2.42 -0.06 0.00 -1.46 0.00 0.00 37.83 33.78 2cak s LYS 25 CO 0.46 0.10 0.63 0.08 0.16 0.00 0.00 175.35 176.77 2cak s VAL 26 N 0.56 4.75 -0.09 4.02 1.01 -1.26 -0.93 120.40 128.46 2cak s VAL 26 Ca -0.12 1.33 -0.03 0.00 0.00 0.00 0.00 61.98 63.16 2cak s VAL 26 Cb -0.17 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.29 2cak s VAL 26 CO 0.04 0.48 0.09 -0.55 0.00 0.00 0.00 175.10 175.16 2cak s SER 27 N -0.68 1.50 1.79 3.32 0.15 -0.49 -5.01 113.70 114.28 2cak s SER 27 Ca 0.32 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2cak s SER 27 Cb -0.20 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 2cak s SER 27 CO 0.20 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2cak n GLY 28 N 5.30 3.94 1.68 9.45 0.00 -1.26 -1.71 105.19 122.59 2cak n GLY 28 Ca -0.05 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 2cak n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2cak n ASP 29 N 6.98 3.47 -4.31 1.61 2.03 -1.26 -4.94 116.55 120.13 2cak n ASP 29 Ca 0.00 -3.73 -0.30 0.00 0.52 0.00 0.00 54.79 51.28 2cak n ASP 29 Cb 0.00 -0.72 -0.15 0.00 -0.72 0.00 0.00 41.12 39.53 2cak n ASP 29 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2cak s THR 30 N -3.48 2.00 -0.19 5.18 2.01 -0.69 -1.74 115.64 118.72 2cak s THR 30 Ca 0.51 -1.22 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 2cak s THR 30 Cb 0.44 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 71.27 2cak s THR 30 CO 0.04 0.43 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.58 2cak s VAL 31 N -0.70 2.70 -0.17 3.82 1.01 0.20 -1.40 120.40 125.86 2cak s VAL 31 Ca 0.10 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 2cak s VAL 31 Cb -0.10 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2cak s VAL 31 CO 0.01 0.49 -0.02 -0.89 0.00 0.00 0.00 175.10 174.69 2cak s THR 32 N 1.28 3.96 0.15 3.92 2.01 -0.10 -0.86 115.64 125.99 2cak s THR 32 Ca 0.03 -0.33 0.05 0.00 0.31 0.00 0.00 61.69 61.76 2cak s THR 32 Cb -0.14 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 2cak s THR 32 CO -0.07 0.47 0.07 -0.31 -0.69 0.00 0.00 174.62 174.09 2cak s TYR 33 N 0.59 3.04 0.01 4.92 1.51 -0.42 -0.65 117.35 126.35 2cak s TYR 33 Ca -0.02 -0.04 -0.10 0.00 -1.01 0.00 0.00 57.07 55.90 2cak s TYR 33 Cb -0.14 -1.49 0.01 0.00 -0.11 0.00 0.00 41.96 40.23 2cak s TYR 33 CO 0.02 0.51 0.20 -1.54 -1.11 0.00 0.00 175.55 173.64 2cak s SER 34 N -2.85 -0.03 0.00 2.29 1.04 -1.26 -4.29 113.70 108.60 2cak s SER 34 Ca 0.29 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2cak s SER 34 Cb -0.10 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2cak s SER 34 CO 0.21 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2cak n GLY 35 N 1.14 0.87 0.17 7.32 0.00 -1.26 -4.76 105.19 108.67 2cak n GLY 35 Ca -0.21 -2.16 -0.17 0.00 0.00 0.00 0.00 46.02 43.47 2cak n GLY 35 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2cak h LYS 36 N 0.00 0.54 -4.67 1.61 1.63 -1.96 -3.43 116.57 110.29 2cak h LYS 36 Ca 0.00 -0.61 -0.59 0.00 -0.85 0.00 0.00 60.65 58.61 2cak h LYS 36 Cb 0.00 0.18 -0.35 0.00 -0.60 0.00 0.00 32.23 31.45 2cak h LYS 36 CO 0.00 1.22 -0.83 0.99 -3.45 0.00 0.00 179.45 177.38 2cak s THR 37 N -3.24 1.48 0.12 1.00 2.01 -1.26 -1.19 115.64 114.56 2cak s THR 37 Ca -0.08 -0.61 0.09 0.00 0.31 0.00 0.00 61.69 61.41 2cak s THR 37 Cb 0.08 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 2cak s THR 37 CO 0.90 0.44 -0.18 0.68 -0.69 0.00 0.00 174.62 175.77 2cak s VAL 38 N 1.22 2.84 -0.25 3.82 -7.23 -0.21 -4.97 120.40 115.62 2cak s VAL 38 Ca -0.02 -1.50 0.03 0.00 -1.81 0.00 0.00 61.98 58.68 2cak s VAL 38 Cb -0.14 -2.30 0.06 0.00 0.56 0.00 0.00 36.38 34.56 2cak s VAL 38 CO -0.05 0.10 -0.11 -1.00 -0.31 0.00 0.00 175.10 173.73 2cak s HIS 39 N -1.14 3.16 -0.22 2.82 3.76 -1.26 -1.11 115.29 121.30 2cak s HIS 39 Ca 0.18 -2.25 -0.15 0.00 -0.15 0.00 0.00 55.06 52.69 2cak s HIS 39 Cb -0.11 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.65 2cak s HIS 39 CO 0.10 -0.87 0.37 0.08 -0.85 0.00 0.00 174.74 173.58 2cak s VAL 40 N 1.14 5.21 -0.25 -0.90 1.01 -0.44 -1.56 120.40 124.61 2cak s VAL 40 Ca -0.08 0.63 0.02 0.00 0.00 0.00 0.00 61.98 62.55 2cak s VAL 40 Cb -0.20 -3.70 0.06 0.00 0.00 0.00 0.00 36.38 32.54 2cak s VAL 40 CO -0.05 0.24 -0.09 -0.69 0.00 0.00 0.00 175.10 174.51 2cak s VAL 41 N 1.45 1.91 0.02 2.92 1.01 -1.26 -0.99 120.40 125.46 2cak s VAL 41 Ca 0.17 -1.47 0.06 0.00 0.00 0.00 0.00 61.98 60.74 2cak s