#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw s ILE 2 N 0.00 2.10 0.05 -0.61 -4.36 -1.26 -5.12 121.20 111.99 3cpw s ILE 2 Ca 0.00 -0.36 0.02 0.00 -0.26 0.00 0.00 60.65 60.05 3cpw s ILE 2 Cb 0.00 -2.75 -0.03 0.00 1.25 0.00 0.00 42.46 40.94 3cpw s ILE 2 CO 0.00 0.00 -0.06 -0.44 0.24 0.00 0.00 174.94 174.68 3cpw s SER 3 N -4.77 0.75 -0.09 4.36 0.01 -1.26 -5.09 113.70 107.61 3cpw s SER 3 Ca 0.68 -0.62 -0.34 0.00 1.31 0.00 0.00 55.95 56.98 3cpw s SER 3 Cb -0.05 0.06 -0.11 0.00 0.21 0.00 0.00 66.02 66.13 3cpw s SER 3 CO 0.47 -0.28 1.90 -1.22 0.41 0.00 0.00 173.24 174.52 3cpw n TYR 4 N 1.23 2.33 1.91 2.43 4.02 -1.26 -4.81 117.16 123.00 3cpw n TYR 4 Ca -0.21 -0.03 0.11 0.00 -0.01 0.00 0.00 57.90 57.76 3cpw n TYR 4 Cb 0.56 -2.67 0.64 0.00 -0.02 0.00 0.00 39.34 37.85 3cpw n TYR 4 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3cpw n SER 5 N 6.81 0.22 -4.09 7.72 3.41 -1.26 -4.79 113.62 121.64 3cpw n SER 5 Ca 0.23 -1.34 -0.18 0.00 -0.26 0.00 0.00 58.87 57.32 3cpw n SER 5 Cb 0.30 -0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 64.11 3cpw n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3cpw s VAL 6 N -1.98 0.88 0.59 -3.33 1.01 -1.26 -5.14 120.40 111.17 3cpw s VAL 6 Ca 0.34 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 3cpw s VAL 6 Cb 0.16 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 3cpw s VAL 6 CO 0.27 -0.00 1.11 -1.61 0.00 0.00 0.00 175.10 174.86 3cpw s GLU 7 N -0.93 3.16 -0.14 2.72 2.02 -1.26 -5.05 118.70 119.22 3cpw s GLU 7 Ca 0.00 1.49 -0.06 0.00 0.02 0.00 0.00 54.97 56.42 3cpw s GLU 7 Cb -0.07 -1.99 0.06 0.00 0.10 0.00 0.00 34.13 32.24 3cpw s GLU 7 CO 0.01 -0.98 0.31 0.00 0.02 0.00 0.00 175.26 174.61 3cpw s ALA 8 N -2.04 -0.73 -0.28 5.21 0.00 -1.26 -5.11 121.76 117.55 3cpw s ALA 8 Ca 0.70 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 53.50 3cpw s ALA 8 Cb -0.22 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 3cpw s ALA 8 CO 0.33 -0.51 1.40 0.34 0.00 0.00 0.00 175.76 177.32 3cpw s ASP 9 N 2.05 6.57 0.56 0.00 -1.08 -1.26 -4.91 116.67 118.61 3cpw s ASP 9 Ca -0.03 1.34 0.25 0.00 -0.52 0.00 0.00 52.55 53.59 3cpw s ASP 9 Cb -0.11 -2.54 1.52 0.00 -1.46 0.00 0.00 42.92 40.34 3cpw s ASP 9 CO -0.10 -1.14 2.10 1.55 0.52 0.00 0.00 175.17 178.10 3cpw h PRO 10 N 9.78 0.00 0.00 4.34 0.13 -2.00 -2.20 132.00 142.04 3cpw h PRO 10 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3cpw h PRO 10 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3cpw h PRO 10 CO 1.02 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.54 3cpw n ASP 11 N -4.10 0.00 -1.23 1.44 8.00 -1.26 -3.61 116.55 115.79 3cpw n ASP 11 Ca 0.02 0.25 0.01 0.00 0.71 0.00 0.00 54.79 55.78 3cpw n ASP 11 Cb 0.32 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 3cpw n ASP 11 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3cpw n THR 12 N -1.41 0.00 -3.79 -3.53 -2.24 -0.96 -5.06 114.28 97.29 3cpw n THR 12 Ca 0.09 -0.65 -0.13 0.00 -2.27 0.00 0.00 64.05 61.09 3cpw n THR 12 Cb 0.26 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.20 3cpw n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3cpw s THR 13 N 0.00 0.04 -0.01 4.28 2.01 -0.87 -2.53 115.64 118.57 3cpw s THR 13 Ca 0.22 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.91 3cpw s THR 13 Cb 0.25 -0.48 -0.01 0.00 0.01 0.00 0.00 72.50 72.27 3cpw s THR 13 CO -0.11 -0.19 -0.11 0.00 -0.69 0.00 0.00 174.62 173.52 3cpw s ALA 14 N -0.77 0.92 0.35 7.40 0.00 -0.49 -4.75 121.76 124.42 3cpw s ALA 14 Ca -0.09 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.49 3cpw s ALA 14 Cb -0.05 -0.24 -0.06 0.00 0.00 0.00 0.00 23.12 22.78 3cpw s ALA 14 CO 0.02 0.22 0.02 0.15 0.00 0.00 0.00 175.76 176.17 3cpw s LYS 15 N -0.22 2.08 -0.15 0.00 1.02 -1.26 0.06 119.74 121.26 3cpw s LYS 15 Ca 0.04 -1.78 -0.30 0.00 0.02 0.00 0.00 55.97 53.95 3cpw s LYS 15 Cb -0.05 -1.91 0.11 0.00 -0.52 0.00 0.00 37.83 35.47 3cpw s LYS 15 CO -0.00 0.10 0.93 0.00 -0.92 0.00 0.00 175.35 175.46 3cpw s ALA 16 N -2.54 -1.90 0.03 5.17 0.00 -0.30 -4.64 121.76 117.58 3cpw s ALA 16 Ca 0.35 1.56 -0.10 0.00 0.00 0.00 0.00 51.96 53.77 3cpw s ALA 16 Cb 0.01 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.52 3cpw s ALA 16 CO 0.19 -0.32 0.21 -1.64 0.00 0.00 0.00 175.76 174.21 3cpw s MET 17 N -1.02 0.67 0.08 0.00 -1.94 -1.26 -0.73 119.30 115.11 3cpw s MET 17 Ca -0.03 -0.55 0.06 0.00 -1.71 0.00 0.00 55.69 53.46 3cpw s MET 17 Cb -0.01 0.28 -0.04 0.00 2.01 0.00 0.00 34.83 37.08 3cpw s MET 17 CO 0.03 -0.19 -0.07 -0.51 -0.01 0.00 0.00 175.02 174.26 3cpw s LEU 18 N -1.92 3.15 -0.04 -0.03 1.43 -0.53 -4.96 118.68 115.77 3cpw s LEU 18 Ca -0.07 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3cpw s LEU 18 Cb -0.02 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 3cpw s LEU 18 CO -0.02 0.19 -0.16 -0.13 0.23 0.00 0.00 176.35 176.46 3cpw s ARG 19 N -2.09 1.65 -1.24 1.70 1.81 -1.26 -2.71 118.95 116.80 3cpw s ARG 19 Ca 0.22 -0.58 -0.03 0.00 -1.72 0.00 0.00 55.73 53.61 3cpw s ARG 19 Cb -0.11 -1.46 0.03 0.00 -0.45 0.00 0.00 34.95 32.96 3cpw s ARG 19 CO 0.14 0.25 0.08 0.39 -0.68 0.00 0.00 175.30 175.48 3cpw n GLU 20 N 3.08 -0.92 -2.52 