#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3e s ARG 2 N 0.00 3.25 -0.14 2.12 0.52 -1.26 0.73 118.95 124.17 3g3e s ARG 2 Ca 0.00 -0.78 -0.01 0.00 -0.52 0.00 0.00 55.73 54.42 3g3e s ARG 2 Cb 0.00 -3.62 -0.02 0.00 0.52 0.00 0.00 34.95 31.83 3g3e s ARG 2 CO 0.00 -0.47 -0.11 0.08 0.02 0.00 0.00 175.30 174.81 3g3e s VAL 3 N 1.61 3.19 -0.25 3.52 1.01 0.32 -0.40 120.40 129.40 3g3e s VAL 3 Ca 0.04 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 3g3e s VAL 3 Cb -0.17 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.87 3g3e s VAL 3 CO 0.07 0.51 -0.04 -0.69 0.00 0.00 0.00 175.10 174.95 3g3e s VAL 4 N 0.41 2.99 -0.22 2.92 1.01 0.05 -1.64 120.40 125.93 3g3e s VAL 4 Ca -0.09 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.70 3g3e s VAL 4 Cb -0.16 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 3g3e s VAL 4 CO 0.05 0.18 0.59 -0.69 0.00 0.00 0.00 175.10 175.22 3g3e s VAL 5 N 1.34 5.04 -0.44 2.92 1.01 -0.32 -0.54 120.40 129.41 3g3e s VAL 5 Ca 0.00 1.08 -0.17 0.00 0.00 0.00 0.00 61.98 62.89 3g3e s VAL 5 Cb -0.17 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.34 3g3e s VAL 5 CO -0.04 0.11 0.45 -0.63 0.00 0.00 0.00 175.10 174.99 3g3e s ILE 6 N 2.00 5.09 0.00 2.22 1.01 0.67 0.23 121.20 132.42 3g3e s ILE 6 Ca 0.26 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.42 3g3e s ILE 6 Cb -0.16 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.24 3g3e s ILE 6 CO 0.10 -0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.16 3g3e n GLY 7 N 5.13 3.81 0.63 6.18 0.00 0.18 -0.96 105.19 120.17 3g3e n GLY 7 Ca -0.08 -1.39 0.06 0.00 0.00 0.00 0.00 46.02 44.61 3g3e n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3e n ALA 8 N -0.00 3.10 -1.56 4.61 0.00 -1.26 -3.95 120.51 121.45 3g3e n ALA 8 Ca 0.00 -2.91 -0.01 0.00 0.00 0.00 0.00 53.44 50.53 3g3e n ALA 8 Cb 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 19.45 19.03 3g3e n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g3e n GLY 9 N -0.88 -0.32 0.38 0.00 0.00 -1.26 -4.49 105.19 98.62 3g3e n GLY 9 Ca 0.15 -1.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.36 3g3e n GLY 9 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3g3e h VAL 10 N -0.75 1.26 0.16 1.61 3.04 -1.95 -1.81 116.25 117.81 3g3e h VAL 10 Ca -0.01 -0.48 -0.01 0.00 -1.01 0.00 0.00 66.70 65.19 3g3e h VAL 10 Cb 0.04 -0.20 0.00 0.00 -2.01 0.00 0.00 31.29 29.12 3g3e h VAL 10 CO 0.01 0.25 -0.08 0.40 -1.01 0.00 0.00 177.57 177.14 3g3e h ILE 11 N 1.35 0.96 0.29 3.17 1.08 -1.92 -0.30 117.51 122.14 3g3e h ILE 11 Ca 0.36 -0.61 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 3g3e h ILE 11 Cb -0.14 1.33 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 3g3e h ILE 11 CO -0.08 0.14 -0.32 1.23 -0.69 0.00 0.00 178.15 178.44 3g3e h GLY 12 N -0.52 -1.07 1.52 5.37 0.00 -1.65 -0.61 103.07 106.11 3g3e h GLY 12 Ca -0.02 0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.81 3g3e h GLY 12 CO 0.04 -0.33 0.31 1.41 0.00 0.00 0.00 176.54 177.96 3g3e h LEU 13 N -0.62 0.52 0.89 3.11 3.38 -1.35 0.14 115.31 121.38 3g3e h LEU 13 Ca -0.04 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3g3e h LEU 13 Cb 0.54 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.17 3g3e h LEU 13 CO -0.05 0.37 -0.44 0.28 0.09 0.00 0.00 178.44 178.69 3g3e h SER 14 N 0.61 -1.05 -0.94 -0.43 0.02 -0.96 -2.12 113.55 108.69 3g3e h SER 14 Ca 0.18 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.24 3g3e h SER 14 Cb -0.04 0.28 -0.07 0.00 0.14 0.00 0.00 62.40 62.71 3g3e h SER 14 CO -0.04 -0.74 0.59 0.74 -1.14 0.00 0.00 176.83 176.24 3g3e h THR 15 N -1.21 1.04 0.07 -2.27 2.02 -0.70 0.67 112.91 112.53 3g3e h THR 15 Ca -0.12 -0.36 0.01 0.00 0.77 0.00 0.00 66.41 66.70 3g3e h THR 15 Cb 0.93 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3g3e h THR 15 CO 0.19 0.19 -0.09 0.00 0.37 0.00 0.00 175.52 176.18 3g3e h ALA 16 N 1.45 -0.16 -0.15 6.16 0.00 -0.98 0.52 119.26 126.09 3g3e h ALA 16 Ca 0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3g3e h ALA 16 Cb 0.22 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3g3e h ALA 16 CO -0.19 -0.61 0.01 1.25 0.00 0.00 0.00 179.25 179.71 3g3e h LEU 17 N -0.20 0.25 -0.94 0.00 5.85 -0.63 -1.16 115.31 118.49 3g3e h LEU 17 Ca 0.01 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.50 3g3e h LEU 17 Cb 0.20 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 3g3e h LEU 17 CO -0.04 0.48 0.60 0.00 -0.34 0.00 0.00 178.44 179.14 3g3e h ILE 19 N 1.12 1.28 -0.28 0.00 2.04 -0.61 -2.61 117.51 118.46 3g3e h ILE 19 Ca 0.39 -1.65 -0.08 0.00 1.00 0.00 0.00 64.86 64.52 3g3e h ILE 19 Cb 0.10 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3g3e h ILE 19 CO -0.15 0.54 -0.14 -0.74 0.00 0.00 0.00 178.15 177.66 3g3e h HIS 20 N 0.65 0.68 -0.64 1.37 2.76 -0.87 -2.24 115.15 116.87 3g3e h HIS 20 Ca 0.04 -0.17 0.12 0.00 -2.20 0.00 0.00 60.37 58.15 3g3e h HIS 20 Cb 1.04 -0.16 -0.09 0.00 1.55 0.00 0.00 27.41 29.76 3g3e h HIS 20 CO 0.06 0.83 0.17 0.93 -1.30 0.00 0.00 177.93 178.62 3g3e h GLU 21 N 0.33 0.30 0.00 5.26 5.08 -0.96 -2.16 114.58 122.42 3g3e h GLU 21 Ca 0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3g3e h GLU 21 Cb 0.66 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3g3e h GLU 21 CO 0.04 0.20 -0.81 -0.09 -1.00 0.00 0.00 179.01 177.35 3g3e h ARG 22 N 0.31 0.00 0.00 2.33 9.65 -1.26 -3.40 114.38 122.00 3g3e h ARG 22 Ca 0.34 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.22 3g3e h ARG 22 Cb 0.50 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 3g3e h ARG 22 CO -0.40 0.00 -0.13 0.66 2.80 0.00 0.00 179.97 182.89 3g3e n TYR 23 N -2.42 0.00 0.25 2.20 4.01 -0.86 -4.75 117.16 115.59 3g3e n TYR 23 Ca 0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.83 3g3e n TYR 23 Cb 0.50 0.00 0.61 0.00 -0.31 0.00 0.00 39.34 40.14 3g3e n TYR 23 CO 0.00 0.00 0.00 1.12 -0.46 0.00 0.00 176.86 177.52 3g3e h HIS 24 N 0.00 0.00 0.00 -0.72 2.07 -1.57 -0.30 115.15 114.64 3g3e h HIS 24 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3g3e h HIS 24 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 3g3e h HIS 24 CO 0.00 0.06 -0.07 -1.13 -3.07 0.00 0.00 177.93 173.72 3g3e n SER 25 N -4.42 0.68 -0.15 3.10 3.41 -1.26 -3.68 113.62 111.29 3g3e n SER 25 Ca -0.03 0.51 0.02 0.00 -0.26 0.00 0.00 58.87 59.11 3g3e n SER 25 Cb 0.14 -0.64 0.01 0.00 -0.26 0.00 0.00 64.21 63.47 3g3e n SER 25 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3g3e n VAL 26 N -2.12 0.00 -4.77 -3.33 0.24 -0.22 -4.98 118.33 103.15 3g3e n VAL 26 Ca 0.06 -0.49 -0.33 0.00 -2.04 0.00 0.00 64.34 61.53 3g3e n VAL 26 Cb 0.42 1.08 -0.14 0.00 -1.47 0.00 0.00 33.84 33.72 3g3e n VAL 26 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g3e s LEU 27 N -0.48 2.75 0.00 1.34 1.43 -0.62 -4.89 118.68 118.22 3g3e s LEU 27 Ca 0.04 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 3g3e s LEU 27 Cb 0.03 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.64 3g3e s LEU 27 CO 0.06 0.19 0.00 0.00 0.23 0.00 0.00 176.35 176.83 3g3e n GLN 28 N 3.35 0.00 -4.30 1.70 3.00 -1.26 -3.68 117.38 116.19 3g3e n GLN 28 Ca -0.18 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.46 3g3e n GLN 28 Cb 0.53 -0.37 -0.10 0.00 0.00 0.00 0.00 30.24 30.30 3g3e n GLN 28 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3g3e s PRO 29 N 0.00 3.31 -0.48 -1.09 0.04 -1.26 -4.94 135.00 130.58 3g3e s PRO 29 Ca 0.00 -0.41 -0.12 0.00 0.04 0.00 0.00 61.00 60.51 3g3e s PRO 29 Cb 0.00 -2.90 0.11 0.00 0.04 0.00 0.00 34.50 31.75 3g3e s PRO 29 CO 0.00 0.53 0.38 -1.17 0.04 0.00 0.00 177.00 176.79 3g3e s LEU 30 N -0.41 5.74 -0.42 -3.56 2.96 -1.24 0.54 118.68 122.29 3g3e s LEU 30 Ca 0.08 -1.71 -0.17 0.00 -0.22 0.00 0.00 54.13 52.11 3g3e s LEU 30 Cb -0.12 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.50 3g3e s LEU 30 CO 0.02 -0.71 0.43 -0.62 -1.32 0.00 0.00 176.35 174.15 3g3e s ASP 31 N 2.84 6.19 -0.17 3.68 -1.08 0.22 -4.92 116.67 123.44 3g3e s ASP 31 Ca 0.04 -0.69 -0.01 0.00 -0.52 0.00 0.00 52.55 51.38 3g3e s ASP 31 Cb -0.26 -2.22 -0.00 0.00 -1.46 0.00 0.00 42.92 38.97 3g3e s ASP 31 CO 0.02 -0.57 -0.13 -0.63 0.52 0.00 0.00 175.17 174.38 3g3e s ILE 32 N 2.10 2.87 0.03 4.11 1.01 -1.26 0.12 121.20 130.18 3g3e s ILE 32 Ca 0.12 -0.69 0.07 0.00 0.00 0.00 0.00 60.65 60.14 3g3e s ILE 32 Cb -0.17 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 3g3e s ILE 32 CO 0.13 0.50 -0.21 -0.54 0.00 0.00 0.00 174.94 174.82 3g3e s LYS 33 N 0.89 1.50 -0.21 2.79 1.02 -0.65 -2.85 119.74 122.23 3g3e s LYS 33 Ca -0.03 -0.91 -0.06 0.00 0.02 0.00 0.00 55.97 54.99 3g3e s LYS 33 Cb -0.15 -1.57 -0.03 0.00 -0.52 0.00 0.00 37.83 35.56 3g3e s LYS 33 CO -0.01 0.41 0.03 0.08 -0.92 0.00 0.00 175.35 174.94 3g3e s VAL 34 N -0.73 4.19 -0.19 3.17 1.01 0.94 -1.17 120.40 127.63 3g3e s VAL 34 Ca 0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 3g3e s VAL 34 Cb -0.09 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 3g3e s VAL 34 CO 0.01 0.41 0.03 -0.31 0.00 0.00 0.00 175.10 175.24 3g3e s TYR 35 N 1.07 3.14 -0.15 5.22 2.02 0.14 -0.65 117.35 128.13 3g3e s TYR 35 Ca 0.03 -0.17 -0.18 0.00 -0.37 0.00 0.00 57.07 56.38 3g3e s TYR 35 Cb -0.14 -2.08 0.05 0.00 -0.40 0.00 0.00 41.96 39.39 3g3e s TYR 35 CO 0.02 -0.03 0.48 0.00 -1.57 0.00 0.00 175.55 174.45 3g3e s ALA 36 N 0.66 -1.21 -0.16 3.71 0.00 -0.95 0.51 121.76 124.31 3g3e s ALA 36 Ca 0.01 1.23 0.18 0.00 0.00 0.00 0.00 51.96 53.38 3g3e s ALA 36 Cb -0.14 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 3g3e s ALA 36 CO 0.02 -0.25 1.06 0.38 0.00 0.00 0.00 175.76 176.97 3g3e h ASP 37 N 4.93 0.00 -3.77 0.00 2.03 -1.81 -1.15 116.42 116.64 3g3e h ASP 37 Ca -0.28 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.47 3g3e h ASP 37 Cb 1.17 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 39.36 3g3e h ASP 37 CO 0.24 0.43 -0.83 -0.13 -1.03 0.00 0.00 179.24 177.92 3g3e s ARG 38 N -3.02 1.82 0.47 4.15 0.52 -1.26 -4.70 118.95 116.93 3g3e s ARG 38 Ca -0.00 -0.58 0.07 0.00 -0.52 0.00 0.00 55.73 54.70 3g3e s ARG 38 Cb 0.08 -1.55 0.00 0.00 0.52 0.00 0.00 34.95 34.01 3g3e s ARG 38 CO 0.78 0.20 0.40 -0.06 0.02 0.00 0.00 175.30 176.64 3g3e s PHE 39 N 0.17 2.27 0.00 -0.53 0.08 -1.26 -4.56 117.98 114.15 3g3e s PHE 39 Ca -0.07 -0.63 0.00 0.00 0.12 0.00 0.00 56.93 56.36 3g3e s PHE 39 Cb -0.13 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.25 3g3e s PHE 39 CO 0.03 -0.28 0.00 2.41 -0.10 0.00 0.00 175.22 177.27 3g3e n THR 40 N -1.64 0.00 -0.44 0.64 -1.04 -1.26 -1.11 114.28 109.43 3g3e n THR 40 Ca 0.03 0.00 0.40 0.00 -2.04 0.00 0.00 64.05 62.44 3g3e n THR 40 Cb 0.63 0.00 0.63 0.00 -1.82 0.00 0.00 70.33 69.77 3g3e n THR 40 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3g3e h PRO 41 N 0.00 0.00 -0.47 -2.82 0.11 -1.96 0.38 132.00 127.24 3g3e h PRO 41 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3g3e h PRO 41 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3g3e h PRO 41 CO 0.00 0.00 0.01 1.28 -0.21 0.00 0.00 178.00 179.08 3g3e n LEU 42 N -3.59 5.09 -4.93 2.35 4.77 -0.26 -4.83 117.00 115.59 3g3e n LEU 42 Ca 0.33 -3.00 -0.20 0.00 -0.03 0.00 0.00 56.01 53.11 3g3e n LEU 42 Cb 1.74 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 42.17 3g3e n LEU 42 CO 0.34 0.66 -0.01 0.42 -1.33 0.00 0.00 177.39 177.47 3g3e s THR 43 N -2.82 4.03 0.38 -5.08 -4.23 0.13 -4.81 115.64 103.25 3g3e s THR 43 Ca 0.50 -1.15 0.05 0.00 -1.18 0.00 0.00 61.69 59.92 3g3e s THR 43 Cb 0.39 -3.38 0.24 0.00 1.34 0.00 0.00 72.50 71.10 3g3e s THR 43 CO 0.13 -0.19 2.01 0.74 -0.54 0.00 0.00 174.62 176.77 3g3e h THR 44 N 1.08 1.14 0.00 3.99 2.02 -1.94 -1.36 112.91 117.84 3g3e h THR 44 Ca -0.46 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 