#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsq n ILE 2 N 0.00 0.00 -2.57 1.96 3.06 -1.26 -5.01 119.36 115.54 1bsq n ILE 2 Ca 0.00 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.82 1bsq n ILE 2 Cb 0.00 -0.16 -0.02 0.00 0.54 0.00 0.00 39.64 40.00 1bsq n ILE 2 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1bsq s VAL 3 N -1.25 4.53 -2.27 9.51 1.01 -1.26 -4.91 120.40 125.76 1bsq s VAL 3 Ca 0.00 1.85 0.23 0.00 0.00 0.00 0.00 61.98 64.06 1bsq s VAL 3 Cb 0.00 -4.19 0.52 0.00 0.00 0.00 0.00 36.38 32.71 1bsq s VAL 3 CO 0.00 -0.16 1.66 0.35 0.00 0.00 0.00 175.10 176.95 1bsq n THR 4 N 5.34 0.11 -4.84 3.92 -2.24 -1.26 -4.86 114.28 110.45 1bsq n THR 4 Ca 0.13 -0.25 -0.27 0.00 -2.27 0.00 0.00 64.05 61.39 1bsq n THR 4 Cb 0.46 0.24 -0.16 0.00 -2.10 0.00 0.00 70.33 68.76 1bsq n THR 4 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1bsq s GLN 5 N -1.89 2.03 0.04 -0.78 -0.21 -1.26 -5.13 119.66 112.47 1bsq s GLN 5 Ca 0.34 -0.60 -0.00 0.00 0.02 0.00 0.00 55.36 55.12 1bsq s GLN 5 Cb 0.18 -1.67 -0.03 0.00 1.00 0.00 0.00 33.01 32.49 1bsq s GLN 5 CO 0.28 0.16 -0.04 0.95 -2.12 0.00 0.00 175.29 174.52 1bsq s THR 6 N 0.31 0.25 -0.04 -0.19 -4.23 -1.26 -4.56 115.64 105.92 1bsq s THR 6 Ca -0.11 -1.39 -0.29 0.00 -1.18 0.00 0.00 61.69 58.72 1bsq s THR 6 Cb -0.14 -0.94 -0.02 0.00 1.34 0.00 0.00 72.50 72.73 1bsq s THR 6 CO 0.04 -0.73 0.96 -0.32 -0.54 0.00 0.00 174.62 174.03 1bsq s MET 7 N -2.69 4.50 -0.09 3.99 1.75 -0.50 -4.90 119.30 121.36 1bsq s MET 7 Ca -0.03 1.35 -0.22 0.00 -1.25 0.00 0.00 55.69 55.53 1bsq s MET 7 Cb -0.01 -3.49 -0.04 0.00 2.84 0.00 0.00 34.83 34.13 1bsq s MET 7 CO -0.05 -0.13 0.65 0.15 -0.65 0.00 0.00 175.02 174.99 1bsq s LYS 8 N 1.34 4.40 -0.57 4.11 1.02 -1.26 -4.28 119.74 124.50 1bsq s LYS 8 Ca 0.49 0.78 -0.03 0.00 0.02 0.00 0.00 55.97 57.22 1bsq s LYS 8 Cb -0.20 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 1bsq s LYS 8 CO 0.23 0.06 0.50 0.41 -0.92 0.00 0.00 175.35 175.64 1bsq n GLY 9 N 3.18 0.29 3.76 -3.33 0.00 -1.26 -5.01 105.19 102.82 1bsq n GLY 9 Ca -0.02 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 1bsq n GLY 9 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bsq s LEU 10 N -3.71 4.52 -0.45 0.99 2.96 -1.26 -5.02 118.68 116.71 1bsq s LEU 10 Ca 0.22 2.20 0.03 0.00 -0.22 0.00 0.00 54.13 56.36 1bsq s LEU 10 Cb -0.10 -3.69 0.13 0.00 0.50 0.00 0.00 46.19 43.04 1bsq s LEU 10 CO 0.31 -0.14 0.22 -0.62 -1.32 0.00 0.00 176.35 174.80 1bsq s ASP 11 N -0.99 4.02 0.62 3.68 -1.08 -1.26 -4.97 116.67 116.68 1bsq s ASP 11 Ca 0.45 -2.67 0.37 0.00 -0.52 0.00 0.00 52.55 50.19 1bsq s ASP 11 Cb -0.30 -1.30 2.04 0.00 -1.46 0.00 0.00 42.92 41.90 1bsq s ASP 11 CO 0.38 -0.27 2.15 0.16 0.52 0.00 0.00 175.17 178.11 1bsq h ILE 12 N 5.54 0.00 -0.07 4.11 3.07 -1.95 0.68 117.51 128.89 1bsq h ILE 12 Ca -0.05 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.34 1bsq h ILE 12 Cb 0.93 0.83 -0.01 0.00 -0.27 0.00 0.00 36.82 38.30 1bsq h ILE 12 CO 0.56 0.00 -0.04 1.56 -1.05 0.00 0.00 178.15 179.19 1bsq h GLN 13 N 0.00 0.09 0.00 0.16 1.08 -1.96 -1.35 115.11 113.13 1bsq h GLN 13 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1bsq h GLN 13 Cb 0.19 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1bsq h GLN 13 CO 0.00 0.14 -0.20 0.87 -0.95 0.00 0.00 178.83 178.70 1bsq h LYS 14 N 0.09 0.00 -0.53 1.46 1.57 -1.29 -3.25 116.57 114.63 1bsq h LYS 14 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1bsq h LYS 14 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1bsq h LYS 14 CO 0.01 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.22 1bsq n VAL 15 N -2.26 0.85 -1.96 0.50 0.24 -0.51 -4.84 118.33 110.35 1bsq n VAL 15 Ca 0.05 -0.70 -0.34 0.00 -2.04 0.00 0.00 64.34 61.31 1bsq n VAL 15 Cb 0.44 0.22 0.03 0.00 -1.47 0.00 0.00 33.84 33.05 1bsq n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bsq s ALA 16 N -1.48 2.56 0.00 2.33 0.00 -1.22 -4.68 121.76 119.26 1bsq s ALA 16 Ca 0.33 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1bsq s ALA 16 Cb 0.19 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1bsq s ALA 16 CO 0.20 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1bsq n GLY 17 N -0.23 0.14 3.76 0.00 0.00 -0.62 -4.93 105.19 103.32 1bsq n GLY 17 Ca 0.11 -2.29 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 1bsq n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bsq s THR 18 N 0.00 4.64 0.10 2.61 -4.23 -1.26 -0.84 115.64 116.66 1bsq s THR 18 Ca 0.00 1.59 0.01 0.00 -1.18 0.00 0.00 61.69 62.11 1bsq s THR 18 Cb 0.00 -4.09 -0.04 0.00 1.34 0.00 0.00 72.50 69.71 1bsq s THR 18 CO 0.00 0.43 -0.05 0.26 -0.54 0.00 0.00 174.62 174.72 1bsq s TRP 19 N -0.45 0.88 -0.10 3.99 0.52 -0.44 -4.71 118.94 118.63 1bsq s TRP 19 Ca 0.36 -0.95 0.03 0.00 0.02 0.00 0.00 56.10 55.56 1bsq s TRP 19 Cb -0.21 -0.52 0.01 0.00 -1.15 0.00 0.00 33.47 31.60 1bsq s TRP 19 CO 0.23 -0.19 -0.18 0.71 0.02 0.00 0.00 176.95 177.54 1bsq s TYR 20 N -3.68 2.07 -0.88 -1.98 1.51 -0.32 -4.23 117.35 109.85 1bsq s TYR 20 Ca 0.13 -0.89 -0.25 0.00 -1.01 0.00 0.00 57.07 55.05 1bsq s TYR 20 Cb 0.06 -1.45 0.03 0.00 -0.11 0.00 0.00 41.96 40.49 1bsq s TYR 20 CO -0.04 -0.42 1.49 -1.12 -1.11 0.00 0.00 175.55 174.35 1bsq s SER 21 N 0.69 6.12 0.10 2.29 0.01 -1.26 -1.05 113.70 120.60 1bsq s SER 21 Ca -0.12 -0.87 -0.04 0.00 1.31 0.00 0.00 55.95 56.23 1bsq s SER 21 Cb -0.16 -2.56 -0.21 0.00 0.21 0.00 0.00 66.02 63.30 1bsq s SER 21 CO 0.03 -1.84 1.20 0.25 0.41 0.00 0.00 173.24 173.29 1bsq h LEU 22 N 