#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bwt s GLU 2 N 0.00 2.15 -0.23 1.43 -1.05 -1.26 -4.88 118.70 114.85 2bwt s GLU 2 Ca 0.00 -1.44 -0.10 0.00 -0.15 0.00 0.00 54.97 53.28 2bwt s GLU 2 Cb 0.00 0.60 -0.05 0.00 -0.44 0.00 0.00 34.13 34.24 2bwt s GLU 2 CO 0.00 -0.99 0.14 0.42 0.95 0.00 0.00 175.26 175.78 2bwt s ILE 3 N -2.57 5.20 0.84 1.83 -1.09 -1.26 -4.90 121.20 119.26 2bwt s ILE 3 Ca 0.17 0.12 -0.12 0.00 -2.23 0.00 0.00 60.65 58.59 2bwt s ILE 3 Cb -0.04 -3.41 0.10 0.00 -1.58 0.00 0.00 42.46 37.52 2bwt s ILE 3 CO 0.12 0.37 1.19 -0.94 -1.23 0.00 0.00 174.94 174.45 2bwt s SER 4 N 0.95 4.21 0.14 3.58 1.04 -1.26 -4.96 113.70 117.40 2bwt s SER 4 Ca 0.07 0.76 -0.17 0.00 0.48 0.00 0.00 55.95 57.09 2bwt s SER 4 Cb -0.13 -1.21 -0.01 0.00 0.10 0.00 0.00 66.02 64.76 2bwt s SER 4 CO 0.03 -2.09 1.72 0.03 0.98 0.00 0.00 173.24 173.92 2bwt h ARG 5 N -1.18 0.53 -0.79 4.02 3.08 -1.99 -3.00 114.38 115.04 2bwt h ARG 5 Ca -0.46 -0.07 0.16 0.00 0.07 0.00 0.00 59.98 59.67 2bwt h ARG 5 Cb 1.32 -0.10 -0.10 0.00 0.08 0.00 0.00 29.97 31.17 2bwt h ARG 5 CO 0.63 0.46 0.33 1.96 -1.07 0.00 0.00 179.97 182.28 2bwt h GLN 6 N 0.47 0.45 -0.30 0.04 7.50 -1.99 -0.40 115.11 120.89 2bwt h GLN 6 Ca 0.13 -0.03 -0.03 0.00 0.50 0.00 0.00 58.65 59.22 2bwt h GLN 6 Cb 0.09 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.51 2bwt h GLN 6 CO -0.02 0.30 0.07 1.49 -1.50 0.00 0.00 178.83 179.17 2bwt h GLU 7 N 0.46 0.48 -0.92 1.46 4.81 -1.91 -0.11 114.58 118.86 2bwt h GLU 7 Ca 0.45 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 59.61 2bwt h GLU 7 Cb 0.70 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 2bwt h GLU 7 CO -0.42 0.56 0.60 0.74 -0.73 0.00 0.00 179.01 179.76 2bwt h PHE 8 N 0.32 1.08 0.25 0.92 0.04 -1.20 -1.25 116.94 117.10 2bwt h PHE 8 Ca 0.09 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 2bwt h PHE 8 Cb 0.30 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.09 2bwt h PHE 8 CO 0.01 0.58 -0.12 0.37 -0.60 0.00 0.00 178.31 178.56 2bwt h GLN 9 N 1.08 -0.32 -0.72 1.51 5.75 -0.75 -2.66 115.11 119.00 2bwt h GLN 9 Ca 0.39 0.02 0.11 0.00 -0.15 0.00 0.00 58.65 59.02 2bwt h GLN 9 Cb 0.15 0.07 -0.08 0.00 1.07 0.00 0.00 27.48 28.69 2bwt h GLN 9 CO -0.14 -0.13 0.31 0.00 -2.65 0.00 0.00 178.83 176.22 2bwt h ARG 10 N -0.45 0.49 -0.33 1.69 3.08 -0.58 -1.39 114.38 116.89 2bwt h ARG 10 Ca -0.03 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.00 2bwt h ARG 10 Cb 0.34 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2bwt h ARG 10 CO 0.06 0.32 0.18 0.00 -1.07 0.00 0.00 179.97 179.46 2bwt h ARG 11 N 0.51 0.35 -0.75 0.04 3.08 -1.17 0.30 114.38 116.73 2bwt h ARG 11 Ca 0.37 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.41 2bwt h ARG 11 Cb 0.49 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 2bwt h ARG 11 CO -0.33 0.23 0.49 0.00 -1.07 0.00 0.00 179.97 179.29 2bwt h ARG 12 N 0.36 0.97 -0.34 0.04 3.08 -1.01 -1.32 114.38 116.16 2bwt h ARG 12 Ca 0.13 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 2bwt h ARG 12 Cb 0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 2bwt h ARG 12 CO -0.08 0.64 -0.21 1.96 -1.07 0.00 0.00 179.97 181.21 2bwt h GLN 13 N 1.00 0.66 -0.89 0.04 1.08 -0.65 -0.37 115.11 115.98 2bwt h GLN 13 Ca 0.28 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2bwt h GLN 13 Cb -0.09 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.25 2bwt h GLN 13 CO -0.07 0.82 0.48 0.00 -0.95 0.00 0.00 178.83 179.12 2bwt h ALA 14 N 1.18 1.18 0.29 3.87 0.00 0.13 0.21 119.26 126.13 2bwt h ALA 14 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2bwt h ALA 14 Cb 0.68 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2bwt h ALA 14 CO 0.05 0.66 -0.14 1.25 0.00 0.00 0.00 179.25 181.07 2bwt h LEU 15 N 1.24 -0.33 -0.65 0.00 5.85 -0.88 -3.20 115.31 117.35 2bwt h LEU 15 Ca 0.31 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.94 2bwt h LEU 15 Cb 0.03 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2bwt h LEU 15 CO -0.05 -0.01 0.33 0.58 -0.34 0.00 0.00 178.44 178.95 2bwt h VAL 16 N -0.67 0.90 -1.14 1.05 2.07 -0.94 -1.09 116.25 116.44 2bwt h VAL 16 Ca -0.04 -0.20 0.32 0.00 0.82 0.00 0.00 66.70 67.60 2bwt h VAL 16 Cb 0.47 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 30.41 2bwt h VAL 16 CO 0.06 0.11 0.78 -0.08 0.02 0.00 0.00 177.57 178.46 2bwt h GLU 17 N 0.60 0.19 0.00 1.57 4.57 -0.60 0.39 114.58 121.30 2bwt h GLU 17 Ca 0.30 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 2bwt h GLU 17 Cb 0.26 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2bwt h GLU 17 CO -0.22 0.12 -0.86 1.04 -1.18 0.00 0.00 179.01 177.91 2bwt n GLN 18 N -4.44 0.16 -1.95 1.92 6.02 -0.45 -4.94 117.38 113.70 2bwt n GLN 18 Ca 0.27 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.94 2bwt n GLN 18 Cb 1.10 -1.56 0.02 0.00 1.02 0.00 0.00 30.24 30.83 2bwt n GLN 18 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2bwt s MET 19 N -3.11 3.23 0.60 -1.09 -1.94 0.13 -5.03 119.30 112.08 2bwt s MET 19 Ca 0.06 1.16 -0.15 0.00 -1.71 0.00 0.00 55.69 55.06 2bwt s MET 19 Cb 0.15 -2.02 -0.03 0.00 2.01 0.00 0.00 34.83 34.94 2bwt s MET 19 CO 0.78 -0.88 1.05 -0.65 -0.01 0.00 0.00 175.02 175.31 2bwt s GLN 20 N -4.26 3.34 0.36 2.03 -0.21 -1.26 -5.00 119.66 114.65 2bwt s GLN 20 Ca 0.63 1.12 -0.28 0.00 0.02 0.00 0.00 55.36 56.85 2bwt s GLN 20 Cb -0.16 -2.04 -0.10 0.00 1.00 0.00 0.00 33.01 31.71 2bwt s GLN 20 CO 0.40 -0.79 1.37 -1.25 -2.12 0.00 0.00 175.29 172.90 2bwt s PRO 21 N -4.26 4.19 -0.14 2.91 0.04 -1.26 -3.55 135.00 132.94 2bwt s PRO 21 Ca 0.62 2.33 -0.00 0.00 0.04 0.00 0.00 61.00 63.98 2bwt s PRO 21 Cb -0.15 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2bwt s PRO 21 CO 0.40 -0.37 0.12 0.41 0.04 0.00 0.00 177.00 177.59 2bwt n GLY 22 N 0.66 0.52 3.15 0.56 0.00 0.45 -4.84 105.19 105.69 2bwt n GLY 22 Ca 0.01 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 2bwt n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bwt s SER 23 N -3.10 0.46 -0.02 1.61 1.04 -0.67 -0.88 113.70 112.14 2bwt s SER 23 Ca 0.02 -1.16 0.01 0.00 0.48 0.00 0.00 55.95 55.30 2bwt s SER 23 Cb -0.01 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.38 2bwt s SER 23 CO 0.08 -0.68 -0.01 0.00 0.98 0.00 0.00 173.24 173.61 2bwt s ALA 24 N -3.97 0.34 -0.19 5.32 0.00 -0.84 -0.21 121.76 122.22 2bwt s ALA 24 Ca 0.20 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 2bwt s ALA 24 Cb 0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2bwt s ALA 24 CO -0.01 -0.03 0.08 0.00 0.00 0.00 0.00 175.76 175.81 2bwt s ALA 25 N 0.74 3.50 -0.28 0.00 0.00 0.13 -0.33 121.76 125.52 2bwt s ALA 25 Ca -0.08 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 2bwt s ALA 25 Cb -0.11 -1.99 0.04 0.00 0.00 0.00 0.00 23.12 21.06 2bwt s ALA 25 CO -0.01 0.19 -0.03 -0.51 0.00 0.00 0.00 175.76 175.40 2bwt s LEU 26 N 0.33 3.61 -0.23 0.00 1.43 -0.25 -1.10 118.68 122.47 2bwt s LEU 26 Ca 0.05 -1.14 -0.01 0.00 -1.03 0.00 0.00 54.13 52.00 2bwt s LEU 26 Cb -0.12 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.44 2bwt s LEU 26 CO -0.01 -0.21 -0.10 -0.63 0.23 0.00 0.00 176.35 175.63 2bwt s ILE 27 N 1.26 2.62 0.10 -0.59 1.01 -0.27 -4.50 121.20 120.83 2bwt s ILE 27 Ca -0.04 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.59 2bwt s ILE 27 Cb -0.19 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 2bwt s ILE 27 CO -0.03 0.29 0.27 -0.36 0.00 0.00 0.00 174.94 175.11 2bwt s PHE 28 N 1.31 3.50 0.72 3.97 0.40 -1.26 -0.68 117.98 125.93 2bwt s PHE 28 Ca 0.01 0.31 -0.10 0.00 -0.60 0.00 0.00 56.93 56.55 2bwt s PHE 28 Cb -0.16 -1.81 0.04 0.00 0.51 0.00 0.00 43.02 41.60 2bwt s PHE 28 CO -0.07 0.53 1.08 0.00 0.70 0.00 0.00 175.22 177.47 2bwt s ALA 29 N -1.59 2.92 0.36 5.36 0.00 -0.22 -4.61 121.76 123.98 2bwt s ALA 29 Ca 0.37 -0.57 -0.24 0.00 0.00 0.00 0.00 51.96 51.52 2bwt s ALA 29 Cb -0.12 -2.89 -0.10 0.00 0.00 0.00 0.00 23.12 20.01 2bwt s ALA 29 CO 0.27 -1.27 0.96 0.00 0.00 0.00 0.00 175.76 175.72 2bwt s ALA 30 N -3.35 3.15 0.39 0.00 0.00 -1.26 -4.83 121.76 115.85 2bwt s ALA 30 Ca 0.59 0.51 -0.23 0.00 0.00 0.00 0.00 51.96 52.83 2bwt s ALA 30 Cb -0.11 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 2bwt s ALA 30 CO 0.49 0.11 0.98 -1.25 0.00 0.00 0.00 175.76 176.09 2bwt s PRO 31 N -2.42 4.30 0.97 0.00 0.04 -1.26 -4.42 135.00 132.22 2bwt s PRO 31 Ca 0.54 1.30 -0.14 0.00 0.04 0.00 0.00 61.00 62.74 2bwt s PRO 31 Cb -0.16 -2.47 0.02 0.00 0.04 0.00 0.00 34.50 31.93 2bwt s PRO 31 CO 0.21 0.02 0.23 0.39 0.04 0.00 0.00 177.00 177.89 2bwt n GLU 32 N -0.13 -0.37 -3.72 4.56 1.02 -1.26 -4.95 120.64 115.79 2bwt n GLU 32 Ca 0.05 -0.07 -0.14 0.00 -0.02 0.00 0.00 57.16 56.98 2bwt n GLU 32 Cb 0.52 -1.75 -0.14 0.00 -0.02 0.00 0.00 31.44 30.05 2bwt n GLU 32 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2bwt s VAL 33 N -2.34 -0.14 0.31 2.62 1.01 -1.26 -5.09 120.40 115.51 2bwt s VAL 33 Ca 0.55 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.47 2bwt s VAL 33 Cb -0.20 -0.30 -0.10 0.00 0.00 0.00 0.00 36.38 35.78 2bwt s VAL 33 CO 0.69 0.09 1.15 -0.89 0.00 0.00 0.00 175.10 176.14 2bwt s THR 34 N 1.59 3.30 -0.23 3.92 2.01 -1.26 -1.09 115.64 123.88 2bwt s THR 34 Ca -0.05 1.28 -0.01 0.00 0.31 0.00 0.00 61.69 63.21 2bwt s THR 34 Cb -0.11 -3.80 -0.14 0.00 0.01 0.00 0.00 72.50 68.46 2bwt s THR 34 CO -0.07 0.28 -0.22 -1.14 -0.69 0.00 0.00 174.62 172.78 2bwt n ARG 35 N 0.95 0.55 -3.64 4.92 0.63 -0.54 -4.67 116.66 114.87 2bwt n ARG 35 Ca -0.00 0.15 -0.02 0.00 -0.92 0.00 0.00 57.85 57.06 2bwt n ARG 35 Cb 0.44 -1.43 -0.06 0.00 0.45 0.00 0.00 32.46 31.86 2bwt n ARG 35 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2bwt s SER 36 N -6.37 -0.45 1.75 6.15 0.15 -1.09 -5.04 113.70 108.81 2bwt s SER 36 Ca -0.31 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2bwt s SER 36 Cb 0.09 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.59 2bwt s SER 36 CO 0.50 -0.11 0.00 0.00 1.20 0.00 0.00 173.24 174.82 2bwt n ALA 37 N 3.66 0.00 1.24 5.45 0.00 -1.26 -1.84 120.51 127.76 2bwt n ALA 37 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.39 2bwt n ALA 37 Cb 0.57 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.32 2bwt n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2bwt n ASP 38 N 5.59 1.84 -4.79 0.00 5.75 -1.26 -4.91 116.55 118.77 2bwt n ASP 38 Ca 0.00 -1.48 -0.39 0.00 -0.01 0.00 0.00 54.79 52.91 2bwt n ASP 38 Cb 0.00 0.11 -0.06 0.00 -1.03 0.00 0.00 41.12 40.14 2bwt n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2bwt s SER 39 N -2.20 7.27 0.25 -1.12 1.04 -0.77 -5.00 113.70 113.17 2bwt s SER 39 Ca 0.29 1.50 0.10 0.00 0.48 0.00 0.00 55.95 58.32 2bwt s SER 39 Cb 0.20 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 63.82 2bwt s SER 39 CO 0.41 0.22 -0.06 -1.61 0.98 0.00 0.00 173.24 173.17 2bwt s GLU 40 N -1.06 2.12 0.68 4.02 2.02 -1.26 -1.47 118.70 123.75 2bwt s GLU 40 Ca 0.34 -1.45 -0.13 0.00 0.02 0.00 0.00 54.97 53.74 2bwt s GLU 40 Cb -0.22 -2.08 0.01 0.00 0.10 0.00 0.00 34.13 31.94 2bwt s GLU 40 CO 0.24 0.37 1.08 0.71 0.02 0.00 0.00 175.26 177.69 2bwt s TYR 41 N -2.21 2.77 0.25 1.61 2.02 -0.25 -4.71 117.35 116.83 2bwt s TYR 41 Ca 0.29 1.52 -0.31 0.00 -0.37 0.00 0.00 57.07 58.21 2bwt s TYR 41 Cb -0.07 -3.05 -0.14 0.00 -0.40 0.00 0.00 41.96 38.31 2bwt s TYR 41 CO 0.18 -1.52 1.29 -2.30 -1.57 0.00 0.00 175.55 171.63 2bwt n PRO 42 N -2.77 1.80 -2.14 -1.71 -0.02 -1.26 -4.76 135.00 124.14 2bwt n PRO 42 Ca 0.09 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 2bwt n PRO 42 Cb 0.53 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 2bwt n PRO 42 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2bwt s TYR 43 N -0.37 3.13 -0.25 6.00 5.04 -1.26 -5.01 117.35 124.63 2bwt s TYR 43 Ca 0.66 1.27 -0.00 0.00 -2.44 0.00 0.00 57.07 56.56 2bwt s TYR 43 Cb -0.68 -3.67 0.07 0.00 0.35 0.00 0.00 41.96 38.03 2bwt s TYR 43 CO 0.53 -2.00 0.01 0.50 -1.34 0.00 0.00 175.55 173.26 2bwt s ARG 44 N -0.90 1.21 0.48 4.97 6.06 -1.26 -5.13 118.95 124.38 2bwt s ARG 44 Ca 0.54 -0.97 -0.24 0.00 -2.50 0.00 0.00 55.73 52.56 2bwt s ARG 44 Cb -0.39 -2.42 -0.07 0.00 0.06 0.00 0.00 34.95 32.13 2bwt s ARG 44 CO 0.45 -0.72 1.38 -1.14 -2.50 0.00 0.00 175.30 172.77 2bwt s GLN 45 N 1.50 3.53 0.17 5.12 2.00 -1.26 -4.78 119.66 125.93 2bwt s GLN 45 Ca 0.00 2.29 -0.33 0.00 -2.00 0.00 0.00 55.36 55.32 2bwt s GLN 45 Cb -0.18 -2.52 -0.15 0.00 0.80 0.00 0.00 33.01 30.97 2bwt s GLN 45 CO -0.11 -0.90 1.38 -1.71 -0.50 0.00 0.00 175.29 173.45 2bwt n ASN 46 N -0.46 2.26 -0.07 6.67 2.85 -1.26 -4.82 115.26 120.42 2bwt n ASN 46 Ca 0.07 1.12 -0.08 0.00 -0.11 0.00 0.00 54.58 55.58 2bwt n ASN 46 Cb 0.43 -1.32 -0.01 0.00 1.24 0.00 0.00 39.78 40.12 2bwt n ASN 46 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2bwt h SER 47 N 4.52 0.17 -0.63 1.20 0.02 -1.94 0.21 113.55 117.10 2bwt h SER 47 Ca -0.45 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.45 2bwt h SER 47 Cb 1.30 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.80 2bwt h SER 47 CO 0.78 0.13 0.13 0.44 -1.14 0.00 0.00 176.83 177.18 2bwt h ASP 48 N 0.26 0.99 -0.36 3.07 3.32 -1.95 0.24 116.42 121.99 2bwt h ASP 48 Ca 0.11 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2bwt h ASP 48 Cb 0.05 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2bwt h ASP 48 CO -0.09 0.97 0.11 0.15 -1.72 0.00 0.00 179.24 178.66 2bwt h PHE 49 N 0.99 0.59 -0.33 4.55 3.57 -1.74 -3.09 116.94 121.47 2bwt h PHE 49 Ca 0.20 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2bwt h PHE 49 Cb 0.38 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 2bwt h PHE 49 CO 0.03 0.57 0.22 2.35 -2.23 0.00 0.00 178.31 179.24 2bwt h TRP 50 N 0.43 0.41 -1.08 0.41 2.91 -0.16 -2.46 115.95 116.42 2bwt h TRP 50 Ca 0.12 0.01 0.31 0.00 1.13 0.00 0.00 58.89 60.46 2bwt h TRP 50 Cb 0.26 -0.14 -0.12 0.00 -0.51 0.00 0.00 29.16 28.65 2bwt h TRP 50 CO 0.01 0.26 0.66 -0.92 -1.03 0.00 0.00 178.44 177.42 2bwt h TYR 51 N 0.44 0.77 0.00 2.65 3.20 -0.45 0.15 116.97 123.73 2bwt h TYR 51 Ca 0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2bwt h TYR 51 Cb -0.05 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.01 2bwt h TYR 51 CO -0.06 -0.07 -1.19 1.19 -1.64 0.00 0.00 178.16 176.40 2bwt n PHE 52 N -4.81 0.00 0.00 -3.82 3.72 -1.07 -4.70 117.46 106.78 2bwt n PHE 52 Ca 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 2bwt n PHE 52 Cb 1.00 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 2bwt n PHE 52 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2bwt n THR 53 N -1.65 0.00 -3.20 4.37 -2.24 -0.88 -4.80 114.28 105.88 2bwt n THR 53 Ca 0.02 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.58 2bwt n THR 53 Cb 0.37 -0.75 0.01 0.00 -2.10 0.00 0.00 70.33 67.86 2bwt n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bwt n GLY 54 N 2.48 -0.50 3.06 3.38 0.00 0.46 -4.96 105.19 109.12 2bwt n GLY 54 Ca 0.00 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2bwt n GLY 54 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2bwt s PHE 55 N -3.04 2.85 -0.72 1.61 5.36 -1.26 -5.03 117.98 117.74 2bwt s PHE 55 Ca 0.35 -1.88 -0.01 0.00 -0.96 0.00 0.00 56.93 54.43 2bwt s PHE 55 Cb -0.17 -1.84 0.41 0.00 -0.34 0.00 0.00 43.02 41.08 2bwt s PHE 55 CO 0.44 -0.82 1.97 -1.71 -1.46 0.00 0.00 175.22 173.64 2bwt n ASN 56 N 4.57 7.42 -4.54 6.13 5.15 -1.26 -4.79 115.26 127.95 2bwt n ASN 56 Ca -0.16 -3.81 -0.30 0.00 -0.60 0.00 0.00 54.58 49.71 2bwt n ASN 56 Cb 0.46 -0.97 -0.11 0.00 -0.53 0.00 0.00 39.78 38.63 2bwt n ASN 56 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2bwt s GLU 57 N -3.91 1.96 0.94 1.20 2.02 -1.26 -4.95 118.70 114.70 2bwt s GLU 57 Ca 0.59 -1.10 -0.14 0.00 0.02 0.00 0.00 54.97 54.34 2bwt s GLU 57 Cb 0.47 -2.21 0.20 0.00 0.10 0.00 0.00 34.13 32.69 2bwt s GLU 57 CO -0.18 0.49 1.28 -1.25 0.02 0.00 0.00 175.26 175.63 2bwt s PRO 58 N -2.19 0.65 -1.15 0.39 0.04 -1.26 -4.57 135.00 126.91 2bwt s PRO 58 Ca 0.20 -0.63 -0.17 0.00 0.04 0.00 0.00 61.00 60.45 2bwt s PRO 58 Cb -0.11 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2bwt s PRO 58 CO 0.12 -2.35 0.79 0.39 0.04 0.00 0.00 177.00 175.98 2bwt n GLU 59 N -3.66 -1.70 -3.74 4.56 1.02 -1.26 -4.64 120.64 111.22 2bwt n GLU 59 Ca 0.16 0.52 -0.13 0.00 -0.02 0.00 0.00 57.16 57.70 2bwt n GLU 59 Cb 0.59 -4.43 -0.11 0.00 -0.02 0.00 0.00 31.44 27.47 2bwt n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bwt s ALA 60 N -3.49 -0.85 -0.05 0.62 0.00 -1.26 -3.33 121.76 113.39 2bwt s ALA 60 Ca 0.42 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.44 2bwt s ALA 60 Cb -0.14 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.39 2bwt s ALA 60 CO 0.84 -0.18 -0.03 0.08 0.00 0.00 0.00 175.76 176.47 2bwt s VAL 61 N 0.45 0.48 -0.05 0.00 1.01 0.19 -1.06 120.40 121.42 2bwt s VAL 61 Ca -0.02 -0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 2bwt s VAL 61 Cb -0.04 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2bwt s VAL 61 CO -0.02 0.24 0.72 -0.22 0.00 0.00 0.00 175.10 175.81 2bwt s LEU 62 N 1.27 4.33 -0.21 3.92 2.96 0.14 -0.84 118.68 130.24 2bwt s LEU 62 Ca -0.06 1.23 0.02 0.00 -0.22 0.00 0.00 54.13 55.10 2bwt s LEU 62 Cb -0.14 -3.11 0.04 0.00 0.50 0.00 0.00 46.19 43.48 2bwt s LEU 62 CO -0.02 -0.11 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.08 2bwt s VAL 63 N 0.72 1.97 -0.29 1.68 1.01 0.85 -1.11 120.40 125.23 2bwt s VAL 63 Ca 0.38 -1.