3g3e h THR 44 Cb 1.25 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3g3e h THR 44 CO 0.56 0.15 -0.08 0.74 0.37 0.00 0.00 175.52 177.26 3g3e h THR 45 N 0.64 0.74 -0.00 3.16 2.02 -1.93 -1.81 112.91 115.72 3g3e h THR 45 Ca 0.17 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3g3e h THR 45 Cb 0.00 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3g3e h THR 45 CO -0.03 0.08 -0.13 0.47 0.37 0.00 0.00 175.52 176.29 3g3e n ASP 46 N -3.97 0.42 -0.01 4.18 9.92 -0.51 -3.16 116.55 123.42 3g3e n ASP 46 Ca -0.02 -0.45 0.10 0.00 -0.53 0.00 0.00 54.79 53.89 3g3e n ASP 46 Cb 0.17 -0.09 -0.15 0.00 -0.64 0.00 0.00 41.12 40.41 3g3e n ASP 46 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3g3e n VAL 47 N -1.05 0.00 -2.15 2.53 0.31 -0.70 -4.65 118.33 112.62 3g3e n VAL 47 Ca 0.13 -0.37 -0.41 0.00 -0.01 0.00 0.00 64.34 63.69 3g3e n VAL 47 Cb 0.29 0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 33.45 3g3e n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g3e s ALA 48 N -3.29 3.49 0.04 3.52 0.00 -1.08 -4.95 121.76 119.50 3g3e s ALA 48 Ca -0.04 1.23 -0.25 0.00 0.00 0.00 0.00 51.96 52.89 3g3e s ALA 48 Cb 0.13 -3.47 -0.17 0.00 0.00 0.00 0.00 23.12 19.62 3g3e s ALA 48 CO 0.84 -0.60 1.47 0.00 0.00 0.00 0.00 175.76 177.47 3g3e h ALA 49 N 3.47 -0.23 0.00 0.00 0.00 -1.92 -3.39 119.26 117.19 3g3e h ALA 49 Ca -0.49 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3g3e h ALA 49 Cb 1.22 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3g3e h ALA 49 CO 0.66 -0.52 0.00 0.41 0.00 0.00 0.00 179.25 179.80 3g3e n GLY 50 N -0.60 1.51 3.70 0.00 0.00 -1.26 -4.34 105.19 104.20 3g3e n GLY 50 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3g3e n GLY 50 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g3e s LEU 51 N 0.00 4.32 -0.37 0.99 2.96 -1.26 -0.48 118.68 124.83 3g3e s LEU 51 Ca 0.00 1.68 -0.29 0.00 -0.22 0.00 0.00 54.13 55.30 3g3e s LEU 51 Cb 0.00 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.14 3g3e s LEU 51 CO 0.00 -0.38 1.26 0.86 -1.32 0.00 0.00 176.35 176.77 3g3e s TRP 52 N 1.49 2.70 -0.30 5.38 -0.00 0.59 -4.64 118.94 124.16 3g3e s TRP 52 Ca 0.52 0.83 -0.10 0.00 -0.00 0.00 0.00 56.10 57.35 3g3e s TRP 52 Cb -0.21 -4.11 0.16 0.00 -0.00 0.00 0.00 33.47 29.31 3g3e s TRP 52 CO 0.24 -1.55 0.80 -1.14 -0.00 0.00 0.00 176.95 175.30 3g3e s GLN 53 N 4.37 0.43 0.85 5.86 0.74 -1.26 -4.59 119.66 126.06 3g3e s GLN 53 Ca 0.54 0.97 -0.13 0.00 0.05 0.00 0.00 55.36 56.79 3g3e s GLN 53 Cb -0.13 0.57 0.11 0.00 1.10 0.00 0.00 33.01 34.66 3g3e s GLN 53 CO 0.27 -0.27 1.20 -2.14 -0.55 0.00 0.00 175.29 173.80 3g3e s PRO 54 N 2.76 1.59 0.68 1.67 0.02 -1.26 -4.90 135.00 135.56 3g3e s PRO 54 Ca 0.02 0.04 -0.17 0.00 0.02 0.00 0.00 61.00 60.91 3g3e s PRO 54 Cb -0.11 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 3g3e s PRO 54 CO -0.18 -1.84 0.71 0.66 -0.33 0.00 0.00 177.00 176.02 3g3e n TYR 55 N -3.47 -0.16 -0.18 6.54 4.02 -1.26 -4.89 117.16 117.76 3g3e n TYR 55 Ca 0.09 0.39 -0.08 0.00 -0.01 0.00 0.00 57.90 58.29 3g3e n TYR 55 Cb 0.60 -2.00 0.01 0.00 -0.02 0.00 0.00 39.34 37.94 3g3e n TYR 55 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3g3e h LEU 56 N -0.11 0.74 -9.71 7.72 3.38 -2.00 -3.46 115.31 111.87 3g3e h LEU 56 Ca -0.46 -0.21 -0.57 0.00 0.09 0.00 0.00 57.88 56.73 3g3e h LEU 56 Cb 1.36 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 3g3e h LEU 56 CO 0.46 0.75 -0.59 -0.94 0.09 0.00 0.00 178.44 178.21 3g3e s SER 57 N -6.09 5.31 -0.11 -0.43 1.04 -1.26 -3.45 113.70 108.72 3g3e s SER 57 Ca -0.13 -0.22 -0.31 0.00 0.48 0.00 0.00 55.95 55.78 3g3e s SER 57 Cb 0.12 -1.32 -0.08 0.00 0.10 0.00 0.00 66.02 64.84 3g3e s SER 57 CO 0.79 0.06 2.06 0.47 0.98 0.00 0.00 173.24 177.60 3g3e n ASP 58 N -0.38 3.56 -2.81 7.02 8.00 -1.26 -4.96 116.55 125.71 3g3e n ASP 58 Ca -0.09 0.63 0.00 0.00 0.71 0.00 0.00 54.79 56.05 3g3e n ASP 58 Cb 0.55 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 3g3e n ASP 58 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3g3e n PRO 59 N 7.85 0.21 0.07 -0.24 -0.04 -1.26 -5.02 135.00 136.58 3g3e n PRO 59 Ca 0.26 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.62 3g3e n PRO 59 Cb 0.39 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.78 3g3e n PRO 59 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3g3e h ASN 60 N -0.30 -0.23 -3.66 3.54 2.35 -1.93 -3.41 115.58 111.95 3g3e h ASN 60 Ca 0.00 -0.26 -0.66 0.00 -0.55 0.00 0.00 56.30 54.83 3g3e h ASN 60 Cb 0.00 0.06 -0.17 0.00 0.05 0.00 0.00 38.32 38.26 3g3e h ASN 60 CO 0.00 0.31 -0.29 0.21 -1.65 0.00 0.00 177.43 176.02 3g3e s ASN 61 N -5.38 6.18 0.00 5.81 2.47 -1.26 -4.94 114.94 117.82 3g3e s ASN 61 Ca -0.11 -0.25 0.28 0.00 0.42 0.00 0.00 52.86 53.21 3g3e s ASN 61 Cb 0.00 -2.20 1.69 0.00 -1.45 0.00 0.00 41.25 39.30 3g3e s ASN 61 CO 0.39 -0.35 2.09 -0.81 -3.72 0.00 0.00 177.10 174.70 3g3e n PRO 62 N 5.39 1.00 0.22 0.43 -0.04 -1.26 -2.73 135.00 138.00 3g3e n PRO 62 Ca -0.09 -0.01 0.15 0.00 -0.04 0.00 0.00 63.50 63.51 3g3e n PRO 62 Cb 0.49 -1.44 0.52 0.00 -0.04 0.00 0.00 33.50 33.03 3g3e n PRO 62 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3g3e h GLN 63 N 0.01 0.00 -0.01 0.54 4.15 -1.97 -2.66 115.11 115.17 3g3e h GLN 63 Ca 0.00 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.23 3g3e h GLN 63 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3g3e h GLN 63 CO 0.00 0.00 -0.83 0.93 -1.93 0.00 0.00 178.83 177.00 3g3e h GLU 64 N 0.00 0.19 -0.31 1.69 5.08 -1.95 -1.63 114.58 117.65 3g3e h GLU 64 Ca 0.00 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 3g3e h GLU 64 Cb 0.59 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3g3e h GLU 64 CO 0.00 0.91 -0.03 0.00 -1.00 0.00 0.00 179.01 178.89 3g3e h ALA 65 N 1.02 1.37 -0.03 3.43 0.00 -1.67 -0.71 119.26 122.66 3g3e h ALA 65 Ca -0.04 -0.21 -0.25 0.00 0.00 0.00 0.00 54.91 54.42 3g3e h ALA 65 Cb 1.44 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 19.11 3g3e h ALA 65 CO 0.13 0.44 -0.94 -0.44 0.00 0.00 0.00 179.25 178.43 3g3e h ASP 66 N 0.47 0.88 -0.62 0.00 3.32 -1.52 -2.33 116.42 116.63 3g3e h ASP 66 Ca 0.10 -0.72 -0.05 0.00 0.02 0.00 0.00 57.03 56.38 3g3e h ASP 66 Cb 0.36 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3g3e h ASP 66 CO 0.01 1.48 0.19 -0.50 -1.72 0.00 0.00 179.24 178.71 3g3e h TRP 67 N 0.37 1.00 -0.64 4.55 6.55 -1.07 -0.23 115.95 126.47 3g3e h TRP 67 Ca -0.11 -0.10 -0.07 0.00 0.95 0.00 0.00 58.89 59.56 3g3e h TRP 67 Cb 1.59 -0.29 -0.03 0.00 -0.86 0.00 0.00 29.16 29.58 3g3e h TRP 67 CO 0.11 0.82 0.12 0.77 -1.05 0.00 0.00 178.44 179.21 3g3e h SER 68 N 0.89 0.99 -0.13 -3.49 0.02 -1.11 -2.40 113.55 108.31 3g3e h SER 68 Ca 0.20 -0.22 -0.14 0.00 -0.84 0.00 0.00 61.79 60.79 3g3e h SER 68 Cb 0.29 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.57 3g3e h SER 68 CO -0.01 0.97 -0.48 -0.61 -1.14 0.00 0.00 176.83 175.57 3g3e h GLN 69 N 0.98 0.56 -0.50 3.45 4.15 -1.24 -0.72 115.11 121.79 3g3e h GLN 69 Ca 0.20 -0.42 0.10 0.00 0.77 0.00 0.00 58.65 59.30 3g3e h GLN 69 Cb 0.40 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 3g3e h GLN 69 CO 0.01 1.05 0.35 1.96 -1.93 0.00 0.00 178.83 180.26 3g3e h GLN 70 N 0.19 0.22 -0.03 1.69 4.20 -0.92 0.21 115.11 120.66 3g3e h GLN 70 Ca -0.02 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 3g3e h GLN 70 Cb 1.11 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.84 3g3e h GLN 70 CO 0.10 0.14 -0.30 1.15 -0.67 0.00 0.00 178.83 179.25 3g3e h THR 71 N 0.23 1.47 0.11 -0.54 2.02 -1.18 -1.55 112.91 113.47 3g3e h THR 71 Ca 0.23 -1.82 0.02 0.00 0.77 0.00 0.00 66.41 65.61 3g3e h THR 71 Cb 0.63 2.52 -0.03 0.00 -1.74 0.00 0.00 68.15 69.53 3g3e h THR 71 CO -0.04 0.51 -0.25 0.15 0.37 0.00 0.00 175.52 176.26 3g3e h PHE 72 N -0.30 -0.67 -0.60 3.16 3.57 0.32 -0.48 116.94 121.95 3g3e h PHE 72 Ca -0.03 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 3g3e h PHE 72 Cb 1.00 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.96 3g3e h PHE 72 CO 0.15 -0.35 0.32 -0.44 -2.23 0.00 0.00 178.31 175.75 3g3e h ASP 73 N -0.45 0.46 -0.25 0.41 3.32 -0.69 0.47 116.42 119.69 3g3e h ASP 73 Ca 0.03 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 3g3e h ASP 73 Cb 0.48 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3g3e h ASP 73 CO -0.15 0.30 -0.03 0.22 -1.72 0.00 0.00 179.24 177.86 3g3e h TYR 74 N 0.59 0.62 0.07 4.55 3.20 -1.01 -2.47 116.97 122.52 3g3e h TYR 74 Ca 0.27 -0.08 -0.26 0.00 3.14 0.00 0.00 58.73 61.80 3g3e h TYR 74 Cb 0.17 -0.17 0.02 0.00 1.54 0.00 0.00 36.73 38.29 3g3e h TYR 74 CO -0.09 0.62 -1.05 -0.07 -1.64 0.00 0.00 178.16 175.93 3g3e h LEU 75 N 0.56 0.80 -1.65 2.82 3.38 -0.27 -3.24 115.31 117.72 3g3e h LEU 75 Ca 0.11 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.29 3g3e h LEU 75 Cb 0.40 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3g3e h LEU 75 CO 0.02 1.51 0.21 0.25 0.09 0.00 0.00 178.44 180.52 3g3e h LEU 76 N 0.20 0.39 0.00 1.67 6.46 -0.88 -0.43 115.31 122.72 3g3e h LEU 76 Ca -0.15 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 3g3e h LEU 76 Cb 1.73 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.56 3g3e h LEU 76 CO 0.20 0.29 0.00 -1.54 -0.62 0.00 0.00 178.44 176.77 3g3e n SER 77 N -4.48 0.00 0.00 1.25 3.41 -0.94 -2.67 113.62 110.20 3g3e n SER 77 Ca 0.02 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3g3e n SER 77 Cb 0.07 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 3g3e n SER 77 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3g3e n HIS 78 N -1.33 0.00 0.17 7.33 8.25 -0.26 -4.74 115.22 124.64 3g3e n HIS 78 Ca 0.10 -0.27 0.05 0.00 -0.26 0.00 0.00 57.72 57.34 3g3e n HIS 78 Cb 0.21 -0.03 0.49 0.00 1.12 0.00 0.00 29.99 31.78 3g3e n HIS 78 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3g3e h VAL 79 N 0.50 1.11 -0.33 1.59 3.04 -1.09 -2.32 116.25 118.75 3g3e h VAL 79 Ca 0.00 -0.46 -0.07 0.00 -1.01 0.00 0.00 66.70 65.16 3g3e h VAL 79 Cb 0.45 1.10 -0.04 0.00 -2.01 0.00 0.00 31.29 30.78 3g3e h VAL 79 CO 0.00 0.14 0.01 1.41 -1.01 0.00 0.00 177.57 178.12 3g3e n HIS 80 N -4.38 1.11 -3.54 3.17 8.25 -1.26 -4.83 115.22 113.73 3g3e n HIS 80 Ca -0.01 -1.12 -0.38 0.00 -0.26 0.00 0.00 57.72 55.95 3g3e n HIS 80 Cb 0.19 -0.40 -0.06 0.00 1.12 0.00 0.00 29.99 30.84 3g3e n HIS 80 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3g3e s SER 81 N -2.05 6.76 -1.15 0.41 1.04 -0.87 -4.99 113.70 112.85 3g3e s SER 81 Ca 0.44 0.91 -0.22 0.00 0.48 0.00 0.00 55.95 57.56 3g3e s SER 81 Cb 0.37 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 64.22 3g3e s SER 81 CO 0.07 0.33 1.86 -2.84 0.98 0.00 0.00 173.24 173.64 3g3e s PRO 82 N -1.12 2.88 0.00 4.02 0.02 -1.26 -1.01 135.00 138.53 3g3e s PRO 82 Ca 0.23 -1.19 0.00 0.00 0.02 0.00 0.00 61.00 60.06 3g3e s PRO 82 Cb -0.16 -5.28 0.00 0.00 0.02 0.00 0.00 34.50 29.08 3g3e s PRO 82 CO 0.13 -3.42 0.00 0.09 -0.33 0.00 0.00 177.00 173.47 3g3e n ASN 83 N 12.73 0.00 -0.29 2.53 4.13 -1.26 -5.00 115.26 128.10 3g3e n ASN 83 Ca 0.44 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.68 3g3e n ASN 83 Cb 0.47 0.00 0.10 0.00 -1.54 0.00 0.00 39.78 38.80 3g3e n ASN 83 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g3e h ALA 84 N 0.00 1.05 0.00 5.41 0.00 -1.29 -0.35 119.26 124.08 3g3e h ALA 84 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3g3e h ALA 84 Cb 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3g3e h ALA 84 CO 0.00 0.34 -0.09 1.05 0.00 0.00 0.00 179.25 180.55 3g3e h GLU 85 N 1.01 0.00 -0.03 0.00 4.11 -1.82 -0.79 114.58 117.05 3g3e h GLU 85 Ca 0.32 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.61 3g3e h GLU 85 Cb -0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3g3e