#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4i s ASP 2 N 0.00 3.60 0.17 6.12 -1.08 -1.26 -5.00 116.67 119.23 3a4i s ASP 2 Ca 0.00 -1.95 -0.02 0.00 -0.52 0.00 0.00 52.55 50.06 3a4i s ASP 2 Cb 0.00 -0.71 0.04 0.00 -1.46 0.00 0.00 42.92 40.79 3a4i s ASP 2 CO 0.00 -0.36 1.42 -0.50 0.52 0.00 0.00 175.17 176.25 3a4i h TRP 3 N 7.56 0.56 -0.33 -5.34 4.06 -2.01 -1.96 115.95 118.48 3a4i h TRP 3 Ca -0.07 -0.25 0.05 0.00 2.06 0.00 0.00 58.89 60.67 3a4i h TRP 3 Cb 0.98 -0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 29.01 3a4i h TRP 3 CO 0.40 1.02 0.07 0.78 -3.56 0.00 0.00 178.44 177.14 3a4i h GLY 4 N 1.27 0.39 0.92 1.49 0.00 -1.99 -0.40 103.07 104.74 3a4i h GLY 4 Ca -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 3a4i h GLY 4 CO 0.13 -0.02 0.11 -0.09 0.00 0.00 0.00 176.54 176.67 3a4i h ARG 5 N 0.19 0.56 -0.36 4.80 2.43 -1.98 -0.57 114.38 119.45 3a4i h ARG 5 Ca 0.16 -0.12 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 3a4i h ARG 5 Cb 0.17 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 3a4i h ARG 5 CO -0.21 0.59 -0.13 0.35 -1.51 0.00 0.00 179.97 179.07 3a4i h PHE 6 N 0.43 -0.29 -0.08 2.20 3.57 -1.08 -0.09 116.94 121.61 3a4i h PHE 6 Ca 0.12 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 3a4i h PHE 6 Cb 0.26 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 3a4i h PHE 6 CO 0.01 -0.20 0.02 0.28 -2.23 0.00 0.00 178.31 176.20 3a4i h VAL 7 N -0.05 1.17 -0.48 1.41 2.07 -0.88 0.32 116.25 119.81 3a4i h VAL 7 Ca 0.18 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.23 3a4i h VAL 7 Cb 0.32 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 3a4i h VAL 7 CO -0.40 0.15 0.23 -0.08 0.02 0.00 0.00 177.57 177.49 3a4i h GLU 8 N -0.06 0.44 -0.25 1.57 4.81 -0.85 0.44 114.58 120.68 3a4i h GLU 8 Ca 0.02 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3a4i h GLU 8 Cb 0.21 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3a4i h GLU 8 CO -0.00 0.29 0.04 0.93 -0.73 0.00 0.00 179.01 179.54 3a4i h GLU 9 N 0.45 0.41 -0.59 1.92 5.08 -0.84 -2.19 114.58 118.82 3a4i h GLU 9 Ca 0.21 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3a4i h GLU 9 Cb 0.14 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3a4i h GLU 9 CO -0.16 0.54 0.08 0.87 -1.00 0.00 0.00 179.01 179.33 3a4i h LYS 10 N 0.22 0.99 -0.53 2.33 1.79 -0.65 -0.35 116.57 120.37 3a4i h LYS 10 Ca 0.08 -0.27 0.02 0.00 -2.18 0.00 0.00 60.65 58.29 3a4i h LYS 10 Cb 0.32 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 3a4i h LYS 10 CO 0.00 0.94 0.33 0.28 -1.08 0.00 0.00 179.45 179.92 3a4i h VAL 11 N 0.89 1.08 -0.32 0.50 2.07 -0.87 0.83 116.25 120.43 3a4i h VAL 11 Ca 0.18 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3a4i h VAL 11 Cb 0.45 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3a4i h VAL 11 CO 0.01 0.12 0.19 0.03 0.02 0.00 0.00 177.57 177.95 3a4i h ARG 12 N 0.65 0.43 -0.43 1.57 3.08 -1.09 0.07 114.38 118.68 3a4i h ARG 12 Ca 0.21 