#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2few s PHE 5 N 0.00 0.48 0.23 1.96 -0.12 -1.26 -4.83 117.98 114.45 2few s PHE 5 Ca 0.00 -0.27 -0.23 0.00 -0.05 0.00 0.00 56.93 56.38 2few s PHE 5 Cb 0.00 -0.30 -0.09 0.00 -0.63 0.00 0.00 43.02 42.00 2few s PHE 5 CO 0.00 -0.05 0.80 0.15 -0.05 0.00 0.00 175.22 176.07 2few s LYS 6 N -0.77 4.44 -0.03 1.99 1.02 -1.26 -5.06 119.74 120.07 2few s LYS 6 Ca -0.04 1.08 -0.00 0.00 0.02 0.00 0.00 55.97 57.03 2few s LYS 6 Cb -0.05 -2.97 0.03 0.00 -0.52 0.00 0.00 37.83 34.31 2few s LYS 6 CO -0.00 0.41 0.02 -1.17 -0.92 0.00 0.00 175.35 173.69 2few s LEU 7 N -1.76 0.89 0.00 3.17 2.96 -1.26 -4.70 118.68 117.98 2few s LEU 7 Ca 0.43 -0.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.34 2few s LEU 7 Cb -0.19 -0.21 0.00 0.00 0.50 0.00 0.00 46.19 46.29 2few s LEU 7 CO 0.23 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.73 2few n GLY 8 N 4.49 2.62 0.32 7.98 0.00 -1.26 -5.04 105.19 114.29 2few n GLY 8 Ca -0.20 -1.18 0.01 0.00 0.00 0.00 0.00 46.02 44.65 2few n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2few h ALA 9 N 1.72 1.52 0.00 4.61 0.00 -1.95 -2.44 119.26 122.71 2few h ALA 9 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2few h ALA 9 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2few h ALA 9 CO 0.00 0.41 0.00 1.05 0.00 0.00 0.00 179.25 180.71 2few h GLU 10 N 0.75 0.00 0.00 0.00 4.11 -2.02 -2.98 114.58 114.44 2few h GLU 10 Ca 0.19 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.59 2few h GLU 10 Cb 0.01 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 2few h GLU 10 CO -0.03 0.00 -0.45 0.27 0.07 0.00 0.00 179.01 178.87 2few n ASN 11 N -2.33 1.54 -4.22 3.06 6.94 -0.92 -4.99 115.26 114.33 2few n ASN 11 Ca 0.00 -3.06 -0.33 0.00 -0.02 0.00 0.00 54.58 51.17 2few n ASN 11 Cb 0.13 -0.41 -0.16 0.00 -2.36 0.00 0.00 39.78 36.98 2few n ASN 11 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2few s ILE 12 N -2.11 2.48 -0.28 1.53 1.01 -1.13 -0.94 121.20 121.77 2few s ILE 12 Ca 0.30 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.14 2few s ILE 12 Cb 0.30 -2.04 0.08 0.00 0.01 0.00 0.00 42.46 40.80 2few s ILE 12 CO -0.05 0.52 0.02 -0.36 0.00 0.00 0.00 174.94 175.07 2few s PHE 13 N 0.97 2.39 0.27 3.97 0.08 0.49 -4.97 117.98 121.17 2few s PHE 13 Ca -0.03 -1.96 0.03 0.00 0.12 0.00 0.00 56.93 55.10 2few s PHE 13 Cb -0.15 -1.87 -0.03 0.00 -0.57 0.00 0.00 43.02 40.40 2few s PHE 13 CO -0.03 -0.83 0.42 -0.51 -0.10 0.00 0.00 175.22 174.16 2few s LEU 14 N 1.39 4.22 -1.45 -0.37 1.43 -1.26 -0.30 118.68 122.33 2few s LEU 14 Ca 0.03 0.21 -0.09 0.00 -1.03 0.00 0.00 54.13 53.25 2few s LEU 14 Cb -0.18 -3.02 0.03 0.00 0.03 0.00 0.00 46.19 43.05 2few s LEU 14 CO -0.12 -0.13 0.90 0.61 0.23 0.00 0.00 176.35 177.84 2few n GLY 15 N -1.43 -0.52 3.91 -3.19 0.00 -1.20 -4.88 105.19 97.87 2few n GLY 15 Ca -0.07 0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 2few n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2few s ARG 16 N -6.18 2.05 -0.01 1.61 1.81 0.18 -4.95 118.95 113.47 2few s ARG 16 Ca 0.51 -0.03 -0.01 0.00 -1.72 0.00 0.00 55.73 54.48 2few s ARG 16 Cb -0.24 -2.03 0.00 0.00 -0.45 0.00 0.00 34.95 32.23 2few s ARG 16 CO 0.63 -1.46 0.03 0.15 -0.68 0.00 0.00 175.30 173.96 2few s LYS 17 N -5.45 0.05 -0.22 3.54 1.02 -1.26 -4.18 119.74 113.23 2few s LYS 17 Ca 0.61 0.02 -0.15 0.00 0.02 0.00 0.00 55.97 56.47 2few s LYS 17 Cb -0.11 0.02 0.06 0.00 -0.52 0.00 0.00 37.83 37.29 2few s LYS 17 CO 0.47 -0.01 0.55 0.00 -0.92 0.00 0.00 175.35 175.45 2few s ALA 18 N -0.04 -1.43 -0.01 5.17 0.00 -1.26 -4.99 121.76 119.21 2few s ALA 18 Ca -0.01 1.83 0.14 0.00 0.00 0.00 0.00 51.96 53.93 2few s ALA 18 Cb -0.01 -1.09 0.17 0.00 0.00 0.00 0.00 23.12 22.20 2few s ALA 18 CO 0.00 -0.30 1.49 0.00 0.00 0.00 0.00 175.76 176.95 2few h ALA 19 N 6.45 0.70 -2.38 0.00 0.00 -1.99 -3.45 119.26 118.59 2few h ALA 19 Ca -0.32 -0.52 -0.31 0.00 0.00 0.00 0.00 54.91 53.76 2few h ALA 19 Cb 1.19 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.74 2few h ALA 19 CO 0.20 0.72 -0.72 0.95 0.00 0.00 0.00 179.25 180.41 2few s THR 20 N -3.09 1.03 0.34 0.00 -4.23 -1.26 -4.85 115.64 103.58 2few s THR 20 Ca 0.02 -1.92 0.07 0.00 -1.18 0.00 0.00 61.69 58.69 2few s THR 20 Cb 0.09 -1.68 0.11 0.00 1.34 0.00 0.00 72.50 72.36 2few s THR 20 CO 0.75 -0.71 1.83 0.07 -0.54 0.00 0.00 174.62 176.01 2few h LYS 21 N 3.04 0.31 -0.79 3.99 2.10 -1.90 -2.67 116.57 120.65 2few h LYS 21 Ca -0.37 -0.09 -0.01 0.00 -2.00 0.00 0.00 60.65 58.18 2few h LYS 21 Cb 1.19 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 32.45 2few h LYS 21 CO 0.61 0.50 0.46 0.93 -2.00 0.00 0.00 179.45 179.94 2few h GLU 22 N 0.28 1.08 -0.65 0.07 3.07 -1.96 0.93 114.58 117.40 2few h GLU 22 Ca 0.05 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 58.77 2few h GLU 22 Cb 0.52 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 2few h GLU 22 CO 0.04 0.78 0.29 0.93 -1.40 0.00 