3.54 1.02 -1.13 -4.86 120.64 118.85 3cpw n GLU 20 Ca -0.18 0.08 -0.40 0.00 -0.02 0.00 0.00 57.16 56.64 3cpw n GLU 20 Cb 0.53 -2.92 -0.04 0.00 -0.02 0.00 0.00 31.44 28.99 3cpw n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3cpw s ARG 21 N -6.28 4.66 -0.93 3.49 1.81 0.35 -4.56 118.95 117.48 3cpw s ARG 21 Ca 0.12 1.75 -0.14 0.00 -1.72 0.00 0.00 55.73 55.73 3cpw s ARG 21 Cb -0.07 -3.22 0.20 0.00 -0.45 0.00 0.00 34.95 31.42 3cpw s ARG 21 CO 0.78 0.23 0.97 -0.65 -0.68 0.00 0.00 175.30 175.95 3cpw s GLN 22 N -1.24 3.74 0.20 3.54 -0.21 -1.26 0.60 119.66 125.03 3cpw s GLN 22 Ca 0.45 -2.41 -0.15 0.00 0.02 0.00 0.00 55.36 53.27 3cpw s GLN 22 Cb -0.31 -4.63 0.01 0.00 1.00 0.00 0.00 33.01 29.09 3cpw s GLN 22 CO 0.39 -1.45 0.46 0.00 -2.12 0.00 0.00 175.29 172.57 3cpw s MET 23 N 0.70 1.35 0.04 2.91 0.23 -1.24 -5.00 119.30 118.30 3cpw s MET 23 Ca 0.26 -0.99 -0.31 0.00 -1.03 0.00 0.00 55.69 53.61 3cpw s MET 23 Cb -0.08 0.48 -0.10 0.00 -1.53 0.00 0.00 34.83 33.60 3cpw s MET 23 CO -0.08 -0.56 1.91 0.45 -2.03 0.00 0.00 175.02 174.71 3cpw n SER 24 N -0.32 3.96 0.00 -1.18 2.88 -1.26 -4.61 113.62 113.10 3cpw n SER 24 Ca -0.08 0.95 -0.09 0.00 -1.33 0.00 0.00 58.87 58.31 3cpw n SER 24 Cb 0.62 -1.50 0.06 0.00 -0.75 0.00 0.00 64.21 62.64 3cpw n SER 24 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3cpw h PHE 25 N 9.60 0.70 -0.70 0.66 3.57 -1.96 -2.10 116.94 126.71 3cpw h PHE 25 Ca -0.49 -0.24 -0.07 0.00 3.53 0.00 0.00 57.97 60.70 3cpw h PHE 25 Cb 1.24 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 3cpw h PHE 25 CO 0.88 0.97 0.15 0.87 -2.23 0.00 0.00 178.31 178.96 3cpw h LYS 26 N 0.43 1.13 -0.35 1.11 1.57 -2.01 -1.60 116.57 116.86 3cpw h LYS 26 Ca 0.01 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.40 3cpw h LYS 26 Cb 1.07 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 3cpw h LYS 26 CO 0.10 1.01 -0.24 0.45 -0.57 0.00 0.00 179.45 180.20 3cpw h HIS 27 N 1.07 0.79 -0.78 -1.35 3.86 -1.93 -2.90 115.15 113.90 3cpw h HIS 27 Ca 0.22 -0.18 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 3cpw h HIS 27 Cb 0.39 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 3cpw h HIS 27 CO 0.03 0.87 0.35 0.77 0.86 0.00 0.00 177.93 180.81 3cpw h SER 28 N 0.60 1.04 -0.60 2.45 0.02 -0.79 -0.23 113.55 116.05 3cpw h SER 28 Ca 0.08 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3cpw h SER 28 Cb 0.73 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 3cpw h SER 28 CO 0.06 0.90 0.29 0.11 -1.14 0.00 0.00 176.83 177.04 3cpw h LYS 29 N 1.13 0.86 0.09 3.45 1.57 -1.17 -1.70 116.57 120.80 3cpw h LYS 29 Ca 0.27 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3cpw h LYS 29 Cb 0.16 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3cpw h LYS 29 CO -0.03 0.70 -0.05 0.00 -0.57 0.00 0.00 179.45 179.50 3cpw h ALA 30 N 1.12 -0.13 -0.28 3.86 0.00 -1.20 -1.61 119.26 121.01 3cpw h ALA 30 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3cpw h ALA 30 Cb 0.12 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3cpw h ALA 30 CO -0.03 -0.58 0.14 0.82 0.00 0.00 0.00 179.25 179.61 3cpw h ILE 31 N -0.14 1.14 0.50 0.00 2.04 -0.96 -2.27 117.51 117.83 3cpw h ILE 31 Ca -0.01 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 3cpw h ILE 31 Cb 0.11 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3cpw h ILE 31 CO 0.01 0.14 -0.49 0.00 0.00 0.00 0.00 178.15 177.82 3cpw h ALA 32 N 1.00 -1.15 -0.96 1.87 0.00 -1.24 -1.52 119.26 117.26 3cpw h ALA 32 Ca 0.10 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.01 3cpw h ALA 32 Cb 0.11 0.71 -0.18 0.00 0.00 0.00 0.00 17.79 18.43 3cpw h ALA 32 CO -0.01 -1.18 -0.24 -0.09 0.00 0.00 0.00 179.25 177.73 3cpw h ARG 33 N -0.99 -0.00 -0.46 0.00 2.43 -1.23 -0.65 114.38 113.48 3cpw h ARG 33 Ca -0.06 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 3cpw h ARG 33 Cb 0.85 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 3cpw h ARG 33 CO -0.05 -0.00 -0.09 1.49 -1.51 0.00 0.00 179.97 179.81 3cpw h GLU 34 N -0.00 0.83 0.00 0.20 4.57 -0.86 -3.26 114.58 116.06 3cpw h GLU 34 Ca 0.46 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 3cpw h GLU 34 Cb 0.70 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 3cpw h GLU 34 CO -0.99 0.89 -0.76 0.44 -1.18 0.00 0.00 179.01 177.41 3cpw n ILE 35 N -4.17 0.14 -1.69 2.32 -5.35 -0.35 -4.87 119.36 105.39 3cpw n ILE 35 Ca 0.02 -0.15 -0.44 0.00 -0.27 0.00 0.00 62.75 61.91 3cpw n ILE 35 Cb 0.36 0.21 -0.03 0.00 -1.74 0.00 0.00 39.64 38.45 3cpw n ILE 35 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3cpw n LYS 36 N -1.80 2.23 0.00 6.28 4.81 -0.58 -0.95 118.16 128.14 3cpw n LYS 36 Ca 0.04 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 3cpw n LYS 36 Cb 0.39 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 32.94 3cpw n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cpw n GLY 37 N 2.37 3.34 3.86 3.14 0.00 -0.69 -5.03 105.19 112.19 3cpw n GLY 37 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3cpw n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cpw s LYS 38 N -0.69 1.98 0.23 1.61 1.02 -0.12 -4.59 119.74 119.18 3cpw s LYS 38 Ca 0.00 0.30 -0.20 0.00 0.02 0.00 