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 2bwt s VAL 63 Cb -0.18 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 2bwt s VAL 63 CO 0.19 0.22 0.13 -0.76 0.00 0.00 0.00 175.10 174.88 2bwt s LEU 64 N 1.25 3.92 -0.19 3.92 1.43 -0.26 -1.19 118.68 127.58 2bwt s LEU 64 Ca -0.02 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.58 2bwt s LEU 64 Cb -0.17 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2bwt s LEU 64 CO -0.09 -0.15 0.04 -0.63 0.23 0.00 0.00 176.35 175.75 2bwt s ILE 65 N 1.61 4.49 -0.37 -0.59 1.01 -0.51 0.19 121.20 127.03 2bwt s ILE 65 Ca 0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 2bwt s ILE 65 Cb -0.17 -3.02 0.08 0.00 0.01 0.00 0.00 42.46 39.36 2bwt s ILE 65 CO 0.06 0.45 0.14 -0.75 0.00 0.00 0.00 174.94 174.84 2bwt s LYS 66 N 0.55 2.35 -0.04 2.79 2.20 0.71 -1.63 119.74 126.67 2bwt s LYS 66 Ca 0.02 -1.48 -0.25 0.00 -0.36 0.00 0.00 55.97 53.89 2bwt s LYS 66 Cb -0.13 -3.50 -0.22 0.00 -1.51 0.00 0.00 37.83 32.47 2bwt s LYS 66 CO 0.02 -0.86 1.10 0.77 -0.36 0.00 0.00 175.35 176.02 2bwt h SER 67 N 8.14 0.17 -0.07 1.43 0.02 -1.49 0.15 113.55 121.90 2bwt h SER 67 Ca -0.19 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 2bwt h SER 67 Cb 1.06 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2bwt h SER 67 CO 0.65 0.83 0.00 -0.90 -1.14 0.00 0.00 176.83 176.27 2bwt n ASP 68 N -4.61 0.00 0.14 3.07 5.68 -0.98 -2.91 116.55 116.94 2bwt n ASP 68 Ca -0.09 -0.05 0.13 0.00 -0.50 0.00 0.00 54.79 54.27 2bwt n ASP 68 Cb 0.42 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.86 2bwt n ASP 68 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2bwt h ASP 69 N 0.00 0.00 0.00 -1.12 5.19 -1.97 -3.21 116.42 115.31 2bwt h ASP 69 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2bwt h ASP 69 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2bwt h ASP 69 CO 0.00 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.47 2bwt n THR 70 N -2.35 0.00 -4.41 0.35 -2.24 -1.26 -5.04 114.28 99.33 2bwt n THR 70 Ca 0.03 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 60.98 2bwt n THR 70 Cb 0.33 1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 69.42 2bwt n THR 70 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2bwt s HIS 71 N -0.88 2.86 -0.07 4.78 3.76 -1.21 -5.09 115.29 119.43 2bwt s HIS 71 Ca 0.00 -0.86 -0.30 0.00 -0.15 0.00 0.00 55.06 53.76 2bwt s HIS 71 Cb 0.00 -1.94 0.10 0.00 1.11 0.00 0.00 32.58 31.85 2bwt s HIS 71 CO 0.00 -0.39 0.83 0.54 -0.85 0.00 0.00 174.74 174.87 2bwt s ASN 72 N 0.83 -0.49 0.20 1.40 2.20 -1.26 -1.38 114.94 116.43 2bwt s ASN 72 Ca -0.04 0.43 -0.14 0.00 -0.94 0.00 0.00 52.86 52.17 2bwt s ASN 72 Cb -0.15 0.43 0.01 0.00 -2.00 0.00 0.00 41.25 39.54 2bwt s ASN 72 CO 0.01 -0.53 0.45 -1.38 -2.94 0.00 0.00 177.10 172.71 2bwt s HIS 73 N -1.63 0.11 -0.10 1.54 -3.43 -0.64 -5.01 115.29 106.12 2bwt s HIS 73 Ca -0.04 -0.46 0.04 0.00 -0.80 0.00 0.00 55.06 53.79 2bwt s HIS 73 Cb -0.00 0.24 -0.00 0.00 -1.43 0.00 0.00 32.58 31.38 2bwt s HIS 73 CO 0.02 -0.88 -0.23 -1.54 -2.00 0.00 0.00 174.74 170.11 2bwt s SER 74 N -2.92 3.17 -0.14 7.38 1.04 -1.26 -1.42 113.70 119.54 2bwt s SER 74 Ca 0.14 -0.54 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 2bwt s SER 74 Cb 0.00 -1.42 -0.02 0.00 0.10 0.00 0.00 66.02 64.69 2bwt s SER 74 CO 0.00 0.16 -0.11 -0.69 0.98 0.00 0.00 173.24 173.59 2bwt s VAL 75 N 0.33 3.23 -0.21 5.02 1.01 -0.33 -1.54 120.40 127.91 2bwt s VAL 75 Ca -0.18 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 2bwt s VAL 75 Cb -0.18 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2bwt s VAL 75 CO 0.09 0.51 0.06 -0.22 0.00 0.00 0.00 175.10 175.54 2bwt s LEU 76 N 0.41 3.57 -0.08 3.92 2.96 -0.32 -0.10 118.68 129.04 2bwt s LEU 76 Ca -0.09 -0.08 -0.20 0.00 -0.22 0.00 0.00 54.13 53.54 2bwt s LEU 76 Cb -0.15 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 2bwt s LEU 76 CO 0.05 0.07 0.56 -0.36 -1.32 0.00 0.00 176.35 175.35 2bwt s PHE 77 N 0.99 3.56 0.26 5.38 0.08 -0.02 -0.39 117.98 127.84 2bwt s PHE 77 Ca 0.04 1.05 -0.09 0.00 0.12 0.00 0.00 56.93 58.05 2bwt s PHE 77 Cb -0.14 -2.63 -0.01 0.00 -0.57 0.00 0.00 43.02 39.67 2bwt s PHE 77 CO 0.03 0.18 0.43 0.54 -0.10 0.00 0.00 175.22 176.30 2bwt s ASN 78 N 0.51 0.13 0.33 1.36 4.22 -0.60 -0.64 114.94 120.25 2bwt s ASN 78 Ca 0.30 -1.11 -0.29 0.00 -2.14 0.00 0.00 52.86 49.63 2bwt s ASN 78 Cb -0.16 0.58 -0.10 0.00 1.28 0.00 0.00 41.25 42.84 2bwt s ASN 78 CO 0.14 -1.14 1.34 -0.13 -2.04 0.00 0.00 177.10 175.27 2bwt s ARG 79 N -3.82 4.32 0.73 3.55 0.52 -1.21 -0.36 118.95 122.68 2bwt s ARG 79 Ca 0.26 2.26 -0.13 0.00 -0.52 0.00 0.00 55.73 57.60 2bwt s ARG 79 Cb 0.00 -3.07 0.04 0.00 0.52 0.00 0.00 34.95 32.45 2bwt s ARG 79 CO 0.12 -0.25 1.12 0.54 0.02 0.00 0.00 175.30 176.85 2bwt s VAL 80 N -1.00 3.04 0.58 3.52 0.11 -1.26 -3.67 120.40 121.72 2bwt s VAL 80 Ca 0.50 0.42 -0.17 0.00 -2.93 0.00 0.00 61.98 59.80 2bwt s VAL 80 Cb -0.41 -2.88 -0.04 0.00 -1.53 0.00 0.00 36.38 31.52 2bwt s VAL 80 CO 0.53 -0.36 1.08 -0.13 -3.33 0.00 0.00 175.10 172.89 2bwt s ARG 81 N -4.41 3.28 -0.29 1.54 0.52 -1.26 -4.78 118.95 113.55 2bwt s ARG 81 Ca 0.66 1.36 -0.09 0.00 -0.52 0.00 0.00 55.73 57.13 2bwt s ARG 81 Cb -0.21 -2.02 0.13 0.00 0.52 0.00 0.00 34.95 33.37 2bwt s ARG 81 CO 0.49 -0.86 0.62 0.34 0.02 0.00 0.00 175.30 175.90 2bwt s ASP 82 N -2.40 -1.04 0.07 0.23 3.68 -1.26 -5.07 116.67 110.88 2bwt s ASP 82 Ca 0.67 1.46 -0.34 0.00 2.13 0.00 0.00 52.55 56.47 2bwt s ASP 82 Cb -0.19 2.17 -0.19 0.00 -1.45 0.00 0.00 42.92 43.27 2bwt s ASP 82 CO 0.33 -0.22 1.61 0.25 0.13 0.00 0.00 175.17 177.27 2bwt h LEU 83 N 8.02 -0.87 -0.24 -1.34 5.85 -1.99 -1.87 115.31 122.88 2bwt h LEU 83 Ca -0.18 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.62 2bwt h LEU 83 Cb 1.10 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 2bwt h LEU 83 CO 0.11 -0.60 -0.49 0.74 -0.34 0.00 0.00 178.44 177.87 2bwt h THR 84 N -0.97 0.06 -0.88 1.05 2.02 -1.99 -0.17 112.91 112.04 2bwt h THR 84 Ca -0.09 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.20 2bwt h THR 84 Cb 0.76 0.06 -0.07 0.00 -1.74 0.00 0.00 68.15 67.17 2bwt h THR 84 CO 0.14 0.00 0.57 0.00 0.37 0.00 0.00 175.52 176.59 2bwt h ALA 85 N 0.01 1.71 0.19 6.16 0.00 -1.95 -2.29 119.26 123.10 2bwt h ALA 85 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.67 2bwt h ALA 85 Cb 0.64 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 18.28 2bwt h ALA 85 CO -0.48 0.09 -1.37 0.93 0.00 0.00 0.00 179.25 178.42 2bwt h GLU 86 N 0.80 0.48 -0.60 0.00 5.08 -0.66 0.59 114.58 120.27 2bwt h GLU 86 Ca 0.42 -0.77 0.15 0.00 -1.00 0.00 0.00 59.36 58.16 2bwt h GLU 86 Cb 0.51 0.28 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2bwt h GLU 86 CO -0.18 1.36 0.42 0.82 -1.00 0.00 0.00 179.01 180.43 2bwt h ILE 87 N 0.15 0.75 0.00 3.13 2.04 -0.72 -0.61 117.51 122.24 2bwt h ILE 87 Ca -0.21 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2bwt h ILE 87 Cb 2.06 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2bwt h ILE 87 CO 0.25 0.02 0.00 0.79 0.00 0.00 0.00 178.15 179.21 2bwt n TRP 88 N -4.40 0.00 1.55 1.37 7.02 -0.89 -4.75 117.44 117.33 2bwt n TRP 88 Ca 0.11 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.65 2bwt n TRP 88 Cb 0.59 0.00 0.26 0.00 -2.42 0.00 0.00 31.31 29.75 2bwt n TRP 88 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2bwt n PHE 89 N -0.59 0.16 0.00 -5.99 3.72 0.21 -5.00 117.46 109.97 2bwt n PHE 89 Ca 0.00 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2bwt n PHE 89 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2bwt n PHE 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bwt n GLY 90 N 0.86 0.87 3.44 1.37 0.00 -0.24 -4.94 105.19 106.55 2bwt n GLY 90 Ca 0.10 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 2bwt n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bwt n ARG 91 N 1.05 0.23 -4.03 1.61 1.74 -1.26 -4.36 116.66 111.65 2bwt n ARG 91 Ca 0.00 0.12 -0.10 0.00 -0.77 0.00 0.00 57.85 57.09 2bwt n ARG 91 Cb 0.00 -1.79 -0.11 0.00 -1.02 0.00 0.00 32.46 29.54 2bwt n ARG 91 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2bwt s ARG 92 N -2.77 0.46 0.02 5.56 0.52 -1.26 -5.04 118.95 116.43 2bwt s ARG 92 Ca 0.64 -0.77 -0.23 0.00 -0.52 0.00 0.00 55.73 54.85 2bwt s ARG 92 Cb -0.34 -0.05 -0.16 0.00 0.52 0.00 0.00 34.95 34.92 2bwt s ARG 92 CO 0.60 -0.02 1.37 1.25 0.02 0.00 0.00 175.30 178.52 2bwt h LEU 93 N 4.33 0.20 0.00 2.53 5.85 -1.94 -3.47 115.31 122.81 2bwt h LEU 93 Ca -0.34 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 57.97 2bwt h LEU 93 Cb 1.20 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 2bwt h LEU 93 CO 0.45 0.58 -0.02 0.61 -0.34 0.00 0.00 178.44 179.72 2bwt n GLY 94 N 0.03 -2.08 0.11 3.75 0.00 -1.24 -4.21 105.19 101.55 2bwt n GLY 94 Ca -0.07 -1.43 -0.16 0.00 0.00 0.00 0.00 46.02 44.36 2bwt n GLY 94 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2bwt h GLN 95 N 0.00 0.18 0.15 1.61 7.50 -1.88 -3.31 115.11 119.37 2bwt h GLN 95 Ca 0.00 -0.32 0.01 0.00 0.50 0.00 0.00 58.65 58.84 2bwt h GLN 95 Cb 0.04 0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.67 2bwt h GLN 95 CO 0.00 0.97 -0.18 -0.44 -1.50 0.00 0.00 178.83 177.69 2bwt h ASP 96 N 0.05 -0.48 1.09 1.46 5.19 -1.91 -3.01 116.42 118.82 2bwt h ASP 96 Ca -0.33 0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.07 2bwt h ASP 96 Cb 2.03 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 41.70 2bwt h ASP 96 CO 0.11 -0.26 -0.25 0.00 -3.12 0.00 0.00 179.24 175.71 2bwt h ALA 97 N 0.43 0.96 0.04 3.45 0.00 -1.76 -3.38 119.26 119.00 2bwt h ALA 97 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2bwt h ALA 97 Cb 0.36 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2bwt h ALA 97 CO -0.06 0.31 -0.04 0.00 0.00 0.00 0.00 179.25 179.46 2bwt h ALA 98 N 1.75 -0.07 -0.80 0.00 0.00 -1.61 -1.15 119.26 117.37 2bwt h ALA 98 Ca -0.00 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.06 2bwt h ALA 98 Cb 0.87 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 2bwt h ALA 98 CO 0.03 -0.55 0.35 -1.35 0.00 0.00 0.00 179.25 177.73 2bwt h PRO 99 N -0.09 0.46 0.03 0.00 0.11 -1.74 0.28 132.00 131.05 2bwt h PRO 99 Ca 0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 2bwt h PRO 99 Cb 0.09 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.10 2bwt h PRO 99 CO -0.01 0.31 -0.01 1.49 -0.21 0.00 0.00 178.00 179.56 2bwt h GLU 100 N 0.48 -0.03 -0.16 1.05 4.22 -1.76 -1.42 114.58 116.95 2bwt h GLU 100 Ca 0.45 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.91 2bwt h GLU 100 Cb 0.71 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2bwt h GLU 100 CO -0.42 0.68 0.06 -0.22 -2.18 0.00 0.00 179.01 176.93 2bwt h LYS 101 N -0.85 0.14 -0.03 1.92 1.63 -1.09 -3.22 116.57 115.07 2bwt h LYS 101 Ca -0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2bwt h LYS 101 Cb 0.73 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 2bwt h LYS 101 CO 0.01 0.09 -0.09 1.28 -3.45 0.00 0.00 179.45 177.28 2bwt n LEU 102 N -5.04 2.73 -3.49 5.20 4.77 0.08 -4.99 117.00 116.26 2bwt n LEU 102 Ca -0.04 -0.93 -0.18 0.00 -0.03 0.00 0.00 56.01 54.84 2bwt n LEU 102 Cb 0.06 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.23 2bwt n LEU 102 CO 0.31 0.46 0.07 0.61 -1.33 0.00 0.00 177.39 177.51 2bwt n GLY 103 N 1.36 -0.34 3.51 -0.72 0.00 -0.57 -4.96 105.19 103.46 2bwt n GLY 103 Ca 0.13 0.11 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 2bwt n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bwt s VAL 104 N -3.43 2.77 0.09 1.61 -7.23 -1.00 -4.98 120.40 108.23 2bwt s VAL 104 Ca 0.00 -1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.08 2bwt s VAL 104 Cb -0.00 -2.39 -0.23 0.00 0.56 0.00 0.00 36.38 34.31 2bwt s VAL 104 CO 0.75 -0.21 1.20 0.44 -0.31 0.00 0.00 175.10 176.97 2bwt h ASP 105 N 2.73 0.74 -5.09 4.85 3.32 -1.63 -3.38 116.42 117.95 2bwt h ASP 105 Ca -0.45 -0.63 -0.14 0.00 0.02 0.00 0.00 57.03 55.83 2bwt h ASP 105 Cb 1.22 -0.23 -0.18 0.00 0.22 0.00 0.00 39.33 40.36 2bwt h ASP 105 CO 0.54 1.44 -0.64 -0.60 -1.72 0.00 0.00 179.24 178.26 2bwt s ARG 106 N -3.16 0.49 -0.05 3.56 3.52 -0.59 -4.94 118.95 117.78 2bwt s ARG 106 Ca -0.08 -0.83 -0.02 0.00 -0.13 0.00 0.00 55.73 54.66 2bwt s ARG 106 Cb 0.07 0.18 0.04 0.00 -1.56 0.00 0.00 34.95 33.68 2bwt s ARG 106 CO 0.90 -0.10 0.09 0.00 -0.81 0.00 0.00 175.30 175.39 2bwt s ALA 107 N -2.54 0.06 0.29 6.12 0.00 -1.26 -1.17 121.76 123.26 2bwt s ALA 107 Ca -0.06 0.35 0.12 0.00 0.00 0.00 0.00 51.96 52.36 2bwt s ALA 107 Cb -0.02 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 2bwt s ALA 107 CO -0.05 -0.46 -0.18 -0.51 0.00 0.00 0.00 175.76 174.56 2bwt s LEU 108 N 2.06 2.62 0.05 0.00 1.43 0.47 -4.83 118.68 120.48 2bwt s LEU 108 Ca 0.02 -1.05 -0.31 0.00 -1.03 0.00 0.00 54.13 51.77 2bwt s LEU 108 Cb -0.12 -1.10 -0.06 0.00 0.03 0.00 0.00 46.19 44.94 2bwt s LEU 108 CO -0.04 0.01 1.26 0.00 0.23 0.00 0.00 176.35 177.80 2bwt s ALA 109 N -2.52 3.46 0.34 4.21 0.00 -1.26 -1.56 121.76 124.43 2bwt s ALA 109 Ca 0.30 0.87 0.06 0.00 0.00 0.00 0.00 51.96 53.20 2bwt s ALA 109 Cb -0.04 -3.49 0.73 0.00 0.00 0.00 0.00 23.12 20.32 2bwt s ALA 109 CO 0.15 -0.56 1.88 0.35 0.00 0.00 0.00 175.76 177.57 2bwt h PHE 110 N 7.01 0.90 -0.05 0.00 3.57 -1.00 0.11 116.94 127.47 2bwt h PHE 110 Ca -0.40 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.14 2bwt h PHE 110 Cb 1.20 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 