0.00 179.01 179.64 2few h GLU 23 N 1.08 0.95 -0.54 2.33 5.08 -1.91 -0.82 114.58 120.75 2few h GLU 23 Ca 0.28 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2few h GLU 23 Cb -0.01 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 2few h GLU 23 CO -0.05 0.78 0.19 0.00 -1.00 0.00 0.00 179.01 178.93 2few h ALA 24 N 1.12 0.70 -0.60 3.43 0.00 -1.09 -1.91 119.26 120.91 2few h ALA 24 Ca 0.22 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2few h ALA 24 Cb 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2few h ALA 24 CO -0.02 0.34 0.23 0.82 0.00 0.00 0.00 179.25 180.62 2few h ILE 25 N 0.74 1.23 -0.67 0.00 2.04 -0.66 -1.46 117.51 118.74 2few h ILE 25 Ca 0.18 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 2few h ILE 25 Cb 0.25 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2few h ILE 25 CO -0.01 0.29 0.32 -0.09 0.00 0.00 0.00 178.15 178.66 2few h ARG 26 N 0.84 0.95 -0.04 2.37 2.43 -1.02 0.57 114.38 120.48 2few h ARG 26 Ca 0.20 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2few h ARG 26 Cb 0.22 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2few h ARG 26 CO -0.01 0.74 -0.00 0.35 -1.51 0.00 0.00 179.97 179.53 2few h PHE 27 N 0.95 0.08 -0.45 2.20 3.57 -1.03 0.23 116.94 122.49 2few h PHE 27 Ca 0.23 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.77 2few h PHE 27 Cb 0.10 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 2few h PHE 27 CO 0.01 0.39 0.16 0.00 -2.23 0.00 0.00 178.31 176.64 2few h ALA 28 N 0.68 0.54 -0.65 2.41 0.00 -1.02 -1.08 119.26 120.13 2few h ALA 28 Ca 0.01 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2few h ALA 28 Cb 0.36 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2few h ALA 28 CO 0.00 -0.23 0.40 0.78 0.00 0.00 0.00 179.25 180.20 2few h GLY 29 N 0.33 0.94 1.16 0.00 0.00 -0.77 -0.72 103.07 104.01 2few h GLY 29 Ca 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2few h GLY 29 CO -0.22 0.24 0.45 0.83 0.00 0.00 0.00 176.54 177.84 2few h GLU 30 N 0.77 1.10 -0.09 4.80 5.08 -0.24 -1.54 114.58 124.47 2few h GLU 30 Ca 0.27 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.34 2few h GLU 30 Cb 0.06 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2few h GLU 30 CO -0.12 0.80 -0.70 1.96 -1.00 0.00 0.00 179.01 179.95 2few h GLN 31 N 1.11 0.39 -0.63 2.33 1.08 -0.64 0.48 115.11 119.24 2few h GLN 31 Ca 0.28 -0.31 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 2few h GLN 31 Cb 0.01 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 2few h GLN 31 CO -0.05 0.94 0.16 -0.07 -0.95 0.00 0.00 178.83 178.86 2few h LEU 32 N 0.27 0.93 -0.14 1.46 3.38 -0.87 -1.31 115.31 119.03 2few h LEU 32 Ca -0.02 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2few h LEU 32 Cb 1.26 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 2few h LEU 32 CO 0.12 0.89 -0.06 0.58 0.09 0.00 0.00 178.44 180.06 2few h VAL 33 N 0.94 1.31 -1.00 1.22 2.07 -1.09 -0.80 116.25 118.90 2few h VAL 33 Ca 0.20 -1.08 0.09 0.00 0.82 0.00 0.00 66.70 66.73 2few h VAL 33 Cb 0.33 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 2few h VAL 33 CO -0.00 0.32 0.64 0.50 0.02 0.00 0.00 177.57 179.05 2few h LYS 34 N -0.05 1.07 -0.20 1.57 3.64 -0.65 -2.07 116.57 119.88 2few h LYS 34 Ca 0.03 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2few h LYS 34 Cb 0.52 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2few h LYS 34 CO 0.02 0.71 0.00 0.41 -2.27 0.00 0.00 179.45 178.32 2few n GLY 35 N -1.36 -0.01 2.20 5.01 0.00 -0.52 -4.90 105.19 105.62 2few n GLY 35 Ca 0.17 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 2few n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2few n GLY 36 N 0.89 0.87 0.14 -0.02 0.00 -0.78 -4.92 105.19 101.36 2few n GLY 36 Ca 0.09 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 2few n GLY 36 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2few h TYR 37 N 0.00 0.72 -4.15 1.61 0.05 -1.34 -3.39 116.97 110.47 2few h TYR 37 Ca -0.15 -0.49 -0.14 0.00 0.05 0.00 0.00 58.73 57.99 2few h TYR 37 Cb 0.53 -0.04 -0.15 0.00 1.01 0.00 0.00 36.73 38.07 2few h TYR 37 CO 0.20 1.37 -0.68 0.14 -1.05 0.00 0.00 178.16 178.13 2few s VAL 38 N -2.79 0.31 0.55 -2.88 -7.23 -1.13 0.49 120.40 107.72 2few s VAL 38 Ca -0.06 -1.82 -0.06 0.00 -1.81 0.00 0.00 61.98 58.23 2few s VAL 38 Cb 0.06 -1.53 -0.01 0.00 0.56 0.00 0.00 36.38 35.47 2few s VAL 38 CO 0.91 -0.97 0.86 -1.61 -0.31 0.00 0.00 175.10 173.98 2few s GLU 39 N -3.85 3.18 0.39 4.82 2.02 0.38 -4.28 118.70 121.36 2few s GLU 39 Ca 0.07 0.09 0.17 0.00 0.02 0.00 0.00 54.97 55.33 2few s GLU 39 Cb 0.07 -2.31 1.07 0.00 0.10 0.00 0.00 34.13 33.07 2few s GLU 39 CO -0.09 -0.51 1.79 -1.35 0.02 0.00 0.00 175.26 175.12 2few h PRO 40 N -0.03 0.41 0.00 0.39 0.11 -1.96 -1.82 132.00 129.11 2few h PRO 40 Ca -0.46 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2few h PRO 40 Cb 1.23 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2few h PRO 40 CO 