13.79 0.44 -7.85 2.44 5.85 -1.16 -3.44 115.31 125.36 1bsq h LEU 22 Ca -0.01 -0.42 -0.14 0.00 0.84 0.00 0.00 57.88 58.15 1bsq h LEU 22 Cb 1.04 -0.14 -0.19 0.00 0.37 0.00 0.00 40.66 41.74 1bsq h LEU 22 CO 1.34 1.29 -0.53 0.00 -0.34 0.00 0.00 178.44 180.20 1bsq s ALA 23 N -2.86 -0.14 0.02 1.25 0.00 -1.07 -1.15 121.76 117.81 1bsq s ALA 23 Ca -0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 1bsq s ALA 23 Cb 0.08 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1bsq s ALA 23 CO 0.87 -0.27 0.04 -1.64 0.00 0.00 0.00 175.76 174.76 1bsq s MET 24 N -2.09 0.40 -0.04 0.00 -1.94 0.06 -1.29 119.30 114.41 1bsq s MET 24 Ca -0.09 -0.57 -0.23 0.00 -1.71 0.00 0.00 55.69 53.08 1bsq s MET 24 Cb -0.04 0.15 0.05 0.00 2.01 0.00 0.00 34.83 37.00 1bsq s MET 24 CO -0.02 -0.08 0.51 0.00 -0.01 0.00 0.00 175.02 175.42 1bsq s ALA 25 N -1.61 -1.31 -0.01 3.03 0.00 -0.82 -0.66 121.76 120.37 1bsq s ALA 25 Ca -0.14 0.87 -0.17 0.00 0.00 0.00 0.00 51.96 52.52 1bsq s ALA 25 Cb -0.08 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.08 1bsq s ALA 25 CO -0.01 -0.32 0.37 0.00 0.00 0.00 0.00 175.76 175.81 1bsq s ALA 26 N -1.21 -0.94 -1.77 0.00 0.00 -0.98 -1.29 121.76 115.57 1bsq s ALA 26 Ca -0.12 0.43 0.20 0.00 0.00 0.00 0.00 51.96 52.47 1bsq s ALA 26 Cb -0.02 0.12 1.10 0.00 0.00 0.00 0.00 23.12 24.31 1bsq s ALA 26 CO 0.07 -0.31 1.58 -1.13 0.00 0.00 0.00 175.76 175.97 1bsq n SER 27 N 1.07 0.00 -3.82 0.00 3.41 -0.91 -0.56 113.62 112.81 1bsq n SER 27 Ca -0.21 -0.37 -0.13 0.00 -0.26 0.00 0.00 58.87 57.90 1bsq n SER 27 Cb 0.57 -0.11 -0.15 0.00 -0.26 0.00 0.00 64.21 64.26 1bsq n SER 27 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bsq s ASP 28 N -2.23 -0.01 0.17 4.04 -1.08 -1.26 -4.25 116.67 112.06 1bsq s ASP 28 Ca 0.25 0.08 -0.15 0.00 -0.52 0.00 0.00 52.55 52.21 1bsq s ASP 28 Cb 0.13 0.03 0.11 0.00 -1.46 0.00 0.00 42.92 41.74 1bsq s ASP 28 CO 0.25 -0.06 1.73 0.40 0.52 0.00 0.00 175.17 178.01 1bsq h ILE 29 N 5.60 0.81 0.00 4.11 1.08 -1.86 -2.42 117.51 124.83 1bsq h ILE 29 Ca -0.33 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 1bsq h ILE 29 Cb 1.17 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 1bsq h ILE 29 CO 0.48 0.04 0.00 -1.54 -0.69 0.00 0.00 178.15 176.44 1bsq n SER 30 N -5.07 0.35 0.09 1.72 3.41 -1.26 -0.87 113.62 111.99 1bsq n SER 30 Ca 0.03 0.63 -0.14 0.00 -0.26 0.00 0.00 58.87 59.13 1bsq n SER 30 Cb 0.18 -0.68 -0.12 0.00 -0.26 0.00 0.00 64.21 63.33 1bsq n SER 30 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1bsq h LEU 31 N 0.00 0.34 -0.86 1.04 3.38 -1.84 -3.37 115.31 114.01 1bsq h LEU 31 Ca 0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1bsq h LEU 31 Cb 0.14 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1bsq h LEU 31 CO 0.00 1.26 -0.13 0.18 0.09 0.00 0.00 178.44 179.84 1bsq n LEU 32 N -3.53 1.24 0.00 1.67 4.77 -0.94 -2.20 117.00 118.01 1bsq n LEU 32 Ca -0.06 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 1bsq n LEU 32 Cb 0.98 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 1bsq n LEU 32 CO 0.52 0.25 0.00 0.47 -1.33 0.00 0.00 177.39 177.30 1bsq n ASP 33 N -0.11 0.00 -4.57 -1.43 10.43 -0.05 -4.79 116.55 116.03 1bsq n ASP 33 Ca 0.04 0.00 -0.21 0.00 2.57 0.00 0.00 54.79 57.19 1bsq n ASP 33 Cb 0.18 0.00 0.09 0.00 1.84 0.00 0.00 41.12 43.24 1bsq n ASP 33 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1bsq n ALA 34 N -1.52 0.58 0.30 2.24 0.00 -1.26 -4.95 120.51 115.89 1bsq n ALA 34 Ca 0.00 -1.92 0.19 0.00 0.00 0.00 0.00 53.44 51.71 1bsq n ALA 34 Cb 0.00 0.40 0.95 0.00 0.00 0.00 0.00 19.45 20.80 1bsq n ALA 34 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1bsq h GLN 35 N 0.00 0.00 -0.50 0.00 5.75 -1.96 -1.46 115.11 116.95 1bsq h GLN 35 Ca -0.29 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.15 1bsq h GLN 35 Cb 1.17 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.69 1bsq h GLN 35 CO 0.35 0.00 0.06 -1.13 -2.65 0.00 0.00 178.83 175.46 1bsq n SER 36 N -2.87 4.78 -4.77 -0.69 3.41 -1.26 -3.77 113.62 108.44 1bsq n SER 36 Ca -0.02 -3.07 -0.38 0.00 -0.26 0.00 0.00 58.87 55.14 1bsq n SER 36 Cb 0.12 -0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 63.37 1bsq n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bsq s ALA 37 N -2.87 3.22 0.24 7.33 0.00 -0.55 -4.98 121.76 124.15 1bsq s ALA 37 Ca 0.50 0.66 -0.08 0.00 0.00 0.00 0.00 51.96 53.04 1bsq s ALA 37 Cb 0.40 -3.24 0.40 0.00 0.00 0.00 0.00 23.12 20.68 1bsq s ALA 37 CO 0.12 0.00 1.63 -1.00 0.00 0.00 0.00 175.76 176.51 1bsq h PRO 38 N 3.20 0.07 -0.63 0.00 0.13 -1.77 -1.56 132.00 131.44 1bsq h PRO 38 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1bsq h PRO 38 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1bsq h PRO 38 CO 0.65 0.05 0.00 1.28 -0.23 0.00 0.00 178.00 179.74 1bsq n LEU 39 N -5.39 5.27 -4.49 1.56 4.77 -0.94 -4.74 117.00 113.05 1bsq n LEU 39 Ca 0.13 -2.67 -0.44 0.00 -0.03 0.00 0.00 56.01 53.00 1bsq n LEU 39 Cb 0.45 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 1bsq n LEU 39 CO 0.03 0.74 1.40 -0.60 -1.33 0.00 0.00 177.39 177.63 1bsq s ARG 40 N -2.27 3.91 0.08 3.23 6.06 -0.59 -4.89 118.95 124.48 1bsq s ARG 40 Ca 0.54 -2.15 0.07 0.00 -2.50 0.00 0.00 55.73 51.68 1bsq s ARG 40 Cb 0.37 -5.13 -0.03 0.00 0.06 0.00 0.00 34.95 30.22 1bsq s ARG 40 CO 0.21 -1.89 -0.18 0.14 -2.50 0.00 0.00 175.30 171.08 1bsq s VAL 41 N 2.60 1.48 -0.23 7.11 -7.23 -1.26 -4.59 120.40 118.27 1bsq s VAL 41 Ca 0.42 -1.36 -0.02 0.00 -1.81 0.00 0.00 61.98 59.22 1bsq s VAL 41 Cb -0.02 -1.35 0.01 0.00 0.56 0.00 0.00 36.38 35.59 1bsq s VAL 41 CO -0.02 -0.05 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.34 1bsq s TYR 42 N -1.09 2.99 0.01 2.82 1.51 0.09 -4.91 117.35 118.76 1bsq s TYR 42 Ca 0.04 -1.31 -0.30 0.00 -1.01 0.00 0.00 57.07 54.48 1bsq s TYR 42 Cb -0.10 -2.06 -0.05 0.00 -0.11 0.00 0.00 41.96 39.64 1bsq s TYR 42 CO 0.03 -0.67 1.25 0.08 -1.11 0.00 0.00 175.55 175.13 1bsq s VAL 43 N 1.38 4.01 -0.24 0.71 1.01 -1.26 0.25 120.40 126.26 1bsq s VAL 43 Ca 0.03 1.40 -0.15 0.00 0.00 0.00 0.00 61.98 63.26 1bsq s VAL 43 Cb -0.15 -3.90 -0.11 0.00 0.00 0.00 0.00 36.38 32.22 1bsq s VAL 43 CO -0.05 0.05 -0.32 -0.62 0.00 0.00 0.00 175.10 174.16 1bsq n GLU 44 N 4.70 0.57 -3.62 2.72 -0.58 0.12 -4.24 120.64 120.31 1bsq n GLU 44 Ca 0.11 0.27 -0.16 0.00 -0.42 0.00 0.00 57.16 56.96 1bsq n GLU 44 Cb 0.46 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.76 1bsq n GLU 44 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1bsq s GLU 45 N -2.60 0.89 -0.18 3.49 2.12 -1.14 -1.33 118.70 119.95 1bsq s GLU 45 Ca -0.35 0.13 -0.03 0.00 0.36 0.00 0.00 54.97 55.08 1bsq s GLU 45 Cb 0.11 0.41 -0.02 0.00 0.26 0.00 0.00 34.13 34.90 1bsq s GLU 45 CO 0.47 -0.26 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.37 1bsq s LEU 46 N -1.15 2.99 -0.34 2.70 1.43 -0.02 -1.69 118.68 122.60 1bsq s LEU 46 Ca -0.11 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1bsq s LEU 46 Cb -0.02 -1.73 0.10 0.00 0.03 0.00 0.00 46.19 44.57 1bsq s LEU 46 CO 0.07 0.08 0.09 -0.54 0.23 0.00 0.00 176.35 176.29 1bsq s LYS 47 N 0.89 1.16 0.02 1.70 1.02 0.70 -1.58 119.74 123.65 1bsq s LYS 47 Ca -0.01 -1.58 -0.30 0.00 0.02 0.00 0.00 55.97 54.10 1bsq s LYS 47 Cb -0.15 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.49 1bsq s LYS 47 CO 0.01 -0.98 1.11 -1.25 -0.92 0.00 0.00 175.35 173.31 1bsq s PRO 48 N 1.11 4.47 0.56 -1.68 0.04 -1.26 0.28 135.00 138.52 1bsq s PRO 48 Ca 0.11 1.61 -0.10 0.00 0.04 0.00 0.00 61.00 62.67 1bsq s PRO 48 Cb -0.19 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 1bsq s PRO 48 CO -0.14 -0.19 0.94 0.95 0.04 0.00 0.00 177.00 178.59 1bsq s THR 49 N 1.17 4.76 0.55 1.26 -4.23 -0.74 -4.94 115.64 113.47 1bsq s THR 49 Ca 0.56 0.70 0.24 0.00 -1.18 0.00 0.00 61.69 62.00 1bsq s THR 49 Cb -0.25 -3.85 0.35 0.00 1.34 0.00 0.00 72.50 70.09 1bsq s THR 49 CO 0.28 -0.98 2.08 1.55 -0.54 0.00 0.00 174.62 177.01 1bsq h PRO 50 N 0.06 0.00 0.00 3.99 0.13 -1.96 -0.90 132.00 133.31 1bsq h PRO 50 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1bsq h PRO 50 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1bsq h PRO 50 CO 0.62 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.78 1bsq n GLU 51 N -4.20 0.05 0.00 0.86 4.71 -1.26 -4.86 120.64 115.94 1bsq n GLU 51 Ca 0.03 0.31 0.00 0.00 -0.01 0.00 0.00 57.16 57.49 1bsq n GLU 51 Cb 0.35 -1.60 0.00 0.00 -1.01 0.00 0.00 31.44 29.18 1bsq n GLU 51 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bsq n GLY 52 N -0.09 0.57 3.67 0.62 0.00 -0.34 -4.99 105.19 104.63 1bsq n GLY 52 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1bsq n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bsq n ASP 53 N 0.00 0.49 -3.76 1.61 8.00 -1.25 -4.34 116.55 117.29 1bsq n ASP 53 Ca 0.00 -1.66 -0.20 0.00 0.71 0.00 0.00 54.79 53.64 1bsq n ASP 53 Cb 0.00 -0.85 -0.17 0.00 -0.02 0.00 0.00 41.12 40.08 1bsq n ASP 53 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1bsq s LEU 54 N 0.00 0.69 -0.23 0.64 2.96 0.47 -1.79 118.68 121.42 1bsq s LEU 54 Ca 0.69 -0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 54.39 1bsq s LEU 54 Cb -0.02 -0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.35 1bsq s LEU 54 CO 0.47 -0.17 0.52 -1.61 -1.32 0.00 0.00 176.35 174.24 1bsq s GLU 55 N 1.67 4.14 -0.19 1.98 2.02 0.14 -0.40 118.70 128.07 1bsq s GLU 55 Ca -0.00 0.38 -0.04 0.00 0.02 0.00 0.00 54.97 55.33 1bsq s GLU 55 Cb -0.13 -3.60 -0.02 0.00 0.10 0.00 0.00 34.13 30.49 1bsq s GLU 55 CO -0.03 -0.23 -0.04 0.42 0.02 0.00 0.00 175.26 175.40 1bsq s ILE 56 N 1.91 3.64 -0.30 -1.63 1.01 0.20 -0.21 121.20 125.81 1bsq s ILE 56 Ca 0.23 -0.42 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 1bsq s ILE 56 Cb -0.15 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.69 1bsq s ILE 56 CO 0.09 0.45 0.11 -0.76 0.00 0.00 0.00 174.94 174.83 1bsq s LEU 57 N 0.99 3.95 0.27 2.97 1.43 -0.68 -1.03 118.68 126.58 1bsq s LEU 57 Ca 0.01 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.53 1bsq s LEU 57 Cb -0.15 -1.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.09 1bsq s LEU 57 CO 0.01 -0.19 -0.03 -1.48 0.23 0.00 0.00 176.35 174.89 1bsq s LEU 58 N 1.55 2.36 0.12 1.79 -0.00 -0.74 0.15 118.68 123.91 1bsq s LEU 58 Ca 0.03 -1.23 0.10 0.00 -0.00 0.00 0.00 54.13 53.04 1bsq s LEU 58 Cb -0.17 -0.50 -0.04 0.00 -0.00 0.00 0.00 46.19 45.48 1bsq s LEU 58 CO 0.04 -0.43 -0.22 -1.10 -0.00 0.00 0.00 176.35 174.64 1bsq s GLN 59 N -3.79 1.62 0.02 1.48 -0.21 0.14 0.52 119.66 119.44 1bsq s GLN 59 Ca 0.30 -1.25 -0.26 0.00 0.02 0.00 0.00 55.36 54.16 1bsq s GLN 59 Cb 0.05 -2.02 0.06 0.00 1.00 0.00 0.00 33.01 32.10 1bsq s GLN 59 CO 0.11 0.47 0.61 0.21 -2.12 0.00 0.00 175.29 174.57 1bsq s LYS 60 N -2.11 1.09 -0.68 2.91 2.20 -1.01 -0.73 119.74 121.40 1bsq s LYS 60 Ca 0.16 -0.04 -0.19 0.00 -0.36 0.00 0.00 55.97 55.54 1bsq s LYS 60 Cb -0.10 0.51 0.11 0.00 -1.51 0.00 0.00 37.83 36.83 1bsq s LYS 60 CO 0.08 -0.39 0.84 -0.46 -0.36 0.00 0.00 175.35 175.07 1bsq s TRP 61 N -2.08 2.99 -0.07 4.03 -0.11 -1.25 -0.94 118.94 121.51 1bsq s TRP 61 Ca -0.07 -1.01 -0.17 0.00 1.22 0.00 0.00 56.10 56.07 1bsq s TRP 61 Cb -0.01 -4.11 -0.30 0.00 -1.50 0.00 0.00 33.47 27.55 1bsq s TRP 61 CO 0.02 -1.39 0.71 1.49 -4.62 0.00 0.00 176.95 173.15 1bsq h GLU 62 N 9.12 0.30 0.00 5.86 4.57 -1.89 -3.40 114.58 129.14 1bsq h GLU 62 Ca -0.19 -0.51 0.00 0.00 -1.18 0.00 0.00 59.36 57.48 1bsq h GLU 62 Cb 1.07 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1bsq h GLU 62 CO 1.10 1.25 0.00 -1.71 -1.18 0.00 0.00 179.01 178.46 1bsq n ASN 63 N -3.94 0.00 -0.02 1.04 5.15 -1.26 -5.01 115.26 111.21 1bsq n ASN 63 Ca -0.21 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 53.83 1bsq n ASN 63 Cb 0.91 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 40.00 1bsq n ASN 63 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bsq n GLY 64 N 0.32 -1.04 3.77 8.20 0.00 -1.26 -5.03 105.19 110.16 1bsq n GLY 64 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 1bsq n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bsq s GLU 65 N -3.23 1.82 -0.41 1.61 2.56 -1.26 -5.12 118.70 114.68 1bsq s GLU 65 Ca -0.08 -1.17 -0.29 0.00 0.00 0.00 0.00 54.97 53.43 1bsq s GLU 65 Cb 0.11 0.57 -0.09 0.00 2.00 0.00 0.00 34.13 36.73 1bsq s GLU 65 CO 0.88 -0.82 2.33 0.00 -0.56 0.00 0.00 175.26 177.08 1bsq s ALA 67 N 9.55 3.54 -0.28 0.00 0.00 -0.11 -4.89 121.76 129.56 1bsq s ALA 67 Ca 1.05 -1.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.67 1bsq s ALA 67 Cb -0.48 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1bsq s ALA 67 CO 0.36 -0.61 1.23 -0.65 0.00 0.00 0.00 175.76 176.09 1bsq s GLN 68 N 1.83 4.02 0.34 0.00 -0.21 -1.26 -2.42 119.66 121.97 1bsq s GLN 68 Ca 0.09 1.28 0.07 0.00 0.02 0.00 0.00 55.36 56.82 1bsq s GLN 68 Cb -0.16 -3.81 -0.02 0.00 1.00 0.00 0.00 33.01 30.02 1bsq s GLN 68 CO 0.11 -0.97 0.38 0.15 -2.12 0.00 0.00 175.29 172.83 1bsq s LYS 69 N 3.88 2.90 -0.05 2.91 1.02 0.19 -4.96 119.74 125.62 1bsq s LYS 69 Ca 0.53 -1.17 0.02 0.00 0.02 0.00 0.00 55.97 55.36 1bsq s LYS 69 Cb -0.16 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.53 1bsq s LYS 69 CO 0.19 0.07 -0.07 0.21 -0.92 0.00 0.00 175.35 174.83 1bsq s LYS 70 N -4.08 1.13 0.03 1.68 2.20 -1.26 -1.78 119.74 117.65 1bsq s LYS 70 Ca 0.43 -0.22 0.06 0.00 -0.36 0.00 0.00 55.97 55.88 1bsq s LYS 70 Cb -0.07 -1.02 -0.02 0.00 -1.51 0.00 0.00 37.83 35.20 1bsq s LYS 70 CO 0.29 -0.03 -0.19 0.42 -0.36 0.00 0.00 175.35 175.48 1bsq s ILE 71 N 0.78 1.51 -0.32 5.43 1.01 -0.20 -4.99 121.20 124.41 1bsq s ILE 71 Ca -0.12 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.46 1bsq s ILE 71 Cb -0.15 -1.31 0.07 0.00 0.01 0.00 0.00 42.46 41.08 1bsq s ILE 71 CO 0.02 0.22 0.04 -0.51 0.00 0.00 0.00 174.94 174.71 1bsq s ILE 72 N -0.71 2.97 -0.45 2.92 1.10 -1.26 -0.63 121.20 125.14 1bsq s ILE 72 Ca 0.06 -1.60 -0.24 0.00 -0.51 0.00 0.00 60.65 58.36 1bsq s ILE 72 Cb -0.08 -2.81 0.03 0.00 0.15 0.00 0.00 42.46 39.74 1bsq s ILE 72 CO 0.01 -0.26 0.84 0.00 -2.11 0.00 0.00 174.94 173.42 1bsq s ALA 73 N 1.20 3.27 0.16 1.50 0.00 0.47 -4.63 121.76 123.73 1bsq s ALA 73 Ca -0.01 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 50.79 1bsq s ALA 73 Cb -0.20 -3.54 -0.08 0.00 0.00 0.00 0.00 23.12 19.30 1bsq s ALA 73 CO -0.02 -1.96 0.77 -1.21 0.00 0.00 0.00 175.76 173.33 1bsq s GLU 74 N 3.47 4.55 0.75 0.00 2.02 -0.30 -0.40 118.70 128.80 1bsq s GLU 74 Ca 0.33 1.14 -0.12 0.00 0.02 0.00 0.00 54.97 56.33 1bsq s GLU 74 Cb -0.11 -3.26 0.05 0.00 0.10 0.00 0.00 34.13 30.90 1bsq s GLU 74 CO 0.24 0.57 1.12 -1.59 0.02 0.00 0.00 175.26 175.62 1bsq s LYS 75 N -1.14 2.26 0.00 1.61 -2.85 -1.26 -0.03 119.74 118.33 1bsq s LYS 75 Ca 0.35 1.35 0.00 0.00 -1.00 0.00 0.00 55.97 56.68 1bsq s LYS 75 Cb -0.23 -1.88 0.00 0.00 -2.06 0.00 0.00 37.83 33.66 1bsq s LYS 75 CO 0.26 -1.67 0.00 0.25 0.10 0.00 0.00 175.35 174.29 1bsq n THR 76 N -3.17 0.00 0.21 3.79 -2.24 -1.22 -4.73 114.28 106.91 1bsq n THR 76 Ca 0.10 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.94 1bsq n THR 76 Cb 0.52 0.00 0.45 0.00 -2.10 0.00 0.00 70.33 69.21 1bsq n THR 76 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1bsq h LYS 77 N 0.00 0.00 -5.13 -0.78 1.57 -1.98 -3.40 116.57 106.85 1bsq h LYS 77 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1bsq h LYS 77 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.16 1bsq h LYS 77 CO 0.00 0.30 -0.26 0.42 -0.57 0.00 0.00 179.45 179.34 1bsq s ILE 78 N -4.04 5.19 0.35 1.86 1.09 -1.26 -4.97 121.20 119.42 1bsq s ILE 78 Ca -0.02 0.53 0.28 0.00 -1.10 0.00 0.00 60.65 60.34 1bsq s ILE 78 Cb 0.13 -3.69 0.28 0.00 -1.06 0.00 0.00 42.46 38.12 1bsq s ILE 78 CO 0.68 0.16 1.83 1.55 -0.10 0.00 0.00 174.94 179.06 1bsq h PRO 79 N 8.19 0.00 -0.03 2.79 0.13 -1.95 -2.19 132.00 138.95 1bsq h PRO 79 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1bsq h PRO 79 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1bsq h PRO 79 CO 0.64 0.00 -0.06 0.00 -0.23 0.00 0.00 178.00 178.35 1bsq n ALA 80 N -1.84 2.59 -3.33 -0.56 0.00 -1.26 -4.91 120.51 111.21 1bsq n ALA 80 Ca -0.02 -0.68 -0.30 0.00 0.00 0.00 0.00 53.44 52.44 1bsq n ALA 80 Cb 0.23 -0.79 -0.17 0.00 0.00 0.00 0.00 19.45 18.72 1bsq n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1bsq s VAL 81 N -2.03 1.81 0.15 0.00 1.01 -0.82 -1.65 120.40 118.86 1bsq s VAL 81 Ca 0.26 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.48 1bsq s VAL 81 Cb 0.19 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1bsq s VAL 81 CO 0.33 0.50 -0.24 -0.36 0.00 0.00 0.00 