2bwt h PHE 110 CO 0.68 0.36 0.14 0.66 -2.23 0.00 0.00 178.31 177.93 2bwt h SER 111 N 0.79 0.00 -0.02 0.41 4.64 -1.92 -0.27 113.55 117.19 2bwt h SER 111 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2bwt h SER 111 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2bwt h SER 111 CO -0.20 0.00 -0.01 -0.62 -0.87 0.00 0.00 176.83 175.13 2bwt n GLU 112 N -3.30 1.84 -0.34 4.77 -0.58 0.37 -4.62 120.64 118.78 2bwt n GLU 112 Ca -0.01 -1.23 0.04 0.00 -0.42 0.00 0.00 57.16 55.54 2bwt n GLU 112 Cb 0.22 -1.47 0.22 0.00 -0.57 0.00 0.00 31.44 29.84 2bwt n GLU 112 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 2bwt h ILE 113 N 3.00 1.04 0.00 -3.67 2.10 -1.05 -0.04 117.51 118.89 2bwt h ILE 113 Ca 0.00 -0.37 -0.06 0.00 1.08 0.00 0.00 64.86 65.52 2bwt h ILE 113 Cb 0.64 -0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 36.24 2bwt h ILE 113 CO 0.00 0.19 -0.28 0.78 -1.08 0.00 0.00 178.15 177.77 2bwt h ASN 114 N 1.07 0.00 0.53 2.19 2.35 -1.82 0.17 115.58 120.07 2bwt h ASN 114 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 2bwt h ASN 114 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2bwt h ASN 114 CO -0.18 0.28 -0.29 0.00 -1.65 0.00 0.00 177.43 175.59 2bwt n GLN 115 N -4.12 0.27 0.00 0.81 3.00 -0.07 -4.49 117.38 112.78 2bwt n GLN 115 Ca -0.02 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 2bwt n GLN 115 Cb 0.33 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.07 2bwt n GLN 115 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2bwt n GLN 116 N -1.26 0.00 -0.25 -1.09 1.13 -0.91 -4.76 117.38 110.24 2bwt n GLN 116 Ca 0.09 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.13 2bwt n GLN 116 Cb 0.33 -0.87 0.10 0.00 0.11 0.00 0.00 30.24 29.91 2bwt n GLN 116 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2bwt h LEU 117 N 0.00 0.66 -1.86 1.08 5.85 -1.20 -0.81 115.31 119.04 2bwt h LEU 117 Ca 0.00 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2bwt h LEU 117 Cb 0.97 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 2bwt h LEU 117 CO 0.00 0.44 -0.13 0.10 -0.34 0.00 0.00 178.44 178.51 2bwt h TYR 118 N 0.80 0.00 -0.36 1.25 -0.00 -1.81 -1.24 116.97 115.61 2bwt h TYR 118 Ca 0.30 0.00 -0.13 0.00 -0.00 0.00 0.00 58.73 58.90 2bwt h TYR 118 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.85 2bwt h TYR 118 CO -0.06 0.13 -0.29 1.96 -0.00 0.00 0.00 178.16 179.90 2bwt h GLN 119 N 0.00 0.83 -0.76 0.10 4.20 -1.45 0.15 115.11 118.18 2bwt h GLN 119 Ca -0.00 -0.42 -0.03 0.00 0.06 0.00 0.00 58.65 58.26 2bwt h GLN 119 Cb 0.26 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 2bwt h GLN 119 CO 0.02 1.05 0.36 -0.07 -0.67 0.00 0.00 178.83 179.52 2bwt h LEU 120 N 0.62 0.99 0.00 1.46 3.38 -0.87 -3.07 115.31 117.82 2bwt h LEU 120 Ca 0.06 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2bwt h LEU 120 Cb 0.87 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2bwt h LEU 120 CO 0.08 0.84 -0.47 -0.07 0.09 0.00 0.00 178.44 178.91 2bwt h LEU 121 N 1.08 0.00 -9.27 1.67 3.38 -1.13 -3.46 115.31 107.57 2bwt h LEU 121 Ca 0.26 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.56 2bwt h LEU 121 Cb 0.12 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.92 2bwt h LEU 121 CO -0.03 0.27 0.43 -3.20 0.09 0.00 0.00 178.44 176.00 2bwt n ASN 122 N -3.09 1.59 0.00 -0.43 5.15 0.03 -2.02 115.26 116.49 2bwt n ASN 122 Ca 0.01 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.12 2bwt n ASN 122 Cb 0.65 -1.19 0.00 0.00 -0.53 0.00 0.00 39.78 38.71 2bwt n ASN 122 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bwt n GLY 123 N 2.45 1.92 3.80 8.20 0.00 -0.64 -4.96 105.19 115.97 2bwt n GLY 123 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2bwt n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bwt s LEU 124 N 0.00 2.37 -0.20 0.99 1.43 -0.86 -4.97 118.68 117.45 2bwt s LEU 124 Ca 0.00 1.15 0.11 0.00 -1.03 0.00 0.00 54.13 54.36 2bwt s LEU 124 Cb 0.00 -3.65 -0.20 0.00 0.03 0.00 0.00 46.19 42.37 2bwt s LEU 124 CO 0.00 -2.18 -0.03 0.47 0.23 0.00 0.00 176.35 174.84 2bwt n ASP 125 N -3.55 1.06 -4.08 2.29 8.00 -0.06 -3.34 116.55 116.88 2bwt n ASP 125 Ca 0.07 -0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.32 2bwt n ASP 125 Cb 0.58 0.50 -0.15 0.00 -0.02 0.00 0.00 41.12 42.03 2bwt n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bwt s VAL 126 N -2.45 0.95 -0.09 2.53 1.01 -1.09 -2.73 120.40 118.52 2bwt s VAL 126 Ca -0.17 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.29 2bwt s VAL 126 Cb 0.06 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.66 2bwt s VAL 126 CO 0.68 0.24 -0.15 0.54 0.00 0.00 0.00 175.10 176.41 2bwt s VAL 127 N -0.33 1.42 -0.24 2.92 0.11 -0.43 -1.99 120.40 121.87 2bwt s VAL 127 Ca 0.04 -0.61 -0.16 0.00 -2.93 0.00 0.00 61.98 58.32 2bwt s VAL 127 Cb -0.05 -1.29 -0.03 0.00 -1.53 0.00 0.00 36.38 33.48 2bwt s VAL 127 CO -0.00 0.42 0.43 -0.31 -3.33 0.00 0.00 175.10 172.30 2bwt s TYR 128 N 0.84 3.30 -0.09 1.54 1.51 0.56 -1.29 117.35 123.72 2bwt s TYR 128 Ca -0.10 0.56 -0.10 0.00 -1.01 0.00 0.00 57.07 56.42 2bwt s TYR 128 Cb -0.15 -2.60 0.02 0.00 -0.11 0.00 0.00 41.96 39.12 2bwt s TYR 128 CO 0.01 -0.16 0.26 -1.58 -1.11 0.00 0.00 175.55 172.98 2bwt s HIS 129 N 1.84 -0.27 -0.95 2.71 2.46 -0.48 -1.09 115.29 119.52 2bwt s HIS 129 Ca 0.18 0.64 -0.17 0.00 0.47 0.00 0.00 55.06 56.18 2bwt s HIS 129 Cb -0.15 0.09 0.15 0.00 -0.13 0.00 0.00 32.58 32.54 2bwt s HIS 129 CO 0.09 -0.17 1.11 0.00 -2.47 0.00 0.00 174.74 173.30 2bwt s ALA 130 N -0.04 3.58 0.29 1.58 0.00 -1.26 -4.03 121.76 121.87 2bwt s ALA 130 Ca -0.02 -2.95 -0.29 0.00 0.00 0.00 0.00 51.96 48.70 2bwt s ALA 130 Cb -0.02 -3.97 -0.10 0.00 0.00 0.00 0.00 23.12 19.03 2bwt s ALA 130 CO 0.01 -2.83 1.46 -1.14 0.00 0.00 0.00 175.76 173.25 2bwt s GLN 131 N 2.08 4.23 -0.11 0.00 2.00 -1.26 -2.83 119.66 123.76 2bwt s GLN 131 Ca 0.31 2.38 0.00 0.00 -2.00 0.00 0.00 55.36 56.06 2bwt s GLN 131 Cb -0.05 -3.07 0.00 0.00 0.80 0.00 0.00 33.01 30.69 2bwt s GLN 131 CO -0.08 -0.44 0.00 0.41 -0.50 0.00 0.00 175.29 174.67 2bwt n GLY 132 N 1.71 0.48 0.07 2.59 0.00 -1.26 -4.92 105.19 103.87 2bwt n GLY 132 Ca 0.05 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 2bwt n GLY 132 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bwt h GLU 133 N 0.60 -0.00 -4.31 1.61 4.57 -1.97 -3.46 114.58 111.61 2bwt h GLU 133 Ca -0.02 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.83 2bwt h GLU 133 Cb 0.20 0.00 -0.28 0.00 -0.16 0.00 0.00 28.75 28.50 2bwt h GLU 133 CO 0.03 0.78 -0.75 0.71 -1.18 0.00 0.00 179.01 178.60 2bwt s TYR 134 N -2.16 0.48 0.13 0.92 2.02 -1.26 -5.07 117.35 112.41 2bwt s TYR 134 Ca -0.15 -0.09 -0.15 0.00 -0.37 0.00 0.00 57.07 56.31 2bwt s TYR 134 Cb -0.02 -0.31 -0.00 0.00 -0.40 0.00 0.00 41.96 41.22 2bwt s TYR 134 CO 0.55 -0.01 1.65 0.00 -1.57 0.00 0.00 175.55 176.17 2bwt h ALA 135 N 6.03 0.54 -0.26 3.71 0.00 -1.99 -2.64 119.26 124.65 2bwt h ALA 135 Ca -0.28 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2bwt h ALA 135 Cb 1.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2bwt h ALA 135 CO 0.50 0.19 -0.04 0.10 0.00 0.00 0.00 179.25 180.01 2bwt h TYR 136 N 0.53 0.42 -0.07 0.00 -0.00 -1.99 -1.32 116.97 114.54 2bwt h TYR 136 Ca 0.13 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.73 58.81 2bwt h TYR 136 Cb 0.27 -0.12 -0.00 0.00 -0.00 0.00 0.00 36.73 36.87 2bwt h TYR 136 CO 0.01 0.45 -0.03 0.00 -0.00 0.00 0.00 178.16 178.59 2bwt h ALA 137 N 1.58 0.09 -0.94 0.10 0.00 -1.95 -2.07 119.26 116.07 2bwt h ALA 137 Ca 0.08 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.83 2bwt h ALA 137 Cb 0.32 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 2bwt h ALA 137 CO 0.01 -0.17 0.60 -0.44 0.00 0.00 0.00 179.25 179.25 2bwt h ASP 138 N -0.24 0.94 -0.34 0.00 3.32 -1.20 -0.24 116.42 118.66 2bwt h ASP 138 Ca 0.01 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.11 2bwt h ASP 138 Cb 0.46 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 2bwt h ASP 138 CO 0.01 0.59 0.17 0.58 -1.72 0.00 0.00 179.24 178.87 2bwt h VAL 139 N 1.07 0.99 -0.36 -1.35 2.07 -1.13 -0.08 116.25 117.45 2bwt h VAL 139 Ca 0.41 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.81 2bwt h VAL 139 Cb 0.20 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2bwt h VAL 139 CO -0.18 0.06 0.20 0.40 0.02 0.00 0.00 177.57 178.07 2bwt h ILE 140 N 0.35 1.15 -0.12 4.57 2.04 -0.61 -1.00 117.51 123.88 2bwt h ILE 140 Ca 0.14 -0.39 -0.17 0.00 1.00 0.00 0.00 64.86 65.44 2bwt h ILE 140 Cb 0.05 0.74 0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2bwt h ILE 140 CO -0.10 0.15 -0.61 0.58 0.00 0.00 0.00 178.15 178.18 2bwt h VAL 141 N 0.46 1.33 -0.49 1.67 2.07 -0.92 -1.84 116.25 118.53 2bwt h VAL 141 Ca 0.13 -1.88 -0.06 0.00 0.82 0.00 0.00 66.70 65.71 2bwt h VAL 141 Cb 0.07 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 2bwt h VAL 141 CO -0.02 0.58 0.06 0.78 0.02 0.00 0.00 177.57 178.99 2bwt h ASN 142 N 0.28 0.74 -0.63 0.57 2.35 -1.03 -2.02 115.58 115.84 2bwt h ASN 142 Ca -0.04 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.47 2bwt h ASN 142 Cb 1.24 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 2bwt h ASN 142 CO 0.13 0.77 0.04 -1.28 -1.65 0.00 0.00 177.43 175.44 2bwt h SER 143 N 0.74 1.06 -0.55 5.81 0.87 -1.07 -1.42 113.55 119.00 2bwt h SER 143 Ca 0.16 -0.28 -0.10 0.00 -1.23 0.00 0.00 61.79 60.33 2bwt h SER 143 Cb 0.37 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2bwt h SER 143 CO 0.01 1.09 -0.06 0.00 -0.53 0.00 0.00 176.83 177.33 2bwt h ALA 144 N 1.02 0.75 -0.19 6.23 0.00 -1.09 -2.70 119.26 123.29 2bwt h ALA 144 Ca 0.19 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 2bwt h ALA 144 Cb 0.52 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2bwt h ALA 144 CO 0.02 0.63 -0.63 -0.07 0.00 0.00 0.00 179.25 179.20 2bwt h LEU 145 N 0.90 0.76 -0.51 0.00 3.38 -1.28 -2.88 115.31 115.68 2bwt h LEU 145 Ca 0.15 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.70 2bwt h LEU 145 Cb 0.62 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2bwt h LEU 145 CO 0.04 1.20 0.30 -0.33 0.09 0.00 0.00 178.44 179.74 2bwt h GLU 146 N 0.49 0.57 -0.30 1.13 4.39 -1.22 0.81 114.58 120.45 2bwt h GLU 146 Ca -0.01 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.71 2bwt h GLU 146 Cb 1.22 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.69 2bwt h GLU 146 CO 0.13 0.38 -0.06 0.87 -1.16 0.00 0.00 179.01 179.17 2bwt h LYS 147 N 0.59 0.02 -0.58 2.33 1.57 -1.47 -0.67 116.57 118.35 2bwt h LYS 147 Ca 0.21 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 2bwt h LYS 147 Cb 0.04 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2bwt h LYS 147 CO -0.10 0.01 0.10 -0.07 -0.57 0.00 0.00 179.45 178.82 2bwt h LEU 148 N 0.02 0.92 0.47 2.94 3.38 -1.23 -1.67 115.31 120.14 2bwt h LEU 148 Ca 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2bwt h LEU 148 Cb 0.22 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2bwt h LEU 148 CO -0.30 0.94 -0.23 0.03 0.09 0.00 0.00 178.44 178.98 2bwt h ARG 149 N 0.86 -0.61 0.00 1.13 3.08 -0.64 -3.10 114.38 115.09 2bwt h ARG 149 Ca 0.18 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2bwt h ARG 149 Cb 0.41 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2bwt h ARG 149 CO 0.01 -0.34 0.00 1.63 -1.07 0.00 0.00 179.97 180.20 2bwt n LYS 150 N -5.30 0.72 -1.39 0.04 5.02 -0.28 -3.91 118.16 113.05 2bwt n LYS 150 Ca -0.11 0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 55.98 2bwt n LYS 150 Cb 0.30 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.91 2bwt n LYS 150 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bwt n GLY 151 N 0.54 5.67 0.23 0.72 0.00 -0.63 -4.70 105.19 107.03 2bwt n GLY 151 Ca 0.17 -2.01 0.10 0.00 0.00 0.00 0.00 46.02 44.29 2bwt n GLY 151 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bwt h SER 152 N 1.68 0.00 1.05 1.61 4.64 -1.69 -1.67 113.55 119.16 2bwt h SER 152 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 2bwt h SER 152 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 2bwt h SER 152 CO 0.87 0.21 0.00 0.03 -0.87 0.00 0.00 176.83 177.07 2bwt h ARG 153 N 0.00 0.00 -0.81 4.77 3.08 -1.89 -2.22 114.38 117.32 2bwt h ARG 153 Ca -0.00 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.61 2bwt h ARG 153 Cb 0.58 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.38 2bwt h ARG 153 CO 0.03 0.00 0.44 1.04 -1.07 0.00 0.00 179.97 180.41 2bwt n GLN 154 N -2.69 2.17 -4.48 0.04 3.00 -0.70 -4.95 117.38 109.76 2bwt n GLN 154 Ca 0.02 -3.09 -0.41 0.00 -0.01 0.00 0.00 57.00 53.51 2bwt n GLN 154 Cb 0.31 -2.08 -0.07 0.00 0.00 0.00 0.00 30.24 28.39 2bwt n GLN 154 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2bwt n ASN 155 N -1.13 -1.76 -4.95 1.08 3.02 -0.83 -4.97 115.26 105.72 2bwt n ASN 155 Ca 0.52 -1.22 -0.25 0.00 -0.03 0.00 0.00 54.58 53.61 2bwt n ASN 155 Cb 1.44 -1.76 -0.03 0.00 -0.61 0.00 0.00 39.78 38.82 2bwt n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bwt s LEU 156 N -7.26 4.31 -0.10 3.41 1.43 -0.76 -4.98 118.68 114.72 2bwt s LEU 156 Ca 0.75 0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 53.86 2bwt s LEU 156 Cb -0.43 -2.95 0.04 0.00 0.03 0.00 0.00 46.19 42.88 2bwt s LEU 156 CO 1.01 -0.01 0.41 0.42 0.23 0.00 0.00 176.35 178.42 2bwt s THR 157 N -1.85 0.02 0.12 5.49 -4.23 -1.25 -3.99 115.64 109.96 2bwt s THR 157 Ca 0.35 -0.17 -0.09 0.00 -1.18 0.00 0.00 61.69 60.60 2bwt s THR 157 Cb -0.10 -0.65 -0.06 0.00 1.34 0.00 0.00 72.50 73.03 2bwt s THR 157 CO 0.29 -0.09 0.42 0.00 -0.54 0.00 0.00 174.62 174.70 2bwt s ALA 158 N -0.49 3.71 0.16 3.99 0.00 -1.26 -1.62 121.76 126.25 2bwt s ALA 158 Ca -0.06 -0.40 -0.31 0.00 0.00 0.00 0.00 51.96 51.19 2bwt s ALA 158 Cb -0.03 -2.27 -0.11 0.00 0.00 0.00 0.00 23.12 20.70 2bwt s ALA 158 CO 0.03 0.58 1.76 -1.25 0.00 0.00 0.00 175.76 176.88 2bwt s PRO 159 N -2.23 4.14 0.00 0.00 0.04 -1.21 -4.88 135.00 130.86 2bwt s PRO 159 Ca 0.37 2.57 0.28 0.00 0.04 0.00 0.00 61.00 64.27 2bwt s PRO 159 Cb -0.13 -3.35 1.10 0.00 0.04 0.00 0.00 34.50 32.15 2bwt s PRO 159 CO 0.20 -0.79 1.81 0.00 0.04 0.00 0.00 177.00 178.26 2bwt n ALA 160 N 4.88 2.74 -4.06 8.56 0.00 -1.16 -4.75 120.51 126.72 2bwt n ALA 160 Ca 0.17 -0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.07 2bwt n ALA 160 Cb 0.37 -1.36 -0.16 0.00 0.00 0.00 0.00 19.45 18.31 2bwt n ALA 160 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2bwt s THR 161 N -2.82 2.18 -0.09 0.00 2.01 -1.11 -5.08 115.64 110.74 2bwt s THR 161 Ca 0.19 -1.