0.61 0.27 -0.00 0.93 -0.21 0.00 0.00 178.00 179.60 2few h GLU 41 N 0.42 0.00 0.00 1.05 3.07 -1.94 -2.72 114.58 114.47 2few h GLU 41 Ca 0.57 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.38 2few h GLU 41 Cb 1.40 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.31 2few h GLU 41 CO -0.28 0.00 -0.26 -0.92 -1.40 0.00 0.00 179.01 176.15 2few h TYR 42 N 0.00 0.00 -0.11 4.33 3.20 -1.63 -2.98 116.97 119.77 2few h TYR 42 Ca -0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2few h TYR 42 Cb 0.03 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2few h TYR 42 CO 0.00 0.26 0.07 0.28 -1.64 0.00 0.00 178.16 177.13 2few h VAL 43 N 0.00 1.06 -0.24 1.81 2.07 -1.69 -0.98 116.25 118.28 2few h VAL 43 Ca -0.00 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 2few h VAL 43 Cb 0.52 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2few h VAL 43 CO 0.03 0.05 -0.23 -0.61 0.02 0.00 0.00 177.57 176.84 2few h GLN 44 N 0.12 0.45 -0.23 1.57 5.75 -1.76 -2.13 115.11 118.89 2few h GLN 44 Ca 0.04 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 2few h GLN 44 Cb 0.03 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 2few h GLN 44 CO -0.01 0.65 0.06 0.00 -2.65 0.00 0.00 178.83 176.89 2few h ALA 45 N 1.36 1.69 -0.35 3.38 0.00 -1.29 0.59 119.26 124.64 2few h ALA 45 Ca 0.06 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2few h ALA 45 Cb 0.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2few h ALA 45 CO 0.04 0.24 -0.37 0.52 0.00 0.00 0.00 179.25 179.69 2few h MET 46 N 0.32 0.83 -0.32 0.00 2.86 -0.54 -0.72 114.93 117.36 2few h MET 46 Ca 0.08 -0.42 -0.17 0.00 -2.06 0.00 0.00 59.70 57.13 2few h MET 46 Cb 0.11 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 2few h MET 46 CO -0.01 1.06 -0.46 -0.07 1.06 0.00 0.00 176.91 178.49 2few h LEU 47 N 0.68 0.93 -0.52 1.22 3.38 -0.87 -1.99 115.31 118.14 2few h LEU 47 Ca 0.06 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.61 2few h LEU 47 Cb 0.93 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2few h LEU 47 CO 0.09 1.24 0.29 0.44 0.09 0.00 0.00 178.44 180.58 2few h ASP 48 N 0.68 0.44 -0.67 -0.43 3.32 0.24 -2.45 116.42 117.54 2few h ASP 48 Ca 0.04 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2few h ASP 48 Cb 1.05 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 2few h ASP 48 CO 0.10 0.30 0.26 -0.09 -1.72 0.00 0.00 179.24 178.10 2few h ARG 49 N 0.56 1.03 -0.63 3.56 9.65 -0.95 -2.84 114.38 124.76 2few h ARG 49 Ca 0.22 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 2few h ARG 49 Cb 0.09 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 2few h ARG 49 CO -0.13 0.85 0.35 1.05 2.80 0.00 0.00 179.97 184.89 2few h GLU 50 N 1.01 0.86 -0.66 0.20 4.11 -0.91 -2.49 114.58 116.70 2few h GLU 50 Ca 0.23 -0.09 -0.03 0.00 0.07 0.00 0.00 59.36 59.54 2few h GLU 50 Cb 0.22 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2few h GLU 50 CO -0.02 0.63 0.29 0.87 0.07 0.00 0.00 179.01 180.85 2few h LYS 51 N 0.87 0.96 -0.70 1.06 1.57 -1.22 -3.05 116.57 116.06 2few h LYS 51 Ca 0.22 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2few h LYS 51 Cb 0.01 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 2few h LYS 51 CO -0.04 0.77 0.42 -0.07 -0.57 0.00 0.00 179.45 179.96 2few h LEU 52 N 0.95 0.84 -7.00 2.94 3.38 -1.40 -3.45 115.31 111.58 2few h LEU 52 Ca 0.23 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.25 2few h LEU 52 Cb 0.15 -0.21 -0.29 0.00 0.09 0.00 0.00 40.66 40.39 2few h LEU 52 CO -0.02 0.66 0.61 -0.89 0.09 0.00 0.00 178.44 178.89 2few s THR 53 N -5.96 0.00 0.67 0.22 2.01 -1.15 -5.16 115.64 106.27 2few s THR 53 Ca -0.13 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.70 2few s THR 53 Cb 0.14 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 2few s THR 53 CO 0.78 0.00 0.94 -2.65 -0.69 0.00 0.00 174.62 173.00 2few n PRO 54 N 2.26 0.66 -0.38 4.92 -0.02 -1.24 -4.48 135.00 136.72 2few n PRO 54 Ca -0.13 0.27 0.12 0.00 -2.02 0.00 0.00 63.50 61.74 2few n PRO 54 Cb 0.56 -2.17 0.33 0.00 -0.02 0.00 0.00 33.50 32.20 2few n PRO 54 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2few n THR 55 N -2.18 0.99 -1.93 3.45 5.66 -1.26 -4.91 114.28 114.10 2few n THR 55 Ca 0.13 -0.99 -0.41 0.00 -3.05 0.00 0.00 64.05 59.73 2few n THR 55 Cb 0.49 0.49 -0.01 0.00 -1.55 0.00 0.00 70.33 69.75 2few n THR 55 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 2few s TYR 56 N -1.01 2.84 -0.22 1.09 5.04 -1.26 -1.81 117.35 122.01 2few s TYR 56 Ca 0.49 1.12 0.04 0.00 -2.44 0.00 0.00 57.07 56.28 2few s TYR 56 Cb 0.26 -3.90 0.10 0.00 0.35 0.00 0.00 41.96 38.77 2few s TYR 56 CO 0.34 -2.74 1.08 1.28 -1.34 0.00 0.00 175.55 174.16 2few n LEU 57 N 1.35 2.27 0.00 6.97 4.77 0.34 -4.94 117.00 127.76 2few n LEU 57 Ca 0.04 -2.09 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 2few n LEU 57 Cb 0.40 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2few n LEU 57 CO 0.62 