h GLU 85 CO -0.11 0.09 -0.63 -0.91 0.07 0.00 0.00 179.01 177.52 3g3e h ASN 86 N 0.00 0.15 0.11 3.06 4.21 -1.46 -3.06 115.58 118.59 3g3e h ASN 86 Ca -0.00 -0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.42 3g3e h ASN 86 Cb 0.59 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 3g3e h ASN 86 CO 0.01 0.74 -0.20 0.00 -1.29 0.00 0.00 177.43 176.70 3g3e n LEU 87 N -3.83 1.47 -1.87 1.61 -0.00 -0.75 -4.51 117.00 109.14 3g3e n LEU 87 Ca -0.02 -0.46 -0.12 0.00 -0.00 0.00 0.00 56.01 55.41 3g3e n LEU 87 Cb 0.63 -0.06 0.03 0.00 -0.00 0.00 0.00 43.42 44.02 3g3e n LEU 87 CO 0.44 0.26 0.05 0.61 -0.00 0.00 0.00 177.39 178.75 3g3e n GLY 88 N 1.31 0.10 3.51 1.47 0.00 -0.43 -2.57 105.19 108.58 3g3e n GLY 88 Ca 0.14 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 3g3e n GLY 88 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g3e s LEU 89 N -3.96 3.38 0.18 0.99 2.96 -0.47 -1.31 118.68 120.45 3g3e s LEU 89 Ca 0.22 -0.10 -0.19 0.00 -0.22 0.00 0.00 54.13 53.84 3g3e s LEU 89 Cb -0.10 -1.84 0.04 0.00 0.50 0.00 0.00 46.19 44.79 3g3e s LEU 89 CO 0.27 0.14 0.52 0.72 -1.32 0.00 0.00 176.35 176.68 3g3e s PHE 90 N 0.57 -0.23 0.09 5.38 -0.12 -0.79 -4.46 117.98 118.43 3g3e s PHE 90 Ca -0.01 -0.09 -0.12 0.00 -0.05 0.00 0.00 56.93 56.66 3g3e s PHE 90 Cb -0.14 0.41 -0.06 0.00 -0.63 0.00 0.00 43.02 42.60 3g3e s PHE 90 CO 0.02 -0.87 0.46 -1.17 -0.05 0.00 0.00 175.22 173.61 3g3e s LEU 91 N -2.83 4.37 -0.21 -1.99 2.96 -1.26 -1.36 118.68 118.35 3g3e s LEU 91 Ca 0.06 0.92 -0.15 0.00 -0.22 0.00 0.00 54.13 54.74 3g3e s LEU 91 Cb -0.01 -3.02 0.06 0.00 0.50 0.00 0.00 46.19 43.72 3g3e s LEU 91 CO -0.06 0.17 0.54 -0.51 -1.32 0.00 0.00 176.35 175.17 3g3e s ILE 92 N -1.37 -0.01 0.27 6.68 2.07 -0.50 -4.89 121.20 123.45 3g3e s ILE 92 Ca 0.33 0.03 0.07 0.00 -1.41 0.00 0.00 60.65 59.67 3g3e s ILE 92 Cb -0.15 -0.78 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 3g3e s ILE 92 CO 0.18 0.01 0.23 -0.44 -1.91 0.00 0.00 174.94 173.01 3g3e s SER 93 N 0.95 5.52 0.00 4.50 0.01 -1.26 -1.25 113.70 122.18 3g3e s SER 93 Ca -0.05 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.93 3g3e s SER 93 Cb -0.05 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.83 3g3e s SER 93 CO -0.08 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.07 3g3e n GLY 94 N -1.23 -1.25 3.54 3.44 0.00 -0.79 -2.13 105.19 106.77 3g3e n GLY 94 Ca -0.07 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 3g3e n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g3e s TYR 95 N -3.00 2.93 -0.19 1.61 1.51 0.10 -2.39 117.35 117.92 3g3e s TYR 95 Ca 0.00 -0.11 -0.03 0.00 -1.01 0.00 0.00 57.07 55.92 3g3e s TYR 95 Cb 0.00 -1.76 -0.01 0.00 -0.11 0.00 0.00 41.96 40.08 3g3e s TYR 95 CO 0.00 0.20 -0.08 -0.80 -1.11 0.00 0.00 175.55 173.77 3g3e s ASN 96 N -0.48 4.19 -0.10 2.29 0.01 -0.87 -0.06 114.94 119.92 3g3e s ASN 96 Ca 0.07 -0.37 0.03 0.00 -0.71 0.00 0.00 52.86 51.88 3g3e s ASN 96 Cb -0.12 -1.69 -0.01 0.00 0.41 0.00 0.00 41.25 39.84 3g3e s ASN 96 CO 0.02 0.05 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.70 3g3e s LEU 97 N 1.06 2.33 0.21 0.60 1.43 0.06 -0.57 118.68 123.80 3g3e s LEU 97 Ca 0.00 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.72 3g3e s LEU 97 Cb -0.15 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 3g3e s LEU 97 CO -0.01 0.18 -0.15 -0.36 0.23 0.00 0.00 176.35 176.24 3g3e s PHE 98 N 0.25 1.74 -0.13 0.29 0.40 0.03 -0.61 117.98 119.95 3g3e s PHE 98 Ca -0.13 -0.55 0.15 0.00 -0.60 0.00 0.00 56.93 55.79 3g3e s PHE 98 Cb -0.17 -0.81 0.01 0.00 0.51 0.00 0.00 43.02 42.57 3g3e s PHE 98 CO 0.07 0.37 1.33 0.45 0.70 0.00 0.00 175.22 178.14 3g3e h HIS 99 N 2.59 0.00 -4.08 0.36 3.86 -1.83 -1.78 115.15 114.27 3g3e h HIS 99 Ca -0.38 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.56 3g3e h HIS 99 Cb 1.22 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.62 3g3e h HIS 99 CO 0.72 0.54 -0.17 -1.83 0.86 0.00 0.00 177.93 178.05 3g3e s GLU 100 N -2.94 1.93 0.71 2.45 -1.05 -1.26 -4.15 118.70 114.39 3g3e s GLU 100 Ca 0.03 -1.75 -0.15 0.00 -0.15 0.00 0.00 54.97 52.95 3g3e s GLU 100 Cb 0.08 0.45 0.03 0.00 -0.44 0.00 0.00 34.13 34.25 3g3e s GLU 100 CO 0.76 -0.80 1.15 0.00 0.95 0.00 0.00 175.26 177.32 3g3e s ALA 101 N -3.02 2.25 0.12 -0.84 0.00 -1.26 -4.77 121.76 114.24 3g3e s ALA 101 Ca 0.30 0.69 -0.20 0.00 0.00 0.00 0.00 51.96 52.75 3g3e s ALA 101 Cb -0.01 -3.39 0.05 0.00 0.00 0.00 0.00 23.12 19.77 3g3e s ALA 101 CO 0.20 -1.65 0.49 -1.50 0.00 0.00 0.00 175.76 173.31 3g3e s ILE 102 N -2.22 0.04 0.47 0.00 2.07 -1.26 -5.15 121.20 115.14 3g3e s ILE 102 Ca 0.70 -0.31 -0.22 0.00 -1.41 0.00 0.00 60.65 59.41 3g3e s ILE 102 Cb -0.24 -1.06 -0.08 0.00 0.13 0.00 0.00 42.46 41.21 3g3e s ILE 102 CO 0.45 -0.17 1.11 -2.84 -1.91 0.00 0.00 174.94 171.58 3g3e s PRO 103 N -3.45 3.77 0.43 3.50 0.02 -1.26 -4.99 135.00 133.02 3g3e s PRO 103 Ca 0.00 1.62 -0.23 0.00 0.02 0.00 0.00 61.00 62.41 3g3e s PRO 103 Cb 0.00 -2.30 -0.11 0.00 0.02 0.00 0.00 34.50 32.11 3g3e s PRO 103 CO -0.10 -0.51 0.88 -0.25 -0.33 0.00 0.00 177.00 176.69 3g3e n ASP 104 N -0.64 0.62 -4.79 2.53 9.92 -1.26 -4.94 116.55 117.99 3g3e n ASP 104 Ca 0.08 0.98 -0.31 0.00 -0.53 0.00 0.00 54.79 55.02 3g3e n ASP 104 Cb 0.50 -1.29 0.08 0.00 -0.64 0.00 0.00 41.12 39.77 3g3e n ASP 104 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3g3e s PRO 105 N -1.94 2.45 0.31 -0.24 0.04 -1.26 -4.91 135.00 129.44 3g3e s PRO 105 Ca 0.64 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.68 3g3e s PRO 105 Cb -0.56 -1.93 0.53 0.00 0.04 0.00 0.00 34.50 32.58 3g3e s PRO 105 CO 0.56 -1.46 1.95 0.66 0.04 0.00 0.00 177.00 178.75 3g3e h SER 106 N -0.99 0.88 -0.14 6.66 4.64 -1.89 -2.54 113.55 120.18 3g3e h SER 106 Ca -0.44 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3g3e h SER 106 Cb 1.23 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3g3e h SER 106 CO 0.55 0.60 0.00 -2.67 -0.87 0.00 0.00 176.83 174.44 3g3e n TRP 107 N -4.45 0.35 0.24 4.77 4.27 -1.26 -4.22 117.44 117.15 3g3e n TRP 107 Ca 0.11 -0.13 0.13 0.00 -3.89 0.00 0.00 57.50 53.72 3g3e n TRP 107 Cb 0.12 -0.11 0.78 0.00 -1.36 0.00 0.00 31.31 30.74 3g3e n TRP 107 CO 0.00 0.00 0.00 1.57 -2.29 0.00 0.00 177.69 176.97 3g3e h LYS 108 N 0.88 0.00 0.00 -2.67 2.10 -1.82 -0.78 116.57 114.28 3g3e h LYS 108 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3g3e h LYS 108 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 3g3e h LYS 108 CO 0.06 0.00 -1.11 -0.25 -2.00 0.00 0.00 179.45 176.15 3g3e n ASP 109 N -4.13 0.66 -0.01 7.07 8.00 -1.26 -4.23 116.55 122.65 3g3e n ASP 109 Ca -0.01 -0.49 -0.17 0.00 0.71 0.00 0.00 54.79 54.83 3g3e n ASP 109 Cb 0.18 1.00 -0.10 0.00 -0.02 0.00 0.00 41.12 42.18 3g3e n ASP 109 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3g3e h THR 110 N 0.00 1.41 -3.73 -3.53 2.02 -1.44 -3.45 112.91 104.19 3g3e h THR 110 Ca 0.00 -1.99 -0.44 0.00 0.77 0.00 0.00 66.41 64.75 3g3e h THR 110 Cb 0.66 2.47 0.17 0.00 -1.74 0.00 0.00 68.15 69.71 3g3e h THR 110 CO 0.00 0.59 0.17 0.68 0.37 0.00 0.00 175.52 177.32 3g3e s VAL 111 N -3.36 1.88 -0.18 3.16 -7.23 -1.10 -4.97 120.40 108.59 3g3e s VAL 111 Ca -0.13 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 59.90 3g3e s VAL 111 Cb 0.04 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 3g3e s VAL 111 CO 0.82 0.00 0.30 -0.76 -0.31 0.00 0.00 175.10 175.15 3g3e s LEU 112 N -6.65 4.20 -1.28 1.32 1.02 -0.59 -4.62 118.68 112.09 3g3e s LEU 112 Ca 0.67 0.45 -0.08 0.00 0.02 0.00 0.00 54.13 55.19 3g3e s LEU 112 Cb -0.16 -2.36 0.01 0.00 0.02 0.00 0.00 46.19 43.69 3g3e s LEU 112 CO 0.57 0.05 1.08 0.61 0.02 0.00 0.00 176.35 178.69 3g3e n GLY 113 N 3.63 -0.44 3.76 -3.19 0.00 -1.26 -0.08 105.19 107.61 3g3e n GLY 113 Ca -0.12 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3g3e n GLY 113 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3g3e s PHE 114 N -3.29 2.69 0.13 1.61 5.36 -1.26 -4.46 117.98 118.75 3g3e s PHE 114 Ca 0.54 0.92 -0.25 0.00 -0.96 0.00 0.00 56.93 57.17 3g3e s PHE 114 Cb -0.24 -4.06 0.07 0.00 -0.34 0.00 0.00 43.02 38.46 3g3e s PHE 114 CO 0.66 -3.39 0.78 -0.98 -1.46 0.00 0.00 175.22 170.83 3g3e s ARG 115 N -1.08 1.21 0.33 10.12 1.70 -0.31 -5.01 118.95 125.91 3g3e s ARG 115 Ca 0.60 -0.54 -0.27 0.00 -0.47 0.00 0.00 55.73 55.04 3g3e s ARG 115 Cb -0.47 0.49 -0.09 0.00 -0.57 0.00 0.00 34.95 34.31 3g3e s ARG 115 CO 0.53 -0.54 1.09 0.15 -1.08 0.00 0.00 175.30 175.45 3g3e s LYS 116 N -3.49 4.43 0.26 3.89 3.01 -1.26 -0.50 119.74 126.08 3g3e s LYS 116 Ca 0.06 1.71 -0.30 0.00 -1.01 0.00 0.00 55.97 56.43 3g3e s LYS 116 Cb -0.02 -2.93 -0.10 0.00 -1.01 0.00 0.00 37.83 33.77 3g3e s LYS 116 CO -0.05 0.05 1.39 -0.51 0.51 0.00 0.00 175.35 176.74 3g3e s LEU 117 N -1.93 4.40 0.62 3.17 1.43 0.14 -4.74 118.68 121.77 3g3e s LEU 117 Ca 0.50 2.62 -0.10 0.00 -1.03 0.00 0.00 54.13 56.12 3g3e s LEU 117 Cb -0.29 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 3g3e s LEU 117 CO 0.36 -0.64 1.01 0.42 0.23 0.00 0.00 176.35 177.74 3g3e s THR 118 N -0.20 4.48 0.25 5.49 -4.23 -1.26 -4.80 115.64 115.37 3g3e s THR 118 Ca 0.57 0.71 -0.04 0.00 -1.18 0.00 0.00 61.69 61.75 3g3e s THR 118 Cb -0.40 -3.79 0.22 0.00 1.34 0.00 0.00 72.50 69.87 3g3e s THR 118 CO 0.44 -1.01 1.83 -0.65 -0.54 0.00 0.00 174.62 174.69 3g3e h PRO 119 N -0.32 0.85 0.00 3.99 0.11 -1.98 -1.51 132.00 133.14 3g3e h PRO 119 Ca -0.44 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3g3e h PRO 119 Cb 1.20 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3g3e h PRO 119 CO 0.62 0.56 -0.22 0.00 -0.21 0.00 0.00 178.00 178.75 3g3e h ARG 120 N 0.88 0.00 0.11 1.05 3.08 -1.99 0.48 114.38 117.99 3g3e h ARG 120 Ca 0.40 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.17 3g3e h ARG 120 Cb 0.30 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.38 3g3e h ARG 120 CO -0.22 0.22 -1.17 0.93 -1.07 0.00 0.00 179.97 178.66 3g3e h GLU 121 N 0.00 0.60 0.00 0.04 5.08 -1.70 -3.21 114.58 115.39 3g3e h GLU 121 Ca -0.00 -0.79 -0.03 0.00 -1.00 0.00 0.00 59.36 57.53 3g3e h GLU 121 Cb 0.56 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 3g3e h GLU 121 CO 0.03 1.35 -0.16 -0.07 -1.00 0.00 0.00 179.01 179.16 3g3e h LEU 122 N 0.21 0.00 -1.34 1.33 3.38 -0.39 -1.79 115.31 116.71 3g3e h LEU 122 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3g3e h LEU 122 Cb 1.