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 2bwt s THR 161 Cb 0.19 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 2bwt s THR 161 CO 0.55 0.41 0.00 -0.32 -0.69 0.00 0.00 174.62 174.57 2bwt s MET 162 N 1.26 2.99 -0.01 4.92 1.75 -1.26 -1.31 119.30 127.65 2bwt s MET 162 Ca 0.02 -0.41 0.02 0.00 -1.25 0.00 0.00 55.69 54.07 2bwt s MET 162 Cb -0.15 -2.79 0.00 0.00 2.84 0.00 0.00 34.83 34.73 2bwt s MET 162 CO -0.11 0.69 -0.06 0.42 -0.65 0.00 0.00 175.02 175.32 2bwt s ILE 163 N -0.86 0.48 -0.19 10.11 1.01 -0.41 -4.96 121.20 126.39 2bwt s ILE 163 Ca 0.13 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 2bwt s ILE 163 Cb -0.11 -0.43 -0.01 0.00 0.01 0.00 0.00 42.46 41.92 2bwt s ILE 163 CO 0.02 0.15 1.27 -0.62 0.00 0.00 0.00 174.94 175.77 2bwt s ASP 164 N 0.05 6.89 0.12 3.58 -1.08 -1.26 -1.38 116.67 123.59 2bwt s ASP 164 Ca -0.00 1.62 0.27 0.00 -0.52 0.00 0.00 52.55 53.92 2bwt s ASP 164 Cb -0.05 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.79 2bwt s ASP 164 CO -0.00 -0.82 1.78 -2.67 0.52 0.00 0.00 175.17 173.98 2bwt n TRP 165 N 6.79 0.52 -0.15 -5.34 4.27 -1.26 -4.24 117.44 118.02 2bwt n TRP 165 Ca 0.14 0.15 -0.04 0.00 -3.89 0.00 0.00 57.50 53.86 2bwt n TRP 165 Cb 0.45 -0.72 0.05 0.00 -1.36 0.00 0.00 31.31 29.73 2bwt n TRP 165 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2bwt h ARG 166 N 0.00 0.39 -0.57 -2.67 3.08 -1.90 0.78 114.38 113.49 2bwt h ARG 166 Ca 0.00 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.10 2bwt h ARG 166 Cb 0.64 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.55 2bwt h ARG 166 CO 0.00 0.26 0.25 -1.35 -1.07 0.00 0.00 179.97 178.06 2bwt h PRO 167 N 0.40 0.46 0.03 0.04 0.11 -1.99 0.17 132.00 131.21 2bwt h PRO 167 Ca 0.22 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 2bwt h PRO 167 Cb 0.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.20 2bwt h PRO 167 CO -0.20 0.30 -0.02 0.28 -0.21 0.00 0.00 178.00 178.16 2bwt h VAL 168 N 0.47 1.06 -0.20 3.15 2.07 -1.65 -1.99 116.25 119.16 2bwt h VAL 168 Ca 0.27 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 2bwt h VAL 168 Cb 0.25 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2bwt h VAL 168 CO -0.23 0.08 -0.31 0.58 0.02 0.00 0.00 177.57 177.71 2bwt h VAL 169 N -0.18 1.28 0.00 2.57 2.07 -0.63 -2.53 116.25 118.82 2bwt h VAL 169 Ca -0.00 -1.35 -0.16 0.00 0.82 0.00 0.00 66.70 66.01 2bwt h VAL 169 Cb 0.16 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2bwt h VAL 169 CO 0.01 0.42 -0.74 0.45 0.02 0.00 0.00 177.57 177.73 2bwt h HIS 170 N 0.35 0.00 -0.50 1.57 3.86 -0.65 -1.61 115.15 118.17 2bwt h HIS 170 Ca 0.05 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.20 2bwt h HIS 170 Cb 0.73 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.17 2bwt h HIS 170 CO 0.02 0.74 0.06 1.49 0.86 0.00 0.00 177.93 181.11 2bwt h GLU 171 N 0.00 0.78 -0.27 2.45 4.57 -1.19 -1.68 114.58 119.24 2bwt h GLU 171 Ca -0.01 -0.18 -0.04 0.00 -1.18 0.00 0.00 59.36 57.95 2bwt h GLU 171 Cb 1.45 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.92 2bwt h GLU 171 CO 0.10 0.75 -0.00 0.52 -1.18 0.00 0.00 179.01 179.19 2bwt h MET 172 N 0.75 0.49 0.00 1.92 2.86 -1.04 -3.02 114.93 116.88 2bwt h MET 172 Ca 0.16 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2bwt h MET 172 Cb 0.36 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 2bwt h MET 172 CO 0.01 0.65 -0.14 0.00 1.06 0.00 0.00 176.91 178.48 2bwt h ARG 173 N 0.27 0.00 0.00 1.72 3.08 -1.21 -2.80 114.38 115.44 2bwt h ARG 173 Ca 0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2bwt h ARG 173 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 2bwt h ARG 173 CO 0.01 0.14 -0.10 1.25 -1.07 0.00 0.00 179.97 180.21 2bwt h LEU 174 N 0.00 0.00 -8.17 3.04 5.85 -1.17 -3.38 115.31 111.47 2bwt h LEU 174 Ca -0.00 0.00 -0.69 0.00 0.84 0.00 0.00 57.88 58.03 2bwt h LEU 174 Cb 0.55 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 41.28 2bwt h LEU 174 CO 0.02 0.10 -0.63 -0.36 -0.34 0.00 0.00 178.44 177.23 2bwt s PHE 175 N -4.49 3.25 0.21 1.25 0.40 -1.06 -4.27 117.98 113.27 2bwt s PHE 175 Ca -0.04 -1.49 -0.25 0.00 -0.60 0.00 0.00 56.93 54.55 2bwt s PHE 175 Cb 0.15 -2.23 -0.08 0.00 0.51 0.00 0.00 43.02 41.36 2bwt s PHE 175 CO 0.61 -0.74 0.81 0.15 0.70 0.00 0.00 175.22 176.76 2bwt s LYS 176 N 1.37 4.55 0.72 0.44 3.01 -0.22 -4.95 119.74 124.66 2bwt s LYS 176 Ca -0.02 1.17 -0.08 0.00 -1.01 0.00 0.00 55.97 56.02 2bwt s LYS 176 Cb -0.19 -3.11 0.06 0.00 -1.01 0.00 0.00 37.83 33.57 2bwt s LYS 176 CO 0.02 0.48 1.05 -1.54 0.51 0.00 0.00 175.35 175.88 2bwt s SER 177 N -1.33 4.86 0.30 2.83 1.04 -1.26 -4.77 113.70 115.37 2bwt s SER 177 Ca 0.40 0.62 0.02 0.00 0.48 0.00 0.00 55.95 57.47 2bwt s SER 177 Cb -0.21 -1.28 0.56 0.00 0.10 0.00 0.00 66.02 65.19 2bwt s SER 177 CO 0.26 -1.61 1.88 -0.65 0.98 0.00 0.00 173.24 174.10 2bwt h PRO 178 N -0.69 0.96 -0.33 4.02 0.11 -1.99 -0.54 132.00 133.55 2bwt h PRO 178 Ca -0.45 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2bwt h PRO 178 Cb 1.31 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2bwt h PRO 178 CO 0.62 0.64 0.19 0.93 -0.21 0.00 0.00 178.00 180.17 2bwt h GLU 179 N 0.99 0.45 -0.81 1.05 5.08 -1.93 -1.59 114.58 117.81 2bwt h GLU 179 Ca 0.43 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.78 2bwt h GLU 179 Cb 0.35 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2bwt h GLU 179 CO -0.19 0.35 0.53 0.93 -1.00 0.00 0.00 179.01 179.62 2bwt h GLU 180 N 0.42 1.02 -0.29 2.33 5.08 -1.75 -2.41 114.58 118.96 2bwt h GLU 180 Ca 0.12 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 2bwt h GLU 180 Cb 0.02 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2bwt h GLU 180 CO -0.02 0.67 -0.25 0.82 -1.00 0.00 0.00 179.01 179.23 2bwt h ILE 181 N 1.05 1.27 -0.66 3.13 2.04 -0.85 0.03 117.51 123.51 2bwt h ILE 181 Ca 0.32 -1.32 -0.08 0.00 1.00 0.00 0.00 64.86 64.78 2bwt h ILE 181 Cb -0.04 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2bwt h ILE 181 CO -0.10 0.42 0.11 0.00 0.00 0.00 0.00 178.15 178.59 2bwt h ALA 182 N 1.22 0.94 -0.17 1.87 0.00 -0.97 0.27 119.26 122.42 2bwt h ALA 182 Ca 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2bwt h ALA 182 Cb 0.71 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2bwt h ALA 182 CO 0.05 0.66 0.02 0.28 0.00 0.00 0.00 179.25 180.26 2bwt h VAL 183 N 1.02 1.23 -0.49 0.00 2.07 -1.08 -2.62 116.25 116.39 2bwt h VAL 183 Ca 0.20 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 2bwt h VAL 183 Cb 0.43 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2bwt h VAL 183 CO 0.01 0.23 0.05 -0.07 0.02 0.00 0.00 177.57 177.81 2bwt h LEU 184 N 0.06 0.74 -0.93 2.57 3.38 -0.76 -1.35 115.31 119.01 2bwt h LEU 184 Ca 0.05 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.95 2bwt h LEU 184 Cb 0.33 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 2bwt h LEU 184 CO 0.00 0.77 0.58 -0.09 0.09 0.00 0.00 178.44 179.80 2bwt h ARG 185 N 0.74 0.96 -0.05 1.13 2.43 -0.38 0.64 114.38 119.84 2bwt h ARG 185 Ca 0.15 -0.06 -0.24 0.00 -0.81 0.00 0.00 59.98 59.02 2bwt h ARG 185 Cb 0.38 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2bwt h ARG 185 CO 0.01 0.63 -0.93 -0.09 -1.51 0.00 0.00 179.97 178.09 2bwt h ARG 186 N 0.99 0.67 -0.38 0.20 9.65 -1.02 -1.39 114.38 123.09 2bwt h ARG 186 Ca 0.44 -0.65 0.01 0.00 -1.10 0.00 0.00 59.98 58.67 2bwt h ARG 186 Cb 0.32 0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 2bwt h ARG 186 CO -0.22 1.25 0.25 0.00 2.80 0.00 0.00 179.97 184.05 2bwt h ALA 187 N 0.53 1.76 0.14 2.80 0.00 -0.97 0.74 119.26 124.28 2bwt h ALA 187 Ca -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2bwt h ALA 187 Cb 1.56 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2bwt h ALA 187 CO 0.18 0.21 -0.07 0.78 0.00 0.00 0.00 179.25 180.35 2bwt h GLY 188 N 0.49 -0.20 0.88 0.00 0.00 -0.66 -1.62 103.07 101.95 2bwt h GLY 188 Ca 0.14 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.58 2bwt h GLY 188 CO -0.03 -0.07 0.44 0.83 0.00 0.00 0.00 176.54 177.70 2bwt h GLU 189 N -0.35 0.84 -0.21 4.80 5.08 -0.56 -1.04 114.58 123.14 2bwt h GLU 189 Ca -0.02 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2bwt h GLU 189 Cb 0.28 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2bwt h GLU 189 CO 0.03 0.55 -0.04 0.82 -1.00 0.00 0.00 179.01 179.37 2bwt h ILE 190 N 0.86 1.28 -0.26 3.13 2.04 -0.90 -1.17 117.51 122.49 2bwt h ILE 190 Ca 0.28 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2bwt h ILE 190 Cb 0.01 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2bwt h ILE 190 CO -0.11 0.31 0.10 0.74 0.00 0.00 0.00 178.15 179.20 2bwt h THR 191 N 0.14 1.18 -0.84 -0.27 2.02 -1.13 -2.46 112.91 111.54 2bwt h THR 191 Ca 0.06 -0.56 0.07 0.00 0.77 0.00 0.00 66.41 66.75 2bwt h THR 191 Cb 0.49 1.05 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 2bwt h THR 191 CO 0.02 0.19 0.51 0.00 0.37 0.00 0.00 175.52 176.61 2bwt h ALA 192 N 0.94 1.17 -0.31 6.16 0.00 -1.15 -1.98 119.26 124.09 2bwt h ALA 192 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2bwt h ALA 192 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2bwt h ALA 192 CO -0.01 0.21 0.03 0.52 0.00 0.00 0.00 179.25 180.00 2bwt h MET 193 N 0.91 0.46 -0.25 0.00 2.07 -0.90 -1.31 114.93 115.91 2bwt h MET 193 Ca 0.38 -0.08 -0.07 0.00 -2.07 0.00 0.00 59.70 57.86 2bwt h MET 193 Cb 0.23 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.88 2bwt h MET 193 CO -0.20 0.47 -0.10 0.00 1.07 0.00 0.00 176.91 178.16 2bwt h ALA 194 N 1.58 0.35 -0.27 6.32 0.00 -0.95 -2.15 119.26 124.15 2bwt h ALA 194 Ca 0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2bwt h ALA 194 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2bwt h ALA 194 CO 0.00 0.19 -0.05 0.45 0.00 0.00 0.00 179.25 179.84 2bwt h HIS 195 N 0.25 0.44 -0.43 0.00 3.86 -1.00 -0.17 115.15 118.10 2bwt h HIS 195 Ca 0.06 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 2bwt h HIS 195 Cb 0.59 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 2bwt h HIS 195 CO 0.06 0.48 -0.03 1.15 0.86 0.00 0.00 177.93 180.45 2bwt h THR 196 N 0.41 1.27 -0.74 2.45 2.02 -1.19 -2.12 112.91 115.00 2bwt h THR 196 Ca 0.09 -1.08 -0.05 0.00 0.77 0.00 0.00 66.41 66.13 2bwt h THR 196 Cb 0.36 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 2bwt h THR 196 CO 0.02 0.37 0.25 -0.09 0.37 0.00 0.00 175.52 176.44 2bwt h ARG 197 N 0.61 1.12 -0.36 6.66 2.43 -0.87 -0.61 114.38 123.36 2bwt h ARG 197 Ca 0.12 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2bwt h ARG 197 Cb 0.53 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2bwt h ARG 197 CO 0.03 0.94 0.22 0.00 -1.51 0.00 0.00 179.97 179.65 2bwt h ALA 198 N 1.18 0.46 -0.87 2.80 0.00 -0.94 -0.30 119.26 121.60 2bwt h ALA 198 Ca 0.24 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.12 2bwt h ALA 198 Cb 0.27 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2bwt h ALA 198 CO -0.01 -0.05 0.57 0.52 0.00 0.00 0.00 179.25 180.28 2bwt h MET 199 N 0.48 1.12 0.00 0.00 2.86 -0.92 -2.09 114.93 116.37 2bwt h MET 199 Ca 0.13 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 2bwt h MET 199 Cb -0.00 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 2bwt h MET 199 CO -0.03 0.74 -0.43 0.93 1.06 0.00 0.00 176.91 179.19 2bwt h GLU 200 N 1.15 0.00 0.00 1.72 5.08 -0.79 -3.31 114.58 118.43 2bwt h GLU 200 Ca 0.33 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.53 2bwt h GLU 200 Cb -0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2bwt h GLU 200 CO -0.09 0.43 -1.47 1.63 -1.00 0.00 0.00 179.01 178.51 2bwt n LYS 201 N -3.48 0.62 -1.87 2.33 4.76 -0.15 -4.75 118.16 115.62 2bwt n LYS 201 Ca 0.00 0.19 -0.42 0.00 -2.87 0.00 0.00 58.31 55.21 2bwt n LYS 201 Cb 0.57 -1.78 -0.03 0.00 -1.84 0.00 0.00 35.03 31.95 2bwt n LYS 201 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bwt s ARG 203 N 3.52 1.27 0.33 0.00 1.81 -1.26 -4.94 118.95 119.68 2bwt s ARG 203 Ca 0.78 -1.37 -0.29 0.00 -1.72 0.00 0.00 55.73 53.14 2bwt s ARG 203 Cb -0.39 -1.40 -0.11 0.00 -0.45 0.00 0.00 34.95 32.60 2bwt s ARG 203 CO 0.34 0.30 1.50 -2.14 -0.68 0.00 0.00 175.30 174.62 2bwt s PRO 204 N -2.58 4.15 0.00 3.54 0.02 -1.26 -2.54 135.00 136.33 2bwt s PRO 204 Ca 0.14 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.68 2bwt s PRO 204 Cb -0.07 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.44 2bwt s PRO 204 CO 0.06 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.62 2bwt n GLY 205 N 1.23 2.26 3.76 0.52 0.00 -0.24 -4.98 105.19 107.74 2bwt n GLY 205 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2bwt n GLY 205 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bwt s MET 206 N -0.11 2.74 0.32 1.61 -1.94 -1.05 -4.66 119.30 116.21 2bwt s MET 206 Ca 0.00 1.47 -0.04 0.00 -1.71 0.00 0.00 55.69 55.41 2bwt s MET 206 Cb 0.00 -1.94 -0.05 0.00 2.01 0.00 0.00 34.83 34.86 2bwt s MET 206 CO 0.00 -1.31 0.58 -0.06 -0.01 0.00 0.00 175.02 174.22 2bwt s PHE 207 N -2.23 3.49 0.29 -0.03 0.40 -1.26 -0.13 117.98 118.50 2bwt s PHE 207 Ca 0.69 0.63 0.03 0.00 -0.60 0.00 0.00 56.93 57.68 2bwt s PHE 207 Cb -0.22 -2.11 0.63 0.00 0.51 0.00 0.00 43.02 41.83 2bwt s PHE 207 CO 0.41 0.11 1.81 0.93 0.70 0.00 0.00 175.22 179.18 2bwt h GLU 208 N 1.40 0.86 0.00 0.44 5.08 -1.15 -1.32 114.58 119.90 2bwt h GLU 208 Ca -0.48 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 57.78 2bwt h GLU 208 Cb 1.20 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2bwt h GLU 208 CO 0.65 0.57 -0.21 0.10 -1.00 0.00 0.00 179.01 179.11 2bwt h TYR 209 N 0.89 0.00 -0.90 4.33 -0.00 -1.39 -2.76 116.97 117.14 2bwt h TYR 209 Ca 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 59.26 2bwt h TYR 209 Cb 0.66 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.35 2bwt h TYR 209 CO -0.01 0.21 0.54 0.45 -0.00 0.00 0.00 178.16 179.36 2bwt h HIS 210 N 0.00 1.18 0.00 0.10 3.86 -1.54 -1.42 115.15 117.33 2bwt h HIS 210 Ca -0.00 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 2bwt h HIS 210 Cb 0.49 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 2bwt h HIS 210 CO 0.00 0.78 -0.42 -0.07 0.86 0.00 0.00 177.93 179.08 2bwt h LEU 211 N 1.24 0.00 -0.08 2.43 3.38 -1.56 -2.21 115.31 118.51 2bwt h LEU 211 Ca 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 2bwt h LEU 211 Cb -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2bwt h LEU 211 CO -0.06 0.42 0.05 -0.08 0.09 0.00 0.00 178.44 178.86 2bwt h GLU 212 N 0.00 0.11 -0.73 1.13 4.81 -1.23 -1.60 114.58 117.07 2bwt h GLU 212 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2bwt h GLU 212 Cb 0.78 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 2bwt h GLU 212 CO 0.05 0.10 0.47 0.78 -0.73 0.00 0.00 179.01 179.69 2bwt h GLY 213 N 0.08 1.03 1.01 1.92 0.00 -1.07 -0.35 103.07 105.69 2bwt h GLY 213 Ca 0.03 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 2bwt h GLY 213 CO -0.01 0.38 0.14 0.83 0.00 0.00 0.00 176.54 177.88 2bwt h GLU 214 N 0.99 0.94 -0.21 4.80 4.39 -1.27 -1.78 114.58 122.45 2bwt h GLU 214 Ca 0.27 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 2bwt h GLU 214 Cb -0.10 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 2bwt h GLU 214 CO -0.06 0.87 -0.09 0.82 -1.16 0.00 0.00 179.01 179.40 2bwt h ILE 215 N 0.85 1.30 -0.39 3.13 2.04 -0.55 -2.47 117.51 121.43 2bwt h ILE 215 Ca 0.18 -1.14 -0.07 0.00 1.00 0.00 0.00 64.86 64.83 2bwt h ILE 215 Cb 0.36 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2bwt h ILE 215 CO 0.00 0.35 -0.05 0.45 0.00 0.00 0.00 178.15 178.90 2bwt h HIS 216 N 0.14 0.68 -0.64 1.37 3.86 -1.08 -1.02 115.15 118.45 2bwt h HIS 216 Ca 0.05 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 2bwt h HIS 216 Cb 0.57 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 2bwt h HIS 216 CO 0.06 0.68 0.12 1.25 0.86 0.00 0.00 177.93 180.90 2bwt h HIS 217 N 0.60 1.08 -0.14 2.45 -0.00 -1.26 -1.00 115.15 116.88 2bwt h HIS 217 Ca 0.12 -0.13 -0.03 0.00 -0.00 0.00 0.00 60.37 60.32 2bwt h HIS 217 Cb 0.45 -0.30 -0.00 0.00 -0.00 0.00 0.00 27.41 27.56 2bwt h HIS 217 CO 0.02 0.91 -0.03 1.49 -0.00 0.00 0.00 177.93 180.31 2bwt h GLU 218 N 0.97 0.27 -0.51 5.26 4.57 -0.94 -1.07 114.58 123.14 2bwt h GLU 218 Ca 0.20 -0.10 0.10 0.00 -1.18 0.00 0.00 59.36 58.37 2bwt h GLU 218 Cb 0.40 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.88 