VAL 41 Cb -0.15 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2cak s VAL 41 CO 0.08 -0.05 -0.16 0.00 0.00 0.00 0.00 175.10 174.97 2cak s ALA 42 N 1.22 2.67 0.05 5.51 0.00 -0.02 -4.06 121.76 127.13 2cak s ALA 42 Ca -0.08 -1.13 0.06 0.00 0.00 0.00 0.00 51.96 50.82 2cak s ALA 42 Cb -0.19 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 2cak s ALA 42 CO -0.06 0.58 -0.18 0.00 0.00 0.00 0.00 175.76 176.10 2cak s ALA 43 N -0.90 1.52 -0.41 0.00 0.00 -0.18 -1.18 121.76 120.62 2cak s ALA 43 Ca 0.14 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 50.91 2cak s ALA 43 Cb -0.11 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.77 2cak s ALA 43 CO 0.05 0.31 0.58 0.00 0.00 0.00 0.00 175.76 176.70 2cak s ALA 44 N -0.90 3.40 -0.60 0.00 0.00 -0.65 -0.50 121.76 122.50 2cak s ALA 44 Ca 0.05 -1.19 -0.14 0.00 0.00 0.00 0.00 51.96 50.67 2cak s ALA 44 Cb -0.09 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.87 2cak s ALA 44 CO 0.02 -1.59 0.64 0.28 0.00 0.00 0.00 175.76 175.11 2cak n VAL 45 N 5.67 -7.25 -1.84 0.00 0.31 -0.62 -2.95 118.33 111.65 2cak n VAL 45 Ca -0.03 0.20 -0.37 0.00 -0.01 0.00 0.00 64.34 64.13 2cak n VAL 45 Cb 0.48 -5.25 0.05 0.00 -0.91 0.00 0.00 33.84 28.22 2cak n VAL 45 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2cak s LEU 46 N -3.46 3.64 0.12 7.52 1.43 -1.26 -4.20 118.68 122.47 2cak s LEU 46 Ca 0.17 2.57 -0.35 0.00 -1.03 0.00 0.00 54.13 55.48 2cak s LEU 46 Cb -0.03 -4.57 -0.15 0.00 0.03 0.00 0.00 46.19 41.47 2cak s LEU 46 CO 0.82 -1.82 1.52 -2.65 0.23 0.00 0.00 176.35 174.44 2cak n PRO 47 N -1.70 1.82 0.00 1.29 -0.02 -1.26 -1.72 135.00 133.41 2cak n PRO 47 Ca 0.15 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2cak n PRO 47 Cb 0.48 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 2cak n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cak n GLY 48 N 3.18 1.55 3.91 -1.23 0.00 -1.26 -5.06 105.19 106.28 2cak n GLY 48 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 2cak n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cak s PHE 49 N -2.40 3.52 0.37 1.61 0.08 -0.70 -5.03 117.98 115.43 2cak s PHE 49 Ca 0.00 0.66 -0.28 0.00 0.12 0.00 0.00 56.93 57.43 2cak s PHE 49 Cb 0.00 -2.16 -0.11 0.00 -0.57 0.00 0.00 43.02 40.19 2cak s PHE 49 CO 0.00 -0.06 1.44 -2.14 -0.10 0.00 0.00 175.22 174.35 2cak s PRO 50 N -4.32 4.14 0.07 0.24 0.02 -1.26 -4.85 135.00 129.04 2cak s PRO 50 Ca 0.45 2.47 -0.22 0.00 0.02 0.00 0.00 61.00 63.72 2cak s PRO 50 Cb -0.10 -2.97 -0.06 0.00 0.02 0.00 0.00 34.50 31.38 2cak s PRO 50 CO 0.38 -0.47 0.66 0.12 -0.33 0.00 0.00 177.00 177.36 2cak s PHE 51 N -1.13 3.79 0.00 6.54 2.19 -1.26 -3.07 117.98 125.03 2cak s PHE 51 Ca 0.52 1.38 -0.16 0.00 0.33 0.00 0.00 56.93 59.00 2cak s PHE 51 Cb -0.45 -2.64 -0.06 0.00 -1.31 0.00 0.00 43.02 38.57 2cak s PHE 51 CO 0.60 0.46 0.43 -1.25 1.83 0.00 0.00 175.22 177.30 2cak s PRO 52 N -0.73 3.99 0.14 10.12 0.04 -1.26 -5.09 135.00 142.20 2cak s PRO 52 Ca 0.33 0.46 -0.23 0.00 0.04 0.00 0.00 61.00 61.59 2cak s PRO 52 Cb -0.20 -3.24 0.07 0.00 0.04 0.00 0.00 34.50 31.16 2cak s PRO 52 CO 0.21 0.65 0.59 -1.54 0.04 0.00 0.00 177.00 176.94 2cak s SER 53 N -0.96 -0.54 -0.03 6.66 1.04 -1.18 -3.79 113.70 114.91 2cak s SER 53 Ca 0.25 0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.70 2cak s SER 53 Cb -0.17 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 2cak s SER 53 CO 0.14 -0.92 0.09 -0.36 0.98 0.00 0.00 173.24 173.17 2cak s PHE 54 N -3.50 3.34 -0.11 5.02 0.08 -1.26 -1.59 117.98 119.97 2cak s PHE 54 Ca -0.00 0.26 0.02 0.00 0.12 0.00 0.00 56.93 57.33 2cak s PHE 54 Cb -0.01 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 2cak s PHE 54 CO -0.11 0.58 -0.17 -1.21 -0.10 0.00 0.00 175.22 174.21 2cak s GLU 55 N -1.58 3.18 -0.07 0.44 8.01 0.34 -0.20 118.70 128.82 2cak s GLU 55 Ca 0.21 -0.75 0.01 0.00 0.01 0.00 0.00 54.97 54.45 2cak s GLU 55 Cb -0.12 -2.49 0.02 0.00 -4.31 0.00 0.00 34.13 27.23 2cak s GLU 55 CO 0.12 0.24 -0.07 0.08 0.01 0.00 0.00 175.26 175.64 2cak s VAL 56 N 0.24 0.83 -1.54 2.63 1.01 -0.65 -1.01 120.40 121.91 2cak s VAL 56 Ca -0.11 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 2cak s VAL 56 Cb -0.16 -0.84 0.09 0.00 0.00 0.00 0.00 36.38 35.47 2cak s VAL 56 CO 0.06 0.31 0.96 1.57 0.00 0.00 0.00 175.10 178.00 2cak n HIS 57 N 4.38 -2.26 -1.60 5.22 -0.00 -1.26 -2.02 115.22 117.68 2cak n HIS 57 Ca -0.18 0.90 -0.17 0.00 -0.00 0.00 