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 2few n GLY 58 N -0.33 -0.89 3.62 -0.72 0.00 -1.24 -4.92 105.19 100.70 2few n GLY 58 Ca 0.04 -1.66 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 2few n GLY 58 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2few n GLU 59 N -1.04 -5.32 -1.70 1.61 1.02 -1.26 -2.42 120.64 111.53 2few n GLU 59 Ca 0.00 0.66 -0.17 0.00 -0.02 0.00 0.00 57.16 57.63 2few n GLU 59 Cb 0.00 -5.53 -0.06 0.00 -0.02 0.00 0.00 31.44 25.83 2few n GLU 59 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2few n SER 60 N -2.70 -5.02 -4.32 1.62 2.88 -1.26 -4.96 113.62 99.87 2few n SER 60 Ca 0.00 0.31 -0.32 0.00 -1.33 0.00 0.00 58.87 57.54 2few n SER 60 Cb 0.55 -4.03 -0.16 0.00 -0.75 0.00 0.00 64.21 59.82 2few n SER 60 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2few s ILE 61 N -2.68 2.26 0.01 2.46 1.01 -1.02 -0.84 121.20 122.40 2few s ILE 61 Ca 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 59.69 2few s ILE 61 Cb 0.00 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 2few s ILE 61 CO 0.00 0.57 -0.13 0.00 0.00 0.00 0.00 174.94 175.39 2few s ALA 62 N -0.34 1.05 -0.51 9.38 0.00 0.02 -0.50 121.76 130.86 2few s ALA 62 Ca 0.02 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 51.42 2few s ALA 62 Cb -0.12 -0.22 0.24 0.00 0.00 0.00 0.00 23.12 23.02 2few s ALA 62 CO 0.02 0.23 0.60 1.33 0.00 0.00 0.00 175.76 177.94 2few n VAL 63 N 2.44 0.64 -1.93 0.00 0.24 -0.75 -0.24 118.33 118.74 2few n VAL 63 Ca -0.16 -4.52 -0.40 0.00 -2.04 0.00 0.00 64.34 57.22 2few n VAL 63 Cb 0.55 -2.01 -0.00 0.00 -1.47 0.00 0.00 33.84 30.91 2few n VAL 63 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2few s PRO 64 N -1.67 4.01 0.26 7.34 0.04 -1.22 -4.78 135.00 138.99 2few s PRO 64 Ca 0.37 2.35 -0.12 0.00 0.04 0.00 0.00 61.00 63.64 2few s PRO 64 Cb 0.15 -2.85 -0.00 0.00 0.04 0.00 0.00 34.50 31.83 2few s PRO 64 CO -0.08 -0.53 0.49 1.14 0.04 0.00 0.00 177.00 178.06 2few s GLN 65 N -2.17 1.61 0.74 4.56 0.00 -1.26 -1.27 119.66 121.87 2few s GLN 65 Ca 0.55 -1.31 -0.08 0.00 -0.00 0.00 0.00 55.36 54.52 2few s GLN 65 Cb -0.42 0.47 0.07 0.00 0.00 0.00 0.00 33.01 33.13 2few s GLN 65 CO 0.56 -0.67 1.07 0.20 0.00 0.00 0.00 175.29 176.44 2few s GLY 66 N -3.04 1.67 0.79 2.60 0.00 -1.26 -4.19 107.32 103.89 2few s GLY 66 Ca 0.23 -0.89 -0.12 0.00 0.00 0.00 0.00 44.72 43.94 2few s GLY 66 CO 0.10 -0.45 1.14 -0.51 0.00 0.00 0.00 173.10 173.39 2few s THR 67 N -3.35 2.56 0.56 0.90 -4.23 -1.20 -4.90 115.64 105.98 2few s THR 67 Ca 0.61 0.18 0.24 0.00 -1.18 0.00 0.00 61.69 61.54 2few s THR 67 Cb -0.10 -3.13 0.32 0.00 1.34 0.00 0.00 72.50 70.93 2few s THR 67 CO 0.46 -0.24 2.19 1.62 -0.54 0.00 0.00 174.62 178.11 2few h VAL 68 N -0.98 0.72 0.00 2.29 3.04 -1.97 -0.97 116.25 118.37 2few h VAL 68 Ca -0.46 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.18 2few h VAL 68 Cb 1.30 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 31.55 2few h VAL 68 CO 0.64 0.00 -0.25 -0.08 -1.01 0.00 0.00 177.57 176.87 2few h GLU 69 N 0.00 0.00 -0.46 4.17 4.81 -2.00 -2.86 114.58 118.24 2few h GLU 69 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2few h GLU 69 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2few h GLU 69 CO -0.00 0.25 0.00 0.00 -0.73 0.00 0.00 179.01 178.53 2few n ALA 70 N -2.39 2.56 -0.30 2.92 0.00 -0.37 -4.57 120.51 118.35 2few n ALA 70 Ca -0.02 -0.75 0.14 0.00 0.00 0.00 0.00 53.44 52.81 2few n ALA 70 Cb 0.33 -0.98 0.38 0.00 0.00 0.00 0.00 19.45 19.18 2few n ALA 70 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2few h LYS 71 N 2.32 0.65 0.00 0.00 2.10 -1.61 -0.67 116.57 119.35 2few h LYS 71 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2few h LYS 71 Cb 0.65 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 2few h LYS 71 CO 0.04 0.43 0.00 -0.25 -2.00 0.00 0.00 179.45 177.67 2few n ASP 72 N -4.62 0.00 -0.93 7.07 8.00 -1.26 -2.60 116.55 122.21 2few n ASP 72 Ca 0.20 -0.73 0.12 0.00 0.71 0.00 0.00 54.79 55.09 2few n ASP 72 Cb 0.56 -0.06 0.24 0.00 -0.02 0.00 0.00 41.12 41.84 2few n ASP 72 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2few n ARG 73 N -1.06 2.24 -3.28 -1.24 5.12 -0.26 -4.86 116.66 113.31 2few n ARG 73 Ca 0.20 -1.85 -0.39 0.00 -1.93 0.00 0.00 57.85 53.88 2few n ARG 73 Cb 0.13 -1.47 -0.07 0.00 -1.16 0.00 0.00 32.46 29.88 2few n ARG 73 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2few s VAL 74 N -1.72 5.13 -0.15 1.55 1.01 -1.07 -0.47 120.40 124.68 2few s VAL 74 Ca 0.35 0.89 0.01 0.00 0.00 0.00 0.00 61.98 63.23 2few s VAL 74 Cb 0.21 -3.81 -0.23 0.00 0.00 0.00 0.00 36.38 32.55 2few s VAL 74 CO 0.30 0.20 0.22 0.18 0.00 0.00 0.00 175.10 176.01 2few n LEU 75 N 4.66 2.23 -3.56 3.92 4.77 0.18 -4.96 117.00 124.25 2few n LEU 75 Ca -0.06 0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 55.89 2few n LEU 75 Cb 0.51 -0.72 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 2few n LEU 75 CO 0.41 0.78 0.45 -1.59 -1.33 0.00 0.00 177.39 176.11 2few s LYS 76 N -2.55 0.96 0.22 3.23 -2.85 -0.65 -5.02 119.74 113.09 2few s LYS 76 Ca -0.22 0.48 -0.32 0.00 -1.00 0.00 0.00 55.97 54.92 2few s LYS 76 Cb 0.07 0.46 -0.12 0.00 -2.06 0.00 0.00 37.83 36.19 2few s LYS 76 CO 0.74 -0.25 1.67 0.99 0.10 0.00 0.00 175.35 178.60 2few s THR 77 N -0.69 2.14 0.11 3.79 2.01 -1.26 -4.63 115.64 117.10 2few s THR 77 Ca -0.07 0.10 -0.25 0.00 0.31 0.00 0.00 61.69 61.78 2few s THR 77 Cb -0.02 -3.06 0.08 0.00 0.01 0.00 0.00 72.50 69.51 2few s THR 77 CO 0.07 0.01 0.75 -0.83 -0.69 0.00 0.00 174.62 173.93 2few s GLY 78 N 1.04 -0.47 0.04 4.40 0.00 0.55 -4.78 107.32 108.10 2few s GLY 78 Ca 0.72 0.57 0.02 0.00 0.00 0.00 0.00 44.72 46.02 2few s GLY 78 CO 0.35 0.18 -0.07 -1.34 0.00 0.00 0.00 173.10 172.22 2few s VAL 79 N -3.49 0.47 -0.16 1.40 -7.23 -1.26 -1.17 120.40 108.97 2few s VAL 79 Ca 0.05 -1.02 -0.00 0.00 -1.81 0.00 0.00 61.98 59.19 2few s VAL 79 Cb -0.02 -0.54 0.04 0.00 0.56 0.00 0.00 36.38 36.42 2few s VAL 79 CO -0.08 -0.39 -0.06 0.68 -0.31 0.00 0.00 175.10 174.94 2few s VAL 80 N -1.35 1.13 -0.37 1.32 -7.23 0.52 -4.88 120.40 109.53 2few s VAL 80 Ca -0.11 -0.57 -0.23 0.00 -1.81 0.00 0.00 61.98 59.26 2few s VAL 80 Cb -0.10 -1.26 0.01 0.00 0.56 0.00 0.00 36.38 35.59 2few s VAL 80 CO 0.00 0.19 0.76 0.12 -0.31 0.00 0.00 175.10 175.86 2few s PHE 81 N 1.63 3.11 -0.16 2.82 2.19 -0.11 -1.06 117.98 126.39 2few s PHE 81 Ca 0.02 0.49 0.02 0.00 0.33 0.00 0.00 56.93 57.78 2few s PHE 81 Cb -0.15 -3.38 0.02 0.00 -1.31 0.00 0.00 43.02 38.20 2few s PHE 81 CO -0.08 -0.74 -0.21 0.00 1.83 0.00 0.00 175.22 176.03 2few s GLN 83 N 1.11 4.09 -0.55 0.00 0.74 0.59 -0.84 119.66 124.80 2few s GLN 83 Ca 0.00 -0.26 0.04 0.00 0.05 0.00 0.00 55.36 55.19 2few s GLN 83 Cb -0.14 -3.51 0.14 0.00 1.10 0.00 0.00 33.01 30.60 2few s GLN 83 CO -0.09 0.11 0.33 0.71 -0.55 0.00 0.00 175.29 175.80 2few s TYR 84 N 0.91 2.87 0.39 1.67 1.51 0.14 -0.64 117.35 124.19 2few s TYR 84 Ca 0.08 -2.99 0.10 0.00 -1.01 0.00 0.00 57.07 53.25 2few s TYR 84 Cb -0.13 -2.44 0.88 0.00 -0.11 0.00 0.00 41.96 40.16 2few s TYR 84 CO 0.03 -0.70 1.93 -1.35 -1.11 0.00 0.00 175.55 174.35 2few h PRO 85 N 6.19 0.59 0.00 -1.71 0.11 -1.73 0.75 132.00 136.20 2few h PRO 85 Ca 0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2few h PRO 85 Cb 0.86 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2few h PRO 85 CO 0.63 0.39 -0.05 0.39 -0.21 0.00 0.00 178.00 179.14 2few n GLU 86 N -4.50 0.11 0.00 1.05 1.02 -1.26 -4.98 120.64 112.08 2few n GLU 86 Ca 0.13 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2few n GLU 86 Cb 0.39 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2few n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2few n GLY 87 N 1.42 -0.85 2.73 0.62 0.00 0.26 -5.02 105.19 104.34 2few n GLY 87 Ca 0.06 -1.54 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 2few n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2few s VAL 88 N -3.13 0.14 0.10 1.61 1.01 -0.04 -4.79 120.40 115.29 2few s VAL 88 Ca 0.00 0.25 -0.31 0.00 0.00 0.00 0.00 61.98 61.92 2few s VAL 88 Cb 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 36.38 35.95 2few s VAL 88 CO 0.00 0.21 1.80 -0.60 0.00 0.00 0.00 175.10 176.51 2few s ARG 89 N 1.93 4.15 0.00 2.72 3.52 -1.26 -0.79 118.95 129.22 2few s ARG 89 Ca 0.03 2.53 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 2few s ARG 89 Cb -0.12 -3.67 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 2few s ARG 89 CO -0.04 -0.83 0.00 1.19 -0.81 0.00 0.00 175.30 174.81 2few n PHE 90 N 5.93 0.00 -1.46 5.12 3.72 0.02 -4.12 117.46 126.67 2few n PHE 90 Ca 0.18 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.55 2few n PHE 90 Cb 0.39 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.95 2few n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2few n GLY 91 N 2.15 -0.55 0.08 1.37 0.00 -0.81 -4.48 105.19 102.95 2few n GLY 91 Ca 0.00 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 2few n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2few h GLU 92 N 0.00 0.10 -6.85 1.61 5.08 -1.97 -3.45 114.58 109.11 2few h GLU 92 Ca -0.03 -0.01 -0.45 0.00 -1.00 0.00 0.00 59.36 57.87 2few h GLU 92 Cb 0.10 -0.02 0.04 0.00 0.50 0.00 0.00 28.75 29.37 2few h GLU 92 CO 0.03 0.07 -0.01 -1.21 -1.00 0.00 0.00 179.01 176.88 2few s GLU 93 N -6.18 2.77 0.50 2.33 2.02 -1.26 -5.00 118.70 113.88 2few s GLU 93 Ca -0.13 -0.53 0.28 0.00 0.02 0.00 0.00 54.97 54.60 2few s GLU 93 Cb 0.08 -2.47 1.25 0.00 0.10 0.00 0.00 34.13 33.09 2few s GLU 93 CO 0.68 -0.57 1.96 0.93 0.02 0.00 0.00 175.26 178.28 2few h GLU 94 N 0.12 0.00 0.00 1.61 4.39 -2.02 -1.72 114.58 116.96 2few h GLU 94 Ca -0.44 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.26 2few h GLU 94 Cb 1.