2bwt h GLU 218 CO 0.01 0.55 -0.02 0.74 -1.18 0.00 0.00 179.01 179.11 2bwt h PHE 219 N -0.03 -0.07 -0.38 0.92 0.04 -1.07 -2.74 116.94 113.61 2bwt h PHE 219 Ca 0.04 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 2bwt h PHE 219 Cb 0.45 0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 2bwt h PHE 219 CO 0.05 -0.14 0.17 -0.97 -0.60 0.00 0.00 178.31 176.82 2bwt h ASN 220 N 0.09 0.51 0.64 2.17 -0.73 -0.96 0.49 115.58 117.79 2bwt h ASN 220 Ca 0.25 -0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.26 2bwt h ASN 220 Cb 0.39 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.84 2bwt h ASN 220 CO -0.44 0.51 -0.12 0.08 -0.37 0.00 0.00 177.43 177.09 2bwt h ARG 221 N 0.47 0.00 -0.38 6.67 0.11 -0.90 -0.32 114.38 120.03 2bwt h ARG 221 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 2bwt h ARG 221 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 2bwt h ARG 221 CO -0.01 0.12 0.00 0.72 0.10 0.00 0.00 179.97 180.89 2bwt n HIS 222 N -3.39 0.50 -1.18 4.08 8.25 -1.09 -4.92 115.22 117.47 2bwt n HIS 222 Ca -0.01 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 2bwt n HIS 222 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 2bwt n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bwt n GLY 223 N 1.16 0.56 3.11 -1.41 0.00 -0.13 -5.01 105.19 103.46 2bwt n GLY 223 Ca 0.14 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 2bwt n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bwt s ALA 224 N -2.00 3.71 0.18 4.61 0.00 0.14 -4.80 121.76 123.59 2bwt s ALA 224 Ca 0.00 -3.37 -0.11 0.00 0.00 0.00 0.00 51.96 48.48 2bwt s ALA 224 Cb 0.00 -2.73 0.08 0.00 0.00 0.00 0.00 23.12 20.46 2bwt s ALA 224 CO 0.00 -2.13 1.70 0.00 0.00 0.00 0.00 175.76 175.33 2bwt h ARG 225 N 6.89 0.95 -6.46 0.00 3.08 -1.78 -3.06 114.38 114.01 2bwt h ARG 225 Ca 0.02 -0.21 -0.63 0.00 0.07 0.00 0.00 59.98 59.23 2bwt h ARG 225 Cb 0.93 -0.14 -0.15 0.00 0.08 0.00 0.00 29.97 30.70 2bwt h ARG 225 CO 0.73 0.85 -0.74 0.71 -1.07 0.00 0.00 179.97 180.45 2bwt s TYR 226 N -5.40 2.55 0.79 3.04 2.02 -1.26 -4.75 117.35 114.34 2bwt s TYR 226 Ca -0.13 -0.26 -0.12 0.00 -0.37 0.00 0.00 57.07 56.20 2bwt s TYR 226 Cb 0.13 -1.24 0.07 0.00 -0.40 0.00 0.00 41.96 40.52 2bwt s TYR 226 CO 0.81 0.52 1.11 -2.14 -1.57 0.00 0.00 175.55 174.28 2bwt s PRO 227 N -2.86 2.13 0.29 -1.71 0.02 -1.26 -1.84 135.00 129.77 2bwt s PRO 227 Ca 0.24 0.53 0.15 0.00 0.02 0.00 0.00 61.00 61.94 2bwt s PRO 227 Cb -0.08 -1.93 0.18 0.00 0.02 0.00 0.00 34.50 32.68 2bwt s PRO 227 CO 0.14 -1.56 1.50 0.66 -0.33 0.00 0.00 177.00 177.41 2bwt h SER 228 N -1.04 0.00 -5.05 2.53 4.64 -0.98 -3.40 113.55 110.25 2bwt h SER 228 Ca -0.47 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 2bwt h SER 228 Cb 1.28 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.25 2bwt h SER 228 CO 0.61 0.50 0.07 -0.72 -0.87 0.00 0.00 176.83 176.42 2bwt s TYR 229 N -3.07 -0.31 -0.08 4.77 1.13 -1.26 -4.75 117.35 113.77 2bwt s TYR 229 Ca 0.03 0.02 -0.29 0.00 -1.41 0.00 0.00 57.07 55.42 2bwt s TYR 229 Cb 0.08 0.42 -0.07 0.00 -1.10 0.00 0.00 41.96 41.30 2bwt s TYR 229 CO 0.74 -0.83 2.07 -0.80 -2.51 0.00 0.00 175.55 174.21 2bwt s ASN 230 N -2.80 6.01 0.34 -0.18 0.01 -1.26 -4.68 114.94 112.38 2bwt s ASN 230 Ca 0.04 2.30 -0.29 0.00 -0.71 0.00 0.00 52.86 54.20 2bwt s ASN 230 Cb -0.00 -2.52 -0.11 0.00 0.41 0.00 0.00 41.25 39.03 2bwt s ASN 230 CO -0.10 -1.46 1.45 -0.89 -1.51 0.00 0.00 177.10 174.59 2bwt s THR 231 N 6.17 2.28 -0.16 1.60 2.01 -1.26 -4.96 115.64 121.32 2bwt s THR 231 Ca 0.93 0.28 -0.02 0.00 0.31 0.00 0.00 61.69 63.19 2bwt s THR 231 Cb -0.38 -3.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 2bwt s THR 231 CO 0.38 0.06 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.65 2bwt s ILE 232 N -0.89 3.19 -0.44 1.82 1.01 -0.22 -4.68 121.20 120.99 2bwt s ILE 232 Ca 0.54 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.61 2bwt s ILE 232 Cb -0.44 -2.38 0.13 0.00 0.01 0.00 0.00 42.46 39.78 2bwt s ILE 232 CO 0.57 0.49 0.24 -0.69 0.00 0.00 0.00 174.94 175.55 2bwt s VAL 233 N 0.71 1.42 -0.48 2.92 1.01 -1.26 -0.56 120.40 124.16 2bwt s VAL 233 Ca -0.05 -2.56 -0.11 0.00 0.00 0.00 0.00 61.98 59.26 2bwt s VAL 233 Cb -0.15 -2.00 0.11 0.00 0.00 0.00 0.00 36.38 34.35 2bwt s VAL 233 CO 0.02 -0.89 0.38 -0.83 0.00 0.00 0.00 175.10 173.78 2bwt s GLY 234 N 0.35 2.04 0.19 4.51 0.00 0.53 -4.59 107.32 110.37 2bwt s GLY 234 Ca 0.18 -2.47 -0.05 0.00 0.00 0.00 0.00 44.72 42.37 2bwt s GLY 234 CO 0.00 1.11 0.44 -1.35 0.00 0.00 0.00 173.10 173.31 2bwt s SER 235 N 2.84 6.50 0.70 1.64 1.04 -1.26 -0.43 113.70 124.73 2bwt s SER 235 Ca 0.05 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.13 2bwt s SER 235 Cb -0.27 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2bwt s SER 235 CO 0.01 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2bwt n GLY 236 N -0.24 2.47 0.32 7.32 0.00 0.07 -2.00 105.19 113.14 2bwt n GLY 236 Ca -0.02 -0.32 0.21 0.00 0.00 0.00 0.00 46.02 45.88 2bwt n GLY 236 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bwt h GLU 237 N 0.00 0.00 0.00 1.61 5.08 -1.92 -1.28 114.58 118.07 2bwt h GLU 237 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bwt h GLU 237 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2bwt h GLU 237 CO 0.00 0.00 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.10 2bwt h ASN 238 N 0.00 0.00 0.81 1.42 2.35 -1.71 -2.52 115.58 115.92 2bwt h ASN 238 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2bwt h ASN 238 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2bwt h ASN 238 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 2bwt n GLY 239 N -0.93 -1.28 0.10 2.83 0.00 -0.48 -2.84 105.19 102.59 2bwt n GLY 239 Ca -0.02 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.11 2bwt n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bwt s ILE 241 N -2.26 4.10 0.32 0.00 1.01 -1.13 -5.01 121.20 118.23 2bwt s ILE 241 Ca 0.37 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2bwt s ILE 241 Cb 0.21 -3.25 0.23 0.00 0.01 0.00 0.00 42.46 39.65 2bwt s ILE 241 CO 0.42 -0.12 1.94 -0.07 0.00 0.00 0.00 174.94 177.11 2bwt h LEU 242 N 8.29 0.77 -5.87 2.97 3.38 -1.88 -2.92 115.31 120.06 2bwt h LEU 242 Ca -0.26 -0.06 -0.62 0.00 0.09 0.00 0.00 57.88 57.03 2bwt h LEU 242 Cb 1.10 -0.19 -0.40 0.00 0.09 0.00 0.00 40.66 41.25 2bwt h LEU 242 CO 0.62 0.62 -0.44 1.57 0.09 0.00 0.00 178.44 180.90 2bwt n HIS 243 N -4.38 3.70 -3.16 1.13 -0.00 -1.26 -5.02 115.22 106.22 2bwt n HIS 243 Ca 0.06 -3.91 -0.43 0.00 -0.00 0.00 0.00 57.72 53.44 2bwt n HIS 243 Cb 0.10 -0.61 -0.07 0.00 -0.00 0.00 0.00 29.99 29.41 2bwt n HIS 243 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 2bwt s TYR 244 N -3.02 3.10 0.00 1.57 5.04 -1.11 -4.91 117.35 118.02 2bwt s TYR 244 Ca 0.43 -0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.97 2bwt s TYR 244 Cb 0.20 -3.22 0.00 0.00 0.35 0.00 0.00 41.96 39.29 2bwt s TYR 244 CO -0.06 -0.81 0.65 0.25 -1.34 0.00 0.00 175.55 174.24 2bwt n THR 245 N 5.73 0.41 -0.30 4.34 -2.24 -1.26 -4.11 114.28 116.86 2bwt n THR 245 Ca -0.03 -0.58 -0.05 0.00 -2.27 0.00 0.00 64.05 61.12 2bwt n THR 245 Cb 0.48 0.90 0.08 0.00 -2.10 0.00 0.00 70.33 69.69 2bwt n THR 245 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2bwt h GLU 246 N 0.00 1.20 -6.33 -0.78 3.07 -1.90 -3.46 114.58 106.38 2bwt h GLU 246 Ca 0.00 -0.20 -0.48 0.00 -0.50 0.00 0.00 59.36 58.18 2bwt h GLU 246 Cb 0.40 -0.20 -0.18 0.00 -0.84 0.00 0.00 28.75 27.93 2bwt h GLU 246 CO 0.00 0.95 -0.72 0.09 -1.40 0.00 0.00 179.01 177.93 2bwt n ASN 247 N -4.29 -3.23 -0.45 1.42 3.02 -1.26 -4.82 115.26 105.65 2bwt n ASN 247 Ca 0.08 -0.78 0.09 0.00 -0.03 0.00 0.00 54.58 53.94 2bwt n ASN 247 Cb 0.17 -2.67 0.00 0.00 -0.61 0.00 0.00 39.78 36.68 2bwt n ASN 247 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2bwt n GLU 248 N -4.08 1.51 -3.78 3.52 0.28 -1.26 -1.10 120.64 115.73 2bwt n GLU 248 Ca 0.05 -0.95 -0.33 0.00 -0.16 0.00 0.00 57.16 55.77 2bwt n GLU 248 Cb 0.50 -1.36 -0.05 0.00 1.43 0.00 0.00 31.44 31.96 2bwt n GLU 248 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2bwt s GLU 250 N -2.20 4.32 -0.10 0.00 2.12 -1.26 -0.86 118.70 120.71 2bwt s GLU 250 Ca 0.33 2.19 -0.22 0.00 0.36 0.00 0.00 54.97 57.63 2bwt s GLU 250 Cb -0.13 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 2bwt s GLU 250 CO 0.21 -0.35 0.66 -1.64 -0.54 0.00 0.00 175.26 173.60 2bwt s MET 251 N -0.17 4.38 -0.07 4.30 -1.94 0.81 -4.88 119.30 121.73 2bwt s MET 251 Ca 0.59 0.77 -0.03 0.00 -1.71 0.00 0.00 55.69 55.31 2bwt s MET 251 Cb -0.39 -3.48 -0.04 0.00 2.01 0.00 0.00 34.83 32.93 2bwt s MET 251 CO 0.40 0.00 0.08 1.03 -0.01 0.00 0.00 175.02 176.53 2bwt s ARG 252 N 1.04 3.18 0.12 2.03 1.81 -1.26 -1.08 118.95 124.78 2bwt s ARG 252 Ca 0.34 -0.34 -0.31 0.00 -1.72 0.00 0.00 55.73 53.70 2bwt s ARG 252 Cb -0.17 -2.95 -0.09 0.00 -0.45 0.00 0.00 34.95 31.29 2bwt s ARG 252 CO 0.15 0.71 1.61 0.34 -0.68 0.00 0.00 175.30 177.43 2bwt s ASP 253 N -1.26 6.59 0.00 0.23 -1.08 -1.26 -2.20 116.67 117.69 2bwt s ASP 253 Ca 0.18 2.56 0.00 0.00 -0.52 0.00 0.00 52.55 54.76 2bwt s ASP 253 Cb -0.12 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 2bwt s ASP 253 CO 0.07 -0.86 0.00 0.61 0.52 0.00 0.00 175.17 175.52 2bwt n GLY 254 N 3.88 2.25 3.79 2.66 0.00 -1.26 -5.01 105.19 111.50 2bwt n GLY 254 Ca 0.15 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 2bwt n GLY 254 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bwt s ASP 255 N -0.04 5.45 0.53 1.61 1.01 -0.94 -4.91 116.67 119.39 2bwt s ASP 255 Ca 0.00 1.83 -0.04 0.00 0.71 0.00 0.00 52.55 55.05 2bwt s ASP 255 Cb 0.00 -2.53 -0.00 0.00 1.01 0.00 0.00 42.92 41.40 2bwt s ASP 255 CO 0.00 -1.39 0.82 -0.76 0.21 0.00 0.00 175.17 174.04 2bwt s LEU 256 N -4.87 3.43 -0.06 1.23 1.43 -1.26 -1.77 118.68 116.80 2bwt s LEU 256 Ca 0.63 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.39 2bwt s LEU 256 Cb -0.17 -3.52 0.02 0.00 0.03 0.00 0.00 46.19 42.55 2bwt s LEU 256 CO 0.42 -0.86 -0.03 0.54 0.23 0.00 0.00 176.35 176.65 2bwt s VAL 257 N -2.83 0.53 -0.32 -1.59 0.11 0.25 -0.75 120.40 115.80 2bwt s VAL 257 Ca 0.51 -0.05 -0.13 0.00 -2.93 0.00 0.00 61.98 59.37 2bwt s VAL 257 Cb -0.10 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 2bwt s VAL 257 CO 0.43 0.25 0.28 -0.22 -3.33 0.00 0.00 175.10 172.52 2bwt s LEU 258 N 1.37 4.33 -0.24 2.54 0.20 0.42 -1.57 118.68 125.74 2bwt s LEU 258 Ca -0.04 -0.19 -0.06 0.00 0.69 0.00 0.00 54.13 54.53 2bwt s LEU 258 Cb -0.13 -2.23 -0.02 0.00 -0.43 0.00 0.00 46.19 43.38 2bwt s LEU 258 CO -0.03 -0.22 0.02 -0.63 -0.29 0.00 0.00 176.35 175.20 2bwt s ILE 259 N 1.86 3.86 -0.30 6.68 1.01 0.02 -0.34 121.20 133.98 2bwt s ILE 259 Ca 0.09 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.44 2bwt s ILE 259 Cb -0.17 -2.79 0.08 0.00 0.01 0.00 0.00 42.46 39.59 2bwt s ILE 259 CO 0.11 0.37 -0.03 0.00 0.00 0.00 0.00 174.94 175.40 2bwt s ALA 260 N 1.55 2.74 0.03 9.38 0.00 0.28 -1.07 121.76 134.67 2bwt s ALA 260 Ca 0.06 -2.11 0.01 0.00 0.00 0.00 0.00 51.96 49.92 2bwt s ALA 260 Cb -0.15 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 2bwt s ALA 260 CO 0.00 -1.43 -0.06 0.00 0.00 0.00 0.00 175.76 174.28 2bwt s ALA 261 N 1.03 0.38 -0.08 0.00 0.00 -0.76 -1.06 121.76 121.28 2bwt s ALA 261 Ca 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 2bwt s ALA 261 Cb -0.20 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.04 2bwt s ALA 261 CO -0.06 -0.10 0.21 0.20 0.00 0.00 0.00 175.76 176.02 2bwt s GLY 262 N -1.59 -0.16 0.53 0.00 0.00 -1.26 -1.87 107.32 102.98 2bwt s GLY 262 Ca -0.12 0.58 -0.01 0.00 0.00 0.00 0.00 44.72 45.18 2bwt s GLY 262 CO -0.01 0.50 0.77 0.00 0.00 0.00 0.00 173.10 174.37 2bwt s GLU 264 N -4.76 2.18 -0.15 0.00 2.12 -0.77 -1.56 118.70 115.76 2bwt s GLU 264 Ca 0.53 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 55.04 2bwt s GLU 264 Cb -0.10 -2.40 0.03 0.00 0.26 0.00 0.00 34.13 31.92 2bwt s GLU 264 CO 0.40 -0.38 -0.10 -0.47 -0.54 0.00 0.00 175.26 174.17 2bwt s TYR 265 N 1.38 1.94 -1.35 5.30 5.04 0.23 -4.27 117.35 125.62 2bwt s TYR 265 Ca -0.00 -1.14 -0.07 0.00 -2.44 0.00 0.00 57.07 53.41 2bwt s TYR 265 Cb -0.16 -1.45 0.05 0.00 0.35 0.00 0.00 41.96 40.75 2bwt s TYR 265 CO -0.09 -0.63 0.48 1.63 -1.34 0.00 0.00 175.55 175.60 2bwt n LYS 266 N 4.82 -3.74 0.00 4.97 4.76 -1.26 -1.13 118.16 126.58 2bwt n LYS 266 Ca -0.14 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 2bwt n LYS 266 Cb 0.49 -5.37 0.00 0.00 -1.84 0.00 0.00 35.03 28.31 2bwt n LYS 266 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bwt n GLY 267 N -1.25 3.21 3.89 0.72 0.00 -1.26 -4.99 105.19 105.52 2bwt n GLY 267 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 2bwt n GLY 267 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bwt s TYR 268 N -2.04 3.46 -0.17 1.61 1.51 -0.28 -4.45 117.35 117.00 2bwt s TYR 268 Ca 0.00 0.61 -0.06 0.00 -1.01 0.00 0.00 57.07 56.61 2bwt s TYR 268 Cb 0.00 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 2bwt s TYR 268 CO 0.00 0.40 0.02 0.00 -1.11 0.00 0.00 175.55 174.86 2bwt s ALA 269 N -1.70 3.26 0.30 3.71 0.00 -0.08 -0.60 121.76 126.66 2bwt s ALA 269 Ca 0.42 -0.77 -0.07 0.00 0.00 0.00 0.00 51.96 51.54 2bwt s ALA 269 Cb -0.12 -1.77 -0.06 0.00 0.00 0.00 0.00 23.12 21.17 2bwt s ALA 269 CO 0.24 0.22 0.60 0.20 0.00 0.00 0.00 175.76 177.02 2bwt s GLY 270 N 0.29 1.98 -0.28 0.00 0.00 -0.60 -4.62 107.32 104.09 2bwt s GLY 270 Ca 0.01 -0.41 0.01 0.00 0.00 0.00 0.00 44.72 44.33 2bwt s GLY 270 CO 0.01 -0.28 0.46 -0.35 0.00 0.00 0.00 173.10 172.94 2bwt s ASP 271 N -2.97 -0.28 0.02 1.64 2.15 -1.26 -3.61 116.67 112.36 2bwt s ASP 271 Ca 0.46 0.03 0.07 0.00 0.43 0.00 0.00 52.55 53.55 2bwt s ASP 271 Cb -0.11 1.43 -0.02 0.00 -0.30 0.00 0.00 42.92 43.93 2bwt s ASP 271 CO 0.28 -0.32 -0.21 -0.63 -0.17 0.00 0.00 175.17 174.12 2bwt s ILE 272 N 2.64 1.67 -0.07 4.11 1.01 -0.78 -4.43 121.20 125.35 2bwt s ILE 272 Ca 0.12 -1.07 0.04 0.00 0.00 0.00 0.00 60.65 59.74 2bwt s ILE 272 Cb -0.13 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 40.92 2bwt s ILE 272 CO -0.25 0.32 -0.20 -0.89 0.00 0.00 0.00 174.94 173.91 2bwt s THR 273 N -0.67 1.73 -0.01 2.92 2.01 -1.17 -1.82 115.64 118.64 2bwt s THR 273 Ca 0.08 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.23 2bwt s THR 273 Cb -0.08 -1.50 -0.00 0.00 0.01 0.00 0.00 72.50 70.93 2bwt s THR 273 CO 0.01 0.49 -0.04 -0.13 -0.69 0.00 0.00 174.62 174.26 2bwt s ARG 274 N 0.17 0.36 -0.02 4.92 1.81 -0.23 -0.80 118.95 125.15 2bwt s ARG 274 Ca -0.10 -0.14 0.08 0.00 -1.72 0.00 0.00 55.73 53.85 2bwt s ARG 274 Cb -0.15 -0.36 -0.02 0.00 -0.45 0.00 0.00 34.95 33.97 2bwt s ARG 274 CO 0.05 0.07 -0.25 0.99 -0.68 0.00 0.00 175.30 175.47 2bwt s THR 275 N 0.01 2.10 0.14 0.02 2.01 -1.22 -0.80 115.64 117.89 2bwt s THR 275 Ca 0.00 -1.09 -0.24 0.00 0.31 0.00 0.00 61.69 60.68 2bwt s THR 275 Cb -0.03 -1.72 0.07 0.00 0.01 0.00 0.00 72.50 70.83 2bwt s THR 275 CO -0.00 0.58 0.64 0.72 -0.69 0.00 0.00 174.62 175.87 2bwt s PHE 276 N -0.60 -0.51 0.15 4.92 -0.71 -0.61 -4.95 117.98 115.67 2bwt s PHE 276 Ca 0.09 0.31 -0.31 0.00 -1.04 0.00 0.00 56.93 55.98 2bwt s PHE 276 Cb -0.10 0.56 -0.08 0.00 -1.21 0.00 0.00 43.02 42.19 2bwt s PHE 276 CO -0.01 -0.81 1.32 -1.25 -1.34 0.00 0.00 175.22 173.13 2bwt s PRO 277 N -3.67 4.37 0.45 1.99 0.04 -1.26 -0.59 135.00 136.34 2bwt s PRO 277 Ca 