#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bh3 s GLU 2 N 0.00 1.47 -0.19 1.43 -1.05 -1.26 -4.89 118.70 114.21 2bh3 s GLU 2 Ca 0.00 -1.48 -0.14 0.00 -0.15 0.00 0.00 54.97 53.20 2bh3 s GLU 2 Cb 0.00 0.39 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 2bh3 s GLU 2 CO 0.00 -0.57 0.33 0.42 0.95 0.00 0.00 175.26 176.39 2bh3 s ILE 3 N -3.93 5.26 0.67 1.83 -1.09 -1.26 -4.91 121.20 117.78 2bh3 s ILE 3 Ca 0.30 0.59 -0.11 0.00 -2.23 0.00 0.00 60.65 59.20 2bh3 s ILE 3 Cb 0.02 -3.66 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 2bh3 s ILE 3 CO 0.12 0.32 1.06 -0.94 -1.23 0.00 0.00 174.94 174.27 2bh3 s SER 4 N 0.79 5.67 0.25 3.58 1.04 -1.26 -4.95 113.70 118.82 2bh3 s SER 4 Ca 0.17 1.40 -0.03 0.00 0.48 0.00 0.00 55.95 57.97 2bh3 s SER 4 Cb -0.14 -2.33 0.43 0.00 0.10 0.00 0.00 66.02 64.09 2bh3 s SER 4 CO 0.06 -1.23 1.80 0.03 0.98 0.00 0.00 173.24 174.89 2bh3 h ARG 5 N -0.57 0.75 -0.67 4.02 3.08 -1.98 -2.59 114.38 116.43 2bh3 h ARG 5 Ca -0.44 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.51 2bh3 h ARG 5 Cb 1.22 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 2bh3 h ARG 5 CO 0.61 0.50 0.20 1.96 -1.07 0.00 0.00 179.97 182.17 2bh3 h GLN 6 N 0.78 1.02 -0.15 0.04 7.50 -1.99 -2.13 115.11 120.17 2bh3 h GLN 6 Ca 0.42 -0.21 -0.01 0.00 0.50 0.00 0.00 58.65 59.35 2bh3 h GLN 6 Cb 0.42 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.79 2bh3 h GLN 6 CO -0.27 0.88 0.07 1.49 -1.50 0.00 0.00 178.83 179.50 2bh3 h GLU 7 N 0.99 0.22 -0.80 1.46 4.81 -1.84 0.17 114.58 119.58 2bh3 h GLU 7 Ca 0.22 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.47 2bh3 h GLU 7 Cb 0.29 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 2bh3 h GLU 7 CO -0.01 0.28 0.49 0.74 -0.73 0.00 0.00 179.01 179.78 2bh3 h PHE 8 N 0.12 0.91 -0.37 0.92 0.04 -1.32 -0.58 116.94 116.65 2bh3 h PHE 8 Ca 0.05 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.86 2bh3 h PHE 8 Cb 0.13 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 2bh3 h PHE 8 CO -0.03 0.46 0.24 0.37 -0.60 0.00 0.00 178.31 178.76 2bh3 h GLN 9 N 0.90 0.48 -0.69 1.51 5.75 -1.14 -2.09 115.11 119.84 2bh3 h GLN 9 Ca 0.35 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.85 2bh3 h GLN 9 Cb 0.16 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 2bh3 h GLN 9 CO -0.17 0.32 0.42 0.00 -2.65 0.00 0.00 178.83 176.76 2bh3 h ARG 10 N 0.50 0.80 -0.25 1.69 3.08 0.13 -1.66 114.38 118.67 2bh3 h ARG 10 Ca 0.14 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 2bh3 h ARG 10 Cb -0.05 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 2bh3 h ARG 10 CO -0.04 0.53 0.14 0.00 -1.07 0.00 0.00 179.97 179.53 2bh3 h ARG 11 N 0.82 0.34 -0.65 0.04 3.08 -0.97 -0.35 114.38 116.69 2bh3 h ARG 11 Ca 0.28 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.35 2bh3 h ARG 11 Cb 0.04 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 2bh3 h ARG 11 CO -0.12 0.29 0.37 0.00 -1.07 0.00 0.00 179.97 179.44 2bh3 h ARG 12 N 0.30 0.68 -0.32 0.04 3.08 -1.17 -1.13 114.38 115.86 2bh3 h ARG 12 Ca 0.09 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 2bh3 h ARG 12 Cb 0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2bh3 h ARG 12 CO -0.02 0.45 -0.16 1.96 -1.07 0.00 0.00 179.97 181.13 2bh3 h GLN 13 N 0.70 0.57 -0.36 0.04 1.08 -1.08 -0.88 115.11 115.17 2bh3 h GLN 13 Ca 0.29 -0.19 -0.09 0.00 -1.45 0.00 0.00 58.65 57.21 2bh3 h GLN 13 Cb 0.15 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 2bh3 h GLN 13 CO -0.16 0.71 -0.15 0.00 -0.95 0.00 0.00 178.83 178.28 2bh3 h ALA 14 N 1.31 1.06 0.10 3.87 0.00 -0.51 0.57 119.26 125.65 2bh3 h ALA 14 Ca 0.09 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2bh3 h ALA 14 Cb 0.58 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2bh3 h ALA 14 CO 0.04 0.57 -0.05 1.25 0.00 0.00 0.00 179.25 181.07 2bh3 h LEU 15 N 0.60 -0.11 -1.01 0.00 5.85 -0.95 -3.20 115.31 116.48 2bh3 h LEU 15 Ca 0.10 -0.31 0.12 0.00 0.84 0.00 0.00 57.88 58.63 2bh3 h LEU 15 Cb 0.60 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.57 2bh3 h LEU 15 CO 0.04 0.26 0.63 0.58 -0.34 0.00 0.00 178.44 179.62 2bh3 h VAL 16 N -0.50 0.93 -0.68 1.05 2.07 -1.03 -1.55 116.25 116.52 2bh3 h VAL 16 Ca -0.01 -0.34 0.13 0.00 0.82 0.00 0.00 66.70 67.29 2bh3 h VAL 16 Cb 0.42 -0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 29.93 2bh3 h VAL 16 CO 0.02 0.18 0.20 -0.08 0.02 0.00 0.00 177.57 177.92 2bh3 h GLU 17 N 1.00 0.32 0.00 1.57 4.57 -0.90 -1.95 114.58 119.19 2bh3 h GLU 17 Ca 0.50 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.66 2bh3 h GLU 17 Cb 0.48 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2bh3 h GLU 17 CO -0.26 0.21 0.00 1.96 -1.18 0.00 0.00 179.01 179.74 2bh3 h GLN 18 N 0.33 0.00 -7.00 1.92 4.20 -1.29 -3.46 115.11 109.82 2bh3 h GLN 18 Ca 0.37 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.59 2bh3 h GLN 18 Cb 0.57 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.38 2bh3 h GLN 18 CO -0.42 0.00 0.43 -1.64 -0.67 0.00 0.00 178.83 176.53 2bh3 s MET 19 N -3.15 3.96 0.61 1.46 -1.94 -0.73 -5.02 119.30 114.49 2bh3 s MET 19 Ca 0.09 1.57 -0.19 0.00 -1.71 0.00 0.00 55.69 55.45 2bh3 s MET 19 Cb 0.10 -2.41 -0.02 0.00 2.01 0.00 0.00 34.83 34.51 2bh3 s MET 19 CO 0.60 -0.33 1.27 -0.65 -0.01 0.00 0.00 175.02 175.90 2bh3 s GLN 20 N -2.71 2.78 0.54 2.03 -0.21 -1.26 -5.01 119.66 115.83 2bh3 s GLN 20 Ca 0.62 2.01 -0.20 0.00 0.02 0.00 0.00 55.36 57.80 2bh3 s GLN 20 Cb -0.23 -1.93 -0.06 0.00 1.00 0.00 0.00 33.01 31.79 2bh3 s GLN 20 CO 0.28 -1.41 1.17 -1.25 -2.12 0.00 0.00 175.29 171.96 2bh3 s PRO 21 N -3.29 3.32 -0.62 2.91 0.04 -1.26 -3.71 135.00 132.39 2bh3 s PRO 21 Ca 0.79 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 63.55 2bh3 s PRO 21 Cb -0.36 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2bh3 s PRO 21 CO 0.39 -0.90 0.53 0.41 0.04 0.00 0.00 177.00 177.46 2bh3 n GLY 22 N 0.34 0.08 3.18 0.56 0.00 0.49 -4.82 105.19 105.02 2bh3 n GLY 22 Ca 0.11 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 2bh3 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bh3 s SER 23 N -3.56 0.25 -0.00 1.61 1.04 -0.74 -0.35 113.70 111.94 2bh3 s SER 23 Ca 0.07 -0.89 0.01 0.00 0.48 0.00 0.00 55.95 55.62 2bh3 s SER 23 Cb -0.03 0.31 -0.00 0.00 0.10 0.00 0.00 66.02 66.39 2bh3 s SER 23 CO 0.37 -0.72 -0.04 0.00 0.98 0.00 0.00 173.24 173.83 2bh3 s ALA 24 N -3.93 0.31 -0.15 5.32 0.00 -0.95 -0.56 121.76 121.80 2bh3 s ALA 24 Ca 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 2bh3 s ALA 24 Cb 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 2bh3 s ALA 24 CO -0.07 0.07 -0.00 0.00 0.00 0.00 0.00 175.76 175.76 2bh3 s ALA 25 N -0.03 3.16 -0.24 0.00 0.00 0.25 -0.22 121.76 124.68 2bh3 s ALA 25 Ca 0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 2bh3 s ALA 25 Cb -0.02 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.48 2bh3 s ALA 25 CO -0.00 0.27 -0.06 -0.51 0.00 0.00 0.00 175.76 175.46 2bh3 s LEU 26 N 0.14 3.10 -0.22 0.00 1.43 -0.09 -1.31 118.68 121.74 2bh3 s LEU 26 Ca 0.01 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.34 2bh3 s LEU 26 Cb -0.13 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.46 2bh3 s LEU 26 CO 0.02 -0.11 -0.14 -0.63 0.23 0.00 0.00 176.35 175.72 2bh3 s ILE 27 N 1.35 2.02 0.09 -0.59 1.01 -0.34 -4.49 121.20 120.26 2bh3 s ILE 27 Ca 0.01 -1.24 -0.01 0.00 0.00 0.00 0.00 60.65 59.42 2bh3 s ILE 27 Cb -0.16 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 2bh3 s ILE 27 CO -0.05 0.23 0.26 -0.36 0.00 0.00 0.00 174.94 175.03 2bh3 s PHE 28 N 1.23 3.51 0.55 3.97 0.40 -1.26 -0.88 117.98 125.49 2bh3 s PHE 28 Ca -0.02 0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 56.50 2bh3 s PHE 28 Cb -0.16 -1.81 -0.05 0.00 0.51 0.00 0.00 43.02 41.50 2bh3 s PHE 28 CO -0.09 0.54 0.96 0.00 0.70 0.00 0.00 175.22 177.33 2bh3 s ALA 29 N -1.58 3.15 0.40 5.36 0.00 -0.34 -4.61 121.76 124.14 2bh3 s ALA 29 Ca 0.36 -0.06 -0.26 0.00 0.00 0.00 0.00 51.96 52.00 2bh3 s ALA 29 Cb -0.13 -3.00 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 2bh3 s ALA 29 CO 0.27 -0.43 1.30 0.00 0.00 0.00 0.00 175.76 176.91 2bh3 s ALA 30 N -2.86 3.29 0.68 0.00 0.00 -1.26 -4.81 121.76 116.79 2bh3 s ALA 30 Ca 0.55 1.24 -0.14 0.00 0.00 0.00 0.00 51.96 53.60 2bh3 s ALA 30 Cb -0.10 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.54 2bh3 s ALA 30 CO 0.43 -0.81 1.12 -2.14 0.00 0.00 0.00 175.76 174.36 2bh3 s PRO 31 N -2.20 2.64 0.58 0.00 0.02 -1.26 -4.44 135.00 130.34 2bh3 s PRO 31 Ca 0.56 1.41 -0.20 0.00 0.02 0.00 0.00 61.00 62.80 2bh3 s PRO 31 Cb -0.38 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.17 2bh3 s PRO 31 CO 0.49 -1.38 1.23 -1.21 -0.33 0.00 0.00 177.00 175.80 2bh3 s GLU 32 N -4.16 3.03 -0.11 5.54 2.02 -1.26 -4.91 118.70 118.85 2bh3 s GLU 32 Ca 0.67 1.90 -0.01 0.00 0.02 0.00 0.00 54.97 57.56 2bh3 s GLU 32 Cb -0.21 -2.01 0.03 0.00 0.10 0.00 0.00 34.13 32.03 2bh3 s GLU 32 CO 0.44 -1.18 -0.07 0.08 0.02 0.00 0.00 175.26 174.55 2bh3 s VAL 33 N -1.53 0.98 0.24 2.63 1.01 -1.26 -5.08 120.40 117.39 2bh3 s VAL 33 Ca 0.76 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 2bh3 s VAL 33 Cb -0.32 -1.02 -0.10 0.00 0.00 0.00 0.00 36.38 34.93 2bh3 s VAL 33 CO 0.36 0.34 1.50 -0.89 0.00 0.00 0.00 175.10 176.41 2bh3 s THR 34 N 1.73 2.51 -0.22 3.92 2.01 -1.26 -0.90 115.64 123.43 2bh3 s THR 34 Ca 0.05 0.42 -0.09 0.00 0.31 0.00 0.00 61.69 62.37 2bh3 s THR 34 Cb -0.13 -3.27 -0.19 0.00 0.01 0.00 0.00 72.50 68.93 2bh3 s THR 34 CO -0.08 0.06 -0.00 -1.14 -0.69 0.00 0.00 174.62 172.77 2bh3 n ARG 35 N 2.63 0.65 -3.63 4.92 0.63 -0.00 -4.68 116.66 117.18 2bh3 n ARG 35 Ca 0.09 0.30 -0.02 0.00 -0.92 0.00 0.00 57.85 57.30 2bh3 n ARG 35 Cb 0.39 -1.61 -0.06 0.00 0.45 0.00 0.00 32.46 31.62 2bh3 n ARG 35 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2bh3 s SER 36 N -6.97 -0.51 1.24 6.15 0.15 -0.91 -5.03 113.70 107.82 2bh3 s SER 36 Ca -0.31 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.14 2bh3 s SER 36 Cb 0.09 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 65.65 2bh3 s SER 36 CO 0.62 -0.13 0.00 0.00 1.20 0.00 0.00 173.24 174.93 2bh3 n ALA 37 N 3.81 0.00 1.09 5.45 0.00 -1.26 -0.90 120.51 128.70 2bh3 n ALA 37 Ca -0.18 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.37 2bh3 n ALA 37 Cb 0.57 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.36 2bh3 n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2bh3 n ASP 38 N 5.47 1.89 -4.87 0.00 5.75 -1.26 -4.88 116.55 118.65 2bh3 n ASP 38 Ca 0.00 -1.76 -0.37 0.00 -0.01 0.00 0.00 54.79 52.65 2bh3 n ASP 38 Cb 0.00 -0.13 -0.06 0.00 -1.03 0.00 0.00 41.12 39.90 2bh3 n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2bh3 s SER 39 N -1.52 6.48 0.18 -1.12 1.04 -0.08 -5.03 113.70 113.65 2bh3 s SER 39 Ca 0.32 0.57 0.10 0.00 0.48 0.00 0.00 55.95 57.43 2bh3 s SER 39 Cb 0.18 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 64.15 2bh3 s SER 39 CO 0.26 0.39 -0.19 -1.61 0.98 0.00 0.00 173.24 173.07 2bh3 s GLU 40 N -1.08 1.71 0.72 4.02 2.02 -1.26 -0.82 118.70 124.01 2bh3 s GLU 40 Ca 0.17 -1.40 -0.13 0.00 0.02 0.00 0.00 54.97 53.64 2bh3 s GLU 40 Cb -0.13 -1.98 0.03 0.00 0.10 0.00 0.00 34.13 32.16 2bh3 s GLU 40 CO 0.07 0.42 1.10 0.71 0.02 0.00 0.00 175.26 177.58 2bh3 s TYR 41 N -1.60 2.59 0.24 1.61 2.02 -0.08 -4.69 117.35 117.43 2bh3 s TYR 41 Ca 0.21 1.56 -0.31 0.00 -0.37 0.00 0.00 57.07 58.16 2bh3 s TYR 41 Cb -0.09 -3.11 -0.13 0.00 -0.40 0.00 0.00 41.96 38.23 2bh3 s TYR 41 CO 0.11 -1.76 1.41 -2.30 -1.57 0.00 0.00 175.55 171.44 2bh3 n PRO 42 N -3.01 2.04 -2.01 -1.71 -0.02 -1.26 -4.74 135.00 124.29 2bh3 n PRO 42 Ca 0.10 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 2bh3 n PRO 42 Cb 0.52 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 2bh3 n PRO 42 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2bh3 s TYR 43 N -0.03 3.02 -0.20 6.00 5.04 -1.26 -5.00 117.35 124.92 2bh3 s TYR 43 Ca 0.68 1.02 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 2bh3 s TYR 43 Cb -0.65 -3.82 0.05 0.00 0.35 0.00 0.00 41.96 37.89 2bh3 s TYR 43 CO 0.49 -2.68 -0.06 0.50 -1.34 0.00 0.00 175.55 172.46 2bh3 s ARG 44 N -0.32 1.65 0.50 4.97 6.06 -1.26 -5.12 118.95 125.42 2bh3 s ARG 44 Ca 0.60 -0.76 -0.22 0.00 -2.50 0.00 0.00 55.73 52.84 2bh3 s ARG 44 Cb -0.42 -2.32 -0.06 0.00 0.06 0.00 0.00 34.95 32.21 2bh3 s ARG 44 CO 0.43 -0.49 1.25 -1.14 -2.50 0.00 0.00 175.30 172.85 2bh3 s GLN 45 N 1.49 3.47 0.15 5.12 2.00 -1.26 -4.76 119.66 125.87 2bh3 s GLN 45 Ca -0.02 1.98 -0.34 0.00 -2.00 0.00 0.00 55.36 54.98 2bh3 s GLN 45 Cb -0.17 -2.33 -0.14 0.00 0.80 0.00 0.00 33.01 31.17 2bh3 s GLN 45 CO -0.07 -0.85 1.51 -1.71 -0.50 0.00 0.00 175.29 173.66 2bh3 n ASN 46 N -0.75 2.73 -0.34 6.67 2.85 -1.26 -4.87 115.26 120.29 2bh3 n ASN 46 Ca 0.09 1.10 -0.01 0.00 -0.11 0.00 0.00 54.58 55.64 2bh3 n ASN 46 Cb 0.47 -1.37 0.12 0.00 1.24 0.00 0.00 39.78 40.23 2bh3 n ASN 46 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2bh3 h SER 47 N 5.44 1.01 -0.21 1.20 0.02 -1.93 0.75 113.55 119.83 2bh3 h SER 47 Ca -0.45 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.36 2bh3 h SER 47 Cb 1.27 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 2bh3 h SER 47 CO 0.85 0.70 -0.34 0.44 -1.14 0.00 0.00 176.83 177.34 2bh3 h ASP 48 N 1.18 0.66 -0.49 3.07 3.32 -1.95 0.54 116.42 122.76 2bh3 h ASP 48 Ca 0.36 -0.53 0.01 0.00 0.02 0.00 0.00 57.03 56.89 2bh3 h ASP 48 Cb -0.03 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2bh3 h ASP 48 CO -0.11 1.07 0.32 0.15 -1.72 0.00 0.00 179.24 178.95 2bh3 h PHE 49 N 0.28 0.60 -0.39 4.55 3.57 -1.76 -2.92 116.94 120.87 2bh3 h PHE 49 Ca 0.02 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2bh3 h PHE 49 Cb 0.93 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 2bh3 h PHE 49 CO 0.09 0.38 0.23 2.35 -2.23 0.00 0.00 178.31 179.12 2bh3 h TRP 50 N 0.65 0.52 -0.95 0.41 2.91 -0.79 -2.60 115.95 116.10 2bh3 h TRP 50 Ca 0.18 -0.00 0.25 0.00 1.13 0.00 0.00 58.89 60.44 2bh3 h TRP 50 Cb -0.07 -0.17 -0.13 0.00 -0.51 0.00 0.00 29.16 28.28 2bh3 h TRP 50 CO -0.04 0.38 0.48 -0.92 -1.03 0.00 0.00 178.44 177.30 2bh3 h TYR 51 N 0.51 0.80 -0.00 2.65 3.20 -0.70 0.59 116.97 124.01 2bh3 h TYR 51 Ca 0.14 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2bh3 h TYR 51 Cb 0.02 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.09 2bh3 h TYR 51 CO -0.03 -0.05 -0.50 1.19 -1.64 0.00 0.00 178.16 177.13 2bh3 n PHE 52 N -5.01 0.00 0.00 -3.82 3.72 -1.09 -4.69 117.46 106.57 2bh3 n PHE 52 Ca 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 2bh3 n PHE 52 Cb 0.75 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 2bh3 n PHE 52 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2bh3 n THR 53 N -1.11 0.00 -2.36 4.37 -2.24 -0.69 -4.78 114.28 107.46 2bh3 n THR 53 Ca 0.08 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.66 2bh3 n THR 53 Cb 0.35 -0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.33 2bh3 n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bh3 n GLY 54 N 1.79 -0.38 3.48 3.38 0.00 0.12 -4.94 105.19 108.64 2bh3 n GLY 54 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2bh3 n GLY 54 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2bh3 s PHE 55 N -2.95 3.10 -0.44 1.61 5.36 -1.26 -5.02 117.98 118.37 2bh3 s PHE 55 Ca 0.00 -0.35 0.04 0.00 -0.96 0.00 0.00 56.93 55.66 2bh3 s PHE 55 Cb 0.00 -2.16 0.57 0.00 -0.34 0.00 0.00 43.02 41.09 2bh3 s PHE 55 CO 0.00 -0.24 