0.00 57.72 58.26 2cak n HIS 57 Cb 0.51 -3.93 -0.06 0.00 -0.00 0.00 0.00 29.99 26.51 2cak n HIS 57 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2cak n GLY 58 N -1.68 1.43 3.46 1.57 0.00 -1.26 -5.01 105.19 103.70 2cak n GLY 58 Ca 0.03 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2cak n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cak s LYS 59 N -3.62 1.87 -0.17 1.61 -0.14 -0.86 -5.11 119.74 113.33 2cak s LYS 59 Ca 0.00 -1.11 -0.25 0.00 -1.36 0.00 0.00 55.97 53.25 2cak s LYS 59 Cb 0.00 -2.12 -0.02 0.00 -1.68 0.00 0.00 37.83 34.01 2cak s LYS 59 CO 0.00 0.50 0.82 0.21 -0.76 0.00 0.00 175.35 176.12 2cak s LYS 60 N -1.81 4.30 -1.49 1.68 2.20 -1.26 -1.64 119.74 121.72 2cak s LYS 60 Ca 0.16 1.00 -0.03 0.00 -0.36 0.00 0.00 55.97 56.74 2cak s LYS 60 Cb -0.10 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 2cak s LYS 60 CO 0.07 -0.31 0.15 0.09 -0.36 0.00 0.00 175.35 174.99 2cak n ASN 61 N 5.18 0.21 -4.80 1.43 3.02 0.72 -4.90 115.26 116.11 2cak n ASN 61 Ca 0.04 -1.22 -0.33 0.00 -0.03 0.00 0.00 54.58 53.04 2cak n ASN 61 Cb 0.49 -1.93 0.01 0.00 -0.61 0.00 0.00 39.78 37.74 2cak n ASN 61 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2cak s PRO 62 N -7.20 3.33 0.06 3.52 0.04 -1.26 -4.69 135.00 128.80 2cak s PRO 62 Ca 0.05 1.23 -0.31 0.00 0.04 0.00 0.00 61.00 62.01 2cak s PRO 62 Cb -0.02 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 2cak s PRO 62 CO 0.97 -0.81 1.23 0.99 0.04 0.00 0.00 177.00 179.42 2cak s THR 63 N -2.40 3.95 -0.20 1.26 2.01 -0.71 -4.20 115.64 115.35 2cak s THR 63 Ca 0.64 1.39 -0.09 0.00 0.31 0.00 0.00 61.69 63.94 2cak s THR 63 Cb -0.16 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 2cak s THR 63 CO 0.36 0.10 0.11 -0.76 -0.69 0.00 0.00 174.62 173.74 2cak s LEU 64 N 1.18 4.06 -0.26 4.42 1.43 -0.23 -0.63 118.68 128.65 2cak s LEU 64 Ca 0.59 0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 53.79 2cak s LEU 64 Cb -0.30 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 43.87 2cak s LEU 64 CO 0.29 0.15 0.04 -1.81 0.23 0.00 0.00 176.35 175.25 2cak s ASP 65 N 0.50 4.88 -0.06 2.29 1.11 -0.04 -0.50 116.67 124.85 2cak s ASP 65 Ca 0.06 -0.54 0.05 0.00 0.18 0.00 0.00 52.55 52.31 2cak s ASP 65 Cb -0.12 -1.84 -0.01 0.00 1.07 0.00 0.00 42.92 42.02 2cak s ASP 65 CO -0.00 -0.11 -0.23 -0.63 1.18 0.00 0.00 175.17 175.37 2cak s ILE 66 N 1.51 2.21 0.46 0.77 1.01 -0.23 -1.31 121.20 125.62 2cak s ILE 66 Ca 0.04 -1.01 -0.22 0.00 0.00 0.00 0.00 60.65 59.46 2cak s ILE 66 Cb -0.16 -1.82 -0.08 0.00 0.01 0.00 0.00 42.46 40.42 2cak s ILE 66 CO 0.01 0.57 1.11 -2.16 0.00 0.00 0.00 174.94 174.47 2cak s PRO 67 N -0.15 3.82 0.37 2.79 0.04 -1.26 -1.81 135.00 138.80 2cak s PRO 67 Ca -0.04 1.62 -0.28 0.00 0.04 0.00 0.00 61.00 62.34 2cak s PRO 67 Cb -0.14 -2.34 -0.11 0.00 0.04 0.00 0.00 34.50 31.96 2cak s PRO 67 CO 0.04 -0.46 1.44 0.20 0.04 0.00 0.00 177.00 178.26 2cak s GLY 68 N -1.57 2.95 0.00 0.56 0.00 -1.06 -2.57 107.32 105.63 2cak s GLY 68 Ca 0.64 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.86 2cak s GLY 68 CO 0.29 2.17 0.00 0.61 0.00 0.00 0.00 173.10 176.17 2cak n GLY 69 N 0.54 1.79 3.81 0.20 0.00 -1.26 -5.02 105.19 105.24 2cak n GLY 69 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2cak n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cak s ALA 70 N -2.93 2.86 -0.12 4.61 0.00 -1.06 -5.02 121.76 120.11 2cak s ALA 70 Ca 0.00 0.47 -0.26 0.00 0.00 0.00 0.00 51.96 52.17 2cak s ALA 70 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 2cak s ALA 70 CO 0.00 -0.44 0.84 0.99 0.00 0.00 0.00 175.76 177.15 2cak s THR 71 N -2.24 4.91 -0.28 0.00 2.01 -0.33 -4.51 115.64 115.19 2cak s THR 71 Ca 0.65 1.70 -0.06 0.00 0.31 0.00 0.00 61.69 64.28 2cak s THR 71 Cb -0.15 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.21 2cak s THR 71 CO 0.27 0.09 0.06 -0.69 -0.69 0.00 0.00 174.62 173.66 2cak s VAL 72 N 1.68 3.89 -0.38 3.82 1.01 -0.36 -1.04 120.40 129.01 2cak s VAL 72 Ca 0.41 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 2cak s VAL 72 Cb -0.18 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2cak s VAL 72 CO 0.16 0.14 0.30 -1.81 0.00 0.00 0.00 175.10 173.90 2cak s ASP 73 N 1.50 6.11 -0.17 3.32 1.01 -0.26 -0.74 116.67 127.44 2cak s ASP 73 Ca 0.03 -0.61 -0.07 0.00 0.71 0.00 0.00 52.55 52.62 2cak s ASP 73 Cb -0.17 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 2cak s ASP 73 CO 0.02 -0.37 