0.00 55.97 56.09 3cpw s LYS 38 Cb 0.00 -1.94 -0.08 0.00 -0.52 0.00 0.00 37.83 35.29 3cpw s LYS 38 CO 0.00 -1.62 0.73 0.99 -0.92 0.00 0.00 175.35 174.53 3cpw s THR 39 N -3.40 4.57 0.24 2.17 2.01 -1.26 -0.75 115.64 119.21 3cpw s THR 39 Ca 0.61 1.28 -0.09 0.00 0.31 0.00 0.00 61.69 63.80 3cpw s THR 39 Cb -0.12 -3.85 0.27 0.00 0.01 0.00 0.00 72.50 68.81 3cpw s THR 39 CO 0.51 0.18 1.63 0.00 -0.69 0.00 0.00 174.62 176.25 3cpw h ALA 40 N 3.35 0.66 -0.69 7.40 0.00 -1.09 0.21 119.26 129.11 3cpw h ALA 40 Ca -0.48 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3cpw h ALA 40 Cb 1.19 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 3cpw h ALA 40 CO 0.65 -0.42 0.36 0.78 0.00 0.00 0.00 179.25 180.62 3cpw h GLY 41 N 0.06 1.02 0.93 0.00 0.00 -1.61 -1.41 103.07 102.06 3cpw h GLY 41 Ca 0.38 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 3cpw h GLY 41 CO -0.68 0.44 -0.08 0.83 0.00 0.00 0.00 176.54 177.05 3cpw h GLU 42 N 0.96 0.66 -0.21 4.80 5.08 -1.01 -2.08 114.58 122.78 3cpw h GLU 42 Ca 0.24 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3cpw h GLU 42 Cb 0.04 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3cpw h GLU 42 CO -0.04 0.82 -0.05 0.00 -1.00 0.00 0.00 179.01 178.75 3cpw h ALA 43 N 0.81 0.15 -0.08 3.43 0.00 -0.26 0.20 119.26 123.50 3cpw h ALA 43 Ca 0.09 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3cpw h ALA 43 Cb 0.58 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3cpw h ALA 43 CO 0.03 -0.47 -0.02 0.28 0.00 0.00 0.00 179.25 179.07 3cpw h VAL 44 N 0.01 0.92 -0.58 0.00 2.07 -1.19 0.24 116.25 117.72 3cpw h VAL 44 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3cpw h VAL 44 Cb 0.15 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3cpw h VAL 44 CO -0.21 0.00 0.36 0.44 0.02 0.00 0.00 177.57 178.18 3cpw h ASP 45 N -0.00 0.68 0.44 0.57 3.32 -1.02 -1.07 116.42 119.33 3cpw h ASP 45 Ca 0.04 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3cpw h ASP 45 Cb 0.06 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3cpw h ASP 45 CO -0.09 0.51 -0.21 0.22 -1.72 0.00 0.00 179.24 177.95 3cpw h TYR 46 N 0.79 -0.54 -0.21 4.55 3.20 0.44 -1.99 116.97 123.20 3cpw h TYR 46 Ca 0.21 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3cpw h TYR 46 Cb -0.06 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3cpw h TYR 46 CO 0.00 -0.23 0.14 -0.07 -1.64 0.00 0.00 178.16 176.36 3cpw h LEU 47 N -0.84 0.24 -0.84 2.82 3.38 -0.39 0.50 115.31 120.18 3cpw h LEU 47 Ca -0.06 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 3cpw h LEU 47 Cb 0.56 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3cpw h LEU 47 CO 0.10 0.18 -0.43 -0.33 0.09 0.00 0.00 178.44 178.04 3cpw h GLU 48 N 0.29 0.32 0.00 1.13 5.08 -1.11 -0.43 114.58 119.85 3cpw h GLU 48 Ca 0.08 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 3cpw h GLU 48 Cb -0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3cpw h GLU 48 CO -0.02 0.70 -0.55 0.00 -1.00 0.00 0.00 179.01 178.14 3cpw h ALA 49 N 1.28 1.08 0.13 3.43 0.00 -0.19 -0.16 119.26 124.84 3cpw h ALA 49 Ca 0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3cpw h ALA 49 Cb 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3cpw h ALA 49 CO 0.07 0.69 -0.06 0.28 0.00 0.00 0.00 179.25 180.23 3cpw h VAL 50 N 0.00 1.03 -0.76 0.00 2.07 -0.47 0.20 116.25 118.33 3cpw h VAL 50 Ca -0.01 -0.98 0.09 0.00 0.82 0.00 0.00 66.70 66.62 3cpw h VAL 50 Cb 0.98 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 3cpw h VAL 50 CO 0.07 0.22 0.50 0.40 0.02 0.00 0.00 177.57 178.78 3cpw h ILE 51 N -0.67 0.96 0.00 4.57 2.04 -0.99 0.19 117.51 123.61 3cpw h ILE 51 Ca -0.02 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3cpw h ILE 51 Cb 0.50 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3cpw h ILE 51 CO 0.03 0.13 0.00 -0.08 0.00 0.00 0.00 178.15 178.23 3cpw h GLU 52 N 0.71 0.00 0.00 2.37 4.57 -0.97 -3.47 114.58 117.79 3cpw h GLU 52 Ca 0.34 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 3cpw h GLU 52 Cb 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3cpw h GLU 52 CO -0.13 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.11 3cpw n GLY 53 N 0.81 0.75 0.12 1.92 0.00 0.06 -4.93 105.19 103.92 3cpw n GLY 53 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 3cpw n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cpw h ASP 54 N 0.00 0.00 -3.23 1.61 3.32 -1.25 -3.45 116.42 113.42 3cpw h ASP 54 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 3cpw h ASP 54 Cb 0.00 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 39.18 3cpw h ASP 54 CO 0.00 0.17 -0.81 -1.58 -1.72 0.00 0.00 179.24 175.30 3cpw s GLN 55 N -3.22 1.87 0.35 3.56 2.00 -0.32 -4.97 119.66 118.93 3cpw s GLN 55 Ca -0.00 -0.53 -0.13 0.00 -2.00 0.00 0.00 55.36 52.70 3cpw s GLN 55 Cb 0.09 -2.01 -0.08 0.00 0.80 0.00 0.00 33.01 31.80 3cpw s GLN 55 CO 0.78 -0.32 0.74 -1.25 -0.50 0.00 0.00 175.29 174.74 3cpw s PRO 56 N 1.56 3.92 -0.27 1.67 0.04 -1.26 -3.64 135.00 137.01 3cpw s PRO 56 Ca 0.03 0.58 -0.10 0.00 0.04 0.00 0.00 61.00 61.55 3cpw s PRO 56 Cb -0.14 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 3cpw s PRO 56 CO -0.09 0.09 0.15 