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.60 3g3e h LEU 122 CO 0.22 0.16 0.00 0.44 0.09 0.00 0.00 178.44 179.36 3g3e h ASP 123 N 0.00 0.00 1.64 -0.43 3.32 -0.94 -0.89 116.42 119.12 3g3e h ASP 123 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g3e h ASP 123 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3g3e h ASP 123 CO 0.02 0.00 0.00 0.24 -1.72 0.00 0.00 179.24 177.78 3g3e h MET 124 N 0.00 0.00 -2.89 3.56 2.86 -1.42 -3.38 114.93 113.66 3g3e h MET 124 Ca 0.00 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.03 3g3e h MET 124 Cb 0.31 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 31.57 3g3e h MET 124 CO 0.00 0.00 -0.71 -0.06 1.06 0.00 0.00 176.91 177.20 3g3e s PHE 125 N -3.28 2.64 0.49 -0.22 0.08 -0.34 -4.99 117.98 112.36 3g3e s PHE 125 Ca 0.06 -2.92 0.28 0.00 0.12 0.00 0.00 56.93 54.47 3g3e s PHE 125 Cb 0.07 -2.10 1.36 0.00 -0.57 0.00 0.00 43.02 41.78 3g3e s PHE 125 CO 0.62 -0.67 1.85 -1.35 -0.10 0.00 0.00 175.22 175.57 3g3e h PRO 126 N 5.71 0.14 -0.00 0.24 0.11 -1.75 -1.67 132.00 134.78 3g3e h PRO 126 Ca 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3g3e h PRO 126 Cb 0.83 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3g3e h PRO 126 CO 0.59 0.09 -0.23 -0.25 -0.21 0.00 0.00 178.00 177.99 3g3e n ASP 127 N -4.36 0.51 -4.32 -2.05 8.00 -1.26 -4.82 116.55 108.25 3g3e n ASP 127 Ca 0.21 -0.36 -0.27 0.00 0.71 0.00 0.00 54.79 55.08 3g3e n ASP 127 Cb 0.94 -0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 41.90 3g3e n ASP 127 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3g3e s TYR 128 N -2.72 2.05 0.00 1.24 1.51 -0.63 -4.83 117.35 113.98 3g3e s TYR 128 Ca 0.20 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 3g3e s TYR 128 Cb 0.19 -1.16 0.00 0.00 -0.11 0.00 0.00 41.96 40.88 3g3e s TYR 128 CO 0.56 0.21 0.43 0.41 -1.11 0.00 0.00 175.55 176.06 3g3e n GLY 129 N 1.30 -1.12 3.35 0.71 0.00 -0.82 -4.85 105.19 103.75 3g3e n GLY 129 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 3g3e n GLY 129 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g3e s TYR 130 N -0.01 0.10 0.00 1.61 5.04 -0.73 -4.90 117.35 118.46 3g3e s TYR 130 Ca 0.00 -0.46 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 3g3e s TYR 130 Cb 0.00 0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.43 3g3e s TYR 130 CO 0.00 -0.73 0.00 0.41 -1.34 0.00 0.00 175.55 173.89 3g3e n GLY 131 N -0.22 -0.53 3.59 8.97 0.00 -1.26 -0.79 105.19 114.95 3g3e n GLY 131 Ca -0.11 -1.16 -0.25 0.00 0.00 0.00 0.00 46.02 44.49 3g3e n GLY 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3g3e s TRP 132 N -2.00 2.47 -0.01 1.61 0.51 0.27 0.25 118.94 122.05 3g3e s TRP 132 Ca 0.00 -0.48 0.02 0.00 -2.12 0.00 0.00 56.10 53.52 3g3e s TRP 132 Cb 0.00 -1.45 -0.01 0.00 -0.81 0.00 0.00 33.47 31.20 3g3e s TRP 132 CO 0.00 0.53 -0.07 0.12 -0.51 0.00 0.00 176.95 177.02 3g3e s PHE 133 N -2.58 0.64 0.32 -1.98 2.19 0.35 -2.04 117.98 114.88 3g3e s PHE 133 Ca 0.34 -0.12 -0.19 0.00 0.33 0.00 0.00 56.93 57.29 3g3e s PHE 133 Cb 0.02 -0.41 0.04 0.00 -1.31 0.00 0.00 43.02 41.36 3g3e s PHE 133 CO 0.18 -0.01 0.79 -3.38 1.83 0.00 0.00 175.22 174.63 3g3e s HIS 134 N -0.16 -0.02 -0.12 10.12 -3.43 -1.01 -1.16 115.29 119.52 3g3e s HIS 134 Ca 0.03 -0.53 -0.02 0.00 -0.80 0.00 0.00 55.06 53.73 3g3e s HIS 134 Cb -0.03 0.77 -0.03 0.00 -1.43 0.00 0.00 32.58 31.86 3g3e s HIS 134 CO -0.00 -1.35 -0.03 0.99 -2.00 0.00 0.00 174.74 172.35 3g3e s THR 135 N -2.99 4.01 0.00 -5.38 2.01 0.89 -1.88 115.64 112.30 3g3e s THR 135 Ca 0.14 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.80 3g3e s THR 135 Cb -0.05 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.74 3g3e s THR 135 CO 0.09 0.55 0.00 -0.24 -0.69 0.00 0.00 174.62 174.32 3g3e n SER 136 N 2.86 0.26 -4.00 3.53 2.88 -0.38 -1.55 113.62 117.22 3g3e n SER 136 Ca -0.18 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.20 3g3e n SER 136 Cb 0.53 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.85 3g3e n SER 136 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3g3e s LEU 137 N 0.00 2.07 -0.10 2.46 1.43 -1.26 -1.41 118.68 121.87 3g3e s LEU 137 Ca 0.00 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3g3e s LEU 137 Cb 0.00 -0.30 -0.01 0.00 0.03 0.00 0.00 46.19 45.91 3g3e s LEU 137 CO 0.00 0.01 -0.21 -0.63 0.23 0.00 0.00 176.35 175.75 3g3e s ILE 138 N -0.45 2.31 -0.29 -0.59 1.01 -0.46 -0.30 121.20 122.43 3g3e s ILE 138 Ca -0.00 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.74 3g3e s ILE 138 Cb -0.04 -1.90 0.07 0.00 0.01 0.00 0.00 42.46 40.60 3g3e s ILE 138 CO -0.00 0.55 -0.05 -0.22 0.00 0.00 0.00 174.94 175.23 3g3e s LEU 139 N 0.26 3.90 -0.28 2.97 2.96 0.36 -1.89 118.68 126.97 3g3e s LEU 139 Ca -0.15 -1.60 -0.29 0.00 -0.22 0.00 0.00 54.13 51.87 3g3e s LEU 139 Cb -0.17 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.93 3g3e s LEU 139 CO 0.07 -0.26 1.12 -1.61 -1.32 0.00 0.00 176.35 174.35 3g3e s GLU 140 N 1.07 4.11 0.18 1.98 2.02 -0.43 -4.27 118.70 123.37 3g3e s GLU 140 Ca -0.03 1.23 -0.17 0.00 0.02 0.00 0.00 54.97 56.02 3g3e s GLU 140 Cb -0.20 -3.73 0.14 0.00 0.10 0.00 0.00 34.13 30.43 3g3e s GLU 140 CO -0.05 -0.84 1.64 0.78 0.02 0.00 0.00 175.26 176.80 3g3e h GLY 141 N 10.00 0.22 0.27 -1.39 0.00 -1.77 0.17 103.07 110.57 3g3e h GLY 141 Ca -0.21 0.23 0.11 0.00 0.00 0.00 0.00 47.33 47.45 3g3e h GLY 141 CO 1.01 -0.20 0.20 1.70 0.00 0.00 0.00 176.54 179.25 3g3e h LYS 142 N -0.07 0.34 0.15 4.80 3.64 -1.82 0.74 116.57 124.34 3g3e h LYS 142 Ca 0.23 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3g3e h LYS 142 Cb 0.42 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3g3e h LYS 142 CO -0.52 0.23 -0.07 -0.91 -2.27 0.00 0.00 179.45 175.90 3g3e h ASN 143 N 0.35 -0.17 -0.77 4.20 2.35 -1.40 -3.06 115.58 117.09 3g3e h ASN 143 Ca 0.33 -0.37 0.18 0.00 -0.55 0.00 0.00 56.30 55.89 3g3e h ASN 143 Cb 0.45 0.04 -0.13 0.00 0.05 0.00 0.00 38.32 38.73 3g3e h ASN 143 CO -0.36 0.41 0.03 0.22 -1.65 0.00 0.00 177.43 176.08 3g3e h TYR 144 N -0.88 -0.00 -0.31 1.19 3.20 -0.25 0.14 116.97 120.06 3g3e h TYR 144 Ca -0.02 0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3g3e h TYR 144 Cb 0.53 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 3g3e h TYR 144 CO 0.09 -0.24 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.27 3g3e h LEU 145 N 0.12 0.46 -0.06 2.82 4.07 -0.93 0.49 115.31 122.28 3g3e h LEU 145 Ca 0.43 -0.09 -0.25 0.00 0.08 0.00 0.00 57.88 58.05 3g3e h LEU 145 Cb 0.78 -0.12 0.02 0.00 1.08 0.00 0.00 40.66 42.41 3g3e h LEU 145 CO -0.67 0.56 -0.96 -0.61 -1.08 0.00 0.00 178.44 175.67 3g3e h GLN 146 N 0.47 0.72 -0.12 1.13 4.15 -0.90 -0.92 115.11 119.64 3g3e h GLN 146 Ca 0.10 -0.71 -0.00 0.00 0.77 0.00 0.00 58.65 58.80 3g3e h GLN 146 Cb 0.36 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 3g3e h GLN 146 CO 0.01 1.30 0.07 2.35 -1.93 0.00 0.00 178.83 180.64 3g3e h TRP 147 N 0.43 0.16 -0.92 3.99 2.91 -0.09 -2.21 115.95 120.22 3g3e h TRP 147 Ca -0.11 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 59.91 3g3e h TRP 147 Cb 1.61 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 30.16 3g3e h TRP 147 CO 0.10 0.14 0.56 -0.07 -1.03 0.00 0.00 178.44 178.13 3g3e h LEU 148 N 0.13 1.10 -0.76 0.65 3.38 0.06 -1.59 115.31 118.28 3g3e h LEU 148 Ca 0.04 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3g3e h LEU 148 Cb 0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3g3e h LEU 148 CO -0.01 0.84 0.50 0.74 0.09 0.00 0.00 178.44 180.61 3g3e h THR 149 N 1.26 1.19 -0.49 0.22 2.02 -0.98 -1.62 112.91 114.52 3g3e h THR 149 Ca 0.33 -0.35 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 3g3e h THR 149 Cb -0.06 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 3g3e h THR 149 CO -0.06 0.19 -0.13 -0.33 0.37 0.00 0.00 175.52 175.55 3g3e h GLU 150 N 1.03 0.96 -0.10 6.66 5.08 -0.97 0.57 114.58 127.80 3g3e h GLU 150 Ca 0.28 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3g3e h GLU 150 Cb -0.12 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 3g3e h GLU 150 CO -0.06 1.04 0.05 0.00 -1.00 0.00 0.00 179.01 179.04 3g3e h ARG 151 N 0.81 0.14 -0.45 2.33 2.47 -1.15 -2.55 114.38 115.99 3g3e h ARG 151 Ca 0.12 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.80 3g3e h ARG 151 Cb 0.70 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.97 3g3e h ARG 151 CO 0.05 0.19 0.19 -0.07 0.56 0.00 0.00 179.97 180.89 3g3e h LEU 152 N 0.05 0.61 -1.30 3.04 4.07 -1.15 -2.65 115.31 117.98 3g3e h LEU 152 Ca 0.03 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 57.82 3g3e h LEU 152 Cb 0.09 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 3g3e h LEU 152 CO -0.01 0.60 0.27 0.74 -1.08 0.00 0.00 178.44 178.96 3g3e h THR 153 N 0.58 1.18 0.00 0.22 2.02 -0.83 -0.23 112.91 115.84 3g3e h THR 153 Ca 0.15 -0.48 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 3g3e h THR 153 Cb 0.17 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3g3e h THR 153 CO -0.01 0.20 -0.30 -0.33 0.37 0.00 0.00 175.52 175.45 3g3e h GLU 154 N 0.75 0.00 -0.50 6.66 5.08 -1.13 -2.50 114.58 122.94 3g3e h GLU 154 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3g3e h GLU 154 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3g3e h GLU 154 CO -0.03 0.30 0.00 0.54 -1.00 0.00 0.00 179.01 178.82 3g3e n ARG 155 N -3.66 2.23 -1.00 2.33 5.12 -0.20 -4.88 116.66 116.60 3g3e n ARG 155 Ca -0.01 -1.49 -0.00 0.00 -1.93 0.00 0.00 57.85 54.42 3g3e n ARG 155 Cb 0.42 -1.47 -0.00 0.00 -1.16 0.00 0.00 32.46 30.25 3g3e n ARG 155 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3g3e n GLY 156 N 0.91 0.47 3.65 -0.13 0.00 -0.94 -4.99 105.19 104.17 3g3e n GLY 156 Ca 0.14 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3g3e n GLY 156 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g3e s VAL 157 N -1.98 4.41 0.10 1.61 1.01 -0.59 -4.85 120.40 120.12 3g3e s VAL 157 Ca 0.00 1.68 -0.14 0.00 0.00 0.00 0.00 61.98 63.51 3g3e s VAL 157 Cb 0.00 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 3g3e s VAL 157 CO 0.00 -0.24 0.51 -0.54 0.00 0.00 0.00 175.10 174.83 3g3e s LYS 158 N 3.53 3.97 -0.03 2.72 -0.14 -1.13 -4.25 119.74 124.41 3g3e s LYS 158 Ca 0.51 0.46 0.07 0.00 -1.36 0.00 0.00 55.97 55.64 3g3e s LYS 158 Cb -0.18 -3.03 -0.02 0.00 -1.68 0.00 0.00 37.83 32.93 3g3e s LYS 158 CO 0.13 0.54 -0.23 -0.06 -0.76 0.00 0.00 175.35 174.98 3g3e s PHE 159 N -1.35 2.44 -0.01 3.18 0.40 -1.26 -0.04 117.98 121.34 3g3e s PHE 159 Ca 0.34 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.31 3g3e s PHE 159 Cb -0.16 -1.54 0.01 0.00 0.51 0.00 0.00 43.02 41.84 3g3e s PHE 159 CO 0.18 0.02 -0.04 -0.06 0.70 0.00 0.00 175.22 176.03 3g3e s PHE 160 N -0.63 0.42 -0.44 0.36 0.40 0.17 -4.94 117.98 113.32 3g3e s PHE 160 Ca 0.10 -0.07 -0.18 0.00 -0.60 0.00 0.00 56.93 56.18 3g3e s PHE 160 Cb -0.10 -0.33 0.03 0.00 0.51 0.00 0.00 43.02 43.13 3g3e s PHE 160 CO -0.00 -0.05 0.50 1.14 0.70 0.00 0.00 175.22 177.50 3g3e s GLN 161 N 0.24 3.12 -0.07 0.44 1.03 -1.26 -2.25 119.66 120.90 3g3e s GLN 161 Ca -0.02 -0.77 -0.28 0.00 0.04 0.00 0.00 55.36 54.33 3g3e s GLN 161 Cb -0.06 -4.00 0.06 0.00 0.03 0.00 0.00 33.01 29.05 3g3e s GLN 161 CO -0.00 -0.96 0.63 -0.98 -2.54 0.00 0.00 175.29 171.44 3g3e s ARG 162 N 2.29 0.97 -0.36 9.60 1.70 -0.44 -4.94 118.95 127.78 3g3e s ARG 162 Ca 0.14 0.29 -0.18 0.00 -0.47 0.00 0.00 55.73 55.51 3g3e s ARG 162 Cb -0.18 0.46 -0.00 0.00 -0.57 0.00 0.00 34.95 34.66 3g3e s ARG 162 CO 0.14 -0.28 0.48 0.21 -1.08 0.00 0.00 175.30 174.76 3g3e s LYS 163 N -1.01 3.54 -0.12 3.89 2.20 -1.26 -2.70 119.74 124.29 3g3e s LYS 163 Ca -0.10 -0.28 -0.29 0.00 -0.36 0.00 0.00 55.97 54.94 3g3e s LYS 163 Cb -0.01 -3.83 -0.01 0.00 -1.51 0.00 0.00 37.83 32.47 3g3e s LYS 163 CO 0.08 -0.66 0.98 0.08 -0.36 0.00 0.00 175.35 175.48 3g3e s VAL 164 N 2.31 4.79 -0.20 4.02 1.01 -1.26 -4.94 120.40 126.14 3g3e s VAL 164 Ca 0.17 1.99 0.19 0.00 0.00 0.00 0.00 61.98 64.33 3g3e s VAL 164 Cb -0.16 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 31.93 3g3e s VAL 164 CO 0.13 0.00 1.10 -0.33 0.00 0.00 0.00 175.10 176.00 3g3e h GLU 165 N 7.13 0.00 -2.04 2.72 4.39 -1.97 -3.48 114.58 121.33 3g3e h GLU 165 Ca -0.30 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.42 3g3e h GLU 165 Cb 1.14 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.61 3g3e h GLU 165 CO 0.86 0.21 0.38 -1.54 -1.16 0.00 0.00 179.01 177.76 3g3e s SER 166 N -5.84 -0.49 0.47 1.42 1.04 -1.26 -4.85 113.70 104.20 3g3e s SER 166 Ca 0.00 0.37 0.14 0.00 0.48 0.00 0.00 55.95 56.95 3g3e s SER 166 Cb 0.08 0.44 1.09 0.00 0.10 0.00 0.00 66.02 67.72 3g3e s SER 166 CO 0.78 -0.57 2.05 -0.26 0.98 0.00 0.00 173.24 176.22 3g3e h PHE 167 N 2.52 0.03 -0.39 5.02 0.04 -1.93 -2.80 116.94 119.42 3g3e h PHE 167 Ca -0.24 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.47 3g3e h PHE 167 Cb 1.19 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.32 3g3e h PHE 167 CO 0.31 0.13 -0.00 1.49 -0.60 0.00 0.00 178.31 179.63 3g3e h GLU 168 N 0.03 0.70 -0.24 1.51 4.81 -1.96 -0.83 114.58 