0.02 2.02 0.14 0.00 0.04 0.00 0.00 61.00 63.22 2bwt s PRO 277 Cb -0.01 -3.23 1.07 0.00 0.04 0.00 0.00 34.50 32.37 2bwt s PRO 277 CO -0.12 -0.32 2.03 0.28 0.04 0.00 0.00 177.00 178.91 2bwt h VAL 278 N 4.02 0.95 -0.55 -0.36 2.07 -1.63 -1.92 116.25 118.83 2bwt h VAL 278 Ca -0.43 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2bwt h VAL 278 Cb 1.21 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2bwt h VAL 278 CO 0.81 0.06 0.00 -0.46 0.02 0.00 0.00 177.57 178.00 2bwt n ASN 279 N -4.47 3.07 0.00 0.57 0.23 -1.26 -4.14 115.26 109.25 2bwt n ASN 279 Ca 0.06 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.12 2bwt n ASN 279 Cb 0.27 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.60 2bwt n ASN 279 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bwt n GLY 280 N 1.42 0.87 2.72 4.83 0.00 -0.72 -5.00 105.19 109.30 2bwt n GLY 280 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 2bwt n GLY 280 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bwt s LYS 281 N -0.02 0.35 0.25 1.61 2.47 -1.26 -4.46 119.74 118.68 2bwt s LYS 281 Ca 0.00 0.09 -0.30 0.00 -1.56 0.00 0.00 55.97 54.20 2bwt s LYS 281 Cb 0.00 -1.10 -0.09 0.00 -1.46 0.00 0.00 37.83 35.17 2bwt s LYS 281 CO 0.00 -0.40 1.30 -0.06 0.16 0.00 0.00 175.35 176.35 2bwt s PHE 282 N 2.03 3.20 0.84 4.03 0.08 -1.26 -4.82 117.98 122.08 2bwt s PHE 282 Ca 0.04 1.32 -0.12 0.00 0.12 0.00 0.00 56.93 58.28 2bwt s PHE 282 Cb -0.13 -3.61 0.10 0.00 -0.57 0.00 0.00 43.02 38.80 2bwt s PHE 282 CO -0.05 -1.80 1.18 0.95 -0.10 0.00 0.00 175.22 175.40 2bwt s THR 283 N -0.43 2.00 0.11 0.64 -4.23 -1.26 -4.86 115.64 107.61 2bwt s THR 283 Ca 0.53 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.86 2bwt s THR 283 Cb -0.38 -2.96 -0.05 0.00 1.34 0.00 0.00 72.50 70.45 2bwt s THR 283 CO 0.44 0.00 1.68 -0.61 -0.54 0.00 0.00 174.62 175.58 2bwt h GLN 284 N -1.17 0.41 -0.87 3.99 4.15 -1.99 -0.23 115.11 119.41 2bwt h GLN 284 Ca -0.46 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 58.91 2bwt h GLN 284 Cb 1.32 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.90 2bwt h GLN 284 CO 0.63 0.41 0.58 0.00 -1.93 0.00 0.00 178.83 178.52 2bwt h ALA 285 N 0.98 1.40 -0.08 3.38 0.00 -1.95 -0.11 119.26 122.89 2bwt h ALA 285 Ca 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2bwt h ALA 285 Cb 0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2bwt h ALA 285 CO -0.01 0.54 -0.02 1.96 0.00 0.00 0.00 179.25 181.71 2bwt h GLN 286 N 1.15 0.15 -0.85 0.00 4.20 -1.83 -2.91 115.11 115.02 2bwt h GLN 286 Ca 0.33 -0.06 0.10 0.00 0.06 0.00 0.00 58.65 59.08 2bwt h GLN 286 Cb -0.08 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.62 2bwt h GLN 286 CO -0.08 0.49 0.50 0.00 -0.67 0.00 0.00 178.83 179.06 2bwt h ARG 287 N -0.20 0.80 -0.53 1.46 2.47 -0.68 0.23 114.38 117.94 2bwt h ARG 287 Ca 0.02 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.64 2bwt h ARG 287 Cb 0.43 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 2bwt h ARG 287 CO 0.01 0.53 0.13 0.93 0.56 0.00 0.00 179.97 182.12 2bwt h GLU 288 N 0.82 0.80 0.23 0.04 5.08 -0.99 0.26 114.58 120.83 2bwt h GLU 288 Ca 0.41 -0.16 -0.33 0.00 -1.00 0.00 0.00 59.36 58.29 2bwt h GLU 288 Cb 0.39 -0.12 0.03 0.00 0.50 0.00 0.00 28.75 29.54 2bwt h GLU 288 CO -0.25 0.72 -1.45 0.82 -1.00 0.00 0.00 179.01 177.85 2bwt h ILE 289 N 0.78 1.31 -0.69 3.13 1.08 -1.26 -3.34 117.51 118.52 2bwt h ILE 289 Ca 0.17 -2.77 -0.04 0.00 -0.39 0.00 0.00 64.86 61.83 2bwt h ILE 289 Cb 0.28 3.02 -0.03 0.00 -3.07 0.00 0.00 36.82 37.02 2bwt h ILE 289 CO -0.00 0.83 0.26 0.22 -0.69 0.00 0.00 178.15 178.76 2bwt h TYR 290 N 0.13 1.06 0.00 1.37 3.20 -0.16 -2.72 116.97 119.86 2bwt h TYR 290 Ca -0.24 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.51 2bwt h TYR 290 Cb 2.13 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 40.09 2bwt h TYR 290 CO 0.12 0.83 -0.16 -0.44 -1.64 0.00 0.00 178.16 176.87 2bwt h ASP 291 N 0.98 0.00 -0.02 -2.11 3.32 -0.63 0.80 116.42 118.77 2bwt h ASP 291 Ca 0.23 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 2bwt h ASP 291 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2bwt h ASP 291 CO -0.02 0.16 -0.26 0.40 -1.72 0.00 0.00 179.24 177.80 2bwt h ILE 292 N 0.00 1.51 -0.71 0.35 2.04 -1.61 -1.56 117.51 117.52 2bwt h ILE 292 Ca -0.00 -1.86 -0.01 0.00 1.00 0.00 0.00 64.86 63.99 2bwt h ILE 292 Cb 0.38 2.63 -0.03 0.00 -0.74 0.00 0.00 36.82 39.06 2bwt h ILE 292 CO 0.02 0.51 0.41 0.58 0.00 0.00 0.00 178.15 179.68 2bwt h VAL 293 N -0.41 1.21 -0.43 1.67 2.07 -1.26 -2.14 116.25 116.95 2bwt h VAL 293 Ca -0.03 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 2bwt h VAL 293 Cb 0.98 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2bwt h VAL 293 CO 0.05 0.23 -0.04 0.25 0.02 0.00 0.00 177.57 178.08 2bwt h LEU 294 N 0.98 0.78 -1.21 2.57 5.85 -0.88 -2.12 115.31 121.29 2bwt h LEU 294 Ca 0.25 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 2bwt h LEU 294 Cb 0.00 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2bwt h LEU 294 CO -0.04 0.92 0.03 -0.08 -0.34 0.00 0.00 178.44 178.93 2bwt h GLU 295 N 0.62 0.58 -0.60 1.25 4.81 -1.18 0.36 114.58 120.43 2bwt h GLU 295 Ca 0.12 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2bwt h GLU 295 Cb 0.55 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2bwt h GLU 295 CO 0.03 0.58 0.36 0.77 -0.73 0.00 0.00 179.01 180.02 2bwt h SER 296 N 0.56 0.72 -0.16 1.04 0.02 -1.14 -1.26 113.55 113.32 2bwt h SER 296 Ca 0.12 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2bwt h SER 296 Cb 0.31 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 2bwt h SER 296 CO 0.01 0.57 -0.05 0.25 -1.14 0.00 0.00 176.83 176.46 2bwt h LEU 297 N 0.81 0.32 -0.85 5.07 5.85 -0.68 -2.03 115.31 123.81 2bwt h LEU 297 Ca 0.21 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 2bwt h LEU 297 Cb -0.01 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2bwt h LEU 297 CO -0.04 0.63 0.17 -0.33 -0.34 0.00 0.00 178.44 178.54 2bwt h GLU 298 N 0.00 1.03 -0.33 1.25 5.08 -0.87 -0.66 114.58 120.08 2bwt h GLU 298 Ca 0.04 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.07 2bwt h GLU 298 Cb 0.50 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2bwt h GLU 298 CO 0.02 0.90 -0.19 1.15 -1.00 0.00 0.00 179.01 179.89 2bwt h THR 299 N 0.98 1.29 -0.76 1.13 2.02 -1.26 -2.32 112.91 113.99 2bwt h THR 299 Ca 0.21 -1.32 0.02 0.00 0.77 0.00 0.00 66.41 66.09 2bwt h THR 299 Cb 0.33 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 2bwt h THR 299 CO -0.00 0.43 0.49 0.28 0.37 0.00 0.00 175.52 177.09 2bwt h SER 300 N 0.49 0.83 0.06 4.18 0.02 -1.08 0.48 113.55 118.53 2bwt h SER 300 Ca 0.07 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 2bwt h SER 300 Cb 0.73 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2bwt h SER 300 CO 0.05 0.59 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.08 2bwt h LEU 301 N 0.98 0.24 -0.34 5.07 3.38 -1.03 0.23 115.31 123.84 2bwt h LEU 301 Ca 0.29 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 2bwt h LEU 301 Cb -0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2bwt h LEU 301 CO -0.09 0.44 -0.52 0.03 0.09 0.00 0.00 178.44 178.39 2bwt h ARG 302 N 0.23 0.85 0.05 1.13 3.08 -0.83 -3.35 114.38 115.54 2bwt h ARG 302 Ca 0.04 -0.52 -0.25 0.00 0.07 0.00 0.00 59.98 59.32 2bwt h ARG 302 Cb 0.46 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2bwt h ARG 302 CO 0.03 1.16 -1.19 -0.07 -1.07 0.00 0.00 179.97 178.83 2bwt h LEU 303 N 0.66 0.16 -9.40 3.04 3.38 -0.16 -3.46 115.31 109.55 2bwt h LEU 303 Ca 0.02 -0.19 -0.54 0.00 0.09 0.00 0.00 57.88 57.27 2bwt h LEU 303 Cb 1.12 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.83 2bwt h LEU 303 CO 0.12 1.15 1.02 -0.31 0.09 0.00 0.00 178.44 180.50 2bwt s TYR 304 N -2.67 2.29 0.08 1.13 2.02 0.75 -4.93 117.35 116.03 2bwt s TYR 304 Ca -0.02 0.29 -0.27 0.00 -0.37 0.00 0.00 57.07 56.70 2bwt s TYR 304 Cb 0.09 -3.94 0.08 0.00 -0.40 0.00 0.00 41.96 37.79 2bwt s TYR 304 CO 0.84 -3.84 1.00 -0.98 -1.57 0.00 0.00 175.55 171.00 2bwt s ARG 305 N 3.04 0.97 0.35 -0.62 1.70 -1.26 -3.52 118.95 119.61 2bwt s ARG 305 Ca 0.74 -0.50 -0.28 0.00 -0.47 0.00 0.00 55.73 55.21 2bwt s ARG 305 Cb -0.38 0.36 -0.10 0.00 -0.57 0.00 0.00 34.95 34.26 2bwt s ARG 305 CO 0.32 -0.44 1.33 -2.14 -1.08 0.00 0.00 175.30 173.28 2bwt s PRO 306 N -3.10 4.26 0.00 3.89 0.02 -1.26 -3.29 135.00 135.52 2bwt s PRO 306 Ca 0.11 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.38 2bwt s PRO 306 Cb -0.00 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.51 2bwt s PRO 306 CO -0.01 -0.28 0.00 0.41 -0.33 0.00 0.00 177.00 176.78 2bwt n GLY 307 N 0.73 2.53 2.40 0.52 0.00 -0.76 -4.98 105.19 105.62 2bwt n GLY 307 Ca 0.01 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 2bwt n GLY 307 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bwt n THR 308 N 0.00 0.00 -4.30 2.61 5.66 -1.21 -4.67 114.28 112.37 2bwt n THR 308 Ca 0.00 -0.87 -0.17 0.00 -3.05 0.00 0.00 64.05 59.97 2bwt n THR 308 Cb 0.00 -1.26 -0.10 0.00 -1.55 0.00 0.00 70.33 67.42 2bwt n THR 308 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2bwt s SER 309 N -3.66 1.13 0.15 1.09 1.04 -1.26 -0.97 113.70 111.22 2bwt s SER 309 Ca 0.43 -1.46 -0.11 0.00 0.48 0.00 0.00 55.95 55.28 2bwt s SER 309 Cb -0.02 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.39 2bwt s SER 309 CO 0.29 -0.82 1.52 0.40 0.98 0.00 0.00 173.24 175.60 2bwt h ILE 310 N 2.36 1.27 -0.46 -1.02 2.04 -1.75 -2.46 117.51 117.49 2bwt h ILE 310 Ca -0.36 -1.39 0.08 0.00 1.00 0.00 0.00 64.86 64.19 2bwt h ILE 310 Cb 1.25 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 38.49 2bwt h ILE 310 CO 0.55 0.47 0.05 0.25 0.00 0.00 0.00 178.15 179.47 2bwt h LEU 311 N 0.76 -0.09 -0.02 1.44 5.85 -1.52 0.44 115.31 122.17 2bwt h LEU 311 Ca 0.09 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2bwt h LEU 311 Cb 0.81 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 2bwt h LEU 311 CO 0.07 -0.02 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.07 2bwt h GLU 312 N 0.17 0.05 -0.44 1.25 4.81 -1.83 -2.09 114.58 116.49 2bwt h GLU 312 Ca 0.23 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2bwt h GLU 312 Cb 0.32 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2bwt h GLU 312 CO -0.34 0.39 0.17 0.28 -0.73 0.00 0.00 179.01 178.78 2bwt h VAL 313 N -0.30 1.17 -0.81 0.32 2.07 -1.35 -1.98 116.25 115.37 2bwt h VAL 313 Ca 0.01 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.00 2bwt h VAL 313 Cb 0.37 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2bwt h VAL 313 CO 0.00 0.21 0.53 0.74 0.02 0.00 0.00 177.57 179.08 2bwt h THR 314 N 0.63 1.18 -0.93 2.57 2.02 -0.56 -2.17 112.91 115.65 2bwt h THR 314 Ca 0.15 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 67.00 2bwt h THR 314 Cb 0.14 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.53 2bwt h THR 314 CO -0.01 0.19 0.61 1.23 0.37 0.00 0.00 175.52 177.91 2bwt h GLY 315 N 1.05 1.32 1.65 2.16 0.00 -0.67 0.80 103.07 109.39 2bwt h GLY 315 Ca 0.31 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 2bwt h GLY 315 CO -0.08 0.43 -0.32 0.83 0.00 0.00 0.00 176.54 177.40 2bwt h GLU 316 N 1.20 0.40 -0.07 4.80 4.39 -1.34 -2.64 114.58 121.31 2bwt h GLU 316 Ca 0.36 -0.17 -0.23 0.00 0.34 0.00 0.00 59.36 59.66 2bwt h GLU 316 Cb -0.05 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2bwt h GLU 316 CO -0.10 0.68 -0.87 0.28 -1.16 0.00 0.00 179.01 177.84 2bwt h VAL 317 N 0.34 1.32 -0.21 3.13 2.07 -0.87 -2.38 116.25 119.65 2bwt h VAL 317 Ca 0.04 -2.16 0.03 0.00 0.82 0.00 0.00 66.70 65.44 2bwt h VAL 317 Cb 0.74 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 2bwt h VAL 317 CO 0.06 0.67 0.00 0.58 0.02 0.00 0.00 177.57 178.89 2bwt h VAL 318 N 0.40 0.85 -0.48 2.57 2.07 -0.77 -1.17 116.25 119.71 2bwt h VAL 318 Ca -0.07 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2bwt h VAL 318 Cb 1.50 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 2bwt h VAL 318 CO 0.17 0.01 0.23 -0.09 0.02 0.00 0.00 177.57 177.91 2bwt h ARG 319 N 0.07 0.44 -0.76 1.57 2.43 -1.44 0.73 114.38 117.43 2bwt h ARG 319 Ca 0.10 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2bwt h ARG 319 Cb 0.12 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 2bwt h ARG 319 CO -0.17 0.29 0.49 0.82 -1.51 0.00 0.00 179.97 179.89 2bwt h ILE 320 N 0.46 1.14 -0.04 1.20 2.04 -1.19 -1.80 117.51 119.32 2bwt h ILE 320 Ca 0.21 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 2bwt h ILE 320 Cb 0.14 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2bwt h ILE 320 CO -0.16 0.18 -0.06 0.24 0.00 0.00 0.00 178.15 178.35 2bwt h MET 321 N 0.97 0.11 -0.41 2.37 2.86 -0.48 -1.63 114.93 118.70 2bwt h MET 321 Ca 0.29 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.89 2bwt h MET 321 Cb -0.03 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 2bwt h MET 321 CO -0.09 0.62 0.25 0.28 1.06 0.00 0.00 176.91 179.02 2bwt h VAL 322 N -0.39 1.05 -0.69 -2.22 2.07 -0.89 -0.44 116.25 114.72 2bwt h VAL 322 Ca 0.00 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2bwt h VAL 322 Cb 0.61 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2bwt h VAL 322 CO 0.01 0.09 0.46 0.28 0.02 0.00 0.00 177.57 178.43 2bwt h SER 323 N 0.50 0.78 -0.41 0.57 0.02 -1.36 -0.66 113.55 112.99 2bwt h SER 323 Ca 0.16 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2bwt h SER 323 Cb -0.00 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2bwt h SER 323 CO -0.07 0.56 0.08 1.23 -1.14 0.00 0.00 176.83 177.49 2bwt h GLY 324 N 0.92 0.71 1.78 -3.77 0.00 -0.91 -2.63 103.07 99.17 2bwt h GLY 324 Ca 0.26 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 2bwt h GLY 324 CO -0.07 0.43 -0.51 1.41 0.00 0.00 0.00 176.54 177.81 2bwt h LEU 325 N 0.52 0.26 0.28 3.11 3.38 -0.88 -2.79 115.31 119.19 2bwt h LEU 325 Ca 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2bwt h LEU 325 Cb 0.35 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2bwt h LEU 325 CO 0.01 0.73 -0.13 0.58 0.09 0.00 0.00 178.44 179.71 2bwt h VAL 326 N 0.19 0.75 -0.24 1.22 2.07 -1.04 -1.33 116.25 117.87 2bwt h VAL 326 Ca 0.01 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.41 2bwt h VAL 326 Cb 0.96 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2bwt h VAL 326 CO 0.08 0.04 0.34 0.11 0.02 0.00 0.00 177.57 178.16 2bwt h LYS 327 N -0.47 0.00 -0.01 1.57 1.57 -1.35 0.83 116.57 118.72 2bwt h LYS 327 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2bwt h LYS 327 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2bwt h LYS 327 CO 0.06 0.00 -0.43 1.28 -0.57 0.00 0.00 179.45 179.79 2bwt n LEU 328 N -3.50 1.18 0.00 2.94 4.77 -1.05 -4.96 117.00 116.38 2bwt n LEU 328 Ca 0.03 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 2bwt n LEU 328 Cb 0.47 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2bwt n LEU 328 CO 0.24 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2bwt n GLY 329 N 1.40 0.75 0.22 -0.72 0.00 0.29 -4.90 105.19 102.22 2bwt n GLY 329 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 2bwt n GLY 329 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bwt h ILE 330 N 0.00 1.29 -3.99 -0.61 2.04 -1.48 -3.44 117.51 111.32 2bwt h ILE 330 Ca 0.00 -1.42 -0.61 0.00 1.00 0.00 0.00 64.86 63.83 2bwt h ILE 330 Cb 0.00 1.54 -0.23 0.00 -0.74 0.00 0.00 36.82 37.40 2bwt h ILE 330 CO 0.00 0.44 -0.85 -0.76 0.00 0.00 0.00 178.15 176.98 2bwt s LEU 331 N -8.45 2.27 0.03 1.44 1.43 -1.02 -4.93 118.68 109.45 2bwt s LEU 331 Ca -0.06 -0.67 0.06 0.00 -1.03 0.00 0.00 54.13 52.43 2bwt s LEU 331 Cb 0.13 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.31 2bwt s LEU 331 CO 0.78 0.12 -0.17 -0.54 0.23 0.00 0.00 176.35 176.78 2bwt s LYS 332 N -1.79 1.21 0.00 1.70 1.02 -1.26 -4.14 119.74 116.48 2bwt s LYS 332 Ca 0.09 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.31 2bwt s LYS 332 Cb -0.10 -1.