1.78 -1.71 -1.46 0.00 0.00 175.22 173.59 2bh3 n ASN 56 N 4.49 4.26 -4.64 6.13 5.15 -1.26 -4.78 115.26 124.62 2bh3 n ASN 56 Ca -0.16 -3.70 -0.29 0.00 -0.60 0.00 0.00 54.58 49.82 2bh3 n ASN 56 Cb 0.52 -0.79 -0.09 0.00 -0.53 0.00 0.00 39.78 38.89 2bh3 n ASN 56 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2bh3 s GLU 57 N -3.41 2.33 0.97 1.20 2.02 -1.26 -4.92 118.70 115.63 2bh3 s GLU 57 Ca 0.55 -0.98 -0.15 0.00 0.02 0.00 0.00 54.97 54.41 2bh3 s GLU 57 Cb 0.46 -2.40 0.18 0.00 0.10 0.00 0.00 34.13 32.47 2bh3 s GLU 57 CO 0.05 0.51 1.21 -1.25 0.02 0.00 0.00 175.26 175.80 2bh3 s PRO 58 N -2.40 0.63 -1.14 0.39 0.04 -1.26 -4.56 135.00 126.70 2bh3 s PRO 58 Ca 0.24 -0.07 -0.12 0.00 0.04 0.00 0.00 61.00 61.09 2bh3 s PRO 58 Cb -0.11 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 2bh3 s PRO 58 CO 0.16 -2.48 0.82 0.39 0.04 0.00 0.00 177.00 175.94 2bh3 n GLU 59 N -3.89 -2.34 -3.86 4.56 1.02 -1.26 -4.60 120.64 110.28 2bh3 n GLU 59 Ca 0.11 0.63 -0.11 0.00 -0.02 0.00 0.00 57.16 57.77 2bh3 n GLU 59 Cb 0.60 -4.92 -0.10 0.00 -0.02 0.00 0.00 31.44 27.00 2bh3 n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bh3 s ALA 60 N -3.48 -0.38 -0.12 0.62 0.00 -1.26 -3.26 121.76 113.89 2bh3 s ALA 60 Ca 0.37 -0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.23 2bh3 s ALA 60 Cb -0.10 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.16 2bh3 s ALA 60 CO 0.81 -0.21 0.25 0.08 0.00 0.00 0.00 175.76 176.70 2bh3 s VAL 61 N -1.30 -0.25 -0.18 0.00 1.01 -0.06 -1.19 120.40 118.44 2bh3 s VAL 61 Ca -0.14 0.22 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 2bh3 s VAL 61 Cb -0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 2bh3 s VAL 61 CO 0.02 0.09 0.50 -0.22 0.00 0.00 0.00 175.10 175.49 2bh3 s LEU 62 N 1.91 4.18 -0.25 3.92 2.96 -0.06 -0.64 118.68 130.71 2bh3 s LEU 62 Ca -0.03 0.71 -0.00 0.00 -0.22 0.00 0.00 54.13 54.58 2bh3 s LEU 62 Cb -0.11 -2.69 0.04 0.00 0.50 0.00 0.00 46.19 43.92 2bh3 s LEU 62 CO -0.08 -0.12 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.05 2bh3 s VAL 63 N 1.33 2.64 -0.27 1.68 1.01 0.99 -1.19 120.40 126.58 2bh3 s VAL 63 Ca 0.24 -1.19 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 2bh3 s VAL 63 Cb -0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2bh3 s VAL 63 CO 0.10 0.16 0.12 -0.76 0.00 0.00 0.00 175.10 174.71 2bh3 s LEU 64 N 1.26 3.73 -0.24 3.92 1.43 -0.43 -0.68 118.68 127.67 2bh3 s LEU 64 Ca -0.02 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 52.82 2bh3 s LEU 64 Cb -0.17 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 2bh3 s LEU 64 CO -0.05 -0.07 0.01 -0.63 0.23 0.00 0.00 176.35 175.84 2bh3 s ILE 65 N 1.66 3.76 -0.39 -0.59 1.01 0.14 -0.58 121.20 126.21 2bh3 s ILE 65 Ca 0.06 -0.40 -0.13 0.00 0.00 0.00 0.00 60.65 60.18 2bh3 s ILE 65 Cb -0.16 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.58 2bh3 s ILE 65 CO 0.06 0.36 0.25 -0.75 0.00 0.00 0.00 174.94 174.85 2bh3 s LYS 66 N 1.53 2.90 -0.03 2.79 2.20 0.28 -1.18 119.74 128.23 2bh3 s LYS 66 Ca 0.06 -1.04 -0.21 0.00 -0.36 0.00 0.00 55.97 54.41 2bh3 s LYS 66 Cb -0.15 -3.83 -0.28 0.00 -1.51 0.00 0.00 37.83 32.06 2bh3 s LYS 66 CO -0.00 -0.71 0.98 0.77 -0.36 0.00 0.00 175.35 176.02 2bh3 h SER 67 N 8.52 0.47 -1.02 1.43 0.02 -1.32 0.16 113.55 121.81 2bh3 h SER 67 Ca -0.26 -0.87 -0.00 0.00 -0.84 0.00 0.00 61.79 59.82 2bh3 h SER 67 Cb 1.11 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2bh3 h SER 67 CO 0.69 1.29 0.00 -0.90 -1.14 0.00 0.00 176.83 176.78 2bh3 n ASP 68 N -4.19 -0.01 0.33 3.07 5.68 -0.90 -2.83 116.55 117.70 2bh3 n ASP 68 Ca -0.12 -1.01 0.22 0.00 -0.50 0.00 0.00 54.79 53.38 2bh3 n ASP 68 Cb 0.74 0.02 1.14 0.00 -1.14 0.00 0.00 41.12 41.88 2bh3 n ASP 68 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2bh3 h ASP 69 N 0.01 0.00 0.00 -1.12 5.19 -1.97 -2.94 116.42 115.59 2bh3 h ASP 69 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2bh3 h ASP 69 Cb 0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.52 2bh3 h ASP 69 CO 0.00 0.00 -1.05 0.35 -3.12 0.00 0.00 179.24 175.42 2bh3 n THR 70 N -3.13 0.00 -3.97 0.35 -2.24 -1.26 -5.02 114.28 99.01 2bh3 n THR 70 Ca -0.03 -0.17 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 2bh3 n THR 70 Cb 0.10 0.50 -0.14 0.00 -2.10 0.00 0.00 70.33 68.69 2bh3 n THR 70 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2bh3 s HIS 71 N -2.20 3.03 0.09 4.78 5.65 -1.11 -5.08 115.29 120.44 2bh3 s HIS 71 Ca -0.01 -1.50 -0.14 0.00 0.25 0.00 0.00 55.06 53.66 2bh3 s HIS 71 Cb 0.04 -2.05 0.02 0.00 -1.18 0.00 0.00 32.58 29.41 2bh3 s HIS 71 CO 0.22 -0.72 0.33 0.54 -0.65 0.00 0.00 174.74 174.46 2bh3 s ASN 72 N 1.34 -0.12 0.17 9.88 2.20 -1.26 -0.97 114.94 126.17 2bh3 s ASN 72 Ca 0.01 -0.34 -0.09 0.00 -0.94 0.00 0.00 52.86 51.51 2bh3 s ASN 72 Cb -0.16 0.41 -0.01 0.00 -2.00 0.00 0.00 41.25 39.49 2bh3 s ASN 72 CO -0.05 -0.75 0.29 -1.38 -2.94 0.00 0.00 177.10 172.27 2bh3 s HIS 73 N -3.40 0.46 -0.04 1.54 -3.43 -0.32 -5.00 115.29 105.10 2bh3 s HIS 73 Ca 0.01 -0.81 0.06 0.00 -0.80 0.00 0.00 55.06 53.52 2bh3 s HIS 73 Cb 0.02 -0.08 -0.01 0.00 -1.43 0.00 0.00 32.58 31.08 2bh3 s HIS 73 CO -0.09 -0.74 -0.24 -1.54 -2.00 0.00 0.00 174.74 170.14 2bh3 s SER 74 N -2.99 2.84 -0.08 7.38 1.04 -1.26 -0.68 113.70 119.95 2bh3 s SER 74 Ca 0.19 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 56.20 2bh3 s SER 74 Cb 0.03 -0.60 0.01 0.00 0.10 0.00 0.00 66.02 65.55 2bh3 s SER 74 CO 0.02 0.25 -0.18 -0.69 0.98 0.00 0.00 173.24 173.62 2bh3 s VAL 75 N -0.29 1.56 -0.17 5.02 1.01 0.14 -2.44 120.40 125.23 2bh3 s VAL 75 Ca 0.01 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 2bh3 s VAL 75 Cb -0.12 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 2bh3 s VAL 75 CO 0.02 0.45 0.05 -0.22 0.00 0.00 0.00 175.10 175.39 2bh3 s LEU 76 N 0.47 3.75 -0.19 3.92 2.96 0.28 -0.01 118.68 129.86 2bh3 s LEU 76 Ca -0.16 0.07 -0.12 0.00 -0.22 0.00 0.00 54.13 53.70 2bh3 s LEU 76 Cb -0.16 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 2bh3 s LEU 76 CO 0.06 0.19 0.22 -0.36 -1.32 0.00 0.00 176.35 175.14 2bh3 s PHE 77 N 0.26 3.40 0.23 5.38 0.08 0.19 -0.00 117.98 127.52 2bh3 s PHE 77 Ca 0.03 0.43 -0.11 0.00 0.12 0.00 0.00 56.93 57.40 2bh3 s PHE 77 Cb -0.12 -2.28 -0.01 0.00 -0.57 0.00 0.00 43.02 40.04 2bh3 s PHE 77 CO 0.01 0.20 0.41 0.54 -0.10 0.00 0.00 175.22 176.27 2bh3 s ASN 78 N 0.60 -0.05 0.33 1.36 4.22 -0.37 -0.88 114.94 120.15 2bh3 s ASN 78 Ca 0.12 -0.97 -0.29 0.00 -2.14 0.00 0.00 52.86 49.58 2bh3 s ASN 78 Cb -0.12 0.54 -0.11 0.00 1.28 0.00 0.00 41.25 42.84 2bh3 s ASN 78 CO 0.02 -1.07 1.45 -0.13 -2.04 0.00 0.00 177.10 175.33 2bh3 s ARG 79 N -4.03 4.20 0.70 3.55 0.52 -1.20 -0.69 118.95 122.00 2bh3 s ARG 79 Ca 0.24 2.44 -0.12 0.00 -0.52 0.00 0.00 55.73 57.76 2bh3 s ARG 79 Cb 0.01 -3.03 0.02 0.00 0.52 0.00 0.00 34.95 32.47 2bh3 s ARG 79 CO 0.08 -0.44 1.08 0.54 0.02 0.00 0.00 175.30 176.58 2bh3 s VAL 80 N -0.77 3.66 0.38 3.52 0.11 -1.26 -3.77 120.40 122.28 2bh3 s VAL 80 Ca 0.54 0.61 -0.25 0.00 -2.93 0.00 0.00 61.98 59.95 2bh3 s VAL 80 Cb -0.44 -3.20 -0.09 0.00 -1.53 0.00 0.00 36.38 31.12 2bh3 s VAL 80 CO 0.55 -0.64 1.09 -0.13 -3.33 0.00 0.00 175.10 172.64 2bh3 s ARG 81 N -4.71 4.20 -0.25 1.54 0.52 -1.26 -4.83 118.95 114.16 2bh3 s ARG 81 Ca 0.61 1.65 -0.03 0.00 -0.52 0.00 0.00 55.73 57.44 2bh3 s ARG 81 Cb -0.16 -2.68 0.14 0.00 0.52 0.00 0.00 34.95 32.77 2bh3 s ARG 81 CO 0.51 -0.14 0.41 0.34 0.02 0.00 0.00 175.30 176.44 2bh3 s ASP 82 N -1.33 -0.02 0.17 0.23 -1.08 -1.26 -5.06 116.67 108.32 2bh3 s ASP 82 Ca 0.55 0.36 -0.14 0.00 -0.52 0.00 0.00 52.55 52.80 2bh3 s ASP 82 Cb -0.26 1.28 0.11 0.00 -1.46 0.00 0.00 42.92 42.59 2bh3 s ASP 82 CO 0.33 -0.29 1.78 0.25 0.52 0.00 0.00 175.17 177.75 2bh3 h LEU 83 N 8.16 0.31 -0.19 -1.34 5.85 -1.98 -0.76 115.31 125.35 2bh3 h LEU 83 Ca -0.20 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 2bh3 h LEU 83 Cb 1.15 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2bh3 h LEU 83 CO 0.26 0.22 0.01 0.74 -0.34 0.00 0.00 178.44 179.33 2bh3 h THR 84 N 0.44 1.25 -0.33 1.05 2.02 -1.99 0.08 112.91 115.42 2bh3 h THR 84 Ca 0.20 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 2bh3 h THR 84 Cb 0.13 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 2bh3 h THR 84 CO -0.15 0.25 0.10 0.00 0.37 0.00 0.00 175.52 176.08 2bh3 h ALA 85 N 0.79 1.55 0.21 6.16 0.00 -1.92 -2.17 119.26 123.88 2bh3 h ALA 85 Ca 0.05 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 54.54 2bh3 h ALA 85 Cb 0.37 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.04 2bh3 h ALA 85 CO 0.01 0.34 -1.36 0.93 0.00 0.00 0.00 179.25 179.17 2bh3 h GLU 86 N 0.47 0.44 -0.98 0.00 5.08 -0.94 0.25 114.58 118.90 2bh3 h GLU 86 Ca 0.11 -0.75 0.19 0.00 -1.00 0.00 0.00 59.36 57.91 2bh3 h GLU 86 Cb 0.16 0.28 -0.10 0.00 0.50 0.00 0.00 28.75 29.60 2bh3 h GLU 86 CO -0.01 1.36 0.61 0.82 -1.00 0.00 0.00 179.01 180.80 2bh3 h ILE 87 N -0.02 0.71 0.00 3.13 2.04 -0.95 -0.94 117.51 121.47 2bh3 h ILE 87 Ca -0.25 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 2bh3 h ILE 87 Cb 2.01 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2bh3 h ILE 87 CO 0.22 0.12 -0.25 -0.50 0.00 0.00 0.00 178.15 177.74 2bh3 h TRP 88 N 0.68 0.00 0.00 1.37 4.06 -1.35 -3.43 115.95 117.28 2bh3 h TRP 88 Ca 0.55 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.50 2bh3 h TRP 88 Cb 0.97 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.13 2bh3 h TRP 88 CO -0.00 1.03 -0.82 1.19 -3.56 0.00 0.00 178.44 176.28 2bh3 n PHE 89 N -4.59 0.00 0.00 0.49 3.72 0.07 -5.11 117.46 112.05 2bh3 n PHE 89 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2bh3 n PHE 89 Cb 0.49 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 2bh3 n PHE 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bh3 n GLY 90 N 1.79 3.39 3.75 1.37 0.00 -0.36 -5.01 105.19 110.12 2bh3 n GLY 90 Ca -0.00 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.82 2bh3 n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bh3 s ARG 91 N -2.54 2.99 0.04 1.61 0.52 -1.26 -4.23 118.95 116.08 2bh3 s ARG 91 Ca 0.00 1.90 0.07 0.00 -0.52 0.00 0.00 55.73 57.19 2bh3 s ARG 91 Cb 0.00 -1.98 -0.02 0.00 0.52 0.00 0.00 34.95 33.46 2bh3 s ARG 91 CO 0.00 -1.21 -0.21 1.03 0.02 0.00 0.00 175.30 174.92 2bh3 s ARG 92 N -3.25 1.45 0.10 3.54 0.52 -1.26 -5.05 118.95 115.00 2bh3 s ARG 92 Ca 0.77 -0.94 -0.20 0.00 -0.52 0.00 0.00 55.73 54.84 2bh3 s ARG 92 Cb -0.32 -1.56 -0.08 0.00 0.52 0.00 0.00 34.95 33.50 2bh3 s ARG 92 CO 0.36 0.40 1.66 1.25 0.02 0.00 0.00 175.30 178.99 2bh3 h LEU 93 N 4.93 0.26 0.00 2.53 5.85 -1.95 -3.47 115.31 123.46 2bh3 h LEU 93 Ca -0.43 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.19 2bh3 h LEU 93 Cb 1.16 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2bh3 h LEU 93 CO 0.44 0.32 -0.03 0.61 -0.34 0.00 0.00 178.44 179.44 2bh3 n GLY 94 N -0.81 -1.95 0.14 3.75 0.00 -1.25 -4.35 105.19 100.72 2bh3 n GLY 94 Ca -0.04 -1.37 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 2bh3 n GLY 94 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2bh3 h GLN 95 N 0.00 0.33 -0.30 1.61 7.50 -1.90 -3.33 115.11 119.03 2bh3 h GLN 95 Ca 0.00 -0.57 0.03 0.00 0.50 0.00 0.00 58.65 58.61 2bh3 h GLN 95 Cb 0.07 0.21 -0.03 0.00 0.05 0.00 0.00 27.48 27.78 2bh3 h GLN 95 CO 0.00 1.27 0.10 -0.44 -1.50 0.00 0.00 178.83 178.27 2bh3 h ASP 96 N 0.07 0.11 1.18 1.46 3.32 -1.91 -2.95 116.42 117.70 2bh3 h ASP 96 Ca -0.38 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2bh3 h ASP 96 Cb 2.05 0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.62 2bh3 h ASP 96 CO 0.13 0.10 -0.20 0.00 -1.72 0.00 0.00 179.24 177.55 2bh3 n ALA 97 N -2.30 2.54 -0.04 3.45 0.00 -1.26 -4.38 120.51 118.52 2bh3 n ALA 97 Ca -0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 2bh3 n ALA 97 Cb 0.10 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.11 2bh3 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bh3 h ALA 98 N 2.62 0.15 -0.62 0.00 0.00 -1.63 -1.49 119.26 118.29 2bh3 h ALA 98 Ca 0.00 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.80 2bh3 h ALA 98 Cb 0.69 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.33 2bh3 h ALA 98 CO 0.00 -0.10 -0.07 -1.35 0.00 0.00 0.00 179.25 177.73 2bh3 h PRO 99 N -0.13 0.05 -0.04 0.00 0.11 -1.75 0.10 132.00 130.35 2bh3 h PRO 99 Ca 0.02 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 2bh3 h PRO 99 Cb 0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 2bh3 h PRO 99 CO 0.01 0.04 -0.06 1.49 -0.21 0.00 0.00 178.00 179.27 2bh3 h GLU 100 N 0.06 0.10 -0.29 1.05 4.22 -1.80 0.16 114.58 118.08 2bh3 h GLU 100 Ca 0.31 -0.06 0.01 0.00 0.08 0.00 0.00 59.36 59.70 2bh3 h GLU 100 Cb 0.50 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2bh3 h GLU 100 CO -0.59 0.62 0.16 -0.22 -2.18 0.00 0.00 179.01 176.81 2bh3 h LYS 101 N -0.40 0.32 -0.02 1.92 1.63 -0.94 -3.24 116.57 115.83 2bh3 h LYS 101 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2bh3 h LYS 101 Cb 0.61 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2bh3 h LYS 101 CO 0.01 0.21 -0.01 1.28 -3.45 0.00 0.00 179.45 177.50 2bh3 n LEU 102 N -4.94 2.33 -2.15 5.20 4.77 0.33 -5.01 117.00 117.55 2bh3 n LEU 102 Ca -0.01 -1.00 -0.15 0.00 -0.03 0.00 0.00 56.01 54.82 2bh3 n LEU 102 Cb 0.05 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 2bh3 n LEU 102 CO 0.32 0.42 -0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2bh3 n GLY 103 N 0.91 -0.15 3.87 -0.72 0.00 0.51 -4.95 105.19 104.66 2bh3 n GLY 103 Ca 0.09 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 2bh3 n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bh3 s VAL 104 N -2.98 4.74 0.06 1.61 -7.23 -1.00 -5.01 120.40 110.58 2bh3 s VAL 104 Ca 0.21 -1.20 0.10 0.00 -1.81 0.00 0.00 61.98 59.28 2bh3 s VAL 104 Cb -0.09 -3.54 -0.11 0.00 0.56 0.00 0.00 36.38 33.20 2bh3 s VAL 104 CO 0.26 -0.29 1.36 0.44 -0.31 0.00 0.00 175.10 176.56 2bh3 h ASP 105 N 1.57 0.00 -4.00 4.85 3.32 -1.79 -3.39 116.42 116.98 2bh3 h ASP 105 Ca -0.49 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.46 2bh3 h ASP 105 Cb 1.23 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.55 2bh3 h ASP 105 CO 0.62 0.82 -0.14 -0.60 -1.72 0.00 0.00 179.24 178.21 2bh3 s ARG 106 N -2.87 0.59 -0.05 3.56 3.52 -1.06 -4.95 118.95 117.68 2bh3 s ARG 106 Ca 0.02 0.62 0.02 0.00 -0.13 0.00 0.00 55.73 56.26 2bh3 s ARG 106 Cb 0.10 0.29 0.01 0.00 -1.56 0.00 0.00 34.95 33.78 2bh3 s ARG 106 CO 0.79 -0.08 -0.11 0.00 -0.81 0.00 0.00 175.30 175.09 2bh3 s ALA 107 N 0.13 1.11 0.29 6.12 0.00 -1.26 -0.55 121.76 127.60 2bh3 s ALA 107 Ca -0.01 -0.35 0.07 0.00 0.00 0.00 0.00 51.96 51.67 2bh3 s ALA 107 Cb -0.03 -0.50 -0.06 0.00 0.00 0.00 0.00 23.12 22.53 2bh3 s ALA 107 CO 0.01 0.11 -0.07 -0.51 0.00 0.00 0.00 175.76 175.30 2bh3 s LEU 108 N 0.61 2.53 -0.00 0.00 1.43 1.00 -4.88 118.68 119.36 2bh3 s LEU 108 Ca -0.12 -1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 51.49 2bh3 s LEU 108 Cb -0.14 -0.71 -0.03 0.00 0.03 0.00 0.00 46.19 45.33 2bh3 s LEU 108 CO 0.03 -0.31 1.07 0.00 0.23 0.00 0.00 176.35 177.36 2bh3 s ALA 109 N -2.93 3.29 0.46 4.21 0.00 -1.26 -1.24 121.76 124.29 2bh3 s ALA 109 Ca 0.30 0.61 0.18 0.00 0.00 0.00 0.00 51.96 53.06 2bh3 s ALA 109 Cb 0.03 -3.40 1.15 0.00 0.00 0.00 0.00 23.12 20.91 2bh3 s ALA 109 CO 0.13 -0.39 1.94 0.35 0.00 0.00 0.00 175.76 177.79 2bh3 h PHE 110 N 6.91 0.34 0.00 0.00 3.57 -1.19 0.80 116.94 127.37 2bh3 h PHE 110 Ca -0.39 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.12 2bh3 h PHE 110 Cb 1.20 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2bh3 h PHE 110 CO 0.69 0.13 0.00 0.66 -2.23 0.00 0.00 178.31 177.56 2bh3 h SER 111 N 0.30 0.00 -0.56 0.41 4.64 -1.92 -1.91 113.55 114.51 2bh3 h SER 111 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2bh3 h SER 111 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2bh3 h SER 111 CO -0.08 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.26 2bh3 n GLU 112 N -2.47 3.36 0.00 4.77 -0.58 0.27 -4.71 120.64 121.28 2bh3 n GLU 112 Ca -0.00 -2.70 -0.02 0.00 -0.42 0.00 0.00 57.16 54.01 2bh3 n GLU 112 Cb 0.13 -1.73 0.24 0.00 -0.57 0.00 0.00 31.44 29.51 2bh3 n GLU 112 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 2bh3 h ILE 113 N 3.45 1.24 0.00 -3.67 2.10 -1.37 -2.23 117.51 117.03 2bh3 h ILE 113 Ca 0.00 -1.06 -0.06 0.00 1.08 0.00 0.00 64.86 64.82 2bh3 h ILE 113 Cb 1.26 1.16 -0.01 0.00 -1.09 0.00 0.00 36.82 38.14 2bh3 h ILE 113 CO 0.16 0.35 -0.31 0.78 -1.08 0.00 0.00 178.15 178.05 2bh3 h ASN 114 N 0.47 0.00 1.45 2.19 2.35 -1.84 0.92 115.58 121.12 2bh3 h ASN 114 Ca 0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2bh3 h ASN 114 Cb 0.52 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 2bh3 h ASN 114 CO 0.03 0.31 -0.55 1.56 -1.65 0.00 0.00 177.43 177.13 2bh3 h GLN 115 N 0.00 0.00 0.00 0.81 7.50 -1.78 -3.41 115.11 118.23 2bh3 h GLN 115 Ca -0.00 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.06 2bh3 h GLN 115 Cb 0.81 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.33 2bh3 h GLN 115 CO 0.04 0.02 -1.33 1.04 -1.50 0.00 0.00 178.83 177.10 2bh3 n GLN 116 N -2.88 2.98 -0.21 1.46 1.13 -0.89 -4.71 117.38 114.27 2bh3 n GLN 116 Ca 0.02 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.00 2bh3 n GLN 116 Cb 0.55 -1.12 0.02 0.00 0.11 0.00 0.00 30.24 29.80 2bh3 n GLN 116 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2bh3 h LEU 117 N 0.00 0.82 -1.63 1.08 5.85 -1.04 -2.40 115.31 117.98 2bh3 h LEU 117 Ca -0.13 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 2bh3 h LEU 117 Cb 1.29 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2bh3 h LEU 117 CO 0.00 0.79 -0.01 0.10 -0.34 0.00 0.00 178.44 178.98 2bh3 h TYR 118 N 0.81 0.22 -0.30 1.25 -0.00 -1.82 -1.80 116.97 115.32 2bh3 h TYR 118 Ca 0.19 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.73 58.80 2bh3 h TYR 118 Cb 0.24 -0.07 -0.01 0.00 -0.00 0.00 0.00 36.73 36.89 2bh3 h TYR 118 CO 0.01 0.24 -0.26 1.96 -0.00 0.00 0.00 178.16 180.12 2bh3 h GLN 119 N 0.22 0.60 -0.03 0.10 4.20 -1.72 -0.09 115.11 118.39 2bh3 h GLN 119 Ca 0.05 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.40 2bh3 h GLN 119 Cb 0.17 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2bh3 h GLN 119 CO 0.00 0.80 -0.54 -0.07 -0.67 0.00 0.00 178.83 178.36 2bh3 h LEU 120 N 0.52 0.09 0.00 1.46 3.38 -1.09 -3.21 115.31 116.47 2bh3 h LEU 120 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2bh3 h LEU 120 Cb 0.72 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2bh3 h LEU 120 CO 0.06 0.62 -0.71 -0.07 0.09 0.00 0.00 178.44 178.42 2bh3 h LEU 121 N 0.07 0.00 -9.35 1.67 3.38 -1.11 -3.46 115.31 106.50 2bh3 h LEU 121 Ca -0.00 -0.21 -0.62 0.00 0.09 0.00 0.00 57.88 57.14 2bh3 h LEU 121 Cb 0.98 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.76 2bh3 h LEU 121 CO 0.07 0.10 0.90 -3.20 0.09 0.00 0.00 178.44 176.41 2bh3 n ASN 122 N -2.17 3.04 0.00 -0.43 5.15 -0.07 -2.09 115.26 118.69 2bh3 n ASN 122 Ca 0.03 1.04 0.00 0.00 -0.60 0.00 0.00 54.58 55.04 2bh3 n ASN 122 Cb 0.45 -1.35 0.00 0.00 -0.53 0.00 0.00 39.78 38.35 2bh3 n ASN 122 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bh3 n GLY 123 N 3.83 1.27 3.85 8.20 0.00 -0.65 -4.96 105.19 116.72 2bh3 n GLY 123 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2bh3 n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bh3 s LEU 124 N 0.00 3.12 -0.14 0.99 1.43 -0.89 -4.98 118.68 118.21 2bh3 s LEU 124 Ca 0.00 1.46 0.14 0.00 -1.03 0.00 0.00 54.13 54.70 2bh3 s LEU 124 Cb 0.00 -4.39 -0.24 0.00 0.03 0.00 0.00 46.19 41.59 2bh3 s LEU 124 CO 0.00 -1.20 0.30 0.47 0.23 0.00 0.00 176.35 176.15 2bh3 n ASP 125 N -2.96 0.50 -3.96 2.29 8.00 0.53 -3.19 116.55 117.76 2bh3 n ASP 125 Ca 0.07 0.16 -0.16 0.00 0.71 0.00 0.00 54.79 55.58 2bh3 n ASP 125 Cb 0.54 0.46 -0.14 0.00 -0.02 0.00 0.00 41.12 41.96 2bh3 n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bh3 s VAL 126 N -2.54 0.41 -0.10 2.53 1.01 -1.08 -2.94 120.40 117.69 2bh3 s VAL 126 Ca -0.09 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2bh3 s VAL 126 Cb 0.07 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 36.10 2bh3 s VAL 126 CO 0.82 0.08 -0.18 0.54 0.00 0.00 0.00 175.10 176.35 2bh3 s VAL 127 N -0.20 1.67 -0.30 2.92 0.11 -0.33 -2.25 120.40 122.02 2bh3 s VAL 127 Ca 0.01 -0.77 -0.18 0.00 -2.93 0.00 0.00 61.98 58.11 2bh3 s VAL 127 Cb -0.02 -1.49 -0.02 0.00 -1.53 0.00 0.00 36.38 33.32 2bh3 s VAL 127 CO -0.00 0.47 0.50 -0.31 -3.33 0.00 0.00 175.10 172.43 2bh3 s TYR 128 N 0.67 3.23 -0.11 1.54 1.51 0.70 -0.84 117.35 124.05 2bh3 s TYR 128 Ca -0.13 0.44 -0.07 0.00 -1.01 0.00 0.00 57.07 56.30 2bh3 s TYR 128 Cb -0.16 -2.78 0.04 0.00 -0.11 0.00 0.00 41.96 38.94 2bh3 s TYR 128 CO 0.03 -0.37 0.26 -1.58 -1.11 0.00 0.00 175.55 172.78 2bh3 s HIS 129 N 2.32 -0.33 -1.22 2.71 2.46 -0.38 -0.91 115.29 119.94 2bh3 s HIS 129 Ca 0.19 0.78 -0.17 0.00 0.47 0.00 0.00 55.06 56.33 2bh3 s HIS 129 Cb -0.16 0.08 0.10 0.00 -0.13 0.00 0.00 32.58 32.48 2bh3 s HIS 129 CO 0.11 -0.20 1.58 0.00 -2.47 0.00 0.00 174.74 173.75 2bh3 s ALA 130 N 0.86 3.46 0.17 1.58 0.00 -1.26 -4.01 121.76 122.55 2bh3 s ALA 130 Ca -0.06 -2.97 -0.31 0.00 0.00 0.00 0.00 51.96 48.62 2bh3 s ALA 130 Cb -0.07 -4.44 -0.10 0.00 0.00 0.00 0.00 23.12 18.51 2bh3 s ALA 130 CO -0.06 -3.16 1.50 -1.14 0.00 0.00 0.00 175.76 172.91 2bh3 s GLN 131 N 3.42 4.25 0.00 0.00 0.74 -1.26 -2.43 119.66 124.38 2bh3 s GLN 131 Ca 0.48 2.28 0.00 0.00 0.05 0.00 0.00 55.36 58.18 2bh3 s GLN 131 Cb 0.01 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.95 2bh3 s GLN 131 CO 0.03 -0.53 0.00 0.41 -0.55 0.00 0.00 175.29 174.64 2bh3 n GLY 132 N 3.44 1.24 0.12 2.59 0.00 -1.26 -4.94 105.19 106.38 2bh3 n GLY 132 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 2bh3 n GLY 132 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bh3 h GLU 133 N 3.36 -0.20 -4.19 1.61 4.57 -1.92 -3.43 114.58 114.38 2bh3 h GLU 133 Ca 0.00 0.01 -0.36 0.00 -1.18 0.00 0.00 59.36 57.83 2bh3 h GLU 133 Cb 0.00 0.05 -0.31 0.00 -0.16 0.00 0.00 28.75 28.33 2bh3 h GLU 133 CO 0.00 0.04 -0.76 0.71 -1.18 0.00 0.00 179.01 177.82 2bh3 s TYR 134 N -5.25 0.57 0.27 0.92 2.02 -1.26 -5.06 117.35 109.56 2bh3 s TYR 134 Ca -0.15 -0.12 -0.03 0.00 -0.37 0.00 0.00 57.07 56.41 2bh3 s TYR 134 Cb 0.04 -0.45 0.35 0.00 -0.40 0.00 0.00 41.96 41.50 2bh3 s TYR 134 CO 0.63 -0.08 1.84 0.00 -1.57 0.00 0.00 175.55 176.37 2bh3 h ALA 135 N 6.52 1.20 -0.40 3.71 0.00 -1.99 -2.24 119.26 126.05 2bh3 h ALA 135 Ca -0.33 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 2bh3 h ALA 135 Cb 1.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2bh3 h ALA 135 CO 0.49 0.57 -0.07 0.10 0.00 0.00 0.00 179.25 180.34 2bh3 h TYR 136 N 0.94 0.74 -0.42 0.00 -0.00 -2.00 -1.81 116.97 114.42 2bh3 h TYR 136 Ca 0.22 -0.12 -0.08 0.00 -0.00 0.00 0.00 58.73 58.75 2bh3 h TYR 136 Cb 0.21 -0.20 -0.01 0.00 -0.00 0.00 0.00 36.73 36.73 2bh3 h TYR 136 CO 0.02 0.74 -0.05 0.00 -0.00 0.00 0.00 178.16 178.87 2bh3 h ALA 137 N 1.28 0.57 -0.57 0.10 0.00 -1.90 -2.43 119.26 116.31 2bh3 h ALA 137 Ca 0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2bh3 h ALA 137 Cb 0.51 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2bh3 h ALA 137 CO 0.03 0.40 0.28 -0.44 0.00 0.00 0.00 179.25 179.52 2bh3 h ASP 138 N 0.60 0.74 -0.05 0.00 3.32 -1.18 -0.60 116.42 119.26 2bh3 h ASP 138 Ca 0.11 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.06 2bh3 h ASP 138 Cb 0.55 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2bh3 h ASP 138 CO 0.03 0.65 -0.06 0.58 -1.72 0.00 0.00 179.24 178.72 2bh3 h VAL 139 N 0.77 0.83 -0.46 -1.35 2.07 -1.30 0.57 116.25 117.38 2bh3 h VAL 139 Ca 0.20 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.74 2bh3 h VAL 139 Cb 0.10 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2bh3 h VAL 139 CO -0.03 0.00 0.26 0.40 0.02 0.00 0.00 177.57 178.23 2bh3 h ILE 140 N -0.08 1.03 -0.18 4.57 2.04 -1.22 -1.24 117.51 122.43 2bh3 h ILE 140 Ca 0.04 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 2bh3 h ILE 140 Cb 0.14 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2bh3 h ILE 140 CO -0.10 0.10 -0.29 0.58 0.00 0.00 0.00 178.15 178.43 2bh3 h VAL 141 N 0.53 1.34 -0.43 1.67 2.07 -0.90 -2.33 116.25 118.21 2bh3 h VAL 141 Ca 0.19 -1.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.13 2bh3 h VAL 141 Cb 0.04 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2bh3 h VAL 141 CO -0.10 0.46 0.01 0.78 0.02 0.00 0.00 177.57 178.75 2bh3 h ASN 142 N 0.16 0.64 -0.43 0.57 2.35 -0.87 -1.93 115.58 116.08 2bh3 h ASN 142 Ca 0.01 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 2bh3 h ASN 142 Cb 0.88 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 2bh3 h ASN 142 CO 0.07 0.71 0.00 -1.28 -1.65 0.00 0.00 177.43 175.27 2bh3 h SER 143 N 0.65 0.75 -0.40 5.81 0.87 -1.21 -1.25 113.55 118.76 2bh3 h SER 143 Ca 0.13 -0.31 0.01 0.00 -1.23 0.00 0.00 61.79 60.40 2bh3 h SER 143 Cb 0.38 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2bh3 h SER 143 CO 0.01 0.87 0.24 0.00 -0.53 0.00 0.00 176.83 177.43 2bh3 h ALA 144 N 0.90 0.51 -0.25 6.23 0.00 -1.15 -2.55 119.26 122.95 2bh3 h ALA 144 Ca 0.12 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 2bh3 h ALA 144 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2bh3 h ALA 144 CO 0.02 -0.09 -0.42 -0.07 0.00 0.00 0.00 179.25 178.70 2bh3 h LEU 145 N 0.49 0.65 -0.52 0.00 3.38 -1.26 -2.76 115.31 115.29 2bh3 h LEU 145 Ca 0.16 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2bh3 h LEU 145 Cb -0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2bh3 h LEU 145 CO -0.07 0.99 0.18 -0.33 0.09 0.00 0.00 178.44 179.30 2bh3 h GLU 146 N 0.50 0.80 -0.59 1.13 4.39 -1.21 0.27 114.58 119.87 2bh3 h GLU 146 Ca 0.04 -0.16 0.11 0.00 0.34 0.00 0.00 59.36 59.68 2bh3 h GLU 146 Cb 0.94 -0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.38 2bh3 h GLU 146 CO 0.08 0.73 0.15 0.87 -1.16 0.00 0.00 179.01 179.68 2bh3 h LYS 147 N 0.71 0.28 -0.13 2.33 1.57 -1.37 -0.94 116.57 119.03 2bh3 h LYS 147 Ca 0.17 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2bh3 h LYS 147 Cb 0.25 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2bh3 h LYS 147 CO -0.01 0.19 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.92 2bh3 h LEU 148 N 0.29 0.28 -0.64 2.94 3.38 -1.25 -1.29 115.31 119.02 2bh3 h LEU 148 Ca 0.31 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.95 2bh3 h LEU 148 Cb 0.44 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 2bh3 h LEU 148 CO -0.37 0.64 0.28 0.03 0.09 0.00 0.00 178.44 179.11 2bh3 h ARG 149 N -0.07 0.49 -0.01 1.13 3.08 -0.78 -2.48 114.38 115.72 2bh3 h ARG 149 Ca 0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2bh3 h ARG 149 Cb 0.54 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2bh3 h ARG 149 CO 0.02 0.32 -0.09 1.63 -1.07 0.00 0.00 179.97 180.78 2bh3 n LYS 150 N -4.93 1.36 -1.22 0.04 5.02 -0.37 -4.31 118.16 113.76 2bh3 n LYS 150 Ca 0.09 -0.78 -0.28 0.00 -2.02 0.00 0.00 58.31 55.32 2bh3 n LYS 150 Cb 0.26 -1.48 0.12 0.00 -0.02 0.00 0.00 35.03 33.90 2bh3 n LYS 150 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bh3 n GLY 151 N 1.23 5.05 0.27 0.72 0.00 -0.49 -4.66 105.19 107.31 2bh3 n GLY 151 Ca 0.17 -1.63 -0.01 0.00 0.00 0.00 0.00 46.02 44.55 2bh3 n GLY 151 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2bh3 h SER 152 N 1.47 0.60 0.73 1.61 0.87 -1.74 0.03 113.55 117.12 2bh3 h SER 152 Ca 0.58 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 61.16 2bh3 h SER 152 Cb 1.71 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.58 2bh3 h SER 152 CO 1.28 0.38 -0.06 0.03 -0.53 0.00 0.00 176.83 177.93 2bh3 h ARG 153 N 0.73 0.00 -0.64 2.24 3.08 -1.90 -1.01 114.38 116.88 2bh3 h ARG 153 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2bh3 h ARG 153 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2bh3 h ARG 153 CO -0.19 0.06 0.00 1.04 -1.07 0.00 0.00 179.97 179.81 2bh3 n GLN 154 N -3.24 3.57 -3.67 0.04 3.00 -0.82 -4.95 117.38 111.32 2bh3 n GLN 154 Ca -0.00 -2.60 -0.25 0.00 -0.01 0.00 0.00 57.00 54.14 2bh3 n GLN 154 Cb 0.28 -1.87 0.07 0.00 0.00 0.00 0.00 30.24 28.71 2bh3 n GLN 154 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2bh3 n ASN 155 N 0.96 -5.46 -4.75 1.08 3.02 -0.38 -5.01 115.26 104.72 2bh3 n ASN 155 Ca 0.23 -0.62 -0.34 0.00 -0.03 0.00 0.00 54.58 53.82 2bh3 n ASN 155 Cb 0.84 -4.72 -0.08 0.00 -0.61 0.00 0.00 39.78 35.22 2bh3 n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bh3 s LEU 156 N -7.21 3.82 -0.02 3.41 1.43 -0.07 -5.00 118.68 115.05 2bh3 s LEU 156 Ca 0.54 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 2bh3 s LEU 156 Cb -0.25 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 43.93 2bh3 s LEU 156 CO 0.76 0.33 -0.02 0.42 0.23 0.00 0.00 176.35 178.07 2bh3 s THR 157 N -1.05 0.27 0.29 5.49 -4.23 -1.26 -3.97 115.64 111.20 2bh3 s THR 157 Ca 0.18 -0.05 -0.18 0.00 -1.18 0.00 0.00 61.69 60.46 2bh3 s THR 157 Cb -0.12 -0.30 -0.09 0.00 1.34 0.00 0.00 72.50 73.33 2bh3 s THR 157 CO 0.08 0.13 0.76 0.00 -0.54 0.00 0.00 174.62 175.05 2bh3 s ALA 158 N 0.53 3.32 0.20 3.99 0.00 -1.26 -1.63 121.76 126.91 2bh3 s ALA 158 Ca -0.06 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.74 2bh3 s ALA 158 Cb -0.09 -2.85 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 2bh3 s ALA 158 CO -0.01 0.30 1.53 -1.25 0.00 0.00 0.00 175.76 176.33 2bh3 s PRO 159 N -2.57 4.23 0.14 0.00 0.04 -1.19 -4.89 135.00 130.76 2bh3 s PRO 159 Ca 0.50 2.35 0.25 0.00 0.04 0.00 0.00 61.00 64.14 2bh3 s PRO 159 Cb -0.13 -3.14 0.47 0.00 0.04 0.00 0.00 34.50 31.74 2bh3 s PRO 159 CO 0.19 -0.55 1.44 0.00 0.04 0.00 0.00 177.00 178.12 2bh3 n ALA 160 N 3.39 2.75 -3.17 8.56 0.00 -1.19 -4.79 120.51 126.06 2bh3 n ALA 160 Ca 0.11 -0.19 -0.35 0.00 0.00 0.00 0.00 53.44 53.02 2bh3 n ALA 160 Cb 0.39 -1.25 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 2bh3 n ALA 160 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2bh3 s THR 161 N -3.15 3.74 -0.13 0.00 2.01 -1.15 -5.08 115.64 111.89 2bh3 s THR 161 Ca 0.07 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.70 2bh3 s THR 161 Cb 0.13 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.96 2bh3 s THR 161 CO 0.69 0.44 -0.17 -0.32 -0.69 0.00 0.00 174.62 174.57 2bh3 s MET 162 N 0.97 3.25 -0.05 4.92 1.75 -1.26 -1.19 119.30 127.69 2bh3 s MET 162 Ca 0.01 -0.76 0.05 0.00 -1.25 0.00 0.00 55.69 53.75 2bh3 s MET 162 Cb -0.14 -2.54 -0.01 0.00 2.84 0.00 0.00 34.83 34.98 2bh3 s MET 162 CO 0.01 0.16 -0.22 0.42 -0.65 0.00 0.00 175.02 174.74 2bh3 s ILE 163 N 0.46 1.83 -0.17 10.11 1.01 -0.02 -4.97 121.20 129.44 2bh3 s ILE 163 Ca -0.12 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.29 2bh3 s ILE 163 Cb -0.16 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 2bh3 s ILE 163 CO 0.05 0.51 1.39 -0.62 0.00 0.00 0.00 174.94 176.28 