118.60 3g3e h GLU 168 Ca 0.01 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 3g3e h GLU 168 Cb 0.19 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3g3e h GLU 168 CO 0.01 0.79 -0.01 1.05 -0.73 0.00 0.00 179.01 180.12 3g3e h GLU 169 N 0.52 0.36 -0.05 1.92 4.11 -1.89 0.17 114.58 119.72 3g3e h GLU 169 Ca 0.11 -0.07 -0.21 0.00 0.07 0.00 0.00 59.36 59.27 3g3e h GLU 169 Cb 0.48 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.69 3g3e h GLU 169 CO 0.02 0.40 -0.77 0.28 0.07 0.00 0.00 179.01 179.02 3g3e h VAL 170 N 0.35 1.33 -0.46 -1.06 2.07 -1.38 -2.84 116.25 114.26 3g3e h VAL 170 Ca 0.08 -2.06 -0.06 0.00 0.82 0.00 0.00 66.70 65.48 3g3e h VAL 170 Cb 0.26 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 3g3e h VAL 170 CO 0.01 0.63 0.04 0.00 0.02 0.00 0.00 177.57 178.26 3g3e h ALA 171 N 0.43 0.62 -0.00 1.67 0.00 -0.58 -2.00 119.26 119.40 3g3e h ALA 171 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3g3e h ALA 171 Cb 1.43 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3g3e h ALA 171 CO 0.15 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3g3e h ARG 172 N 0.65 0.00 -0.00 0.00 3.08 -0.69 0.14 114.38 117.56 3g3e h ARG 172 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3g3e h ARG 172 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3g3e h ARG 172 CO 0.02 0.00 -0.01 0.39 -1.07 0.00 0.00 179.97 179.30 3g3e n GLU 173 N -4.02 0.62 0.00 0.04 1.02 -0.76 -4.88 120.64 112.66 3g3e n GLU 173 Ca -0.03 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3g3e n GLU 173 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3g3e n GLU 173 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g3e n GLY 174 N 1.20 1.05 3.74 0.62 0.00 0.49 -5.08 105.19 107.21 3g3e n GLY 174 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3g3e n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3e s ALA 175 N -2.00 3.43 -0.10 4.61 0.00 -1.15 -4.78 121.76 121.77 3g3e s ALA 175 Ca 0.00 0.94 0.04 0.00 0.00 0.00 0.00 51.96 52.95 3g3e s ALA 175 Cb 0.00 -3.41 -0.24 0.00 0.00 0.00 0.00 23.12 19.47 3g3e s ALA 175 CO 0.00 -0.36 0.43 -0.25 0.00 0.00 0.00 175.76 175.58 3g3e n ASP 176 N 2.45 1.41 -3.90 0.00 10.43 0.47 -4.70 116.55 122.71 3g3e n ASP 176 Ca 0.04 0.26 -0.19 0.00 2.57 0.00 0.00 54.79 57.47 3g3e n ASP 176 Cb 0.45 -0.34 -0.16 0.00 1.84 0.00 0.00 41.12 42.91 3g3e n ASP 176 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3g3e s VAL 177 N -2.57 0.52 -0.22 2.53 1.01 -1.02 -3.07 120.40 117.58 3g3e s VAL 177 Ca -0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 3g3e s VAL 177 Cb 0.07 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 3g3e s VAL 177 CO 0.79 0.21 -0.01 -0.63 0.00 0.00 0.00 175.10 175.46 3g3e s ILE 178 N 0.77 3.73 -0.33 2.22 1.01 -0.04 -0.77 121.20 127.79 3g3e s ILE 178 Ca -0.10 -0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.05 3g3e s ILE 178 Cb -0.13 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 3g3e s ILE 178 CO 0.00 0.40 0.22 -0.69 0.00 0.00 0.00 174.94 174.88 3g3e s VAL 179 N 1.39 5.16 -0.54 2.92 1.01 0.30 -0.88 120.40 129.76 3g3e s VAL 179 Ca 0.05 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 3g3e s VAL 179 Cb -0.15 -3.63 0.09 0.00 0.00 0.00 0.00 36.38 32.70 3g3e s VAL 179 CO -0.00 0.03 0.58 0.21 0.00 0.00 0.00 175.10 175.92 3g3e s ASN 180 N 1.71 6.19 -0.41 3.32 3.04 0.10 -0.24 114.94 128.64 3g3e s ASN 180 Ca 0.06 -1.37 0.11 0.00 0.04 0.00 0.00 52.86 51.70 3g3e s ASN 180 Cb -0.17 -2.26 0.40 0.00 -1.54 0.00 0.00 41.25 37.69 3g3e s ASN 180 CO 0.10 -0.92 0.94 0.00 -3.04 0.00 0.00 177.10 174.19 3g3e n THR 182 N -0.13 0.12 -0.25 0.00 -2.24 -1.23 -4.14 114.28 106.41 3g3e n THR 182 Ca 0.25 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3g3e n THR 182 Cb 0.66 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 3g3e n THR 182 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g3e n GLY 183 N 1.30 3.47 0.13 3.38 0.00 -1.26 -2.01 105.19 110.19 3g3e n GLY 183 Ca 0.17 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.19 3g3e n GLY 183 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3g3e n VAL 184 N 0.00 0.92 -0.55 1.61 3.14 -1.26 -2.18 118.33 120.00 3g3e n VAL 184 Ca 0.00 0.35 0.10 0.00 -2.96 0.00 0.00 64.34 61.82 3g3e n VAL 184 Cb 0.00 -1.29 0.33 0.00 -1.06 0.00 0.00 33.84 31.82 3g3e n VAL 184 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 3g3e n TRP 185 N -2.17 1.26 0.14 1.45 8.01 -0.85 -4.51 117.44 120.76 3g3e n TRP 185 Ca 0.01 -0.59 0.01 0.00 -1.31 0.00 0.00 57.50 55.62 3g3e n TRP 185 Cb 0.18 -0.18 0.34 0.00 -2.01 0.00 0.00 31.31 29.64 3g3e n TRP 185 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3g3e h ALA 186 N 3.82 1.36 -0.56 6.99 0.00 -1.53 -2.55 119.26 126.79 3g3e h ALA 186 Ca 0.00 -0.31 0.16 0.00 0.00 0.00 0.00 54.91 54.77 3g3e h ALA 186 Cb 1.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3g3e h ALA 186 CO 0.16 0.45 0.44 0.78 0.00 0.00 0.00 179.25 181.08 3g3e h GLY 187 N 0.99 0.00 2.00 0.00 0.00 -1.79 0.15 103.07 104.42 3g3e h GLY 187 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3g3e h GLY 187 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.58 3g3e h ALA 188 N 1.65 1.00 0.00 3.60 0.00 -1.81 -2.98 119.26 120.72 3g3e h ALA 188 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 3g3e h ALA 188 Cb 1.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3g3e h ALA 188 CO -0.00 0.00 -1.95 1.28 0.00 0.00 0.00 179.25 178.57 3g3e n LEU 189 N -2.46 0.00 -3.25 0.00 4.77 0.50 -4.89 117.00 111.68 3g3e n LEU 189 Ca 0.01 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.03 3g3e n LEU 189 Cb 0.22 0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3g3e n LEU 189 CO 0.20 0.17 0.41 -1.58 -1.33 0.00 0.00 177.39 175.25 3g3e s GLN 190 N -2.91 0.38 0.26 3.23 0.74 -1.06 -4.70 119.66 115.60 3g3e s GLN 190 Ca -0.07 0.76 -0.31 0.00 0.05 0.00 0.00 55.36 55.79 3g3e s GLN 190 Cb 0.09 0.44 -0.13 0.00 1.10 0.00 0.00 33.01 34.51 3g3e s GLN 190 CO 0.72 -0.33 1.42 2.89 -0.55 0.00 0.00 175.29 179.44 3g3e n ARG 191 N 5.36 2.14 -3.42 1.67 1.85 -1.17 -4.17 116.66 118.92 3g3e n ARG 191 Ca -0.06 0.76 -0.24 0.00 -1.00 0.00 0.00 57.85 57.32 3g3e n ARG 191 Cb 0.52 -2.43 -0.10 0.00 -1.05 0.00 0.00 32.46 29.40 3g3e n ARG 191 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3g3e s ASP 192 N 0.27 2.21 0.28 2.89 -1.08 -1.26 -4.98 116.67 115.00 3g3e s ASP 192 Ca 0.66 -1.83 0.22 0.00 -0.52 0.00 0.00 52.55 51.09 3g3e s ASP 192 Cb -0.62 0.04 1.05 0.00 -1.46 0.00 0.00 42.92 41.93 3g3e s ASP 192 CO 0.51 -0.30 1.67 -0.81 0.52 0.00 0.00 175.17 176.75 3g3e n PRO 193 N 4.25 0.16 0.00 4.34 -0.04 -1.26 -1.52 135.00 140.93 3g3e n PRO 193 Ca 0.10 0.53 0.14 0.00 -0.04 0.00 0.00 63.50 64.23 3g3e n PRO 193 Cb 0.41 -1.91 0.53 0.00 -0.04 0.00 0.00 33.50 32.49 3g3e n PRO 193 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g3e n LEU 194 N -2.23 0.13 -4.72 1.53 4.77 -1.26 -4.74 117.00 110.47 3g3e n LEU 194 Ca 0.00 0.38 -0.35 0.00 -0.03 0.00 0.00 56.01 56.01 3g3e n LEU 194 Cb 0.12 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 40.70 3g3e n LEU 194 CO 0.14 0.03 -0.16 -0.22 -1.33 0.00 0.00 177.39 175.85 3g3e s LEU 195 N -3.01 4.21 0.17 2.23 2.96 -0.57 -4.15 118.68 120.51 3g3e s LEU 195 Ca 0.13 0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 54.20 3g3e s LEU 195 Cb 0.19 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 3g3e s LEU 195 CO 0.57 0.16 0.30 0.00 -1.32 0.00 0.00 176.35 176.06 3g3e s GLN 196 N 0.43 1.19 0.03 1.98 -2.07 0.28 -4.97 119.66 116.53 3g3e s GLN 196 Ca 0.09 -1.19 -0.23 0.00 -1.82 0.00 0.00 55.36 52.21 3g3e s GLN 196 Cb -0.11 0.38 -0.05 0.00 -1.09 0.00 0.00 33.01 32.14 3g3e s GLN 196 CO -0.01 -0.44 0.70 -1.25 -1.32 0.00 0.00 175.29 172.97 3g3e s PRO 197 N -3.98 4.43 -0.83 9.60 0.04 -1.26 -0.14 135.00 142.87 3g3e s PRO 197 Ca 0.18 0.94 -0.09 0.00 0.04 0.00 0.00 61.00 62.08 3g3e s PRO 197 Cb 0.03 -3.35 0.21 0.00 0.04 0.00 0.00 34.50 31.43 3g3e s PRO 197 CO 0.01 0.32 0.74 0.20 0.04 0.00 0.00 177.00 178.31 3g3e s GLY 198 N -0.12 2.77 0.26 0.56 0.00 0.12 -1.13 107.32 109.79 3g3e s GLY 198 Ca 0.36 -3.46 -0.31 0.00 0.00 0.00 0.00 44.72 41.31 3g3e s GLY 198 CO 0.21 1.22 1.66 -1.60 0.00 0.00 0.00 173.10 174.59 3g3e s ARG 199 N -0.33 4.11 0.11 2.90 3.52 -0.81 -1.43 118.95 127.02 3g3e s ARG 199 Ca 0.21 2.61 0.05 0.00 -0.13 0.00 0.00 55.73 58.48 3g3e s ARG 199 Cb -0.12 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 3g3e s ARG 199 CO -0.08 -0.70 -0.14 0.20 -0.81 0.00 0.00 175.30 173.78 3g3e s GLY 200 N 0.81 1.02 0.03 8.12 0.00 0.11 -1.28 107.32 116.13 3g3e s GLY 200 Ca 0.69 -1.24 0.03 0.00 0.00 0.00 0.00 44.72 44.20 3g3e s GLY 200 CO 0.41 -1.29 -0.09 1.62 0.00 0.00 0.00 173.10 173.74 3g3e s GLN 201 N -2.56 0.65 0.04 2.90 0.74 -1.26 -0.24 119.66 119.94 3g3e s GLN 201 Ca 0.07 -0.61 -0.02 0.00 0.05 0.00 0.00 55.36 54.86 3g3e s GLN 201 Cb -0.05 -0.57 -0.03 0.00 1.10 0.00 0.00 33.01 33.46 3g3e s GLN 201 CO 0.02 0.14 -0.00 0.96 -0.55 0.00 0.00 175.29 175.86 3g3e s ILE 202 N -0.85 0.16 0.03 -2.34 -5.25 0.06 -4.31 121.20 108.70 3g3e s ILE 202 Ca -0.02 -1.36 0.03 0.00 -0.99 0.00 0.00 60.65 58.31 3g3e s ILE 202 Cb -0.07 -0.97 -0.04 0.00 2.95 0.00 0.00 42.46 44.33 3g3e s ILE 202 CO 0.01 -0.75 -0.03 -0.04 -1.79 0.00 0.00 174.94 172.33 3g3e s MET 203 N -2.84 2.60 -0.17 0.37 -1.94 0.16 -1.62 119.30 115.87 3g3e s MET 203 Ca -0.03 -0.73 -0.02 0.00 -1.71 0.00 0.00 55.69 53.19 3g3e s MET 203 Cb 0.00 -2.55 -0.02 0.00 2.01 0.00 0.00 34.83 34.27 3g3e s MET 203 CO -0.06 0.59 -0.08 0.15 -0.01 0.00 0.00 175.02 175.61 3g3e s LYS 204 N -1.72 3.45 0.08 2.03 1.02 0.11 0.38 119.74 125.08 3g3e s LYS 204 Ca 0.20 -0.63 0.05 0.00 0.02 0.00 0.00 55.97 55.62 3g3e s LYS 204 Cb -0.11 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.34 3g3e s LYS 204 CO 0.11 0.08 -0.15 0.54 -0.92 0.00 0.00 175.35 175.02 3g3e s VAL 205 N 0.73 1.17 -0.59 3.17 0.11 0.61 0.41 120.40 126.00 3g3e s VAL 205 Ca -0.04 -1.35 -0.21 0.00 -2.93 0.00 0.00 61.98 57.46 3g3e s VAL 205 Cb -0.15 -1.13 0.08 0.00 -1.53 0.00 0.00 36.38 33.65 3g3e s VAL 205 CO 0.02 -0.23 0.79 -0.62 -3.33 0.00 0.00 175.10 171.74 3g3e s ASP 206 N -1.79 6.20 -0.39 3.54 2.15 0.11 -0.72 116.67 125.77 3g3e s ASP 206 Ca -0.01 -1.09 0.11 0.00 0.43 0.00 0.00 52.55 51.99 3g3e s ASP 206 Cb -0.10 -2.35 0.36 0.00 -0.30 0.00 0.00 42.92 40.53 3g3e s ASP 206 CO 0.02 -1.19 0.87 0.00 -0.17 0.00 0.00 175.17 174.70 3g3e n ALA 207 N 6.84 1.52 0.68 3.66 0.00 -1.26 -3.65 120.51 128.30 3g3e n ALA 207 Ca -0.06 -2.86 0.06 0.00 0.00 0.00 0.00 53.44 50.58 3g3e n ALA 207 Cb 0.44 -0.98 0.34 0.00 0.00 0.00 0.00 19.45 19.25 3g3e n ALA 207 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3g3e n PRO 208 N 0.22 0.28 0.00 0.00 -0.04 -1.26 -0.51 135.00 133.69 3g3e n PRO 208 Ca 0.18 0.09 0.14 0.00 -0.04 0.00 0.00 63.50 63.87 3g3e n PRO 208 Cb 0.69 -1.50 0.57 0.00 -0.04 0.00 0.00 33.50 33.23 3g3e n PRO 208 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3g3e n TRP 209 N -1.16 0.00 -3.04 0.54 2.14 -1.26 -4.77 117.44 109.90 3g3e n TRP 209 Ca 0.08 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.22 3g3e n TRP 209 Cb 0.07 -0.21 -0.06 0.00 -0.81 0.00 0.00 31.31 30.31 3g3e n TRP 209 CO 0.00 0.00 0.00 -1.64 2.07 0.00 0.00 177.69 178.12 3g3e s MET 210 N -2.55 3.45 0.00 -2.67 -1.94 0.33 -4.89 119.30 111.02 3g3e s MET 210 Ca 0.26 -0.12 0.08 0.00 -1.71 0.00 0.00 55.69 54.20 3g3e s MET 210 Cb 0.20 -3.91 -0.04 0.00 2.01 0.00 0.00 34.83 33.09 3g3e s MET 210 CO 0.50 -0.99 0.47 1.63 -0.01 0.00 0.00 175.02 176.62 3g3e n LYS 211 N 6.42 3.13 -4.52 2.03 4.76 -1.26 -4.76 118.16 123.97 3g3e n LYS 211 Ca 0.00 -0.31 -0.25 0.00 -2.87 0.00 