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2few h GLU 94 CO 0.56 0.14 -0.00 0.22 -1.16 0.00 0.00 179.01 178.77 2few h ASP 95 N 0.00 0.00 -0.92 1.42 3.58 -1.95 -3.40 116.42 115.15 2few h ASP 95 Ca -0.00 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.77 2few h ASP 95 Cb 0.53 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.50 2few h ASP 95 CO 0.02 0.00 2.18 0.47 -2.88 0.00 0.00 179.24 179.03 2few n ASP 96 N -3.10 4.94 -4.70 2.28 8.00 -0.65 -4.94 116.55 118.38 2few n ASP 96 Ca 0.02 -2.92 -0.35 0.00 0.71 0.00 0.00 54.79 52.25 2few n ASP 96 Cb 0.43 -1.74 -0.09 0.00 -0.02 0.00 0.00 41.12 39.70 2few n ASP 96 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2few s ILE 97 N 4.08 4.88 -0.15 0.53 -1.09 -1.26 -0.80 121.20 127.40 2few s ILE 97 Ca 0.53 -0.01 -0.04 0.00 -2.23 0.00 0.00 60.65 58.90 2few s ILE 97 Cb 0.04 -3.16 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 2few s ILE 97 CO 0.07 0.52 -0.01 0.00 -1.23 0.00 0.00 174.94 174.29 2few s ALA 98 N -0.16 3.13 -0.29 9.38 0.00 0.03 -3.98 121.76 129.88 2few s ALA 98 Ca 0.08 -0.80 0.17 0.00 0.00 0.00 0.00 51.96 51.41 2few s ALA 98 Cb -0.12 -1.60 -0.24 0.00 0.00 0.00 0.00 23.12 21.16 2few s ALA 98 CO 0.01 0.29 0.50 0.54 0.00 0.00 0.00 175.76 177.10 2few n ARG 99 N 3.24 0.82 -4.00 0.00 1.74 -0.02 -0.86 116.66 117.58 2few n ARG 99 Ca -0.17 -0.11 -0.34 0.00 -0.77 0.00 0.00 57.85 56.46 2few n ARG 99 Cb 0.53 -1.38 -0.15 0.00 -1.02 0.00 0.00 32.46 30.44 2few n ARG 99 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2few s LEU 100 N -3.74 3.21 -0.35 0.55 1.43 -0.72 0.26 118.68 119.32 2few s LEU 100 Ca -0.02 -1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 52.05 2few s LEU 100 Cb 0.12 -1.62 0.08 0.00 0.03 0.00 0.00 46.19 44.80 2few s LEU 100 CO 0.72 -0.14 0.09 -0.69 0.23 0.00 0.00 176.35 176.56 2few s VAL 101 N 1.26 2.95 -0.42 -1.59 1.01 -0.02 -0.80 120.40 122.79 2few s VAL 101 Ca -0.02 -1.86 -0.07 0.00 0.00 0.00 0.00 61.98 60.04 2few s VAL 101 Cb -0.17 -2.92 0.09 0.00 0.00 0.00 0.00 36.38 33.38 2few s VAL 101 CO -0.05 -0.44 0.24 -0.63 0.00 0.00 0.00 175.10 174.21 2few s ILE 102 N 1.13 3.83 -0.04 2.22 1.01 0.67 -0.85 121.20 129.18 2few s ILE 102 Ca 0.03 -1.68 -0.30 0.00 0.00 0.00 0.00 60.65 58.70 2few s ILE 102 Cb -0.21 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2few s ILE 102 CO -0.04 -0.59 1.21 -0.83 0.00 0.00 0.00 174.94 174.69 2few s GLY 103 N 2.08 2.14 0.08 6.18 0.00 -0.22 -3.37 107.32 114.21 2few s GLY 103 Ca 0.04 0.66 0.07 0.00 0.00 0.00 0.00 44.72 45.50 2few s GLY 103 CO -0.01 2.20 -0.19 -0.26 0.00 0.00 0.00 173.10 174.85 2few s ILE 104 N 2.07 1.50 -0.11 0.90 -4.36 -0.39 -0.36 121.20 120.44 2few s ILE 104 Ca 0.57 -1.41 -0.01 0.00 -0.26 0.00 0.00 60.65 59.53 2few s ILE 104 Cb -0.26 -1.37 0.03 0.00 1.25 0.00 0.00 42.46 42.11 2few s ILE 104 CO 0.23 -0.08 -0.02 0.00 0.24 0.00 0.00 174.94 175.31 2few s ALA 105 N -1.14 1.00 -0.07 2.27 0.00 -0.31 -4.30 121.76 119.21 2few s ALA 105 Ca 0.04 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.62 2few s ALA 105 Cb -0.10 -0.89 0.01 0.00 0.00 0.00 0.00 23.12 22.14 2few s ALA 105 CO 0.03 -0.59 -0.12 0.00 0.00 0.00 0.00 175.76 175.09 2few s ALA 106 N 1.85 1.27 0.59 0.00 0.00 -1.26 -0.33 121.76 123.87 2few s ALA 106 Ca 0.04 -0.42 -0.19 0.00 0.00 0.00 0.00 51.96 51.38 2few s ALA 106 Cb -0.13 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2few s ALA 106 CO -0.07 0.08 1.12 -2.13 0.00 0.00 0.00 175.76 174.76 2few n ARG 107 N 3.89 1.14 -2.40 0.00 0.63 -1.26 -2.97 116.66 115.69 2few n ARG 107 Ca -0.22 0.43 -0.20 0.00 -0.92 0.00 0.00 57.85 56.95 2few n ARG 107 Cb 0.52 -2.32 -0.01 0.00 0.45 0.00 0.00 32.46 31.10 2few n ARG 107 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2few n ASN 108 N -0.97 -5.61 -3.14 6.15 5.03 -1.26 -1.93 115.26 113.53 2few n ASN 108 Ca 0.13 0.02 -0.21 0.00 0.87 0.00 0.00 54.58 55.39 2few n ASN 108 Cb 0.46 -4.68 0.01 0.00 -1.02 0.00 0.00 39.78 34.55 2few n ASN 108 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2few n ASN 109 N -1.98 -4.39 -1.38 6.41 3.02 -1.16 -4.85 115.26 110.94 2few n ASN 109 Ca -0.23 -0.28 -0.06 0.00 -0.03 0.00 0.00 54.58 53.98 2few n ASN 109 Cb 0.68 -3.61 0.04 0.00 -0.61 0.00 0.00 39.78 36.27 2few n ASN 109 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2few n GLU 110 N -3.68 1.32 -0.30 3.52 -0.58 -0.81 -4.58 120.64 115.52 2few n GLU 110 Ca -0.06 -0.73 0.08 0.00 -0.42 0.00 0.00 57.16 56.03 2few n GLU 110 Cb 0.57 -1.29 0.30 0.00 -0.57 0.00 0.00 31.44 30.45 2few n GLU 110 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2few h HIS 111 N 0.45 0.98 0.00 -0.32 3.86 -1.86 -1.29 115.15 116.97 2few h HIS 111 Ca 0.15 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.36 2few h HIS 111 Cb 1.34 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 29.49 2few h HIS 111 CO 0.41 0.41 -0.15 0.82 0.86 0.00 0.00 177.93 180.29 2few h ILE 112 N 0.88 0.91 -0.40 2.45 1.08 -1.99 0.29 117.51 120.72 2few h ILE 112 Ca 0.45 -0.54 -0.14 0.00 -0.39 0.00 0.00 64.86 64.23 2few h ILE 112 Cb 0.50 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 2few h