#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbq s GLU 2 N 0.00 1.97 -0.15 1.43 -1.05 -1.26 -4.83 118.70 114.81 1wbq s GLU 2 Ca 0.00 -1.72 -0.14 0.00 -0.15 0.00 0.00 54.97 52.96 1wbq s GLU 2 Cb 0.00 0.47 -0.05 0.00 -0.44 0.00 0.00 34.13 34.12 1wbq s GLU 2 CO 0.00 -0.84 0.30 0.42 0.95 0.00 0.00 175.26 176.09 1wbq s ILE 3 N -2.92 5.30 0.57 1.83 -1.09 -1.26 -4.91 121.20 118.73 1wbq s ILE 3 Ca 0.28 0.56 -0.12 0.00 -2.23 0.00 0.00 60.65 59.14 1wbq s ILE 3 Cb -0.01 -3.64 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 1wbq s ILE 3 CO 0.19 0.40 1.00 -0.94 -1.23 0.00 0.00 174.94 174.35 1wbq s SER 4 N 0.41 6.36 0.29 3.58 1.04 -1.26 -4.94 113.70 119.17 1wbq s SER 4 Ca 0.17 1.44 0.03 0.00 0.48 0.00 0.00 55.95 58.06 1wbq s SER 4 Cb -0.13 -2.47 0.63 0.00 0.10 0.00 0.00 66.02 64.15 1wbq s SER 4 CO 0.04 -0.75 1.80 0.03 0.98 0.00 0.00 173.24 175.33 1wbq h ARG 5 N 0.14 0.80 -0.34 4.02 3.08 -1.97 -1.20 114.38 118.91 1wbq h ARG 5 Ca -0.45 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.48 1wbq h ARG 5 Cb 1.19 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 1wbq h ARG 5 CO 0.62 0.53 -0.07 1.96 -1.07 0.00 0.00 179.97 181.94 1wbq h GLN 6 N 0.83 0.56 -0.31 0.04 7.50 -1.99 -2.23 115.11 119.51 1wbq h GLN 6 Ca 0.53 -0.15 -0.07 0.00 0.50 0.00 0.00 58.65 59.46 1wbq h GLN 6 Cb 0.69 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.15 1wbq h GLN 6 CO -0.33 0.64 -0.07 1.49 -1.50 0.00 0.00 178.83 179.05 1wbq h GLU 7 N 0.53 0.60 -1.01 1.46 4.81 -1.60 -0.09 114.58 119.28 1wbq h GLU 7 Ca 0.10 -0.23 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1wbq h GLU 7 Cb 0.45 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.73 1wbq h GLU 7 CO 0.02 0.79 0.66 0.74 -0.73 0.00 0.00 179.01 180.48 1wbq h PHE 8 N 0.37 1.22 -0.20 0.92 0.04 -1.29 -0.97 116.94 117.04 1wbq h PHE 8 Ca 0.08 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1wbq h PHE 8 Cb 0.56 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1wbq h PHE 8 CO 0.05 0.66 0.07 0.37 -0.60 0.00 0.00 178.31 178.87 1wbq h GLN 9 N 1.22 0.31 -0.78 1.51 5.75 -1.24 -2.19 115.11 119.69 1wbq h GLN 9 Ca 0.42 -0.06 0.07 0.00 -0.15 0.00 0.00 58.65 58.93 1wbq h GLN 9 Cb 0.10 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.54 1wbq h GLN 9 CO -0.15 0.38 0.45 0.00 -2.65 0.00 0.00 178.83 176.86 1wbq h ARG 10 N 0.17 0.79 -0.37 1.69 3.08 -0.41 -1.42 114.38 117.90 1wbq h ARG 10 Ca 0.07 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1wbq h ARG 10 Cb 0.20 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1wbq h ARG 10 CO -0.00 0.52 0.13 0.00 -1.07 0.00 0.00 179.97 179.55 1wbq h ARG 11 N 0.81 0.56 -0.49 0.04 3.08 -1.07 -0.19 114.38 117.11 1wbq h ARG 11 Ca 0.35 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.31 1wbq h ARG 11 Cb 0.23 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1wbq h ARG 11 CO -0.20 0.55 0.31 0.00 -1.07 0.00 0.00 179.97 179.57 1wbq h ARG 12 N 0.44 0.61 -0.15 0.04 3.08 -1.07 -2.07 114.38 115.26 1wbq h ARG 12 Ca 0.12 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1wbq h ARG 12 Cb 0.22 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1wbq h ARG 12 CO -0.01 0.40 -0.23 1.96 -1.07 0.00 0.00 179.97 181.02 1wbq h GLN 13 N 0.63 0.26 -0.51 0.04 1.08 -1.10 -1.19 115.11 114.32 1wbq h GLN 13 Ca 0.19 -0.08 -0.09 0.00 -1.45 0.00 0.00 58.65 57.21 1wbq h GLN 13 Cb -0.03 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 1wbq h GLN 13 CO -0.06 0.49 -0.06 0.00 -0.95 0.00 0.00 178.83 178.25 1wbq h ALA 14 N 1.52 0.93 -0.01 3.87 0.00 -0.62 0.06 119.26 125.01 1wbq h ALA 14 Ca 0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1wbq h ALA 14 Cb 0.55 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wbq h ALA 14 CO 0.04 0.63 0.00 1.25 0.00 0.00 0.00 179.25 181.17 1wbq h LEU 15 N 0.83 0.01 -0.98 0.00 5.85 -1.06 -3.14 115.31 116.83 1wbq h LEU 15 Ca 0.14 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.67 1wbq h LEU 15 Cb 0.57 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 1wbq h LEU 15 CO 0.03 0.27 0.63 0.58 -0.34 0.00 0.00 178.44 179.61 1wbq h VAL 16 N -0.25 1.07 -0.60 1.05 2.07 -1.07 -0.57 116.25 117.95 1wbq h VAL 16 Ca 0.00 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.21 1wbq h VAL 16 Cb 0.26 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.84 1wbq h VAL 16 CO 0.00 0.21 0.40 -0.08 0.02 0.00 0.00 177.57 178.11 1wbq h GLU 17 N 1.14 0.49 -0.00 1.57 4.22 -0.98 -1.35 114.58 119.67 1wbq h GLU 17 Ca 0.42 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.84 1wbq h GLU 17 Cb 0.18 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1wbq h GLU 17 CO -0.18 0.32 -0.19 1.04 -2.18 0.00 0.00 179.01 177.83 1wbq n GLN 18 N -4.48 0.12 -2.96 1.92 6.02 -0.26 -4.89 117.38 112.85 1wbq n GLN 18 Ca 0.09 -0.04 -0.34 0.00 -0.01 0.00 0.00 57.00 56.70 1wbq n GLN 18 Cb 0.29 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.99 1wbq n GLN 18 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1wbq s MET 19 N -2.91 4.22 0.59 -1.09 -1.94 -0.51 -5.05 119.30 112.61 1wbq s MET 19 Ca 0.16 0.97 -0.19 0.00 -1.71 0.00 0.00 55.69 54.92 1wbq s MET 19 Cb 0.19 -2.46 -0.04 0.00 2.01 0.00 0.00 34.83 34.53 1wbq s MET 19 CO 0.58 0.14 1.20 -0.65 -0.01 0.00 0.00 175.02 176.28 1wbq s GLN 20 N -2.76 3.01 0.61 2.03 -0.21 -1.26 -5.01 119.66 116.06 1wbq s GLN 20 Ca 0.55 1.80 -0.18 0.00 0.02 0.00 0.00 55.36 57.55 1wbq s GLN 20 Cb -0.12 -1.94 -0.03 0.00 1.00 0.00 0.00 33.01 31.92 1wbq s GLN 20 CO 0.17 -1.17 1.21 -1.25 -2.12 0.00 0.00 175.29 172.13 1wbq s PRO 21 N -3.33 2.90 -0.75 2.91 0.04 -1.26 -3.61 135.00 131.89 1wbq s PRO 21 Ca 0.77 1.82 -0.00 0.00 0.04 0.00 0.00 61.00 63.63 1wbq s PRO 21 Cb -0.30 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1wbq s PRO 21 CO 0.32 -1.26 0.63 0.41 0.04 0.00 0.00 177.00 177.14 1wbq n GLY 22 N 0.50 -0.06 3.19 0.56 0.00 0.54 -4.80 105.19 105.11 1wbq n GLY 22 Ca 0.14 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1wbq n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wbq s SER 23 N -3.83 0.26 -0.00 1.61 1.04 -0.46 -0.63 113.70 111.70 1wbq s SER 23 Ca 0.01 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 55.43 1wbq s SER 23 Cb -0.01 0.31 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 1wbq s SER 23 CO 0.46 -0.74 -0.02 0.00 0.98 0.00 0.00 173.24 173.92 1wbq s ALA 24 N -3.98 0.15 -0.13 5.32 0.00 -0.79 -0.51 121.76 121.82 1wbq s ALA 24 Ca 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 1wbq s ALA 24 Cb 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1wbq s ALA 24 CO -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 175.76 175.73 1wbq s ALA 25 N -0.02 3.03 -0.20 0.00 0.00 0.32 0.09 121.76 124.99 1wbq s ALA 25 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 1wbq s ALA 25 Cb -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.64 1wbq s ALA 25 CO -0.00 0.35 -0.11 -0.51 0.00 0.00 0.00 175.76 175.49 1wbq s LEU 26 N -0.07 2.60 -0.17 0.00 1.43 -0.32 -1.31 118.68 120.84 1wbq s LEU 26 Ca 0.02 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1wbq s LEU 26 Cb -0.13 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.49 1wbq s LEU 26 CO 0.03 0.01 -0.10 -0.63 0.23 0.00 0.00 176.35 175.88 1wbq s ILE 27 N 1.30 1.45 -0.08 -0.59 1.01 -0.30 -4.51 121.20 119.48 1wbq s ILE 27 Ca 0.04 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 1wbq s ILE 27 Cb -0.14 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1wbq s ILE 27 CO -0.06 0.27 0.11 -0.36 0.00 0.00 0.00 174.94 174.90 1wbq s PHE 28 N 1.50 3.46 0.79 3.97 0.40 -1.26 -0.40 117.98 126.44 1wbq s PHE 28 Ca 0.02 0.39 -0.10 0.00 -0.60 0.00 0.00 56.93 56.64 1wbq s PHE 28 Cb -0.15 -1.87 0.07 0.00 0.51 0.00 0.00 43.02 41.58 1wbq s PHE 28 CO -0.09 0.65 1.10 0.00 0.70 0.00 0.00 175.22 177.58 1wbq s ALA 29 N -1.06 2.17 0.43 5.36 0.00 -0.25 -4.65 121.76 123.76 1wbq s ALA 29 Ca 0.17 0.29 -0.24 0.00 0.00 0.00 0.00 51.96 52.19 1wbq s ALA 29 Cb -0.12 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 1wbq s ALA 29 CO 0.07 -1.87 1.13 0.00 0.00 0.00 0.00 175.76 175.08 1wbq s ALA 30 N -2.88 3.04 0.65 0.00 0.00 -1.26 -4.82 121.76 116.48 1wbq s ALA 30 Ca 0.62 0.86 -0.14 0.00 0.00 0.00 0.00 51.96 53.30 1wbq s ALA 30 Cb -0.18 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 1wbq s ALA 30 CO 0.56 -0.48 1.07 -1.25 0.00 0.00 0.00 175.76 175.66 1wbq s PRO 31 N -2.56 3.01 0.70 0.00 0.04 -1.26 -4.41 135.00 130.52 1wbq s PRO 31 Ca 0.60 1.20 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 1wbq s PRO 31 Cb -0.27 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.31 1wbq s PRO 31 CO 0.33 -1.06 1.16 -1.21 0.04 0.00 0.00 177.00 176.26 1wbq s GLU 32 N -4.34 2.42 -0.09 4.56 2.02 -1.26 -4.92 118.70 117.08 1wbq s GLU 32 Ca 0.63 1.60 -0.00 0.00 0.02 0.00 0.00 54.97 57.22 1wbq s GLU 32 Cb -0.17 -1.88 0.02 0.00 0.10 0.00 0.00 34.13 32.20 1wbq s GLU 32 CO 0.43 -1.59 -0.06 0.08 0.02 0.00 0.00 175.26 174.14 1wbq s VAL 33 N -2.14 0.84 0.23 2.63 1.01 -1.26 -5.09 120.40 116.62 1wbq s VAL 33 Ca 0.71 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 1wbq s VAL 33 Cb -0.25 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.16 1wbq s VAL 33 CO 0.43 0.33 1.36 -0.89 0.00 0.00 0.00 175.10 176.33 1wbq s THR 34 N 1.50 2.97 -0.22 3.92 2.01 -1.26 -1.35 115.64 123.21 1wbq s THR 34 Ca -0.00 0.81 -0.16 0.00 0.31 0.00 0.00 61.69 62.65 1wbq s THR 34 Cb -0.13 -3.52 -0.11 0.00 0.01 0.00 0.00 72.50 68.75 1wbq s THR 34 CO -0.05 0.13 -0.22 -1.14 -0.69 0.00 0.00 174.62 172.65 1wbq n ARG 35 N 2.41 0.55 -3.65 4.92 0.63 -0.14 -4.67 116.66 116.72 1wbq n ARG 35 Ca 0.06 0.34 -0.07 0.00 -0.92 0.00 0.00 57.85 57.27 1wbq n ARG 35 Cb 0.42 -1.55 -0.07 0.00 0.45 0.00 0.00 32.46 31.71 1wbq n ARG 35 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wbq s SER 36 N -6.77 -0.92 1.29 6.15 0.15 -1.06 -5.03 113.70 107.51 1wbq s SER 36 Ca -0.32 1.46 0.00 0.00 0.70 0.00 0.00 55.95 57.79 1wbq s SER 36 Cb 0.09 1.46 0.00 0.00 -1.71 0.00 0.00 66.02 65.85 1wbq s SER 36 CO 0.46 -0.23 0.00 0.00 1.20 0.00 0.00 173.24 174.67 1wbq n ALA 37 N 4.49 0.00 1.31 5.45 0.00 -1.26 -1.31 120.51 129.19 1wbq n ALA 37 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.38 1wbq n ALA 37 Cb 0.57 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.43 1wbq n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wbq n ASP 38 N 6.89 1.15 -4.83 0.00 5.75 -1.26 -4.89 116.55 119.36 1wbq n ASP 38 Ca 0.00 -1.04 -0.37 0.00 -0.01 0.00 0.00 54.79 53.37 1wbq n ASP 38 Cb 0.00 0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 40.13 1wbq n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1wbq s SER 39 N -2.37 6.92 0.16 -1.12 1.04 -0.43 -5.02 113.70 112.88 1wbq s SER 39 Ca 0.28 1.15 0.10 0.00 0.48 0.00 0.00 55.95 57.96 1wbq s SER 39 Cb 0.20 -2.32 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 1wbq s SER 39 CO 0.47 0.18 -0.18 -1.61 0.98 0.00 0.00 173.24 173.08 1wbq s GLU 40 N -1.59 1.74 0.74 4.02 2.02 -1.26 -0.97 118.70 123.39 1wbq s GLU 40 Ca 0.34 -1.33 -0.14 0.00 0.02 0.00 0.00 54.97 53.86 1wbq s GLU 40 Cb -0.17 -2.02 0.04 0.00 0.10 0.00 0.00 34.13 32.08 1wbq s GLU 40 CO 0.19 0.44 1.16 0.71 0.02 0.00 0.00 175.26 177.78 1wbq s TYR 41 N -1.44 2.21 0.21 1.61 2.02 -0.46 -4.71 117.35 116.79 1wbq s TYR 41 Ca 0.20 1.61 -0.32 0.00 -0.37 0.00 0.00 57.07 58.19 1wbq s TYR 41 Cb -0.09 -3.33 -0.14 0.00 -0.40 0.00 0.00 41.96 38.00 1wbq s TYR 41 CO 0.11 -2.29 1.44 -2.30 -1.57 0.00 0.00 175.55 170.94 1wbq n PRO 42 N -2.90 2.01 -1.91 -1.71 -0.02 -1.26 -4.74 135.00 124.47 1wbq n PRO 42 Ca 0.12 0.72 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 1wbq n PRO 42 Cb 0.51 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 1wbq n PRO 42 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1wbq s TYR 43 N 0.22 2.86 -0.20 6.00 5.04 -1.26 -5.00 117.35 125.01 1wbq s TYR 43 Ca 0.72 0.98 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 1wbq s TYR 43 Cb -0.67 -3.93 0.05 0.00 0.35 0.00 0.00 41.96 37.75 1wbq s TYR 43 CO 0.46 -2.99 -0.07 0.50 -1.34 0.00 0.00 175.55 172.11 1wbq s ARG 44 N -0.76 1.72 0.50 4.97 6.06 -1.26 -5.12 118.95 125.05 1wbq s ARG 44 Ca 0.59 -0.76 -0.22 0.00 -2.50 0.00 0.00 55.73 52.84 1wbq s ARG 44 Cb -0.44 -2.32 -0.06 0.00 0.06 0.00 0.00 34.95 32.19 1wbq s ARG 44 CO 0.48 -0.47 1.26 -1.14 -2.50 0.00 0.00 175.30 172.93 1wbq s GLN 45 N 1.48 3.47 0.22 5.12 2.00 -1.26 -4.77 119.66 125.92 1wbq s GLN 45 Ca -0.02 2.01 -0.32 0.00 -2.00 0.00 0.00 55.36 55.03 1wbq s GLN 45 Cb -0.16 -2.35 -0.13 0.00 0.80 0.00 0.00 33.01 31.17 1wbq s GLN 45 CO -0.08 -0.85 1.51 -1.71 -0.50 0.00 0.00 175.29 173.66 1wbq n ASN 46 N -0.72 3.13 -0.28 6.67 2.85 -1.26 -4.87 115.26 120.77 1wbq n ASN 46 Ca 0.09 1.12 -0.06 0.00 -0.11 0.00 0.00 54.58 55.61 1wbq n ASN 46 Cb 0.46 -1.46 0.06 0.00 1.24 0.00 0.00 39.78 40.08 1wbq n ASN 46 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1wbq h SER 47 N 5.02 1.07 -0.40 1.20 0.02 -1.93 0.24 113.55 118.78 1wbq h SER 47 Ca -0.45 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.21 1wbq h SER 47 Cb 1.26 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1wbq h SER 47 CO 0.82 0.97 -0.15 0.44 -1.14 0.00 0.00 176.83 177.76 1wbq h ASP 48 N 1.11 0.82 -0.43 3.07 3.32 -1.95 0.39 116.42 122.75 1wbq h ASP 48 Ca 0.25 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 1wbq h ASP 48 Cb 0.25 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1wbq h ASP 48 CO -0.02 1.03 0.20 0.15 -1.72 0.00 0.00 179.24 178.88 1wbq h PHE 49 N 0.62 0.63 -0.57 4.55 3.57 -1.76 -2.89 116.94 121.08 1wbq h PHE 49 Ca 0.09 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1wbq h PHE 49 Cb 0.70 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 1wbq h PHE 49 CO 0.05 0.53 0.34 2.35 -2.23 0.00 0.00 178.31 179.35 1wbq h TRP 50 N 0.55 0.63 -0.96 0.41 2.91 -0.83 -2.60 115.95 116.06 1wbq h TRP 50 Ca 0.15 0.02 0.15 0.00 1.13 0.00 0.00 58.89 60.34 1wbq h TRP 50 Cb 0.14 -0.20 -0.08 0.00 -0.51 0.00 0.00 29.16 28.51 1wbq h TRP 50 CO -0.01 0.35 0.61 -0.92 -1.03 0.00 0.00 178.44 177.44 1wbq h TYR 51 N 0.66 0.99 -0.00 2.65 3.20 -0.71 0.58 116.97 124.34 1wbq h TYR 51 Ca 0.24 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1wbq h TYR 51 Cb 0.05 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1wbq h TYR 51 CO -0.07 0.33 -0.46 1.19 -1.64 0.00 0.00 178.16 177.52 1wbq n PHE 52 N -4.63 0.00 0.00 -3.82 3.72 -1.05 -4.72 117.46 106.96 1wbq n PHE 52 Ca 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 1wbq n PHE 52 Cb 0.47 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 1wbq n PHE 52 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1wbq n THR 53 N -1.22 0.00 -1.25 4.37 -2.24 -0.78 -4.79 114.28 108.36 1wbq n THR 53 Ca 0.07 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1wbq n THR 53 Cb 0.34 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.42 1wbq n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wbq n GLY 54 N 1.92 1.03 3.52 3.38 0.00 0.13 -4.97 105.19 110.20 1wbq n GLY 54 Ca 0.00 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 1wbq n GLY 54 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wbq s PHE 55 N -2.25 3.14 -0.51 1.61 5.36 -1.26 -5.02 117.98 119.05 1wbq s PHE 55 Ca 0.00 -0.21 0.02 0.00 -0.96 0.00 0.00 56.93 55.79 1wbq s PHE 55 Cb 0.00 -2.18 0.50 0.00 -0.34 0.00 0.00 43.02 41.00 1wbq s PHE 55 CO 0.00 -0.16 1.79 -1.71 -1.46 0.00 0.00 175.22 173.68 1wbq n ASN 56 N 4.40 5.76 -4.55 6.13 5.15 -1.26 -4.78 115.26 126.11 1wbq n ASN 56 Ca -0.16 -3.75 -0.31 0.00 -0.60 0.00 0.00 54.58 49.76 1wbq n ASN 56 Cb 0.52 -0.79 -0.11 0.00 -0.53 0.00 0.00 39.78 38.87 1wbq n ASN 56 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1wbq s GLU 57 N -3.61 2.25 1.01 1.20 2.02 -1.26 -4.93 118.70 115.38 1wbq s GLU 57 Ca 0.58 -0.91 -0.17 0.00 0.02 0.00 0.00 54.97 54.49 1wbq s GLU 57 Cb 0.47 -2.34 0.22 0.00 0.10 0.00 0.00 34.13 32.58 1wbq s GLU 57 CO 0.02 0.55 1.29 -1.25 0.02 0.00 0.00 175.26 175.89 1wbq s PRO 58 N -1.75 0.26 -1.24 0.39 0.04 -1.26 -4.49 135.00 126.95 1wbq s PRO 58 Ca 0.18 -0.38 -0.09 0.00 0.04 0.00 0.00 61.00 60.75 1wbq s PRO 58 Cb -0.11 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1wbq s PRO 58 CO 0.09 -2.68 0.70 0.39 0.04 0.00 0.00 177.00 175.55 1wbq n GLU 59 N -3.96 -2.87 -3.93 4.56 1.02 -1.26 -4.71 120.64 109.50 1wbq n GLU 59 Ca 0.15 0.53 -0.10 0.00 -0.02 0.00 0.00 57.16 57.72 1wbq n GLU 59 Cb 0.59 -4.68 -0.11 0.00 -0.02 0.00 0.00 31.44 27.23 1wbq n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wbq s ALA 60 N -3.62 -0.06 -0.07 0.62 0.00 -1.26 -3.46 121.76 113.91 1wbq s ALA 60 Ca 0.23 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 1wbq s ALA 60 Cb -0.07 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.19 1wbq s ALA 60 CO 0.84 -0.15 0.15 0.08 0.00 0.00 0.00 175.76 176.67 1wbq s VAL 61 N -1.20 -0.15 -0.18 0.00 1.01 0.03 -1.09 120.40 118.82 1wbq s VAL 61 Ca -0.13 0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 1wbq s VAL 61 Cb -0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1wbq s VAL 61 CO -0.00 0.11 0.41 -0.22 0.00 0.00 0.00 175.10 175.40 1wbq s LEU 62 N 1.71 4.20 -0.23 3.92 2.96 0.46 -0.89 118.68 130.81 1wbq s LEU 62 Ca -0.03 0.59 0.01 0.00 -0.22 0.00 0.00 54.13 54.48 1wbq s LEU 62 Cb -0.12 -2.55 0.04 0.00 0.50 0.00 0.00 46.19 44.06 1wbq s LEU 62 CO -0.06 -0.04 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.12 1wbq s VAL 63 N 1.05 2.32 -0.25 1.68 1.01 0.76 -1.15 120.40 125.82 1wbq s VAL 63 Ca 0.21 -1.24 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 1wbq s VAL 63 Cb -0.15 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1wbq s VAL 63 CO 0.08 0.22 0.10 -0.76 0.00 0.00 0.00 175.10 174.74 1wbq s LEU 64 N 1.22 3.63 -0.20 3.92 1.43 -0.43 -0.57 118.68 127.69 1wbq s LEU 64 Ca -0.02 -0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1wbq s LEU 64 Cb -0.17 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 1wbq s LEU 64 CO -0.08 -0.02 -0.06 -0.63 0.23 0.00 0.00 176.35 175.80 1wbq s ILE 65 N 1.53 3.35 -0.38 -0.59 1.01 0.57 -0.52 121.20 126.18 1wbq s ILE 65 Ca 0.06 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.13 1wbq s ILE 65 Cb -0.15 -2.50 0.06 0.00 0.01 0.00 0.00 42.46 39.88 1wbq s ILE 65 CO 0.05 0.45 0.17 -0.75 0.00 0.00 0.00 174.94 174.86 1wbq s LYS 66 N 1.19 2.52 -0.01 2.79 2.20 0.33 -0.83 119.74 127.92 1wbq s LYS 66 Ca 0.02 -1.38 -0.23 0.00 -0.36 0.00 0.00 55.97 54.03 1wbq s LYS 66 Cb -0.14 -3.58 -0.20 0.00 -1.51 0.00 0.00 37.83 32.40 1wbq s LYS 66 CO -0.01 -0.83 1.17 0.77 -0.36 0.00 0.00 175.35 176.09 1wbq h SER 67 N 8.25 0.28 -1.08 1.43 0.02 -1.50 0.19 113.55 121.14 1wbq h SER 67 Ca -0.22 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 1wbq h SER 67 Cb 1.08 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1wbq h SER 67 CO 0.67 0.87 0.00 -0.90 -1.14 0.00 0.00 176.83 176.33 1wbq n ASP 68 N -4.54 0.00 0.25 3.07 5.68 -1.03 -2.13 116.55 117.86 1wbq n ASP 68 Ca -0.08 -0.92 0.17 0.00 -0.50 0.00 0.00 54.79 53.45 1wbq n ASP 68 Cb 0.44 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.20 1wbq n ASP 68 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1wbq h ASP 69 N 0.00 0.00 0.00 -1.12 3.58 -1.97 -3.14 116.42 113.77 1wbq h ASP 69 Ca 0.00 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.27 1wbq h ASP 69 Cb 0.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 1wbq h ASP 69 CO 0.00 0.00 -1.67 0.35 -2.88 0.00 0.00 179.24 175.04 1wbq n THR 70 N -2.83 0.67 -3.69 2.25 -2.24 -1.26 -5.01 114.28 102.17 1wbq n THR 70 Ca -0.00 -0.38 -0.37 0.00 -2.27 0.00 0.00 64.05 61.03 1wbq n THR 70 Cb 0.20 -0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 67.53 1wbq n THR 70 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1wbq s HIS 71 N -2.24 3.19 0.07 4.78 3.76 -1.19 -5.07 115.29 118.59 1wbq s HIS 71 Ca -0.07 -0.05 -0.11 0.00 -0.15 0.00 0.00 55.06 54.68 1wbq s HIS 71 Cb 0.03 -2.29 0.01 0.00 1.11 0.00 0.00 32.58 31.44 1wbq s HIS 71 CO 0.37 -0.17 0.24 0.54 -0.85 0.00 0.00 174.74 174.87 1wbq s ASN 72 N 1.51 -0.00 0.25 1.40 2.20 -1.26 -1.42 114.94 117.62 1wbq s ASN 72 Ca 0.06 -0.42 -0.14 0.00 -0.94 0.00 0.00 52.86 51.42 1wbq s ASN 72 Cb -0.15 0.35 0.00 0.00 -2.00 0.00 0.00 41.25 39.45 1wbq s ASN 72 CO 0.07 -0.67 0.52 -1.38 -2.94 0.00 0.00 177.10 172.70 1wbq s HIS 73 N -3.19 0.25 -0.00 1.54 -3.43 -0.01 -5.00 115.29 105.45 1wbq s HIS 73 Ca -0.00 -0.63 0.06 0.00 -0.80 0.00 0.00 55.06 53.69 1wbq s HIS 73 Cb 0.02 0.29 -0.02 0.00 -1.43 0.00 0.00 32.58 31.44 1wbq s HIS 73 CO -0.07 -1.04 -0.19 -1.54 -2.00 0.00 0.00 174.74 169.89 1wbq s SER 74 N -3.00 2.27 -0.07 7.38 1.04 -1.26 -0.32 113.70 119.74 1wbq s SER 74 Ca 0.20 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.27 1wbq s SER 74 Cb -0.02 -0.24 0.01 0.00 0.10 0.00 0.00 66.02 65.88 1wbq s SER 74 CO 0.08 0.21 -0.14 -0.69 0.98 0.00 0.00 173.24 173.69 1wbq s VAL 75 N -0.53 1.27 -0.16 5.02 1.01 0.26 -2.46 120.40 124.80 1wbq s VAL 75 Ca 0.07 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 1wbq s VAL 75 Cb -0.08 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1wbq s VAL 75 CO -0.00 0.39 0.02 -0.22 0.00 0.00 0.00 175.10 175.28 1wbq s LEU 76 N 0.68 3.57 -0.19 3.92 2.96 0.17 -0.17 118.68 129.61 1wbq s LEU 76 Ca -0.14 0.00 -0.12 0.00 -0.22 0.00 0.00 54.13 53.65 1wbq s LEU 76 Cb -0.16 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 1wbq s LEU 76 CO 0.04 0.19 0.24 -0.36 -1.32 0.00 0.00 176.35 175.13 1wbq s PHE 77 N 0.28 3.40 0.20 5.38 0.08 -0.06 0.29 117.98 127.54 1wbq s PHE 77 Ca 0.01 0.45 -0.15 0.00 0.12 0.00 0.00 56.93 57.35 1wbq s PHE 77 Cb -0.13 -2.31 0.02 0.00 -0.57 0.00 0.00 43.02 40.03 1wbq s PHE 77 CO 0.01 0.18 0.48 0.54 -0.10 0.00 0.00 175.22 176.33 1wbq s ASN 78 N 0.66 -0.18 0.27 1.36 4.22 -0.43 -0.79 114.94 120.06 1wbq s ASN 78 Ca 0.13 -0.62 -0.29 0.00 -2.14 0.00 0.00 52.86 49.94 1wbq s ASN 78 Cb -0.13 0.56 -0.10 0.00 1.28 0.00 0.00 41.25 42.86 1wbq s ASN 78 CO 0.03 -1.04 1.37 -0.13 -2.04 0.00 0.00 177.10 175.29 1wbq s ARG 79 N -3.91 4.32 0.67 3.55 0.52 -1.22 -1.08 118.95 121.80 1wbq s ARG 79 Ca 0.12 2.24 -0.15 0.00 -0.52 0.00 0.00 55.73 57.41 1wbq s ARG 79 Cb -0.00 -3.11 0.01 0.00 0.52 0.00 0.00 34.95 32.37 1wbq s ARG 79 CO -0.01 -0.31 1.15 0.54 0.02 0.00 0.00 175.30 176.69 1wbq s VAL 80 N -0.43 2.91 0.10 3.52 0.11 -1.26 -3.61 120.40 121.74 1wbq s VAL 80 Ca 0.55 0.45 -0.31 0.00 -2.93 0.00 0.00 61.98 59.74 1wbq s VAL 80 Cb -0.40 -2.99 -0.07 0.00 -1.53 0.00 0.00 36.38 31.38 1wbq s VAL 80 CO 0.46 -0.24 1.33 -0.13 -3.33 0.00 0.00 175.10 173.19 1wbq s ARG 81 N -3.95 4.35 -0.04 1.54 0.52 -1.26 -4.80 118.95 115.31 1wbq s ARG 81 Ca 0.70 1.98 -0.02 0.00 -0.52 0.00 0.00 55.73 57.87 1wbq s ARG 81 Cb -0.24 -3.28 0.03 0.00 0.52 0.00 0.00 34.95 31.98 1wbq s ARG 81 CO 0.41 -0.38 0.05 0.34 0.02 0.00 0.00 175.30 175.74 1wbq s ASP 82 N 1.09 1.16 0.09 0.23 3.68 -1.26 -5.06 116.67 116.59 1wbq s ASP 82 Ca 0.63 0.04 -0.33 0.00 2.13 0.00 0.00 52.55 55.02 1wbq s ASP 82 Cb -0.35 -0.20 -0.15 0.00 -1.45 0.00 0.00 42.92 40.78 1wbq s ASP 82 CO 0.30 -0.23 1.59 0.25 0.13 0.00 0.00 175.17 177.21 1wbq h LEU 83 N 8.33 -1.11 0.26 -1.34 5.85 -2.00 -2.17 115.31 123.13 1wbq h LEU 83 Ca -0.16 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1wbq h LEU 83 Cb 1.12 0.37 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1wbq h LEU 83 CO 0.19 -0.57 -0.12 0.74 -0.34 0.00 0.00 178.44 178.34 1wbq h THR 84 N -0.85 0.80 -0.15 1.05 2.02 -2.00 -2.19 112.91 111.58 1wbq h THR 84 Ca -0.04 -0.44 0.04 0.00 0.77 0.00 0.00 66.41 66.74 1wbq h THR 84 Cb 0.75 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1wbq h THR 84 CO -0.05 0.10 0.17 0.00 0.37 0.00 0.00 175.52 176.11 1wbq h ALA 85 N 0.10 1.76 0.10 6.16 0.00 -1.97 -2.29 119.26 123.11 1wbq h ALA 85 Ca -0.04 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 1wbq h ALA 85 Cb 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1wbq h ALA 85 CO 0.06 -0.25 -1.72 0.93 0.00 0.00 0.00 179.25 178.27 1wbq h GLU 86 N 0.00 0.22 -0.88 0.00 5.08 -1.32 0.14 114.58 117.82 1wbq h GLU 86 Ca 0.07 -0.37 0.23 0.00 -1.00 0.00 0.00 59.36 58.29 1wbq h GLU 86 Cb 0.42 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.66 1wbq h GLU 86 CO -0.00 1.18 0.16 0.82 -1.00 0.00 0.00 179.01 180.17 1wbq h ILE 87 N -0.22 0.25 0.00 3.13 2.04 -1.05 0.87 117.51 122.54 1wbq h ILE 87 Ca -0.38 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1wbq h ILE 87 Cb 1.84 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1wbq h ILE 87 CO 0.03 0.03 0.00 0.79 0.00 0.00 0.00 178.15 179.00 1wbq n TRP 88 N -5.30 0.00 -0.12 1.37 7.02 -0.89 -4.57 117.44 114.94 1wbq n TRP 88 Ca 0.21 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.57 1wbq n TRP 88 Cb 0.68 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.64 1wbq n TRP 88 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1wbq n PHE 89 N -0.48 1.36 -0.03 -5.99 3.72 0.49 -4.97 117.46 111.58 1wbq n PHE 89 Ca 0.00 -1.22 0.00 0.00 -0.05 0.00 0.00 57.45 56.18 1wbq n PHE 89 Cb 0.00 -0.62 -0.00 0.00 -0.94 0.00 0.00 39.48 37.92 1wbq n PHE 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wbq n GLY 90 N -0.12 -2.65 3.75 1.37 0.00 0.29 -4.87 105.19 102.97 1wbq n GLY 90 Ca 0.27 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 1wbq n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wbq s ARG 91 N -3.13 3.25 0.01 1.61 0.52 -1.26 -4.37 118.95 115.58 1wbq s ARG 91 Ca 0.00 2.07 0.07 0.00 -0.52 0.00 0.00 55.73 57.35 1wbq s ARG 91 Cb 0.00 -2.24 -0.02 0.00 0.52 0.00 0.00 34.95 33.21 1wbq s ARG 91 CO 0.00 -1.05 -0.22 1.03 0.02 0.00 0.00 175.30 175.08 1wbq s ARG 92 N -2.92 1.64 0.12 3.54 0.52 -1.26 -5.05 118.95 115.53 1wbq s ARG 92 Ca 0.71 -0.89 -0.22 0.00 -0.52 0.00 0.00 55.73 54.81 1wbq s ARG 92 Cb -0.36 -1.68 -0.06 0.00 0.52 0.00 0.00 34.95 33.37 1wbq s ARG 92 CO 0.42 0.45 1.70 1.25 0.02 0.00 0.00 175.30 179.14 1wbq h LEU 93 N 5.21 -0.28 0.00 2.53 5.85 -1.94 -3.46 115.31 123.22 1wbq h LEU 93 Ca -0.42 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.39 1wbq h LEU 93 Cb 1.14 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1wbq h LEU 93 CO 0.46 -0.12 -0.04 0.61 -0.34 0.00 0.00 178.44 179.00 1wbq n GLY 94 N -1.22 -2.15 0.08 3.75 0.00 -1.24 -4.34 105.19 100.07 1wbq n GLY 94 Ca -0.04 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 1wbq n GLY 94 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wbq h GLN 95 N 0.00 0.07 -0.17 1.61 7.50 -1.90 -3.23 115.11 118.99 1wbq h GLN 95 Ca 0.00 -0.12 -0.07 0.00 0.50 0.00 0.00 58.65 58.96 1wbq h GLN 95 Cb 0.11 0.05 -0.00 0.00 0.05 0.00 0.00 27.48 27.68 1wbq h GLN 95 CO 0.00 0.87 -0.16 -0.44 -1.50 0.00 0.00 178.83 177.59 1wbq h ASP 96 N 0.02 0.44 1.62 1.46 3.32 -1.92 -3.26 116.42 118.10 1wbq h ASP 96 Ca -0.17 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.41 1wbq h ASP 96 Cb 1.92 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.35 1wbq h ASP 96 CO 0.12 0.83 -0.17 0.00 -1.72 0.00 0.00 179.24 178.29 1wbq h ALA 97 N 0.63 0.90 -0.23 3.45 0.00 -1.76 -3.40 119.26 118.86 1wbq h ALA 97 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1wbq h ALA 97 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1wbq h ALA 97 CO 0.04 0.00 0.06 0.00 0.00 0.00 0.00 179.25 179.35 1wbq h ALA 98 N 2.21 0.30 -0.53 0.00 0.00 -1.59 -1.53 119.26 118.11 1wbq h ALA 98 Ca 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.86 1wbq h ALA 98 Cb 0.89 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 1wbq h ALA 98 CO 0.00 -0.05 -0.08 -1.35 0.00 0.00 0.00 179.25 177.77 1wbq h PRO 99 N 0.19 0.05 -0.10 0.00 0.11 -1.75 0.22 132.00 130.71 1wbq h PRO 99 Ca 0.07 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 1wbq h PRO 99 Cb 0.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1wbq h PRO 99 CO 0.00 0.03 -0.27 1.49 -0.21 0.00 0.00 178.00 179.04 1wbq h GLU 100 N 0.05 0.36 0.04 1.05 4.22 -1.79 0.56 114.58 119.06 1wbq h GLU 100 Ca 0.26 -0.25 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 1wbq h GLU 100 Cb 0.41 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1wbq h GLU 100 CO -0.51 0.86 -0.02 -0.22 -2.18 0.00 0.00 179.01 176.95 1wbq h LYS 101 N -0.09 -0.06 -0.21 1.92 1.63 -0.96 -3.25 116.57 115.55 1wbq h LYS 101 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1wbq h LYS 101 Cb 0.88 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 1wbq h LYS 101 CO 0.06 0.08 0.00 1.28 -3.45 0.00 0.00 179.45 177.42 1wbq n LEU 102 N -5.06 3.05 -3.09 5.20 4.77 0.74 -4.99 117.00 117.63 1wbq n LEU 102 Ca -0.08 -1.29 -0.19 0.00 -0.03 0.00 0.00 56.01 54.42 1wbq n LEU 102 Cb 0.11 -0.13 0.07 0.00 -2.33 0.00 0.00 43.42 41.14 1wbq n LEU 102 CO 0.33 0.61 0.18 0.61 -1.33 0.00 0.00 177.39 177.79 1wbq n GLY 103 N 1.26 -0.29 3.67 -0.72 0.00 0.13 -4.99 105.19 104.25 1wbq n GLY 103 Ca 0.15 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1wbq n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wbq s VAL 104 N -3.28 3.91 0.15 1.61 -7.23 -0.85 -5.02 120.40 109.70 1wbq s VAL 104 Ca 0.39 -1.03 0.16 0.00 -1.81 0.00 0.00 61.98 59.68 1wbq s VAL 104 Cb -0.17 -2.86 0.06 0.00 0.56 0.00 0.00 36.38 33.97 1wbq s VAL 104 CO 0.61 0.12 1.64 0.44 -0.31 0.00 0.00 175.10 177.60 1wbq h ASP 105 N 3.47 0.00 -4.01 4.85 3.32 -1.81 -3.38 116.42 118.86 1wbq h ASP 105 Ca -0.48 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.46 1wbq h ASP 105 Cb 1.16 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.48 1wbq h ASP 105 CO 0.59 0.49 -0.19 -0.60 -1.72 0.00 0.00 179.24 177.80 1wbq s ARG 106 N -3.46 0.55 -0.05 3.56 3.52 -1.03 -4.98 118.95 117.05 1wbq s ARG 106 Ca 0.00 0.54 0.02 0.00 -0.13 0.00 0.00 55.73 56.17 1wbq s ARG 106 Cb 0.11 0.26 0.01 0.00 -1.56 0.00 0.00 34.95 33.77 1wbq s ARG 106 CO 0.72 -0.08 -0.11 0.00 -0.81 0.00 0.00 175.30 175.02 1wbq s ALA 107 N 0.07 1.09 0.20 6.12 0.00 -1.26 -0.66 121.76 127.33 1wbq s ALA 107 Ca -0.01 -0.37 0.09 0.00 0.00 0.00 0.00 51.96 51.67 1wbq s ALA 107 Cb -0.03 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1wbq s ALA 107 CO 0.01 0.12 -0.18 -0.51 0.00 0.00 0.00 175.76 175.20 1wbq s LEU 108 N 0.49 2.50 0.23 0.00 1.43 0.14 -4.90 118.68 118.58 1wbq s LEU 108 Ca -0.10 -0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 51.77 1wbq s LEU 108 Cb -0.13 -0.88 -0.09 0.00 0.03 0.00 0.00 46.19 45.12 1wbq s LEU 108 CO 0.02 -0.04 1.30 0.00 0.23 0.00 0.00 176.35 177.86 1wbq s ALA 109 N -2.34 3.52 0.41 4.21 0.00 -1.26 -1.31 121.76 124.99 1wbq s ALA 109 Ca 0.21 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.39 1wbq s ALA 109 Cb -0.05 -3.47 0.86 0.00 0.00 0.00 0.00 23.12 20.46 1wbq s ALA 109 CO 0.09 -0.54 1.99 0.35 0.00 0.00 0.00 175.76 177.64 1wbq h PHE 110 N 4.88 0.32 0.00 0.00 3.57 -1.40 -1.60 116.94 122.70 