0.08 0.04 0.00 0.00 177.00 177.28 3cpw s VAL 57 N -2.12 5.01 0.22 -0.36 1.01 0.16 -4.86 120.40 119.46 3cpw s VAL 57 Ca 0.53 0.07 -0.32 0.00 0.00 0.00 0.00 61.98 62.26 3cpw s VAL 57 Cb -0.10 -3.38 -0.12 0.00 0.00 0.00 0.00 36.38 32.78 3cpw s VAL 57 CO 0.22 0.28 1.71 -2.65 0.00 0.00 0.00 175.10 174.66 3cpw n PRO 58 N 5.01 2.75 -3.56 2.72 -0.02 -1.26 -1.71 135.00 138.94 3cpw n PRO 58 Ca -0.15 0.99 -0.41 0.00 -2.02 0.00 0.00 63.50 61.92 3cpw n PRO 58 Cb 0.52 -2.83 -0.06 0.00 -0.02 0.00 0.00 33.50 31.11 3cpw n PRO 58 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3cpw s PHE 59 N 1.05 3.57 -0.26 6.00 2.99 0.07 -4.87 117.98 126.53 3cpw s PHE 59 Ca 0.74 -2.45 0.20 0.00 0.00 0.00 0.00 56.93 55.42 3cpw s PHE 59 Cb -0.51 -3.45 0.09 0.00 0.00 0.00 0.00 43.02 39.15 3cpw s PHE 59 CO 0.34 -0.90 1.27 0.87 -0.00 0.00 0.00 175.22 176.80 3cpw h LYS 60 N 7.26 0.00 0.00 0.44 1.57 -1.92 -3.40 116.57 120.52 3cpw h LYS 60 Ca 0.05 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 3cpw h LYS 60 Cb 0.98 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 3cpw h LYS 60 CO 0.73 0.17 -1.49 0.94 -0.57 0.00 0.00 179.45 179.24 3cpw n GLN 61 N -2.97 0.19 -3.11 3.15 7.27 -1.26 -4.81 117.38 115.83 3cpw n GLN 61 Ca -0.00 0.07 -0.44 0.00 0.07 0.00 0.00 57.00 56.70 3cpw n GLN 61 Cb 0.64 -0.93 0.00 0.00 2.41 0.00 0.00 30.24 32.37 3cpw n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3cpw n HIS 62 N -3.19 3.80 -0.37 3.69 8.25 -1.26 -4.73 115.22 121.40 3cpw n HIS 62 Ca -0.17 -3.23 0.01 0.00 -0.26 0.00 0.00 57.72 54.08 3cpw n HIS 62 Cb 0.63 -1.55 0.02 0.00 1.12 0.00 0.00 29.99 30.21 3cpw n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3cpw n ASN 63 N 2.31 1.68 -4.66 0.41 0.23 -1.26 -4.94 115.26 109.04 3cpw n ASN 63 Ca 0.27 -2.01 -0.42 0.00 -0.53 0.00 0.00 54.58 51.88 3cpw n ASN 63 Cb 0.36 -0.07 -0.03 0.00 -2.08 0.00 0.00 39.78 37.96 3cpw n ASN 63 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3cpw n SER 64 N -0.54 4.09 0.00 0.53 3.41 -1.26 -1.20 113.62 118.64 3cpw n SER 64 Ca 0.02 0.85 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 3cpw n SER 64 Cb 0.36 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 3cpw n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cpw n GLY 65 N 4.65 1.26 3.71 5.00 0.00 -1.26 -5.02 105.19 113.53 3cpw n GLY 65 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3cpw n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cpw s VAL 66 N -3.19 4.05 0.35 1.61 1.01 -0.34 -5.00 120.40 118.88 3cpw s VAL 66 Ca 0.00 1.47 -0.25 0.00 0.00 0.00 0.00 61.98 63.19 3cpw s VAL 66 Cb 0.00 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 3cpw s VAL 66 CO 0.00 0.11 1.00 -0.83 0.00 0.00 0.00 175.10 175.38 3cpw s GLY 67 N 1.06 2.79 0.61 4.51 0.00 -1.26 -4.79 107.32 110.24 3cpw s GLY 67 Ca 0.59 0.63 -0.19 0.00 0.00 0.00 0.00 44.72 45.74 3cpw s GLY 67 CO 0.29 1.07 1.27 0.30 0.00 0.00 0.00 173.10 176.04 3cpw s HIS 68 N -1.61 2.23 -0.09 1.90 0.09 -1.26 -3.64 115.29 112.91 3cpw s HIS 68 Ca 0.53 1.48 0.01 0.00 -0.00 0.00 0.00 55.06 57.08 3cpw s HIS 68 Cb -0.21 -3.64 0.02 0.00 -0.00 0.00 0.00 32.58 28.75 3cpw s HIS 68 CO 0.27 -2.66 -0.12 0.15 -0.00 0.00 0.00 174.74 172.38 3cpw s LYS 69 N -3.27 1.80 0.21 1.40 -0.14 0.24 -4.87 119.74 115.12 3cpw s LYS 69 Ca 0.79 -0.41 -0.10 0.00 -1.36 0.00 0.00 55.97 54.89 3cpw s LYS 69 Cb -0.35 -1.59 0.19 0.00 -1.68 0.00 0.00 37.83 34.40 3cpw s LYS 69 CO 0.39 -0.07 1.86 0.66 -0.76 0.00 0.00 175.35 177.43 3cpw h SER 70 N 7.40 0.81 0.30 2.83 4.64 -1.96 -2.52 113.55 125.04 3cpw h SER 70 Ca -0.31 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3cpw h SER 70 Cb 1.17 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3cpw h SER 70 CO 0.46 0.57 0.00 0.29 -0.87 0.00 0.00 176.83 177.28 3cpw n LYS 71 N -4.61 0.07 -2.58 4.77 5.02 -1.26 -4.64 118.16 114.94 3cpw n LYS 71 Ca 0.08 0.25 -0.43 0.00 -2.02 0.00 0.00 58.31 56.20 3cpw n LYS 71 Cb 0.06 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 3cpw n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3cpw s VAL 72 N -2.80 4.54 -0.12 -0.18 1.01 -0.95 -4.94 120.40 116.94 3cpw s VAL 72 Ca 0.08 1.83 -0.08 0.00 0.00 0.00 0.00 61.98 63.81 3cpw s VAL 72 Cb 0.07 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3cpw s VAL 72 CO 0.18 -0.03 0.16 -0.62 0.00 0.00 0.00 175.10 174.79 3cpw s ASP 73 N 1.32 6.40 0.00 3.32 2.15 -1.26 -4.29 116.67 124.30 3cpw s ASP 73 Ca 0.51 0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.96 3cpw s ASP 73 Cb -0.20 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 3cpw s ASP 73 CO 0.18 0.36 0.00 0.61 -0.17 0.00 0.00 175.17 176.15 3cpw n GLY 74 N 2.24 0.44 3.58 2.66 0.00 -1.26 -4.92 105.19 107.93 3cpw n GLY 74 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 3cpw n GLY 74 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3cpw s TRP 75 N -2.22 0.76 -0.02 1.61 -0.11 -1.26 -5.13 118.94 112.57 3cpw s TRP 75 Ca 0.00 -1.11 -0.02 0.00 1.22 0.00 0.00 56.10 56.18 3cpw s TRP 75 Cb 0.00 0.18 -0.02 0.00 -1.50 0.00 0.00 33.47 32.13 3cpw s TRP 75 CO 0.00 -1.24 -0.05 -0.40 -4.62 0.00 0.00 176.95 170.64 3cpw n ASP 76 N -1.32 0.51 -4.73 