0.05 -0.69 0.21 0.00 0.00 175.17 174.39 2cak s VAL 74 N 1.79 4.72 -0.16 -1.27 1.01 -0.05 -1.33 120.40 125.11 2cak s VAL 74 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 2cak s VAL 74 Cb -0.18 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 2cak s VAL 74 CO 0.11 0.49 -0.09 -0.89 0.00 0.00 0.00 175.10 174.71 2cak s THR 75 N 0.15 3.27 -0.11 3.92 2.01 -0.16 -1.19 115.64 123.52 2cak s THR 75 Ca 0.04 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.50 2cak s THR 75 Cb -0.12 -2.41 0.01 0.00 0.01 0.00 0.00 72.50 69.98 2cak s THR 75 CO 0.01 0.50 -0.22 0.12 -0.69 0.00 0.00 174.62 174.34 2cak s PHE 76 N 0.62 2.48 -0.07 4.92 5.36 -0.35 -0.84 117.98 130.11 2cak s PHE 76 Ca -0.05 -1.12 0.04 0.00 -0.96 0.00 0.00 56.93 54.83 2cak s PHE 76 Cb -0.15 -1.69 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 2cak s PHE 76 CO 0.03 -0.49 -0.20 0.42 -1.46 0.00 0.00 175.22 173.51 2cak s ILE 77 N 0.61 1.70 -0.46 3.12 1.01 -0.32 -1.56 121.20 125.29 2cak s ILE 77 Ca -0.13 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 2cak s ILE 77 Cb -0.17 -1.47 0.08 0.00 0.01 0.00 0.00 42.46 40.91 2cak s ILE 77 CO 0.03 0.48 0.37 0.21 0.00 0.00 0.00 174.94 176.03 2cak s ASN 78 N 0.24 6.02 0.00 3.58 3.04 -0.55 -1.64 114.94 125.62 2cak s ASN 78 Ca -0.11 -1.40 0.24 0.00 0.04 0.00 0.00 52.86 51.62 2cak s ASN 78 Cb -0.15 -2.13 0.50 0.00 -1.54 0.00 0.00 41.25 37.92 2cak s ASN 78 CO 0.05 -0.63 1.43 0.35 -3.04 0.00 0.00 177.10 175.26 2cak n THR 79 N 5.13 0.24 -3.34 -5.21 -2.24 -1.15 -4.10 114.28 103.61 2cak n THR 79 Ca -0.12 -0.54 -0.43 0.00 -2.27 0.00 0.00 64.05 60.69 2cak n THR 79 Cb 0.43 0.95 -0.09 0.00 -2.10 0.00 0.00 70.33 69.53 2cak n THR 79 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2cak s ASN 80 N -1.71 6.17 0.27 3.42 2.47 -1.19 -4.84 114.94 119.53 2cak s ASN 80 Ca 0.34 -0.85 -0.30 0.00 0.42 0.00 0.00 52.86 52.47 2cak s ASN 80 Cb 0.21 -2.21 -0.13 0.00 -1.45 0.00 0.00 41.25 37.67 2cak s ASN 80 CO 0.30 -0.60 1.46 0.29 -3.72 0.00 0.00 177.10 174.83 2cak n LYS 81 N 5.51 2.27 -0.10 0.43 5.02 -1.26 -3.10 118.16 126.94 2cak n LYS 81 Ca -0.09 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 2cak n LYS 81 Cb 0.46 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 2cak n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cak n GLY 82 N 1.97 1.18 3.08 0.72 0.00 -1.26 -5.02 105.19 105.85 2cak n GLY 82 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 2cak n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cak s PHE 83 N -2.53 0.97 -0.87 1.61 0.40 -1.18 -5.06 117.98 111.33 2cak s PHE 83 Ca 0.00 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 2cak s PHE 83 Cb 0.00 -0.60 0.31 0.00 0.51 0.00 0.00 43.02 43.24 2cak s PHE 83 CO 0.00 -0.00 1.33 0.41 0.70 0.00 0.00 175.22 177.66 2cak n GLY 84 N 2.29 5.53 3.71 4.36 0.00 -1.26 -4.52 105.19 115.30 2cak n GLY 84 Ca -0.16 -2.69 -0.33 0.00 0.00 0.00 0.00 46.02 42.83 2cak n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2cak s HIS 85 N -3.39 1.98 0.40 1.61 3.76 -1.26 -2.78 115.29 115.61 2cak s HIS 85 Ca 0.39 1.64 0.07 0.00 -0.15 0.00 0.00 55.06 57.01 2cak s HIS 85 Cb 0.17 -3.43 -0.07 0.00 1.11 0.00 0.00 32.58 30.36 2cak s HIS 85 CO -0.05 -2.62 0.07 -1.54 -0.85 0.00 0.00 174.74 169.75 2cak s SER 86 N -2.22 4.10 -0.24 1.40 1.04 -1.26 -2.13 113.70 114.39 2cak s SER 86 Ca 0.72 -1.23 -0.02 0.00 0.48 0.00 0.00 55.95 55.90 2cak s SER 86 Cb -0.27 -0.44 0.08 0.00 0.10 0.00 0.00 66.02 65.48 2cak s SER 86 CO 0.48 -0.46 0.06 0.12 0.98 0.00 0.00 173.24 174.42 2cak s PHE 87 N -2.65 1.17 -0.02 5.02 5.36 -1.26 -4.08 117.98 121.51 2cak s PHE 87 Ca 0.37 -1.12 0.03 0.00 -0.96 0.00 0.00 56.93 55.25 2cak s PHE 87 Cb 0.07 -1.21 -0.00 0.00 -0.34 0.00 0.00 43.02 41.53 2cak s PHE 87 CO 0.20 -0.71 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.62 2cak s ASP 88 N 1.81 1.52 -0.19 6.13 1.01 -0.40 -1.00 116.67 125.55 2cak s ASP 88 Ca 0.03 -0.24 -0.07 0.00 0.71 0.00 0.00 52.55 52.98 2cak s ASP 88 Cb -0.17 -0.33 -0.04 0.00 1.01 0.00 0.00 42.92 43.39 2cak s ASP 88 CO -0.16 0.12 0.06 -0.63 0.21 0.00 0.00 175.17 174.77 2cak s ILE 89 N -0.00 4.71 0.13 0.77 1.01 0.14 -0.84 121.20 127.12 2cak s ILE 89 Ca -0.01 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.60 2cak s ILE 89 Cb -0.08 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 2cak s ILE 89 CO 0.00 0.45 -0.03 0.28 0.00 0.00 0.00 174.94 175.65 2cak s THR 90 N 