1wbq h PHE 110 Ca -0.46 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1wbq h PHE 110 Cb 1.22 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1wbq h PHE 110 CO 0.60 0.32 0.04 0.66 -2.23 0.00 0.00 178.31 177.70 1wbq h SER 111 N 0.31 0.00 -0.40 0.41 4.64 -1.92 -2.06 113.55 114.53 1wbq h SER 111 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1wbq h SER 111 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1wbq h SER 111 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1wbq n GLU 112 N -2.99 2.42 -0.17 4.77 -0.58 -0.60 -4.68 120.64 118.80 1wbq n GLU 112 Ca -0.03 -2.15 -0.01 0.00 -0.42 0.00 0.00 57.16 54.54 1wbq n GLU 112 Cb 0.10 -1.50 0.21 0.00 -0.57 0.00 0.00 31.44 29.68 1wbq n GLU 112 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1wbq h ILE 113 N 4.12 1.21 0.00 -3.67 2.10 -1.45 -1.21 117.51 118.61 1wbq h ILE 113 Ca 0.00 -0.60 -0.04 0.00 1.08 0.00 0.00 64.86 65.29 1wbq h ILE 113 Cb 0.91 0.40 -0.01 0.00 -1.09 0.00 0.00 36.82 37.03 1wbq h ILE 113 CO 0.00 0.25 -0.21 0.78 -1.08 0.00 0.00 178.15 177.89 1wbq h ASN 114 N 0.91 0.00 1.29 2.19 2.35 -1.83 0.22 115.58 120.72 1wbq h ASN 114 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1wbq h ASN 114 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1wbq h ASN 114 CO -0.03 0.21 -0.45 1.56 -1.65 0.00 0.00 177.43 177.07 1wbq h GLN 115 N 0.00 0.00 0.00 0.81 7.50 -1.61 -3.41 115.11 118.40 1wbq h GLN 115 Ca -0.00 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.10 1wbq h GLN 115 Cb 0.77 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.29 1wbq h GLN 115 CO 0.03 0.00 -1.20 1.04 -1.50 0.00 0.00 178.83 177.20 1wbq n GLN 116 N -2.53 2.48 -0.12 1.46 1.13 -0.56 -4.71 117.38 114.52 1wbq n GLN 116 Ca 0.03 0.01 -0.08 0.00 -1.94 0.00 0.00 57.00 55.01 1wbq n GLN 116 Cb 0.49 -1.07 -0.00 0.00 0.11 0.00 0.00 30.24 29.76 1wbq n GLN 116 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1wbq h LEU 117 N 0.00 0.46 -1.79 1.08 5.85 -0.80 -2.32 115.31 117.78 1wbq h LEU 117 Ca -0.08 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1wbq h LEU 117 Cb 1.16 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1wbq h LEU 117 CO -0.00 0.38 0.21 0.10 -0.34 0.00 0.00 178.44 178.78 1wbq h TYR 118 N 0.50 0.26 -0.35 1.25 -0.00 -1.82 -0.61 116.97 116.20 1wbq h TYR 118 Ca 0.14 0.01 -0.12 0.00 -0.00 0.00 0.00 58.73 58.75 1wbq h TYR 118 Cb 0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 36.73 36.63 1wbq h TYR 118 CO -0.04 0.15 -0.28 1.96 -0.00 0.00 0.00 178.16 179.95 1wbq h GLN 119 N 0.27 0.73 -0.16 0.10 4.20 -1.71 0.03 115.11 118.57 1wbq h GLN 119 Ca 0.13 -0.32 -0.10 0.00 0.06 0.00 0.00 58.65 58.42 1wbq h GLN 119 Cb 0.18 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1wbq h GLN 119 CO -0.03 0.93 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.66 1wbq h LEU 120 N 0.63 0.34 0.00 1.46 3.38 -0.81 -3.23 115.31 117.08 1wbq h LEU 120 Ca 0.08 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wbq h LEU 120 Cb 0.80 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1wbq h LEU 120 CO 0.07 0.66 -0.75 -0.07 0.09 0.00 0.00 178.44 178.43 1wbq h LEU 121 N 0.29 0.00 -9.26 1.67 3.38 -1.05 -3.46 115.31 106.87 1wbq h LEU 121 Ca 0.04 -0.05 -0.67 0.00 0.09 0.00 0.00 57.88 57.28 1wbq h LEU 121 Cb 0.73 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.51 1wbq h LEU 121 CO 0.06 0.02 0.81 -3.20 0.09 0.00 0.00 178.44 176.22 1wbq n ASN 122 N -2.61 2.51 0.00 -0.43 5.15 -0.02 -1.99 115.26 117.86 1wbq n ASN 122 Ca 0.01 1.07 0.00 0.00 -0.60 0.00 0.00 54.58 55.06 1wbq n ASN 122 Cb 0.52 -1.24 0.00 0.00 -0.53 0.00 0.00 39.78 38.53 1wbq n ASN 122 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wbq n GLY 123 N 3.67 1.58 3.85 8.20 0.00 -0.78 -4.95 105.19 116.76 1wbq n GLY 123 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1wbq n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wbq s LEU 124 N 0.00 3.27 -0.08 0.99 1.43 -0.84 -4.97 118.68 118.48 1wbq s LEU 124 Ca 0.00 1.51 0.07 0.00 -1.03 0.00 0.00 54.13 54.69 1wbq s LEU 124 Cb 0.00 -4.49 -0.24 0.00 0.03 0.00 0.00 46.19 41.50 1wbq s LEU 124 CO 0.00 -1.00 0.52 0.47 0.23 0.00 0.00 176.35 176.57 1wbq n ASP 125 N -2.65 1.20 -3.95 2.29 8.00 0.19 -3.20 116.55 118.43 1wbq n ASP 125 Ca 0.07 0.32 -0.17 0.00 0.71 0.00 0.00 54.79 55.71 1wbq n ASP 125 Cb 0.54 -0.23 -0.15 0.00 -0.02 0.00 0.00 41.12 41.26 1wbq n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wbq s VAL 126 N -2.58 0.46 -0.12 2.53 1.01 -1.08 -3.07 120.40 117.56 1wbq s VAL 126 Ca -0.11 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1wbq s VAL 126 Cb 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 36.04 1wbq s VAL 126 CO 0.80 0.15 -0.23 0.54 0.00 0.00 0.00 175.10 176.36 1wbq s VAL 127 N 0.09 2.08 -0.24 2.92 0.11 -0.37 -1.89 120.40 123.10 1wbq s VAL 127 Ca -0.01 -0.99 -0.16 0.00 -2.93 0.00 0.00 61.98 57.89 1wbq s VAL 127 Cb -0.05 -1.81 -0.04 0.00 -1.53 0.00 0.00 36.38 32.96 1wbq s VAL 127 CO -0.00 0.55 0.41 -0.31 -3.33 0.00 0.00 175.10 172.42 1wbq s TYR 128 N 0.56 3.30 -0.16 1.54 1.51 0.11 -1.09 117.35 123.12 1wbq s TYR 128 Ca -0.13 0.53 -0.11 0.00 -1.01 0.00 0.00 57.07 56.35 1wbq s TYR 128 Cb -0.17 -2.58 0.05 0.00 -0.11 0.00 0.00 41.96 39.15 1wbq s TYR 128 CO 0.04 -0.16 0.40 -1.58 -1.11 0.00 0.00 175.55 173.15 1wbq s HIS 129 N 1.83 -0.55 -1.32 2.71 2.46 -0.12 -1.17 115.29 119.13 1wbq s HIS 129 Ca 0.18 1.21 -0.16 0.00 0.47 0.00 0.00 55.06 56.76 1wbq s HIS 129 Cb -0.15 0.22 0.09 0.00 -0.13 0.00 0.00 32.58 32.61 1wbq s HIS 129 CO 0.09 -0.30 1.82 0.00 -2.47 0.00 0.00 174.74 173.87 1wbq n ALA 130 N 3.82 4.19 -1.92 1.58 0.00 -1.26 -3.88 120.51 123.04 1wbq n ALA 130 Ca -0.20 -3.95 -0.42 0.00 0.00 0.00 0.00 53.44 48.87 1wbq n ALA 130 Cb 0.56 -3.46 -0.03 0.00 0.00 0.00 0.00 19.45 16.52 1wbq n ALA 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1wbq s GLN 131 N 3.30 4.22 0.00 0.00 0.74 -1.26 -2.25 119.66 124.40 1wbq s GLN 131 Ca 0.50 2.36 0.00 0.00 0.05 0.00 0.00 55.36 58.27 1wbq s GLN 131 Cb 0.06 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 31.03 1wbq s GLN 131 CO 0.02 -0.58 0.00 0.41 -0.55 0.00 0.00 175.29 174.60 1wbq n GLY 132 N 3.42 0.84 0.13 2.59 0.00 -1.26 -4.95 105.19 105.96 1wbq n GLY 132 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1wbq n GLY 132 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wbq h GLU 133 N 3.67 -0.23 -4.30 1.61 4.57 -1.89 -3.44 114.58 114.57 1wbq h GLU 133 Ca 0.00 0.02 -0.35 0.00 -1.18 0.00 0.00 59.36 57.84 1wbq h GLU 133 Cb 0.00 0.05 -0.30 0.00 -0.16 0.00 0.00 28.75 28.35 1wbq h GLU 133 CO 0.00 0.04 -0.76 0.71 -1.18 0.00 0.00 179.01 177.82 1wbq s TYR 134 N -5.08 0.57 0.20 0.92 2.02 -1.26 -5.05 117.35 109.66 1wbq s TYR 134 Ca -0.15 -0.11 -0.09 0.00 -0.37 0.00 0.00 57.07 56.35 1wbq s TYR 134 Cb 0.03 -0.41 0.13 0.00 -0.40 0.00 0.00 41.96 41.31 1wbq s TYR 134 CO 0.61 -0.05 1.76 0.00 -1.57 0.00 0.00 175.55 176.31 1wbq h ALA 135 N 6.27 0.95 -0.30 3.71 0.00 -1.99 -2.25 119.26 125.65 1wbq h ALA 135 Ca -0.31 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1wbq h ALA 135 Cb 1.18 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1wbq h ALA 135 CO 0.50 0.59 -0.05 0.10 0.00 0.00 0.00 179.25 180.38 1wbq h TYR 136 N 1.06 0.50 -0.18 0.00 -0.00 -2.00 -1.68 116.97 114.68 1wbq h TYR 136 Ca 0.24 -0.06 -0.11 0.00 -0.00 0.00 0.00 58.73 58.81 1wbq h TYR 136 Cb 0.23 -0.14 0.00 0.00 -0.00 0.00 0.00 36.73 36.81 1wbq h TYR 136 CO 0.02 0.54 -0.31 0.00 -0.00 0.00 0.00 178.16 178.40 1wbq h ALA 137 N 1.49 0.28 -0.90 0.10 0.00 -1.92 -2.69 119.26 115.62 1wbq h ALA 137 Ca 0.09 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1wbq h ALA 137 Cb 0.39 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1wbq h ALA 137 CO 0.02 0.31 0.59 -0.44 0.00 0.00 0.00 179.25 179.73 1wbq h ASP 138 N 0.18 1.02 -0.19 0.00 3.32 -1.23 -1.09 116.42 118.42 1wbq h ASP 138 Ca 0.01 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1wbq h ASP 138 Cb 0.90 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1wbq h ASP 138 CO 0.07 0.73 0.10 0.58 -1.72 0.00 0.00 179.24 178.99 1wbq h VAL 139 N 1.20 1.00 -0.32 -1.35 2.07 -1.26 0.14 116.25 117.73 1wbq h VAL 139 Ca 0.34 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1wbq h VAL 139 Cb -0.10 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1wbq h VAL 139 CO -0.09 0.04 0.21 0.40 0.02 0.00 0.00 177.57 178.15 1wbq h ILE 140 N 0.21 1.08 -0.21 4.57 2.04 -1.17 -1.31 117.51 122.72 1wbq h ILE 140 Ca 0.08 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 1wbq h ILE 140 Cb 0.01 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1wbq h ILE 140 CO -0.05 0.08 -0.07 0.58 0.00 0.00 0.00 178.15 178.69 1wbq h VAL 141 N 0.43 1.29 -0.56 1.67 2.07 -1.09 -2.14 116.25 117.93 1wbq h VAL 141 Ca 0.12 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.52 1wbq h VAL 141 Cb -0.05 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1wbq h VAL 141 CO -0.02 0.33 0.22 0.78 0.02 0.00 0.00 177.57 178.90 1wbq h ASN 142 N 0.13 0.73 -0.37 0.57 2.35 -0.92 -1.56 115.58 116.52 1wbq h ASN 142 Ca 0.05 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 1wbq h ASN 142 Cb 0.53 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1wbq h ASN 142 CO 0.02 0.66 -0.05 0.28 -1.65 0.00 0.00 177.43 176.70 1wbq h SER 143 N 0.80 0.68 -0.13 5.81 0.02 -1.14 -0.77 113.55 118.82 1wbq h SER 143 Ca 0.19 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1wbq h SER 143 Cb 0.16 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1wbq h SER 143 CO -0.02 0.86 -0.06 0.00 -1.14 0.00 0.00 176.83 176.46 1wbq h ALA 144 N 0.85 0.05 -0.76 3.77 0.00 -1.09 -1.41 119.26 120.66 1wbq h ALA 144 Ca 0.10 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1wbq h ALA 144 Cb 0.54 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1wbq h ALA 144 CO 0.03 -0.52 0.27 -0.07 0.00 0.00 0.00 179.25 178.97 1wbq h LEU 145 N -0.05 1.08 -0.57 0.00 3.38 -1.22 -2.10 115.31 115.83 1wbq h LEU 145 Ca 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1wbq h LEU 145 Cb 0.16 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1wbq h LEU 145 CO -0.16 0.98 0.26 -0.33 0.09 0.00 0.00 178.44 179.28 1wbq h GLU 146 N 1.12 0.83 -0.86 1.13 4.39 -1.02 -0.33 114.58 119.83 1wbq h GLU 146 Ca 0.25 -0.13 0.05 0.00 0.34 0.00 0.00 59.36 59.87 1wbq h GLU 146 Cb 0.26 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 1wbq h GLU 146 CO -0.01 0.69 0.55 0.87 -1.16 0.00 0.00 179.01 179.94 1wbq h LYS 147 N 0.77 1.00 -0.06 2.33 1.57 -0.95 -1.63 116.57 119.60 1wbq h LYS 147 Ca 0.19 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1wbq h LYS 147 Cb 0.14 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1wbq h LYS 147 CO -0.02 0.66 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.42 1wbq h LEU 148 N 1.03 0.13 -0.42 2.94 3.38 -1.08 -1.91 115.31 119.37 1wbq h LEU 148 Ca 0.36 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1wbq h LEU 148 Cb 0.09 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1wbq h LEU 148 CO -0.15 0.52 0.13 0.03 0.09 0.00 0.00 178.44 179.06 1wbq h ARG 149 N -0.25 0.27 -0.00 1.13 3.08 -0.95 -2.29 114.38 115.37 1wbq h ARG 149 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wbq h ARG 149 Cb 0.47 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1wbq h ARG 149 CO 0.01 0.18 -0.00 1.63 -1.07 0.00 0.00 179.97 180.72 1wbq n LYS 150 N -5.04 1.10 -1.11 0.04 5.02 -0.62 -4.20 118.16 113.34 1wbq n LYS 150 Ca 0.03 -0.18 -0.18 0.00 -2.02 0.00 0.00 58.31 55.96 1wbq n LYS 150 Cb 0.17 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.86 1wbq n LYS 150 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wbq n GLY 151 N 1.05 4.74 0.29 0.72 0.00 -0.72 -4.65 105.19 106.62 1wbq n GLY 151 Ca 0.23 -1.22 0.01 0.00 0.00 0.00 0.00 46.02 45.03 1wbq n GLY 151 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wbq h SER 152 N 1.07 0.53 0.36 1.61 4.64 -1.73 -0.33 113.55 119.70 1wbq h SER 152 Ca 0.49 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.72 1wbq h SER 152 Cb 2.33 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 64.28 1wbq h SER 152 CO 0.88 0.51 -0.11 0.03 -0.87 0.00 0.00 176.83 177.28 1wbq h ARG 153 N 0.58 0.00 -0.65 4.77 3.08 -1.90 -1.12 114.38 119.14 1wbq h ARG 153 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1wbq h ARG 153 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1wbq h ARG 153 CO -0.01 0.11 0.00 1.04 -1.07 0.00 0.00 179.97 180.04 1wbq n GLN 154 N -3.62 3.74 -3.12 0.04 3.00 -0.28 -4.94 117.38 112.19 1wbq n GLN 154 Ca -0.02 -2.72 -0.23 0.00 -0.01 0.00 0.00 57.00 54.02 1wbq n GLN 154 Cb 0.23 -1.92 0.04 0.00 0.00 0.00 0.00 30.24 28.60 1wbq n GLN 154 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1wbq n ASN 155 N 0.99 -6.20 -4.89 1.08 3.02 -0.42 -5.01 115.26 103.83 1wbq n ASN 155 Ca 0.24 -0.33 -0.34 0.00 -0.03 0.00 0.00 54.58 54.12 1wbq n ASN 155 Cb 0.89 -4.97 -0.05 0.00 -0.61 0.00 0.00 39.78 35.04 1wbq n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wbq s LEU 156 N -6.77 4.35 0.01 3.41 1.43 -0.35 -4.99 118.68 115.77 1wbq s LEU 156 Ca 0.36 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 1wbq s LEU 156 Cb -0.16 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 1wbq s LEU 156 CO 0.44 0.30 -0.03 0.42 0.23 0.00 0.00 176.35 177.70 1wbq s THR 157 N -1.25 0.24 0.10 5.49 -4.23 -1.26 -3.84 115.64 110.89 1wbq s THR 157 Ca 0.24 -0.37 -0.13 0.00 -1.18 0.00 0.00 61.69 60.25 1wbq s THR 157 Cb -0.12 -0.25 -0.06 0.00 1.34 0.00 0.00 72.50 73.40 1wbq s THR 157 CO 0.15 -0.09 0.49 0.00 -0.54 0.00 0.00 174.62 174.63 1wbq s ALA 158 N -0.45 3.64 0.16 3.99 0.00 -1.26 -1.86 121.76 125.98 1wbq s ALA 158 Ca -0.03 -0.20 -0.32 0.00 0.00 0.00 0.00 51.96 51.41 1wbq s ALA 158 Cb -0.04 -2.44 -0.10 0.00 0.00 0.00 0.00 23.12 20.55 1wbq s ALA 158 CO -0.00 0.49 1.57 -1.25 0.00 0.00 0.00 175.76 176.57 1wbq s PRO 159 N -1.74 4.21 0.31 0.00 0.04 -1.19 -4.90 135.00 131.74 1wbq s PRO 159 Ca 0.33 2.36 0.24 0.00 0.04 0.00 0.00 61.00 63.98 1wbq s PRO 159 Cb -0.15 -3.17 0.50 0.00 0.04 0.00 0.00 34.50 31.71 1wbq s PRO 159 CO 0.18 -0.61 1.61 0.00 0.04 0.00 0.00 177.00 178.22 1wbq h ALA 160 N 6.87 0.93 -3.12 8.56 0.00 -1.81 -3.45 119.26 127.24 1wbq h ALA 160 Ca -0.43 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 53.84 1wbq h ALA 160 Cb 1.20 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.75 1wbq h ALA 160 CO 0.92 0.00 -0.68 0.99 0.00 0.00 0.00 179.25 180.48 1wbq s THR 161 N -3.18 3.79 -0.13 0.00 2.01 -1.17 -5.08 115.64 111.88 1wbq s THR 161 Ca 0.08 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1wbq s THR 161 Cb 0.09 -2.70 -0.00 0.00 0.01 0.00 0.00 72.50 69.89 1wbq s THR 161 CO 0.65 0.44 -0.19 -0.32 -0.69 0.00 0.00 174.62 174.52 1wbq s MET 162 N 1.00 3.18 -0.07 4.92 1.75 -1.26 -1.24 119.30 127.57 1wbq s MET 162 Ca 0.01 -0.79 0.04 0.00 -1.25 0.00 0.00 55.69 53.70 1wbq s MET 162 Cb -0.14 -2.49 0.00 0.00 2.84 0.00 0.00 34.83 35.03 1wbq s MET 162 CO 0.01 0.11 -0.18 0.42 -0.65 0.00 0.00 175.02 174.73 1wbq s ILE 163 N 0.55 1.60 -0.26 10.11 1.01 -0.25 -4.98 121.20 128.97 1wbq s ILE 163 Ca -0.11 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 1wbq s ILE 163 Cb -0.16 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 1wbq s ILE 163 CO 0.04 0.46 1.44 -0.62 0.00 0.00 0.00 174.94 176.26 1wbq s ASP 164 N 0.37 6.54 0.00 3.58 2.15 -1.25 -0.94 116.67 127.12 1wbq s ASP 164 Ca -0.14 1.39 0.27 0.00 0.43 0.00 0.00 52.55 54.50 1wbq s ASP 164 Cb -0.16 -2.54 1.23 0.00 -0.30 0.00 0.00 42.92 41.15 1wbq s ASP 164 CO 0.05 -1.16 1.88 -2.67 -0.17 0.00 0.00 175.17 173.11 1wbq n TRP 165 N 7.98 0.00 -0.12 -5.34 4.27 -1.26 -4.26 117.44 118.71 1wbq n TRP 165 Ca 0.16 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.72 1wbq n TRP 165 Cb 0.46 -0.42 0.02 0.00 -1.36 0.00 0.00 31.31 30.01 1wbq n TRP 165 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1wbq h ARG 166 N 0.00 0.34 -0.57 -2.67 3.08 -1.91 -0.81 114.38 111.84 1wbq h ARG 166 Ca 0.00 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1wbq h ARG 166 Cb 0.38 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 1wbq h ARG 166 CO 0.00 0.23 0.22 -1.35 -1.07 0.00 0.00 179.97 177.99 1wbq h PRO 167 N 0.35 0.40 -0.27 0.04 0.11 -1.99 0.30 132.00 130.94 1wbq h PRO 167 Ca 0.18 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1wbq h PRO 167 Cb 0.12 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 1wbq h PRO 167 CO -0.15 0.26 0.11 0.28 -0.21 0.00 0.00 178.00 178.29 1wbq h VAL 168 N 0.41 1.17 -0.36 3.15 2.07 -1.72 -1.63 116.25 119.33 1wbq h VAL 168 Ca 0.28 -0.51 -0.16 0.00 0.82 0.00 0.00 66.70 67.13 1wbq h VAL 168 Cb 0.31 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1wbq h VAL 168 CO -0.27 0.17 -0.39 0.58 0.02 0.00 0.00 177.57 177.68 1wbq h VAL 169 N 0.28 1.27 -0.09 2.57 2.07 -0.86 -2.07 116.25 119.43 1wbq h VAL 169 Ca 0.09 -1.57 -0.11 0.00 0.82 0.00 0.00 66.70 65.93 1wbq h VAL 169 Cb 0.17 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1wbq h VAL 169 CO -0.01 0.52 -0.43 0.45 0.02 0.00 0.00 177.57 178.13 1wbq h HIS 170 N 0.71 0.23 -0.43 1.57 3.86 -0.40 0.47 115.15 121.17 1wbq h HIS 170 Ca 0.05 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 1wbq h HIS 170 Cb 0.99 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.39 1wbq h HIS 170 CO 0.07 0.59 0.01 1.49 0.86 0.00 0.00 177.93 180.95 1wbq h GLU 171 N 0.16 0.68 0.04 2.45 4.57 -1.18 -1.68 114.58 119.63 1wbq h GLU 171 Ca 0.01 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1wbq h GLU 171 Cb 0.82 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1wbq h GLU 171 CO 0.06 0.69 -0.02 0.52 -1.18 0.00 0.00 179.01 179.09 1wbq h MET 172 N 0.65 -0.05 -0.05 1.92 2.86 -0.56 -3.17 114.93 116.52 1wbq h MET 172 Ca 0.13 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1wbq h MET 172 Cb 0.39 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1wbq h MET 172 CO 0.01 0.16 0.04 0.00 1.06 0.00 0.00 176.91 178.19 1wbq h ARG 173 N -0.26 0.00 0.00 1.72 3.08 -0.79 -2.43 114.38 115.71 1wbq h ARG 173 Ca -0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1wbq h ARG 173 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1wbq h ARG 173 CO 0.01 0.00 -0.16 1.25 -1.07 0.00 0.00 179.97 179.99 1wbq h LEU 174 N 0.00 0.00 -8.36 3.04 5.85 -1.28 -3.39 115.31 111.17 1wbq h LEU 174 Ca 0.02 0.00 -0.69 0.00 0.84 0.00 0.00 57.88 58.06 1wbq h LEU 174 Cb 0.11 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 40.88 1wbq h LEU 174 CO -0.00 0.16 -0.59 -0.36 -0.34 0.00 0.00 178.44 177.31 1wbq s PHE 175 N -4.64 3.19 0.16 1.25 0.40 -0.91 -4.07 117.98 113.35 1wbq s PHE 175 Ca -0.04 -1.03 -0.27 0.00 -0.60 0.00 0.00 56.93 54.99 1wbq s PHE 175 Cb 0.16 -2.31 -0.08 0.00 0.51 0.00 0.00 43.02 41.31 1wbq s PHE 175 CO 0.69 -0.61 0.84 0.15 0.70 0.00 0.00 175.22 176.99 1wbq s LYS 176 N 1.50 4.64 0.82 0.44 3.01 -0.23 -4.97 119.74 124.95 1wbq s LYS 176 Ca 0.02 1.26 -0.12 0.00 -1.01 0.00 0.00 55.97 56.12 1wbq s LYS 176 Cb -0.18 -3.30 0.08 0.00 -1.01 0.00 0.00 37.83 33.43 1wbq s LYS 176 CO 0.04 0.46 1.13 -1.54 0.51 0.00 0.00 175.35 175.95 1wbq s SER 177 N -0.82 4.33 0.26 2.83 1.04 -1.26 -4.77 113.70 115.31 1wbq s SER 177 Ca 0.39 1.07 -0.01 0.00 0.48 0.00 0.00 55.95 57.87 1wbq s SER 177 Cb -0.23 -1.72 0.48 0.00 0.10 0.00 0.00 66.02 64.65 1wbq s SER 177 CO 0.28 -2.04 1.82 -0.65 0.98 0.00 0.00 173.24 173.63 1wbq h PRO 178 N -1.14 0.88 -0.75 4.02 0.11 -1.99 -1.48 132.00 131.65 1wbq h PRO 178 Ca -0.48 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.61 1wbq h PRO 178 Cb 1.30 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 1wbq h PRO 178 CO 0.62 0.58 0.48 0.93 -0.21 0.00 0.00 178.00 180.40 1wbq h GLU 179 N 0.91 0.92 -0.57 1.05 5.08 -1.94 -1.19 114.58 118.83 1wbq h GLU 179 Ca 0.45 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.65 1wbq h GLU 179 Cb 0.42 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1wbq h GLU 179 CO -0.26 0.61 -0.05 0.93 -1.00 0.00 0.00 179.01 179.24 1wbq h GLU 180 N 0.95 1.05 -0.68 2.33 5.08 -1.82 -2.00 114.58 119.48 1wbq h GLU 180 Ca 0.30 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1wbq h GLU 180 Cb -0.01 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1wbq h GLU 180 CO -0.10 1.05 0.20 0.82 -1.00 0.00 0.00 179.01 179.98 1wbq h ILE 181 N 0.93 1.25 -0.78 3.13 2.04 -1.02 0.10 117.51 123.16 1wbq h ILE 181 Ca 0.16 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 1wbq h ILE 181 Cb 0.61 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1wbq h ILE 181 CO 0.04 0.34 0.28 0.00 0.00 0.00 0.00 178.15 178.81 1wbq h ALA 182 N 1.20 1.02 -0.38 1.87 0.00 -0.92 0.12 119.26 122.17 1wbq h ALA 182 Ca 0.22 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1wbq h ALA 182 Cb 0.30 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1wbq h ALA 182 CO -0.01 0.67 -0.05 0.28 0.00 0.00 0.00 179.25 180.14 1wbq h VAL 183 N 1.15 1.27 -0.03 0.00 2.07 -1.04 -2.10 116.25 117.57 1wbq h VAL 183 Ca 0.26 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 1wbq h VAL 183 Cb 0.26 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1wbq h VAL 183 CO -0.01 0.37 -0.28 -0.07 0.02 0.00 0.00 177.57 177.59 1wbq h LEU 184 N 0.51 0.05 -0.37 2.57 3.38 -0.76 -0.28 115.31 120.41 1wbq h LEU 184 Ca 0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1wbq h LEU 184 Cb 0.55 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1wbq h LEU 184 CO 0.03 0.34 0.17 -0.09 0.09 0.00 0.00 178.44 178.97 1wbq h ARG 185 N 0.05 0.53 -0.50 1.13 2.43 -0.52 0.13 114.38 117.64 1wbq h ARG 185 Ca 0.01 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 1wbq h ARG 185 Cb 0.53 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1wbq h ARG 185 CO 0.04 0.49 -0.18 -0.09 -1.51 0.00 0.00 179.97 178.72 1wbq h ARG 186 N 0.45 0.99 -0.93 0.20 9.65 -0.81 -1.71 114.38 122.22 1wbq h ARG 186 Ca 0.12 -0.40 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 1wbq h ARG 186 Cb 0.14 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.63 1wbq h ARG 186 CO -0.01 1.08 0.59 0.00 2.80 0.00 0.00 179.97 184.42 1wbq h ALA 187 N 0.92 1.29 -0.67 2.80 0.00 -0.85 -0.44 119.26 122.31 1wbq h ALA 187 Ca 0.12 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1wbq h ALA 187 Cb 0.75 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1wbq h ALA 187 CO 0.06 0.63 0.11 0.78 0.00 0.00 0.00 179.25 180.83 1wbq h GLY 188 N 1.27 1.19 0.76 0.00 0.00 -0.68 -1.43 103.07 104.18 1wbq h GLY 188 Ca 0.34 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1wbq h GLY 188 CO -0.07 0.73 -0.08 -2.09 0.00 0.00 0.00 176.54 175.04 1wbq h GLU 189 N 1.04 0.33 -0.38 4.80 4.81 -0.99 0.74 114.58 124.93 1wbq h GLU 189 Ca 0.20 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1wbq h GLU 189 Cb 0.44 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1wbq h GLU 189 CO 0.01 0.65 0.19 0.82 -0.73 0.00 0.00 179.01 179.95 1wbq h ILE 190 N 0.01 0.98 -0.65 2.32 2.04 -1.05 -0.81 117.51 120.35 1wbq h ILE 190 Ca 0.04 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1wbq h ILE 190 Cb 0.55 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1wbq h ILE 190 CO 0.02 0.07 0.17 0.74 0.00 0.00 0.00 178.15 179.16 1wbq h THR 191 N 0.38 1.25 -0.64 -0.27 2.02 -1.20 -2.15 112.91 112.31 1wbq h THR 191 Ca 0.16 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 1wbq h THR 191 Cb 0.07 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1wbq h THR 191 CO -0.11 0.35 0.39 0.00 0.37 0.00 0.00 175.52 176.51 1wbq h ALA 192 N 1.06 0.81 -0.78 6.16 0.00 -0.51 -1.78 119.26 124.23 1wbq h ALA 192 Ca 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wbq h ALA 192 Cb 0.34 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1wbq h ALA 192 CO -0.00 0.28 0.49 0.52 0.00 0.00 0.00 179.25 180.54 1wbq h MET 193 N 0.87 1.05 -0.56 0.00 2.07 -0.92 -0.95 114.93 116.49 1wbq h MET 193 Ca 0.23 -0.08 -0.08 0.00 -2.07 0.00 0.00 59.70 57.70 1wbq h MET 193 Cb -0.04 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.45 1wbq h MET 193 CO -0.04 0.72 0.04 0.00 1.07 0.00 0.00 176.91 178.70 1wbq h ALA 194 N 1.47 0.75 -0.49 6.32 0.00 -0.93 -1.60 119.26 124.78 1wbq h ALA 194 Ca 0.28 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1wbq h ALA 194 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1wbq h ALA 194 CO -0.06 0.54 -0.18 0.45 0.00 0.00 0.00 179.25 180.00 1wbq h HIS 195 N 0.84 1.09 -0.23 0.00 3.86 -0.95 -1.85 115.15 117.92 1wbq h HIS 195 Ca 0.16 -0.25 0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1wbq h HIS 195 Cb 0.48 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1wbq h HIS 195 CO 0.04 1.05 0.08 1.15 0.86 0.00 0.00 177.93 181.11 1wbq h THR 196 N 0.84 0.95 -0.55 2.45 2.02 -1.13 -2.18 112.91 115.32 1wbq h THR 196 Ca 0.12 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.27 1wbq h THR 196 Cb 0.74 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1wbq h THR 196 CO 0.06 0.03 0.31 -0.09 0.37 0.00 0.00 175.52 176.21 1wbq h ARG 197 N 0.19 0.59 -0.54 6.66 2.43 -1.17 -1.15 114.38 121.39 1wbq h ARG 197 Ca 0.10 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1wbq h ARG 197 Cb 0.06 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1wbq h ARG 197 CO -0.10 0.39 0.34 0.00 -1.51 0.00 0.00 179.97 179.10 1wbq h ALA 198 N 1.26 0.69 -0.85 2.80 0.00 -1.11 0.38 119.26 122.44 1wbq h ALA 198 Ca 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1wbq h ALA 198 Cb 0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1wbq h ALA 198 CO -0.12 0.08 0.45 0.52 0.00 0.00 0.00 179.25 180.18 1wbq h MET 199 N 0.69 1.19 -0.02 0.00 2.86 -1.02 -1.25 114.93 117.38 1wbq h MET 199 Ca 0.21 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 1wbq h MET 199 Cb -0.03 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.39 1wbq h MET 199 CO -0.07 0.89 -0.59 0.93 1.06 0.00 0.00 176.91 179.13 1wbq h GLU 200 N 1.19 0.08 0.00 1.72 5.08 -0.59 -3.27 114.58 118.80 1wbq h GLU 200 Ca 0.30 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.39 1wbq h GLU 200 Cb 0.06 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1wbq h GLU 200 CO -0.04 0.65 -1.34 0.87 -1.00 0.00 0.00 179.01 178.14 1wbq h LYS 201 N 0.06 0.00 -6.27 2.33 1.79 -0.73 -3.44 116.57 110.31 1wbq h LYS 201 Ca -0.01 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.79 1wbq h LYS 201 Cb 1.06 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.75 1wbq h LYS 201 CO 0.08 0.54 0.75 0.00 -1.08 0.00 0.00 179.45 179.73 1wbq s ARG 203 N 2.03 0.44 0.34 0.00 1.81 -1.26 -4.96 118.95 117.34 1wbq s ARG 203 Ca 0.89 -0.46 -0.28 0.00 -1.72 0.00 0.00 55.73 54.17 1wbq s ARG 203 Cb -0.90 -0.30 -0.12 0.00 -0.45 0.00 0.00 34.95 33.17 1wbq s ARG 203 CO 0.52 0.07 1.23 -2.30 -0.68 0.00 0.00 175.30 174.13 1wbq n PRO 204 N 2.22 1.95 0.00 3.54 -0.02 -1.26 -2.55 135.00 138.88 1wbq n PRO 204 Ca -0.18 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1wbq n PRO 204 Cb 0.57 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1wbq n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wbq n GLY 205 N 0.87 2.91 3.79 -1.23 0.00 0.08 -4.98 105.19 106.63 1wbq n GLY 205 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1wbq n GLY 205 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wbq s MET 206 N -0.86 3.00 0.42 1.61 -1.94 -1.06 -4.75 119.30 115.72 1wbq s MET 206 Ca 0.00 1.26 -0.10 0.00 -1.71 0.00 0.00 55.69 55.14 1wbq s MET 206 Cb 0.00 -1.99 -0.06 0.00 2.01 0.00 0.00 34.83 34.79 1wbq s MET 206 CO 0.00 -1.07 0.78 -0.06 -0.01 0.00 0.00 175.02 174.66 1wbq s PHE 207 N -2.48 3.48 0.26 -0.03 0.40 -1.26 0.11 117.98 118.47 1wbq s PHE 207 Ca 0.64 1.02 -0.01 0.00 -0.60 0.00 0.00 56.93 57.99 1wbq s PHE 207 Cb -0.18 -2.43 0.55 0.00 0.51 0.00 0.00 43.02 41.47 1wbq s PHE 207 CO 0.42 -0.14 1.75 0.93 0.70 0.00 0.00 175.22 178.88 1wbq h GLU 208 N 1.10 0.55 0.00 0.44 5.08 -1.89 -1.75 114.58 118.12 1wbq h GLU 208 Ca -0.47 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1wbq h GLU 208 Cb 1.19 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1wbq h GLU 208 CO 0.63 0.37 -0.07 0.10 -1.00 0.00 0.00 179.01 179.04 1wbq h TYR 209 N 0.57 0.00 -0.84 4.33 -0.00 -1.53 -2.30 116.97 117.20 1wbq h TYR 209 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.20 1wbq h TYR 209 Cb 0.71 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.40 1wbq h TYR 209 CO -0.11 0.07 0.53 0.45 -0.00 0.00 0.00 178.16 179.10 1wbq h HIS 210 N 0.00 1.07 -0.12 0.10 3.86 -1.63 -0.69 115.15 117.74 1wbq h HIS 210 Ca -0.00 0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.06 1wbq h HIS 210 Cb 0.21 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 1wbq h HIS 210 CO 0.00 0.70 -0.59 -0.07 0.86 0.00 0.00 177.93 178.83 1wbq h LEU 211 N 1.14 0.46 -0.80 2.43 3.38 -1.52 -1.78 115.31 118.62 1wbq h LEU 211 Ca 0.30 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1wbq h LEU 211 Cb -0.09 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1wbq h LEU 211 CO -0.06 0.95 0.50 -0.08 0.09 0.00 0.00 178.44 179.83 1wbq h GLU 212 N 0.31 0.91 -0.55 1.13 4.81 -1.40 -1.27 114.58 118.53 1wbq h GLU 212 Ca -0.00 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1wbq h GLU 212 Cb 1.12 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 1wbq h GLU 212 CO 0.10 0.60 0.20 0.78 -0.73 0.00 0.00 179.01 179.96 1wbq h GLY 213 N 0.94 0.90 0.99 1.92 0.00 -0.66 -0.61 103.07 106.55 1wbq h GLY 213 Ca 0.34 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1wbq h GLY 213 CO -0.15 0.48 0.23 0.83 0.00 0.00 0.00 176.54 177.93 1wbq h GLU 214 N 0.75 0.50 -0.31 4.80 4.39 -1.14 -1.80 114.58 121.77 1wbq h GLU 214 Ca 0.18 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1wbq h GLU 214 Cb 0.24 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1wbq h GLU 214 CO -0.01 0.36 0.16 0.82 -1.16 0.00 0.00 179.01 179.18 1wbq h ILE 215 N 0.49 1.14 -0.23 3.13 2.04 -1.03 -1.90 117.51 121.15 1wbq h ILE 215 Ca 0.13 -0.39 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 1wbq h ILE 215 Cb -0.02 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1wbq h ILE 215 CO -0.03 0.15 -0.30 0.45 0.00 0.00 0.00 178.15 178.42 1wbq h HIS 216 N 0.38 0.51 -0.67 1.37 3.86 -1.04 -1.58 115.15 117.99 1wbq h HIS 216 Ca 0.11 -0.12 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 1wbq h HIS 216 Cb 0.09 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 1wbq h HIS 216 CO -0.02 0.71 0.10 1.25 0.86 0.00 0.00 177.93 180.82 1wbq h HIS 217 N 0.39 1.18 -0.24 2.45 -0.00 -1.11 -1.37 115.15 116.46 1wbq h HIS 217 Ca 0.05 -0.17 -0.04 0.00 -0.00 0.00 0.00 60.37 60.21 1wbq h HIS 217 Cb 0.73 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 1wbq h HIS 217 CO 0.02 0.99 -0.01 1.49 -0.00 0.00 0.00 177.93 180.42 1wbq h GLU 218 N 1.03 0.43 -0.33 