5.86 5.68 -1.26 -4.75 116.55 116.53 3cpw n ASP 76 Ca -0.02 0.08 -0.41 0.00 -0.50 0.00 0.00 54.79 53.94 3cpw n ASP 76 Cb 0.61 -0.18 -0.04 0.00 -1.14 0.00 0.00 41.12 40.37 3cpw n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cpw s ALA 77 N -2.09 3.33 0.13 2.12 0.00 -1.26 -0.59 121.76 123.39 3cpw s ALA 77 Ca -0.06 0.74 -0.21 0.00 0.00 0.00 0.00 51.96 52.43 3cpw s ALA 77 Cb 0.02 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.86 3cpw s ALA 77 CO 0.07 -0.18 0.54 0.20 0.00 0.00 0.00 175.76 176.39 3cpw s GLY 78 N 0.09 -0.51 0.05 0.00 0.00 -1.24 -0.75 107.32 104.96 3cpw s GLY 78 Ca 0.50 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.60 3cpw s GLY 78 CO 0.32 0.07 0.06 0.54 0.00 0.00 0.00 173.10 174.09 3cpw n ARG 79 N -0.23 0.08 -3.28 2.90 1.74 -0.69 -4.75 116.66 112.44 3cpw n ARG 79 Ca -0.17 -0.43 -0.25 0.00 -0.77 0.00 0.00 57.85 56.23 3cpw n ARG 79 Cb 0.64 0.39 -0.07 0.00 -1.02 0.00 0.00 32.46 32.40 3cpw n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3cpw n TYR 80 N -0.09 1.91 -1.65 -1.55 4.02 -1.26 0.39 117.16 118.93 3cpw n TYR 80 Ca 0.01 -3.89 -0.17 0.00 -0.01 0.00 0.00 57.90 53.84 3cpw n TYR 80 Cb 0.08 -0.46 -0.06 0.00 -0.02 0.00 0.00 39.34 38.88 3cpw n TYR 80 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 3cpw s PRO 81 N -2.06 1.78 0.14 -0.72 0.02 -1.26 -4.77 135.00 128.13 3cpw s PRO 81 Ca 0.39 0.39 -0.09 0.00 0.02 0.00 0.00 61.00 61.71 3cpw s PRO 81 Cb 0.18 -4.82 -0.05 0.00 0.02 0.00 0.00 34.50 29.84 3cpw s PRO 81 CO -0.06 -4.22 1.41 1.05 -0.33 0.00 0.00 177.00 174.85 3cpw h GLU 82 N 12.76 0.75 0.42 5.54 4.11 -1.93 -2.60 114.58 133.63 3cpw h GLU 82 Ca 0.01 -0.52 -0.02 0.00 0.07 0.00 0.00 59.36 58.90 3cpw h GLU 82 Cb 1.01 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3cpw h GLU 82 CO 1.05 1.14 -0.20 -0.22 0.07 0.00 0.00 179.01 180.84 3cpw h LYS 83 N 0.55 -0.55 0.00 1.06 3.64 -2.00 -0.30 116.57 118.99 3cpw h LYS 83 Ca -0.01 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3cpw h LYS 83 Cb 1.22 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3cpw h LYS 83 CO 0.13 -0.25 -0.04 0.00 -2.27 0.00 0.00 179.45 177.02 3cpw h ALA 84 N -0.41 1.90 -0.24 5.00 0.00 -1.94 -1.64 119.26 121.93 3cpw h ALA 84 Ca -0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3cpw h ALA 84 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3cpw h ALA 84 CO 0.10 0.05 -0.26 0.77 0.00 0.00 0.00 179.25 179.90 3cpw h SER 85 N 0.00 0.64 -0.38 0.00 0.02 -1.28 -1.80 113.55 110.74 3cpw h SER 85 Ca -0.00 -0.49 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3cpw h SER 85 Cb 0.07 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3cpw h SER 85 CO 0.00 0.99 0.24 0.11 -1.14 0.00 0.00 176.83 177.03 3cpw h LYS 86 N 0.29 0.53 -0.31 3.45 1.57 -0.21 0.15 116.57 122.05 3cpw h LYS 86 Ca 0.03 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 3cpw h LYS 86 Cb 0.82 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3cpw h LYS 86 CO 0.06 0.37 -0.31 0.00 -0.57 0.00 0.00 179.45 179.00 3cpw h ALA 87 N 1.72 0.87 0.00 3.86 0.00 -1.10 -2.22 119.26 122.40 3cpw h ALA 87 Ca 0.14 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 3cpw h ALA 87 Cb -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3cpw h ALA 87 CO -0.03 0.63 -0.59 0.74 0.00 0.00 0.00 179.25 180.01 3cpw h PHE 88 N 0.56 0.00 -0.35 0.00 -1.00 -0.36 -1.75 116.94 114.05 3cpw h PHE 88 Ca 0.06 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.76 3cpw h PHE 88 Cb 0.81 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.36 3cpw h PHE 88 CO 0.04 0.59 -0.14 -0.07 -1.61 0.00 0.00 178.31 177.11 3cpw h LEU 89 N 0.00 0.60 -0.27 1.54 3.38 -0.67 0.33 115.31 120.23 3cpw h LEU 89 Ca -0.01 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3cpw h LEU 89 Cb 1.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3cpw h LEU 89 CO 0.08 0.77 0.01 0.44 0.09 0.00 0.00 178.44 179.83 3cpw h ASP 90 N 0.56 0.45 -0.19 -0.43 5.19 -1.10 0.18 116.42 121.07 3cpw h ASP 90 Ca 0.10 -0.29 0.02 0.00 -0.62 0.00 0.00 57.03 56.23 3cpw h ASP 90 Cb 0.57 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 3cpw h ASP 90 CO 0.04 0.63 0.07 0.25 -3.12 0.00 0.00 179.24 177.11 3cpw h LEU 91 N 0.25 0.08 -1.37 1.55 5.85 -0.78 -0.51 115.31 120.38 3cpw h LEU 91 Ca 0.08 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3cpw h LEU 91 Cb 0.39 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3cpw h LEU 91 CO 0.01 0.07 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.82 3cpw h LEU 92 N 0.16 0.02 -0.15 2.25 3.38 -0.18 0.08 115.31 120.88 3cpw h LEU 92 Ca 0.08 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3cpw h LEU 92 Cb 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3cpw h LEU 92 CO -0.08 0.32 -0.01 -0.08 0.09 0.00 0.00 178.44 178.68 3cpw h GLU 93 N 0.02 0.27 -0.42 1.13 4.81 0.10 -0.85 114.58 119.63 3cpw h GLU 93 Ca 0.00 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3cpw h GLU 93 Cb 0.54 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 3cpw h GLU 93 CO 0.04 0.51 0.16 -0.97 -0.73 0.00 0.00 179.01 178.02 3cpw h ASN 94 N -0.01 0.59 0.18 1.04 -1.24 -0.77 0.87 115.58 116.24 3cpw h ASN 94 Ca 0.04 -0.18 -0.01 0.00 0.71 0.00 0.00 56.30 56.86 3cpw h ASN 94 Cb 0.40 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.30 3cpw h ASN 94 CO 0.01 0.61 -0.09 0.00 -1.29 0.00 0.00 177.43 176.67 3cpw h ALA 95 N 1.00 -0.24 -0.67 1.57 0.00 -0.95 0.53 119.26 120.50 3cpw h ALA 95 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3cpw h ALA 95 Cb 0.21 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3cpw h ALA 95 CO -0.01 -0.55 0.37 0.28 0.00 0.00 0.00 179.25 179.33 3cpw h VAL 96 N -0.41 1.20 0.13 0.00 2.07 -1.14 -0.17 116.25 117.93 3cpw h VAL 96 Ca -0.02 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 3cpw h VAL 96 Cb 0.32 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3cpw h VAL 96 CO 0.04 0.22 -0.08 1.23 0.02 0.00 0.00 177.57 179.00 3cpw h GLY 97 N 0.98 -0.21 0.63 2.17 0.00 -0.49 -1.00 103.07 105.14 3cpw h GLY 97 Ca 0.24 0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.70 3cpw h GLY 97 CO -0.04 -0.09 -0.02 3.43 0.00 0.00 0.00 176.54 179.82 3cpw h ASN 98 N -0.21 -0.13 -0.59 0.19 -0.26 -0.40 -1.78 115.58 112.40 3cpw h ASN 98 Ca -0.01 0.05 0.12 0.00 -0.56 0.00 0.00 56.30 55.90 3cpw h ASN 98 Cb 0.18 0.10 -0.09 0.00 -1.06 0.00 0.00 38.32 37.45 3cpw h ASN 98 CO 0.01 -0.04 0.06 0.00 -1.06 0.00 0.00 177.43 176.40 3cpw h ALA 99 N 1.20 0.63 -0.60 -0.83 0.00 -0.73 -1.55 119.26 117.38 3cpw h ALA 99 Ca 0.10 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3cpw h ALA 99 Cb 0.14 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3cpw h ALA 99 CO -0.19 -0.36 0.15 -0.44 0.00 0.00 0.00 179.25 178.41 3cpw h ASP 100 N 0.18 0.90 0.20 0.00 3.32 -0.74 -1.84 116.42 118.45 3cpw h ASP 100 Ca 0.31 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3cpw h ASP 100 Cb 0.48 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3cpw h ASP 100 CO -0.45 0.90 0.00 1.57 -1.72 0.00 0.00 179.24 179.54 3cpw n HIS 101 N -4.36 0.00 0.61 4.55 -0.00 -0.63 -1.51 115.22 113.88 3cpw n HIS 101 Ca 0.03 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.28 3cpw n HIS 101 Cb 0.24 -0.45 -0.02 0.00 -0.12 0.00 0.00 29.99 29.64 3cpw n HIS 101 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 3cpw n GLN 102 N -1.45 2.05 0.00 1.57 6.02 -0.73 -5.00 117.38 119.83 3cpw n GLN 102 Ca 0.02 -0.55 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 3cpw n GLN 102 Cb 0.07 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.15 3cpw n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cpw n GLY 103 N 1.11 0.67 3.86 1.08 0.00 -0.57 -5.09 105.19 106.24 3cpw n GLY 103 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 3cpw n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3cpw n PHE 104 N -1.18 -3.75 -3.50 1.61 3.01 -0.94 -5.00 117.46 107.71 3cpw n PHE 104 Ca 0.00 -1.31 -0.41 0.00 1.01 0.00 0.00 57.45 56.73 3cpw n PHE 104 Cb 0.00 -0.95 -0.04 0.00 -0.01 0.00 0.00 39.48 38.47 3cpw n PHE 104 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3cpw s ASP 105 N -5.67 6.41 0.03 4.37 2.15 -1.26 -4.28 116.67 118.41 3cpw s ASP 105 Ca 0.73 -3.28 -0.06 0.00 0.43 0.00 0.00 52.55 50.37 3cpw s ASP 105 Cb -0.02 -2.05 -0.01 0.00 -0.30 0.00 0.00 42.92 40.53 3cpw s ASP 105 CO 0.51 -0.34 0.78 0.61 -0.17 0.00 0.00 175.17 176.56 3cpw n GLY 106 N 3.04 -2.06 0.42 2.66 0.00 -1.26 -1.14 105.19 106.84 3cpw n GLY 106 Ca 0.18 0.51 0.23 0.00 0.00 0.00 0.00 46.02 46.94 3cpw n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3cpw h GLU 107 N 0.00 0.35 0.00 1.61 5.08 -1.94 -0.69 114.58 118.99 3cpw h GLU 107 Ca 0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3cpw h GLU 107 Cb 0.07 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3cpw h GLU 107 CO -0.17 0.23 0.00 0.00 -1.00 0.00 0.00 179.01 178.07 3cpw n ALA 108 N -2.51 2.13 -1.76 3.43 0.00 -0.29 -1.69 120.51 119.81 3cpw n ALA 108 Ca 0.24 0.01 -0.35 0.00 0.00 0.00 0.00 53.44 53.33 3cpw n ALA 108 Cb 0.86 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.86 3cpw n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3cpw s MET 109 N -3.16 3.29 0.03 0.00 -1.94 -0.27 -4.63 119.30 112.62 3cpw s MET 109 Ca 0.09 1.63 -0.19 0.00 -1.71 0.00 0.00 55.69 55.51 3cpw s MET 109 Cb 0.11 -1.99 -0.06 0.00 2.01 0.00 0.00 34.83 34.90 3cpw s MET 109 CO 0.55 -0.90 0.56 0.99 -0.01 0.00 0.00 175.02 176.20 3cpw s THR 110 N -1.76 4.86 -1.05 2.05 2.01 0.19 -1.25 115.64 120.68 3cpw s THR 110 Ca 0.73 1.17 -0.23 0.00 0.31 0.00 0.00 61.69 63.68 3cpw s THR 110 Cb -0.25 -3.89 -0.00 0.00 0.01 0.00 0.00 72.50 68.37 3cpw s THR 110 CO 0.28 0.49 1.75 -0.63 -0.69 0.00 0.00 174.62 175.82 3cpw s ILE 111 N -0.66 3.72 0.20 1.82 1.01 0.07 -0.52 121.20 126.85 3cpw s ILE 111 Ca 0.29 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 3cpw s ILE 111 Cb -0.18 -4.63 0.12 0.00 0.01 0.00 0.00 42.46 37.78 3cpw s ILE 111 CO 0.17 -1.45 1.72 0.50 0.00 0.00 0.00 174.94 175.89 3cpw h LYS 112 N 9.98 1.15 -2.98 2.79 3.64 -1.37 -1.82 116.57 127.96 3cpw h LYS 112 Ca 0.20 -0.27 -0.15 0.00 -1.27 0.00 0.00 60.65 59.17 3cpw h LYS 112 Cb 0.98 -0.16 -0.25 0.00 -0.41 0.00 0.00 32.23 32.39 3cpw h LYS 112 CO 1.32 1.00 -0.36 -1.58 -2.27 0.00 0.00 179.45 177.57 3cpw s HIS 113 N -5.35 -0.34 -0.29 