0.00 58.31 54.88 3g3e n LYS 211 Cb 0.48 -0.97 -0.10 0.00 -1.84 0.00 0.00 35.03 32.60 3g3e n LYS 211 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3g3e s HIS 212 N -1.45 2.36 0.14 2.13 3.76 -1.26 -4.56 115.29 116.40 3g3e s HIS 212 Ca 0.05 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 3g3e s HIS 212 Cb 0.06 -1.25 -0.04 0.00 1.11 0.00 0.00 32.58 32.46 3g3e s HIS 212 CO 0.26 0.62 0.31 -0.59 -0.85 0.00 0.00 174.74 174.50 3g3e s PHE 213 N -2.59 3.49 -0.16 1.40 -0.12 -0.90 -4.34 117.98 114.76 3g3e s PHE 213 Ca 0.32 0.27 -0.03 0.00 -0.05 0.00 0.00 56.93 57.44 3g3e s PHE 213 Cb 0.00 -1.79 0.05 0.00 -0.63 0.00 0.00 43.02 40.65 3g3e s PHE 213 CO 0.16 0.48 0.03 0.42 -0.05 0.00 0.00 175.22 176.26 3g3e s ILE 214 N -1.72 0.38 -0.18 -4.49 1.01 -0.34 0.03 121.20 115.90 3g3e s ILE 214 Ca 0.37 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 3g3e s ILE 214 Cb -0.12 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 3g3e s ILE 214 CO 0.28 -0.09 -0.04 -0.76 0.00 0.00 0.00 174.94 174.33 3g3e s LEU 215 N 1.93 3.08 0.09 2.97 1.43 0.91 -2.18 118.68 126.91 3g3e s LEU 215 Ca 0.01 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3g3e s LEU 215 Cb -0.16 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 3g3e s LEU 215 CO -0.07 0.09 0.22 0.42 0.23 0.00 0.00 176.35 177.24 3g3e s THR 216 N 0.81 5.29 -0.09 5.49 -4.23 -1.05 -0.76 115.64 121.11 3g3e s THR 216 Ca -0.01 -0.52 0.01 0.00 -1.18 0.00 0.00 61.69 59.99 3g3e s THR 216 Cb -0.15 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.09 3g3e s THR 216 CO 0.02 0.07 -0.09 -1.00 -0.54 0.00 0.00 174.62 173.07 3g3e s HIS 217 N -1.57 1.41 -0.20 3.99 0.09 0.22 -4.72 115.29 114.51 3g3e s HIS 217 Ca 0.34 -0.61 -0.03 0.00 -0.00 0.00 0.00 55.06 54.76 3g3e s HIS 217 Cb -0.12 -1.12 0.07 0.00 -0.00 0.00 0.00 32.58 31.40 3g3e s HIS 217 CO 0.28 -0.39 0.06 0.34 -0.00 0.00 0.00 174.74 175.02 3g3e s ASP 218 N 1.22 2.90 0.42 1.40 -1.08 -1.26 -4.28 116.67 115.98 3g3e s ASP 218 Ca -0.04 -0.86 0.12 0.00 -0.52 0.00 0.00 52.55 51.25 3g3e s ASP 218 Cb -0.14 -0.52 0.96 0.00 -1.46 0.00 0.00 42.92 41.77 3g3e s ASP 218 CO -0.03 -0.33 1.98 1.55 0.52 0.00 0.00 175.17 178.86 3g3e h PRO 219 N 8.28 0.47 -0.80 4.34 0.13 -1.99 0.31 132.00 142.75 3g3e h PRO 219 Ca -0.16 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.90 3g3e h PRO 219 Cb 1.11 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.10 3g3e h PRO 219 CO 0.34 0.31 0.33 0.93 -0.23 0.00 0.00 178.00 179.68 3g3e h GLU 220 N 0.48 1.19 0.07 0.86 4.39 -2.02 -3.26 114.58 116.29 3g3e h GLU 220 Ca 0.28 -0.21 -0.36 0.00 0.34 0.00 0.00 59.36 59.41 3g3e h GLU 220 Cb 0.47 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 3g3e h GLU 220 CO -0.08 0.96 -2.06 0.54 -1.16 0.00 0.00 179.01 177.20 3g3e n ARG 221 N -4.29 0.71 0.00 2.33 5.12 -0.80 -5.09 116.66 114.64 3g3e n ARG 221 Ca 0.07 0.23 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 3g3e n ARG 221 Cb 0.18 -1.68 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 3g3e n ARG 221 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3g3e n GLY 222 N 1.95 -0.06 3.44 -0.13 0.00 0.10 -4.71 105.19 105.77 3g3e n GLY 222 Ca -0.32 -1.82 -0.48 0.00 0.00 0.00 0.00 46.02 43.40 3g3e n GLY 222 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3g3e n ILE 223 N 0.02 1.87 -0.80 -0.61 0.13 -1.26 -1.38 119.36 117.33 3g3e n ILE 223 Ca 0.00 -0.47 0.00 0.00 -1.10 0.00 0.00 62.75 61.18 3g3e n ILE 223 Cb 0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 39.64 38.60 3g3e n ILE 223 CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 3g3e n TYR 224 N 0.16 0.00 -0.73 9.51 0.53 -1.26 -4.75 117.16 120.62 3g3e n TYR 224 Ca 0.17 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 57.12 3g3e n TYR 224 Cb 0.25 -1.70 0.15 0.00 -1.03 0.00 0.00 39.34 37.01 3g3e n TYR 224 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 3g3e n ASN 225 N -0.21 2.79 -4.26 7.72 5.15 -0.48 -2.43 115.26 123.55 3g3e n ASN 225 Ca 0.00 -2.73 -0.14 0.00 -0.60 0.00 0.00 54.58 51.11 3g3e n ASN 225 Cb 0.40 -0.36 -0.10 0.00 -0.53 0.00 0.00 39.78 39.19 3g3e n ASN 225 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3g3e s SER 226 N -2.02 1.52 0.14 1.20 1.04 -1.25 -4.70 113.70 109.63 3g3e s SER 226 Ca 0.28 -1.13 -0.34 0.00 0.48 0.00 0.00 55.95 55.24 3g3e s SER 226 Cb 0.22 0.05 -0.14 0.00 0.10 0.00 0.00 66.02 66.26 3g3e s SER 226 CO 0.06 -0.48 1.58 -2.65 0.98 0.00 0.00 173.24 172.72 3g3e n PRO 227 N -0.26 2.09 -4.18 4.02 -0.02 -1.26 -4.13 135.00 131.25 3g3e n PRO 227 Ca -0.08 0.75 -0.14 0.00 -2.02 0.00 0.00 63.50 62.02 3g3e n PRO 227 Cb 0.62 -2.52 -0.11 0.00 -0.02 0.00 0.00 33.50 31.48 3g3e n PRO 227 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3g3e s TYR 228 N 1.04 1.08 -0.04 6.00 -0.85 -0.74 -2.52 117.35 121.33 3g3e s TYR 228 Ca 0.80 -0.68 -0.01 0.00 -0.52 0.00 0.00 57.07 56.66 3g3e s TYR 228 Cb -0.70 -0.59 0.03 0.00 0.38 0.00 0.00 41.96 41.09 3g3e s TYR 228 CO 0.39 0.00 0.06 0.42 -1.52 0.00 0.00 175.55 174.90 3g3e s ILE 229 N -2.59 -0.10 -0.30 -3.49 1.01 -0.93 -2.26 121.20 112.55 3g3e s ILE 229 Ca 0.07 0.36 -0.02 0.00 0.00 0.00 0.00 60.65 61.06 3g3e s ILE 229 Cb -0.02 -0.13 0.10 0.00 0.01 0.00 0.00 42.46 42.41 3g3e s ILE 229 CO -0.00 0.15 0.11 -0.63 0.00 0.00 0.00 174.94 174.57 3g3e s ILE 230 N 1.82 0.51 0.26 2.92 1.01 -0.33 -1.19 121.20 126.20 3g3e s ILE 230 Ca 0.00 -1.12 -0.31 0.00 0.00 0.00 0.00 60.65 59.23 3g3e s ILE 230 Cb -0.12 -1.38 -0.12 0.00 0.01 0.00 0.00 42.46 40.85 3g3e s ILE 230 CO -0.03 -0.67 1.61 -2.65 0.00 0.00 0.00 174.94 173.19 3g3e n PRO 231 N 5.01 2.62 -0.66 2.79 -0.02 -1.26 -1.58 135.00 141.90 3g3e n PRO 231 Ca -0.04 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3g3e n PRO 231 Cb 0.42 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3g3e n PRO 231 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g3e n GLY 232 N 2.64 4.93 0.19 -1.23 0.00 0.43 -4.92 105.19 107.23 3g3e n GLY 232 Ca 0.11 -2.09 -0.16 0.00 0.00 0.00 0.00 46.02 43.88 3g3e n GLY 232 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3g3e h THR 233 N 0.26 1.33 -0.01 2.61 1.35 -1.96 -3.36 112.91 113.13 3g3e h THR 233 Ca 0.00 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 3g3e h THR 233 Cb 0.00 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3g3e h THR 233 CO 0.00 0.56 -0.14 0.00 -0.25 0.00 0.00 175.52 175.69 3g3e n GLN 234 N -4.15 1.63 -3.62 4.72 1.13 -1.26 -5.05 117.38 110.78 3g3e n GLN 234 Ca -0.07 -0.72 -0.04 0.00 -1.94 0.00 0.00 57.00 54.23 3g3e n GLN 234 Cb 0.62 -1.09 -0.03 0.00 0.11 0.00 0.00 30.24 29.84 3g3e n GLN 234 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3g3e s THR 235 N -1.16 0.00 -0.17 5.09 2.01 -1.26 -4.92 115.64 115.24 3g3e s THR 235 Ca 0.09 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.00 3g3e s THR 235 Cb 0.08 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 3g3e s THR 235 CO 0.20 0.00 0.13 -0.69 -0.69 0.00 0.00 174.62 173.57 3g3e s VAL 236 N -1.55 5.37 -0.22 3.82 1.01 0.10 -0.43 120.40 128.51 3g3e s VAL 236 Ca 0.08 0.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.07 3g3e s VAL 236 Cb -0.01 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3g3e s VAL 236 CO -0.05 0.51 0.44 -0.89 0.00 0.00 0.00 175.10 175.11 3g3e s THR 237 N -0.16 5.16 -0.21 3.92 2.01 -0.62 -0.29 115.64 125.45 3g3e s THR 237 Ca 0.10 0.77 -0.06 0.00 0.31 0.00 0.00 61.69 62.82 3g3e s THR 237 Cb -0.11 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 3g3e s THR 237 CO 0.00 0.20 0.02 -0.76 -0.69 0.00 0.00 174.62 173.39 3g3e s LEU 238 N 1.60 3.30 0.00 4.42 1.02 0.16 -1.18 118.68 128.00 3g3e s LEU 238 Ca 0.20 -0.21 0.00 0.00 0.02 0.00 0.00 54.13 54.14 3g3e s LEU 238 Cb -0.15 -1.85 0.00 0.00 0.02 0.00 0.00 46.19 44.21 3g3e s LEU 238 CO 0.09 0.03 0.00 0.61 0.02 0.00 0.00 176.35 177.10 3g3e n GLY 239 N 4.45 3.60 0.00 -3.19 0.00 -0.96 0.40 105.19 109.48 3g3e n GLY 239 Ca -0.17 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3g3e n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3e n GLY 240 N 0.00 0.23 2.92 -0.02 0.00 -1.26 -1.79 105.19 105.27 3g3e n GLY 240 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3g3e n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g3e s ILE 241 N -0.35 0.83 -0.11 -0.61 -1.09 -1.02 -3.94 121.20 114.91 3g3e s ILE 241 Ca 0.00 -0.25 -0.04 0.00 -2.23 0.00 0.00 60.65 58.14 3g3e s ILE 241 Cb 0.00 -0.83 0.05 0.00 -1.58 0.00 0.00 42.46 40.10 3g3e s ILE 241 CO 0.00 0.31 0.08 0.12 -1.23 0.00 0.00 174.94 174.21 3g3e s PHE 242 N 1.15 0.12 -0.37 3.97 2.19 -1.21 -4.23 117.98 119.60 3g3e s PHE 242 Ca -0.07 -0.02 0.01 0.00 0.33 0.00 0.00 56.93 57.19 3g3e s PHE 242 Cb -0.14 -0.58 0.11 0.00 -1.31 0.00 0.00 43.02 41.10 3g3e s PHE 242 CO -0.01 -0.36 0.14 -0.65 1.83 0.00 0.00 175.22 176.17 3g3e s GLN 243 N 2.16 1.09 0.16 10.12 -0.21 -0.40 -4.90 119.66 127.67 3g3e s GLN 243 Ca 0.04 -1.59 -0.31 0.00 0.02 0.00 0.00 55.36 53.52 3g3e s GLN 243 Cb -0.14 -2.38 -0.09 0.00 1.00 0.00 0.00 33.01 31.40 3g3e s GLN 243 CO -0.06 -1.04 1.39 -1.17 -2.12 0.00 0.00 175.29 172.29 3g3e s LEU 244 N 1.00 4.39 0.00 2.90 2.96 -1.26 -1.93 118.68 126.74 3g3e s LEU 244 Ca 0.13 2.41 0.00 0.00 -0.22 0.00 0.00 54.13 56.45 3g3e s LEU 244 Cb -0.20 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.89 3g3e s LEU 244 CO -0.13 -0.64 0.00 0.61 -1.32 0.00 0.00 176.35 174.88 3g3e n GLY 245 N 3.02 1.36 3.62 7.98 0.00 -0.28 -4.97 105.19 115.91 3g3e n GLY 245 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3g3e n GLY 245 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g3e s ASN 246 N -3.19 6.73 -0.23 1.61 3.84 -1.08 -4.91 114.94 117.72 3g3e s ASN 246 Ca 0.00 0.73 0.15 0.00 0.21 0.00 0.00 52.86 53.94 3g3e s ASN 246 Cb 0.00 -2.45 0.76 0.00 -0.55 0.00 0.00 41.25 39.01 3g3e s ASN 246 CO 0.00 -0.74 1.68 0.79 -2.79 0.00 0.00 177.10 176.05 3g3e n TRP 247 N 6.49 1.85 -2.86 0.43 7.02 -1.26 -4.40 117.44 124.71 3g3e n TRP 247 Ca 0.06 -0.78 -0.43 0.00 -1.02 0.00 0.00 57.50 55.34 3g3e n TRP 247 Cb 0.48 -0.48 -0.04 0.00 -2.42 0.00 0.00 31.31 28.85 3g3e n TRP 247 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3g3e s SER 248 N -1.06 6.40 -1.24 -0.99 0.15 -1.26 -4.94 113.70 110.75 3g3e s SER 248 Ca 0.52 -0.18 -0.08 0.00 0.70 0.00 0.00 55.95 56.90 3g3e s SER 248 Cb 0.40 -2.43 0.20 0.00 -1.71 0.00 0.00 66.02 62.48 3g3e s SER 248 CO 0.14 -1.12 1.80 1.21 1.20 0.00 0.00 173.24 176.47 3g3e n GLU 249 N 7.23 3.81 -3.69 5.44 2.13 -1.26 -4.85 120.64 129.45 3g3e n GLU 249 Ca 0.03 -3.74 -0.10 0.00 0.66 0.00 0.00 57.16 54.01 3g3e n GLU 249 Cb 0.48 -2.84 -0.10 0.00 0.27 0.00 0.00 31.44 29.25 3g3e n GLU 249 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3g3e s LEU 250 N -0.71 -0.22 0.15 4.31 2.96 -1.26 -5.03 118.68 118.88 3g3e s LEU 250 Ca 0.38 1.04 -0.31 0.00 -0.22 0.00 0.00 54.13 55.01 3g3e s LEU 250 Cb 0.09 1.63 -0.09 0.00 0.50 0.00 0.00 46.19 48.32 3g3e s LEU 250 CO 0.03 -0.20 1.52 0.20 -1.32 0.00 0.00 176.35 176.58 3g3e s ASN 251 N 1.20 6.66 -0.21 3.68 0.01 -1.26 -4.92 114.94 120.09 3g3e s ASN 251 Ca -0.08 2.52 -0.08 0.00 -0.71 0.00 0.00 52.86 54.52 3g3e s ASN 251 Cb -0.07 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.96 3g3e s ASN 251 CO -0.11 -0.78 0.08 0.21 -1.51 0.00 0.00 177.10 175.00 3g3e s ASN 252 N 1.18 5.57 0.19 -1.22 2.47 -1.26 -5.03 114.94 116.83 3g3e s ASN 252 Ca 0.69 -0.00 -0.15 0.00 0.42 0.00 0.00 52.86 53.81 3g3e s ASN 252 Cb -0.42 -1.98 0.18 0.00 -1.45 0.00 0.00 41.25 37.58 3g3e s ASN 252 CO 0.31 0.09 1.65 0.40 -3.72 0.00 0.00 177.10 175.83 3g3e h ILE 253 N 5.12 0.50 -0.59 -5.21 1.08 -1.99 0.14 117.51 116.56 3g3e h ILE 253 Ca -0.37 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 