ILE 112 CO -0.21 0.14 -0.30 1.56 -0.69 0.00 0.00 178.15 178.66 2few h GLN 113 N 0.00 0.90 -0.28 2.37 1.08 -1.61 0.14 115.11 117.71 2few h GLN 113 Ca -0.00 -0.44 -0.10 0.00 -1.45 0.00 0.00 58.65 56.66 2few h GLN 113 Cb 0.30 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2few h GLN 113 CO 0.02 1.09 -0.22 0.28 -0.95 0.00 0.00 178.83 179.06 2few h VAL 114 N 0.72 1.30 -0.57 -0.54 2.07 -1.33 -1.81 116.25 116.09 2few h VAL 114 Ca 0.08 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.25 2few h VAL 114 Cb 0.88 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 2few h VAL 114 CO 0.08 0.43 0.37 0.40 0.02 0.00 0.00 177.57 178.87 2few h ILE 115 N 0.39 1.12 -0.68 4.57 2.04 -0.86 -1.44 117.51 122.64 2few h ILE 115 Ca 0.05 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2few h ILE 115 Cb 0.76 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2few h ILE 115 CO 0.06 0.14 0.37 0.74 0.00 0.00 0.00 178.15 179.45 2few h THR 116 N 0.74 1.21 -0.31 -0.27 2.02 -0.65 0.72 112.91 116.38 2few h THR 116 Ca 0.22 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 2few h THR 116 Cb -0.05 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2few h THR 116 CO -0.06 0.23 0.10 -1.28 0.37 0.00 0.00 175.52 174.88 2few h SER 117 N 0.93 0.44 -0.05 4.18 0.87 -0.97 -1.30 113.55 117.64 2few h SER 117 Ca 0.24 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2few h SER 117 Cb 0.04 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2few h SER 117 CO -0.04 0.53 0.03 -0.07 -0.53 0.00 0.00 176.83 176.74 2few h LEU 118 N 0.34 0.07 -1.49 2.23 3.38 -0.88 -2.98 115.31 115.97 2few h LEU 118 Ca 0.10 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2few h LEU 118 Cb 0.24 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2few h LEU 118 CO -0.00 0.16 -0.24 0.71 0.09 0.00 0.00 178.44 179.16 2few h THR 119 N -0.03 0.86 -0.64 0.22 1.35 -0.83 -1.66 112.91 112.17 2few h THR 119 Ca 0.02 -0.95 -0.07 0.00 -0.55 0.00 0.00 66.41 64.86 2few h THR 119 Cb 0.11 1.56 -0.03 0.00 -1.73 0.00 0.00 68.15 68.07 2few h THR 119 CO -0.00 0.24 0.14 0.78 -0.25 0.00 0.00 175.52 176.43 2few h ASN 120 N 0.00 0.96 1.56 5.36 2.35 -1.13 -2.06 115.58 122.63 2few h ASN 120 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2few h ASN 120 Cb 0.54 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2few h ASN 120 CO 0.03 0.94 0.00 0.00 -1.65 0.00 0.00 177.43 176.75 2few h ALA 121 N 1.18 1.00 -0.63 -0.83 0.00 -1.19 -3.22 119.26 115.58 2few h ALA 121 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.86 2few h ALA 121 Cb 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.00 2few h ALA 121 CO 0.00 0.00 0.23 1.28 0.00 0.00 0.00 179.25 180.77 2few n LEU 122 N -2.43 5.41 0.09 0.00 4.77 -0.75 -4.64 117.00 119.45 2few n LEU 122 Ca 0.05 -3.45 0.11 0.00 -0.03 0.00 0.00 56.01 52.69 2few n LEU 122 Cb 0.45 -0.71 0.45 0.00 -2.33 0.00 0.00 43.42 41.27 2few n LEU 122 CO 0.31 0.98 0.84 -0.90 -1.33 0.00 0.00 177.39 177.29 2few n ASP 123 N -0.74 0.52 -4.45 -1.43 5.75 -0.96 -4.69 116.55 110.55 2few n ASP 123 Ca 0.41 0.61 -0.33 0.00 -0.01 0.00 0.00 54.79 55.46 2few n ASP 123 Cb 1.30 -0.72 -0.13 0.00 -1.03 0.00 0.00 41.12 40.53 2few n ASP 123 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2few s ASP 124 N -3.96 4.46 0.39 -1.12 1.01 -1.26 -5.02 116.67 111.17 2few s ASP 124 Ca 0.06 -0.20 0.11 0.00 0.71 0.00 0.00 52.55 53.24 2few s ASP 124 Cb 0.10 -1.65 0.91 0.00 1.01 0.00 0.00 42.92 43.30 2few s ASP 124 CO 0.41 0.19 1.92 1.05 0.21 0.00 0.00 175.17 178.94 2few h GLU 125 N 6.55 0.56 -0.25 8.23 4.11 -2.00 -1.31 114.58 130.47 2few h GLU 125 Ca -0.31 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 59.01 2few h GLU 125 Cb 1.20 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2few h GLU 125 CO 0.59 0.37 -0.20 0.66 0.07 0.00 0.00 179.01 180.49 2few h SER 126 N 0.57 0.44 -0.38 3.06 4.64 -1.97 -2.52 113.55 117.40 2few h SER 126 Ca 0.37 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.50 2few h SER 126 Cb 0.65 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 2few h SER 126 CO -0.14 0.66 0.00 0.58 -0.87 0.00 0.00 176.83 177.06 2few h VAL 127 N 0.40 1.26 -0.30 0.95 2.07 -1.62 -2.15 116.25 116.86 2few h VAL 127 Ca 0.07 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 2few h VAL 127 Cb 0.58 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2few h VAL 127 CO 0.04 0.33 0.14 0.40 0.02 0.00 0.00 177.57 178.50 2few h ILE 128 N 0.48 1.16 -0.40 4.57 2.04 -1.48 -0.86 117.51 123.01 2few h ILE 128 Ca 0.11 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.57 2few h ILE 128 Cb 0.46 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 2few h ILE 128 CO 0.02 0.16 0.11 -0.33 0.00 0.00 0.00 178.15 178.11 2few h GLU 129 N 0.34 0.24 -0.46 2.37 4.39 -1.43 0.52 114.58 120.56 2few h GLU 129 Ca 0.10 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2few h GLU 129 Cb 0.13 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2few