175.10 175.34 1bsq s PHE 82 N 0.49 2.14 -0.25 5.22 0.40 -0.68 -3.46 117.98 121.84 1bsq s PHE 82 Ca -0.16 -0.39 -0.08 0.00 -0.60 0.00 0.00 56.93 55.69 1bsq s PHE 82 Cb -0.17 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.21 1bsq s PHE 82 CO 0.06 0.37 0.09 0.15 0.70 0.00 0.00 175.22 176.59 1bsq s LYS 83 N -2.35 3.76 0.17 0.44 1.02 0.96 -1.59 119.74 122.14 1bsq s LYS 83 Ca 0.15 -0.43 0.09 0.00 0.02 0.00 0.00 55.97 55.81 1bsq s LYS 83 Cb -0.09 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 1bsq s LYS 83 CO 0.07 -0.12 -0.20 0.42 -0.92 0.00 0.00 175.35 174.60 1bsq s ILE 84 N 1.46 1.94 -0.37 2.17 1.01 0.18 -1.15 121.20 126.44 1bsq s ILE 84 Ca 0.06 -1.91 0.13 0.00 0.00 0.00 0.00 60.65 58.93 1bsq s ILE 84 Cb -0.15 -1.88 0.42 0.00 0.01 0.00 0.00 42.46 40.86 1bsq s ILE 84 CO 0.05 -0.24 0.94 -0.67 0.00 0.00 0.00 174.94 175.02 1bsq n ASP 85 N 0.37 2.20 0.00 3.58 2.03 -1.26 -3.78 116.55 119.69 1bsq n ASP 85 Ca -0.14 -3.04 0.00 0.00 0.52 0.00 0.00 54.79 52.13 1bsq n ASP 85 Cb 0.56 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1bsq n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bsq n ALA 86 N -0.09 0.00 -0.87 -1.67 0.00 -1.26 -4.93 120.51 111.69 1bsq n ALA 86 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.29 1bsq n ALA 86 Cb 0.73 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.13 1bsq n ALA 86 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1bsq n LEU 87 N 0.00 3.57 -1.29 0.00 -0.00 -1.26 -4.29 117.00 113.72 1bsq n LEU 87 Ca 0.00 -2.56 -0.13 0.00 -0.00 0.00 0.00 56.01 53.32 1bsq n LEU 87 Cb 0.00 -0.98 -0.06 0.00 -0.00 0.00 0.00 43.42 42.39 1bsq n LEU 87 CO 0.00 -0.41 -0.12 0.59 -0.00 0.00 0.00 177.39 177.45 1bsq n ASN 88 N 6.68 -3.81 -4.67 1.45 3.02 -1.26 -4.93 115.26 111.74 1bsq n ASN 88 Ca 0.44 0.32 -0.28 0.00 -0.03 0.00 0.00 54.58 55.04 1bsq n ASN 88 Cb 0.31 -3.41 -0.10 0.00 -0.61 0.00 0.00 39.78 35.97 1bsq n ASN 88 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1bsq s GLU 89 N -3.06 2.05 0.00 3.52 0.41 -1.26 -4.67 118.70 115.69 1bsq s GLU 89 Ca 0.00 -2.10 0.00 0.00 -0.41 0.00 0.00 54.97 52.46 1bsq s GLU 89 Cb 0.00 -1.70 0.00 0.00 -1.78 0.00 0.00 34.13 30.65 1bsq s GLU 89 CO 0.00 -0.12 0.00 0.09 -0.49 0.00 0.00 175.26 174.74 1bsq n ASN 90 N -1.08 1.51 -4.54 -0.19 4.13 -0.33 -3.99 115.26 110.77 1bsq n ASN 90 Ca -0.06 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 55.96 1bsq n ASN 90 Cb 0.66 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.81 1bsq n ASN 90 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1bsq s LYS 91 N -1.96 1.93 -0.08 3.52 1.02 -0.92 0.48 119.74 123.73 1bsq s LYS 91 Ca 0.00 -1.59 -0.00 0.00 0.02 0.00 0.00 55.97 54.39 1bsq s LYS 91 Cb 0.00 -1.95 0.02 0.00 -0.52 0.00 0.00 37.83 35.39 1bsq s LYS 91 CO 0.00 0.35 -0.04 0.08 -0.92 0.00 0.00 175.35 174.82 1bsq s VAL 92 N -2.35 0.70 -0.12 3.17 1.01 -0.62 -2.19 120.40 119.99 1bsq s VAL 92 Ca 0.30 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 1bsq s VAL 92 Cb -0.06 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1bsq s VAL 92 CO 0.17 0.30 -0.10 -0.76 0.00 0.00 0.00 175.10 174.70 1bsq s LEU 93 N 1.57 2.89 -0.29 3.92 1.02 0.10 -1.69 118.68 126.20 1bsq s LEU 93 Ca 0.00 -0.23 -0.13 0.00 0.02 0.00 0.00 54.13 53.79 1bsq s LEU 93 Cb -0.13 -1.65 -0.04 0.00 0.02 0.00 0.00 46.19 44.39 1bsq s LEU 93 CO -0.05 0.21 0.29 -0.69 0.02 0.00 0.00 176.35 176.13 1bsq s VAL 94 N 0.12 5.24 -0.12 -1.59 1.01 -0.66 -0.66 120.40 123.74 1bsq s VAL 94 Ca -0.05 0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 1bsq s VAL 94 Cb -0.14 -3.64 -0.26 0.00 0.00 0.00 0.00 36.38 32.33 1bsq s VAL 94 CO 0.04 0.16 0.37 0.18 0.00 0.00 0.00 175.10 175.85 1bsq n LEU 95 N 5.21 2.62 -3.48 3.92 4.77 0.69 -1.41 117.00 129.32 1bsq n LEU 95 Ca -0.11 0.22 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 1bsq n LEU 95 Cb 0.51 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.45 1bsq n LEU 95 CO 0.36 0.84 0.56 -0.62 -1.33 0.00 0.00 177.39 177.20 1bsq s ASP 96 N -7.04 -0.47 0.00 -1.43 3.68 -1.19 -2.91 116.67 107.31 1bsq s ASP 96 Ca -0.22 0.10 0.00 0.00 2.13 0.00 0.00 52.55 54.55 1bsq s ASP 96 Cb 0.07 0.48 0.00 0.00 -1.45 0.00 0.00 42.92 42.01 1bsq s ASP 96 CO 0.77 -0.73 0.00 1.07 0.13 0.00 0.00 175.17 176.40 1bsq n THR 97 N -0.12 0.00 -0.27 1.71 5.66 -1.26 -0.82 114.28 119.19 1bsq n THR 97 Ca -0.13 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 60.94 1bsq n THR 97 Cb 0.62 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.60 1bsq n THR 97 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1bsq n ASP 98 N 0.00 3.22 0.00 1.09 5.75 -1.19 -4.98 116.55 120.44 1bsq n ASP 98 Ca 0.00 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 1bsq n ASP 98 Cb 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 1bsq n ASP 98 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1bsq n TYR 99 N 0.69 0.00 0.05 2.11 4.02 -1.26 -4.47 117.16 118.30 1bsq n TYR 99 Ca 0.15 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.05 1bsq n TYR 99 Cb 0.50 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.75 1bsq n TYR 99 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1bsq h LYS 100 N 0.00 0.00 0.00 -0.72 2.10 -1.94 -3.45 116.57 112.56 1bsq h LYS 100 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1bsq h LYS 100 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1bsq h LYS 100 CO 0.00 0.26 -0.65 1.63 -2.00 0.00 0.00 179.45 178.69 1bsq n LYS 101 N -2.87 0.03 -4.25 0.07 5.02 -1.26 -4.70 