0.45 0.66 -1.76 2.92 -1.32 -0.34 -1.20 115.64 115.05 2cak s THR 90 Ca 0.03 -1.96 0.23 0.00 -1.21 0.00 0.00 61.69 58.79 2cak s THR 90 Cb -0.13 -1.90 0.03 0.00 -1.51 0.00 0.00 72.50 68.99 2cak s THR 90 CO 0.01 -0.67 1.20 0.00 -2.21 0.00 0.00 174.62 172.94 2cak n GLN 91 N -0.14 0.87 -2.18 7.08 6.02 -1.26 -0.82 117.38 126.95 2cak n GLN 91 Ca -0.09 -0.67 -0.39 0.00 -0.01 0.00 0.00 57.00 55.84 2cak n GLN 91 Cb 0.62 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.38 2cak n GLN 91 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2cak s LYS 92 N -2.59 4.02 0.15 -1.09 -0.14 -1.26 -4.89 119.74 113.93 2cak s LYS 92 Ca 0.18 1.98 0.04 0.00 -1.36 0.00 0.00 55.97 56.81 2cak s LYS 92 Cb 0.18 -2.72 -0.04 0.00 -1.68 0.00 0.00 37.83 33.57 2cak s LYS 92 CO 0.61 -0.39 0.20 0.14 -0.76 0.00 0.00 175.35 175.15 2cak s VAL 93 N -1.34 4.89 0.78 3.17 -7.23 -1.26 -4.67 120.40 114.74 2cak s VAL 93 Ca 0.57 -0.86 -0.11 0.00 -1.81 0.00 0.00 61.98 59.76 2cak s VAL 93 Cb -0.34 -3.49 0.06 0.00 0.56 0.00 0.00 36.38 33.17 2cak s VAL 93 CO 0.43 -0.08 1.11 -2.16 -0.31 0.00 0.00 175.10 174.09 2cak s PRO 94 N -3.09 2.14 0.41 4.82 0.04 -1.26 -4.49 135.00 133.57 2cak s PRO 94 Ca 0.33 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.41 2cak s PRO 94 Cb -0.11 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 2cak s PRO 94 CO 0.26 -1.75 1.01 -1.25 0.04 0.00 0.00 177.00 175.31 2cak s PRO 95 N -4.73 4.17 -0.01 0.56 0.04 -1.26 -5.16 135.00 128.61 2cak s PRO 95 Ca 0.63 1.38 -0.16 0.00 0.04 0.00 0.00 61.00 62.90 2cak s PRO 95 Cb -0.19 -2.43 -0.06 0.00 0.04 0.00 0.00 34.50 31.87 2cak s PRO 95 CO 0.54 -0.11 0.43 0.71 0.04 0.00 0.00 177.00 178.62 2cak s TYR 96 N -1.81 3.70 1.01 0.56 2.02 -1.26 -5.09 117.35 116.47 2cak s TYR 96 Ca 0.59 1.00 -0.13 0.00 -0.37 0.00 0.00 57.07 58.17 2cak s TYR 96 Cb -0.18 -2.35 0.19 0.00 -0.40 0.00 0.00 41.96 39.22 2cak s TYR 96 CO 0.23 0.55 1.10 0.00 -1.57 0.00 0.00 175.55 175.86 2cak s ALA 97 N -0.78 0.92 0.24 3.71 0.00 -1.26 -4.10 121.76 120.49 2cak s ALA 97 Ca 0.24 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.74 2cak s ALA 97 Cb -0.17 -3.10 0.24 0.00 0.00 0.00 0.00 23.12 20.09 2cak s ALA 97 CO 0.13 -2.88 1.90 0.28 0.00 0.00 0.00 175.76 175.20 2cak h VAL 98 N -1.93 1.26 -3.58 0.00 2.07 -1.97 -3.16 116.25 108.94 2cak h VAL 98 Ca -0.55 -0.53 -0.72 0.00 0.82 0.00 0.00 66.70 65.73 2cak h VAL 98 Cb 1.33 -0.14 -0.33 0.00 -1.52 0.00 0.00 31.29 30.63 2cak h VAL 98 CO 0.58 0.26 -0.22 -0.04 0.02 0.00 0.00 177.57 178.18 2cak s MET 99 N -6.03 2.91 0.38 1.57 -1.94 -1.26 -1.22 119.30 113.71 2cak s MET 99 Ca -0.13 -2.65 -0.26 0.00 -1.71 0.00 0.00 55.69 50.95 2cak s MET 99 Cb 0.18 -3.92 -0.09 0.00 2.01 0.00 0.00 34.83 33.01 2cak s MET 99 CO 0.82 -1.21 1.15 -1.25 -0.01 0.00 0.00 175.02 174.52 2cak s PRO 100 N -0.24 4.17 -0.54 2.03 0.04 -1.19 -4.98 135.00 134.29 2cak s PRO 100 Ca 0.19 1.81 -0.20 0.00 0.04 0.00 0.00 61.00 62.84 2cak s PRO 100 Cb -0.16 -2.76 0.07 0.00 0.04 0.00 0.00 34.50 31.69 2cak s PRO 100 CO -0.06 -0.21 0.70 0.14 0.04 0.00 0.00 177.00 177.61 2cak s VAL 101 N -1.39 4.77 0.00 -0.36 -7.23 -1.26 -4.86 120.40 110.07 2cak s VAL 101 Ca 0.55 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 2cak s VAL 101 Cb -0.30 -4.39 0.00 0.00 0.56 0.00 0.00 36.38 32.25 2cak s VAL 101 CO 0.38 -0.95 0.50 2.30 -0.31 0.00 0.00 175.10 177.02 2cak n ILE 102 N 5.68 0.23 -2.29 -0.62 -5.35 -1.26 -4.92 119.36 110.84 2cak n ILE 102 Ca -0.06 -0.43 -0.36 0.00 -0.27 0.00 0.00 62.75 61.62 2cak n ILE 102 Cb 0.45 1.12 -0.01 0.00 -1.74 0.00 0.00 39.64 39.46 2cak n ILE 102 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2cak s ASP 103 N -0.23 6.11 0.29 7.28 1.01 -1.26 -3.73 116.67 126.14 2cak s ASP 103 Ca 0.00 2.25 -0.28 0.00 0.71 0.00 0.00 52.55 55.23 2cak s ASP 103 Cb 0.00 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.24 2cak s ASP 103 CO 0.00 -0.95 0.97 -2.16 0.21 0.00 0.00 175.17 173.23 2cak s PRO 104 N -2.84 4.67 -0.24 8.23 0.04 -1.26 -4.95 135.00 138.65 2cak s PRO 104 Ca 0.65 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 2cak s PRO 104 Cb -0.27 -3.02 0.01 0.00 0.04 0.00 0.00 34.50 31.27 2cak s PRO 104 CO 0.32 0.34 1.03 0.42 0.04 0.00 0.00 177.00 179.15 2cak s ILE 105 N -1.39 4.67 0.09 0.56 1.01 -1.24 -4.53 121.20 120.36 2cak s ILE 105 Ca 0.46 1.95 0.08 0.00 0.00 0.00 0.00 60.65 63.15 2cak s ILE 105 Cb -0.23 -4.31 -0.16 0.00 0.01 0.00 0.00 