h GLU 129 CO -0.01 0.16 0.25 0.00 -1.16 0.00 0.00 179.01 178.25 2few h ARG 130 N 0.25 0.64 -0.48 2.33 2.47 -1.15 -2.88 114.38 115.56 2few h ARG 130 Ca 0.19 -0.08 -0.07 0.00 -1.26 0.00 0.00 59.98 58.77 2few h ARG 130 Cb 0.21 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 2few h ARG 130 CO -0.23 0.51 0.02 -0.07 0.56 0.00 0.00 179.97 180.77 2few h LEU 131 N 0.60 0.74 -1.63 3.04 3.38 -0.66 -1.67 115.31 119.11 2few h LEU 131 Ca 0.16 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2few h LEU 131 Cb 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2few h LEU 131 CO -0.02 0.80 -0.19 0.00 0.09 0.00 0.00 178.44 179.11 2few h ALA 132 N 1.29 1.65 0.00 1.53 0.00 -0.69 -3.32 119.26 119.72 2few h ALA 132 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2few h ALA 132 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2few h ALA 132 CO 0.02 0.24 0.00 0.72 0.00 0.00 0.00 179.25 180.23 2few n HIS 133 N -4.26 0.00 -2.11 0.00 8.25 -1.17 -4.02 115.22 111.90 2few n HIS 133 Ca -0.02 -0.02 -0.38 0.00 -0.26 0.00 0.00 57.72 57.04 2few n HIS 133 Cb 0.26 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 2few n HIS 133 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2few s THR 134 N -0.04 2.78 -1.42 1.59 -1.32 -0.64 -4.93 115.64 111.66 2few s THR 134 Ca 0.00 0.61 0.16 0.00 -1.21 0.00 0.00 61.69 61.25 2few s THR 134 Cb 0.00 -3.32 0.43 0.00 -1.51 0.00 0.00 72.50 68.10 2few s THR 134 CO 0.00 0.02 1.36 0.35 -2.21 0.00 0.00 174.62 174.14 2few n THR 135 N -0.43 0.93 -3.68 5.08 -2.24 -1.26 -4.81 114.28 107.87 2few n THR 135 Ca 0.07 -0.97 -0.38 0.00 -2.27 0.00 0.00 64.05 60.50 2few n THR 135 Cb 0.46 0.56 -0.12 0.00 -2.10 0.00 0.00 70.33 69.13 2few n THR 135 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2few s SER 136 N -1.02 5.44 0.15 3.42 0.15 -1.26 -4.97 113.70 115.61 2few s SER 136 Ca 0.33 -0.51 -0.13 0.00 0.70 0.00 0.00 55.95 56.35 2few s SER 136 Cb 0.18 -1.98 0.03 0.00 -1.71 0.00 0.00 66.02 62.54 2few s SER 136 CO 0.23 -0.17 1.66 0.58 1.20 0.00 0.00 173.24 176.74 2few h VAL 137 N 5.67 1.24 -1.00 4.45 2.07 -2.00 -2.57 116.25 124.12 2few h VAL 137 Ca -0.33 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 66.42 2few h VAL 137 Cb 1.15 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 2few h VAL 137 CO 0.61 0.31 0.64 0.44 0.02 0.00 0.00 177.57 179.58 2few h ASP 138 N 0.71 1.01 -0.59 0.57 3.32 -1.99 -0.72 116.42 118.72 2few h ASP 138 Ca 0.16 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 2few h ASP 138 Cb 0.33 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2few h ASP 138 CO 0.00 0.62 0.24 -0.08 -1.72 0.00 0.00 179.24 178.30 2few h GLU 139 N 1.13 0.88 0.01 3.56 4.81 -1.89 0.09 114.58 123.16 2few h GLU 139 Ca 0.44 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.54 2few h GLU 139 Cb 0.24 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2few h GLU 139 CO -0.19 0.75 -0.14 0.28 -0.73 0.00 0.00 179.01 178.98 2few h VAL 140 N 0.81 0.66 -0.49 0.32 2.07 -0.92 -0.83 116.25 117.87 2few h VAL 140 Ca 0.20 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.77 2few h VAL 140 Cb 0.20 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 2few h VAL 140 CO -0.02 0.00 0.21 -0.07 0.02 0.00 0.00 177.57 177.72 2few h LEU 141 N -0.24 0.27 -0.20 2.57 3.38 -0.83 -2.02 115.31 118.25 2few h LEU 141 Ca 0.05 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2few h LEU 141 Cb 0.29 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2few h LEU 141 CO -0.13 0.19 -0.01 -0.33 0.09 0.00 0.00 178.44 178.25 2few h GLU 142 N 0.42 0.05 0.00 1.13 5.08 -0.63 -0.27 114.58 120.36 2few h GLU 142 Ca 0.22 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2few h GLU 142 Cb 0.18 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2few h GLU 142 CO -0.19 0.03 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.66 2few h LEU 143 N 0.05 0.00 -2.61 1.33 3.38 -0.77 -2.93 115.31 113.77 2few h LEU 143 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2few h LEU 143 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2few h LEU 143 CO -0.17 0.12 0.00 0.18 0.09 0.00 0.00 178.44 178.66 2few n LEU 144 N -3.41 2.89 0.17 1.67 4.77 -0.79 -4.62 117.00 117.66 2few n LEU 144 Ca -0.01 -1.81 0.04 0.00 -0.03 0.00 0.00 56.01 54.20 2few n LEU 144 Cb 0.29 -0.22 0.21 0.00 -2.33 0.00 0.00 43.42 41.37 2few n LEU 144 CO 0.30 0.70 0.58 0.00 -1.33 0.00 0.00 177.39 177.63 2few h ALA 145 N 2.39 0.84 -0.00 -1.18 0.00 -0.85 -3.07 119.26 117.39 2few h ALA 145 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2few h ALA 145 Cb 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2few h ALA 145 CO 0.00 0.56 -0.07 0.41 0.00 0.00 0.00 179.25 180.15 2few n GLY 146 N 0.65 -1.42 0.00 0.00 0.00 -1.26 -5.11 105.19 98.04 2few n GLY 146 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2few n GLY 146 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36