2bh3 s ASP 164 N -0.10 6.76 0.00 3.58 -1.08 -1.26 -1.25 116.67 123.33 2bh3 s ASP 164 Ca -0.04 1.70 0.29 0.00 -0.52 0.00 0.00 52.55 53.99 2bh3 s ASP 164 Cb -0.13 -2.54 1.25 0.00 -1.46 0.00 0.00 42.92 40.04 2bh3 s ASP 164 CO 0.03 -0.92 1.91 -2.67 0.52 0.00 0.00 175.17 174.04 2bh3 n TRP 165 N 7.15 0.00 -0.09 -5.34 4.27 -1.26 -4.32 117.44 117.84 2bh3 n TRP 165 Ca 0.15 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.68 2bh3 n TRP 165 Cb 0.45 -0.38 -0.01 0.00 -1.36 0.00 0.00 31.31 30.01 2bh3 n TRP 165 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2bh3 h ARG 166 N 0.07 0.41 -0.73 -2.67 3.08 -1.91 0.08 114.38 112.71 2bh3 h ARG 166 Ca 0.00 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.14 2bh3 h ARG 166 Cb 0.42 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.30 2bh3 h ARG 166 CO 0.00 0.27 0.34 -1.35 -1.07 0.00 0.00 179.97 178.16 2bh3 h PRO 167 N 0.43 0.54 -0.15 0.04 0.11 -1.99 0.33 132.00 131.30 2bh3 h PRO 167 Ca 0.12 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 2bh3 h PRO 167 Cb -0.05 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 2bh3 h PRO 167 CO -0.03 0.35 0.03 0.28 -0.21 0.00 0.00 178.00 178.43 2bh3 h VAL 168 N 0.55 1.20 -0.20 3.15 2.07 -1.72 -1.96 116.25 119.35 2bh3 h VAL 168 Ca 0.37 -0.65 -0.18 0.00 0.82 0.00 0.00 66.70 67.07 2bh3 h VAL 168 Cb 0.46 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2bh3 h VAL 168 CO -0.31 0.19 -0.61 0.58 0.02 0.00 0.00 177.57 177.44 2bh3 h VAL 169 N 0.04 1.31 -0.09 2.57 2.07 -0.71 -2.22 116.25 119.21 2bh3 h VAL 169 Ca 0.05 -1.85 -0.12 0.00 0.82 0.00 0.00 66.70 65.60 2bh3 h VAL 169 Cb 0.27 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2bh3 h VAL 169 CO 0.00 0.58 -0.48 0.45 0.02 0.00 0.00 177.57 178.14 2bh3 h HIS 170 N 0.49 0.29 -0.75 1.57 3.86 -0.38 -1.03 115.15 119.20 2bh3 h HIS 170 Ca -0.00 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.06 2bh3 h HIS 170 Cb 1.19 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.56 2bh3 h HIS 170 CO 0.06 0.68 0.25 1.49 0.86 0.00 0.00 177.93 181.26 2bh3 h GLU 171 N 0.19 1.16 -0.06 2.45 4.57 -1.22 -0.37 114.58 121.30 2bh3 h GLU 171 Ca 0.01 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2bh3 h GLU 171 Cb 0.92 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2bh3 h GLU 171 CO 0.07 0.98 0.03 0.52 -1.18 0.00 0.00 179.01 179.44 2bh3 h MET 172 N 1.11 0.08 0.00 1.92 2.86 -1.07 -3.06 114.93 116.77 2bh3 h MET 172 Ca 0.24 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 2bh3 h MET 172 Cb 0.29 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 2bh3 h MET 172 CO -0.01 0.11 -0.09 0.00 1.06 0.00 0.00 176.91 177.98 2bh3 h ARG 173 N 0.02 0.00 -0.10 1.72 3.08 -0.99 -2.42 114.38 115.69 2bh3 h ARG 173 Ca 0.02 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.10 2bh3 h ARG 173 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2bh3 h ARG 173 CO -0.00 0.09 0.07 1.25 -1.07 0.00 0.00 179.97 180.31 2bh3 h LEU 174 N 0.00 0.00 -8.26 3.04 5.85 -0.95 -3.39 115.31 111.60 2bh3 h LEU 174 Ca -0.00 0.00 -0.69 0.00 0.84 0.00 0.00 57.88 58.02 2bh3 h LEU 174 Cb 0.19 0.00 -0.28 0.00 0.37 0.00 0.00 40.66 40.95 2bh3 h LEU 174 CO 0.01 0.00 -0.59 -0.36 -0.34 0.00 0.00 178.44 177.16 2bh3 s PHE 175 N -5.04 3.23 0.15 1.25 0.40 -0.91 -4.14 117.98 112.92 2bh3 s PHE 175 Ca -0.05 -1.27 -0.28 0.00 -0.60 0.00 0.00 56.93 54.73 2bh3 s PHE 175 Cb 0.17 -2.30 -0.07 0.00 0.51 0.00 0.00 43.02 41.33 2bh3 s PHE 175 CO 0.68 -0.69 0.88 0.15 0.70 0.00 0.00 175.22 176.94 2bh3 s LYS 176 N 1.45 4.68 0.88 0.44 3.01 -0.16 -4.97 119.74 125.06 2bh3 s LYS 176 Ca -0.00 1.33 -0.12 0.00 -1.01 0.00 0.00 55.97 56.17 2bh3 s LYS 176 Cb -0.19 -3.32 0.12 0.00 -1.01 0.00 0.00 37.83 33.43 2bh3 s LYS 176 CO 0.03 0.39 1.12 -1.54 0.51 0.00 0.00 175.35 175.86 2bh3 s SER 177 N -0.59 3.78 0.24 2.83 1.04 -1.26 -4.77 113.70 114.96 2bh3 s SER 177 Ca 0.41 1.13 -0.05 0.00 0.48 0.00 0.00 55.95 57.92 2bh3 s SER 177 Cb -0.24 -1.77 0.40 0.00 0.10 0.00 0.00 66.02 64.51 2bh3 s SER 177 CO 0.28 -2.40 1.77 -0.65 0.98 0.00 0.00 173.24 173.22 2bh3 h PRO 178 N -1.39 0.56 -0.62 4.02 0.11 -1.98 -0.65 132.00 132.05 2bh3 h PRO 178 Ca -0.50 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.62 2bh3 h PRO 178 Cb 1.31 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2bh3 h PRO 178 CO 0.60 0.37 0.36 0.93 -0.21 0.00 0.00 178.00 180.06 2bh3 h GLU 179 N 0.58 0.69 -0.60 1.05 5.08 -1.93 -0.97 114.58 118.47 2bh3 h GLU 179 Ca 0.39 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.62 2bh3 h GLU 179 Cb 0.47 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2bh3 h GLU 179 CO -0.31 0.45 0.05 0.93 -1.00 0.00 0.00 179.01 179.13 2bh3 h GLU 180 N 0.71 1.02 -0.53 2.33 5.08 -1.78 -2.32 114.58 119.09 2bh3 h GLU 180 Ca 0.26 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2bh3 h GLU 180 Cb 0.07 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2bh3 h GLU 180 CO -0.12 0.98 0.11 0.82 -1.00 0.00 0.00 179.01 179.79 2bh3 h ILE 181 N 0.92 1.23 -0.32 3.13 2.04 -0.84 -0.05 117.51 123.62 2bh3 h ILE 181 Ca 0.18 -0.85 -0.10 0.00 1.00 0.00 0.00 64.86 65.08 2bh3 h ILE 181 Cb 0.49 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2bh3 h ILE 181 CO 0.02 0.31 -0.23 0.00 0.00 0.00 0.00 178.15 178.25 2bh3 h ALA 182 N 1.32 1.00 -0.24 1.87 0.00 -0.97 0.10 119.26 122.34 2bh3 h ALA 182 Ca 0.17 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2bh3 h ALA 182 Cb 0.33 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2bh3 h ALA 182 CO 0.00 0.59 -0.20 0.28 0.00 0.00 0.00 179.25 179.93 2bh3 h VAL 183 N 0.55 1.31 -0.02 0.00 2.07 -0.98 -2.42 116.25 116.76 2bh3 h VAL 183 Ca 0.08 -1.34 -0.08 0.00 0.82 0.00 0.00 66.70 66.18 2bh3 h VAL 183 Cb 0.69 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2bh3 h VAL 183 CO 0.05 0.42 -0.36 -0.07 0.02 0.00 0.00 177.57 177.63 2bh3 h LEU 184 N 0.25 0.04 -0.63 2.57 3.38 -0.90 -1.18 115.31 118.85 2bh3 h LEU 184 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2bh3 h LEU 184 Cb 0.74 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2bh3 h LEU 184 CO 0.05 0.40 0.33 -0.09 0.09 0.00 0.00 178.44 179.22 2bh3 h ARG 185 N 0.04 0.89 -0.29 1.13 2.43 -0.67 -0.36 114.38 117.55 2bh3 h ARG 185 Ca 0.00 -0.11 -0.17 0.00 -0.81 0.00 0.00 59.98 58.89 2bh3 h ARG 185 Cb 0.65 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2bh3 h ARG 185 CO 0.05 0.69 -0.46 -0.09 -1.51 0.00 0.00 179.97 178.65 2bh3 h ARG 186 N 0.87 0.83 -0.92 0.20 9.65 -1.05 -2.08 114.38 121.88 2bh3 h ARG 186 Ca 0.22 -0.50 0.09 0.00 -1.10 0.00 0.00 59.98 58.69 2bh3 h ARG 186 Cb 0.07 0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 28.62 2bh3 h ARG 186 CO -0.03 1.14 0.56 0.00 2.80 0.00 0.00 179.97 184.44 2bh3 h ALA 187 N 0.69 1.31 -0.69 2.80 0.00 -1.13 0.05 119.26 122.29 2bh3 h ALA 187 Ca 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2bh3 h ALA 187 Cb 1.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2bh3 h ALA 187 CO 0.11 0.24 0.28 0.78 0.00 0.00 0.00 179.25 180.66 2bh3 h GLY 188 N 0.97 1.11 0.85 0.00 0.00 -0.85 -0.74 103.07 104.41 2bh3 h GLY 188 Ca 0.43 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 2bh3 h GLY 188 CO -0.22 0.57 0.03 0.83 0.00 0.00 0.00 176.54 177.75 2bh3 h GLU 189 N 0.98 0.39 -0.17 4.80 5.08 -0.98 -0.42 114.58 124.27 2bh3 h GLU 189 Ca 0.23 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2bh3 h GLU 189 Cb 0.21 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2bh3 h GLU 189 CO -0.02 0.54 0.08 0.82 -1.00 0.00 0.00 179.01 179.44 2bh3 h ILE 190 N 0.18 1.00 -0.49 3.13 2.04 -0.93 -0.37 117.51 122.07 2bh3 h ILE 190 Ca 0.07 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2bh3 h ILE 190 Cb 0.35 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2bh3 h ILE 190 CO 0.01 0.03 0.26 0.74 0.00 0.00 0.00 178.15 179.19 2bh3 h THR 191 N 0.18 1.18 -0.65 -0.27 2.02 -1.13 -2.20 112.91 112.03 2bh3 h THR 191 Ca 0.07 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.83 2bh3 h THR 191 Cb 0.01 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 2bh3 h THR 191 CO -0.04 0.19 0.37 0.00 0.37 0.00 0.00 175.52 176.41 2bh3 h ALA 192 N 1.10 0.87 -0.69 6.16 0.00 -0.81 -1.74 119.26 124.14 2bh3 h ALA 192 Ca 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2bh3 h ALA 192 Cb 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2bh3 h ALA 192 CO -0.03 0.06 0.39 0.52 0.00 0.00 0.00 179.25 180.19 2bh3 h MET 193 N 0.69 0.94 -0.19 0.00 2.07 -0.74 -0.74 114.93 116.96 2bh3 h MET 193 Ca 0.29 -0.09 -0.02 0.00 -2.07 0.00 0.00 59.70 57.80 2bh3 h MET 193 Cb 0.15 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 29.68 2bh3 h MET 193 CO -0.17 0.68 0.04 0.00 1.07 0.00 0.00 176.91 178.54 2bh3 h ALA 194 N 1.48 0.26 -0.69 6.32 0.00 -0.90 -2.07 119.26 123.65 2bh3 h ALA 194 Ca 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2bh3 h ALA 194 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2bh3 h ALA 194 CO -0.04 -0.09 0.38 0.45 0.00 0.00 0.00 179.25 179.95 2bh3 h HIS 195 N 0.12 0.94 -0.51 0.00 3.86 -1.03 -1.26 115.15 117.28 2bh3 h HIS 195 Ca 0.06 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 2bh3 h HIS 195 Cb 0.28 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 2bh3 h HIS 195 CO 0.01 0.66 0.29 1.15 0.86 0.00 0.00 177.93 180.90 2bh3 h THR 196 N 0.94 1.01 -0.67 2.45 2.02 -1.10 -2.28 112.91 115.29 2bh3 h THR 196 Ca 0.24 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 2bh3 h THR 196 Cb 0.03 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 2bh3 h THR 196 CO -0.04 0.10 0.23 -0.09 0.37 0.00 0.00 175.52 176.09 2bh3 h ARG 197 N 0.57 1.02 -0.24 6.66 2.43 -1.09 -1.10 114.38 122.63 2bh3 h ARG 197 Ca 0.21 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2bh3 h ARG 197 Cb 0.07 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2bh3 h ARG 197 CO -0.12 0.88 0.12 0.00 -1.51 0.00 0.00 179.97 179.34 2bh3 h ALA 198 N 1.10 0.29 -0.80 2.80 0.00 -1.06 -0.05 119.26 121.54 2bh3 h ALA 198 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.21 2bh3 h ALA 198 Cb 0.26 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2bh3 h ALA 198 CO -0.01 -0.28 0.46 0.52 0.00 0.00 0.00 179.25 179.95 2bh3 h MET 199 N 0.26 0.78 0.00 0.00 2.86 -1.16 -0.95 114.93 116.72 2bh3 h MET 199 Ca 0.10 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 2bh3 h MET 199 Cb 0.02 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 2bh3 h MET 199 CO -0.06 0.52 -0.37 0.93 1.06 0.00 0.00 176.91 178.98 2bh3 h GLU 200 N 0.80 0.00 0.00 1.72 5.08 -0.72 -3.25 114.58 118.21 2bh3 h GLU 200 Ca 0.37 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.57 2bh3 h GLU 200 Cb 0.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2bh3 h GLU 200 CO -0.22 0.37 -1.57 1.63 -1.00 0.00 0.00 179.01 178.22 2bh3 n LYS 201 N -3.55 0.63 -1.68 2.33 4.76 -0.07 -4.73 118.16 115.85 2bh3 n LYS 201 Ca -0.00 0.14 -0.45 0.00 -2.87 0.00 0.00 58.31 55.13 2bh3 n LYS 201 Cb 0.50 -1.74 -0.04 0.00 -1.84 0.00 0.00 35.03 31.91 2bh3 n LYS 201 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bh3 s ARG 203 N 1.54 0.34 0.22 0.00 1.81 -1.26 -4.94 118.95 116.66 2bh3 s ARG 203 Ca 0.80 -0.54 -0.31 0.00 -1.72 0.00 0.00 55.73 53.96 2bh3 s ARG 203 Cb -0.63 -0.06 -0.14 0.00 -0.45 0.00 0.00 34.95 33.67 2bh3 s ARG 203 CO 0.39 -0.00 1.26 -2.30 -0.68 0.00 0.00 175.30 173.96 2bh3 n PRO 204 N 1.85 1.61 0.00 3.54 -0.02 -1.26 -2.52 135.00 138.20 2bh3 n PRO 204 Ca -0.21 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2bh3 n PRO 204 Cb 0.56 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2bh3 n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bh3 n GLY 205 N 1.95 2.46 3.79 -1.23 0.00 0.87 -4.96 105.19 108.06 2bh3 n GLY 205 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2bh3 n GLY 205 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bh3 s MET 206 N -0.85 3.32 0.38 1.61 -1.94 -1.05 -4.70 119.30 116.06 2bh3 s MET 206 Ca 0.00 1.37 -0.08 0.00 -1.71 0.00 0.00 55.69 55.27 2bh3 s MET 206 Cb 0.00 -2.02 -0.05 0.00 2.01 0.00 0.00 34.83 34.76 2bh3 s MET 206 CO 0.00 -0.83 0.70 -0.06 -0.01 0.00 0.00 175.02 174.81 2bh3 s PHE 207 N -2.18 3.49 0.27 -0.03 0.40 -1.26 0.32 117.98 118.98 2bh3 s PHE 207 Ca 0.67 0.86 -0.01 0.00 -0.60 0.00 0.00 56.93 57.85 2bh3 s PHE 207 Cb -0.19 -2.30 0.53 0.00 0.51 0.00 0.00 43.02 41.58 2bh3 s PHE 207 CO 0.32 -0.04 1.78 0.93 0.70 0.00 0.00 175.22 178.92 2bh3 h GLU 208 N 1.22 0.69 0.00 0.44 5.08 -1.27 -1.20 114.58 119.54 2bh3 h GLU 208 Ca -0.47 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 2bh3 h GLU 208 Cb 1.19 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2bh3 h GLU 208 CO 0.64 0.46 -0.08 0.10 -1.00 0.00 0.00 179.01 179.13 2bh3 h TYR 209 N 0.71 0.00 -0.65 4.33 -0.00 -1.51 -2.62 116.97 117.23 2bh3 h TYR 209 Ca 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.16 2bh3 h TYR 209 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.31 2bh3 h TYR 209 CO -0.07 0.08 0.27 0.45 -0.00 0.00 0.00 178.16 178.89 2bh3 h HIS 210 N 0.00 0.96 -0.27 0.10 3.86 -1.52 -0.40 115.15 117.87 2bh3 h HIS 210 Ca -0.00 -0.05 -0.16 0.00 -1.16 0.00 0.00 60.37 59.00 2bh3 h HIS 210 Cb 0.28 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2bh3 h HIS 210 CO 0.00 0.73 -0.46 -0.07 0.86 0.00 0.00 177.93 178.99 2bh3 h LEU 211 N 0.94 0.77 -0.75 2.43 3.38 -1.55 -2.07 115.31 118.46 2bh3 h LEU 211 Ca 0.22 -0.37 0.12 0.00 0.09 0.00 0.00 57.88 57.94 2bh3 h LEU 211 Cb 0.17 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 2bh3 h LEU 211 CO -0.02 1.11 0.35 -0.08 0.09 0.00 0.00 178.44 179.88 2bh3 h GLU 212 N 0.57 0.53 -0.62 1.13 4.81 -1.41 -1.14 114.58 118.45 2bh3 h GLU 212 Ca 0.03 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2bh3 h GLU 212 Cb 1.01 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 2bh3 h GLU 212 CO 0.10 0.35 0.11 0.78 -0.73 0.00 0.00 179.01 179.62 2bh3 h GLY 213 N 0.55 1.10 1.01 1.92 0.00 -0.69 -0.91 103.07 106.04 2bh3 h GLY 213 Ca 0.39 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2bh3 h GLY 213 CO -0.33 0.67 0.28 0.83 0.00 0.00 0.00 176.54 177.99 2bh3 h GLU 214 N 0.93 0.96 -0.04 4.80 4.39 -1.13 -2.24 114.58 122.25 2bh3 h GLU 214 Ca 0.19 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2bh3 h GLU 214 Cb 0.41 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2bh3 h GLU 214 CO 0.01 0.79 -0.00 0.82 -1.16 0.00 0.00 179.01 179.47 2bh3 h ILE 215 N 0.91 1.26 -0.63 3.13 2.04 -1.02 -2.22 117.51 120.99 2bh3 h ILE 215 Ca 0.22 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 2bh3 h ILE 215 Cb 0.17 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2bh3 h ILE 215 CO -0.02 0.22 0.26 0.45 0.00 0.00 0.00 178.15 179.05 2bh3 h HIS 216 N -0.23 0.92 -0.43 1.37 3.86 -1.18 -0.15 115.15 119.31 2bh3 h HIS 216 Ca 0.01 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 2bh3 h HIS 216 Cb 0.35 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 2bh3 h HIS 216 CO 0.04 0.70 0.20 1.25 0.86 0.00 0.00 177.93 180.98 2bh3 h HIS 217 N 0.90 0.62 -0.46 2.45 -0.00 -1.36 -1.40 115.15 115.89 2bh3 h HIS 217 Ca 0.21 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.52 2bh3 h HIS 217 Cb 0.16 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 2bh3 h HIS 217 CO 0.01 0.51 0.16 1.49 -0.00 0.00 0.00 177.93 180.11 2bh3 h GLU 218 N 0.55 0.70 -0.29 5.26 4.57 -0.95 -0.58 114.58 123.84 2bh3 h GLU 218 Ca 0.15 -0.14 