42.46 37.77 2cak s ILE 105 CO 0.29 -0.22 1.33 -0.37 0.00 0.00 0.00 174.94 175.97 2cak h VAL 106 N 5.49 1.57 -1.52 2.92 -1.51 -1.50 -3.47 116.25 118.23 2cak h VAL 106 Ca -0.19 -3.17 0.09 0.00 -1.23 0.00 0.00 66.70 62.20 2cak h VAL 106 Cb 1.06 2.74 -0.24 0.00 -2.13 0.00 0.00 31.29 32.73 2cak h VAL 106 CO 0.98 0.88 0.57 0.00 -1.23 0.00 0.00 177.57 178.77 2cak s ALA 107 N -2.80 -1.95 0.00 5.19 0.00 -1.25 -5.04 121.76 115.90 2cak s ALA 107 Ca 0.01 1.64 0.00 0.00 0.00 0.00 0.00 51.96 53.61 2cak s ALA 107 Cb 0.10 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2cak s ALA 107 CO 0.80 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.68 2cak n GLY 108 N 0.88 -0.87 3.70 0.00 0.00 -1.26 -0.69 105.19 106.95 2cak n GLY 108 Ca -0.10 -1.44 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 2cak n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cak s THR 109 N -2.57 3.48 0.00 2.61 -4.23 -0.17 -1.04 115.64 113.72 2cak s THR 109 Ca 0.00 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 2cak s THR 109 Cb 0.00 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.88 2cak s THR 109 CO 0.00 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 2cak n GLY 110 N -1.01 -1.69 3.74 3.99 0.00 -0.48 -4.48 105.19 105.28 2cak n GLY 110 Ca -0.06 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 2cak n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cak s PHE 111 N -0.95 3.35 0.54 1.61 0.08 -1.26 -4.44 117.98 116.91 2cak s PHE 111 Ca 0.00 1.40 -0.11 0.00 0.12 0.00 0.00 56.93 58.33 2cak s PHE 111 Cb 0.00 -3.49 -0.05 0.00 -0.57 0.00 0.00 43.02 38.90 2cak s PHE 111 CO 0.00 -1.40 0.94 -1.54 -0.10 0.00 0.00 175.22 173.12 2cak s SER 112 N -0.01 6.37 0.58 1.36 1.04 -0.91 -4.99 113.70 117.15 2cak s SER 112 Ca 0.52 1.34 -0.20 0.00 0.48 0.00 0.00 55.95 58.09 2cak s SER 112 Cb -0.35 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.32 2cak s SER 112 CO 0.40 -0.69 1.28 -2.84 0.98 0.00 0.00 173.24 172.37 2cak s PRO 113 N -4.65 2.97 0.41 4.02 0.02 -1.26 -4.37 135.00 132.13 2cak s PRO 113 Ca 0.54 2.02 -0.23 0.00 0.02 0.00 0.00 61.00 63.35 2cak s PRO 113 Cb -0.11 -2.05 -0.09 0.00 0.02 0.00 0.00 34.50 32.27 2cak s PRO 113 CO 0.44 -1.26 1.02 0.14 -0.33 0.00 0.00 177.00 177.00 2cak s VAL 114 N -1.43 3.91 0.40 3.83 -7.23 -1.26 -4.54 120.40 114.07 2cak s VAL 114 Ca 0.76 1.39 -0.26 0.00 -1.81 0.00 0.00 61.98 62.06 2cak s VAL 114 Cb -0.36 -3.68 -0.10 0.00 0.56 0.00 0.00 36.38 32.80 2cak s VAL 114 CO 0.40 -0.06 1.28 -2.65 -0.31 0.00 0.00 175.10 173.76 2cak n PRO 115 N -0.21 2.01 -3.52 4.82 -0.02 -1.26 -4.80 135.00 132.01 2cak n PRO 115 Ca 0.06 0.71 -0.13 0.00 -2.02 0.00 0.00 63.50 62.11 2cak n PRO 115 Cb 0.51 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 2cak n PRO 115 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2cak s LYS 116 N -2.13 0.89 -1.70 -0.52 -2.85 -0.89 -4.80 119.74 107.76 2cak s LYS 116 Ca 0.59 0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.61 2cak s LYS 116 Cb -0.52 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 35.67 2cak s LYS 116 CO 0.59 -0.31 0.00 -0.25 0.10 0.00 0.00 175.35 175.48 2cak n ASP 117 N 0.51 -5.33 -0.46 0.03 8.00 -1.26 -1.62 116.55 116.42 2cak n ASP 117 Ca -0.14 0.13 -0.06 0.00 0.71 0.00 0.00 54.79 55.43 2cak n ASP 117 Cb 0.59 -4.52 -0.03 0.00 -0.02 0.00 0.00 41.12 37.15 2cak n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cak n GLY 118 N -0.83 0.84 3.35 0.44 0.00 -1.26 -5.03 105.19 102.69 2cak n GLY 118 Ca -0.22 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 2cak n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cak s LYS 119 N -2.48 1.38 -0.03 1.61 1.02 -0.64 -4.42 119.74 116.19 2cak s LYS 119 Ca 0.00 -1.70 0.04 0.00 0.02 0.00 0.00 55.97 54.32 2cak s LYS 119 Cb 0.00 -0.66 -0.00 0.00 -0.52 0.00 0.00 37.83 36.64 2cak s LYS 119 CO 0.00 -0.10 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.13 2cak s PHE 120 N -3.39 1.31 0.29 3.18 0.40 0.14 -2.09 117.98 117.83 2cak s PHE 120 Ca 0.29 -0.32 -0.25 0.00 -0.60 0.00 0.00 56.93 56.06 2cak s PHE 120 Cb 0.06 -0.88 -0.09 0.00 0.51 0.00 0.00 43.02 42.61 2cak s PHE 120 CO 0.10 -0.09 0.88 0.20 0.70 0.00 0.00 175.22 177.01 2cak s GLY 121 N -0.06 2.77 0.13 4.36 0.00 -1.26 -0.73 107.32 112.54 2cak s GLY 121 Ca -0.00 0.43 -0.09 0.00 0.00 0.00 0.00 44.72 45.06 2cak s GLY 121 CO 0.01 0.86 0.25 -2.52 0.00 0.00 0.00 173.10 171.70 2cak s TYR 122 N -1.56 