5.26 4.57 -1.05 -1.67 114.58 122.82 1wbq h GLU 218 Ca 0.20 -0.14 0.07 0.00 -1.18 0.00 0.00 59.36 58.31 1wbq h GLU 218 Cb 0.46 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.93 1wbq h GLU 218 CO 0.01 0.62 -0.18 0.74 -1.18 0.00 0.00 179.01 179.02 1wbq h PHE 219 N 0.19 -0.46 -0.58 0.92 0.04 -1.12 -2.72 116.94 113.22 1wbq h PHE 219 Ca 0.07 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 1wbq h PHE 219 Cb 0.43 0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.81 1wbq h PHE 219 CO 0.04 -0.26 0.28 -0.97 -0.60 0.00 0.00 178.31 176.80 1wbq h ASN 220 N -0.13 0.73 1.45 2.17 -0.73 -1.02 -1.46 115.58 116.58 1wbq h ASN 220 Ca 0.17 -0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.27 1wbq h ASN 220 Cb 0.40 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.80 1wbq h ASN 220 CO -0.42 0.62 -0.01 0.08 -0.37 0.00 0.00 177.43 177.33 1wbq h ARG 221 N 0.81 0.00 -0.30 6.67 0.11 -0.98 -1.52 114.38 119.17 1wbq h ARG 221 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 1wbq h ARG 221 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 1wbq h ARG 221 CO -0.03 0.01 0.00 0.72 0.10 0.00 0.00 179.97 180.77 1wbq n HIS 222 N -3.10 0.39 -0.57 4.08 8.25 -0.99 -4.92 115.22 118.35 1wbq n HIS 222 Ca 0.02 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1wbq n HIS 222 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1wbq n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wbq n GLY 223 N 1.22 0.73 3.36 -1.41 0.00 -0.57 -5.01 105.19 103.50 1wbq n GLY 223 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 1wbq n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbq s ALA 224 N -2.24 3.89 0.29 4.61 0.00 -0.58 -4.92 121.76 122.80 1wbq s ALA 224 Ca 0.00 -3.15 0.04 0.00 0.00 0.00 0.00 51.96 48.84 1wbq s ALA 224 Cb 0.00 -3.64 0.43 0.00 0.00 0.00 0.00 23.12 19.91 1wbq s ALA 224 CO 0.00 -2.45 1.72 0.00 0.00 0.00 0.00 175.76 175.03 1wbq h ARG 225 N 8.08 0.40 -6.72 0.00 3.08 -1.79 -2.95 114.38 114.49 1wbq h ARG 225 Ca 0.10 -0.16 -0.69 0.00 0.07 0.00 0.00 59.98 59.30 1wbq h ARG 225 Cb 1.04 -0.02 -0.24 0.00 0.08 0.00 0.00 29.97 30.83 1wbq h ARG 225 CO 0.85 0.67 -0.86 0.71 -1.07 0.00 0.00 179.97 180.27 1wbq s TYR 226 N -4.39 2.39 0.66 3.04 2.02 -1.26 -4.77 117.35 115.04 1wbq s TYR 226 Ca -0.06 -0.36 -0.16 0.00 -0.37 0.00 0.00 57.07 56.12 1wbq s TYR 226 Cb 0.14 -1.39 -0.00 0.00 -0.40 0.00 0.00 41.96 40.30 1wbq s TYR 226 CO 0.78 0.20 1.14 -2.14 -1.57 0.00 0.00 175.55 173.97 1wbq s PRO 227 N -1.44 2.73 0.25 -1.71 0.02 -1.26 -0.96 135.00 132.63 1wbq s PRO 227 Ca 0.13 1.54 0.26 0.00 0.02 0.00 0.00 61.00 62.95 1wbq s PRO 227 Cb -0.10 -1.93 0.76 0.00 0.02 0.00 0.00 34.50 33.25 1wbq s PRO 227 CO 0.04 -1.33 1.75 0.66 -0.33 0.00 0.00 177.00 177.79 1wbq h SER 228 N 0.18 0.00 -5.00 2.53 4.64 -1.24 -3.41 113.55 111.24 1wbq h SER 228 Ca -0.48 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.89 1wbq h SER 228 Cb 1.26 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.27 1wbq h SER 228 CO 0.53 0.00 0.26 -0.72 -0.87 0.00 0.00 176.83 176.04 1wbq s TYR 229 N -3.13 -0.33 0.04 4.77 1.13 -1.26 -4.72 117.35 113.85 1wbq s TYR 229 Ca 0.10 0.01 -0.31 0.00 -1.41 0.00 0.00 57.07 55.46 1wbq s TYR 229 Cb 0.11 0.63 -0.07 0.00 -1.10 0.00 0.00 41.96 41.53 1wbq s TYR 229 CO 0.60 -1.00 1.54 -0.80 -2.51 0.00 0.00 175.55 173.38 1wbq s ASN 230 N -2.82 6.71 0.20 -0.18 0.01 -1.26 -4.74 114.94 112.85 1wbq s ASN 230 Ca 0.07 2.33 -0.30 0.00 -0.71 0.00 0.00 52.86 54.25 1wbq s ASN 230 Cb -0.03 -2.56 -0.09 0.00 0.41 0.00 0.00 41.25 38.97 1wbq s ASN 230 CO -0.02 -0.81 1.36 -0.89 -1.51 0.00 0.00 177.10 175.22 1wbq s THR 231 N 2.48 3.07 -0.23 1.60 2.01 -1.26 -4.96 115.64 118.35 1wbq s THR 231 Ca 0.70 0.87 -0.08 0.00 0.31 0.00 0.00 61.69 63.49 1wbq s THR 231 Cb -0.36 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 1wbq s THR 231 CO 0.30 0.12 0.08 -0.63 -0.69 0.00 0.00 174.62 173.81 1wbq s ILE 232 N 0.22 4.65 -0.47 1.82 1.01 -0.44 -4.66 121.20 123.34 1wbq s ILE 232 Ca 0.59 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.20 1wbq s ILE 232 Cb -0.38 -3.15 0.15 0.00 0.01 0.00 0.00 42.46 39.09 1wbq s ILE 232 CO 0.38 0.37 0.29 -0.69 0.00 0.00 0.00 174.94 175.30 1wbq s VAL 233 N 1.14 1.38 -0.46 2.92 1.01 -1.25 -1.38 120.40 123.75 1wbq s VAL 233 Ca 0.05 -2.79 -0.10 0.00 0.00 0.00 0.00 61.98 59.14 1wbq s VAL 233 Cb -0.14 -1.95 0.10 0.00 0.00 0.00 0.00 36.38 34.39 1wbq s VAL 233 CO 0.04 -0.98 0.34 -0.83 0.00 0.00 0.00 175.10 173.67 1wbq s GLY 234 N 0.06 2.02 0.12 4.51 0.00 0.29 -4.55 107.32 109.78 1wbq s GLY 234 Ca 0.21 -2.37 -0.05 0.00 0.00 0.00 0.00 44.72 42.51 1wbq s GLY 234 CO -0.06 1.07 0.35 -1.35 0.00 0.00 0.00 173.10 173.11 1wbq s SER 235 N 2.57 6.49 1.90 1.64 1.04 -1.26 -1.11 113.70 124.97 1wbq s SER 235 Ca 0.04 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1wbq s SER 235 Cb -0.25 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1wbq s SER 235 CO 0.01 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1wbq n GLY 236 N 0.22 3.60 0.13 7.32 0.00 0.12 -1.89 105.19 114.69 1wbq n GLY 236 Ca -0.04 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1wbq n GLY 236 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wbq n GLU 237 N 14.00 0.21 0.27 1.61 1.02 -1.25 -1.87 120.64 134.63 1wbq n GLU 237 Ca 0.00 0.39 0.14 0.00 -0.02 0.00 0.00 57.16 57.68 1wbq n GLU 237 Cb 0.00 -1.87 0.76 0.00 -0.02 0.00 0.00 31.44 30.31 1wbq n GLU 237 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1wbq h ASN 238 N 0.00 0.00 -0.02 1.62 2.35 -1.67 -2.94 115.58 114.92 1wbq h ASN 238 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1wbq h ASN 238 Cb 0.43 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1wbq h ASN 238 CO 0.00 0.10 0.02 1.23 -1.65 0.00 0.00 177.43 177.12 1wbq h GLY 239 N 0.99 0.00 2.00 2.83 0.00 -1.40 -2.13 103.07 105.36 1wbq h GLY 239 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wbq h GLY 239 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1wbq s ILE 241 N -3.03 5.03 0.15 0.00 1.01 -0.80 -4.98 121.20 118.58 1wbq s ILE 241 Ca 0.12 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.75 1wbq s ILE 241 Cb 0.16 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1wbq s ILE 241 CO 0.50 -0.29 1.74 -0.07 0.00 0.00 0.00 174.94 176.83 1wbq h LEU 242 N 9.11 0.55 -5.23 2.97 3.38 -1.85 -3.02 115.31 121.21 1wbq h LEU 242 Ca -0.28 -0.10 -0.69 0.00 0.09 0.00 0.00 57.88 56.90 1wbq h LEU 242 Cb 1.12 -0.14 -0.35 0.00 0.09 0.00 0.00 40.66 41.38 1wbq h LEU 242 CO 0.78 0.49 0.16 1.41 0.09 0.00 0.00 178.44 181.37 1wbq n HIS 243 N -4.69 3.32 -2.63 1.13 8.25 -1.26 -4.98 115.22 114.36 1wbq n HIS 243 Ca 0.01 -3.01 -0.43 0.00 -0.26 0.00 0.00 57.72 54.03 1wbq n HIS 243 Cb 0.09 -0.72 -0.02 0.00 1.12 0.00 0.00 29.99 30.46 1wbq n HIS 243 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1wbq s TYR 244 N -3.85 2.84 0.00 4.41 5.04 -1.14 -4.85 117.35 119.80 1wbq s TYR 244 Ca 0.47 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 1wbq s TYR 244 Cb 0.33 -4.36 0.00 0.00 0.35 0.00 0.00 41.96 38.29 1wbq s TYR 244 CO -0.22 -1.23 0.65 0.25 -1.34 0.00 0.00 175.55 173.66 1wbq n THR 245 N 6.76 0.37 -0.13 4.34 -2.24 -1.26 -4.05 114.28 118.06 1wbq n THR 245 Ca 0.11 -0.63 -0.10 0.00 -2.27 0.00 0.00 64.05 61.16 1wbq n THR 245 Cb 0.49 0.88 0.04 0.00 -2.10 0.00 0.00 70.33 69.63 1wbq n THR 245 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1wbq h GLU 246 N 0.00 0.90 -6.61 -0.78 3.07 -1.88 -3.47 114.58 105.81 1wbq h GLU 246 Ca 0.00 -0.38 -0.52 0.00 -0.50 0.00 0.00 59.36 57.95 1wbq h GLU 246 Cb 0.25 -0.03 -0.13 0.00 -0.84 0.00 0.00 28.75 28.00 1wbq h GLU 246 CO 0.00 1.03 -0.85 0.09 -1.40 0.00 0.00 179.01 177.89 1wbq n ASN 247 N -4.10 -2.32 -2.88 1.42 3.02 -1.26 -4.91 115.26 104.23 1wbq n ASN 247 Ca -0.00 -0.99 -0.33 0.00 -0.03 0.00 0.00 54.58 53.23 1wbq n ASN 247 Cb 0.46 -2.99 0.01 0.00 -0.61 0.00 0.00 39.78 36.65 1wbq n ASN 247 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1wbq n GLU 248 N -4.43 3.52 -4.49 3.52 0.28 -1.26 -1.29 120.64 116.48 1wbq n GLU 248 Ca -0.08 -4.31 -0.34 0.00 -0.16 0.00 0.00 57.16 52.27 1wbq n GLU 248 Cb 0.57 -2.29 -0.12 0.00 1.43 0.00 0.00 31.44 31.03 1wbq n GLU 248 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1wbq s GLU 250 N -3.81 3.49 0.01 3.44 2.12 -1.26 -4.86 118.70 117.83 1wbq s GLU 250 Ca 0.48 -0.55 -0.26 0.00 0.36 0.00 0.00 54.97 55.00 1wbq s GLU 250 Cb 0.36 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.88 1wbq s GLU 250 CO -0.24 0.31 0.82 -1.64 -0.54 0.00 0.00 175.26 173.96 1wbq s MET 251 N 0.17 4.51 -0.10 4.30 -1.94 0.12 -4.89 119.30 121.48 1wbq s MET 251 Ca -0.03 1.13 0.00 0.00 -1.71 0.00 0.00 55.69 55.08 1wbq s MET 251 Cb -0.14 -3.41 -0.02 0.00 2.01 0.00 0.00 34.83 33.26 1wbq s MET 251 CO 0.03 0.13 -0.09 1.03 -0.01 0.00 0.00 175.02 176.12 1wbq s ARG 252 N 0.45 3.07 -0.03 2.03 0.52 -1.26 -0.74 118.95 122.99 1wbq s ARG 252 Ca 0.42 -0.60 -0.38 0.00 -0.52 0.00 0.00 55.73 54.65 1wbq s ARG 252 Cb -0.20 -2.63 -0.17 0.00 0.52 0.00 0.00 34.95 32.47 1wbq s ARG 252 CO 0.23 0.45 1.46 -3.47 0.02 0.00 0.00 175.30 174.00 1wbq n ASP 253 N 2.85 1.82 0.00 0.23 2.03 -1.26 -1.77 116.55 120.45 1wbq n ASP 253 Ca -0.18 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.24 1wbq n ASP 253 Cb 0.53 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 1wbq n ASP 253 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wbq n GLY 254 N 3.02 2.85 3.94 0.27 0.00 -1.26 -5.03 105.19 108.98 1wbq n GLY 254 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1wbq n GLY 254 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wbq s ASP 255 N -1.37 6.32 0.36 1.61 1.01 -0.73 -4.97 116.67 118.89 1wbq s ASP 255 Ca 0.00 0.50 -0.05 0.00 0.71 0.00 0.00 52.55 53.70 1wbq s ASP 255 Cb 0.00 -2.05 -0.05 0.00 1.01 0.00 0.00 42.92 41.83 1wbq s ASP 255 CO 0.00 -0.28 0.64 -0.76 0.21 0.00 0.00 175.17 174.98 1wbq s LEU 256 N -4.18 3.93 -0.08 1.23 1.43 -1.26 -1.25 118.68 118.50 1wbq s LEU 256 Ca 0.41 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 54.33 1wbq s LEU 256 Cb -0.10 -3.66 0.01 0.00 0.03 0.00 0.00 46.19 42.47 1wbq s LEU 256 CO 0.35 -0.32 -0.16 0.54 0.23 0.00 0.00 176.35 176.99 1wbq s VAL 257 N -2.29 1.44 -0.26 -1.59 0.11 0.28 -0.70 120.40 117.39 1wbq s VAL 257 Ca 0.45 -0.66 -0.09 0.00 -2.93 0.00 0.00 61.98 58.75 1wbq s VAL 257 Cb -0.10 -1.29 -0.04 0.00 -1.53 0.00 0.00 36.38 33.42 1wbq s VAL 257 CO 0.34 0.42 0.13 -0.22 -3.33 0.00 0.00 175.10 172.44 1wbq s LEU 258 N 0.57 3.75 -0.23 2.54 0.20 -0.27 -1.56 118.68 123.68 1wbq s LEU 258 Ca -0.16 -0.10 0.00 0.00 0.69 0.00 0.00 54.13 54.57 1wbq s LEU 258 Cb -0.16 -2.03 0.03 0.00 -0.43 0.00 0.00 46.19 43.60 1wbq s LEU 258 CO 0.05 -0.04 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.32 1wbq s ILE 259 N 1.68 2.41 -0.31 6.68 1.01 0.09 -0.55 121.20 132.23 1wbq s ILE 259 Ca 0.07 -1.16 -0.04 0.00 0.00 0.00 0.00 60.65 59.52 1wbq s ILE 259 Cb -0.16 -2.21 0.04 0.00 0.01 0.00 0.00 42.46 40.15 1wbq s ILE 259 CO 0.07 0.25 0.03 -0.62 0.00 0.00 0.00 174.94 174.68 1wbq s ASP 260 N 1.25 4.97 -0.06 3.58 -1.08 -0.48 -1.06 116.67 123.79 1wbq s ASP 260 Ca -0.01 -1.13 -0.13 0.00 -0.52 0.00 0.00 52.55 50.76 1wbq s ASP 260 Cb -0.16 -1.77 0.03 0.00 -1.46 0.00 0.00 42.92 39.55 1wbq s ASP 260 CO -0.07 -0.26 0.32 0.00 0.52 0.00 0.00 175.17 175.68 1wbq s ALA 261 N 1.33 -0.80 -0.11 3.66 0.00 -0.00 -1.32 121.76 124.51 1wbq s ALA 261 Ca -0.03 0.58 -0.15 0.00 0.00 0.00 0.00 51.96 52.36 1wbq s ALA 261 Cb -0.19 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 22.78 1wbq s ALA 261 CO 0.00 -0.22 0.40 0.20 0.00 0.00 0.00 175.76 176.14 1wbq s GLY 262 N -0.69 -0.28 0.59 0.00 0.00 -1.26 -2.19 107.32 103.49 1wbq s GLY 262 Ca -0.08 0.96 -0.05 0.00 0.00 0.00 0.00 44.72 45.55 1wbq s GLY 262 CO 0.03 0.78 0.90 0.00 0.00 0.00 0.00 173.10 174.80 1wbq s GLU 264 N -4.99 2.83 -0.17 0.00 2.12 -0.13 -0.97 118.70 117.39 1wbq s GLU 264 Ca 0.54 -0.99 0.01 0.00 0.36 0.00 0.00 54.97 54.89 1wbq s GLU 264 Cb -0.11 -3.09 0.03 0.00 0.26 0.00 0.00 34.13 31.22 1wbq s GLU 264 CO 0.44 -0.44 -0.16 -0.47 -0.54 0.00 0.00 175.26 174.10 1wbq s TYR 265 N 1.35 2.50 -1.37 5.30 5.04 0.11 -4.38 117.35 125.91 1wbq s TYR 265 Ca -0.00 -1.49 -0.11 0.00 -2.44 0.00 0.00 57.07 53.02 1wbq s TYR 265 Cb -0.17 -1.75 0.09 0.00 0.35 0.00 0.00 41.96 40.48 1wbq s TYR 265 CO -0.03 -0.75 0.57 1.63 -1.34 0.00 0.00 175.55 175.64 1wbq n LYS 266 N 4.68 -3.49 0.00 4.97 4.76 -1.26 -0.98 118.16 126.85 1wbq n LYS 266 Ca -0.18 0.46 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 1wbq n LYS 266 Cb 0.49 -5.18 0.00 0.00 -1.84 0.00 0.00 35.03 28.50 1wbq n LYS 266 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wbq n GLY 267 N -1.24 2.37 3.88 0.72 0.00 -1.26 -5.01 105.19 104.65 1wbq n GLY 267 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1wbq n GLY 267 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wbq s TYR 268 N -2.25 3.60 -0.12 1.61 1.51 -0.15 -4.37 117.35 117.17 1wbq s TYR 268 Ca 0.00 0.64 -0.15 0.00 -1.01 0.00 0.00 57.07 56.55 1wbq s TYR 268 Cb 0.00 -2.04 -0.05 0.00 -0.11 0.00 0.00 41.96 39.76 1wbq s TYR 268 CO 0.00 0.61 0.37 0.00 -1.11 0.00 0.00 175.55 175.43 1wbq s ALA 269 N -1.26 3.56 0.43 3.71 0.00 -0.02 -0.71 121.76 127.48 1wbq s ALA 269 Ca 0.27 -0.33 -0.05 0.00 0.00 0.00 0.00 51.96 51.85 1wbq s ALA 269 Cb -0.14 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 1wbq s ALA 269 CO 0.15 0.11 0.73 0.20 0.00 0.00 0.00 175.76 176.95 1wbq s GLY 270 N 0.32 1.58 -0.42 0.00 0.00 -0.14 -4.70 107.32 103.96 1wbq s GLY 270 Ca 0.21 -0.52 0.07 0.00 0.00 0.00 0.00 44.72 44.48 1wbq s GLY 270 CO 0.07 -0.37 0.62 -0.35 0.00 0.00 0.00 173.10 173.07 1wbq s ASP 271 N -3.86 -1.28 -0.03 1.64 2.15 -1.26 -4.01 116.67 110.02 1wbq s ASP 271 Ca 0.47 -0.97 0.06 0.00 0.43 0.00 0.00 52.55 52.54 1wbq s ASP 271 Cb -0.10 1.83 -0.02 0.00 -0.30 0.00 0.00 42.92 44.32 1wbq s ASP 271 CO 0.40 -0.16 -0.20 -0.63 -0.17 0.00 0.00 175.17 174.40 1wbq s ILE 272 N 1.69 2.54 -0.08 4.11 1.01 -0.93 -4.49 121.20 125.05 1wbq s ILE 272 Ca 0.18 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1wbq s ILE 272 Cb -0.04 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.47 1wbq s ILE 272 CO -0.06 0.56 -0.21 -0.89 0.00 0.00 0.00 174.94 174.33 1wbq s THR 273 N -0.69 1.83 -0.01 2.92 2.01 -1.08 -0.82 115.64 119.79 1wbq s THR 273 Ca 0.11 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.25 1wbq s THR 273 Cb -0.10 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 1wbq s THR 273 CO 0.00 0.51 -0.12 -0.13 -0.69 0.00 0.00 174.62 174.19 1wbq s ARG 274 N 0.28 1.01 -0.08 4.92 1.81 -0.22 -1.54 118.95 125.12 1wbq s ARG 274 Ca -0.14 -0.44 0.04 0.00 -1.72 0.00 0.00 55.73 53.48 1wbq s ARG 274 Cb -0.16 -0.97 -0.01 0.00 -0.45 0.00 0.00 34.95 33.35 1wbq s ARG 274 CO 0.06 0.26 -0.21 0.99 -0.68 0.00 0.00 175.30 175.72 1wbq s THR 275 N -0.26 2.43 0.12 0.02 2.01 -1.23 -0.73 115.64 118.02 1wbq s THR 275 Ca 0.04 -0.92 -0.17 0.00 0.31 0.00 0.00 61.69 60.96 1wbq s THR 275 Cb -0.05 -1.93 0.04 0.00 0.01 0.00 0.00 72.50 70.56 1wbq s THR 275 CO -0.00 0.56 0.41 0.72 -0.69 0.00 0.00 174.62 175.62 1wbq s PHE 276 N -0.09 -0.23 0.13 4.92 -0.71 -0.60 -4.97 117.98 116.43 1wbq s PHE 276 Ca -0.04 -0.07 -0.30 0.00 -1.04 0.00 0.00 56.93 55.47 1wbq s PHE 276 Cb -0.14 0.27 -0.07 0.00 -1.21 0.00 0.00 43.02 41.87 1wbq s PHE 276 