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2bh3 h GLU 218 Cb 0.13 -0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 2bh3 h GLU 218 CO -0.02 0.66 -0.24 0.74 -1.18 0.00 0.00 179.01 178.98 2bh3 h PHE 219 N 0.61 -0.62 -0.87 0.92 0.04 -0.91 -2.92 116.94 113.18 2bh3 h PHE 219 Ca 0.15 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.94 2bh3 h PHE 219 Cb 0.23 0.32 -0.04 0.00 2.20 0.00 0.00 35.95 38.66 2bh3 h PHE 219 CO 0.01 -0.31 0.48 -0.97 -0.60 0.00 0.00 178.31 176.91 2bh3 h ASN 220 N -0.22 1.09 0.66 2.17 -0.73 -0.85 -1.42 115.58 116.28 2bh3 h ASN 220 Ca 0.15 -0.10 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 2bh3 h ASN 220 Cb 0.45 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 38.76 2bh3 h ASN 220 CO -0.42 0.88 -0.07 0.08 -0.37 0.00 0.00 177.43 177.53 2bh3 h ARG 221 N 1.22 0.00 -0.48 6.67 0.11 -0.92 -1.31 114.38 119.67 2bh3 h ARG 221 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 2bh3 h ARG 221 Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 2bh3 h ARG 221 CO -0.05 0.07 0.00 0.72 0.10 0.00 0.00 179.97 180.81 2bh3 n HIS 222 N -3.28 0.63 -0.39 4.08 8.25 -1.07 -4.94 115.22 118.50 2bh3 n HIS 222 Ca -0.01 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 2bh3 n HIS 222 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 2bh3 n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bh3 n GLY 223 N 1.42 0.79 3.22 -1.41 0.00 -0.49 -5.02 105.19 103.70 2bh3 n GLY 223 Ca 0.19 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2bh3 n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bh3 s ALA 224 N -2.00 3.90 0.23 4.61 0.00 -0.56 -4.84 121.76 123.11 2bh3 s ALA 224 Ca 0.00 -3.35 -0.07 0.00 0.00 0.00 0.00 51.96 48.54 2bh3 s ALA 224 Cb 0.00 -3.12 0.24 0.00 0.00 0.00 0.00 23.12 20.23 2bh3 s ALA 224 CO 0.00 -2.20 1.90 0.00 0.00 0.00 0.00 175.76 175.46 2bh3 h ARG 225 N 7.32 1.15 -6.72 0.00 3.08 -1.79 -2.87 114.38 114.56 2bh3 h ARG 225 Ca 0.06 -0.07 -0.67 0.00 0.07 0.00 0.00 59.98 59.37 2bh3 h ARG 225 Cb 0.99 -0.26 -0.19 0.00 0.08 0.00 0.00 29.97 30.59 2bh3 h ARG 225 CO 0.75 0.76 -0.80 0.71 -1.07 0.00 0.00 179.97 180.31 2bh3 s TYR 226 N -6.12 2.51 0.71 3.04 2.02 -1.26 -4.73 117.35 113.53 2bh3 s TYR 226 Ca -0.13 -0.27 -0.14 0.00 -0.37 0.00 0.00 57.07 56.16 2bh3 s TYR 226 Cb 0.17 -1.32 0.03 0.00 -0.40 0.00 0.00 41.96 40.43 2bh3 s TYR 226 CO 0.80 0.40 1.12 -2.14 -1.57 0.00 0.00 175.55 174.16 2bh3 s PRO 227 N -2.20 2.47 0.18 -1.71 0.02 -1.26 -0.62 135.00 131.87 2bh3 s PRO 227 Ca 0.18 1.40 0.26 0.00 0.02 0.00 0.00 61.00 62.87 2bh3 s PRO 227 Cb -0.10 -1.91 0.83 0.00 0.02 0.00 0.00 34.50 33.34 2bh3 s PRO 227 CO 0.10 -1.51 1.76 -1.13 -0.33 0.00 0.00 177.00 175.89 2bh3 n SER 228 N -2.82 0.71 -3.64 2.53 3.41 0.01 -4.48 113.62 109.35 2bh3 n SER 228 Ca 0.11 0.53 -0.09 0.00 -0.26 0.00 0.00 58.87 59.15 2bh3 n SER 228 Cb 0.52 -0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 63.76 2bh3 n SER 228 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2bh3 s TYR 229 N -3.09 -0.36 -0.06 7.33 1.13 -1.26 -4.68 117.35 116.36 2bh3 s TYR 229 Ca 0.11 0.03 -0.30 0.00 -1.41 0.00 0.00 57.07 55.50 2bh3 s TYR 229 Cb 0.13 0.63 -0.06 0.00 -1.10 0.00 0.00 41.96 41.57 2bh3 s TYR 229 CO 0.60 -1.02 1.66 -0.80 -2.51 0.00 0.00 175.55 173.48 2bh3 s ASN 230 N -2.83 6.66 0.26 -0.18 0.01 -1.26 -4.75 114.94 112.85 2bh3 s ASN 230 Ca 0.06 2.23 -0.31 0.00 -0.71 0.00 0.00 52.86 54.13 2bh3 s ASN 230 Cb -0.03 -2.53 -0.12 0.00 0.41 0.00 0.00 41.25 38.97 2bh3 s ASN 230 CO -0.03 -0.93 1.52 0.41 -1.51 0.00 0.00 177.10 176.56 2bh3 n THR 231 N 5.50 0.91 -3.81 1.60 -1.04 -1.26 -4.93 114.28 111.25 2bh3 n THR 231 Ca 0.17 -0.23 -0.36 0.00 -2.04 0.00 0.00 64.05 61.60 2bh3 n THR 231 Cb 0.43 -1.74 -0.13 0.00 -1.82 0.00 0.00 70.33 67.07 2bh3 n THR 231 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2bh3 s ILE 232 N 0.05 3.92 -0.51 12.58 1.01 0.13 -4.59 121.20 133.80 2bh3 s ILE 232 Ca 0.67 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 61.03 2bh3 s ILE 232 Cb -0.57 -2.82 0.16 0.00 0.01 0.00 0.00 42.46 39.23 2bh3 s ILE 232 CO 0.48 0.36 0.34 -0.69 0.00 0.00 0.00 174.94 175.43 2bh3 s VAL 233 N 1.56 1.53 -0.53 2.92 1.01 -1.24 -0.82 120.40 124.83 2bh3 s VAL 233 Ca 0.06 -3.08 -0.15 0.00 0.00 0.00 0.00 61.98 58.81 2bh3 s VAL 233 Cb -0.15 -2.04 0.13 0.00 0.00 0.00 0.00 36.38 34.32 2bh3 s VAL 233 CO 0.01 -1.03 0.48 -0.83 0.00 0.00 0.00 175.10 173.73 2bh3 s GLY 234 N -0.26 2.08 0.26 4.51 0.00 -0.11 -4.56 107.32 109.25 2bh3 s GLY 234 Ca 0.24 -2.52 -0.11 0.00 0.00 0.00 0.00 44.72 42.34 2bh3 s GLY 234 CO -0.10 1.18 0.60 -1.35 0.00 0.00 0.00 173.10 173.43 2bh3 s SER 235 N 3.45 6.66 1.55 1.64 1.04 -1.26 -1.60 113.70 125.17 2bh3 s SER 235 Ca 0.03 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.48 2bh3 s SER 235 Cb -0.29 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2bh3 s SER 235 CO 0.03 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.74 2bh3 n GLY 236 N -0.25 3.34 0.31 7.32 0.00 -0.33 -1.95 105.19 113.63 2bh3 n GLY 236 Ca 0.01 -0.20 0.19 0.00 0.00 0.00 0.00 46.02 46.03 2bh3 n GLY 236 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bh3 h GLU 237 N 0.00 0.00 0.00 1.61 5.08 -1.91 -2.18 114.58 117.18 2bh3 h GLU 237 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2bh3 h GLU 237 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2bh3 h GLU 237 CO 0.00 0.02 -0.11 -0.91 -1.00 0.00 0.00 179.01 177.01 2bh3 h ASN 238 N 0.00 0.00 0.24 1.42 2.35 -1.67 -2.19 115.58 115.73 2bh3 h ASN 238 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2bh3 h ASN 238 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2bh3 h ASN 238 CO 0.00 0.11 0.00 1.23 -1.65 0.00 0.00 177.43 177.12 2bh3 h GLY 239 N 0.98 0.00 0.61 2.83 0.00 -1.27 -2.34 103.07 103.87 2bh3 h GLY 239 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bh3 h GLY 239 CO 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.50 2bh3 s ILE 241 N -2.24 4.73 0.11 0.00 1.01 -0.88 -5.01 121.20 118.92 2bh3 s ILE 241 Ca 0.36 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.82 2bh3 s ILE 241 Cb 0.21 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 2bh3 s ILE 241 CO 0.41 0.33 1.53 -0.07 0.00 0.00 0.00 174.94 177.15 2bh3 h LEU 242 N 7.97 0.62 -4.79 2.97 3.38 -1.86 -3.05 115.31 120.55 2bh3 h LEU 242 Ca -0.37 -0.33 -0.65 0.00 0.09 0.00 0.00 57.88 56.62 2bh3 h LEU 242 Cb 1.18 -0.17 -0.37 0.00 0.09 0.00 0.00 40.66 41.39 2bh3 h LEU 242 CO 0.59 0.80 -0.18 1.41 0.09 0.00 0.00 178.44 181.16 2bh3 n HIS 243 N -4.48 3.34 -2.02 1.13 8.25 -1.26 -5.03 115.22 115.16 2bh3 n HIS 243 Ca -0.02 -2.97 -0.43 0.00 -0.26 0.00 0.00 57.72 54.04 2bh3 n HIS 243 Cb 0.30 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 30.93 2bh3 n HIS 243 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2bh3 s TYR 244 N -3.71 1.90 0.00 4.41 5.04 -1.16 -4.85 117.35 118.99 2bh3 s TYR 244 Ca 0.49 0.51 0.00 0.00 -2.44 0.00 0.00 57.07 55.63 2bh3 s TYR 244 Cb 0.39 -4.05 0.00 0.00 0.35 0.00 0.00 41.96 38.65 2bh3 s TYR 244 CO -0.24 -3.16 0.61 0.25 -1.34 0.00 0.00 175.55 171.67 2bh3 n THR 245 N 6.80 0.31 -0.12 4.34 -2.24 -1.26 -3.68 114.28 118.43 2bh3 n THR 245 Ca 0.21 -0.59 -0.04 0.00 -2.27 0.00 0.00 64.05 61.36 2bh3 n THR 245 Cb 0.45 0.93 0.17 0.00 -2.10 0.00 0.00 70.33 69.78 2bh3 n THR 245 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2bh3 h GLU 246 N 0.00 0.82 -6.99 -0.78 3.07 -1.89 -3.47 114.58 105.35 2bh3 h GLU 246 Ca 0.00 -0.20 -0.59 0.00 -0.50 0.00 0.00 59.36 58.06 2bh3 h GLU 246 Cb 0.26 -0.11 -0.26 0.00 -0.84 0.00 0.00 28.75 27.80 2bh3 h GLU 246 CO 0.00 0.79 -0.91 0.09 -1.40 0.00 0.00 179.01 177.59 2bh3 n ASN 247 N -4.24 -1.23 -0.15 1.42 3.02 -1.26 -4.84 115.26 107.98 2bh3 n ASN 247 Ca 0.03 -1.17 0.07 0.00 -0.03 0.00 0.00 54.58 53.47 2bh3 n ASN 247 Cb 0.27 -2.04 -0.04 0.00 -0.61 0.00 0.00 39.78 37.36 2bh3 n ASN 247 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2bh3 n GLU 248 N -4.32 2.16 -3.62 3.52 0.28 -1.26 -1.41 120.64 115.99 2bh3 n GLU 248 Ca -0.06 -0.34 -0.33 0.00 -0.16 0.00 0.00 57.16 56.27 2bh3 n GLU 248 Cb 0.56 -1.18 -0.05 0.00 1.43 0.00 0.00 31.44 32.19 2bh3 n GLU 248 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2bh3 s GLU 250 N -2.37 4.25 -0.06 0.00 2.12 -1.26 -1.08 118.70 120.30 2bh3 s GLU 250 Ca 0.38 2.28 -0.29 0.00 0.36 0.00 0.00 54.97 57.70 2bh3 s GLU 250 Cb -0.13 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 2bh3 s GLU 250 CO 0.22 -0.55 0.98 -1.64 -0.54 0.00 0.00 175.26 173.72 2bh3 s MET 251 N 1.07 4.48 -0.14 4.30 -1.94 0.15 -4.89 119.30 122.33 2bh3 s MET 251 Ca 0.68 1.38 -0.05 0.00 -1.71 0.00 0.00 55.69 55.99 2bh3 s MET 251 Cb -0.42 -3.50 -0.03 0.00 2.01 0.00 0.00 34.83 32.89 2bh3 s MET 251 CO 0.31 -0.18 0.02 1.03 -0.01 0.00 0.00 175.02 176.19 2bh3 s ARG 252 N 1.52 3.56 0.14 2.03 1.81 -1.26 -0.09 118.95 126.66 2bh3 s ARG 252 Ca 0.49 -0.41 -0.34 0.00 -1.72 0.00 0.00 55.73 53.75 2bh3 s ARG 252 Cb -0.19 -2.99 -0.16 0.00 -0.45 0.00 0.00 34.95 31.15 2bh3 s ARG 252 CO 0.22 0.42 1.27 -3.47 -0.68 0.00 0.00 175.30 173.06 2bh3 n ASP 253 N 3.04 1.65 0.00 0.23 -0.08 -1.26 -1.87 116.55 118.26 2bh3 n ASP 253 Ca -0.18 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.23 2bh3 n ASP 253 Cb 0.53 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 42.76 2bh3 n ASP 253 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bh3 n GLY 254 N 2.30 3.07 3.89 0.27 0.00 -1.26 -5.03 105.19 108.43 2bh3 n GLY 254 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2bh3 n GLY 254 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bh3 s ASP 255 N -0.03 6.42 0.40 1.61 1.01 -0.78 -4.97 116.67 120.32 2bh3 s ASP 255 Ca 0.00 0.94 -0.05 0.00 0.71 0.00 0.00 52.55 54.16 2bh3 s ASP 255 Cb 0.00 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 2bh3 s ASP 255 CO 0.00 -0.40 0.68 -0.76 0.21 0.00 0.00 175.17 174.90 2bh3 s LEU 256 N -4.07 3.84 -0.07 1.23 1.43 -1.26 -1.59 118.68 118.19 2bh3 s LEU 256 Ca 0.48 0.81 0.03 0.00 -1.03 0.00 0.00 54.13 54.41 2bh3 s LEU 256 Cb -0.10 -3.70 0.01 0.00 0.03 0.00 0.00 46.19 42.43 2bh3 s LEU 256 CO 0.35 -0.40 -0.15 0.54 0.23 0.00 0.00 176.35 176.92 2bh3 s VAL 257 N -2.45 1.36 -0.26 -1.59 0.11 0.63 -1.18 120.40 117.03 2bh3 s VAL 257 Ca 0.46 -0.62 -0.08 0.00 -2.93 0.00 0.00 61.98 58.80 2bh3 s VAL 257 Cb -0.10 -1.22 -0.03 0.00 -1.53 0.00 0.00 36.38 33.50 2bh3 s VAL 257 CO 0.38 0.40 0.10 -0.22 -3.33 0.00 0.00 175.10 172.43 2bh3 s LEU 258 N 0.51 3.61 -0.26 2.54 0.20 -0.63 -1.28 118.68 123.37 2bh3 s LEU 258 Ca -0.14 -0.19 -0.02 0.00 0.69 0.00 0.00 54.13 54.47 2bh3 s LEU 258 Cb -0.16 -1.97 0.03 0.00 -0.43 0.00 0.00 46.19 43.66 2bh3 s LEU 258 CO 0.05 -0.05 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.38 2bh3 s ILE 259 N 1.65 2.91 -0.34 6.68 1.01 0.05 -0.94 121.20 132.22 2bh3 s ILE 259 Ca 0.06 -1.07 -0.05 0.00 0.00 0.00 0.00 60.65 59.60 2bh3 s ILE 259 Cb -0.15 -2.51 0.05 0.00 0.01 0.00 0.00 42.46 39.86 2bh3 s ILE 259 CO 0.05 0.15 0.09 -0.62 0.00 0.00 0.00 174.94 174.62 2bh3 s ASP 260 N 1.32 5.21 -0.10 3.58 -1.08 0.00 -1.42 116.67 124.17 2bh3 s ASP 260 Ca -0.01 -1.30 -0.14 0.00 -0.52 0.00 0.00 52.55 50.58 2bh3 s ASP 260 Cb -0.17 -1.83 0.03 0.00 -1.46 0.00 0.00 42.92 39.50 2bh3 s ASP 260 CO -0.04 -0.34 0.37 0.00 0.52 0.00 0.00 175.17 175.68 2bh3 s ALA 261 N 1.33 -0.92 -0.14 3.66 0.00 -0.25 -0.69 121.76 124.74 2bh3 s ALA 261 Ca -0.01 0.86 -0.13 0.00 0.00 0.00 0.00 51.96 52.68 2bh3 s ALA 261 Cb -0.20 -0.40 0.04 0.00 0.00 0.00 0.00 23.12 22.56 2bh3 s ALA 261 CO 0.01 -0.21 0.38 0.20 0.00 0.00 0.00 175.76 176.14 2bh3 s GLY 262 N -0.29 -0.29 0.64 0.00 0.00 -1.26 -2.00 107.32 104.12 2bh3 s GLY 262 Ca -0.04 1.11 -0.09 0.00 0.00 0.00 0.00 44.72 45.69 2bh3 s GLY 262 CO 0.02 0.99 1.01 0.00 0.00 0.00 0.00 173.10 175.12 2bh3 s GLU 264 N -5.18 2.68 -0.20 0.00 2.12 0.21 -1.46 118.70 116.86 2bh3 s GLU 264 Ca 0.56 -1.09 0.01 0.00 0.36 0.00 0.00 54.97 54.81 2bh3 s GLU 264 Cb -0.11 -3.08 0.04 0.00 0.26 0.00 0.00 34.13 31.25 2bh3 s GLU 264 CO 0.50 -0.49 -0.13 -0.47 -0.54 0.00 0.00 175.26 174.13 2bh3 s TYR 265 N 1.30 2.64 -1.31 5.30 5.04 -0.26 -4.31 117.35 125.76 2bh3 s TYR 265 Ca -0.02 -1.71 -0.08 0.00 -2.44 0.00 0.00 57.07 52.82 2bh3 s TYR 265 Cb -0.18 -1.75 0.06 0.00 0.35 0.00 0.00 41.96 40.44 2bh3 s TYR 265 CO -0.03 -0.78 0.48 1.63 -1.34 0.00 0.00 175.55 175.51 2bh3 n LYS 266 N 4.63 -3.56 0.00 4.97 4.76 -1.26 -1.08 118.16 126.62 2bh3 n LYS 266 Ca -0.16 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 2bh3 n LYS 266 Cb 0.47 -5.27 0.00 0.00 -1.84 0.00 0.00 35.03 28.38 2bh3 n LYS 266 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bh3 n GLY 267 N -1.20 2.65 3.87 0.72 0.00 -1.26 -4.99 105.19 104.98 2bh3 n GLY 267 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2bh3 n GLY 267 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bh3 s TYR 268 N -2.32 3.63 -0.13 1.61 1.51 -0.24 -4.38 117.35 117.02 2bh3 s TYR 268 Ca 0.00 0.70 -0.18 0.00 -1.01 0.00 0.00 57.07 56.58 2bh3 s TYR 268 Cb 0.00 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 2bh3 s TYR 268 CO 0.00 0.65 0.48 0.00 -1.11 0.00 0.00 175.55 175.57 2bh3 s ALA 269 N -1.17 3.48 0.43 3.71 0.00 -0.01 -1.10 121.76 127.10 2bh3 s ALA 269 Ca 0.24 -0.