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.97 2bwt s LYS 332 CO 0.04 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.20 2bwt n GLY 333 N 2.11 0.79 3.76 -3.33 0.00 -1.26 -5.00 105.19 102.25 2bwt n GLY 333 Ca -0.17 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.15 2bwt n GLY 333 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bwt s ASP 334 N -0.67 6.88 0.14 1.61 2.15 -1.26 -4.95 116.67 120.57 2bwt s ASP 334 Ca 0.00 2.53 -0.15 0.00 0.43 0.00 0.00 52.55 55.36 2bwt s ASP 334 Cb 0.00 -2.63 0.02 0.00 -0.30 0.00 0.00 42.92 40.01 2bwt s ASP 334 CO 0.00 -0.48 1.70 0.58 -0.17 0.00 0.00 175.17 176.79 2bwt h VAL 335 N 3.31 1.20 -0.45 1.11 2.07 -1.96 -1.17 116.25 120.37 2bwt h VAL 335 Ca -0.47 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.34 2bwt h VAL 335 Cb 1.22 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2bwt h VAL 335 CO 0.70 0.23 -0.05 0.44 0.02 0.00 0.00 177.57 178.91 2bwt h ASP 336 N 0.59 0.82 -0.02 0.57 3.32 -2.00 -1.55 116.42 118.15 2bwt h ASP 336 Ca 0.15 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 2bwt h ASP 336 Cb 0.19 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 2bwt h ASP 336 CO -0.01 0.96 0.01 -0.33 -1.72 0.00 0.00 179.24 178.15 2bwt h GLU 337 N 0.66 0.03 -0.70 3.56 5.08 -1.95 -2.46 114.58 118.80 2bwt h GLU 337 Ca 0.12 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.61 2bwt h GLU 337 Cb 0.57 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2bwt h GLU 337 CO 0.03 0.10 0.47 -0.07 -1.00 0.00 0.00 179.01 178.54 2bwt h LEU 338 N -0.05 0.37 -0.04 1.33 3.38 -0.99 0.37 115.31 119.68 2bwt h LEU 338 Ca 0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2bwt h LEU 338 Cb 0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2bwt h LEU 338 CO -0.00 0.20 -0.03 0.40 0.09 0.00 0.00 178.44 179.10 2bwt h ILE 339 N 0.40 1.36 0.00 1.22 2.04 -1.01 -0.07 117.51 121.45 2bwt h ILE 339 Ca 0.34 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 2bwt h ILE 339 Cb 0.77 2.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.90 2bwt h ILE 339 CO -0.10 0.30 -0.01 0.00 0.00 0.00 0.00 178.15 178.35 2bwt h ALA 340 N 0.56 1.02 -0.18 1.87 0.00 -0.88 0.92 119.26 122.58 2bwt h ALA 340 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bwt h ALA 340 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2bwt h ALA 340 CO 0.01 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.30 2bwt n GLN 341 N -3.13 1.81 -3.42 0.00 6.02 0.04 -4.96 117.38 113.75 2bwt n GLN 341 Ca -0.02 -1.22 -0.23 0.00 -0.01 0.00 0.00 57.00 55.52 2bwt n GLN 341 Cb 0.15 -1.41 -0.01 0.00 1.02 0.00 0.00 30.24 29.98 2bwt n GLN 341 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2bwt n ASN 342 N 0.45 -3.17 0.33 1.08 3.02 0.32 -4.83 115.26 112.45 2bwt n ASN 342 Ca 0.16 -0.40 0.18 0.00 -0.03 0.00 0.00 54.58 54.50 2bwt n ASN 342 Cb 0.36 -2.65 0.99 0.00 -0.61 0.00 0.00 39.78 37.86 2bwt n ASN 342 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bwt h ALA 343 N 0.96 1.16 0.00 5.41 0.00 -1.25 -0.59 119.26 124.95 2bwt h ALA 343 Ca -0.40 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2bwt h ALA 343 Cb 1.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2bwt h ALA 343 CO 0.52 -0.16 -0.10 1.12 0.00 0.00 0.00 179.25 180.63 2bwt h HIS 344 N 0.00 0.00 -0.16 0.00 2.07 -1.88 -3.38 115.15 111.80 2bwt h HIS 344 Ca 0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 2bwt h HIS 344 Cb 0.33 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.30 2bwt h HIS 344 CO 0.00 0.10 -0.06 0.00 -3.07 0.00 0.00 177.93 174.89 2bwt h ARG 345 N 0.00 0.23 0.00 5.12 3.08 -1.29 0.75 114.38 122.27 2bwt h ARG 345 Ca -0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2bwt h ARG 345 Cb 0.60 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 2bwt h ARG 345 CO 0.01 0.31 -0.00 -1.35 -1.07 0.00 0.00 179.97 177.87 2bwt h PRO 346 N 0.23 0.00 0.00 0.04 0.11 -1.82 -3.28 132.00 127.28 2bwt h PRO 346 Ca 0.05 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.99 2bwt h PRO 346 Cb 0.27 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 2bwt h PRO 346 CO 0.01 0.00 -1.84 1.19 -0.21 0.00 0.00 178.00 177.15 2bwt n PHE 347 N -3.66 0.00 -3.67 0.65 3.72 0.12 -4.81 117.46 109.80 2bwt n PHE 347 Ca -0.03 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.08 2bwt n PHE 347 Cb 0.08 -0.57 -0.14 0.00 -0.94 0.00 0.00 39.48 37.92 2bwt n PHE 347 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 2bwt s PHE 348 N -2.52 1.61 -0.80 1.38 5.36 -0.38 0.09 117.98 122.72 2bwt s PHE 348 Ca -0.06 -1.97 0.09 0.00 -0.96 0.00 0.00 56.93 54.02 2bwt s PHE 348 Cb 0.05 -1.62 0.22 0.00 -0.34 0.00 0.00 43.02 41.33 2bwt s PHE 348 CO 0.56 -0.83 1.13 0.00 -1.46 0.00 0.00 175.22 174.63 2bwt n MET 349 N 4.19 2.47 -4.73 10.12 0.00 -1.24 -4.34 117.12 123.59 2bwt n MET 349 Ca 0.05 -1.79 -0.32 0.00 0.00 0.00 0.00 57.70 55.63 2bwt n MET 349 Cb 0.38 -1.21 -0.08 0.00 0.00 0.00 0.00 33.22 32.31 2bwt n MET 349 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 2bwt s HIS 350 N -0.96 1.91 0.83 3.17 -3.43 -1.26 -5.12 115.29 110.44 2bwt s HIS 350 Ca 0.17 -0.96 -0.11 0.00 -0.80 0.00 0.00 55.06 53.36 2bwt s HIS 350 Cb 0.09 -1.59 0.09 0.00 -1.43 0.00 0.00 32.58 29.75 2bwt s HIS 350 CO 0.12 0.20 1.09 0.20 -2.00 0.00 0.00 174.74 174.36 2bwt s GLY 351 N -3.84 1.62 0.10 -1.38 0.00 -1.26 -4.99 107.32 97.57 2bwt s GLY 351 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.70 2bwt s GLY 351 CO 0.05 0.33 1.21 -2.00 0.00 0.00 0.00 173.10 172.69 2bwt h LEU 352 N -1.26 0.26 -7.34 0.66 5.85 -1.94 -3.46 115.31 108.09 2bwt h LEU 352 Ca -0.48 -0.27 -0.12 0.00 0.84 0.00 0.00 57.88 57.85 2bwt h LEU 352 Cb 1.27 -0.09 -0.24 0.00 0.37 0.00 0.00 40.66 41.98 2bwt h LEU 352 CO 0.57 1.20 -0.25 -0.44 -0.34 0.00 0.00 178.44 179.18 2bwt s SER 353 N -6.98 -0.40 0.06 1.25 0.01 -1.26 0.08 113.70 106.46 2bwt s SER 353 Ca -0.02 0.75 0.05 0.00 1.31 0.00 0.00 55.95 58.03 2bwt s SER 353 Cb 0.08 0.77 -0.03 0.00 0.21 0.00 0.00 66.02 67.06 2bwt s SER 353 CO 0.86 -0.17 -0.13 -1.38 0.41 0.00 0.00 173.24 172.83 2bwt s HIS 354 N 0.08 1.16 0.42 2.43 -3.43 -1.24 -4.91 115.29 109.80 2bwt s HIS 354 Ca -0.01 -0.43 -0.24 0.00 -0.80 0.00 0.00 55.06 53.57 2bwt s HIS 354 Cb -0.03 -0.67 -0.10 0.00 -1.43 0.00 0.00 32.58 30.35 2bwt s HIS 354 CO 0.01 0.04 1.06 0.91 -2.00 0.00 0.00 174.74 174.76 2bwt n TRP 355 N 1.48 1.37 -4.72 0.38 5.03 -1.26 -1.10 117.44 118.61 2bwt n TRP 355 Ca -0.20 0.55 -0.24 0.00 3.03 0.00 0.00 57.50 60.63 2bwt n TRP 355 Cb 0.54 -2.26 -0.15 0.00 -1.03 0.00 0.00 31.31 28.42 2bwt n TRP 355 CO 0.00 0.00 0.00 -1.17 -0.03 0.00 0.00 177.69 176.49 2bwt s LEU 356 N -0.78 2.08 0.00 -0.99 2.96 -0.47 -0.86 118.68 120.63 2bwt s LEU 356 Ca 0.63 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 2bwt s LEU 356 Cb -0.55 -0.87 0.00 0.00 0.50 0.00 0.00 46.19 45.27 2bwt s LEU 356 CO 0.57 0.18 0.00 0.61 -1.32 0.00 0.00 176.35 176.38 2bwt n GLY 357 N 2.36 0.86 0.27 7.98 0.00 -1.26 -4.63 105.19 110.77 2bwt n GLY 357 Ca -0.16 0.25 0.09 0.00 0.00 0.00 0.00 46.02 46.20 2bwt n GLY 357 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bwt h LEU 358 N 0.00 0.01 -8.95 0.99 3.38 -1.94 -0.18 115.31 108.62 2bwt h LEU 358 Ca 0.00 -0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 2bwt h LEU 358 Cb 0.00 -0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.52 2bwt h LEU 358 CO 0.00 0.01 -0.76 -1.81 0.09 0.00 0.00 178.44 175.96 2bwt s ASP 359 N -7.02 4.08 0.12 -0.43 1.01 -1.26 -4.62 116.67 108.56 2bwt s ASP 359 Ca -0.05 -0.21 -0.20 0.00 0.71 0.00 0.00 52.55 52.80 2bwt s ASP 359 Cb 0.17 -0.86 -0.07 0.00 1.01 0.00 0.00 42.92 43.18 2bwt s ASP 359 CO 0.67 0.33 1.76 1.62 0.21 0.00 0.00 175.17 179.77 2bwt h VAL 360 N 4.24 1.06 -2.33 -1.27 3.04 -1.86 -2.87 116.25 116.26 2bwt h VAL 360 Ca -0.47 -0.13 -0.73 0.00 -1.01 0.00 0.00 66.70 64.36 2bwt h VAL 360 Cb 1.15 0.79 -0.18 0.00 -2.01 0.00 0.00 31.29 31.04 2bwt h VAL 360 CO 0.50 0.06 1.16 -1.00 -1.01 0.00 0.00 177.57 177.29 2bwt s HIS 361 N -6.12 3.46 0.63 3.17 3.76 -1.26 -4.26 115.29 114.67 2bwt s HIS 361 Ca -0.13 -1.99 -0.13 0.00 -0.15 0.00 0.00 55.06 52.65 2bwt s HIS 361 Cb 0.08 -4.27 -0.02 0.00 1.11 0.00 0.00 32.58 29.48 2bwt s HIS 361 CO 0.69 -1.39 1.05 0.34 -0.85 0.00 0.00 174.74 174.59 2bwt s ASP 362 N 2.92 5.74 0.82 1.40 2.15 -0.04 -4.99 116.67 124.67 2bwt s ASP 362 Ca 0.39 1.66 -0.11 0.00 0.43 0.00 0.00 52.55 54.93 2bwt s ASP 362 Cb -0.04 -2.51 0.08 0.00 -0.30 0.00 0.00 42.92 40.16 2bwt s ASP 362 CO -0.03 -1.20 1.09 0.68 -0.17 0.00 0.00 175.17 175.55 2bwt s VAL 363 N -2.80 3.07 0.00 1.11 -7.23 -1.26 -4.59 120.40 108.69 2bwt s VAL 363 Ca 0.60 0.35 0.00 0.00 -1.81 0.00 0.00 61.98 61.11 2bwt s VAL 363 Cb -0.14 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.94 2bwt s VAL 363 CO 0.46 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2bwt n GLY 364 N -1.25 3.62 3.69 2.32 0.00 -1.26 -4.47 105.19 107.84 2bwt n GLY 364 Ca 0.08 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 2bwt n GLY 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bwt s VAL 365 N -1.71 4.72 -0.19 1.61 1.01 -1.26 -4.94 120.40 119.64 2bwt s VAL 365 Ca 0.00 1.98 0.17 0.00 0.00 0.00 0.00 61.98 64.14 2bwt s VAL 365 Cb 0.00 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 32.14 2bwt s VAL 365 CO 0.00 0.02 1.24 1.88 0.00 0.00 0.00 175.10 178.24 2bwt h TYR 366 N 7.11 0.00 -0.21 5.22 0.05 -1.98 -3.47 116.97 123.69 2bwt h TYR 366 Ca -0.32 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.48 2bwt h TYR 366 Cb 1.16 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.88 2bwt h TYR 366 CO 0.71 0.40 -0.07 0.41 -1.05 0.00 0.00 178.16 178.55 2bwt n GLY 367 N 1.25 -2.58 3.66 3.88 0.00 -1.26 -2.03 105.19 108.12 2bwt n GLY 367 Ca -0.01 -1.43 -0.47 0.00 0.00 0.00 0.00 46.02 44.11 2bwt n GLY 367 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2bwt n GLN 368 N -2.20 2.01 -2.98 1.61 7.27 -1.26 -0.85 117.38 120.98 2bwt n GLN 368 Ca -0.01 0.72 -0.17 0.00 0.07 0.00 0.00 57.00 57.62 2bwt n GLN 368 Cb 0.04 -2.47 -0.01 0.00 2.41 0.00 0.00 30.24 30.22 2bwt n GLN 368 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2bwt n ASP 369 N 3.17 -3.33 -2.95 1.69 8.00 -1.26 -1.74 116.55 120.13 2bwt n ASP 369 Ca 0.17 -0.10 -0.22 0.00 0.71 0.00 0.00 54.79 55.34 2bwt n ASP 369 Cb 0.28 -2.82 0.03 0.00 -0.02 0.00 0.00 41.12 38.60 2bwt n ASP 369 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bwt n ARG 370 N -3.27 -4.65 -0.03 -1.24 1.74 -0.03 -4.38 116.66 104.81 2bwt n ARG 370 Ca -0.05 0.92 0.10 0.00 -0.77 0.00 0.00 57.85 58.05 2bwt n ARG 370 Cb 0.56 -5.76 0.50 0.00 -1.02 0.00 0.00 32.46 26.73 2bwt n ARG 370 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2bwt n SER 371 N -2.46 0.74 -4.72 0.55 3.41 -0.71 -1.68 113.62 108.75 2bwt n SER 371 Ca -0.13 -1.52 -0.42 0.00 -0.26 0.00 0.00 58.87 56.54 2bwt n SER 371 Cb 0.63 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 2bwt n SER 371 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2bwt n ARG 372 N -0.31 2.67 -2.02 4.33 0.63 -0.86 -4.82 116.66 116.29 2bwt n ARG 372 Ca 0.16 0.96 -0.42 0.00 -0.92 0.00 0.00 57.85 57.62 2bwt n ARG 372 Cb 0.19 -2.77 -0.03 0.00 0.45 0.00 0.00 32.46 30.30 2bwt n ARG 372 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2bwt s ILE 373 N 0.73 3.30 0.46 5.15 -1.09 -1.26 -4.38 121.20 124.10 2bwt s ILE 373 Ca 0.72 0.68 -0.22 0.00 -2.23 0.00 0.00 60.65 59.59 2bwt s ILE 373 Cb -0.52 -3.44 -0.08 0.00 -1.58 0.00 0.00 42.46 36.84 2bwt s ILE 373 CO 0.38 -0.01 1.09 -0.76 -1.23 0.00 0.00 174.94 174.42 2bwt s LEU 374 N 2.78 3.98 0.05 2.97 1.43 -0.14 -4.88 118.68 124.87 2bwt s LEU 374 Ca 0.71 2.11 0.01 0.00 -1.03 0.00 0.00 54.13 55.94 2bwt s LEU 374 Cb -0.37 -4.34 -0.03 0.00 0.03 0.00 0.00 46.19 41.48 2bwt s LEU 374 CO 0.30 -0.78 -0.06 -1.61 0.23 0.00 0.00 176.35 174.43 2bwt s GLU 375 N -2.83 0.57 0.45 1.70 2.02 -1.26 -1.83 118.70 117.52 2bwt s GLU 375 Ca 0.64 -0.91 -0.24 0.00 0.02 0.00 0.00 54.97 54.47 2bwt s GLU 375 Cb -0.23 -0.16 -0.09 0.00 0.10 0.00 0.00 34.13 33.75 2bwt s GLU 375 CO 0.28 0.00 1.18 -2.30 0.02 0.00 0.00 175.26 174.44 2bwt n PRO 376 N 1.01 1.63 0.00 0.39 -0.02 -1.26 -2.73 135.00 134.02 2bwt n PRO 376 Ca -0.20 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2bwt n PRO 376 Cb 0.57 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2bwt n PRO 376 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bwt n GLY 377 N 0.96 0.16 3.74 -1.23 0.00 -0.07 -4.93 105.19 103.82 2bwt n GLY 377 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2bwt n GLY 377 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bwt s MET 378 N -0.96 4.60 -0.10 1.61 -1.94 -1.10 -1.05 119.30 120.35 2bwt s MET 378 Ca 0.00 1.26 0.02 0.00 -1.71 0.00 0.00 55.69 55.26 2bwt s MET 378 Cb 0.00 -3.36 -0.01 0.00 2.01 0.00 0.00 34.83 33.46 2bwt s MET 378 CO 0.00 0.27 -0.16 0.08 -0.01 0.00 0.00 175.02 175.20 2bwt s VAL 379 N -0.12 2.78 0.14 -6.03 1.01 -1.26 -0.12 120.40 116.79 2bwt s VAL 379 Ca 0.42 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 2bwt s VAL 379 Cb -0.22 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.08 2bwt s VAL 379 CO 0.27 0.55 0.47 -1.48 0.00 0.00 0.00 175.10 174.90 2bwt s LEU 380 N 0.09 0.08 0.23 3.92 2.34 -0.58 -1.36 118.68 123.39 2bwt s LEU 380 Ca -0.07 -0.21 -0.04 0.00 0.06 0.00 0.00 54.13 53.87 2bwt s LEU 380 Cb -0.15 2.09 -0.05 0.00 -0.56 0.00 0.00 46.19 47.52 2bwt s LEU 380 CO 0.05 -0.89 0.47 0.42 -1.06 0.00 0.00 176.35 175.34 2bwt s THR 381 N -3.78 5.11 -0.24 5.48 -4.23 -0.26 -0.66 115.64 117.06 2bwt s THR 381 Ca 0.02 -0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.46 2bwt s THR 381 Cb 0.01 -3.71 0.06 0.00 1.34 0.00 0.00 72.50 70.20 2bwt s THR 381 CO -0.12 -0.20 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.00 2bwt s VAL 382 N -1.93 1.69 -0.41 2.29 1.01 0.59 -3.71 120.40 119.94 2bwt s VAL 382 Ca 0.42 -1.32 0.08 0.00 0.00 0.00 0.00 61.98 61.15 2bwt s VAL 382 Cb -0.11 -1.91 0.25 0.00 0.00 0.00 0.00 36.38 34.61 2bwt s VAL 382 CO 0.28 -0.07 0.59 -1.84 0.00 0.00 0.00 175.10 174.06 2bwt n GLU 383 N 4.61 0.73 -2.37 2.72 0.28 0.11 -1.47 120.64 125.25 2bwt n GLU 383 Ca -0.13 -2.96 -0.35 0.00 -0.16 0.00 0.00 57.16 53.57 2bwt n GLU 383 Cb 0.44 -1.26 -0.01 0.00 1.43 0.00 0.00 31.44 32.03 2bwt n GLU 383 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2bwt s PRO 384 N -0.87 3.54 0.06 3.44 0.04 -1.25 -4.71 135.00 135.25 2bwt s PRO 384 Ca 0.35 1.49 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 2bwt s PRO 384 Cb 0.18 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.71 2bwt s PRO 384 CO -0.13 -0.67 0.36 0.20 0.04 0.00 0.00 177.00 176.80 2bwt s GLY 385 N -1.89 -0.20 -0.04 0.56 0.00 -1.26 -2.93 107.32 101.55 2bwt s GLY 385 Ca 0.70 0.11 0.03 0.00 0.00 0.00 0.00 44.72 45.56 2bwt s GLY 385 CO 0.24 -0.13 -0.11 1.08 0.00 0.00 0.00 173.10 