CO 0.04 -0.70 1.19 -1.25 -1.34 0.00 0.00 175.22 173.16 1wbq s PRO 277 N -3.71 4.47 0.38 1.99 0.04 -1.26 -0.55 135.00 136.35 1wbq s PRO 277 Ca 0.02 1.81 0.09 0.00 0.04 0.00 0.00 61.00 62.96 1wbq s PRO 277 Cb 0.02 -3.29 0.84 0.00 0.04 0.00 0.00 34.50 32.10 1wbq s PRO 277 CO -0.11 -0.15 1.92 0.28 0.04 0.00 0.00 177.00 178.98 1wbq h VAL 278 N 4.11 0.91 -0.51 -0.36 2.07 -1.47 -1.89 116.25 119.11 1wbq h VAL 278 Ca -0.43 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1wbq h VAL 278 Cb 1.21 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1wbq h VAL 278 CO 0.78 0.12 0.00 -0.46 0.02 0.00 0.00 177.57 178.02 1wbq n ASN 279 N -4.51 2.82 0.00 0.57 0.23 -1.26 -4.18 115.26 108.93 1wbq n ASN 279 Ca 0.14 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.20 1wbq n ASN 279 Cb 0.38 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 1wbq n ASN 279 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wbq n GLY 280 N 1.34 0.95 2.64 4.83 0.00 -0.71 -5.00 105.19 109.24 1wbq n GLY 280 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1wbq n GLY 280 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wbq s LYS 281 N -0.01 0.09 0.29 1.61 2.47 -1.26 -4.52 119.74 118.41 1wbq s LYS 281 Ca 0.00 0.02 -0.30 0.00 -1.56 0.00 0.00 55.97 54.13 1wbq s LYS 281 Cb 0.00 -1.47 -0.11 0.00 -1.46 0.00 0.00 37.83 34.79 1wbq s LYS 281 CO 0.00 -0.56 1.58 -0.06 0.16 0.00 0.00 175.35 176.47 1wbq s PHE 282 N 2.12 2.77 0.88 4.03 0.08 -1.26 -4.89 117.98 121.71 1wbq s PHE 282 Ca 0.03 0.80 -0.12 0.00 0.12 0.00 0.00 56.93 57.76 1wbq s PHE 282 Cb -0.15 -4.05 0.12 0.00 -0.57 0.00 0.00 43.02 38.37 1wbq s PHE 282 CO -0.07 -3.52 1.15 0.95 -0.10 0.00 0.00 175.22 173.63 1wbq s THR 283 N -0.01 2.00 0.17 0.64 -4.23 -1.26 -4.85 115.64 108.10 1wbq s THR 283 Ca 0.63 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 61.01 1wbq s THR 283 Cb -0.47 -2.83 0.07 0.00 1.34 0.00 0.00 72.50 70.60 1wbq s THR 283 CO 0.48 0.00 1.78 -0.61 -0.54 0.00 0.00 174.62 175.73 1wbq h GLN 284 N -1.36 0.79 -0.67 3.99 4.15 -1.99 -0.31 115.11 119.72 1wbq h GLN 284 Ca -0.49 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 58.80 1wbq h GLN 284 Cb 1.33 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.84 1wbq h GLN 284 CO 0.63 0.61 0.27 0.00 -1.93 0.00 0.00 178.83 178.41 1wbq h ALA 285 N 1.14 0.86 -0.39 3.38 0.00 -1.94 -0.55 119.26 121.76 1wbq h ALA 285 Ca 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1wbq h ALA 285 Cb 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1wbq h ALA 285 CO -0.03 0.48 0.10 1.96 0.00 0.00 0.00 179.25 181.76 1wbq h GLN 286 N 0.94 0.63 -0.79 0.00 4.20 -1.83 -2.91 115.11 115.35 1wbq h GLN 286 Ca 0.22 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.80 1wbq h GLN 286 Cb 0.20 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1wbq h GLN 286 CO -0.02 0.65 0.52 0.00 -0.67 0.00 0.00 178.83 179.31 1wbq h ARG 287 N 0.49 1.03 -0.51 1.46 2.47 -0.78 0.22 114.38 118.75 1wbq h ARG 287 Ca 0.12 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.70 1wbq h ARG 287 Cb 0.30 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1wbq h ARG 287 CO 0.00 0.68 -0.01 0.93 0.56 0.00 0.00 179.97 182.13 1wbq h GLU 288 N 1.06 0.86 0.15 0.04 5.08 -0.93 -0.02 114.58 120.82 1wbq h GLU 288 Ca 0.29 -0.25 -0.29 0.00 -1.00 0.00 0.00 59.36 58.12 1wbq h GLU 288 Cb -0.11 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 29.08 1wbq h GLU 288 CO -0.07 0.87 -1.22 0.82 -1.00 0.00 0.00 179.01 178.41 1wbq h ILE 289 N 0.80 1.31 -0.48 3.13 1.08 -1.35 -3.33 117.51 118.66 1wbq h ILE 289 Ca 0.15 -2.50 0.03 0.00 -0.39 0.00 0.00 64.86 62.15 1wbq h ILE 289 Cb 0.49 2.83 -0.04 0.00 -3.07 0.00 0.00 36.82 37.03 1wbq h ILE 289 CO 0.02 0.75 0.26 0.22 -0.69 0.00 0.00 178.15 178.72 1wbq h TYR 290 N 0.15 0.49 -0.62 1.37 3.20 -0.69 -2.58 116.97 118.28 1wbq h TYR 290 Ca -0.20 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.75 1wbq h TYR 290 Cb 1.92 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 40.00 1wbq h TYR 290 CO 0.13 0.26 0.41 -0.44 -1.64 0.00 0.00 178.16 176.88 1wbq h ASP 291 N 0.52 0.56 -0.27 -2.11 3.32 -1.14 0.34 116.42 117.65 1wbq h ASP 291 Ca 0.20 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 1wbq h ASP 291 Cb 0.07 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1wbq h ASP 291 CO -0.12 0.37 -0.08 0.40 -1.72 0.00 0.00 179.24 178.09 1wbq h ILE 292 N 0.65 1.29 -0.49 0.35 2.04 -1.58 -0.57 117.51 119.20 1wbq h ILE 292 Ca 0.26 -1.12 -0.11 0.00 1.00 0.00 0.00 64.86 64.90 1wbq h ILE 292 Cb 0.22 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1wbq h ILE 292 CO -0.08 0.35 -0.12 0.58 0.00 0.00 0.00 178.15 178.88 1wbq h VAL 293 N 0.28 1.26 -0.32 1.67 2.07 -1.18 -1.98 116.25 118.06 1wbq h VAL 293 Ca 0.07 -1.24 -0.10 0.00 0.82 0.00 0.00 66.70 66.25 1wbq h VAL 293 Cb 0.57 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1wbq h VAL 293 CO 0.03 0.43 -0.17 0.25 0.02 0.00 0.00 177.57 178.13 1wbq h LEU 294 N 0.82 0.71 -0.62 2.57 5.85 -0.88 -1.62 115.31 122.15 1wbq h LEU 294 Ca 0.13 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.47 1wbq h LEU 294 Cb 0.65 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1wbq h LEU 294 CO 0.05 0.97 0.37 -0.08 -0.34 0.00 0.00 178.44 179.41 1wbq h GLU 295 N 0.45 0.71 -0.47 1.25 4.81 -1.06 0.41 114.58 120.67 1wbq h GLU 295 Ca 0.07 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1wbq h GLU 295 Cb 0.71 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 1wbq h GLU 295 CO 0.05 0.47 0.17 0.77 -0.73 0.00 0.00 179.01 179.74 1wbq h SER 296 N 0.73 0.17 -0.07 1.04 0.02 -1.15 0.12 113.55 114.41 1wbq h SER 296 Ca 0.25 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1wbq h SER 296 Cb 0.04 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1wbq h SER 296 CO -0.11 0.13 0.01 0.25 -1.14 0.00 0.00 176.83 175.96 1wbq h LEU 297 N 0.34 0.12 -0.70 5.07 5.85 -0.89 -1.82 115.31 123.28 1wbq h LEU 297 Ca 0.22 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1wbq h LEU 297 Cb 0.23 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1wbq h LEU 297 CO -0.23 0.37 0.22 -0.33 -0.34 0.00 0.00 178.44 178.14 1wbq h GLU 298 N -0.15 1.08 -0.42 1.25 5.08 -0.71 0.17 114.58 120.88 1wbq h GLU 298 Ca 0.02 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 1wbq h GLU 298 Cb 0.31 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1wbq h GLU 298 CO 0.00 0.93 -0.02 1.15 -1.00 0.00 0.00 179.01 180.07 1wbq h THR 299 N 1.02 1.26 -0.99 1.13 2.02 -0.80 -2.73 112.91 113.82 1wbq h THR 299 Ca 0.23 -1.07 0.01 0.00 0.77 0.00 0.00 66.41 66.35 1wbq h THR 299 Cb 0.29 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 1wbq h THR 299 CO -0.01 0.36 0.66 0.28 0.37 0.00 0.00 175.52 177.18 1wbq h SER 300 N 0.59 1.14 0.02 4.18 0.02 -0.95 -0.79 113.55 117.76 1wbq h SER 300 Ca 0.12 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1wbq h SER 300 Cb 0.52 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1wbq h SER 300 CO 0.03 0.82 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.37 1wbq h LEU 301 N 1.34 0.17 -0.27 5.07 3.38 -0.82 0.13 115.31 124.31 1wbq h LEU 301 Ca 0.37 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 58.10 1wbq h LEU 301 Cb -0.14 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1wbq h LEU 301 CO -0.08 0.30 -0.84 0.03 0.09 0.00 0.00 178.44 177.94 1wbq h ARG 302 N 0.18 0.46 -0.09 1.13 3.08 -1.09 -3.35 114.38 114.69 1wbq h ARG 302 Ca 0.04 -0.42 -0.24 0.00 0.07 0.00 0.00 59.98 59.43 1wbq h ARG 302 Cb 0.29 0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.46 1wbq h ARG 302 CO 0.02 1.07 -0.88 -0.07 -1.07 0.00 0.00 179.97 179.03 1wbq h LEU 303 N 0.29 0.90 -9.24 3.04 3.38 -0.51 -3.45 115.31 109.72 1wbq h LEU 303 Ca -0.06 -0.64 -0.55 0.00 0.09 0.00 0.00 57.88 56.72 1wbq h LEU 303 Cb 1.45 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1wbq h LEU 303 CO 0.15 1.44 1.15 -0.31 0.09 0.00 0.00 178.44 180.96 1wbq s TYR 304 N -3.57 1.79 0.12 1.13 2.02 -0.03 -4.91 117.35 113.91 1wbq s TYR 304 Ca -0.10 0.11 -0.26 0.00 -0.37 0.00 0.00 57.07 56.45 1wbq s TYR 304 Cb 0.08 -4.00 0.07 0.00 -0.40 0.00 0.00 41.96 37.71 1wbq s TYR 304 CO 0.91 -4.13 1.00 -0.98 -1.57 0.00 0.00 175.55 170.78 1wbq s ARG 305 N 4.35 1.06 0.33 -0.62 1.70 -1.26 -3.82 118.95 120.69 1wbq s ARG 305 Ca 0.78 -0.58 -0.29 0.00 -0.47 0.00 0.00 55.73 55.18 1wbq s ARG 305 Cb -0.34 0.37 -0.12 0.00 -0.57 0.00 0.00 34.95 34.29 1wbq s ARG 305 CO 0.32 -0.48 1.43 -2.30 -1.08 0.00 0.00 175.30 173.19 1wbq n PRO 306 N -0.46 2.41 0.00 3.89 -0.02 -1.26 -3.27 135.00 136.29 1wbq n PRO 306 Ca -0.06 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1wbq n PRO 306 Cb 0.61 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1wbq n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wbq n GLY 307 N 1.10 3.27 0.31 -1.23 0.00 -0.75 -4.96 105.19 102.93 1wbq n GLY 307 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 1wbq n GLY 307 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wbq n THR 308 N -1.70 0.00 -4.03 2.61 5.66 -1.20 -4.78 114.28 110.84 1wbq n THR 308 Ca 0.00 -0.14 -0.10 0.00 -3.05 0.00 0.00 64.05 60.76 1wbq n THR 308 Cb 0.00 -1.11 -0.08 0.00 -1.55 0.00 0.00 70.33 67.59 1wbq n THR 308 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1wbq s SER 309 N -1.30 0.09 0.22 1.09 1.04 -1.26 -0.98 113.70 112.59 1wbq s SER 309 Ca 0.05 -1.00 -0.08 0.00 0.48 0.00 0.00 55.95 55.40 1wbq s SER 309 Cb -0.00 0.42 0.19 0.00 0.10 0.00 0.00 66.02 66.72 1wbq s SER 309 CO 0.03 -0.89 1.86 0.40 0.98 0.00 0.00 173.24 175.62 1wbq h ILE 310 N 2.58 1.24 -0.24 -1.02 2.04 -1.77 -1.72 117.51 118.62 1wbq h ILE 310 Ca -0.32 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.03 1wbq h ILE 310 Cb 1.23 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1wbq h ILE 310 CO 0.49 0.26 0.00 0.25 0.00 0.00 0.00 178.15 179.15 1wbq h LEU 311 N 1.16 -0.09 -0.31 1.44 5.85 -1.44 -0.12 115.31 121.80 1wbq h LEU 311 Ca 0.30 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 59.04 1wbq h LEU 311 Cb -0.02 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1wbq h LEU 311 CO -0.05 -0.01 0.05 -0.08 -0.34 0.00 0.00 178.44 178.00 1wbq h GLU 312 N 0.08 0.51 -0.62 1.25 4.81 -1.79 -2.28 114.58 116.54 1wbq h GLU 312 Ca 0.11 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1wbq h GLU 312 Cb 0.15 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1wbq h GLU 312 CO -0.19 0.61 0.06 0.28 -0.73 0.00 0.00 179.01 179.03 1wbq h VAL 313 N 0.33 1.26 -0.98 0.32 2.07 -1.23 -2.65 116.25 115.36 1wbq h VAL 313 Ca 0.09 -1.06 0.11 0.00 0.82 0.00 0.00 66.70 66.66 1wbq h VAL 313 Cb 0.34 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 1wbq h VAL 313 CO 0.01 0.39 0.61 0.74 0.02 0.00 0.00 177.57 179.34 1wbq h THR 314 N 0.96 0.93 -0.90 2.57 2.02 -0.84 -2.08 112.91 115.57 1wbq h THR 314 Ca 0.18 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 67.05 1wbq h THR 314 Cb 0.47 -0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 66.69 1wbq h THR 314 CO 0.02 0.18 0.59 1.23 0.37 0.00 0.00 175.52 177.91 1wbq h GLY 315 N 0.98 1.29 1.07 2.16 0.00 -1.04 -0.23 103.07 107.29 1wbq h GLY 315 Ca 0.48 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 1wbq h GLY 315 CO -0.26 0.42 -0.03 0.83 0.00 0.00 0.00 176.54 177.50 1wbq h GLU 316 N 1.17 1.02 -0.67 4.80 4.39 -1.40 -2.75 114.58 121.13 1wbq h GLU 316 Ca 0.34 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1wbq h GLU 316 Cb -0.07 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 1wbq h GLU 316 CO -0.09 1.03 0.36 0.28 -1.16 0.00 0.00 179.01 179.42 1wbq h VAL 317 N 0.90 1.21 -0.73 3.13 2.07 -0.73 -1.58 116.25 120.52 1wbq h VAL 317 Ca 0.16 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1wbq h VAL 317 Cb 0.59 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1wbq h VAL 317 CO 0.04 0.24 0.47 0.58 0.02 0.00 0.00 177.57 178.91 1wbq h VAL 318 N 0.93 1.13 -0.45 2.57 2.07 -1.02 0.16 116.25 121.64 1wbq h VAL 318 Ca 0.24 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1wbq h VAL 318 Cb 0.05 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 1wbq h VAL 318 CO -0.04 0.17 0.23 -0.09 0.02 0.00 0.00 177.57 177.87 1wbq h ARG 319 N 0.93 0.63 -0.64 1.57 2.43 -1.17 0.78 114.38 118.91 1wbq h ARG 319 Ca 0.29 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.42 1wbq h ARG 319 Cb -0.03 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.36 1wbq h ARG 319 CO -0.09 0.52 0.37 0.82 -1.51 0.00 0.00 179.97 180.07 1wbq h ILE 320 N 0.58 1.02 0.06 1.20 2.04 -0.85 -1.19 117.51 120.38 1wbq h ILE 320 Ca 0.16 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1wbq h ILE 320 Cb 0.08 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1wbq h ILE 320 CO -0.02 0.13 -0.03 0.24 0.00 0.00 0.00 178.15 178.47 1wbq h MET 321 N 0.71 -0.08 -0.53 2.37 2.86 -0.59 -1.50 114.93 118.16 1wbq h MET 321 Ca 0.27 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.91 1wbq h MET 321 Cb 0.10 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1wbq h MET 321 CO -0.14 0.24 0.30 0.28 1.06 0.00 0.00 176.91 178.66 1wbq h VAL 322 N -0.42 1.17 -0.38 -2.22 2.07 -0.81 0.54 116.25 116.22 1wbq h VAL 322 Ca -0.01 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1wbq h VAL 322 Cb 0.37 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1wbq h VAL 322 CO 0.01 0.18 0.25 0.28 0.02 0.00 0.00 177.57 178.31 1wbq h SER 323 N 0.72 0.42 -0.52 0.57 0.02 -1.22 -0.84 113.55 112.70 1wbq h SER 323 Ca 0.19 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1wbq h SER 323 Cb 0.03 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1wbq h SER 323 CO -0.03 0.31 0.24 1.23 -1.14 0.00 0.00 176.83 177.44 1wbq h GLY 324 N 0.50 0.80 1.43 -3.77 0.00 -0.92 -1.97 103.07 99.14 1wbq h GLY 324 Ca 0.14 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1wbq h GLY 324 CO -0.03 0.38 -0.24 1.41 0.00 0.00 0.00 176.54 178.06 1wbq h LEU 325 N 0.69 0.67 -0.39 3.11 3.38 -0.69 -2.62 115.31 119.46 1wbq h LEU 325 Ca 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1wbq h LEU 325 Cb 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1wbq h LEU 325 CO -0.02 0.89 0.19 0.58 0.09 0.00 0.00 178.44 180.17 1wbq h VAL 326 N 0.58 1.17 -0.16 1.22 2.07 -1.01 -0.10 116.25 120.02 1wbq h VAL 326 Ca 0.08 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1wbq h VAL 326 Cb 0.72 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1wbq h VAL 326 CO 0.06 0.18 0.10 0.11 0.02 0.00 0.00 177.57 178.03 1wbq h LYS 327 N 0.49 0.21 -0.00 1.57 1.57 -1.09 -1.84 116.57 117.48 1wbq h LYS 327 Ca 0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1wbq h LYS 327 Cb 0.11 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1wbq h LYS 327 CO -0.02 0.15 -0.21 1.28 -0.57 0.00 0.00 179.45 180.08 1wbq n LEU 328 N -4.50 0.47 -0.10 2.94 4.77 -1.01 -4.93 117.00 114.64 1wbq n LEU 328 Ca -0.01 0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 56.02 1wbq n LEU 328 Cb 0.09 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1wbq n LEU 328 CO 0.35 0.10 -0.01 0.61 -1.33 0.00 0.00 177.39 177.10 1wbq n GLY 329 N 1.39 0.51 0.12 -0.72 0.00 -0.69 -4.92 105.19 100.87 1wbq n GLY 329 Ca 0.10 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 1wbq n GLY 329 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wbq h ILE 330 N 0.00 1.46 -2.86 -0.61 2.04 -1.26 -3.43 117.51 112.85 1wbq