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.91 2bh3 s ALA 269 Cb -0.14 -2.67 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 2bh3 s ALA 269 CO 0.12 -0.05 0.75 0.20 0.00 0.00 0.00 175.76 176.78 2bh3 s GLY 270 N 0.69 1.70 -0.34 0.00 0.00 -0.54 -4.67 107.32 104.16 2bh3 s GLY 270 Ca 0.26 -0.41 0.06 0.00 0.00 0.00 0.00 44.72 44.63 2bh3 s GLY 270 CO 0.10 -0.24 0.58 -0.35 0.00 0.00 0.00 173.10 173.19 2bh3 s ASP 271 N -3.65 -1.32 0.03 1.64 2.15 -1.26 -3.97 116.67 110.29 2bh3 s ASP 271 Ca 0.48 -0.32 0.08 0.00 0.43 0.00 0.00 52.55 53.23 2bh3 s ASP 271 Cb -0.10 1.88 -0.03 0.00 -0.30 0.00 0.00 42.92 44.37 2bh3 s ASP 271 CO 0.38 -0.25 -0.25 -0.63 -0.17 0.00 0.00 175.17 174.25 2bh3 s ILE 272 N 2.36 1.98 -0.08 4.11 1.01 -0.85 -4.44 121.20 125.29 2bh3 s ILE 272 Ca 0.13 -1.27 0.03 0.00 0.00 0.00 0.00 60.65 59.54 2bh3 s ILE 272 Cb -0.08 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.70 2bh3 s ILE 272 CO -0.18 0.36 -0.19 -0.89 0.00 0.00 0.00 174.94 174.04 2bh3 s THR 273 N -0.76 1.68 -0.05 2.92 2.01 -1.11 -1.09 115.64 119.25 2bh3 s THR 273 Ca 0.10 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.33 2bh3 s THR 273 Cb -0.10 -1.48 0.01 0.00 0.01 0.00 0.00 72.50 70.95 2bh3 s THR 273 CO 0.01 0.48 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.18 2bh3 s ARG 274 N 0.46 1.33 -0.08 4.92 1.81 -0.51 -0.93 118.95 125.95 2bh3 s ARG 274 Ca -0.17 -0.35 0.01 0.00 -1.72 0.00 0.00 55.73 53.49 2bh3 s ARG 274 Cb -0.17 -1.16 -0.03 0.00 -0.45 0.00 0.00 34.95 33.14 2bh3 s ARG 274 CO 0.07 0.07 -0.08 0.99 -0.68 0.00 0.00 175.30 175.67 2bh3 s THR 275 N 0.46 3.62 0.15 0.02 2.01 -1.21 -0.77 115.64 119.92 2bh3 s THR 275 Ca -0.09 -0.50 -0.20 0.00 0.31 0.00 0.00 61.69 61.21 2bh3 s THR 275 Cb -0.13 -2.49 0.06 0.00 0.01 0.00 0.00 72.50 69.95 2bh3 s THR 275 CO 0.02 0.58 0.52 0.72 -0.69 0.00 0.00 174.62 175.77 2bh3 s PHE 276 N -0.59 -0.41 0.11 4.92 -0.71 -0.40 -4.97 117.98 115.92 2bh3 s PHE 276 Ca 0.09 0.16 -0.30 0.00 -1.04 0.00 0.00 56.93 55.83 2bh3 s PHE 276 Cb -0.12 0.44 -0.07 0.00 -1.21 0.00 0.00 43.02 42.07 2bh3 s PHE 276 CO 0.02 -0.79 1.23 -1.25 -1.34 0.00 0.00 175.22 173.08 2bh3 s PRO 277 N -3.77 4.43 0.37 1.99 0.04 -1.26 -0.27 135.00 136.54 2bh3 s PRO 277 Ca 0.02 1.85 0.12 0.00 0.04 0.00 0.00 61.00 63.03 2bh3 s PRO 277 Cb 0.00 -3.30 0.92 0.00 0.04 0.00 0.00 34.50 32.16 2bh3 s PRO 277 CO -0.13 -0.23 1.85 0.28 0.04 0.00 0.00 177.00 178.81 2bh3 h VAL 278 N 4.24 0.75 -0.46 -0.36 2.07 -1.59 -1.75 116.25 119.14 2bh3 h VAL 278 Ca -0.43 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2bh3 h VAL 278 Cb 1.21 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2bh3 h VAL 278 CO 0.80 0.11 0.00 -0.46 0.02 0.00 0.00 177.57 178.04 2bh3 n ASN 279 N -4.57 3.02 0.00 0.57 0.23 -1.26 -4.04 115.26 109.20 2bh3 n ASN 279 Ca 0.19 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.29 2bh3 n ASN 279 Cb 0.58 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 2bh3 n ASN 279 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bh3 n GLY 280 N 1.41 0.95 2.68 4.83 0.00 -0.66 -5.01 105.19 109.40 2bh3 n GLY 280 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 2bh3 n GLY 280 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bh3 s LYS 281 N -0.21 0.24 0.31 1.61 2.47 -1.26 -4.51 119.74 118.40 2bh3 s LYS 281 Ca 0.00 0.02 -0.29 0.00 -1.56 0.00 0.00 55.97 54.14 2bh3 s LYS 281 Cb 0.00 -1.35 -0.10 0.00 -1.46 0.00 0.00 37.83 34.91 2bh3 s LYS 281 CO 0.00 -0.50 1.42 -0.06 0.16 0.00 0.00 175.35 176.37 2bh3 s PHE 282 N 2.06 2.91 0.82 4.03 0.08 -1.26 -4.87 117.98 121.75 2bh3 s PHE 282 Ca 0.03 1.16 -0.12 0.00 0.12 0.00 0.00 56.93 58.12 2bh3 s PHE 282 Cb -0.14 -3.84 0.08 0.00 -0.57 0.00 0.00 43.02 38.55 2bh3 s PHE 282 CO -0.06 -2.57 1.16 0.95 -0.10 0.00 0.00 175.22 174.60 2bh3 s THR 283 N -0.62 2.17 0.12 0.64 -4.23 -1.26 -4.84 115.64 107.60 2bh3 s THR 283 Ca 0.55 0.05 -0.21 0.00 -1.18 0.00 0.00 61.69 60.90 2bh3 s THR 283 Cb -0.43 -3.00 -0.07 0.00 1.34 0.00 0.00 72.50 70.34 2bh3 s THR 283 CO 0.51 -0.07 1.71 -0.61 -0.54 0.00 0.00 174.62 175.62 2bh3 h GLN 284 N -1.10 -0.03 -0.92 3.99 4.15 -1.99 -0.06 115.11 119.15 2bh3 h GLN 284 Ca -0.47 0.00 0.01 0.00 0.77 0.00 0.00 58.65 58.96 2bh3 h GLN 284 Cb 1.32 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.97 2bh3 h GLN 284 CO 0.65 -0.02 0.60 0.00 -1.93 0.00 0.00 178.83 178.13 2bh3 h ALA 285 N 1.08 1.33 -0.06 3.38 0.00 -1.94 0.17 119.26 123.22 2bh3 h ALA 285 Ca 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2bh3 h ALA 285 Cb 0.12 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2bh3 h ALA 285 CO -0.14 0.61 -0.01 1.96 0.00 0.00 0.00 179.25 181.68 2bh3 h GLN 286 N 1.25 0.12 -0.92 0.00 4.20 -1.84 -3.00 115.11 114.92 2bh3 h GLN 286 Ca 0.34 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 59.11 2bh3 h GLN 286 Cb -0.13 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.56 2bh3 h GLN 286 CO -0.07 0.43 0.55 0.00 -0.67 0.00 0.00 178.83 179.07 2bh3 h ARG 287 N -0.21 0.86 -0.92 1.46 2.47 -0.67 0.80 114.38 118.17 2bh3 h ARG 287 Ca 0.02 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2bh3 h ARG 287 Cb 0.38 -0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 28.47 2bh3 h ARG 287 CO 0.01 0.57 0.54 0.93 0.56 0.00 0.00 179.97 182.57 2bh3 h GLU 288 N 0.88 1.26 0.19 0.04 5.08 -0.90 0.25 114.58 121.39 2bh3 h GLU 288 Ca 0.45 -0.12 -0.25 0.00 -1.00 0.00 0.00 59.36 58.44 2bh3 h GLU 288 Cb 0.45 -0.26 0.03 0.00 0.50 0.00 0.00 28.75 29.46 2bh3 h GLU 288 CO -0.26 0.89 -1.08 0.82 -1.00 0.00 0.00 179.01 178.38 2bh3 h ILE 289 N 1.28 1.42 -0.77 3.13 1.08 -1.35 -3.33 117.51 118.98 2bh3 h ILE 289 Ca 0.33 -2.60 0.07 0.00 -0.39 0.00 0.00 64.86 62.27 2bh3 h ILE 289 Cb -0.04 3.15 -0.06 0.00 -3.07 0.00 0.00 36.82 36.80 2bh3 h ILE 289 CO -0.06 0.75 0.44 0.22 -0.69 0.00 0.00 178.15 178.82 2bh3 h TYR 290 N -0.17 0.81 -0.29 1.37 3.20 -0.64 -2.57 116.97 118.68 2bh3 h TYR 290 Ca -0.19 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.67 2bh3 h TYR 290 Cb 1.85 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.85 2bh3 h TYR 290 CO 0.17 0.37 -0.00 -0.44 -1.64 0.00 0.00 178.16 176.62 2bh3 h ASP 291 N 0.79 0.41 -0.15 -2.11 3.32 -1.07 0.99 116.42 118.60 2bh3 h ASP 291 Ca 0.35 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 2bh3 h ASP 291 Cb 0.25 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2bh3 h ASP 291 CO -0.21 0.48 -0.01 0.40 -1.72 0.00 0.00 179.24 178.18 2bh3 h ILE 292 N 0.43 1.26 -0.76 0.35 2.04 -1.57 -0.61 117.51 118.65 2bh3 h ILE 292 Ca 0.09 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 2bh3 h ILE 292 Cb 0.29 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 2bh3 h ILE 292 CO 0.01 0.25 0.25 0.58 0.00 0.00 0.00 178.15 179.24 2bh3 h VAL 293 N -0.01 1.26 -0.38 1.67 2.07 -1.15 -1.68 116.25 118.04 2bh3 h VAL 293 Ca 0.04 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.57 2bh3 h VAL 293 Cb 0.39 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2bh3 h VAL 293 CO 0.01 0.36 -0.14 0.25 0.02 0.00 0.00 177.57 178.07 2bh3 h LEU 294 N 1.13 0.78 -0.99 2.57 5.85 -0.78 -1.72 115.31 122.15 2bh3 h LEU 294 Ca 0.25 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2bh3 h LEU 294 Cb 0.29 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 2bh3 h LEU 294 CO -0.01 0.99 0.49 -0.08 -0.34 0.00 0.00 178.44 179.49 2bh3 h GLU 295 N 0.57 1.20 -0.26 1.25 4.81 -1.02 0.20 114.58 121.33 2bh3 h GLU 295 Ca 0.09 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2bh3 h GLU 295 Cb 0.68 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2bh3 h GLU 295 CO 0.05 0.86 0.08 0.77 -0.73 0.00 0.00 179.01 180.04 2bh3 h SER 296 N 1.21 0.09 0.15 1.04 0.02 -1.10 0.09 113.55 115.06 2bh3 h SER 296 Ca 0.31 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 2bh3 h SER 296 Cb -0.00 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2bh3 h SER 296 CO -0.05 0.09 -0.07 0.25 -1.14 0.00 0.00 176.83 175.90 2bh3 h LEU 297 N 0.20 -0.17 -1.09 5.07 5.85 -1.03 -1.46 115.31 122.68 2bh3 h LEU 297 Ca 0.11 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.66 2bh3 h LEU 297 Cb 0.08 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 2bh3 h LEU 297 CO -0.12 0.10 0.62 -0.33 -0.34 0.00 0.00 178.44 178.37 2bh3 h GLU 298 N -0.44 1.21 -0.44 1.25 5.08 -0.89 0.96 114.58 121.30 2bh3 h GLU 298 Ca -0.02 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2bh3 h GLU 298 Cb 0.35 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2bh3 h GLU 298 CO 0.03 0.80 -0.11 1.15 -1.00 0.00 0.00 179.01 179.89 2bh3 h THR 299 N 1.25 1.27 -0.75 1.13 2.02 -0.96 -2.20 112.91 114.67 2bh3 h THR 299 Ca 0.35 -1.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 2bh3 h THR 299 Cb -0.11 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 2bh3 h THR 299 CO -0.08 0.42 0.28 0.28 0.37 0.00 0.00 175.52 176.79 2bh3 h SER 300 N 0.69 1.04 -0.34 4.18 0.02 -0.61 -0.96 113.55 117.58 2bh3 h SER 300 Ca 0.11 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 2bh3 h SER 300 Cb 0.65 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2bh3 h SER 300 CO 0.04 0.94 0.10 -0.07 -1.14 0.00 0.00 176.83 176.70 2bh3 h LEU 301 N 1.08 0.57 -0.43 5.07 3.38 -0.75 -0.21 115.31 124.02 2bh3 h LEU 301 Ca 0.25 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 2bh3 h LEU 301 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2bh3 h LEU 301 CO -0.02 0.57 -0.24 0.03 0.09 0.00 0.00 178.44 178.88 2bh3 h ARG 302 N 0.60 0.93 0.14 1.13 3.08 -1.04 -3.35 114.38 115.86 2bh3 h ARG 302 Ca 0.14 -0.42 -0.28 0.00 0.07 0.00 0.00 59.98 59.49 2bh3 h ARG 302 Cb 0.24 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.28 2bh3 h ARG 302 CO -0.00 1.08 -1.26 -0.07 -1.07 0.00 0.00 179.97 178.65 2bh3 h LEU 303 N 0.76 0.50 -9.47 3.04 3.38 -0.73 -3.46 115.31 109.33 2bh3 h LEU 303 Ca 0.09 -0.52 -0.53 0.00 0.09 0.00 0.00 57.88 57.01 2bh3 h LEU 303 Cb 0.82 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.43 2bh3 h LEU 303 CO 0.07 1.40 0.98 -0.31 0.09 0.00 0.00 178.44 180.67 2bh3 s TYR 304 N -2.69 2.51 0.05 1.13 2.02 -0.13 -4.94 117.35 115.31 2bh3 s TYR 304 Ca -0.05 0.37 -0.28 0.00 -0.37 0.00 0.00 57.07 56.74 2bh3 s TYR 304 Cb 0.07 -3.95 0.09 0.00 -0.40 0.00 0.00 41.96 37.77 2bh3 s TYR 304 CO 0.89 -3.77 1.06 -0.98 -1.57 0.00 0.00 175.55 171.18 2bh3 s ARG 305 N 2.45 0.84 0.30 -0.62 1.70 -1.26 -3.63 118.95 118.73 2bh3 s ARG 305 Ca 0.73 -0.44 -0.30 0.00 -0.47 0.00 0.00 55.73 55.26 2bh3 s ARG 305 Cb -0.40 0.30 -0.12 0.00 -0.57 0.00 0.00 34.95 34.16 2bh3 s ARG 305 CO 0.32 -0.38 1.44 -2.30 -1.08 0.00 0.00 175.30 173.29 2bh3 n PRO 306 N -0.41 2.32 0.00 3.89 -0.02 -1.26 -3.06 135.00 136.45 2bh3 n PRO 306 Ca -0.07 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2bh3 n PRO 306 Cb 0.61 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2bh3 n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bh3 n GLY 307 N 1.59 1.77 0.26 -1.23 0.00 -0.24 -4.96 105.19 102.37 2bh3 n GLY 307 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 2bh3 n GLY 307 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bh3 n THR 308 N -1.93 0.00 -4.05 2.61 5.66 -1.17 -4.78 114.28 110.61 2bh3 n THR 308 Ca 0.00 -0.12 -0.10 0.00 -3.05 0.00 0.00 64.05 60.78 2bh3 n THR 308 Cb 0.00 -1.05 -0.08 0.00 -1.55 0.00 0.00 70.33 67.65 2bh3 n THR 308 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2bh3 s SER 309 N -1.24 0.11 0.19 1.09 1.04 -1.26 -0.45 113.70 113.18 2bh3 s SER 309 Ca 0.04 -1.05 -0.11 0.00 0.48 0.00 0.00 55.95 55.31 2bh3 s SER 309 Cb -0.00 0.41 0.11 0.00 0.10 0.00 0.00 66.02 66.64 2bh3 s SER 309 CO 0.03 -0.87 1.80 0.40 0.98 0.00 0.00 173.24 175.57 2bh3 h ILE 310 N 2.60 1.21 -0.37 -1.02 2.04 -1.75 -2.12 117.51 118.10 2bh3 h ILE 310 Ca -0.33 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.04 2bh3 h ILE 310 Cb 1.23 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 2bh3 h ILE 310 CO 0.50 0.24 0.10 0.25 0.00 0.00 0.00 178.15 179.24 2bh3 h LEU 311 N 0.93 0.08 -0.48 1.44 5.85 -1.42 0.79 115.31 122.49 2bh3 h LEU 311 Ca 0.24 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 2bh3 h LEU 311 Cb 0.05 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2bh3 h LEU 311 CO -0.04 0.08 0.03 -0.08 -0.34 0.00 0.00 178.44 178.09 2bh3 h GLU 312 N 0.24 0.83 -0.41 1.25 4.81 -1.80 -1.90 114.58 117.59 2bh3 h GLU 312 Ca 0.17 -0.25 -0.15 0.00 -0.13 0.00 0.00 59.36 59.01 2bh3 h GLU 312 Cb 0.18 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2bh3 h GLU 312 CO -0.20 0.86 -0.33 0.28 -0.73 0.00 0.00 179.01 178.88 2bh3 h VAL 313 N 0.69 1.27 -0.98 0.32 2.07 -1.28 -2.86 116.25 115.48 2bh3 h VAL 313 Ca 0.14 -1.50 0.16 0.00 0.82 0.00 0.00 66.70 66.32 2bh3 h VAL 313 Cb 0.46 1.31 -0.09 0.00 -1.52 0.00 0.00 31.29 31.45 2bh3 h VAL 313 CO 0.02 0.51 0.61 0.74 0.02 0.00 0.00 177.57 179.47 2bh3 h THR 314 N 0.78 0.79 -0.98 2.57 2.02 -0.64 -1.64 112.91 115.80 2bh3 h THR 314 Ca 0.08 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 67.01 2bh3 h THR 314 Cb 0.92 -0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.19 2bh3 h THR 314 CO 0.09 0.15 0.64 1.23 0.37 0.00 0.00 175.52 178.00 2bh3 h GLY 315 N 0.81 1.43 1.14 2.16 0.00 -1.11 -0.16 103.07 107.35 2bh3 h GLY 315 Ca 0.53 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 2bh3 h GLY 315 CO -0.30 0.43 -0.18 0.83 0.00 0.00 0.00 176.54 177.31 2bh3 h GLU 316 N 1.25 0.99 -0.30 4.80 4.39 -1.31 -2.72 114.58 121.67 2bh3 h GLU 316 Ca 0.39 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2bh3 h GLU 316 Cb -0.01 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2bh3 h GLU 316 CO -0.12 1.08 0.15 0.28 -1.16 0.00 0.00 179.01 179.24 2bh3 h VAL 317 N 0.86 1.15 -0.85 3.13 2.07 -0.77 -1.61 116.25 120.23 2bh3 h VAL 317 Ca 0.12 -0.42 0.10 0.00 0.82 0.00 0.00 66.70 67.31 2bh3 h VAL 317 Cb 0.75 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 2bh3 h VAL 317 CO 0.06 0.15 0.50 0.58 0.02 0.00 0.00 177.57 178.88 2bh3 h VAL 318 N 0.36 0.92 0.03 2.57 2.07 -1.02 0.12 116.25 121.30 2bh3 h VAL 318 Ca 0.11 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 2bh3 h VAL 318 Cb 0.11 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 2bh3 h VAL 318 CO -0.01 0.15 -0.02 -0.09 0.02 0.00 0.00 177.57 177.62 2bh3 h ARG 319 N 0.83 -0.04 -0.73 1.57 2.43 -1.16 0.67 114.38 117.95 2bh3 h ARG 319 Ca 0.41 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.70 2bh3 h ARG 319 Cb 0.37 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.85 2bh3 h ARG 319 CO -0.25 0.19 0.34 0.82 -1.51 0.00 0.00 179.97 179.56 2bh3 h ILE 320 N -0.28 0.77 0.32 1.20 2.04 -0.79 -0.92 117.51 119.86 2bh3 h ILE 320 Ca -0.00 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2bh3 h ILE 320 Cb 0.26 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2bh3 h ILE 320 CO 0.01 0.10 -0.15 0.24 0.00 0.00 0.00 178.15 178.34 2bh3 h MET 321 N 0.54 -0.42 -0.75 2.37 2.86 -0.56 -1.76 114.93 117.21 2bh3 h MET 321 Ca 0.38 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 58.10 2bh3 h MET 321 Cb 0.48 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.18 2bh3 h MET 321 CO -0.32 -0.11 0.46 0.28 1.06 0.00 0.00 176.91 178.27 2bh3 h VAL 322 N -0.74 1.04 -0.26 -2.22 2.07 -0.77 -0.21 116.25 115.16 2bh3 h VAL 322 Ca -0.04 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2bh3 h VAL 322 Cb 0.50 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2bh3 h VAL 322 CO 0.07 0.16 0.14 0.28 0.02 0.00 0.00 177.57 178.23 2bh3 h SER 323 N 0.86 0.34 -0.65 0.57 0.02 -1.16 -1.26 113.55 112.27 2bh3 h SER 323 Ca 0.32 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2bh3 h SER 323 Cb 0.12 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2bh3 h SER 323 CO -0.15 0.35 0.29 1.23 -1.14 0.00 0.00 176.83 177.41 2bh3 h GLY 324 N 0.30 1.01 1.77 -3.77 0.00 -0.89 -2.01 103.07 99.48 2bh3 h GLY 324 Ca 0.09 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 2bh3 h GLY 324 CO -0.01 0.49 -0.40 1.41 0.00 0.00 0.00 176.54 178.02 2bh3 h LEU 325 N 0.90 0.27 -0.24 3.11 3.38 -0.90 -2.38 115.31 119.45 2bh3 h LEU 325 Ca 0.22 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2bh3 h LEU 325 Cb 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2bh3 h LEU 325 CO -0.02 0.65 -0.03 0.58 0.09 0.00 0.00 178.44 179.71 2bh3 h VAL 326 N 0.22 1.27 -0.40 1.22 2.07 -1.07 0.36 116.25 119.91 2bh3 h VAL 326 Ca 0.02 -0.98 0.07 0.00 0.82 0.00 0.00 66.70 66.63 2bh3 h VAL 326 Cb 0.81 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2bh3 h VAL 326 CO 0.06 0.31 0.28 0.11 0.02 0.00 0.00 177.57 178.35 2bh3 h LYS 327 N 0.19 0.24 -0.00 1.57 1.57 -1.08 -1.48 116.57 117.58 2bh3 h LYS 327 Ca 0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2bh3 h LYS 327 Cb 0.47 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2bh3 h LYS 327 CO 0.02 0.16 -0.23 1.28 -0.57 0.00 0.00 179.45 180.10 2bh3 n LEU 328 N -4.47 0.63 -0.15 2.94 4.77 -0.92 -4.94 117.00 114.87 2bh3 n LEU 328 Ca 0.05 -0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 55.97 2bh3 n LEU 328 Cb 0.30 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2bh3 n LEU 328 CO 0.35 0.13 -0.02 0.61 -1.33 0.00 0.00 177.39 177.12 2bh3 n GLY 329 N 1.36 0.55 0.11 -0.72 0.00 -0.56 -4.91 105.19 101.03 2bh3 n GLY 329 Ca 0.11 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 2bh3 n GLY 329 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bh3 h ILE 330 N 0.00 1.49 -3.49 -0.61 2.04 -1.18 -3.43 117.51 112.33 2bh3 h ILE 330 Ca -0.04 -3.02 -0.66 0.00 1.00 0.00 0.00 64.86 62.14 2bh3 h ILE 330 Cb 0.18 2.91 -0.17 0.00 -0.74 0.00 0.00 36.82 39.00 2bh3 h ILE 330 CO 0.06 0.88 -0.77 -0.76 0.00 0.00 0.00 178.15 177.56 2bh3 s LEU 331 N -7.20 2.82 -0.05 1.44 1.43 -0.84 -4.94 118.68 111.34 2bh3 s LEU 331 Ca -0.04 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 2bh3 s LEU 331 Cb 0.07 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.68 2bh3 s LEU 331 CO 0.88 0.16 -0.15 -0.54 0.23 0.00 0.00 176.35 176.93 2bh3 s LYS 332 N -2.35 1.72 0.00 1.70 1.02 -1.26 -4.19 119.74 116.38 2bh3 s LYS 332 Ca 0.20 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.65 2bh3 s LYS 332 Cb -0.10 -1.47 0.00 0.00 -0.52 0.00 0.00 37.83 35.74 2bh3 s LYS 332 CO 0.12 0.18 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 2bh3 n GLY 333 N 3.32 0.71 3.72 -3.33 0.00 -1.26 -5.01 105.19 103.35 2bh3 n GLY 333 Ca -0.19 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.33 2bh3 n GLY 333 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bh3 s ASP 334 N -4.00 7.43 0.17 1.61 2.15 -1.26 -4.97 116.67 117.80 2bh3 s ASP 334 Ca 0.00 1.73 -0.14 0.00 0.43 0.00 0.00 52.55 54.56 2bh3 s ASP 334 Cb 0.00 -2.58 0.11 0.00 -0.30 0.00 0.00 42.92 40.16 2bh3 s ASP 334 CO 0.00 -0.15 1.75 0.58 -0.17 0.00 0.00 175.17 177.18 2bh3 h VAL 335 N 4.38 0.87 -0.24 1.11 2.07 -1.96 -0.11 116.25 122.36 2bh3 h VAL 335 Ca -0.42 -0.11 -0.16 0.00 0.82 0.00 0.00 66.70 66.83 2bh3 h VAL 335 Cb 1.21 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2bh3 h VAL 335 CO 0.73 0.06 -0.49 0.44 0.02 0.00 0.00 177.57 178.33 2bh3 h ASP 336 N 0.32 0.72 -0.08 0.57 3.32 -1.99 -0.28 116.42 119.00 2bh3 h ASP 336 Ca 0.20 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2bh3 h ASP 336 Cb 0.19 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 2bh3 h ASP 336 CO -0.20 1.09 0.04 -0.33 -1.72 0.00 0.00 179.24 178.11 2bh3 h GLU 337 N 0.52 0.12 -0.99 3.56 5.08 -1.94 -1.65 114.58 119.29 2bh3 h GLU 337 Ca 0.02 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2bh3 h GLU 337 Cb 1.04 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.20 2bh3 h GLU 337 CO 0.10 0.22 0.64 -0.07 -1.00 0.00 0.00 179.01 178.90 2bh3 h LEU 338 N -0.01 1.02 -0.25 1.33 3.38 -0.83 0.37 115.31 120.32 2bh3 h LEU 338 Ca 0.03 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2bh3 h LEU 338 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2bh3 h LEU 338 CO -0.00 0.65 0.15 0.40 0.09 0.00 0.00 178.44 179.73 2bh3 h ILE 339 N 1.16 1.09 0.00 1.22 2.04 -1.00 0.11 117.51 122.13 2bh3 h ILE 339 Ca 0.42 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 66.02 2bh3 h ILE 339 Cb 0.16 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2bh3 h ILE 339 CO -0.17 0.09 -0.18 0.00 0.00 0.00 0.00 178.15 177.89 2bh3 h ALA 340 N 1.05 1.67 -0.14 1.87 0.00 -0.45 -0.94 119.26 122.31 2bh3 h ALA 340 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2bh3 h ALA 340 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2bh3 h ALA 340 CO -0.02 0.23 0.00 1.04 0.00 0.00 0.00 179.25 180.50 2bh3 n GLN 341 N -4.28 1.59 -3.92 0.00 6.02 0.04 -4.95 117.38 111.88 2bh3 n GLN 341 Ca -0.02 -0.89 -0.25 0.00 -0.01 0.00 0.00 57.00 55.83 2bh3 n GLN 341 Cb 0.25 -1.36 -0.01 0.00 1.02 0.00 0.00 30.24 30.13 2bh3 n GLN 341 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2bh3 n ASN 342 N 0.12 -0.67 0.07 1.08 3.02 -0.36 -4.85 115.26 113.67 2bh3 n ASN 342 Ca 0.15 -0.97 0.11 0.00 -0.03 0.00 0.00 54.58 53.84 2bh3 n ASN 342 Cb 0.27 -3.22 0.44 0.00 -0.61 0.00 0.00 39.78 36.66 2bh3 n ASN 342 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bh3 n ALA 343 N -4.39 1.87 0.48 5.41 0.00 -0.03 -2.18 120.51 121.68 2bh3 n ALA 343 Ca -0.29 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.28 2bh3 n ALA 343 Cb 0.67 -1.37 0.45 0.00 0.00 0.00 0.00 19.45 19.21 2bh3 n ALA 343 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2bh3 h HIS 344 N 0.00 0.00 -0.12 0.00 2.07 -1.89 -3.39 115.15 111.81 2bh3 h HIS 344 Ca 0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 2bh3 h HIS 344 Cb 0.41 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.38 2bh3 h HIS 344 CO 0.00 0.00 -0.21 0.00 -3.07 0.00 0.00 177.93 174.65 2bh3 h ARG 345 N 0.00 0.21 0.00 5.12 3.08 -1.62 -0.17 114.38 121.00 2bh3 h ARG 345 Ca 0.00 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2bh3 h ARG 345 Cb 0.56 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 2bh3 h ARG 345 CO 0.00 0.42 -0.01 -1.35 -1.07 0.00 0.00 179.97 177.96 2bh3 h PRO 346 N 0.20 0.00 0.00 0.04 0.11 -1.84 -3.26 132.00 127.25 2bh3 h PRO 346 Ca 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 2bh3 h PRO 346 Cb 0.49 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 2bh3 h PRO 346 CO 0.03 0.01 -1.52 1.19 -0.21 0.00 0.00 178.00 177.50 2bh3 n PHE 347 N -3.30 0.00 -3.51 0.65 3.72 -0.53 -4.85 117.46 109.64 2bh3 n PHE 347 Ca -0.03 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.08 2bh3 n PHE 347 Cb 0.10 -0.27 -0.14 0.00 -0.94 0.00 0.00 39.48 38.24 2bh3 n PHE 347 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 2bh3 s PHE 348 N -2.76 0.54 -0.17 1.38 5.36 -0.19 -0.27 117.98 121.86 2bh3 s PHE 348 Ca -0.04 -1.25 0.17 0.00 -0.96 0.00 0.00 56.93 54.85 2bh3 s PHE 348 Cb 0.07 -0.93 0.37 0.00 -0.34 0.00 0.00 43.02 42.19 2bh3 s PHE 348 CO 0.47 -0.83 1.25 0.00 -1.46 0.00 0.00 175.22 174.65 2bh3 n MET 349 N 4.67 2.07 -4.36 10.12 0.00 -1.24 -4.26 117.12 124.11 2bh3 n MET 349 Ca 0.03 -2.60 -0.20 0.00 0.00 0.00 0.00 57.70 54.93 2bh3 n MET 349 Cb 0.40 -1.60 -0.09 0.00 0.00 0.00 0.00 33.22 31.93 2bh3 n MET 349 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 2bh3 s HIS 350 N -2.69 1.64 0.51 3.17 -3.43 -1.26 -5.14 115.29 108.10 2bh3 s HIS 350 Ca 0.34 -1.31 -0.17 0.00 -0.80 0.00 0.00 55.06 53.12 2bh3 s HIS 350 Cb 0.28 -0.93 -0.08 0.00 -1.43 0.00 0.00 32.58 30.43 2bh3 s HIS 350 CO 0.06 -0.44 0.99 0.20 -2.00 0.00 0.00 174.74 173.55 2bh3 s GLY 351 N -3.40 2.11 0.39 -1.38 0.00 -1.26 -4.98 107.32 98.79 2bh3 s GLY 351 Ca 0.34 0.23 0.15 0.00 0.00 0.00 0.00 44.72 45.44 2bh3 s GLY 351 CO 0.17 0.51 1.83 -2.00 0.00 0.00 0.00 173.10 173.61 2bh3 h LEU 352 N 0.98 0.00 -7.33 0.66 5.85 -1.93 -3.46 115.31 110.07 2bh3 h LEU 352 Ca -0.47 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.12 2bh3 h LEU 352 Cb 1.19 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 41.98 2bh3 h LEU 352 CO 0.61 0.35 -0.26 -0.44 -0.34 0.00 0.00 178.44 178.36 2bh3 s SER 353 N -6.76 -0.41 0.12 1.25 0.01 -1.26 -0.13 113.70 106.52 2bh3 s SER 353 Ca -0.02 0.78 0.06 0.00 1.31 0.00 0.00 55.95 58.08 2bh3 s SER 353 Cb 0.14 0.79 -0.04 0.00 0.21 0.00 0.00 66.02 67.12 2bh3 s SER 353 CO 0.70 -0.14 -0.13 -1.38 0.41 0.00 0.00 173.24 172.71 2bh3 s HIS 354 N 0.22 1.36 0.60 2.43 -3.43 -1.26 -4.92 115.29 110.30 2bh3 s HIS 354 Ca -0.00 -0.58 -0.19 0.00 -0.80 0.00 0.00 55.06 53.48 2bh3 s HIS 354 Cb -0.03 -0.71 -0.03 0.00 -1.43 0.00 0.00 32.58 30.38 2bh3 s HIS 354 CO 0.00 0.13 1.23 0.91 -2.00 0.00 0.00 174.74 175.01 2bh3 n TRP 355 N 0.44 1.75 -4.47 0.38 5.03 -1.26 -1.12 117.44 118.19 2bh3 n TRP 355 Ca -0.15 0.43 -0.22 0.00 3.03 0.00 0.00 57.50 60.60 2bh3 n TRP 355 Cb 0.57 -2.26 -0.16 0.00 -1.03 0.00 0.00 31.31 28.44 2bh3 n TRP 355 CO 0.00 0.00 0.00 -1.17 -0.03 0.00 0.00 177.69 176.49 2bh3 s LEU 356 N -3.44 1.80 0.00 -0.99 2.96 -0.49 -0.68 118.68 117.84 2bh3 s LEU 356 Ca 0.78 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.47 2bh3 s LEU 356 Cb -0.40 -0.63 0.00 0.00 0.50 0.00 0.00 46.19 45.65 2bh3 s LEU 356 CO 0.45 0.08 0.00 0.61 -1.32 0.00 0.00 176.35 176.17 2bh3 n GLY 357 N 3.29 0.81 0.27 7.98 0.00 -1.26 -4.62 105.19 111.66 2bh3 n GLY 357 Ca -0.18 0.37 0.15 0.00 0.00 0.00 0.00 46.02 46.35 2bh3 n GLY 357 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bh3 h LEU 358 N 0.00 0.00 -8.90 0.99 3.38 -1.94 0.01 115.31 108.85 2bh3 h LEU 358 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 2bh3 h LEU 358 Cb 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.52 2bh3 h LEU 358 CO 0.00 0.09 -0.81 -1.81 0.09 0.00 0.00 178.44 176.00 2bh3 s ASP 359 N -5.92 3.77 0.14 -0.43 1.01 -1.26 -4.69 116.67 109.29 2bh3 s ASP 359 Ca -0.02 -0.36 -0.17 0.00 0.71 0.00 0.00 52.55 52.71 2bh3 s ASP 359 Cb 0.12 -0.65 -0.01 0.00 1.01 0.00 0.00 42.92 43.39 2bh3 s ASP 359 CO 0.56 0.29 1.79 1.62 0.21 0.00 0.00 175.17 179.64 2bh3 h VAL 360 N 4.15 1.10 -2.88 -1.27 3.04 -1.84 -3.02 116.25 115.54 2bh3 h VAL 360 Ca -0.47 -0.21 -0.72 0.00 -1.01 0.00 0.00 66.70 64.29 2bh3 h VAL 360 Cb 1.15 0.62 -0.20 0.00 -2.01 0.00 0.00 31.29 30.85 2bh3 h VAL 360 CO 0.48 0.10 0.51 -1.00 -1.01 0.00 0.00 177.57 176.65 2bh3 s HIS 361 N -6.09 3.25 0.62 3.17 3.76 -1.26 -4.31 115.29 114.43 2bh3 s HIS 361 Ca -0.13 -1.44 -0.11 0.00 -0.15 0.00 0.00 55.06 53.23 2bh3 s HIS 361 Cb 0.10 -4.12 -0.04 0.00 1.11 0.00 0.00 32.58 29.64 2bh3 s HIS 361 CO 0.72 -1.33 1.03 0.34 -0.85 0.00 0.00 174.74 174.65 2bh3 s ASP 362 N 3.24 6.19 0.95 1.40 2.15 0.14 -4.99 116.67 125.75 2bh3 s ASP 362 Ca 0.25 1.42 -0.12 0.00 0.43 0.00 0.00 52.55 54.53 2bh3 s ASP 362 Cb -0.10 -2.46 0.16 0.00 -0.30 0.00 0.00 42.92 40.22 2bh3 s ASP 362 CO -0.06 -0.90 1.09 0.68 -0.17 0.00 0.00 175.17 175.81 2bh3 s VAL 363 N -3.18 2.40 0.00 1.11 -7.23 -1.26 -4.61 120.40 107.62 2bh3 s VAL 363 Ca 0.55 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.85 2bh3 s VAL 363 Cb -0.11 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.27 2bh3 s VAL 363 CO 0.54 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.77 2bh3 n GLY 364 N -0.89 3.60 3.71 2.32 0.00 -1.26 -4.54 105.19 108.13 2bh3 n GLY 364 Ca 0.06 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 2bh3 n GLY 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bh3 s VAL 365 N -1.23 4.05 -0.13 1.61 1.01 -1.26 -4.94 120.40 119.51 2bh3 s VAL 365 Ca 0.00 1.46 0.16 0.00 0.00 0.00 0.00 61.98 63.60 2bh3 s VAL 365 Cb 0.00 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 2bh3 s VAL 365 CO 0.00 0.09 1.03 1.88 0.00 0.00 0.00 175.10 178.10 2bh3 h TYR 366 N 6.94 0.00 -0.29 5.22 0.05 -1.98 -3.47 116.97 123.44 2bh3 h TYR 366 Ca -0.40 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.41 2bh3 h TYR 366 Cb 1.20 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.93 2bh3 h TYR 366 CO 0.68 0.54 -0.09 0.41 -1.05 0.00 0.00 178.16 178.65 2bh3 n GLY 367 N 1.34 -2.28 3.68 3.88 0.00 -1.26 -1.33 105.19 109.21 2bh3 n GLY 367 Ca -0.06 -1.45 -0.46 0.00 0.00 0.00 0.00 46.02 44.06 2bh3 n GLY 367 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2bh3 n GLN 368 N -2.47 2.37 -2.19 1.61 7.27 -1.26 -1.61 117.38 121.10 2bh3 n GLN 368 Ca -0.01 0.86 -0.17 0.00 0.07 0.00 0.00 57.00 57.75 2bh3 n GLN 368 Cb 0.06 -2.70 -0.02 0.00 2.41 0.00 0.00 30.24 29.98 2bh3 n GLN 368 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2bh3 n ASP 369 N 5.17 -4.97 -3.36 1.69 8.00 -1.26 -1.98 116.55 119.83 2bh3 n ASP 369 Ca 0.19 0.16 -0.20 0.00 0.71 0.00 0.00 54.79 55.65 2bh3 n ASP 369 Cb 0.32 -4.24 0.08 0.00 -0.02 0.00 0.00 41.12 37.26 2bh3 n ASP 369 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bh3 n ARG 370 N -2.73 -7.05 -0.04 -1.24 1.74 -0.63 -4.24 116.66 102.46 2bh3 n ARG 370 Ca -0.20 0.79 0.12 0.00 -0.77 0.00 0.00 57.85 57.79 2bh3 n ARG 370 Cb 0.64 -5.68 0.42 0.00 -1.02 0.00 0.00 32.46 26.82 2bh3 n ARG 370 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2bh3 n SER 371 N -2.84 1.77 -4.74 0.55 3.41 -0.84 -1.44 113.62 109.49 2bh3 n SER 371 Ca -0.09 -1.64 -0.42 0.00 -0.26 0.00 0.00 58.87 56.46 2bh3 n SER 371 Cb 0.59 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 2bh3 n SER 371 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2bh3 s ARG 372 N -1.90 4.14 0.07 4.33 3.52 -0.44 -4.84 118.95 123.84 2bh3 s ARG 372 Ca 0.35 2.54 -0.31 0.00 -0.13 0.00 0.00 55.73 58.18 2bh3 s ARG 372 Cb 0.20 -3.05 -0.08 0.00 -1.56 0.00 0.00 34.95 30.46 2bh3 s ARG 372 CO 0.30 -0.62 1.60 0.42 -0.81 0.00 0.00 175.30 176.19 2bh3 s ILE 373 N 0.22 3.11 0.28 4.11 -1.09 -1.26 -4.43 121.20 122.13 2bh3 s ILE 373 Ca 0.65 0.59 -0.29 0.00 -2.23 0.00 0.00 60.65 59.36 2bh3 s ILE 373 Cb -0.47 -3.38 -0.09 0.00 -1.58 0.00 0.00 42.46 36.94 2bh3 s ILE 373 CO 0.44 0.00 1.04 -0.76 -1.23 0.00 0.00 174.94 174.44 2bh3 s LEU 374 N 2.41 4.55 0.16 2.97 1.43 0.41 -4.87 118.68 125.73 2bh3 s LEU 374 Ca 0.72 2.14 0.05 0.00 -1.03 0.00 0.00 54.13 56.01 2bh3 s LEU 374 Cb -0.39 -3.67 -0.04 0.00 0.03 0.00 0.00 46.19 42.12 2bh3 s LEU 374 CO 0.31 -0.07 -0.11 -1.61 0.23 0.00 0.00 176.35 175.10 2bh3 s GLU 375 N -1.46 1.11 0.34 1.70 2.02 -1.26 -1.08 118.70 120.08 2bh3 s GLU 375 Ca 0.44 -1.47 -0.28 0.00 0.02 0.00 0.00 54.97 53.68 2bh3 s GLU 375 Cb -0.29 -0.73 -0.12 0.00 0.10 0.00 0.00 34.13 33.09 2bh3 s GLU 375 CO 0.37 0.10 1.38 -2.30 0.02 0.00 0.00 175.26 174.83 2bh3 n PRO 376 N -0.19 2.34 0.00 0.39 -0.02 -1.26 -2.81 135.00 133.45 2bh3 n PRO 376 Ca -0.10 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2bh3 n PRO 376 Cb 0.60 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2bh3 n PRO 376 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bh3 n GLY 377 N 0.83 1.46 3.75 -1.23 0.00 -0.18 -4.91 105.19 104.92 2bh3 n GLY 377 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2bh3 n GLY 377 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bh3 s MET 378 N -0.98 4.56 -0.06 1.61 -1.94 -1.12 -0.99 119.30 120.38 2bh3 s MET 378 Ca 0.00 1.86 0.05 0.00 -1.71 0.00 0.00 55.69 55.89 2bh3 s MET 378 Cb 0.00 -3.20 -0.01 0.00 2.01 0.00 0.00 34.83 33.63 2bh3 s MET 378 CO 0.00 0.07 -0.23 0.08 -0.01 0.00 0.00 175.02 174.93 2bh3 s VAL 379 N -0.74 1.91 0.18 -6.03 1.01 -1.26 -0.42 120.40 115.04 2bh3 s VAL 379 Ca 0.48 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 2bh3 s VAL 379 Cb -0.33 -1.62 0.04 0.00 0.00 0.00 0.00 36.38 34.47 2bh3 s VAL 379 CO 0.40 0.53 0.53 -1.48 0.00 0.00 0.00 175.10 175.09 2bh3 s LEU 380 N -0.02 -0.03 0.34 3.92 2.34 -0.24 -1.39 118.68 123.61 2bh3 s LEU 380 Ca -0.07 -0.37 0.01 0.00 0.06 0.00 0.00 54.13 53.77 2bh3 s LEU 380 Cb -0.14 2.23 -0.03 0.00 -0.56 0.00 0.00 46.19 47.68 2bh3 s LEU 380 CO 0.04 -1.02 0.52 0.42 -1.06 0.00 0.00 176.35 175.25 2bh3 s THR 381 N -3.84 5.06 -0.22 5.48 -4.23 -0.27 -0.45 115.64 117.17 2bh3 s THR 381 Ca 0.07 -0.55 -0.03 0.00 -1.18 0.00 0.00 61.69 60.00 2bh3 s THR 381 Cb -0.01 -3.84 0.07 0.00 1.34 0.00 0.00 72.50 70.06 2bh3 s THR 381 CO -0.06 -0.51 0.06 -0.69 -0.54 0.00 0.00 174.62 172.88 2bh3 s VAL 382 N -2.27 0.50 -0.40 2.29 1.01 -0.11 -4.02 120.40 117.40 2bh3 s VAL 382 Ca 0.39 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.76 2bh3 s VAL 382 Cb -0.09 -1.11 0.26 0.00 0.00 0.00 0.00 36.38 35.44 2bh3 s VAL 382 CO 0.35 -0.33 0.60 -1.84 0.00 0.00 0.00 175.10 173.87 2bh3 n GLU 383 N 5.04 0.76 -1.58 2.72 0.28 0.81 -1.79 120.64 126.88 2bh3 n GLU 383 Ca -0.07 -3.06 -0.34 0.00 -0.16 0.00 0.00 57.16 53.52 2bh3 n GLU 383 Cb 0.46 -1.30 0.07 0.00 1.43 0.00 0.00 31.44 32.10 2bh3 n GLU 383 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2bh3 s PRO 384 N -1.12 2.42 0.09 3.44 0.04 -1.24 -4.72 135.00 133.90 2bh3 s PRO 384 Ca 0.35 1.63 -0.22 0.00 0.04 0.00 0.00 61.00 62.80 2bh3 s PRO 384 Cb 0.20 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.92 2bh3 s PRO 384 CO -0.12 -1.59 0.53 0.20 0.04 0.00 0.00 177.00 176.06 2bh3 s GLY 385 N -2.20 -0.46 -0.05 0.56 0.00 -1.26 -2.63 107.32 101.27 2bh3 s GLY 385 Ca 0.72 0.49 0.02 0.00 0.00 0.00 0.00 44.72 45.94 2bh3 s GLY 385 CO 0.43 0.18 -0.08 1.08 0.00 0.00 0.00 173.10 174.72 2bh3 s LEU 386 N -2.30 1.49 -0.25 