0.26 0.15 1.90 1.13 -0.35 -1.48 117.35 117.39 2cak s TYR 122 Ca 0.48 -0.65 -0.13 0.00 -1.41 0.00 0.00 57.07 55.35 2cak s TYR 122 Cb -0.18 -0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.65 2cak s TYR 122 CO 0.23 -0.65 0.37 -0.08 -2.51 0.00 0.00 175.55 172.91 2cak s THR 123 N -3.92 0.07 0.00 -3.49 -1.32 -0.60 -0.91 115.64 105.47 2cak s THR 123 Ca 0.11 -0.97 0.06 0.00 -1.21 0.00 0.00 61.69 59.68 2cak s THR 123 Cb 0.04 -1.51 -0.02 0.00 -1.51 0.00 0.00 72.50 69.50 2cak s THR 123 CO -0.05 -0.31 -0.18 0.20 -2.21 0.00 0.00 174.62 172.07 2cak s ASN 124 N -2.88 2.18 0.08 8.08 -0.87 -1.26 -1.21 114.94 119.06 2cak s ASN 124 Ca 0.09 -0.38 -0.08 0.00 -1.57 0.00 0.00 52.86 50.92 2cak s ASN 124 Cb 0.02 -0.22 -0.00 0.00 -0.02 0.00 0.00 41.25 41.02 2cak s ASN 124 CO -0.06 0.20 0.18 0.72 -2.57 0.00 0.00 177.10 175.57 2cak s PHE 125 N -0.53 0.16 0.12 2.20 -0.12 -0.34 -5.01 117.98 114.47 2cak s PHE 125 Ca 0.07 -0.59 0.06 0.00 -0.05 0.00 0.00 56.93 56.42 2cak s PHE 125 Cb -0.07 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.20 2cak s PHE 125 CO -0.00 -0.53 -0.02 -0.08 -0.05 0.00 0.00 175.22 174.55 2cak s THR 126 N -3.77 3.80 -0.07 -4.49 -1.32 -1.26 -0.87 115.64 107.65 2cak s THR 126 Ca 0.04 -1.19 -0.05 0.00 -1.21 0.00 0.00 61.69 59.28 2cak s THR 126 Cb 0.05 -2.84 0.03 0.00 -1.51 0.00 0.00 72.50 68.22 2cak s THR 126 CO -0.10 0.03 0.17 0.86 -2.21 0.00 0.00 174.62 173.37 2cak s TRP 127 N -1.44 -0.20 -0.64 9.09 -0.00 0.09 -4.98 118.94 120.84 2cak s TRP 127 Ca 0.26 0.52 0.05 0.00 -0.00 0.00 0.00 56.10 56.93 2cak s TRP 127 Cb -0.11 0.01 0.16 0.00 -0.00 0.00 0.00 33.47 33.54 2cak s TRP 127 CO 0.18 -0.14 0.44 -1.01 -0.00 0.00 0.00 176.95 176.41 2cak s HIS 128 N 0.68 3.23 0.46 5.86 3.76 -1.26 -1.23 115.29 126.80 2cak s HIS 128 Ca -0.05 -3.19 -0.16 0.00 -0.15 0.00 0.00 55.06 51.51 2cak s HIS 128 Cb -0.06 -2.52 -0.08 0.00 1.11 0.00 0.00 32.58 31.02 2cak s HIS 128 CO -0.04 -0.61 0.91 -1.25 -0.85 0.00 0.00 174.74 172.91 2cak s PRO 129 N -1.10 3.96 0.48 8.40 0.04 -1.26 -5.07 135.00 140.45 2cak s PRO 129 Ca 0.24 0.85 -0.04 0.00 0.04 0.00 0.00 61.00 62.09 2cak s PRO 129 Cb -0.07 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 2cak s PRO 129 CO -0.14 -0.15 0.77 0.95 0.04 0.00 0.00 177.00 178.47 2cak s THR 130 N -2.45 4.72 0.44 1.26 -4.23 -1.26 -4.48 115.64 109.64 2cak s THR 130 Ca 0.57 0.06 -0.25 0.00 -1.18 0.00 0.00 61.69 60.90 2cak s THR 130 Cb -0.10 -3.79 -0.09 0.00 1.34 0.00 0.00 72.50 69.86 2cak s THR 130 CO 0.27 -0.74 1.24 0.00 -0.54 0.00 0.00 174.62 174.85 2cak n ALA 131 N -2.24 1.17 0.00 3.99 0.00 -1.26 -4.86 120.51 117.30 2cak n ALA 131 Ca 0.01 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2cak n ALA 131 Cb 0.56 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.76 2cak n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cak n GLY 132 N 0.86 0.07 3.69 0.00 0.00 -0.70 -4.99 105.19 104.13 2cak n GLY 132 Ca 0.07 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 2cak n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cak s THR 133 N -2.16 4.75 0.25 2.61 2.01 -1.26 -1.06 115.64 120.79 2cak s THR 133 Ca 0.00 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 61.96 2cak s THR 133 Cb 0.00 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 2cak s THR 133 CO 0.00 0.53 0.04 -0.31 -0.69 0.00 0.00 174.62 174.20 2cak s TYR 134 N -0.26 1.60 0.02 4.92 1.51 -0.05 -4.75 117.35 120.34 2cak s TYR 134 Ca 0.08 -1.02 0.04 0.00 -1.01 0.00 0.00 57.07 55.15 2cak s TYR 134 Cb -0.12 -0.96 -0.02 0.00 -0.11 0.00 0.00 41.96 40.75 2cak s TYR 134 CO 0.02 -0.14 -0.11 0.71 -1.11 0.00 0.00 175.55 174.91 2cak s TYR 135 N -3.53 0.99 -0.15 2.71 2.02 0.00 -0.54 117.35 118.86 2cak s TYR 135 Ca 0.33 -0.28 -0.05 0.00 -0.37 0.00 0.00 57.07 56.69 2cak s TYR 135 Cb 0.07 -0.61 -0.04 0.00 -0.40 0.00 0.00 41.96 40.99 2cak s TYR 135 CO 0.11 -0.00 0.03 1.52 -1.57 0.00 0.00 175.55 175.65 2cak s TYR 136 N -0.63 3.22 0.06 2.71 1.13 -0.32 -1.20 117.35 122.31 2cak s TYR 136 Ca 0.01 0.07 0.00 0.00 -1.41 0.00 0.00 57.07 55.75 2cak s TYR 136 Cb -0.06 -1.97 -0.03 0.00 -1.10 0.00 0.00 41.96 38.79 2cak s TYR 136 CO 0.00 0.25 -0.05 0.08 -2.51 0.00 0.00 175.55 173.32 2cak s VAL 137 N -0.06 0.37 -0.09 -3.49 1.01 -0.02 -1.44 120.40 116.68 2cak s VAL 137 Ca 0.05 -1.57 -0.09 0.00 0.00 0.00 0.00 61.98 60.37 2cak s VAL 137 Cb -0.12 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2cak