64.13 3g3e h ILE 253 Cb 1.17 0.48 -0.04 0.00 -3.07 0.00 0.00 36.82 35.36 3g3e h ILE 253 CO 0.65 0.00 0.35 1.56 -0.69 0.00 0.00 178.15 180.02 3g3e h GLN 254 N 0.02 0.66 -0.37 2.37 1.08 -1.99 -1.50 115.11 115.37 3g3e h GLN 254 Ca 0.25 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.29 3g3e h GLN 254 Cb 0.39 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 3g3e h GLN 254 CO -0.52 0.44 -0.28 -0.44 -0.95 0.00 0.00 178.83 177.09 3g3e h ASP 255 N 0.68 0.81 -0.48 1.46 3.32 -1.81 0.30 116.42 120.71 3g3e h ASP 255 Ca 0.24 -0.32 0.09 0.00 0.02 0.00 0.00 57.03 57.07 3g3e h ASP 255 Cb 0.06 -0.22 -0.08 0.00 0.22 0.00 0.00 39.33 39.31 3g3e h ASP 255 CO -0.12 1.04 -0.02 -0.74 -1.72 0.00 0.00 179.24 177.68 3g3e h HIS 256 N 0.67 -0.06 -0.48 4.55 -0.00 -0.57 -0.67 115.15 118.59 3g3e h HIS 256 Ca 0.08 0.04 -0.07 0.00 -0.00 0.00 0.00 60.37 60.42 3g3e h HIS 256 Cb 0.80 0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 28.30 3g3e h HIS 256 CO 0.04 -0.12 0.02 -0.91 -0.00 0.00 0.00 177.93 176.96 3g3e h ASN 257 N 0.09 0.80 -0.25 3.26 2.35 -0.75 -0.12 115.58 120.97 3g3e h ASN 257 Ca 0.24 -0.29 0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3g3e h ASN 257 Cb 0.36 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 3g3e h ASN 257 CO -0.41 0.90 0.02 0.74 -1.65 0.00 0.00 177.43 177.03 3g3e h THR 258 N 0.68 0.85 -0.05 2.81 2.02 -0.32 0.35 112.91 119.25 3g3e h THR 258 Ca 0.14 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 3g3e h THR 258 Cb 0.47 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3g3e h THR 258 CO 0.02 0.02 0.02 0.40 0.37 0.00 0.00 175.52 176.35 3g3e h ILE 259 N 0.11 1.15 -0.30 3.11 2.04 -1.03 -1.12 117.51 121.47 3g3e h ILE 259 Ca 0.12 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.53 3g3e h ILE 259 Cb 0.13 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3g3e h ILE 259 CO -0.17 0.13 0.18 -0.25 0.00 0.00 0.00 178.15 178.03 3g3e h TRP 260 N -0.10 0.33 0.00 1.37 2.91 -0.79 -1.56 115.95 118.12 3g3e h TRP 260 Ca 0.02 0.01 -0.14 0.00 1.13 0.00 0.00 58.89 59.91 3g3e h TRP 260 Cb 0.19 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.71 3g3e h TRP 260 CO -0.01 0.20 -0.65 0.93 -1.03 0.00 0.00 178.44 177.88 3g3e h GLU 261 N 0.36 0.00 -0.12 2.65 5.08 -0.86 -1.37 114.58 120.32 3g3e h GLU 261 Ca 0.12 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.27 3g3e h GLU 261 Cb -0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3g3e h GLU 261 CO -0.06 0.65 -0.78 0.78 -1.00 0.00 0.00 179.01 178.59 3g3e h GLY 262 N 3.19 0.73 1.46 -3.84 0.00 -1.11 -2.82 103.07 100.67 3g3e h GLY 262 Ca -0.01 -1.05 -0.25 0.00 0.00 0.00 0.00 47.33 46.02 3g3e h GLY 262 CO 0.08 0.93 -1.06 0.00 0.00 0.00 0.00 176.54 176.49 3g3e h ARG 265 N 0.00 0.41 -0.62 0.00 2.43 -1.22 -2.21 114.38 113.17 3g3e h ARG 265 Ca -0.00 -0.35 0.02 0.00 -0.81 0.00 0.00 59.98 58.84 3g3e h ARG 265 Cb 0.50 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 3g3e h ARG 265 CO 0.03 0.99 0.39 1.25 -1.51 0.00 0.00 179.97 181.13 3g3e h LEU 266 N -0.07 0.65 -6.56 3.80 6.46 -0.27 -3.38 115.31 115.94 3g3e h LEU 266 Ca -0.03 -0.00 -0.47 0.00 -0.12 0.00 0.00 57.88 57.25 3g3e h LEU 266 Cb 1.09 -0.15 -0.36 0.00 -0.73 0.00 0.00 40.66 40.51 3g3e h LEU 266 CO 0.09 0.46 -0.75 -0.70 -0.62 0.00 0.00 178.44 176.91 3g3e s GLU 267 N -6.13 0.44 0.62 1.25 2.56 0.11 -4.94 118.70 112.61 3g3e s GLU 267 Ca -0.13 -0.80 0.27 0.00 0.00 0.00 0.00 54.97 54.31 3g3e s GLU 267 Cb 0.14 -1.00 1.42 0.00 2.00 0.00 0.00 34.13 36.69 3g3e s GLU 267 CO 0.76 -1.13 1.82 -1.35 -0.56 0.00 0.00 175.26 174.80 3g3e h PRO 268 N 7.58 0.00 0.00 4.30 0.11 -1.59 -0.61 132.00 141.80 3g3e h PRO 268 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3g3e h PRO 268 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3g3e h PRO 268 CO 0.30 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.88 3g3e h THR 269 N 0.00 0.00 0.00 -1.15 1.35 -1.93 -2.36 112.91 108.82 3g3e h THR 269 Ca 0.14 -0.25 -0.03 0.00 -0.55 0.00 0.00 66.41 65.73 3g3e h THR 269 Cb 1.13 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3g3e h THR 269 CO -0.00 0.00 -0.13 -0.07 -0.25 0.00 0.00 175.52 175.07 3g3e h LEU 270 N 0.00 0.00 -1.39 3.87 4.07 -1.43 -3.28 115.31 117.15 3g3e h LEU 270 Ca 0.00 0.00 0.24 0.00 0.08 0.00 0.00 57.88 58.20 3g3e h LEU 270 Cb 0.25 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 41.90 3g3e h LEU 270 CO 0.00 0.13 0.65 0.11 -1.08 0.00 0.00 178.44 178.24 3g3e h LYS 271 N 0.00 0.41 -0.51 1.13 1.57 -1.64 0.50 116.57 118.02 3g3e h LYS 271 Ca -0.00 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 3g3e h LYS 271 Cb 0.40 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.56 3g3e h LYS 271 CO 0.02 0.27 0.10 0.09 -0.57 0.00 0.00 179.45 179.36 3g3e n ASN 272 N -4.59 4.37 -4.71 0.86 3.02 -1.24 -4.94 115.26 108.04 3g3e n ASN 272 Ca 0.23 -3.19 -0.42 0.00 -0.03 0.00 0.00 54.58 51.18 3g3e n ASN 272 Cb 0.80 -0.66 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 3g3e n ASN 272 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g3e s ALA 273 N -2.95 3.23 0.16 5.41 0.00 0.17 -5.01 121.76 122.78 3g3e s ALA 273 Ca 0.50 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 3g3e s ALA 273 Cb 0.40 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 20.18 3g3e s ALA 273 CO 0.11 -0.26 1.21 0.50 0.00 0.00 0.00 175.76 177.31 3g3e s ARG 274 N 1.12 4.47 -0.13 0.00 3.52 -1.24 -4.75 118.95 121.94 3g3e s ARG 274 Ca 0.48 1.87 -0.24 0.00 -0.13 0.00 0.00 55.73 57.71 3g3e s ARG 274 Cb -0.20 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 3g3e s ARG 274 CO 0.24 -0.14 0.75 0.42 -0.81 0.00 0.00 175.30 175.76 3g3e s ILE 275 N 0.21 4.97 -0.21 4.11 1.01 -1.26 0.05 121.20 130.08 3g3e s ILE 275 Ca 0.55 1.49 0.04 0.00 0.00 0.00 0.00 60.65 62.72 3g3e s ILE 275 Cb -0.32 -4.07 -0.15 0.00 0.01 0.00 0.00 42.46 37.92 3g3e s ILE 275 CO 0.35 0.13 -0.16 -0.38 0.00 0.00 0.00 174.94 174.88 3g3e n ILE 276 N 4.33 1.26 -3.80 2.92 5.41 0.17 -4.94 119.36 124.71 3g3e n ILE 276 Ca 0.01 -0.52 -0.01 0.00 1.00 0.00 0.00 62.75 63.23 3g3e n ILE 276 Cb 0.50 -1.18 0.00 0.00 -0.71 0.00 0.00 39.64 38.25 3g3e n ILE 276 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3g3e s GLY 277 N -6.01 -0.15 -0.19 7.39 0.00 -0.85 -4.99 107.32 102.52 3g3e s GLY 277 Ca -0.27 0.11 -0.13 0.00 0.00 0.00 0.00 44.72 44.44 3g3e s GLY 277 CO 0.54 1.69 0.47 -0.54 0.00 0.00 0.00 173.10 175.26 3g3e s GLU 278 N -2.50 0.49 -0.03 2.90 2.02 -1.26 0.04 118.70 120.36 3g3e s GLU 278 Ca 0.18 0.80 -0.13 0.00 0.02 0.00 0.00 54.97 55.84 3g3e s GLU 278 Cb 0.00 0.10 0.02 0.00 0.10 0.00 0.00 34.13 34.36 3g3e s GLU 278 CO 0.01 -0.12 0.29 1.03 0.02 0.00 0.00 175.26 176.49 3g3e s ARG 279 N 1.01 0.59 0.18 1.61 1.81 -0.64 -4.99 118.95 118.52 3g3e s ARG 279 Ca -0.06 -0.10 0.10 0.00 -1.72 0.00 0.00 55.73 53.95 3g3e s ARG 279 Cb -0.06 0.26 -0.04 0.00 -0.45 0.00 0.00 34.95 34.66 3g3e s ARG 279 CO -0.09 -0.15 -0.15 0.99 -0.68 0.00 0.00 175.30 175.22 3g3e s THR 280 N -1.06 2.89 0.24 0.02 2.01 -1.26 -0.76 115.64 117.72 3g3e s THR 280 Ca -0.11 -1.76 -0.22 0.00 0.31 0.00 0.00 61.69 59.90 3g3e s THR 280 Cb -0.05 -2.41 0.03 0.00 0.01 0.00 0.00 72.50 70.09 3g3e s THR 280 CO 0.03 -0.09 0.75 -0.83 -0.69 0.00 0.00 174.62 173.79 3g3e s GLY 281 N -2.71 -0.17 -0.36 4.40 0.00 0.67 -4.96 107.32 104.19 3g3e s GLY 281 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 44.72 44.78 3g3e s GLY 281 CO 0.13 -0.04 0.12 -1.36 0.00 0.00 0.00 173.10 171.94 3g3e s PHE 282 N -3.78 3.45 0.13 1.90 0.08 -1.26 -0.71 117.98 117.79 3g3e s PHE 282 Ca 0.10 -2.14 -0.31 0.00 0.12 0.00 0.00 56.93 54.70 3g3e s PHE 282 Cb -0.05 -2.74 -0.10 0.00 -0.57 0.00 0.00 43.02 39.56 3g3e s PHE 282 CO 0.04 -0.89 1.77 1.03 -0.10 0.00 0.00 175.22 177.07 3g3e s ARG 283 N 1.20 4.15 -1.14 0.44 0.52 -0.51 -4.70 118.95 118.91 3g3e s ARG 283 Ca 0.03 2.54 -0.20 0.00 -0.52 0.00 0.00 55.73 57.58 3g3e s ARG 283 Cb -0.21 -3.49 0.08 0.00 0.52 0.00 0.00 34.95 31.85 3g3e s ARG 283 CO -0.02 -0.80 1.53 -1.25 0.02 0.00 0.00 175.30 174.77 3g3e s PRO 284 N 2.38 3.79 0.10 3.54 0.04 -1.25 0.16 135.00 143.76 3g3e s PRO 284 Ca 0.78 -1.67 -0.30 0.00 0.04 0.00 0.00 61.00 59.85 3g3e s PRO 284 Cb -0.46 -5.36 -0.06 0.00 0.04 0.00 0.00 34.50 28.67 3g3e s PRO 284 CO 0.35 -2.14 1.10 0.08 0.04 0.00 0.00 177.00 176.42 3g3e s VAL 285 N 4.13 4.18 0.04 -0.36 1.01 0.80 -0.00 120.40 130.20 3g3e s VAL 285 Ca 0.47 1.69 -0.22 0.00 0.00 0.00 0.00 61.98 63.92 3g3e s VAL 285 Cb 0.01 -4.08 0.05 0.00 0.00 0.00 0.00 36.38 32.36 3g3e s VAL 285 CO -0.02 0.20 0.51 -0.60 0.00 0.00 0.00 175.10 175.19 3g3e s ARG 286 N 0.44 1.02 0.39 2.72 3.52 -1.26 -0.56 118.95 125.22 3g3e s ARG 286 Ca 0.53 -0.23 0.09 0.00 -0.13 0.00 0.00 55.73 55.99 3g3e s ARG 286 Cb -0.27 0.46 0.80 0.00 -1.56 0.00 0.00 34.95 34.38 3g3e s ARG 286 CO 0.31 -0.36 1.94 -1.35 -0.81 0.00 0.00 175.30 175.02 3g3e h PRO 287 N 2.84 0.27 -4.35 5.12 0.11 -1.92 -3.43 132.00 130.62 3g3e h PRO 287 Ca -0.31 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 65.53 3g3e h PRO 287 Cb 1.21 -0.04 -0.20 0.00 0.11 0.00 0.00 31.00 32.08 3g3e h PRO 287 CO 0.41 0.37 -0.71 -0.65 -0.21 0.00 0.00 178.00 177.21 3g3e s GLN 288 N -4.82 0.50 0.37 1.05 -0.21 -1.26 -4.75 119.66 110.54 3g3e s GLN 288 Ca -0.06 -0.82 -0.28 0.00 0.02 0.00 0.00 55.36 54.22 3g3e s GLN 288 Cb 0.16 -0.10 -0.10 0.00 1.00 0.00 0.00 33.01 33.96 3g3e s GLN 288 CO 0.73 -0.01 1.40 0.42 -2.12 0.00 0.00 175.29 175.72 3g3e s ILE 289 N -1.92 2.33 -0.56 1.08 1.01 -1.25 -4.86 121.20 117.02 3g3e s ILE 289 Ca -0.08 0.33 -0.18 0.00 0.00 0.00 0.00 60.65 60.73 3g3e s ILE 289 Cb -0.06 -3.21 0.11 0.00 0.01 0.00 0.00 42.46 39.30 3g3e s ILE 289 CO -0.02 0.08 0.62 -0.60 0.00 0.00 0.00 174.94 175.02 3g3e s ARG 290 N -2.02 3.03 -0.44 2.79 3.52 0.72 -4.97 118.95 121.58 3g3e s ARG 290 Ca 0.52 -1.40 0.03 0.00 -0.13 0.00 0.00 55.73 54.75 3g3e s ARG 290 Cb -0.43 -4.25 0.13 0.00 -1.56 0.00 0.00 34.95 28.83 3g3e s ARG 290 CO 0.58 -1.42 0.22 -1.17 -0.81 0.00 0.00 175.30 172.70 3g3e s LEU 291 N 2.31 3.24 0.27 -0.88 2.96 -1.24 -2.07 118.68 123.27 3g3e s LEU 291 Ca 0.09 -2.62 -0.21 0.00 -0.22 0.00 0.00 54.13 51.17 3g3e s LEU 291 Cb -0.25 -1.23 0.03 0.00 0.50 0.00 0.00 46.19 45.23 3g3e s LEU 291 CO 0.06 -0.28 0.74 -1.83 -1.32 0.00 0.00 176.35 173.73 3g3e s GLU 292 N 0.31 1.76 0.42 1.98 -1.05 -0.97 -4.98 118.70 116.18 3g3e s GLU 292 Ca 0.16 -0.98 0.02 0.00 -0.15 0.00 0.00 54.97 54.02 3g3e s GLU 292 Cb -0.24 0.59 -0.01 0.00 -0.44 0.00 0.00 34.13 34.04 3g3e s GLU 292 CO -0.02 -0.81 0.62 1.03 0.95 0.00 0.00 175.26 177.03 3g3e s ARG 293 N -3.78 3.10 -0.28 -4.83 0.52 -1.26 -0.32 118.95 112.10 3g3e s ARG 293 Ca 0.11 -0.59 -0.19 0.00 -0.52 0.00 0.00 55.73 54.54 3g3e s ARG 293 Cb -0.06 -2.62 0.13 0.00 0.52 0.00 0.00 34.95 32.92 3g3e s ARG 293 CO 0.07 -0.17 0.94 -2.00 0.02 0.00 0.00 175.30 174.16 3g3e s GLU 294 N -4.46 0.48 -0.30 3.54 2.12 -0.06 -4.91 118.70 115.11 3g3e s GLU 294 Ca 0.47 0.73 -0.14 0.00 0.36 0.00 0.00 54.97 56.39 3g3e s GLU 294 Cb -0.10 0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.41 3g3e s GLU 294 CO 0.36 -0.08 0.31 1.14 -0.54 0.00 0.00 175.26 176.45 3g3e s GLN 295 N 0.97 3.84 0.28 4.30 0.00 -1.26 -0.06 119.66 127.74 3g3e s GLN 295 Ca -0.05 -0.22 -0.29 0.00 -0.00 0.00 0.00 55.36 54.80 3g3e s GLN 295 Cb -0.04 -3.71 -0.09 0.00 0.00 0.00 0.00 33.01 29.17 3g3e s GLN 295 CO -0.12 -0.33 1.04 -0.51 0.00 0.00 0.00 175.29 175.37 3g3e s LEU 296 N 1.96 4.53 -0.11 2.60 2.01 0.26 -4.87 118.68 125.05 3g3e s LEU 296 Ca 0.11 2.14 -0.21 0.00 0.01 0.00 0.00 54.13 56.18 3g3e s LEU 296 Cb -0.16 -3.70 -0.18 0.00 0.01 0.00 0.00 46.19 42.16 3g3e s LEU 296 CO 0.11 -0.09 