174.18 2bwt s LEU 386 N -2.17 1.73 -0.23 0.66 1.43 -0.02 -4.44 118.68 115.64 2bwt s LEU 386 Ca -0.04 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2bwt s LEU 386 Cb -0.00 -0.70 0.07 0.00 0.03 0.00 0.00 46.19 45.60 2bwt s LEU 386 CO -0.04 0.06 0.05 -0.31 0.23 0.00 0.00 176.35 176.34 2bwt s TYR 387 N 0.36 1.31 -0.48 0.29 1.51 0.11 -1.22 117.35 119.24 2bwt s TYR 387 Ca -0.07 -1.19 -0.16 0.00 -1.01 0.00 0.00 57.07 54.64 2bwt s TYR 387 Cb -0.12 -1.26 0.07 0.00 -0.11 0.00 0.00 41.96 40.54 2bwt s TYR 387 CO 0.02 -0.71 0.43 0.42 -1.11 0.00 0.00 175.55 174.59 2bwt s ILE 388 N 1.76 5.18 0.56 2.71 -1.09 0.24 -4.40 121.20 126.16 2bwt s ILE 388 Ca 0.02 -0.98 -0.19 0.00 -2.23 0.00 0.00 60.65 57.27 2bwt s ILE 388 Cb -0.17 -4.15 -0.07 0.00 -1.58 0.00 0.00 42.46 36.49 2bwt s ILE 388 CO -0.14 -0.61 0.79 0.00 -1.23 0.00 0.00 174.94 173.75 2bwt n ALA 389 N 5.34 -0.37 0.05 9.38 0.00 -1.26 0.37 120.51 134.02 2bwt n ALA 389 Ca -0.12 0.03 0.21 0.00 0.00 0.00 0.00 53.44 53.56 2bwt n ALA 389 Cb 0.44 -1.99 0.74 0.00 0.00 0.00 0.00 19.45 18.63 2bwt n ALA 389 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bwt h PRO 390 N 0.53 0.00 -0.22 0.00 0.11 -1.90 -2.08 132.00 128.43 2bwt h PRO 390 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2bwt h PRO 390 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 2bwt h PRO 390 CO 0.50 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.89 2bwt n ASP 391 N -3.92 2.98 -4.68 -2.05 5.75 -1.26 -4.54 116.55 108.82 2bwt n ASP 391 Ca 0.09 -2.40 -0.43 0.00 -0.01 0.00 0.00 54.79 52.04 2bwt n ASP 391 Cb 0.64 -0.30 -0.01 0.00 -1.03 0.00 0.00 41.12 40.42 2bwt n ASP 391 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bwt n ALA 392 N -0.16 1.13 -2.74 2.12 0.00 -0.80 -4.89 120.51 115.17 2bwt n ALA 392 Ca 0.13 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.51 2bwt n ALA 392 Cb 0.55 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.76 2bwt n ALA 392 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2bwt s GLU 393 N -1.70 3.93 0.20 0.00 2.02 -1.26 -4.88 118.70 117.01 2bwt s GLU 393 Ca 0.57 -2.07 -0.06 0.00 0.02 0.00 0.00 54.97 53.43 2bwt s GLU 393 Cb -0.59 -5.28 -0.02 0.00 0.10 0.00 0.00 34.13 28.33 2bwt s GLU 393 CO 0.61 -2.03 0.26 0.14 0.02 0.00 0.00 175.26 174.26 2bwt s VAL 394 N 3.23 0.02 0.19 2.63 -7.23 -1.26 -5.05 120.40 112.93 2bwt s VAL 394 Ca 0.47 -1.70 -0.32 0.00 -1.81 0.00 0.00 61.98 58.62 2bwt s VAL 394 Cb 0.00 -2.26 -0.15 0.00 0.56 0.00 0.00 36.38 34.53 2bwt s VAL 394 CO 0.01 -0.08 1.13 -2.65 -0.31 0.00 0.00 175.10 173.20 2bwt n PRO 395 N -0.28 1.19 -0.28 4.82 -0.02 -1.26 -4.82 135.00 134.34 2bwt n PRO 395 Ca -0.01 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 61.98 2bwt n PRO 395 Cb 0.64 -1.89 0.23 0.00 -0.02 0.00 0.00 33.50 32.46 2bwt n PRO 395 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2bwt h GLU 396 N 3.12 0.17 0.00 -0.52 4.22 -1.98 -1.86 114.58 117.73 2bwt h GLU 396 Ca -0.42 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.01 2bwt h GLU 396 Cb 1.34 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2bwt h GLU 396 CO 0.68 0.11 0.00 -0.56 -2.18 0.00 0.00 179.01 177.06 2bwt h GLN 397 N 0.17 0.00 0.00 1.92 -0.00 -2.02 -1.04 115.11 114.15 2bwt h GLN 397 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.14 2bwt h GLN 397 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.41 2bwt h GLN 397 CO -0.65 0.00 -1.42 0.66 -0.00 0.00 0.00 178.83 177.42 2bwt n TYR 398 N -2.69 0.38 -1.78 0.06 4.01 -0.70 -4.84 117.16 111.60 2bwt n TYR 398 Ca -0.02 0.11 -0.40 0.00 -0.16 0.00 0.00 57.90 57.42 2bwt n TYR 398 Cb 0.06 -0.62 0.01 0.00 -0.31 0.00 0.00 39.34 38.49 2bwt n TYR 398 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2bwt s ARG 399 N -3.38 3.89 -0.82 -0.72 0.52 -0.40 -3.12 118.95 114.93 2bwt s ARG 399 Ca -0.02 2.52 0.00 0.00 -0.52 0.00 0.00 55.73 57.71 2bwt s ARG 399 Cb 0.13 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.78 2bwt s ARG 399 CO 0.84 -0.69 0.00 0.41 0.02 0.00 0.00 175.30 175.88 2bwt n GLY 400 N 0.50 0.55 3.59 -3.53 0.00 0.16 -4.82 105.19 101.64 2bwt n GLY 400 Ca 0.03 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 2bwt n GLY 400 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bwt s ILE 401 N -2.37 4.51 -0.16 -0.61 1.01 -0.97 -3.89 121.20 118.72 2bwt s ILE 401 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 2bwt s ILE 401 Cb 0.00 -3.01 0.04 0.00 0.01 0.00 0.00 42.46 39.49 2bwt s ILE 401 CO 0.00 0.47 -0.07 -0.83 0.00 0.00 0.00 174.94 174.52 2bwt s GLY 402 N 0.34 0.98 -0.09 6.18 0.00 -1.26 -0.59 107.32 112.88 2bwt s GLY 402 Ca 0.01 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.91 2bwt s GLY 402 CO 0.01 0.88 -0.11 -0.42 0.00 0.00 0.00 173.10 173.46 2bwt s ILE 403 N 1.61 1.12 0.02 0.90 1.01 -0.36 -4.65 121.20 120.85 2bwt s ILE 403 Ca 0.01 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2bwt s ILE 403 Cb -0.15 -1.07 -0.01 0.00 0.01 0.00 0.00 42.46 41.24 2bwt s ILE 403 CO -0.08 0.37 -0.07 -0.60 0.00 0.00 0.00 174.94 174.56 2bwt s ARG 404 N 1.06 0.49 -0.15 2.79 3.52 -1.26 -0.84 118.95 124.57 2bwt s ARG 404 Ca -0.07 -0.45 -0.01 0.00 -0.13 0.00 0.00 55.73 55.08 2bwt s ARG 404 Cb -0.15 -0.39 0.04 0.00 -1.56 0.00 0.00 34.95 32.89 2bwt s ARG 404 CO -0.01 0.09 -0.06 0.42 -0.81 0.00 0.00 175.30 174.94 2bwt s ILE 405 N -0.66 1.05 -0.07 4.11 1.01 -1.15 -3.41 121.20 122.07 2bwt s ILE 405 Ca -0.03 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.17 2bwt s ILE 405 Cb -0.06 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.24 2bwt s ILE 405 CO 0.00 0.20 -0.19 -0.70 0.00 0.00 0.00 174.94 174.25 2bwt s GLU 406 N 1.67 2.29 0.19 2.79 2.12 0.02 -3.86 118.70 123.92 2bwt s GLU 406 Ca 0.02 -0.69 0.10 0.00 0.36 0.00 0.00 54.97 54.76 2bwt s GLU 406 Cb -0.14 -1.85 -0.04 0.00 0.26 0.00 0.00 34.13 32.35 2bwt s GLU 406 CO -0.08 0.19 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.11 2bwt s ASP 407 N 0.26 3.12 -0.18 -1.70 1.01 -0.54 -3.04 116.67 115.60 2bwt s ASP 407 Ca -0.11 -0.88 -0.06 0.00 0.71 0.00 0.00 52.55 52.20 2bwt s ASP 407 Cb -0.15 -0.22 -0.04 0.00 1.01 0.00 0.00 42.92 43.53 2bwt s ASP 407 CO 0.05 0.04 0.03 -1.81 0.21 0.00 0.00 175.17 173.70 2bwt s ASP 408 N -2.76 5.31 0.26 0.27 1.01 -1.26 -0.30 116.67 119.20 2bwt s ASP 408 Ca 0.20 -0.02 0.08 0.00 0.71 0.00 0.00 52.55 53.51 2bwt s ASP 408 Cb -0.07 -1.90 -0.05 0.00 1.01 0.00 0.00 42.92 41.91 2bwt s ASP 408 CO 0.09 0.14 -0.11 0.27 0.21 0.00 0.00 175.17 175.77 2bwt s ILE 409 N 0.55 1.83 -0.07 0.77 -4.36 0.16 -0.90 121.20 119.19 2bwt s ILE 409 Ca 0.01 -2.20 0.04 0.00 -0.26 0.00 0.00 60.65 58.24 2bwt s ILE 409 Cb -0.13 -2.32 0.00 0.00 1.25 0.00 0.00 42.46 41.26 2bwt s ILE 409 CO 0.02 -0.40 -0.18 0.54 0.24 0.00 0.00 174.94 175.16 2bwt s VAL 410 N -2.90 1.55 0.14 8.37 0.11 -0.55 -1.53 120.40 125.58 2bwt s VAL 410 Ca 0.28 -0.74 -0.30 0.00 -2.93 0.00 0.00 61.98 58.28 2bwt s VAL 410 Cb 0.01 -1.35 -0.08 0.00 -1.53 0.00 0.00 36.38 33.43 2bwt s VAL 410 CO 0.11 0.44 1.27 -0.63 -3.33 0.00 0.00 175.10 172.97 2bwt s ILE 411 N 0.35 3.52 0.35 7.04 -1.09 0.84 -0.62 121.20 131.58 2bwt s ILE 411 Ca -0.12 1.18 0.01 0.00 -2.23 0.00 0.00 60.65 59.48 2bwt s ILE 411 Cb -0.15 -3.75 0.01 0.00 -1.58 0.00 0.00 42.46 36.99 2bwt s ILE 411 CO 0.05 0.14 0.09 0.35 -1.23 0.00 0.00 174.94 174.34 2bwt n THR 412 N 3.20 0.00 0.23 2.92 -2.24 0.79 -0.89 114.28 118.29 2bwt n THR 412 Ca 0.08 -1.54 0.06 0.00 -2.27 0.00 0.00 64.05 60.38 2bwt n THR 412 Cb 0.44 0.15 0.55 0.00 -2.10 0.00 0.00 70.33 69.37 2bwt n THR 412 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2bwt h GLU 413 N 0.00 0.00 0.00 -0.78 4.39 -1.96 -3.26 114.58 112.97 2bwt h GLU 413 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2bwt h GLU 413 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2bwt h GLU 413 CO 0.43 0.14 -0.15 0.25 -1.16 0.00 0.00 179.01 178.52 2bwt n THR 414 N -4.30 0.91 0.00 1.13 -2.24 -1.26 -4.80 114.28 103.71 2bwt n THR 414 Ca -0.03 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 2bwt n THR 414 Cb 0.21 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2bwt n THR 414 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bwt n GLY 415 N -0.65 -0.53 3.07 3.38 0.00 -1.23 -4.91 105.19 104.33 2bwt n GLY 415 Ca 0.06 -0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 2bwt n GLY 415 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bwt s ASN 416 N -4.00 0.44 -0.17 1.61 2.20 -1.23 -0.15 114.94 113.64 2bwt s ASN 416 Ca 0.00 -0.91 -0.05 0.00 -0.94 0.00 0.00 52.86 50.96 2bwt s ASN 416 Cb 0.00 0.19 -0.03 0.00 -2.00 0.00 0.00 41.25 39.41 2bwt s ASN 416 CO 0.00 -0.55 -0.01 -0.70 -2.94 0.00 0.00 177.10 172.90 2bwt s GLU 417 N -3.51 3.72 -0.36 3.55 2.12 0.21 -4.86 118.70 119.57 2bwt s GLU 417 Ca 0.03 -0.48 -0.24 0.00 0.36 0.00 0.00 54.97 54.64 2bwt s GLU 417 Cb 0.05 -3.02 0.01 0.00 0.26 0.00 0.00 34.13 31.43 2bwt s GLU 417 CO -0.09 0.18 0.83 1.21 -0.54 0.00 0.00 175.26 176.86 2bwt s ASN 418 N 0.54 6.60 0.07 -1.70 3.84 -1.26 -1.49 114.94 121.55 2bwt s ASN 418 Ca -0.01 0.45 0.28 0.00 0.21 0.00 0.00 52.86 53.79 2bwt s ASN 418 Cb -0.14 -2.42 1.05 0.00 -0.55 0.00 0.00 41.25 39.19 2bwt s ASN 418 CO 0.02 -0.77 1.85 0.18 -2.79 0.00 0.00 177.10 175.59 2bwt n LEU 419 N 6.53 0.31 -0.15 3.21 4.77 -0.08 -4.20 117.00 127.40 2bwt n LEU 419 Ca 0.04 0.50 0.03 0.00 -0.03 0.00 0.00 56.01 56.56 2bwt n LEU 419 Cb 0.48 -0.42 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 2bwt n LEU 419 CO 0.55 -0.06 0.42 0.35 -1.33 0.00 0.00 177.39 177.32 2bwt n THR 420 N -1.78 0.87 0.57 -5.08 -2.24 -1.25 -3.98 114.28 101.41 2bwt n THR 420 Ca 0.06 -1.00 0.09 0.00 -2.27 0.00 0.00 64.05 60.93 2bwt n THR 420 Cb 0.37 0.33 0.39 0.00 -2.10 0.00 0.00 70.33 69.32 2bwt n THR 420 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bwt n ALA 421 N -0.61 1.79 0.37 6.98 0.00 -1.26 -2.83 120.51 124.95 2bwt n ALA 421 Ca 0.05 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.54 2bwt n ALA 421 Cb 0.54 -1.30 0.39 0.00 0.00 0.00 0.00 19.45 19.08 2bwt n ALA 421 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bwt n SER 422 N -1.61 0.35 -4.59 0.00 3.41 -1.26 -4.44 113.62 105.48 2bwt n SER 422 Ca 0.04 0.60 -0.34 0.00 -0.26 0.00 0.00 58.87 58.91 2bwt n SER 422 Cb 0.21 -0.67 -0.10 0.00 -0.26 0.00 0.00 64.21 63.39 2bwt n SER 422 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bwt s VAL 423 N -3.20 4.48 0.72 -3.33 0.11 -1.13 -4.91 120.40 113.14 2bwt s VAL 423 Ca 0.04 -0.15 -0.15 0.00 -2.93 0.00 0.00 61.98 58.79 2bwt s VAL 423 Cb 0.08 -2.99 0.03 0.00 -1.53 0.00 0.00 36.38 31.97 2bwt s VAL 423 CO 0.29 0.48 1.20 0.68 -3.33 0.00 0.00 175.10 174.41 2bwt s VAL 424 N 0.29 2.40 0.00 2.04 -7.23 -1.26 -4.98 120.40 111.66 2bwt s VAL 424 Ca 0.01 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.38 2bwt s VAL 424 Cb -0.13 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.05 2bwt s VAL 424 CO 0.01 -0.10 0.00 2.29 -0.31 0.00 0.00 175.10 176.99 2bwt n LYS 425 N -2.68 5.27 -1.99 4.82 2.85 -1.26 -4.90 118.16 120.26 2bwt n LYS 425 Ca 0.13 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.97 2bwt n LYS 425 Cb 0.50 -0.44 -0.03 0.00 -0.65 0.00 0.00 35.03 34.42 2bwt n LYS 425 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2bwt s LYS 426 N 0.00 4.25 0.36 -1.58 1.02 -1.26 -4.87 119.74 117.66 2bwt s LYS 426 Ca 0.00 2.31 0.04 0.00 0.02 0.00 0.00 55.97 58.34 2bwt s LYS 426 Cb 0.00 -3.14 0.68 0.00 -0.52 0.00 0.00 37.83 34.86 2bwt s LYS 426 CO 0.00 -0.50 1.99 -1.00 -0.92 0.00 0.00 175.35 174.92 2bwt h PRO 427 N 5.85 0.68 -0.20 -1.68 0.13 -1.99 -0.26 132.00 134.54 2bwt h PRO 427 Ca -0.44 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 2bwt h PRO 427 Cb 1.21 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2bwt h PRO 427 CO 0.84 0.51 -0.39 1.05 -0.23 0.00 0.00 178.00 179.77 2bwt h GLU 428 N 0.69 0.44 -0.02 0.86 9.09 -1.99 -1.27 114.58 122.38 2bwt h GLU 428 Ca 0.18 -0.21 -0.14 0.00 0.05 0.00 0.00 59.36 59.23 2bwt h GLU 428 Cb 0.02 -0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.10 2bwt h GLU 428 CO -0.03 0.77 -0.65 0.93 0.05 0.00 0.00 179.01 180.08 2bwt h GLU 429 N 0.37 0.10 0.40 1.06 5.08 -1.57 -1.02 114.58 118.99 2bwt h GLU 429 Ca 0.04 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2bwt h GLU 429 Cb 0.85 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2bwt h GLU 429 CO 0.07 0.71 -0.19 0.82 -1.00 0.00 0.00 179.01 179.42 2bwt h ILE 430 N 0.07 0.59 -0.61 3.13 2.04 -0.89 -2.35 117.51 119.48 2bwt h ILE 430 Ca -0.01 -0.37 0.07 0.00 1.00 0.00 0.00 64.86 65.55 2bwt h ILE 430 Cb 1.15 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 2bwt h ILE 430 CO 0.09 0.07 0.41 -0.33 0.00 0.00 0.00 178.15 178.38 2bwt h GLU 431 N -0.76 0.55 -0.17 2.37 5.08 -1.15 -1.11 114.58 119.38 2bwt h GLU 431 Ca -0.05 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2bwt h GLU 431 Cb 0.52 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2bwt h GLU 431 CO 0.09 0.36 -0.32 0.00 -1.00 0.00 0.00 179.01 178.14 2bwt h ALA 432 N 1.67 0.27 -0.50 3.43 0.00 -1.22 -0.93 119.26 121.99 2bwt h ALA 432 Ca 0.27 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2bwt h ALA 432 Cb 0.32 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2bwt h ALA 432 CO -0.08 0.31 0.25 1.25 0.00 0.00 0.00 179.25 180.98 2bwt h LEU 433 N 0.17 0.36 -0.41 0.00 5.85 -0.90 -1.08 115.31 119.30 2bwt h LEU 433 Ca 0.01 0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.58 2bwt h LEU 433 Cb 0.92 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 2bwt h LEU 433 CO 0.07 0.25 -0.56 0.24 -0.34 0.00 0.00 178.44 178.10 2bwt h MET 434 N 0.49 0.70 -0.60 1.25 2.86 -1.17 -2.46 114.93 116.00 2bwt h MET 434 Ca 0.22 -0.45 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 2bwt h MET 434 Cb 0.13 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 2bwt h MET 434 CO -0.15 1.07 0.26 0.28 1.06 0.00 0.00 176.91 179.43 2bwt h VAL 435 N 0.54 1.22 -0.51 -2.22 2.07 -1.06 -2.53 116.25 113.76 2bwt h VAL 435 Ca 0.01 -0.66 0.07 0.00 0.82 0.00 0.00 66.70 66.93 2bwt h VAL 435 Cb 1.14 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 2bwt h VAL 435 CO 0.11 0.26 0.18 0.00 0.02 0.00 0.00 177.57 178.15 2bwt h ALA 436 N 1.10 0.63 -0.64 1.67 0.00 -1.04 -2.80 119.26 118.18 2bwt h ALA 436 Ca 0.20 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2bwt h ALA 436 Cb 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2bwt h ALA 436 CO -0.02 -0.21 0.09 0.00 0.00 0.00 0.00 179.25 179.11 2bwt h ALA 437 N 1.34 0.85 0.00 0.00 0.00 -1.31 -2.76 119.26 117.38 2bwt h ALA 437 Ca 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2bwt h ALA 437 Cb 0.26 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2bwt h ALA 437 CO -0.25 0.63 -0.03 0.00 0.00 0.00 0.00 179.25 179.60 2bwt h ARG 438 N 0.99 0.00 0.07 0.00 3.08 -1.20 -3.11 114.38 114.20 2bwt h ARG 438 Ca 0.19 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 2bwt h ARG 438 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2bwt h ARG 438 CO 0.01 0.03 -0.03 0.87 -1.07 0.00 0.00 179.97 179.79 2bwt h LYS 439 N 0.00 -0.09 0.00 0.04 1.57 -1.29 -3.52 116.57 113.29 2bwt h LYS 439 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2bwt h LYS 439 Cb 0.21 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2bwt h LYS 439 CO 0.00 -0.06 0.00 1.04 -0.57 0.00 0.00 179.45 179.87