118.16 110.20 1bsq n LYS 101 Ca -0.08 0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.08 1bsq n LYS 101 Cb 0.80 -0.56 -0.10 0.00 -0.02 0.00 0.00 35.03 35.15 1bsq n LYS 101 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1bsq s TYR 102 N -2.04 1.33 -0.19 2.13 1.13 -1.26 0.03 117.35 118.48 1bsq s TYR 102 Ca -0.02 -1.31 -0.09 0.00 -1.41 0.00 0.00 57.07 54.24 1bsq s TYR 102 Cb 0.01 -0.71 0.07 0.00 -1.10 0.00 0.00 41.96 40.23 1bsq s TYR 102 CO 0.03 -0.52 0.44 -1.17 -2.51 0.00 0.00 175.55 171.82 1bsq s LEU 103 N -3.23 -0.32 -0.18 -3.49 2.96 -0.81 -3.18 118.68 110.43 1bsq s LEU 103 Ca 0.38 0.98 -0.03 0.00 -0.22 0.00 0.00 54.13 55.25 1bsq s LEU 103 Cb 0.07 1.46 -0.02 0.00 0.50 0.00 0.00 46.19 48.20 1bsq s LEU 103 CO 0.13 -0.21 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.14 1bsq s LEU 104 N 1.74 3.00 0.08 -0.68 1.43 0.00 -1.55 118.68 122.70 1bsq s LEU 104 Ca -0.08 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1bsq s LEU 104 Cb -0.09 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1bsq s LEU 104 CO -0.14 0.08 0.02 0.72 0.23 0.00 0.00 176.35 177.26 1bsq s PHE 105 N 0.89 0.59 0.13 0.29 -0.12 -1.10 -0.22 117.98 118.44 1bsq s PHE 105 Ca -0.01 -1.08 0.04 0.00 -0.05 0.00 0.00 56.93 55.83 1bsq s PHE 105 Cb -0.15 -0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 41.81 1bsq s PHE 105 CO 0.01 -0.44 -0.09 0.00 -0.05 0.00 0.00 175.22 174.65 1bsq s MET 107 N -3.76 0.93 0.24 0.00 1.75 0.75 0.02 119.30 119.24 1bsq s MET 107 Ca 0.15 -0.88 -0.22 0.00 -1.25 0.00 0.00 55.69 53.49 1bsq s MET 107 Cb 0.03 -0.97 0.03 0.00 2.84 0.00 0.00 34.83 36.77 1bsq s MET 107 CO -0.01 0.23 0.74 -1.83 -0.65 0.00 0.00 175.02 173.50 1bsq s GLU 108 N -1.44 1.62 -0.18 4.11 -1.05 -0.93 -1.96 118.70 118.88 1bsq s GLU 108 Ca 0.01 -0.86 -0.00 0.00 -0.15 0.00 0.00 54.97 53.96 1bsq s GLU 108 Cb -0.09 0.58 0.01 0.00 -0.44 0.00 0.00 34.13 34.18 1bsq s GLU 108 CO 0.02 -0.74 -0.15 1.21 0.95 0.00 0.00 175.26 176.55 1bsq s ASN 109 N -2.89 3.54 0.59 0.83 3.84 -1.26 -1.18 114.94 118.40 1bsq s ASN 109 Ca 0.10 -0.54 0.29 0.00 0.21 0.00 0.00 52.86 52.91 1bsq s ASN 109 Cb -0.05 -1.56 1.70 0.00 -0.55 0.00 0.00 41.25 40.79 1bsq s ASN 109 CO 0.03 0.01 2.15 -1.28 -2.79 0.00 0.00 177.10 175.23 1bsq h SER 110 N 7.83 0.00 0.16 -4.21 0.87 -1.95 -2.04 113.55 114.21 1bsq h SER 110 Ca -0.42 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 59.93 1bsq h SER 110 Cb 1.16 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.14 1bsq h SER 110 CO 0.61 0.00 -0.96 0.00 -0.53 0.00 0.00 176.83 175.95 1bsq h ALA 111 N 1.85 -0.09 -2.53 6.23 0.00 -2.00 -3.39 119.26 119.34 1bsq h ALA 111 Ca 0.06 -0.75 -0.61 0.00 0.00 0.00 0.00 54.91 53.61 1bsq h ALA 111 Cb 0.31 0.14 -0.42 0.00 0.00 0.00 0.00 17.79 17.82 1bsq h ALA 111 CO -0.00 0.46 -0.60 0.39 0.00 0.00 0.00 179.25 179.50 1bsq n GLU 112 N -4.05 2.22 0.32 0.00 -0.58 -0.99 -4.98 120.64 112.59 1bsq n GLU 112 Ca -0.15 -4.57 -0.17 0.00 -0.42 0.00 0.00 57.16 51.85 1bsq n GLU 112 Cb 0.88 -2.25 -0.09 0.00 -0.57 0.00 0.00 31.44 29.41 1bsq n GLU 112 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1bsq h PRO 113 N 4.64 -0.89 0.00 3.49 0.11 -1.59 -3.06 132.00 134.69 1bsq h PRO 113 Ca 0.18 0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 1bsq h PRO 113 Cb 0.70 0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1bsq h PRO 113 CO 0.78 -0.59 -0.03 0.93 -0.21 0.00 0.00 178.00 178.88 1bsq h GLU 114 N -0.93 0.00 -0.69 1.05 5.08 -1.93 -2.98 114.58 114.17 1bsq h GLU 114 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1bsq h GLU 114 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1bsq h GLU 114 CO 0.03 0.03 0.00 1.04 -1.00 0.00 0.00 179.01 179.11 1bsq n GLN 115 N -3.80 3.24 0.00 2.33 6.02 -1.16 -4.46 117.38 119.54 1bsq n GLN 115 Ca -0.03 -2.78 0.00 0.00 -0.01 0.00 0.00 57.00 54.18 1bsq n GLN 115 Cb 0.12 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 29.65 1bsq n GLN 115 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1bsq n SER 116 N 1.39 1.47 -4.67 1.08 3.41 -1.14 -4.89 113.62 110.28 1bsq n SER 116 Ca 0.25 0.00 -0.57 0.00 -0.26 0.00 0.00 58.87 58.29 1bsq n SER 116 Cb 0.76 0.28 -0.07 0.00 -0.26 0.00 0.00 64.21 64.91 1bsq n SER 116 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1bsq n LEU 117 N -0.50 1.92 -3.69 1.04 7.94 -1.15 -4.61 117.00 117.96 1bsq n LEU 117 Ca 0.00 1.10 -0.15 0.00 -1.11 0.00 0.00 56.01 55.85 1bsq n LEU 117 Cb 0.02 -1.12 -0.15 0.00 0.53 0.00 0.00 43.42 42.70 1bsq n LEU 117 CO 0.00 -0.74 -0.20 0.00 -1.11 0.00 0.00 177.39 175.34 1bsq s ALA 118 N 2.37 -0.31 0.25 1.96 0.00 -0.83 -2.14 121.76 123.07 1bsq s ALA 118 Ca 0.94 0.71 0.12 0.00 0.00 0.00 0.00 51.96 53.73 1bsq s ALA 118 Cb -1.09 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 1bsq s ALA 118 CO 0.61 -0.44 -0.19 0.00 0.00 0.00 0.00 175.76 175.73 1bsq s GLN 120 N -3.26 0.80 -0.22 0.00 -0.21 -0.05 -1.95 119.66 114.78 1bsq s GLN 120 Ca 0.27 -1.31 0.01 0.00 0.02 0.00 0.00 55.36 54.35 1bsq s GLN 120 Cb -0.06 0.24 0.05 0.00 1.00 0.00 0.00 33.01 34.24 1bsq s GLN 120 CO 0.14 -0.21 -0.08 0.00 -2.12 0.00 0.00 175.29 173.03 1bsq s LEU 122 N 1.39 4.15 0.12 0.00 1.43 -0.60 -0.54 118.68 124.64 1bsq s LEU 122 Ca -0.04 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 1bsq s LEU 122 Cb -0.18 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1bsq s LEU 122 CO -0.07 0.22 -0.11 0.68 0.23 0.00 0.00 176.35 177.30 1bsq s VAL 123 N -1.37 1.08 -0.02 -1.59 -7.23 -0.22 -1.91 120.40 109.15 1bsq s VAL 123 Ca 0.29 -1.82 -0.25 0.00 -1.81 0.00 0.00 61.98 58.40 1bsq s VAL 123 Cb -0.13 -1.58 -0.19 0.00 0.56 0.00 0.00 36.38 35.04 1bsq s VAL 123 CO 0.21 -0.61 1.24 0.03 -0.31 0.00 0.00 175.10 175.66 1bsq h ARG 124 N 3.25 0.10 -6.28 4.82 2.47 -0.68 -0.83 114.38 117.23 1bsq h ARG 124 Ca -0.37 -0.06 -0.45 0.00 -1.26 0.00 0.00 59.98 57.84 1bsq h ARG 124 Cb 1.19 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1bsq h ARG 124 CO 0.57 0.60 -0.37 0.95 0.56 0.00 0.00 179.97 182.28 1bsq s THR 125 N -4.09 4.60 -0.15 2.04 -4.23 -1.26 -4.61 115.64 107.94 1bsq s THR 125 Ca -0.16 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 59.35 1bsq s THR 125 Cb 0.02 -3.