1.91 5.04 -1.04 -4.82 115.29 110.41 3cpw s HIS 113 Ca -0.12 0.84 -0.14 0.00 -1.54 0.00 0.00 55.06 54.10 3cpw s HIS 113 Cb 0.15 0.12 0.11 0.00 0.04 0.00 0.00 32.58 33.00 3cpw s HIS 113 CO 0.85 -0.17 0.74 0.54 -2.34 0.00 0.00 174.74 174.36 3cpw s VAL 114 N 0.21 -0.41 -0.07 0.89 0.11 -1.25 -0.24 120.40 119.64 3cpw s VAL 114 Ca -0.00 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.83 3cpw s VAL 114 Cb -0.02 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.87 3cpw s VAL 114 CO -0.00 0.00 0.49 0.00 -3.33 0.00 0.00 175.10 172.26 3cpw s ALA 115 N 2.14 -1.24 -0.00 1.54 0.00 -0.99 -4.75 121.76 118.45 3cpw s ALA 115 Ca -0.08 0.95 -0.01 0.00 0.00 0.00 0.00 51.96 52.82 3cpw s ALA 115 Cb -0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3cpw s ALA 115 CO -0.19 -0.29 0.10 0.00 0.00 0.00 0.00 175.76 175.38 3cpw s ALA 116 N -0.88 3.67 -0.02 0.00 0.00 -1.26 -1.89 121.76 121.37 3cpw s ALA 116 Ca -0.09 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.03 3cpw s ALA 116 Cb -0.03 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.45 3cpw s ALA 116 CO 0.05 0.71 -0.05 -1.01 0.00 0.00 0.00 175.76 175.46 3cpw s HIS 117 N -1.23 0.59 -0.32 0.00 3.76 0.04 -4.95 115.29 113.19 3cpw s HIS 117 Ca 0.24 -0.13 -0.26 0.00 -0.15 0.00 0.00 55.06 54.76 3cpw s HIS 117 Cb -0.12 -0.48 0.01 0.00 1.11 0.00 0.00 32.58 33.10 3cpw s HIS 117 CO 0.15 -0.09 0.93 0.21 -0.85 0.00 0.00 174.74 175.09 3cpw s LYS 118 N 0.40 3.98 0.00 1.40 2.20 -1.26 -1.27 119.74 125.20 3cpw s LYS 118 Ca -0.05 0.78 0.24 0.00 -0.36 0.00 0.00 55.97 56.59 3cpw s LYS 118 Cb -0.09 -3.74 0.33 0.00 -1.51 0.00 0.00 37.83 32.82 3cpw s LYS 118 CO -0.00 -0.81 1.30 0.28 -0.36 0.00 0.00 175.35 175.75 3cpw n VAL 119 N 5.74 0.00 -1.53 4.02 0.31 0.50 -4.97 118.33 122.40 3cpw n VAL 119 Ca 0.08 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3cpw n VAL 119 Cb 0.48 0.85 0.00 0.00 -0.91 0.00 0.00 33.84 34.26 3cpw n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cpw n GLY 120 N 1.39 -1.75 3.05 2.92 0.00 -1.18 -4.95 105.19 104.67 3cpw n GLY 120 Ca 0.10 -1.38 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 3cpw n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cpw s GLU 121 N -1.92 0.98 -0.28 1.61 2.02 -1.26 0.98 118.70 120.83 3cpw s GLU 121 Ca 0.00 -0.38 -0.23 0.00 0.02 0.00 0.00 54.97 54.38 3cpw s GLU 121 Cb 0.00 -0.93 -0.01 0.00 0.10 0.00 0.00 34.13 33.30 3cpw s GLU 121 CO 0.00 0.20 0.76 -1.14 0.02 0.00 0.00 175.26 175.11 3cpw s GLN 122 N -0.11 4.06 0.08 1.61 0.74 0.20 -4.87 119.66 121.36 3cpw s GLN 122 Ca 0.02 0.68 -0.30 0.00 0.05 0.00 0.00 55.36 55.80 3cpw s GLN 122 Cb -0.06 -3.69 -0.05 0.00 1.10 0.00 0.00 33.01 30.31 3cpw s GLN 122 CO -0.00 -0.57 0.97 -0.65 -0.55 0.00 0.00 175.29 174.49 3cpw s GLN 123 N 2.82 4.65 0.21 1.67 -0.21 -1.26 -0.91 119.66 126.63 3cpw s GLN 123 Ca 0.32 1.45 0.03 0.00 0.02 0.00 0.00 55.36 57.18 3cpw s GLN 123 Cb -0.15 -3.40 -0.05 0.00 1.00 0.00 0.00 33.01 30.41 3cpw s GLN 123 CO 0.10 0.12 -0.02 0.20 -2.12 0.00 0.00 175.29 173.57 3cpw s GLY 124 N 0.34 1.43 -0.03 3.09 0.00 -1.09 -4.94 107.32 106.11 3cpw s GLY 124 Ca 0.49 -1.70 -0.00 0.00 0.00 0.00 0.00 44.72 43.51 3cpw s GLY 124 CO 0.29 -1.63 0.01 -1.60 0.00 0.00 0.00 173.10 170.17 3cpw s ARG 125 N -3.86 0.26 -0.15 2.90 6.06 -1.26 -1.27 118.95 121.63 3cpw s ARG 125 Ca 0.26 0.12 -0.02 0.00 -2.50 0.00 0.00 55.73 53.60 3cpw s ARG 125 Cb 0.05 -0.52 -0.02 0.00 0.06 0.00 0.00 34.95 34.52 3cpw s ARG 125 CO 0.07 -0.18 -0.09 0.21 -2.50 0.00 0.00 175.30 172.81 3cpw s LYS 126 N 1.27 3.49 0.20 5.12 2.47 -0.31 -4.89 119.74 127.09 3cpw s LYS 126 Ca -0.06 -0.62 -0.30 0.00 -1.56 0.00 0.00 55.97 53.43 3cpw s LYS 126 Cb -0.13 -2.79 -0.09 0.00 -1.46 0.00 0.00 37.83 33.36 3cpw s LYS 126 CO -0.02 0.17 1.33 -2.14 0.16 0.00 0.00 175.35 174.84 3cpw s PRO 127 N 0.51 4.37 0.52 4.03 0.02 -1.26 -1.32 135.00 141.87 3cpw s PRO 127 Ca -0.06 2.09 0.02 0.00 0.02 0.00 0.00 61.00 63.07 3cpw s PRO 127 Cb -0.15 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3cpw s PRO 127 CO 0.03 -0.28 0.11 1.03 -0.33 0.00 0.00 177.00 177.56 3cpw s ARG 128 N -0.10 2.22 0.91 5.54 1.81 0.23 -4.93 118.95 124.63 3cpw s ARG 128 Ca 0.57 -2.32 -0.12 0.00 -1.72 0.00 0.00 55.73 52.14 3cpw s ARG 128 Cb -0.37 -1.67 0.14 0.00 -0.45 0.00 0.00 34.95 32.60 3cpw s ARG 128 CO 0.39 -0.44 1.10 0.00 -0.68 0.00 0.00 175.30 175.66 3cpw s ALA 129 N -2.86 1.49 -1.84 2.13 0.00 -1.26 -3.91 121.76 115.51 3cpw s ALA 129 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.87 3cpw s ALA 129 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.98 3cpw s ALA 129 CO 0.07 -2.40 0.00 -1.33 0.00 0.00 0.00 175.76 172.10 3cpw n MET 130 N -3.90 -1.64 -2.18 0.00 2.81 -1.26 -3.09 117.12 107.87 3cpw n MET 130 Ca 0.06 1.04 -0.14 0.00 -1.81 0.00 0.00 57.70 56.85 3cpw n MET 130 Cb 0.56 -5.67 -0.01 0.00 -0.71 0.00 0.00 33.22 27.39 3cpw n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3cpw n GLY 131 N -0.95 -0.04 3.32 3.03 0.00 -1.25 -5.02 105.19 104.28 3cpw n GLY 131 Ca -0.24 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 3cpw n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cpw s ARG 132 N -4.55 1.23 0.13 1.61 3.52 -1.18 -5.02 118.95 114.69 3cpw s ARG 132 Ca 0.00 -1.37 0.07 0.00 -0.13 0.00 0.00 55.73 54.30 3cpw s ARG 132 Cb 0.00 -1.29 -0.04 0.00 -1.56 0.00 0.00 34.95 32.06 3cpw s ARG 132 CO 0.00 0.26 -0.17 0.00 -0.81 0.00 0.00 175.30 174.59 3cpw s ALA 133 N -1.97 1.67 0.19 6.12 0.00 -1.26 0.76 121.76 127.27 3cpw s ALA 133 Ca 0.14 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.81 3cpw s ALA 133 Cb -0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 3cpw s ALA 133 CO 0.06 0.20 -0.00 -1.54 0.00 0.00 0.00 175.76 174.47 3cpw s SER 134 N -2.35 1.40 0.54 0.00 1.04 -0.44 -4.92 113.70 108.98 3cpw s SER 134 Ca 0.09 -1.18 -0.20 0.00 0.48 0.00 0.00 55.95 55.14 3cpw s SER 134 Cb -0.07 0.09 -0.06 0.00 0.10 0.00 0.00 66.02 66.08 3cpw s SER 134 CO 0.04 -0.55 1.02 0.00 0.98 0.00 0.00 173.24 174.74 3cpw n ALA 135 N -0.29 0.36 -2.86 5.32 0.00 -1.26 -1.16 120.51 120.62 3cpw n ALA 135 Ca -0.06 0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 3cpw n ALA 135 Cb 0.63 -2.13 0.01 0.00 0.00 0.00 0.00 19.45 17.96 3cpw n ALA 135 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3cpw n TRP 136 N -1.29 -2.88 -3.12 0.00 -0.00 -0.40 -4.61 117.44 105.15 3cpw n TRP 136 Ca 0.12 -2.02 -0.18 0.00 -0.00 0.00 0.00 57.50 55.42 3cpw n TRP 136 Cb 0.45 1.18 0.00 0.00 -0.00 0.00 0.00 31.31 32.94 3cpw n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3cpw s ASN 137 N -0.87 5.64 -0.12 5.87 0.01 -1.26 -2.69 114.94 121.52 3cpw s ASN 137 Ca 0.32 -0.42 0.03 0.00 -0.71 0.00 0.00 52.86 52.07 3cpw s ASN 137 Cb 0.15 -0.72 0.01 0.00 0.41 0.00 0.00 41.25 41.10 3cpw s ASN 137 CO -0.18 -0.71 -0.21 -0.44 -1.51 0.00 0.00 177.10 174.06 3cpw s SER 138 N -4.31 2.90 0.56 -1.22 0.01 -0.09 -4.93 113.70 106.63 3cpw s SER 138 Ca 0.53 -0.54 -0.20 0.00 1.31 0.00 0.00 55.95 57.05 3cpw s SER 138 Cb -0.09 -1.33 -0.05 0.00 0.21 0.00 0.00 66.02 64.76 3cpw s SER 138 CO 0.32 0.08 1.19 -2.84 0.41 0.00 0.00 173.24 172.40 3cpw s PRO 139 N 0.73 3.19 -0.20 12.44 0.02 -1.26 0.60 135.00 150.52 3cpw s PRO 139 Ca -0.10 1.77 -0.01 0.00 0.02 0.00 0.00 61.00 62.68 3cpw s PRO 139 Cb -0.16 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.35 3cpw s PRO 139 CO 0.01 -1.02 -0.14 -0.65 -0.33 0.00 0.00 177.00 174.88 3cpw s GLN 140 N -3.22 3.14 -0.09 5.54 -0.21 0.27 -3.65 119.66 121.43 3cpw s GLN 140 Ca 0.74 -0.75 0.03 0.00 0.02 0.00 0.00 55.36 55.40 3cpw s GLN 140 Cb -0.29 -2.74 -0.01 0.00 1.00 0.00 0.00 33.01 30.97 3cpw s GLN 140 CO 0.32 -0.21 -0.19 0.08 -2.12 0.00 0.00 175.29 173.17 3cpw s VAL 141 N 1.36 2.57 0.09 1.09 1.01 0.20 -0.37 120.40 126.35 3cpw s VAL 141 Ca 0.05 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.22 3cpw s VAL 141 Cb -0.14 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3cpw s VAL 141 CO -0.09 0.56 -0.00 -1.81 0.00 0.00 0.00 175.10 173.75 3cpw s ASP 142 N 0.01 5.02 -0.16 3.32 1.11 -0.39 -0.50 116.67 125.09 3cpw s ASP 142 Ca -0.07 -0.17 -0.10 0.00 0.18 0.00 0.00 52.55 52.39 3cpw s ASP 142 Cb -0.15 -1.20 0.05 0.00 1.07 0.00 0.00 42.92 42.70 3cpw s ASP 142 CO 0.05 0.18 0.39 0.54 1.18 0.00 0.00 175.17 177.50 3cpw s VAL 143 N -1.30 -0.02 -0.01 -1.27 0.11 -1.10 -0.78 120.40 116.03 3cpw s VAL 143 Ca 0.25 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 3cpw s VAL 143 Cb -0.12 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 3cpw s VAL 143 CO 0.18 0.03 0.03 -1.83 -3.33 0.00 0.00 175.10 170.18 3cpw s GLU 144 N 1.09 2.91 -0.02 1.54 -1.05 -0.79 -1.46 118.70 120.92 3cpw s GLU 144 Ca -0.07 -0.54 0.00 0.00 -0.15 0.00 0.00 54.97 54.21 3cpw s GLU 144 Cb -0.07 -2.76 0.03 0.00 -0.44 0.00 0.00 34.13 30.89 3cpw s GLU 144 CO -0.09 0.64 0.02 -1.17 0.95 0.00 0.00 175.26 175.62 3cpw s LEU 145 N -1.55 1.11 -0.17 1.83 2.96 0.09 -2.33 118.68 120.62 3cpw s LEU 145 Ca 0.20 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 3cpw s LEU 145 Cb -0.12 -0.09 0.03 0.00 0.50 0.00 0.00 46.19 46.51 3cpw s LEU 145 CO 0.11 -0.12 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.26 3cpw s ILE 146 N 1.04 1.63 0.07 6.68 1.01 0.66 -1.14 121.20 131.14 3cpw s ILE 146 Ca -0.09 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 3cpw s ILE 146 Cb -0.13 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 3cpw s ILE 146 CO -0.03 0.35 0.32 -0.76 0.00 0.00 0.00 174.94 174.82 3cpw s LEU 147 N 1.44 4.33 -0.03 2.97 1.43 0.11 -0.96 118.68 127.96 3cpw s LEU 147 Ca 0.02 0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 53.67 3cpw s LEU 147 Cb -0.14 -2.97 0.01 0.00 0.03 0.00 0.00 46.19 43.12 3cpw s LEU 147 CO -0.10 0.16 0.09 -0.70 0.23 0.00 0.00 176.35 176.03 3cpw s GLU 148 N -2.16 0.10 0.36 1.70 2.12 0.33 -1.40 118.70 119.75 3cpw s GLU 148 Ca 0.34 0.12 -0.27 0.00 0.36 0.00 0.00 54.97 55.51 3cpw s GLU 148 Cb -0.13 0.05 -0.12 0.00 0.26 0.00 0.00 34.13 34.19 3cpw s GLU 148 CO 0.20 -0.01 1.27 0.39 -0.54 0.00 0.00 175.26 176.57 3cpw n GLU 149 N 3.03 2.05 0.00 4.30 1.02 -1.05 -0.64 120.64 129.35 3cpw n GLU 149 Ca -0.12 0.72 0.01 0.00 -0.02 0.00 0.00 57.16 57.74 3cpw n GLU 149 Cb 0.59 -2.32 0.03 0.00 -0.02 0.00 0.00 31.44 29.73 3cpw n GLU 149 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01