0.62 -0.09 1.01 0.00 0.00 176.35 177.90 3g3e h ARG 297 N 3.74 -0.02 -0.13 1.70 9.65 -1.86 0.32 114.38 127.77 3g3e h ARG 297 Ca -0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 3g3e h ARG 297 Cb 1.21 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3g3e h ARG 297 CO 0.67 0.64 0.00 0.25 2.80 0.00 0.00 179.97 184.33 3g3e n THR 298 N -4.70 0.00 -3.76 0.20 -2.24 -1.26 -3.80 114.28 98.72 3g3e n THR 298 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3g3e n THR 298 Cb 0.33 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3g3e n THR 298 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g3e n GLY 299 N 0.32 -1.68 0.07 3.38 0.00 -1.26 -3.96 105.19 102.05 3g3e n GLY 299 Ca 0.00 -1.39 0.09 0.00 0.00 0.00 0.00 46.02 44.73 3g3e n GLY 299 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3g3e n PRO 300 N 0.00 0.10 -5.13 1.61 -0.04 -1.26 -4.62 135.00 125.66 3g3e n PRO 300 Ca 0.00 0.36 -0.32 0.00 -0.04 0.00 0.00 63.50 63.50 3g3e n PRO 300 Cb 0.00 -1.70 -0.15 0.00 -0.04 0.00 0.00 33.50 31.60 3g3e n PRO 300 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3g3e s SER 301 N -3.67 3.39 -0.02 3.54 1.04 -1.25 -5.12 113.70 111.60 3g3e s SER 301 Ca 0.05 -0.42 -0.11 0.00 0.48 0.00 0.00 55.95 55.95 3g3e s SER 301 Cb 0.09 -0.91 -0.05 0.00 0.10 0.00 0.00 66.02 65.25 3g3e s SER 301 CO 0.32 0.26 0.32 0.20 0.98 0.00 0.00 173.24 175.32 3g3e s ASN 302 N -0.24 6.65 -0.12 7.02 0.02 -1.25 -4.24 114.94 122.77 3g3e s ASN 302 Ca -0.01 0.77 -0.04 0.00 -1.02 0.00 0.00 52.86 52.57 3g3e s ASN 302 Cb -0.13 -2.18 -0.03 0.00 0.02 0.00 0.00 41.25 38.93 3g3e s ASN 302 CO 0.03 0.33 0.00 -0.89 0.02 0.00 0.00 177.10 176.59 3g3e s THR 303 N -1.12 4.31 0.07 1.60 2.01 0.11 -4.93 115.64 117.70 3g3e s THR 303 Ca 0.23 -0.23 -0.26 0.00 0.31 0.00 0.00 61.69 61.74 3g3e s THR 303 Cb -0.15 -2.86 -0.06 0.00 0.01 0.00 0.00 72.50 69.44 3g3e s THR 303 CO 0.11 0.55 0.80 -1.61 -0.69 0.00 0.00 174.62 173.78 3g3e s GLU 304 N -0.30 4.54 -0.07 4.92 0.41 -1.18 0.91 118.70 127.94 3g3e s GLU 304 Ca 0.06 1.14 0.02 0.00 -0.41 0.00 0.00 54.97 55.78 3g3e s GLU 304 Cb -0.12 -3.35 0.01 0.00 -1.78 0.00 0.00 34.13 28.89 3g3e s GLU 304 CO 0.02 0.30 -0.12 0.08 -0.49 0.00 0.00 175.26 175.05 3g3e s VAL 305 N -0.16 1.14 -0.33 2.63 1.01 0.91 -0.86 120.40 124.74 3g3e s VAL 305 Ca 0.40 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 3g3e s VAL 305 Cb -0.21 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.16 3g3e s VAL 305 CO 0.24 0.36 0.11 -0.63 0.00 0.00 0.00 175.10 175.18 3g3e s ILE 306 N 0.67 3.94 0.06 2.22 1.01 -0.06 -0.89 121.20 128.15 3g3e s ILE 306 Ca -0.15 -0.98 -0.27 0.00 0.00 0.00 0.00 60.65 59.26 3g3e s ILE 306 Cb -0.16 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 3g3e s ILE 306 CO 0.04 -0.12 0.83 -1.00 0.00 0.00 0.00 174.94 174.69 3g3e s HIS 307 N 1.45 3.75 -0.41 3.97 3.76 0.57 0.00 115.29 128.38 3g3e s HIS 307 Ca -0.00 1.58 0.04 0.00 -0.15 0.00 0.00 55.06 56.52 3g3e s HIS 307 Cb -0.19 -2.91 0.17 0.00 1.11 0.00 0.00 32.58 30.76 3g3e s HIS 307 CO 0.03 0.23 0.41 1.21 -0.85 0.00 0.00 174.74 175.77 3g3e s ASN 308 N 0.05 1.00 0.23 1.40 2.47 0.14 -2.29 114.94 117.93 3g3e s ASN 308 Ca 0.42 -2.30 -0.17 0.00 0.42 0.00 0.00 52.86 51.22 3g3e s ASN 308 Cb -0.21 0.28 0.02 0.00 -1.45 0.00 0.00 41.25 39.88 3g3e s ASN 308 CO 0.25 -0.19 0.56 -0.72 -3.72 0.00 0.00 177.10 173.28 3g3e s TYR 309 N 0.71 -0.04 0.00 0.43 -0.85 -0.88 -4.17 117.35 112.55 3g3e s TYR 309 Ca 0.26 -0.33 0.00 0.00 -0.52 0.00 0.00 57.07 56.48 3g3e s TYR 309 Cb -0.05 0.43 0.00 0.00 0.38 0.00 0.00 41.96 42.71 3g3e s TYR 309 CO -0.10 -1.01 0.00 0.41 -1.52 0.00 0.00 175.55 173.33 3g3e n GLY 310 N -0.38 0.62 1.17 5.49 0.00 -1.26 -0.20 105.19 110.63 3g3e n GLY 310 Ca -0.07 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 45.82 3g3e n GLY 310 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3g3e n HIS 311 N -0.56 0.99 0.00 1.61 8.25 -1.06 -3.86 115.22 120.59 3g3e n HIS 311 Ca 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 3g3e n HIS 311 Cb 0.20 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.17 3g3e n HIS 311 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g3e n GLY 312 N 1.06 2.98 2.07 -1.41 0.00 1.00 -2.01 105.19 108.88 3g3e n GLY 312 Ca 0.19 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 3g3e n GLY 312 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3e n GLY 313 N 0.00 5.01 1.08 -0.02 0.00 -1.26 -3.80 105.19 106.19 3g3e n GLY 313 Ca 0.00 -1.50 -0.00 0.00 0.00 0.00 0.00 46.02 44.52 3g3e n GLY 313 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3g3e n TYR 314 N -1.07 0.00 -0.11 1.61 4.11 -0.85 -4.91 117.16 115.94 3g3e n TYR 314 Ca 0.56 -0.36 -0.10 0.00 -0.00 0.00 0.00 57.90 58.00 3g3e n TYR 314 Cb 1.28 0.09 -0.02 0.00 -0.00 0.00 0.00 39.34 40.69 3g3e n TYR 314 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 3g3e h GLY 315 N 0.44 0.56 1.07 -7.48 0.00 -1.75 -0.47 103.07 95.45 3g3e h GLY 315 Ca -0.26 -0.33 -0.10 0.00 0.00 0.00 0.00 47.33 46.65 3g3e h GLY 315 CO -0.03 0.31 -0.04 1.41 0.00 0.00 0.00 176.54 178.19 3g3e h LEU 316 N 0.39 1.01 -1.62 3.11 3.38 -1.92 0.24 115.31 119.91 3g3e h LEU 316 Ca 0.11 -0.32 0.16 0.00 0.09 0.00 0.00 57.88 57.92 3g3e h LEU 316 Cb 0.24 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3g3e h LEU 316 CO -0.00 1.09 0.51 0.74 0.09 0.00 0.00 178.44 180.87 3g3e h THR 317 N 0.91 0.76 0.00 0.22 2.02 -1.73 -3.29 112.91 111.80 3g3e h THR 317 Ca 0.16 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.21 3g3e h THR 317 Cb 0.59 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3g3e h THR 317 CO 0.04 0.07 -0.60 0.00 0.37 0.00 0.00 175.52 175.39 3g3e n ILE 318 N -4.47 0.00 -0.13 3.11 3.06 -0.22 -4.51 119.36 116.20 3g3e n ILE 318 Ca 0.15 -0.29 0.17 0.00 -2.50 0.00 0.00 62.75 60.28 3g3e n ILE 318 Cb 0.58 0.80 0.55 0.00 0.54 0.00 0.00 39.64 42.10 3g3e n ILE 318 CO 0.00 0.00 0.00 1.12 -2.50 0.00 0.00 176.55 175.17 3g3e h HIS 319 N 0.00 0.37 0.18 9.51 2.07 -1.03 -2.77 115.15 123.49 3g3e h HIS 319 Ca 0.00 0.01 -0.30 0.00 -2.85 0.00 0.00 60.37 57.23 3g3e h HIS 319 Cb 0.19 -0.12 0.03 0.00 2.57 0.00 0.00 27.41 30.08 3g3e h HIS 319 CO 0.00 0.14 -1.29 2.35 -3.07 0.00 0.00 177.93 176.06 3g3e h TRP 320 N 0.32 0.96 -0.68 6.12 2.91 -1.85 -1.12 115.95 122.62 3g3e h TRP 320 Ca 0.35 -0.65 -0.06 0.00 1.13 0.00 0.00 58.89 59.66 3g3e h TRP 320 Cb 0.90 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 29.46 3g3e h TRP 320 CO -0.00 1.49 0.20 0.78 -1.03 0.00 0.00 178.44 179.89 3g3e h GLY 321 N 0.15 1.13 1.14 2.65 0.00 -1.57 0.03 103.07 106.60 3g3e h GLY 321 Ca -0.21 -0.66 -0.12 0.00 0.00 0.00 0.00 47.33 46.34 3g3e h GLY 321 CO 0.25 0.61 -0.17 0.00 0.00 0.00 0.00 176.54 177.23 3g3e h ALA 323 N 0.93 1.31 0.04 0.00 0.00 -0.68 0.18 119.26 121.05 3g3e h ALA 323 Ca 0.12 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 3g3e h ALA 323 Cb 0.74 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3g3e h ALA 323 CO 0.06 0.46 -1.04 -0.07 0.00 0.00 0.00 179.25 178.66 3g3e h LEU 324 N 0.48 0.21 -0.16 0.00 3.38 -0.67 -2.21 115.31 116.34 3g3e h LEU 324 Ca 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3g3e h LEU 324 Cb 0.40 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3g3e h LEU 324 CO 0.02 1.11 0.02 -0.08 0.09 0.00 0.00 178.44 179.61 3g3e h GLU 325 N 0.05 0.27 -0.09 1.13 4.57 -0.68 -1.15 114.58 118.68 3g3e h GLU 325 Ca -0.06 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.06 3g3e h GLU 325 Cb 1.76 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 30.31 3g3e h GLU 325 CO 0.15 0.45 0.06 0.00 -1.18 0.00 0.00 179.01 178.49 3g3e h ALA 326 N 0.81 2.00 -0.07 2.92 0.00 -0.64 -0.89 119.26 123.40 3g3e h ALA 326 Ca 0.05 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 3g3e h ALA 326 Cb 0.31 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3g3e h ALA 326 CO 0.00 -0.02 -0.76 0.00 0.00 0.00 0.00 179.25 178.47 3g3e h ALA 327 N 1.95 0.55 -0.23 0.00 0.00 -0.96 -2.08 119.26 118.49 3g3e h ALA 327 Ca 0.04 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 3g3e h ALA 327 Cb 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3g3e h ALA 327 CO -0.00 0.77 0.04 0.87 0.00 0.00 0.00 179.25 180.93 3g3e h LYS 328 N 0.27 0.37 -0.62 0.00 1.57 0.06 -2.01 116.57 116.21 3g3e h LYS 328 Ca -0.04 -0.10 0.10 0.00 -1.87 0.00 0.00 60.65 58.74 3g3e h LYS 328 Cb 1.35 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.58 3g3e h LYS 328 CO 0.13 0.50 0.42 -0.07 -0.57 0.00 0.00 179.45 179.86 3g3e h LEU 329 N 0.18 0.40 -0.43 2.94 3.38 -1.16 0.66 115.31 121.29 3g3e h LEU 329 Ca 0.07 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 3g3e h LEU 329 Cb 0.30 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3g3e h LEU 329 CO 0.00 0.24 -0.53 0.15 0.09 0.00 0.00 178.44 178.39 3g3e h PHE 330 N 0.45 0.89 -0.27 1.13 3.57 -1.12 -2.48 116.94 119.11 3g3e h PHE 330 Ca 0.29 -0.31 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 3g3e h PHE 330 Cb 0.53 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3g3e h PHE 330 CO -0.00 1.09 -0.16 0.78 -2.23 0.00 0.00 178.31 177.79 3g3e h GLY 331 N 0.89 0.50 1.70 2.40 0.00 -0.18 -1.51 103.07 106.87 3g3e h GLY 331 Ca 0.02 -0.36 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 3g3e h GLY 331 CO 0.11 0.33 -0.52 3.21 0.00 0.00 0.00 176.54 179.66 3g3e h ARG 332 N 0.42 0.32 -0.45 4.80 3.08 -1.04 -1.05 114.38 120.47 3g3e h ARG 332 Ca 0.08 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.84 3g3e h ARG 332 Cb 0.53 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3g3e h ARG 332 CO 0.03 0.77 -0.12 0.82 -1.07 0.00 0.00 179.97 180.40 3g3e h ILE 333 N 0.25 1.26 -0.36 2.04 2.04 -0.94 -2.31 117.51 119.49 3g3e h ILE 333 Ca 0.01 -1.20 -0.09 0.00 1.00 0.00 0.00 64.86 64.58 3g3e h ILE 333 Cb 1.01 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 3g3e h ILE 333 CO 0.09 0.41 -0.11 -0.07 0.00 0.00 0.00 178.15 178.47 3g3e h LEU 334 N 0.74 0.72 -1.14 1.44 3.38 -0.85 -2.00 115.31 117.60 3g3e h LEU 334 Ca 0.12 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3g3e h LEU 334 Cb 0.61 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3g3e h LEU 334 CO 0.04 0.93 0.00 -0.33 0.09 0.00 0.00 178.44 179.17 3g3e h GLU 335 N 0.50 0.00 0.08 1.13 4.39 -1.00 0.12 114.58 119.81 3g3e h GLU 335 Ca 0.09 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.47 3g3e h GLU 335 Cb 0.62 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 3g3e h GLU 335 CO 0.04 0.00 -1.71 0.93 -1.16 0.00 0.00 179.01 177.11 3g3e h GLU 336 N 0.00 0.17 0.00 2.33 5.08 -1.00 -3.19 114.58 117.97 3g3e h GLU 336 Ca 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3g3e h GLU 336 Cb 0.25 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3g3e h GLU 336 CO 0.00 0.95 0.00 1.63 -1.00 0.00 0.00 179.01 180.59 3g3e n LYS 337 N -3.33 0.88 -3.90 2.33 5.02 -0.77 -4.86 118.16 113.54 3g3e n LYS 337 Ca -0.21 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.84 3g3e n LYS 337 Cb 1.05 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.54 3g3e n LYS 337 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3g3e n LYS 338 N -1.06 -3.59 -0.91 1.97 5.02 -0.37 -4.85 118.16 114.37 3g3e n LYS 338 Ca 0.22 0.45 -0.08 0.00 -2.02 0.00 0.00 58.31 56.87 3g3e n LYS 338 Cb 0.14 -4.65 0.22 0.00 -0.02 0.00 0.00 35.03 30.72 3g3e n LYS 338 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3g3e n LEU 339 N -4.37 5.14 0.00 -0.35 4.32 0.27 -5.02 117.00 116.99 3g3e n LEU 339 Ca -0.31 -3.55 0.00 0.00 -0.02 0.00 0.00 56.01 52.13 3g3e n LEU 339 Cb 0.68 -0.70 0.00 0.00 -1.62 0.00 0.00 43.42 41.79 3g3e n LEU 339 CO 0.74 1.06 0.00 -0.24 -1.22 0.00 0.00 177.39 177.72