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.20 1bsq s THR 125 CO 0.70 -0.24 2.74 -0.81 -0.54 0.00 0.00 174.62 176.46 1bsq n PRO 126 N -1.56 1.78 -3.92 3.99 -0.04 -1.26 -4.84 135.00 129.16 1bsq n PRO 126 Ca -0.04 -1.10 -0.27 0.00 -0.04 0.00 0.00 63.50 62.05 1bsq n PRO 126 Cb 0.58 -1.69 -0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1bsq n PRO 126 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1bsq n GLU 127 N 1.53 0.67 -3.93 0.54 1.02 -1.26 -4.53 120.64 114.69 1bsq n GLU 127 Ca 0.30 -3.50 -0.34 0.00 -0.02 0.00 0.00 57.16 53.60 1bsq n GLU 127 Cb 0.67 0.42 -0.14 0.00 -0.02 0.00 0.00 31.44 32.37 1bsq n GLU 127 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1bsq s VAL 128 N -2.77 2.88 -0.32 2.62 1.01 -1.26 -4.86 120.40 117.70 1bsq s VAL 128 Ca 0.29 -1.47 -0.17 0.00 0.00 0.00 0.00 61.98 60.63 1bsq s VAL 128 Cb -0.02 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1bsq s VAL 128 CO 0.19 -0.13 0.47 -0.62 0.00 0.00 0.00 175.10 175.01 1bsq s ASP 129 N 1.25 6.32 0.24 3.32 -1.08 -1.26 -4.94 116.67 120.52 1bsq s ASP 129 Ca -0.05 0.13 0.03 0.00 -0.52 0.00 0.00 52.55 52.14 1bsq s ASP 129 Cb -0.20 -2.25 0.28 0.00 -1.46 0.00 0.00 42.92 39.29 1bsq s ASP 129 CO -0.02 -0.37 1.60 0.44 0.52 0.00 0.00 175.17 177.34 1bsq h ASP 130 N 8.32 0.38 -0.39 -0.34 3.32 -1.99 -2.77 116.42 122.94 1bsq h ASP 130 Ca -0.29 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.49 1bsq h ASP 130 Cb 1.14 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1bsq h ASP 130 CO 0.73 0.82 -0.06 -0.33 -1.72 0.00 0.00 179.24 178.67 1bsq h GLU 131 N 0.28 0.82 0.10 3.56 5.08 -2.00 -2.24 114.58 120.18 1bsq h GLU 131 Ca 0.01 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1bsq h GLU 131 Cb 0.98 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1bsq h GLU 131 CO 0.08 0.86 -0.05 0.00 -1.00 0.00 0.00 179.01 178.90 1bsq h ALA 132 N 1.18 -0.14 -0.47 3.43 0.00 -1.95 -2.53 119.26 118.78 1bsq h ALA 132 Ca 0.13 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1bsq h ALA 132 Cb 0.54 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1bsq h ALA 132 CO 0.03 -0.39 0.32 -0.07 0.00 0.00 0.00 179.25 179.14 1bsq h LEU 133 N -0.50 0.23 0.47 0.00 3.38 -1.48 -0.42 115.31 116.98 1bsq h LEU 133 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1bsq h LEU 133 Cb 0.41 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1bsq h LEU 133 CO 0.02 0.14 -0.23 -0.08 0.09 0.00 0.00 178.44 178.39 1bsq h GLU 134 N 0.25 -0.61 -0.46 1.13 4.81 -1.16 -0.40 114.58 118.14 1bsq h GLU 134 Ca 0.22 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1bsq h GLU 134 Cb 0.53 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1bsq h GLU 134 CO -0.04 -0.39 0.22 0.87 -0.73 0.00 0.00 179.01 178.94 1bsq h LYS 135 N -0.67 0.64 -0.57 1.92 1.57 -0.93 -1.35 116.57 117.18 1bsq h LYS 135 Ca -0.06 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 1bsq h LYS 135 Cb 0.51 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1bsq h LYS 135 CO 0.11 0.50 -0.01 0.35 -0.57 0.00 0.00 179.45 179.83 1bsq h PHE 136 N 0.64 1.07 -0.21 -1.35 3.57 -0.74 -1.52 116.94 118.41 1bsq h PHE 136 Ca 0.16 -0.18 -0.19 0.00 3.53 0.00 0.00 57.97 61.29 1bsq h PHE 136 Cb 0.07 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.53 1bsq h PHE 136 CO 0.00 0.96 -0.62 -0.44 -2.23 0.00 0.00 178.31 175.98 1bsq h ASP 137 N 0.91 0.84 -0.62 0.41 3.32 -0.42 -1.50 116.42 119.36 1bsq h ASP 137 Ca 0.16 -0.48 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 1bsq h ASP 137 Cb 0.54 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1bsq h ASP 137 CO 0.03 1.25 0.38 0.11 -1.72 0.00 0.00 179.24 179.29 1bsq h LYS 138 N 0.54 0.83 0.00 3.56 1.57 -1.11 0.13 116.57 122.10 1bsq h LYS 138 Ca -0.01 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1bsq h LYS 138 Cb 1.22 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1bsq h LYS 138 CO 0.13 0.59 -0.12 0.00 -0.57 0.00 0.00 179.45 179.48 1bsq h ALA 139 N 1.20 0.99 0.00 3.86 0.00 -1.18 -3.13 119.26 120.99 1bsq h ALA 139 Ca 0.22 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1bsq h ALA 139 Cb -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1bsq h ALA 139 CO -0.04 0.15 -0.86 1.25 0.00 0.00 0.00 179.25 179.74 1bsq h LEU 140 N 0.00 0.00 -1.94 0.00 6.46 -0.13 -3.36 115.31 116.35 1bsq h LEU 140 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1bsq h LEU 140 Cb 0.73 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1bsq h LEU 140 CO 0.02 0.61 0.00 0.07 -0.62 0.00 0.00 178.44 178.52 1bsq h LYS 141 N 0.00 0.00 -0.09 1.25 2.10 -0.73 -2.30 116.57 116.80 1bsq h LYS 141 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1bsq h LYS 141 Cb 1.