h ILE 330 Ca -0.03 -2.90 -0.62 0.00 1.00 0.00 0.00 64.86 62.32 1wbq h ILE 330 Cb 0.13 2.84 -0.14 0.00 -0.74 0.00 0.00 36.82 38.90 1wbq h ILE 330 CO 0.04 0.85 -0.74 -0.76 0.00 0.00 0.00 178.15 177.54 1wbq s LEU 331 N -7.32 2.84 -0.05 1.44 1.43 -1.01 -4.92 118.68 111.09 1wbq s LEU 331 Ca -0.05 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.37 1wbq s LEU 331 Cb 0.07 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.81 1wbq s LEU 331 CO 0.89 0.09 -0.06 -0.54 0.23 0.00 0.00 176.35 176.95 1wbq s LYS 332 N -2.97 1.04 0.00 1.70 1.02 -1.26 -4.21 119.74 115.06 1wbq s LYS 332 Ca 0.25 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.06 1wbq s LYS 332 Cb -0.08 -0.98 0.00 0.00 -0.52 0.00 0.00 37.83 36.25 1wbq s LYS 332 CO 0.15 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 1wbq n GLY 333 N 4.00 0.84 3.72 -3.33 0.00 -1.26 -5.02 105.19 104.15 1wbq n GLY 333 Ca -0.24 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 1wbq n GLY 333 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wbq s ASP 334 N -4.00 7.40 0.15 1.61 2.15 -1.26 -4.97 116.67 117.75 1wbq s ASP 334 Ca 0.00 1.68 -0.17 0.00 0.43 0.00 0.00 52.55 54.50 1wbq s ASP 334 Cb 0.00 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 40.08 1wbq s ASP 334 CO 0.00 -0.16 1.78 0.58 -0.17 0.00 0.00 175.17 177.20 1wbq h VAL 335 N 4.43 1.00 -0.65 1.11 2.07 -1.97 0.54 116.25 122.79 1wbq h VAL 335 Ca -0.42 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 1wbq h VAL 335 Cb 1.21 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1wbq h VAL 335 CO 0.73 0.07 0.22 0.44 0.02 0.00 0.00 177.57 179.05 1wbq h ASP 336 N 0.37 0.93 -0.36 0.57 3.32 -1.98 0.12 116.42 119.39 1wbq h ASP 336 Ca 0.14 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1wbq h ASP 336 Cb 0.04 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1wbq h ASP 336 CO -0.09 0.88 0.01 -0.33 -1.72 0.00 0.00 179.24 178.00 1wbq h GLU 337 N 0.93 0.62 -0.55 3.56 5.08 -1.90 0.12 114.58 122.44 1wbq h GLU 337 Ca 0.21 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1wbq h GLU 337 Cb 0.27 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1wbq h GLU 337 CO -0.01 0.73 0.32 -0.07 -1.00 0.00 0.00 179.01 178.98 1wbq h LEU 338 N 0.44 0.51 -0.31 1.33 3.38 -0.67 -0.92 115.31 119.07 1wbq h LEU 338 Ca 0.10 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wbq h LEU 338 Cb 0.44 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1wbq h LEU 338 CO 0.02 0.35 0.19 0.40 0.09 0.00 0.00 178.44 179.49 1wbq h ILE 339 N 0.63 1.10 -0.76 1.22 2.04 -0.58 -0.46 117.51 120.69 1wbq h ILE 339 Ca 0.23 -0.22 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1wbq h ILE 339 Cb 0.06 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 1wbq h ILE 339 CO -0.12 0.10 0.50 0.00 0.00 0.00 0.00 178.15 178.63 1wbq h ALA 340 N 1.08 1.81 -0.49 1.87 0.00 -0.26 -0.60 119.26 122.67 1wbq h ALA 340 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wbq h ALA 340 Cb -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1wbq h ALA 340 CO -0.02 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1wbq n GLN 341 N -4.50 4.20 -4.16 0.00 10.64 -0.40 -4.95 117.38 118.22 1wbq n GLN 341 Ca 0.13 -2.63 -0.29 0.00 -1.83 0.00 0.00 57.00 52.37 1wbq n GLN 341 Cb 0.34 -2.12 -0.06 0.00 -0.86 0.00 0.00 30.24 27.54 1wbq n GLN 341 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1wbq n ASN 342 N 0.57 -0.05 0.16 2.61 3.02 -0.23 -4.85 115.26 116.48 1wbq n ASN 342 Ca 0.23 -1.14 0.13 0.00 -0.03 0.00 0.00 54.58 53.77 1wbq n ASN 342 Cb 1.02 -2.34 0.55 0.00 -0.61 0.00 0.00 39.78 38.41 1wbq n ASN 342 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wbq h ALA 343 N 0.82 1.00 0.00 5.41 0.00 -1.33 -2.07 119.26 123.10 1wbq h ALA 343 Ca -0.64 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1wbq h ALA 343 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1wbq h ALA 343 CO 0.69 0.00 0.00 1.12 0.00 0.00 0.00 179.25 181.06 1wbq h HIS 344 N 0.00 0.00 -0.95 0.00 2.07 -1.89 -3.39 115.15 110.99 1wbq h HIS 344 Ca 0.00 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.61 1wbq h HIS 344 Cb 0.31 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.22 1wbq h HIS 344 CO 0.00 0.00 0.60 0.00 -3.07 0.00 0.00 177.93 175.46 1wbq h ARG 345 N 0.00 1.00 -0.04 5.12 2.47 -1.57 0.17 114.38 121.55 1wbq h ARG 345 Ca 0.00 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.67 1wbq h ARG 345 Cb 0.48 -0.23 -0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1wbq h ARG 345 CO 0.00 0.66 0.16 -1.35 0.56 0.00 0.00 179.97 180.00 1wbq h PRO 346 N 1.03 0.00 0.00 0.04 0.11 -1.83 -3.10 132.00 128.25 1wbq h PRO 346 Ca 0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.55 1wbq h PRO 346 Cb 0.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 1wbq h PRO 346 CO -0.21 0.00 -1.59 1.19 -0.21 0.00 0.00 178.00 177.18 1wbq n PHE 347 N -3.18 0.00 -3.42 0.65 3.72 0.51 -4.86 117.46 110.89 1wbq n PHE 347 Ca -0.02 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.19 1wbq n PHE 347 Cb 0.23 -0.29 -0.10 0.00 -0.94 0.00 0.00 39.48 38.38 1wbq n PHE 347 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1wbq s PHE 348 N -2.89 -0.22 -1.33 1.38 5.36 -0.56 -0.75 117.98 118.97 1wbq s PHE 348 Ca -0.05 -0.54 0.11 0.00 -0.96 0.00 0.00 56.93 55.49 1wbq s PHE 348 Cb 0.08 -0.55 0.08 0.00 -0.34 0.00 0.00 43.02 42.29 1wbq s PHE 348 CO 0.53 -0.91 0.83 0.00 -1.46 0.00 0.00 175.22 174.21 1wbq n MET 349 N 4.95 0.61 -4.34 10.12 0.00 -1.24 -4.35 117.12 122.88 1wbq n MET 349 Ca 0.02 -1.11 -0.28 0.00 0.00 0.00 0.00 57.70 56.32 1wbq n MET 349 Cb 0.45 -1.20 -0.07 0.00 0.00 0.00 0.00 33.22 32.40 1wbq n MET 349 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 1wbq s HIS 350 N -0.94 2.21 0.61 3.17 -3.43 -1.26 -5.13 115.29 110.53 1wbq s HIS 350 Ca 0.12 -0.75 -0.16 0.00 -0.80 0.00 0.00 55.06 53.48 1wbq s HIS 350 Cb 0.09 -1.83 -0.03 0.00 -1.43 0.00 0.00 32.58 29.38 1wbq s HIS 350 CO 0.14 0.12 1.09 0.20 -2.00 0.00 0.00 174.74 174.29 1wbq s GLY 351 N -3.93 2.22 0.19 -1.38 0.00 -1.26 -4.97 107.32 98.18 1wbq s GLY 351 Ca 0.29 0.52 0.05 0.00 0.00 0.00 0.00 44.72 45.58 1wbq s GLY 351 CO 0.16 0.85 1.42 -2.00 0.00 0.00 0.00 173.10 173.54 1wbq h LEU 352 N 0.43 0.17 -7.52 0.66 5.85 -1.94 -3.46 115.31 109.50 1wbq h LEU 352 Ca -0.47 -0.13 -0.16 0.00 0.84 0.00 0.00 57.88 57.96 1wbq h LEU 352 Cb 1.24 -0.05 -0.24 0.00 0.37 0.00 0.00 40.66 41.97 1wbq h LEU 352 CO 0.56 0.91 -0.42 -0.44 -0.34 0.00 0.00 178.44 178.72 1wbq s SER 353 N -6.88 -0.21 0.12 1.25 0.01 -1.26 -0.54 113.70 106.19 1wbq s SER 353 Ca -0.02 0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.64 1wbq s SER 353 Cb 0.11 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.74 1wbq s SER 353 CO 0.81 -0.16 -0.10 -1.38 0.41 0.00 0.00 173.24 172.82 1wbq s HIS 354 N -0.23 1.15 0.77 2.43 -3.43 -1.26 -4.92 115.29 109.79 1wbq s HIS 354 Ca -0.03 -0.71 -0.14 0.00 -0.80 0.00 0.00 55.06 53.37 1wbq s HIS 354 Cb -0.03 -0.61 0.06 0.00 -1.43 0.00 0.00 32.58 30.57 1wbq s HIS 354 CO 0.01 0.03 1.20 -1.58 -2.00 0.00 0.00 174.74 172.40 1wbq s TRP 355 N -2.86 1.94 -0.01 0.38 0.23 -1.26 -0.93 118.94 116.43 1wbq s TRP 355 Ca 0.10 1.64 0.01 0.00 -2.03 0.00 0.00 56.10 55.82 1wbq s TRP 355 Cb -0.00 -3.47 0.01 0.00 0.03 0.00 0.00 33.47 30.04 1wbq s TRP 355 CO -0.00 -2.71 -0.02 -1.17 0.96 0.00 0.00 176.95 174.01 1wbq s LEU 356 N -5.45 1.71 0.00 2.99 2.96 -0.46 -1.48 118.68 118.94 1wbq s LEU 356 Ca 0.73 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.59 1wbq s LEU 356 Cb -0.28 -0.19 0.00 0.00 0.50 0.00 0.00 46.19 46.21 1wbq s LEU 356 CO 0.48 -0.01 0.00 0.61 -1.32 0.00 0.00 176.35 176.11 1wbq n GLY 357 N 3.40 0.46 0.28 7.98 0.00 -1.26 -4.62 105.19 111.43 1wbq n GLY 357 Ca -0.18 0.44 0.16 0.00 0.00 0.00 0.00 46.02 46.44 1wbq n GLY 357 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wbq h LEU 358 N 0.00 0.00 -8.87 0.99 3.38 -1.94 -0.01 115.31 108.86 1wbq h LEU 358 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1wbq h LEU 358 Cb 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.52 1wbq h LEU 358 CO 0.00 0.07 -0.86 -1.81 0.09 0.00 0.00 178.44 175.93 1wbq s ASP 359 N -5.80 3.38 0.12 -0.43 1.01 -1.26 -4.70 116.67 108.99 1wbq s ASP 359 Ca -0.02 -0.63 -0.17 0.00 0.71 0.00 0.00 52.55 52.44 1wbq s ASP 359 Cb 0.11 -0.33 -0.03 0.00 1.01 0.00 0.00 42.92 43.69 1wbq s ASP 359 CO 0.54 0.22 1.67 1.62 0.21 0.00 0.00 175.17 179.43 1wbq h VAL 360 N 3.99 1.18 -3.31 -1.27 3.04 -1.85 -3.03 116.25 115.00 1wbq h VAL 360 Ca -0.49 -0.55 -0.76 0.00 -1.01 0.00 0.00 66.70 63.90 1wbq h VAL 360 Cb 1.16 0.91 -0.23 0.00 -2.01 0.00 0.00 31.29 31.11 1wbq h VAL 360 CO 0.43 0.19 0.39 -1.00 -1.01 0.00 0.00 177.57 176.57 1wbq s HIS 361 N -5.58 3.58 0.65 3.17 3.76 -1.26 -4.35 115.29 115.27 1wbq s HIS 361 Ca -0.13 -1.85 -0.11 0.00 -0.15 0.00 0.00 55.06 52.82 1wbq s HIS 361 Cb 0.09 -3.98 -0.02 0.00 1.11 0.00 0.00 32.58 29.78 1wbq s HIS 361 CO 0.74 -1.16 1.04 0.34 -0.85 0.00 0.00 174.74 174.85 1wbq s ASP 362 N 2.60 5.87 0.86 1.40 2.15 -0.55 -4.99 116.67 124.00 1wbq s ASP 362 Ca 0.24 1.49 -0.11 0.00 0.43 0.00 0.00 52.55 54.60 1wbq s ASP 362 Cb -0.08 -2.46 0.11 0.00 -0.30 0.00 0.00 42.92 40.18 1wbq s ASP 362 CO -0.09 -1.11 1.09 0.68 -0.17 0.00 0.00 175.17 175.57 1wbq s VAL 363 N -3.13 2.85 0.00 1.11 -7.23 -1.26 -4.63 120.40 108.11 1wbq s VAL 363 Ca 0.56 0.28 0.00 0.00 -1.81 0.00 0.00 61.98 61.01 1wbq s VAL 363 Cb -0.12 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.09 1wbq s VAL 363 CO 0.54 -0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 1wbq n GLY 364 N -1.04 3.97 3.69 2.32 0.00 -1.26 -4.53 105.19 108.34 1wbq n GLY 364 Ca 0.08 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1wbq n GLY 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wbq s VAL 365 N -1.23 3.59 -0.19 1.61 1.01 -1.26 -4.93 120.40 119.01 1wbq s VAL 365 Ca 0.00 1.00 0.18 0.00 0.00 0.00 0.00 61.98 63.15 1wbq s VAL 365 Cb 0.00 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1wbq s VAL 365 CO 0.00 -0.00 1.18 1.88 0.00 0.00 0.00 175.10 178.16 1wbq h TYR 366 N 7.88 0.00 -0.27 5.22 0.05 -1.98 -3.48 116.97 124.39 1wbq h TYR 366 Ca -0.39 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.42 1wbq h TYR 366 Cb 1.18 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.91 1wbq h TYR 366 CO 0.75 0.40 -0.10 0.41 -1.05 0.00 0.00 178.16 178.58 1wbq n GLY 367 N 1.27 -2.54 3.67 3.88 0.00 -1.26 -1.60 105.19 108.61 1wbq n GLY 367 Ca -0.02 -1.43 -0.47 0.00 0.00 0.00 0.00 46.02 44.10 1wbq n GLY 367 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wbq n GLN 368 N -2.28 2.18 -2.05 1.61 7.27 -1.26 -1.30 117.38 121.54 1wbq n GLN 368 Ca -0.01 0.79 -0.18 0.00 0.07 0.00 0.00 57.00 57.67 1wbq n GLN 368 Cb 0.05 -2.59 -0.04 0.00 2.41 0.00 0.00 30.24 30.08 1wbq n GLN 368 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1wbq n ASP 369 N 4.64 -5.10 -3.56 1.69 8.00 -1.26 -2.06 116.55 118.91 1wbq n ASP 369 Ca 0.19 0.21 -0.22 0.00 0.71 0.00 0.00 54.79 55.69 1wbq n ASP 369 Cb 0.29 -4.38 0.08 0.00 -0.02 0.00 0.00 41.12 37.09 1wbq n ASP 369 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wbq n ARG 370 N -2.65 -7.27 0.00 -1.24 1.74 -0.42 -4.25 116.66 102.57 1wbq n ARG 370 Ca -0.20 0.82 0.13 0.00 -0.77 0.00 0.00 57.85 57.83 1wbq n ARG 370 Cb 0.64 -5.84 0.40 0.00 -1.02 0.00 0.00 32.46 26.64 1wbq n ARG 370 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1wbq n SER 371 N -3.05 1.55 -4.72 0.55 3.41 -0.87 -1.49 113.62 108.99 1wbq n SER 371 Ca -0.11 -1.37 -0.42 0.00 -0.26 0.00 0.00 58.87 56.71 1wbq n SER 371 Cb 0.60 0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.61 1wbq n SER 371 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1wbq n ARG 372 N 0.04 2.45 -2.24 4.33 0.63 -0.62 -4.82 116.66 116.42 1wbq n ARG 372 Ca 0.16 0.87 -0.42 0.00 -0.92 0.00 0.00 57.85 57.54 1wbq n ARG 372 Cb 0.39 -2.58 -0.03 0.00 0.45 0.00 0.00 32.46 30.68 1wbq n ARG 372 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1wbq s ILE 373 N -0.35 3.35 0.31 5.15 -1.09 -1.26 -4.48 121.20 122.83 1wbq s ILE 373 Ca 0.62 1.06 -0.27 0.00 -2.23 0.00 0.00 60.65 59.83 1wbq s ILE 373 Cb -0.54 -3.68 -0.10 0.00 -1.58 0.00 0.00 42.46 36.56 1wbq s ILE 373 CO 0.53 0.13 0.96 -0.76 -1.23 0.00 0.00 174.94 174.57 1wbq s LEU 374 N 0.30 4.40 0.09 2.97 1.43 -0.15 -4.88 118.68 122.82 1wbq s LEU 374 Ca 0.58 1.89 0.02 0.00 -1.03 0.00 0.00 54.13 55.59 1wbq s LEU 374 Cb -0.35 -3.93 -0.04 0.00 0.03 0.00 0.00 46.19 41.89 1wbq s LEU 374 CO 0.35 -0.05 -0.07 -1.61 0.23 0.00 0.00 176.35 175.19 1wbq s GLU 375 N -1.89 0.78 0.29 1.70 2.02 -1.26 -1.81 118.70 118.53 1wbq s GLU 375 Ca 0.49 -1.20 -0.29 0.00 0.02 0.00 0.00 54.97 53.99 1wbq s GLU 375 Cb -0.21 -0.29 -0.13 0.00 0.10 0.00 0.00 34.13 33.60 1wbq s GLU 375 CO 0.26 0.01 1.16 -2.30 0.02 0.00 0.00 175.26 174.42 1wbq n PRO 376 N 0.35 1.69 0.00 0.39 -0.02 -1.26 -2.81 135.00 133.33 1wbq n PRO 376 Ca -0.15 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1wbq n PRO 376 Cb 0.59 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1wbq n PRO 376 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wbq n GLY 377 N 1.21 2.65 3.76 -1.23 0.00 -0.30 -4.90 105.19 106.39 1wbq n GLY 377 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1wbq n GLY 377 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wbq s MET 378 N -0.93 4.50 -0.08 1.61 -1.94 -1.12 -1.07 119.30 120.27 1wbq s MET 378 Ca 0.00 2.00 0.04 0.00 -1.71 0.00 0.00 55.69 56.02 1wbq s MET 378 Cb 0.00 -3.13 0.00 0.00 2.01 0.00 0.00 34.83 33.71 1wbq s MET 378 CO 0.00 0.02 -0.20 0.08 -0.01 0.00 0.00 175.02 174.91 1wbq s VAL 379 N -1.14 1.73 0.19 -6.03 1.01 -1.26 -0.73 120.40 114.17 1wbq s VAL 379 Ca 0.47 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 1wbq s VAL 379 Cb -0.36 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.53 1wbq s VAL 379 CO 0.47 0.49 0.44 -1.48 0.00 0.00 0.00 175.10 175.01 1wbq s LEU 380 N 0.31 0.39 0.37 3.92 2.34 -0.48 -1.36 118.68 124.18 1wbq s LEU 380 Ca -0.14 -0.63 0.01 0.00 0.06 0.00 0.00 54.13 53.43 1wbq s LEU 380 Cb -0.16 1.81 -0.02 0.00 -0.56 0.00 0.00 46.19 47.26 1wbq s LEU 380 CO 0.06 -1.00 0.58 0.42 -1.06 0.00 0.00 176.35 175.35 1wbq s THR 381 N -3.91 4.75 -0.16 5.48 -4.23 -0.11 -0.97 115.64 116.50 1wbq s THR 381 Ca 0.12 -0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 60.11 1wbq s THR 381 Cb 0.00 -3.73 0.05 0.00 1.34 0.00 0.00 72.50 70.16 1wbq s THR 381 CO -0.01 -0.48 0.01 -0.69 -0.54 0.00 0.00 174.62 172.91 1wbq s VAL 382 N -2.38 0.57 -0.42 2.29 1.01 0.09 -4.07 120.40 117.50 1wbq s VAL 382 Ca 0.42 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 62.10 1wbq s VAL 382 Cb -0.10 -0.94 0.27 0.00 0.00 0.00 0.00 36.38 35.61 1wbq s VAL 382 CO 0.36 -0.03 0.68 -1.84 0.00 0.00 0.00 175.10 174.27 1wbq n GLU 383 N 5.05 0.79 -1.58 2.72 0.28 0.30 -1.48 120.64 126.71 1wbq n GLU 383 Ca -0.09 -2.80 -0.35 0.00 -0.16 0.00 0.00 57.16 53.77 1wbq n GLU 383 Cb 0.48 -1.33 0.08 0.00 1.43 0.00 0.00 31.44 32.09 1wbq n GLU 383 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1wbq s PRO 384 N -0.81 2.35 0.11 3.44 0.04 -1.24 -4.77 135.00 134.12 1wbq s PRO 384 Ca 0.34 1.81 -0.17 0.00 0.04 0.00 0.00 61.00 63.02 1wbq s PRO 384 Cb 0.22 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.94 1wbq s PRO 384 CO -0.14 -1.68 0.41 0.20 0.04 0.00 0.00 177.00 