0.66 1.43 -0.04 -4.48 118.68 115.19 2bh3 s LEU 386 Ca -0.02 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2bh3 s LEU 386 Cb -0.00 -0.60 0.07 0.00 0.03 0.00 0.00 46.19 45.69 2bh3 s LEU 386 CO -0.06 -0.01 0.04 -0.31 0.23 0.00 0.00 176.35 176.23 2bh3 s TYR 387 N 0.75 1.68 -0.37 0.29 1.51 0.63 -1.24 117.35 120.59 2bh3 s TYR 387 Ca -0.12 -1.44 -0.13 0.00 -1.01 0.00 0.00 57.07 54.36 2bh3 s TYR 387 Cb -0.15 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 2bh3 s TYR 387 CO 0.02 -0.75 0.26 0.42 -1.11 0.00 0.00 175.55 174.38 2bh3 s ILE 388 N 1.63 5.19 0.52 2.71 -1.09 0.74 -4.34 121.20 126.56 2bh3 s ILE 388 Ca 0.02 -0.45 -0.23 0.00 -2.23 0.00 0.00 60.65 57.76 2bh3 s ILE 388 Cb -0.18 -3.77 -0.06 0.00 -1.58 0.00 0.00 42.46 36.87 2bh3 s ILE 388 CO -0.14 -0.14 1.34 0.00 -1.23 0.00 0.00 174.94 174.77 2bh3 n ALA 389 N 5.11 1.55 -0.32 9.38 0.00 -1.26 -0.06 120.51 134.91 2bh3 n ALA 389 Ca -0.12 0.16 0.33 0.00 0.00 0.00 0.00 53.44 53.81 2bh3 n ALA 389 Cb 0.48 -2.34 0.71 0.00 0.00 0.00 0.00 19.45 18.30 2bh3 n ALA 389 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bh3 h PRO 390 N 1.62 0.07 -0.42 0.00 0.11 -1.91 -1.21 132.00 130.26 2bh3 h PRO 390 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2bh3 h PRO 390 Cb 1.30 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2bh3 h PRO 390 CO 0.58 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 2bh3 n ASP 391 N -4.27 3.29 -4.77 -2.05 5.75 -1.26 -4.64 116.55 108.59 2bh3 n ASP 391 Ca 0.25 -2.12 -0.40 0.00 -0.01 0.00 0.00 54.79 52.50 2bh3 n ASP 391 Cb 1.17 -0.32 0.01 0.00 -1.03 0.00 0.00 41.12 40.94 2bh3 n ASP 391 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bh3 s ALA 392 N -1.23 3.44 -1.30 2.12 0.00 -0.46 -4.89 121.76 119.44 2bh3 s ALA 392 Ca 0.31 1.52 -0.16 0.00 0.00 0.00 0.00 51.96 53.63 2bh3 s ALA 392 Cb 0.17 -3.60 0.10 0.00 0.00 0.00 0.00 23.12 19.79 2bh3 s ALA 392 CO 0.18 -1.11 1.73 0.39 0.00 0.00 0.00 175.76 176.96 2bh3 n GLU 393 N 0.20 3.22 -4.09 0.00 1.02 -1.26 -4.88 120.64 114.86 2bh3 n GLU 393 Ca 0.03 -3.35 -0.10 0.00 -0.02 0.00 0.00 57.16 53.71 2bh3 n GLU 393 Cb 0.40 -3.33 -0.08 0.00 -0.02 0.00 0.00 31.44 28.41 2bh3 n GLU 393 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2bh3 s VAL 394 N 3.23 0.04 0.25 2.62 -7.23 -1.26 -5.05 120.40 113.00 2bh3 s VAL 394 Ca 0.50 -1.70 -0.29 0.00 -1.81 0.00 0.00 61.98 58.67 2bh3 s VAL 394 Cb 0.04 -2.17 -0.15 0.00 0.56 0.00 0.00 36.38 34.66 2bh3 s VAL 394 CO 0.04 -0.18 1.02 -2.65 -0.31 0.00 0.00 175.10 173.02 2bh3 n PRO 395 N -0.24 1.24 -0.31 4.82 -0.02 -1.26 -4.82 135.00 134.41 2bh3 n PRO 395 Ca -0.03 0.44 0.15 0.00 -2.02 0.00 0.00 63.50 62.04 2bh3 n PRO 395 Cb 0.64 -1.82 0.39 0.00 -0.02 0.00 0.00 33.50 32.69 2bh3 n PRO 395 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2bh3 h GLU 396 N 2.31 0.62 0.00 -0.52 4.22 -1.99 -2.45 114.58 116.78 2bh3 h GLU 396 Ca -0.40 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.00 2bh3 h GLU 396 Cb 1.35 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 2bh3 h GLU 396 CO 0.63 0.41 -0.02 -0.56 -2.18 0.00 0.00 179.01 177.29 2bh3 h GLN 397 N 0.64 0.00 0.00 1.92 -0.00 -2.01 -2.52 115.11 113.14 2bh3 h GLN 397 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.17 2bh3 h GLN 397 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.44 2bh3 h GLN 397 CO -0.28 0.02 -0.81 0.66 -0.00 0.00 0.00 178.83 178.42 2bh3 n TYR 398 N -3.18 0.17 -2.08 0.06 4.01 -0.92 -4.84 117.16 110.39 2bh3 n TYR 398 Ca -0.01 0.05 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 2bh3 n TYR 398 Cb 0.20 -0.34 -0.03 0.00 -0.31 0.00 0.00 39.34 38.87 2bh3 n TYR 398 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2bh3 s ARG 399 N -3.10 4.29 -0.03 -0.72 0.52 -0.95 -2.88 118.95 116.08 2bh3 s ARG 399 Ca 0.07 2.21 0.00 0.00 -0.52 0.00 0.00 55.73 57.48 2bh3 s ARG 399 Cb 0.15 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.45 2bh3 s ARG 399 CO 0.77 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 176.06 2bh3 n GLY 400 N 3.02 0.43 3.62 -3.53 0.00 0.91 -4.80 105.19 104.84 2bh3 n GLY 400 Ca 0.10 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 2bh3 n GLY 400 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bh3 s ILE 401 N -2.01 5.19 -0.17 -0.61 1.01 -1.09 -3.57 121.20 119.95 2bh3 s ILE 401 Ca 0.00 0.58 0.01 0.00 0.00 0.00 0.00 60.65 61.25 2bh3 s ILE 401 Cb 0.00 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.79 2bh3 s ILE 401 CO 0.00 0.19 -0.20 -0.83 0.00 0.00 0.00 174.94 174.09 2bh3 s GLY 402 N 1.48 1.38 -0.06 6.18 0.00 -1.26 -0.18 107.32 114.85 2bh3 s GLY 402 Ca 0.15 -1.18 0.01 0.00 0.00 0.00 0.00 44.72 43.71 2bh3 s GLY 402 CO 0.09 0.20 -0.08 -0.42 0.00 0.00 0.00 173.10 172.90 2bh3 s ILE 403 N 1.16 0.82 -0.01 0.90 1.01 -0.37 -4.70 121.20 120.01 2bh3 s ILE 403 Ca 0.02 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.41 2bh3 s ILE 403 Cb -0.14 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.53 2bh3 s ILE 403 CO -0.10 0.30 -0.02 -0.60 0.00 0.00 0.00 174.94 174.51 2bh3 s ARG 404 N 0.98 0.28 -0.11 2.79 3.52 -1.26 -0.87 118.95 124.29 2bh3 s ARG 404 Ca -0.09 -0.06 0.01 0.00 -0.13 0.00 0.00 55.73 55.46 2bh3 s ARG 404 Cb -0.15 -0.33 0.02 0.00 -1.56 0.00 0.00 34.95 32.94 2bh3 s ARG 404 CO 0.00 0.01 -0.11 0.42 -0.81 0.00 0.00 175.30 174.81 2bh3 s ILE 405 N 0.27 1.22 -0.05 4.11 1.01 -1.08 -3.33 121.20 123.35 2bh3 s ILE 405 Ca -0.02 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.18 2bh3 s ILE 405 Cb -0.05 -1.17 0.02 0.00 0.01 0.00 0.00 42.46 41.27 2bh3 s ILE 405 CO -0.01 0.39 -0.05 -0.70 0.00 0.00 0.00 174.94 174.58 2bh3 s GLU 406 N 1.31 0.92 0.28 2.79 2.12 -0.11 -3.72 118.70 122.30 2bh3 s GLU 406 Ca -0.01 -0.11 0.11 0.00 0.36 0.00 0.00 54.97 55.31 2bh3 s GLU 406 Cb -0.14 -0.96 -0.05 0.00 0.26 0.00 0.00 34.13 33.25 2bh3 s GLU 406 CO -0.05 -0.11 -0.12 -0.51 -0.54 0.00 0.00 175.26 173.93 2bh3 s ASP 407 N 1.09 3.95 -0.12 -1.70 1.01 -0.74 -2.75 116.67 117.41 2bh3 s ASP 407 Ca -0.08 -0.90 -0.01 0.00 0.71 0.00 0.00 52.55 52.27 2bh3 s ASP 407 Cb -0.14 -0.50 -0.02 0.00 1.01 0.00 0.00 42.92 43.27 2bh3 s ASP 407 CO -0.01 0.01 -0.09 -1.81 0.21 0.00 0.00 175.17 173.48 2bh3 s ASP 408 N -3.58 4.35 0.11 0.27 1.01 -1.26 -0.94 116.67 116.64 2bh3 s ASP 408 Ca 0.31 -0.20 0.04 0.00 0.71 0.00 0.00 52.55 53.41 2bh3 s ASP 408 Cb -0.05 -1.50 -0.04 0.00 1.01 0.00 0.00 42.92 42.34 2bh3 s ASP 408 CO 0.17 0.22 -0.11 0.27 0.21 0.00 0.00 175.17 175.93 2bh3 s ILE 409 N 0.03 1.05 -0.09 0.77 -4.36 0.40 -0.21 121.20 118.79 2bh3 s ILE 409 Ca -0.02 -1.74 0.03 0.00 -0.26 0.00 0.00 60.65 58.66 2bh3 s ILE 409 Cb -0.14 -1.49 -0.01 0.00 1.25 0.00 0.00 42.46 42.07 2bh3 s ILE 409 CO 0.04 -0.58 -0.20 0.54 0.24 0.00 0.00 174.94 174.98 2bh3 s VAL 410 N -2.58 2.45 0.09 8.37 0.11 -0.39 -1.07 120.40 127.38 2bh3 s VAL 410 Ca 0.08 -0.90 -0.31 0.00 -2.93 0.00 0.00 61.98 57.92 2bh3 s VAL 410 Cb -0.02 -1.96 -0.07 0.00 -1.53 0.00 0.00 36.38 32.80 2bh3 s VAL 410 CO 0.01 0.56 1.31 -0.63 -3.33 0.00 0.00 175.10 173.01 2bh3 s ILE 411 N 0.06 3.61 0.47 7.04 -1.09 0.44 -0.53 121.20 131.18 2bh3 s ILE 411 Ca -0.08 1.16 0.04 0.00 -2.23 0.00 0.00 60.65 59.53 2bh3 s ILE 411 Cb -0.15 -3.74 0.04 0.00 -1.58 0.00 0.00 42.46 37.03 2bh3 s ILE 411 CO 0.05 0.09 0.32 0.35 -1.23 0.00 0.00 174.94 174.52 2bh3 n THR 412 N 3.93 0.00 -0.11 2.92 -2.24 -0.28 -1.01 114.28 117.50 2bh3 n THR 412 Ca 0.10 -1.89 0.01 0.00 -2.27 0.00 0.00 64.05 60.00 2bh3 n THR 412 Cb 0.44 -0.04 0.29 0.00 -2.10 0.00 0.00 70.33 68.92 2bh3 n THR 412 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2bh3 h GLU 413 N 0.00 0.76 0.00 -0.78 4.39 -1.97 -3.27 114.58 113.72 2bh3 h GLU 413 Ca -0.31 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.31 2bh3 h GLU 413 Cb 1.09 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2bh3 h GLU 413 CO 0.48 0.57 -0.66 0.25 -1.16 0.00 0.00 179.01 178.50 2bh3 n THR 414 N -4.39 0.00 0.00 1.13 -2.24 -1.26 -4.73 114.28 102.79 2bh3 n THR 414 Ca 0.05 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2bh3 n THR 414 Cb 0.11 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 2bh3 n THR 414 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bh3 n GLY 415 N 1.38 -0.03 3.22 3.38 0.00 -1.23 -4.82 105.19 107.09 2bh3 n GLY 415 Ca 0.01 0.55 -0.11 0.00 0.00 0.00 0.00 46.02 46.47 2bh3 n GLY 415 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bh3 s ASN 416 N 2.00 -0.03 -0.17 1.61 2.20 -1.24 -1.12 114.94 118.20 2bh3 s ASN 416 Ca 0.00 -0.33 -0.05 0.00 -0.94 0.00 0.00 52.86 51.54 2bh3 s ASN 416 Cb 0.00 0.33 -0.03 0.00 -2.00 0.00 0.00 41.25 39.55 2bh3 s ASN 416 CO 0.00 -0.62 -0.01 -0.70 -2.94 0.00 0.00 177.10 172.83 2bh3 s GLU 417 N -2.79 3.73 -0.29 3.55 2.12 0.30 -4.85 118.70 120.46 2bh3 s GLU 417 Ca -0.03 -0.48 -0.24 0.00 0.36 0.00 0.00 54.97 54.57 2bh3 s GLU 417 Cb -0.00 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.40 2bh3 s GLU 417 CO -0.05 0.22 0.83 1.21 -0.54 0.00 0.00 175.26 176.94 2bh3 s ASN 418 N 0.44 6.74 0.02 -1.70 3.84 -1.26 -1.26 114.94 121.74 2bh3 s ASN 418 Ca -0.02 0.80 0.27 0.00 0.21 0.00 0.00 52.86 54.12 2bh3 s ASN 418 Cb -0.14 -2.43 0.90 0.00 -0.55 0.00 0.00 41.25 39.03 2bh3 s ASN 418 CO 0.02 -0.62 1.70 0.18 -2.79 0.00 0.00 177.10 175.59 2bh3 n LEU 419 N 6.24 0.26 -0.18 3.21 4.77 0.70 -4.31 117.00 127.69 2bh3 n LEU 419 Ca 0.05 0.30 0.04 0.00 -0.03 0.00 0.00 56.01 56.37 2bh3 n LEU 419 Cb 0.48 -0.38 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 2bh3 n LEU 419 CO 0.51 0.04 0.41 0.35 -1.33 0.00 0.00 177.39 177.36 2bh3 n THR 420 N -1.56 0.86 1.43 -5.08 -2.24 -1.25 -3.98 114.28 102.46 2bh3 n THR 420 Ca 0.06 -1.00 0.14 0.00 -2.27 0.00 0.00 64.05 60.98 2bh3 n THR 420 Cb 0.35 0.31 0.73 0.00 -2.10 0.00 0.00 70.33 69.62 2bh3 n THR 420 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bh3 n ALA 421 N -0.61 2.42 0.75 6.98 0.00 -1.26 -3.19 120.51 125.60 2bh3 n ALA 421 Ca 0.06 -0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.45 2bh3 n ALA 421 Cb 0.57 -1.45 0.45 0.00 0.00 0.00 0.00 19.45 19.02 2bh3 n ALA 421 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bh3 n SER 422 N -1.21 0.00 -4.70 0.00 3.41 -1.26 -4.52 113.62 105.34 2bh3 n SER 422 Ca 0.15 0.44 -0.35 0.00 -0.26 0.00 0.00 58.87 58.85 2bh3 n SER 422 Cb 0.19 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 63.57 2bh3 n SER 422 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bh3 s VAL 423 N -2.95 4.94 0.59 -3.33 0.11 -1.19 -4.92 120.40 113.64 2bh3 s VAL 423 Ca 0.11 0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 58.99 2bh3 s VAL 423 Cb 0.14 -3.19 -0.04 0.00 -1.53 0.00 0.00 36.38 31.76 2bh3 s VAL 423 CO 0.37 0.51 1.18 0.68 -3.33 0.00 0.00 175.10 174.51 2bh3 s VAL 424 N -0.10 2.81 0.00 2.04 -7.23 -1.26 -4.97 120.40 111.68 2bh3 s VAL 424 Ca 0.08 0.49 0.00 0.00 -1.81 0.00 0.00 61.98 60.74 2bh3 s VAL 424 Cb -0.12 -3.17 0.00 0.00 0.56 0.00 0.00 36.38 33.65 2bh3 s VAL 424 CO 0.01 -0.12 0.00 2.29 -0.31 0.00 0.00 175.10 176.97 2bh3 n LYS 425 N -1.61 4.43 -2.15 4.82 2.85 -1.26 -4.87 118.16 120.37 2bh3 n LYS 425 Ca 0.13 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.97 2bh3 n LYS 425 Cb 0.50 -0.48 -0.03 0.00 -0.65 0.00 0.00 35.03 34.37 2bh3 n LYS 425 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2bh3 s LYS 426 N -0.25 4.34 0.28 -1.58 1.02 -1.26 -4.89 119.74 117.39 2bh3 s LYS 426 Ca 0.00 2.13 -0.04 0.00 0.02 0.00 0.00 55.97 58.08 2bh3 s LYS 426 Cb 0.00 -3.18 0.36 0.00 -0.52 0.00 0.00 37.83 34.48 2bh3 s LYS 426 CO 0.00 -0.35 1.95 -1.00 -0.92 0.00 0.00 175.35 175.03 2bh3 h PRO 427 N 5.69 1.20 -0.05 -1.68 0.13 -1.99 -0.82 132.00 134.49 2bh3 h PRO 427 Ca -0.44 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 2bh3 h PRO 427 Cb 1.21 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 2bh3 h PRO 427 CO 0.80 0.80 -0.24 1.05 -0.23 0.00 0.00 178.00 180.18 2bh3 h GLU 428 N 1.24 0.08 0.10 0.86 9.09 -1.99 -0.28 114.58 123.68 2bh3 h GLU 428 Ca 0.33 -0.02 -0.29 0.00 0.05 0.00 0.00 59.36 59.43 2bh3 h GLU 428 Cb -0.14 -0.01 0.02 0.00 -1.65 0.00 0.00 28.75 26.97 2bh3 h GLU 428 CO -0.07 0.32 -1.20 0.93 0.05 0.00 0.00 179.01 179.04 2bh3 h GLU 429 N 0.08 0.60 -0.15 1.06 5.08 -1.62 -1.81 114.58 117.81 2bh3 h GLU 429 Ca 0.01 -0.77 0.04 0.00 -1.00 0.00 0.00 59.36 57.64 2bh3 h GLU 429 Cb 0.47 0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 2bh3 h GLU 429 CO 0.03 1.34 -0.11 0.82 -1.00 0.00 0.00 179.01 180.10 2bh3 h ILE 430 N 0.28 0.68 -0.77 3.13 2.04 -0.93 -1.22 117.51 120.71 2bh3 h ILE 430 Ca -0.17 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 2bh3 h ILE 430 Cb 1.87 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.59 2bh3 h ILE 430 CO 0.23 0.00 0.33 -0.33 0.00 0.00 0.00 178.15 178.37 2bh3 h GLU 431 N -0.12 1.12 -0.50 2.37 5.08 -1.05 -1.64 114.58 119.84 2bh3 h GLU 431 Ca 0.09 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2bh3 h GLU 431 Cb 0.25 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2bh3 h GLU 431 CO -0.22 0.89 -0.09 0.00 -1.00 0.00 0.00 179.01 178.59 2bh3 h ALA 432 N 1.25 0.69 -0.51 3.43 0.00 -1.18 -1.16 119.26 121.78 2bh3 h ALA 432 Ca 0.26 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2bh3 h ALA 432 Cb 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2bh3 h ALA 432 CO -0.03 0.58 0.31 1.25 0.00 0.00 0.00 179.25 181.36 2bh3 h LEU 433 N 0.81 0.50 -0.22 0.00 5.85 -0.90 -0.91 115.31 120.44 2bh3 h LEU 433 Ca 0.13 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.64 2bh3 h LEU 433 Cb 0.64 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.57 2bh3 h LEU 433 CO 0.04 0.36 -0.76 0.24 -0.34 0.00 0.00 178.44 177.98 2bh3 h MET 434 N 0.62 0.72 -0.36 1.25 2.86 -1.21 -2.18 114.93 116.62 2bh3 h MET 434 Ca 0.20 -0.58 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2bh3 h MET 434 Cb 0.00 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2bh3 h MET 434 CO -0.08 1.19 0.23 0.28 1.06 0.00 0.00 176.91 179.59 2bh3 h VAL 435 N 0.49 1.11 -0.54 -2.22 2.07 -1.13 -1.68 116.25 114.35 2bh3 h VAL 435 Ca -0.05 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2bh3 h VAL 435 Cb 1.38 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 2bh3 h VAL 435 CO 0.15 0.11 0.22 0.00 0.02 0.00 0.00 177.57 178.06 2bh3 h ALA 436 N 1.11 1.37 -0.09 1.67 0.00 -1.11 -2.48 119.26 119.73 2bh3 h ALA 436 Ca 0.13 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2bh3 h ALA 436 Cb -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2bh3 h ALA 436 CO -0.03 0.48 -0.63 0.00 0.00 0.00 0.00 179.25 179.07 2bh3 h ALA 437 N 1.47 0.76 0.00 0.00 0.00 -1.20 -3.05 119.26 117.23 2bh3 h ALA 437 Ca 0.18 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2bh3 h ALA 437 Cb 0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2bh3 h ALA 437 CO -0.02 0.73 -0.06 0.00 0.00 0.00 0.00 179.25 179.91 2bh3 h ARG 438 N 0.25 0.00 0.03 0.00 3.08 -0.88 -3.21 114.38 113.66 2bh3 h ARG 438 Ca -0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2bh3 h ARG 438 Cb 1.16 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.21 2bh3 h ARG 438 CO 0.10 0.06 -0.24 0.87 -1.07 0.00 0.00 179.97 179.69 2bh3 h LYS 439 N 0.00 0.10 0.00 0.04 1.57 -1.41 -3.51 116.57 113.35 2bh3 h LYS 439 Ca -0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2bh3 h LYS 439 Cb 0.75 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2bh3 h LYS 439 CO 0.01 1.03 0.00 1.04 -0.57 0.00 0.00 179.45 180.96