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.85 1bsq h LYS 141 CO 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.52 1bsq n ALA 142 N -1.98 2.48 -2.69 0.07 0.00 -1.26 -4.94 120.51 112.20 1bsq n ALA 142 Ca -0.01 -0.68 -0.23 0.00 0.00 0.00 0.00 53.44 52.52 1bsq n ALA 142 Cb 0.15 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 1bsq n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bsq s LEU 143 N -1.89 3.35 -1.38 0.00 1.43 -0.87 -5.05 118.68 114.27 1bsq s LEU 143 Ca 0.32 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 1bsq s LEU 143 Cb 0.21 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.56 1bsq s LEU 143 CO 0.31 0.00 2.68 -0.81 0.23 0.00 0.00 176.35 178.76 1bsq n PRO 144 N -0.87 4.08 -2.74 1.29 -0.04 -1.26 -4.98 135.00 130.48 1bsq n PRO 144 Ca -0.07 -2.83 -0.38 0.00 -0.04 0.00 0.00 63.50 60.18 1bsq n PRO 144 Cb 0.58 -2.67 -0.06 0.00 -0.04 0.00 0.00 33.50 31.32 1bsq n PRO 144 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1bsq s MET 145 N 0.26 4.63 0.00 0.54 -1.94 -1.26 -4.10 119.30 117.42 1bsq s MET 145 Ca 0.61 1.40 0.00 0.00 -1.71 0.00 0.00 55.69 56.00 1bsq s MET 145 Cb 0.19 -2.92 0.00 0.00 2.01 0.00 0.00 34.83 34.11 1bsq s MET 145 CO -0.08 0.31 0.26 0.72 -0.01 0.00 0.00 175.02 176.22 1bsq n HIS 146 N 0.78 0.00 -3.82 -0.03 8.25 0.27 -4.89 115.22 115.78 1bsq n HIS 146 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.35 1bsq n HIS 146 Cb 0.49 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.48 1bsq n HIS 146 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1bsq s ILE 147 N -0.31 0.00 -0.19 1.59 2.07 -1.13 -4.77 121.20 118.46 1bsq s ILE 147 Ca 0.00 -0.03 -0.04 0.00 -1.41 0.00 0.00 60.65 59.17 1bsq s ILE 147 Cb 0.00 -0.22 0.09 0.00 0.13 0.00 0.00 42.46 42.46 1bsq s ILE 147 CO 0.00 -0.02 0.27 -0.60 -1.91 0.00 0.00 174.94 172.69 1bsq s ARG 148 N 0.01 0.22 0.03 3.50 3.00 -1.26 -2.32 118.95 122.12 1bsq s ARG 148 Ca -0.01 0.47 0.03 0.00 -1.00 0.00 0.00 55.73 55.23 1bsq s ARG 148 Cb -0.01 -0.63 -0.04 0.00 0.00 0.00 0.00 34.95 34.27 1bsq s ARG 148 CO 0.00 -0.52 -0.03 -0.51 0.00 0.00 0.00 175.30 174.24 1bsq s LEU 149 N 2.41 3.34 0.03 -0.88 1.43 0.16 -4.99 118.68 120.18 1bsq s LEU 149 Ca 0.06 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1bsq s LEU 149 Cb -0.14 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1bsq s LEU 149 CO -0.12 0.25 -0.05 -0.94 0.23 0.00 0.00 176.35 175.72 1bsq s SER 150 N -1.72 0.55 0.24 2.29 1.04 -1.26 -0.76 113.70 114.07 1bsq s SER 150 Ca 0.20 -0.45 0.11 0.00 0.48 0.00 0.00 55.95 56.30 1bsq s SER 150 Cb -0.11 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.01 1bsq s SER 150 CO 0.11 -0.20 -0.16 -0.36 0.98 0.00 0.00 173.24 173.61 1bsq s PHE 151 N -1.18 2.41 0.23 5.02 0.40 -0.30 -4.99 117.98 119.56 1bsq s PHE 151 Ca -0.10 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1bsq s PHE 151 Cb -0.08 -1.10 -0.03 0.00 0.51 0.00 0.00 43.02 42.31 1bsq s PHE 151 CO -0.00 0.62 0.36 0.54 0.70 0.00 0.00 175.22 177.44 1bsq s ASN 152 N -3.24 6.32 0.25 1.36 2.20 -1.26 -4.96 114.94 115.60 1bsq s ASN 152 Ca 0.27 0.13 -0.08 0.00 -0.94 0.00 0.00 52.86 52.24 1bsq s ASN 152 Cb -0.06 -1.89 0.40 0.00 -2.00 0.00 0.00 41.25 37.70 1bsq s ASN 152 CO 0.15 -0.06 1.61 -0.65 -2.94 0.00 0.00 177.10 175.21 1bsq h PRO 153 N 1.35 0.05 -0.93 3.55 0.11 -1.89 0.34 132.00 134.57 1bsq h PRO 153 Ca -0.51 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.69 1bsq h PRO 153 Cb 1.22 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 1bsq h PRO 153 CO 0.63 0.03 0.60 1.15 -0.21 0.00 0.00 178.00 180.20 1bsq h THR 154 N 0.05 1.00 -0.11 -1.15 2.02 -1.96 -1.02 112.91 111.74 1bsq h THR 154 Ca 0.41 -0.34 -0.18 0.00 0.77 0.00 0.00 66.41 67.07 1bsq h THR 154 Cb 0.69 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1bsq h THR 154 CO -0.74 0.18 -0.68 1.56 0.37 0.00 0.00 175.52 176.21 1bsq h GLN 155 N 0.98 0.47 0.00 6.66 4.20 -1.32 -3.10 115.11 123.00 1bsq h GLN 155 Ca 0.43 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1bsq h GLN 155 Cb 0.34 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1bsq h GLN 155 CO -0.18 0.98 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.88 1bsq h LEU 156 N 0.33 0.00 -3.43 1.46 3.38 -0.26 -2.26 115.31 114.53 1bsq h LEU 156 Ca -0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1bsq h LEU 156 Cb 1.25 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.92 1bsq h LEU 156 CO 0.12 0.01 0.17 -0.62 0.09 0.00 0.00 178.44 178.21 1bsq n GLU 157 N -3.16 3.84 -4.28 1.13 -0.58 -0.96 -4.93 120.64 111.69 1bsq n GLU 157 Ca -0.02 -2.79 -0.22 0.00 -0.42 0.00 0.00 57.16 53.72 1bsq n GLU 157 Cb 0.15 -2.15 -0.13 0.00 -0.57 0.00 0.00 31.44 28.74 1bsq n GLU 157 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1bsq s GLU 158 N -2.68 1.03 -0.02 3.49 0.41 -0.85 -5.05 118.70 115.04 1bsq s GLU 158 Ca 0.49 -1.05 -0.30 0.00 -0.41 0.00 0.00 54.97 53.71 1bsq s GLU 158 Cb 0.39 -1.19 -0.07 0.00 -1.78 0.00 0.00 34.13 31.48 1bsq s GLU 158 CO 0.13 0.28 1.70 -0.65 -0.49 0.00 0.00 175.26 176.23 1bsq s GLN 159 N -1.74 4.18 -0.98 1.61 -1.52 -1.26 -0.90 119.66 119.05 1bsq s GLN 159 Ca 0.03 2.28 0.00 0.00 -1.95 0.00 0.00 55.36 55.72 1bsq s GLN 159 Cb -0.10 -3.94 0.00 0.00 -0.22 0.00 0.00 33.01 28.76 1bsq s GLN 159 CO 0.03 -0.84 0.00 0.00 -0.25 0.00 0.00 175.29 174.23 1bsq n HIS 161 N -2.58 -2.06 -0.87 0.00 8.25 -0.07 -5.06 115.22 112.83 1bsq n HIS 161 Ca -0.09 0.85 0.00 0.00 -0.26 0.00 0.00 57.72 58.21 1bsq n HIS 161 Cb 0.38 -4.51 0.00 0.00 1.12 0.00 0.00 29.99 26.98 1bsq n HIS 161 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09