175.84 1wbq s GLY 385 N -1.88 -0.29 -0.04 0.56 0.00 -1.26 -2.73 107.32 101.69 1wbq s GLY 385 Ca 0.76 0.05 0.01 0.00 0.00 0.00 0.00 44.72 45.54 1wbq s GLY 385 CO 0.42 -0.21 -0.05 1.08 0.00 0.00 0.00 173.10 174.34 1wbq s LEU 386 N -2.64 1.39 -0.20 0.66 1.43 0.40 -4.53 118.68 115.19 1wbq s LEU 386 Ca 0.01 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1wbq s LEU 386 Cb 0.01 -0.45 0.06 0.00 0.03 0.00 0.00 46.19 45.84 1wbq s LEU 386 CO -0.10 -0.04 -0.01 -0.31 0.23 0.00 0.00 176.35 176.12 1wbq s TYR 387 N 0.81 1.63 -0.29 0.29 1.51 0.07 -0.90 117.35 120.47 1wbq s TYR 387 Ca -0.11 -1.22 -0.07 0.00 -1.01 0.00 0.00 57.07 54.66 1wbq s TYR 387 Cb -0.14 -1.27 0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1wbq s TYR 387 CO 0.00 -0.67 0.09 0.42 -1.11 0.00 0.00 175.55 174.28 1wbq s ILE 388 N 1.65 4.10 0.57 2.71 -1.09 0.71 -4.36 121.20 125.49 1wbq s ILE 388 Ca -0.03 -0.59 -0.20 0.00 -2.23 0.00 0.00 60.65 57.60 1wbq s ILE 388 Cb -0.17 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 1wbq s ILE 388 CO -0.07 0.11 1.26 0.00 -1.23 0.00 0.00 174.94 175.01 1wbq s ALA 389 N 1.53 2.67 0.56 9.38 0.00 -1.26 -0.82 121.76 133.82 1wbq s ALA 389 Ca 0.03 1.13 0.28 0.00 0.00 0.00 0.00 51.96 53.40 1wbq s ALA 389 Cb -0.17 -3.49 1.47 0.00 0.00 0.00 0.00 23.12 20.93 1wbq s ALA 389 CO 0.03 -1.22 1.97 -1.35 0.00 0.00 0.00 175.76 175.19 1wbq h PRO 390 N 1.19 0.00 -0.35 0.00 0.11 -1.91 -1.51 132.00 129.53 1wbq h PRO 390 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1wbq h PRO 390 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1wbq h PRO 390 CO 0.56 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 1wbq n ASP 391 N -4.08 3.66 -4.77 -2.05 5.75 -1.26 -4.63 116.55 109.17 1wbq n ASP 391 Ca 0.09 -2.53 -0.40 0.00 -0.01 0.00 0.00 54.79 51.95 1wbq n ASP 391 Cb 0.62 -0.43 -0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1wbq n ASP 391 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wbq s ALA 392 N -1.95 3.28 -1.33 2.12 0.00 -0.57 -4.89 121.76 118.41 1wbq s ALA 392 Ca 0.36 1.25 -0.15 0.00 0.00 0.00 0.00 51.96 53.43 1wbq s ALA 392 Cb 0.25 -3.49 0.09 0.00 0.00 0.00 0.00 23.12 19.97 1wbq s ALA 392 CO 0.14 -0.83 1.86 0.39 0.00 0.00 0.00 175.76 177.31 1wbq n GLU 393 N 0.16 3.19 -4.17 0.00 1.02 -1.26 -4.87 120.64 114.71 1wbq n GLU 393 Ca 0.03 -3.21 -0.10 0.00 -0.02 0.00 0.00 57.16 53.86 1wbq n GLU 393 Cb 0.43 -3.26 -0.10 0.00 -0.02 0.00 0.00 31.44 28.49 1wbq n GLU 393 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1wbq s VAL 394 N 2.83 0.07 0.25 2.62 -7.23 -1.26 -5.05 120.40 112.62 1wbq s VAL 394 Ca 0.48 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.41 1wbq s VAL 394 Cb 0.07 -2.19 -0.14 0.00 0.56 0.00 0.00 36.38 34.67 1wbq s VAL 394 CO 0.00 -0.31 1.15 -2.65 -0.31 0.00 0.00 175.10 172.98 1wbq n PRO 395 N -0.15 1.48 -0.35 4.82 -0.02 -1.26 -4.83 135.00 134.70 1wbq n PRO 395 Ca -0.03 0.52 0.17 0.00 -2.02 0.00 0.00 63.50 62.14 1wbq n PRO 395 Cb 0.64 -2.00 0.37 0.00 -0.02 0.00 0.00 33.50 32.50 1wbq n PRO 395 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1wbq h GLU 396 N 2.85 0.59 0.00 -0.52 4.22 -1.99 -1.93 114.58 117.80 1wbq h GLU 396 Ca -0.42 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.98 1wbq h GLU 396 Cb 1.32 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1wbq h GLU 396 CO 0.66 0.39 0.00 0.00 -2.18 0.00 0.00 179.01 177.89 1wbq n GLN 397 N -4.87 0.18 -0.00 1.92 0.00 -1.26 -2.05 117.38 111.30 1wbq n GLN 397 Ca 0.26 0.50 0.10 0.00 0.00 0.00 0.00 57.00 57.86 1wbq n GLN 397 Cb 0.71 -1.91 -0.10 0.00 0.00 0.00 0.00 30.24 28.94 1wbq n GLN 397 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1wbq n TYR 398 N -2.25 0.00 -2.28 2.61 4.01 -0.73 -4.79 117.16 113.73 1wbq n TYR 398 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 1wbq n TYR 398 Cb 0.16 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.14 1wbq n TYR 398 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1wbq s ARG 399 N -3.00 4.44 -0.30 -0.72 0.52 -0.87 -3.27 118.95 115.75 1wbq s ARG 399 Ca 0.08 2.00 0.00 0.00 -0.52 0.00 0.00 55.73 57.29 1wbq s ARG 399 Cb 0.16 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.44 1wbq s ARG 399 CO 0.86 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 176.46 1wbq n GLY 400 N 1.91 0.48 3.57 -3.53 0.00 0.00 -4.81 105.19 102.82 1wbq n GLY 400 Ca 0.04 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 1wbq n GLY 400 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wbq s ILE 401 N -2.13 4.67 -0.15 -0.61 1.01 -1.00 -3.87 121.20 119.13 1wbq s ILE 401 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1wbq s ILE 401 Cb 0.00 -3.14 0.03 0.00 0.01 0.00 0.00 42.46 39.36 1wbq s ILE 401 CO 0.00 0.40 -0.11 -0.83 0.00 0.00 0.00 174.94 174.40 1wbq s GLY 402 N 0.88 1.07 -0.07 6.18 0.00 -1.26 -0.21 107.32 113.91 1wbq s GLY 402 Ca 0.04 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.90 1wbq s GLY 402 CO 0.03 0.65 -0.07 -0.42 0.00 0.00 0.00 173.10 173.29 1wbq s ILE 403 N 1.53 0.83 0.01 0.90 1.01 -0.08 -4.70 121.20 120.70 1wbq s ILE 403 Ca 0.04 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.46 1wbq s ILE 403 Cb -0.14 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.49 1wbq s ILE 403 CO -0.10 0.31 -0.06 -0.60 0.00 0.00 0.00 174.94 174.49 1wbq s ARG 404 N 1.19 0.48 -0.09 2.79 3.52 -1.26 -0.46 118.95 125.12 1wbq s ARG 404 Ca -0.06 -0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 1wbq s ARG 404 Cb -0.14 -0.40 0.02 0.00 -1.56 0.00 0.00 34.95 32.87 1wbq s ARG 404 CO -0.02 0.10 -0.08 0.42 -0.81 0.00 0.00 175.30 174.92 1wbq s ILE 405 N -0.49 0.95 -0.05 4.11 1.01 -1.10 -3.47 121.20 122.15 1wbq s ILE 405 Ca -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1wbq s ILE 405 Cb -0.04 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.49 1wbq s ILE 405 CO -0.00 0.34 -0.04 -0.70 0.00 0.00 0.00 174.94 174.54 1wbq s GLU 406 N 1.38 0.88 0.29 2.79 2.12 -0.59 -3.65 118.70 121.92 1wbq s GLU 406 Ca -0.02 -0.10 0.11 0.00 0.36 0.00 0.00 54.97 55.32 1wbq s GLU 406 Cb -0.14 -0.93 -0.05 0.00 0.26 0.00 0.00 34.13 33.28 1wbq s GLU 406 CO -0.04 -0.11 -0.11 -0.51 -0.54 0.00 0.00 175.26 173.95 1wbq s ASP 407 N 1.08 3.95 -0.12 -1.70 1.01 -0.55 -2.62 116.67 117.72 1wbq s ASP 407 Ca -0.08 -0.93 -0.00 0.00 0.71 0.00 0.00 52.55 52.24 1wbq s ASP 407 Cb -0.14 -0.49 -0.02 0.00 1.01 0.00 0.00 42.92 43.28 1wbq s ASP 407 CO -0.01 -0.03 -0.12 -1.81 0.21 0.00 0.00 175.17 173.41 1wbq s ASP 408 N -3.59 4.13 0.14 0.27 1.01 -1.26 -0.73 116.67 116.63 1wbq s ASP 408 Ca 0.31 -0.28 0.05 0.00 0.71 0.00 0.00 52.55 53.35 1wbq s ASP 408 Cb -0.04 -1.53 -0.04 0.00 1.01 0.00 0.00 42.92 42.32 1wbq s ASP 408 CO 0.17 0.19 -0.12 0.27 0.21 0.00 0.00 175.17 175.89 1wbq s ILE 409 N 0.18 1.27 -0.08 0.77 -4.36 -0.14 -0.45 121.20 118.39 1wbq s ILE 409 Ca -0.07 -1.89 0.04 0.00 -0.26 0.00 0.00 60.65 58.47 1wbq s ILE 409 Cb -0.15 -1.69 -0.01 0.00 1.25 0.00 0.00 42.46 41.86 1wbq s ILE 409 CO 0.05 -0.58 -0.22 0.54 0.24 0.00 0.00 174.94 174.97 1wbq s VAL 410 N -2.72 2.30 0.11 8.37 0.11 -0.38 -1.38 120.40 126.80 1wbq s VAL 410 Ca 0.13 -0.96 -0.30 0.00 -2.93 0.00 0.00 61.98 57.92 1wbq s VAL 410 Cb -0.01 -1.87 -0.06 0.00 -1.53 0.00 0.00 36.38 32.90 1wbq s VAL 410 CO 0.02 0.56 1.16 -0.63 -3.33 0.00 0.00 175.10 172.88 1wbq s ILE 411 N 0.02 3.97 0.49 7.04 -1.09 0.09 -0.62 121.20 131.09 1wbq s ILE 411 Ca -0.08 1.52 0.03 0.00 -2.23 0.00 0.00 60.65 59.89 1wbq s ILE 411 Cb -0.15 -3.97 -0.02 0.00 -1.58 0.00 0.00 42.46 36.74 1wbq s ILE 411 CO 0.05 0.18 0.08 0.42 -1.23 0.00 0.00 174.94 174.44 1wbq s THR 412 N 0.52 1.48 0.28 2.92 -4.23 -0.25 -1.15 115.64 115.22 1wbq s THR 412 Ca 0.55 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1wbq s THR 412 Cb -0.29 -2.39 0.28 0.00 1.34 0.00 0.00 72.50 71.44 1wbq s THR 412 CO 0.32 0.00 1.84 -0.33 -0.54 0.00 0.00 174.62 175.91 1wbq h GLU 413 N 1.35 0.99 0.00 3.99 4.39 -1.96 -3.18 114.58 120.15 1wbq h GLU 413 Ca -0.43 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1wbq h GLU 413 Cb 1.29 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1wbq h GLU 413 CO 0.73 0.65 -1.29 0.25 -1.16 0.00 0.00 179.01 178.19 1wbq n THR 414 N -4.61 0.00 0.00 1.13 -2.24 -1.26 -4.76 114.28 102.54 1wbq n THR 414 Ca 0.18 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1wbq n THR 414 Cb 0.33 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1wbq n THR 414 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wbq n GLY 415 N 1.42 -0.92 3.28 3.38 0.00 -1.20 -4.95 105.19 106.21 1wbq n GLY 415 Ca 0.01 0.49 -0.10 0.00 0.00 0.00 0.00 46.02 46.42 1wbq n GLY 415 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wbq s ASN 416 N -4.00 -0.14 -0.14 1.61 2.20 -1.25 -1.09 114.94 112.13 1wbq s ASN 416 Ca 0.00 -0.39 -0.01 0.00 -0.94 0.00 0.00 52.86 51.53 1wbq s ASN 416 Cb 0.00 0.43 -0.01 0.00 -2.00 0.00 0.00 41.25 39.67 1wbq s ASN 416 CO 0.00 -0.80 -0.12 -0.70 -2.94 0.00 0.00 177.10 172.53 1wbq s GLU 417 N -3.73 3.36 -0.38 3.55 2.12 0.21 -4.89 118.70 118.94 1wbq s GLU 417 Ca 0.03 -0.69 -0.23 0.00 0.36 0.00 0.00 54.97 54.44 1wbq s GLU 417 Cb 0.02 -2.67 0.01 0.00 0.26 0.00 0.00 34.13 31.75 1wbq s GLU 417 CO -0.11 0.13 0.78 1.21 -0.54 0.00 0.00 175.26 176.73 1wbq s ASN 418 N 0.56 6.53 0.00 -1.70 3.84 -1.26 -1.25 114.94 121.66 1wbq s ASN 418 Ca -0.08 0.27 0.28 0.00 0.21 0.00 0.00 52.86 53.55 1wbq s ASN 418 Cb -0.16 -2.39 1.13 0.00 -0.55 0.00 0.00 41.25 39.28 1wbq s ASN 418 CO 0.03 -0.77 1.85 0.18 -2.79 0.00 0.00 177.10 175.61 1wbq n LEU 419 N 6.48 0.09 -0.17 3.21 4.77 0.41 -4.08 117.00 127.71 1wbq n LEU 419 Ca 0.03 0.40 0.04 0.00 -0.03 0.00 0.00 56.01 56.45 1wbq n LEU 419 Cb 0.48 -0.45 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1wbq n LEU 419 CO 0.55 0.02 0.43 0.35 -1.33 0.00 0.00 177.39 177.40 1wbq n THR 420 N -1.48 0.95 0.77 -5.08 -2.24 -1.25 -4.00 114.28 101.96 1wbq n THR 420 Ca 0.07 -1.11 0.10 0.00 -2.27 0.00 0.00 64.05 60.84 1wbq n THR 420 Cb 0.33 0.26 0.46 0.00 -2.10 0.00 0.00 70.33 69.29 1wbq n THR 420 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wbq n ALA 421 N -0.68 1.98 0.81 6.98 0.00 -1.26 -3.10 120.51 125.24 1wbq n ALA 421 Ca 0.07 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1wbq n ALA 421 Cb 0.57 -1.34 0.47 0.00 0.00 0.00 0.00 19.45 19.15 1wbq n ALA 421 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wbq n SER 422 N -1.46 0.00 -4.65 0.00 3.41 -1.26 -4.49 113.62 105.17 1wbq n SER 422 Ca 0.06 0.28 -0.35 0.00 -0.26 0.00 0.00 58.87 58.61 1wbq n SER 422 Cb 0.23 -0.41 -0.09 0.00 -0.26 0.00 0.00 64.21 63.68 1wbq n SER 422 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wbq s VAL 423 N -2.82 4.81 0.68 -3.33 0.11 -1.18 -4.90 120.40 113.77 1wbq s VAL 423 Ca 0.14 -0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 59.01 1wbq s VAL 423 Cb 0.13 -3.16 0.01 0.00 -1.53 0.00 0.00 36.38 31.84 1wbq s VAL 423 CO 0.34 0.48 1.16 0.68 -3.33 0.00 0.00 175.10 174.43 1wbq s VAL 424 N 0.23 2.79 0.00 2.04 -7.23 -1.26 -4.98 120.40 111.99 1wbq s VAL 424 Ca 0.04 0.39 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 1wbq s VAL 424 Cb -0.12 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 33.88 1wbq s VAL 424 CO 0.00 -0.21 0.00 2.29 -0.31 0.00 0.00 175.10 176.87 1wbq n LYS 425 N -2.48 4.75 -1.96 4.82 2.85 -1.26 -4.90 118.16 119.98 1wbq n LYS 425 Ca 0.12 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.96 1wbq n LYS 425 Cb 0.51 -0.55 -0.02 0.00 -0.65 0.00 0.00 35.03 34.32 1wbq n LYS 425 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1wbq s LYS 426 N -0.32 4.23 0.30 -1.58 1.02 -1.26 -4.87 119.74 117.27 1wbq s LYS 426 Ca 0.00 2.36 0.01 0.00 0.02 0.00 0.00 55.97 58.36 1wbq s LYS 426 Cb 0.00 -3.10 0.54 0.00 -0.52 0.00 0.00 37.83 34.75 1wbq s LYS 426 CO 0.00 -0.49 1.90 -1.00 -0.92 0.00 0.00 175.35 174.85 1wbq h PRO 427 N 5.28 0.99 -0.19 -1.68 0.13 -1.99 -1.07 132.00 133.46 1wbq h PRO 427 Ca -0.46 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.53 1wbq h PRO 427 Cb 1.22 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1wbq h PRO 427 CO 0.80 0.66 -0.25 1.05 -0.23 0.00 0.00 178.00 180.02 1wbq h GLU 428 N 1.02 0.36 -0.03 0.86 9.09 -2.00 -1.51 114.58 122.37 1wbq h GLU 428 Ca 0.40 -0.13 -0.19 0.00 0.05 0.00 0.00 59.36 59.50 1wbq h GLU 428 Cb 0.24 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.31 1wbq h GLU 428 CO -0.16 0.59 -0.79 0.93 0.05 0.00 0.00 179.01 179.63 1wbq h GLU 429 N 0.32 0.28 0.10 1.06 5.08 -1.62 -2.04 114.58 117.75 1wbq h GLU 429 Ca 0.05 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1wbq h GLU 429 Cb 0.62 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1wbq h GLU 429 CO 0.04 0.94 -0.05 0.82 -1.00 0.00 0.00 179.01 179.76 1wbq h ILE 430 N 0.17 1.01 -0.38 3.13 2.04 -0.94 -1.03 117.51 121.52 1wbq h ILE 430 Ca -0.04 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1wbq h ILE 430 Cb 1.38 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 1wbq h ILE 430 CO 0.13 0.09 0.22 -0.33 0.00 0.00 0.00 178.15 178.26 1wbq h GLU 431 N -0.30 0.43 -0.77 2.37 5.08 -1.30 -1.55 114.58 118.53 1wbq h GLU 431 Ca -0.01 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1wbq h GLU 431 Cb 0.25 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1wbq h GLU 431 CO 0.02 0.28 0.37 0.00 -1.00 0.00 0.00 179.01 178.68 1wbq h ALA 432 N 1.17 1.19 -0.40 3.43 0.00 -1.35 0.36 119.26 123.66 1wbq h ALA 432 Ca 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wbq h ALA 432 Cb 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1wbq h ALA 432 CO -0.08 0.62 0.25 1.25 0.00 0.00 0.00 179.25 181.29 1wbq h LEU 433 N 1.10 0.48 -0.22 0.00 5.85 -0.76 -1.82 115.31 119.94 1wbq h LEU 433 Ca 0.27 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 1wbq h LEU 433 Cb 0.12 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1wbq h LEU 433 CO -0.03 0.38 -0.12 0.24 -0.34 0.00 0.00 178.44 178.56 1wbq h MET 434 N 0.53 0.47 -0.56 1.25 2.86 -0.92 -2.44 114.93 116.13 1wbq h MET 434 Ca 0.15 -0.21 0.08 0.00 -2.06 0.00 0.00 59.70 57.65 1wbq h MET 434 Cb -0.02 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.56 1wbq h MET 434 CO -0.03 0.76 0.21 0.28 1.06 0.00 0.00 176.91 179.19 1wbq h VAL 435 N 0.18 0.79 -0.75 -2.22 2.07 -0.90 -1.16 116.25 114.26 1wbq h VAL 435 Ca 0.05 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1wbq h VAL 435 Cb 0.63 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1wbq h VAL 435 CO 0.04 0.07 0.29 0.00 0.02 0.00 0.00 177.57 177.99 1wbq h ALA 436 N 1.38 1.10 -0.12 1.67 0.00 -1.25 -2.36 119.26 119.68 1wbq h ALA 436 Ca 0.28 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1wbq h ALA 436 Cb 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1wbq h ALA 436 CO -0.28 0.64 -0.46 0.00 0.00 0.00 0.00 179.25 179.15 1wbq h ALA 437 N 1.23 1.00 0.00 0.00 0.00 -1.00 -3.04 119.26 117.45 1wbq h ALA 437 Ca 0.25 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1wbq h ALA 437 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wbq h ALA 437 CO -0.02 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1wbq h ARG 438 N 0.24 0.00 0.00 0.00 3.08 -0.83 -3.50 114.38 113.37 1wbq h ARG 438 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1wbq h ARG 438 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1wbq h ARG 438 CO 0.07 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.60