s VAL 137 CO 0.01 -0.78 0.21 0.00 0.00 0.00 0.00 175.10 174.54 2cak n GLN 139 N 2.02 1.20 -1.71 0.00 6.02 -1.26 -3.91 117.38 119.74 2cak n GLN 139 Ca -0.18 -0.79 -0.42 0.00 -0.01 0.00 0.00 57.00 55.60 2cak n GLN 139 Cb 0.54 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.29 2cak n GLN 139 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2cak n ILE 140 N -0.21 0.09 -1.63 5.09 5.41 -1.26 -4.83 119.36 122.01 2cak n ILE 140 Ca 0.13 -0.02 -0.50 0.00 1.00 0.00 0.00 62.75 63.36 2cak n ILE 140 Cb 0.39 -1.99 -0.05 0.00 -0.71 0.00 0.00 39.64 37.27 2cak n ILE 140 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2cak n PRO 141 N 4.36 1.53 0.00 0.38 -0.02 -1.26 -1.61 135.00 138.38 2cak n PRO 141 Ca 0.17 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2cak n PRO 141 Cb 0.35 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2cak n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cak n GLY 142 N 3.08 3.25 0.09 -1.23 0.00 -0.36 -4.94 105.19 105.09 2cak n GLY 142 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 2cak n GLY 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2cak h HIS 143 N 0.00 0.17 -0.97 1.61 3.86 -1.58 -2.35 115.15 115.90 2cak h HIS 143 Ca 0.00 -0.07 0.05 0.00 -1.16 0.00 0.00 60.37 59.18 2cak h HIS 143 Cb 0.00 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.39 2cak h HIS 143 CO 0.00 0.77 0.63 0.00 0.86 0.00 0.00 177.93 180.19 2cak h ALA 144 N 0.37 1.40 0.00 2.45 0.00 -1.74 -1.03 119.26 120.71 2cak h ALA 144 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2cak h ALA 144 Cb 0.78 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2cak h ALA 144 CO 0.02 0.49 -0.07 0.00 0.00 0.00 0.00 179.25 179.69 2cak h ALA 145 N 1.45 1.65 -0.56 0.00 0.00 -1.69 -2.41 119.26 117.70 2cak h ALA 145 Ca 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2cak h ALA 145 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2cak h ALA 145 CO -0.13 0.09 0.00 0.25 0.00 0.00 0.00 179.25 179.46 2cak n THR 146 N -4.12 1.72 0.00 0.00 -2.24 -0.85 -4.93 114.28 103.87 2cak n THR 146 Ca -0.03 -1.25 0.00 0.00 -2.27 0.00 0.00 64.05 60.51 2cak n THR 146 Cb 0.16 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 2cak n THR 146 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cak n GLY 147 N 0.85 1.04 3.34 3.38 0.00 -0.91 -4.71 105.19 108.18 2cak n GLY 147 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 2cak n GLY 147 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2cak n MET 148 N -0.58 3.35 -3.52 1.61 0.00 -0.45 -4.81 117.12 112.72 2cak n MET 148 Ca 0.00 -3.61 -0.09 0.00 0.00 0.00 0.00 57.70 54.00 2cak n MET 148 Cb 0.00 -3.13 -0.02 0.00 0.00 0.00 0.00 33.22 30.07 2cak n MET 148 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 2cak s PHE 149 N 1.98 -0.39 0.31 1.12 -0.71 -1.26 -3.02 117.98 116.01 2cak s PHE 149 Ca 0.45 0.18 -0.08 0.00 -1.04 0.00 0.00 56.93 56.44 2cak s PHE 149 Cb 0.02 0.57 0.01 0.00 -1.21 0.00 0.00 43.02 42.40 2cak s PHE 149 CO 0.01 -0.75 0.51 0.20 -1.34 0.00 0.00 175.22 173.85 2cak s GLY 150 N -2.67 1.02 0.08 1.99 0.00 -0.52 -4.81 107.32 102.40 2cak s GLY 150 Ca 0.05 -1.20 0.03 0.00 0.00 0.00 0.00 44.72 43.60 2cak s GLY 150 CO -0.08 -0.79 0.06 1.25 0.00 0.00 0.00 173.10 173.53 2cak s LYS 151 N -3.32 2.79 -0.09 2.90 2.20 -1.26 -1.17 119.74 121.78 2cak s LYS 151 Ca 0.26 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 2cak s LYS 151 Cb -0.01 -2.68 0.02 0.00 -1.51 0.00 0.00 37.83 33.65 2cak s LYS 151 CO 0.15 0.56 -0.12 0.42 -0.36 0.00 0.00 175.35 176.00 2cak s ILE 152 N -1.36 1.21 -0.23 5.43 1.01 0.30 -1.06 121.20 126.50 2cak s ILE 152 Ca 0.28 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 2cak s ILE 152 Cb -0.12 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 2cak s ILE 152 CO 0.21 0.38 -0.03 -0.63 0.00 0.00 0.00 174.94 174.87 2cak s ILE 153 N 1.03 3.44 -0.27 2.92 1.01 0.34 -0.87 121.20 128.80 2cak s ILE 153 Ca -0.07 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 2cak s ILE 153 Cb -0.15 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 2cak s ILE 153 CO -0.01 0.39 0.08 -0.69 0.00 0.00 0.00 174.94 174.71 2cak s VAL 154 N 1.48 4.18 -2.00 2.92 1.01 -0.22 -1.07 120.40 126.70 2cak s VAL 154 Ca 0.05 -0.42 0.15 0.00 0.00 0.00 0.00 61.98 61.77 2cak s VAL 154 Cb -0.15 -3.05 0.44 0.00 0.00 0.00 0.00 36.38 33.62 2cak s VAL 154 CO -0.03 0.21 1.34 0.29 0.00 0.00 0.00 175.10 176.91