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.26 3a4i h ARG 12 Cb -0.01 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 3a4i h ARG 12 CO -0.08 0.33 0.18 1.49 -1.07 0.00 0.00 179.97 180.82 3a4i h GLU 13 N 0.41 0.36 -0.09 0.04 4.81 -0.66 0.58 114.58 120.04 3a4i h GLU 13 Ca 0.12 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3a4i h GLU 13 Cb 0.01 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 3a4i h GLU 13 CO -0.02 0.24 0.04 0.82 -0.73 0.00 0.00 179.01 179.36 3a4i h ILE 14 N 0.37 1.14 -0.62 2.32 2.04 -0.54 -0.49 117.51 121.73 3a4i h ILE 14 Ca 0.19 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.74 3a4i h ILE 14 Cb 0.14 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 3a4i h ILE 14 CO -0.17 0.12 0.26 0.03 0.00 0.00 0.00 178.15 178.39 3a4i h ARG 15 N -0.00 0.46 -0.22 2.37 3.08 -0.72 0.25 114.38 119.59 3a4i h ARG 15 Ca 0.03 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3a4i h ARG 15 Cb 0.15 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3a4i h ARG 15 CO -0.00 0.30 -0.25 0.93 -1.07 0.00 0.00 179.97 179.88 3a4i h GLU 16 N 0.47 0.41 0.02 0.04 5.08 -0.71 -0.73 114.58 119.16 3a4i h GLU 16 Ca 0.31 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 3a4i h GLU 16 Cb 0.34 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.57 3a4i h GLU 16 CO -0.27 0.63 -0.39 1.15 -1.00 0.00 0.00 179.01 179.12 3a4i h THR 17 N 0.36 1.53 0.11 1.13 2.02 -0.43 -3.37 112.91 114.27 3a4i h THR 17 Ca 0.06 -2.09 -0.27 0.00 0.77 0.00 0.00 66.41 64.87 3a4i h THR 17 Cb 0.63 2.83 0.01 0.00 -1.74 0.00 0.00 68.15 69.89 3a4i h THR 17 CO 0.05 0.58 -1.19 0.58 0.37 0.00 0.00 175.52 175.91 3a4i h VAL 18 N -0.42 1.40 0.00 3.16 2.07 -0.99 -3.49 116.25 117.98 3a4i h VAL 18 Ca -0.05 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.74 3a4i h VAL 18 Cb 1.17 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.70 3a4i h VAL 18 CO 0.08 0.81 0.00 0.61 0.02 0.00 0.00 177.57 179.09 3a4i n GLY 19 N 1.36 3.89 1.04 2.17 0.00 -0.28 -1.95 105.19 111.42 3a4i n GLY 19 Ca -0.10 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.06 3a4i n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a4i n ASP 20 N 6.55 3.07 -4.45 1.61 5.75 -1.26 -4.97 116.55 122.85 3a4i n ASP 20 Ca 0.00 -1.95 -0.29 0.00 -0.01 0.00 0.00 54.79 52.54 3a4i n ASP 20 Cb 0.00 -0.30 0.15 0.00 -1.03 0.00 0.00 41.12 39.95 3a4i n ASP 20 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3a4i s SER 21 N -1.29 3.41 0.15 -1.12 0.01 -0.82 -5.07 113.70 108.97 3a4i s SER 21 Ca 0.39 0.57 -0.03 0.00 1.31 0.00 0.00 55.95 58.19 3a4i s SER 21 Cb 0.21 -0.86 -0.05 0.00 0.21 0.00 0.00 66.02 65.53 3a4i s SER 21 CO 0.29 -2.57 0.36 -0.54 0.41 0.00 0.00 173.24 171.19 3a4i s LYS 22 N -5.65 3.57 0.22 12.44 1.02 -1.26 -4.89 119.74 125.19 3a4i s LYS 22 Ca 0.68 -0.19 0.09 0.00 0.02 0.00 0.00 55.97 56.57 3a4i s LYS 22 Cb -0.08 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.31 3a4i s LYS 22 CO 0.52 0.46 -0.17 0.00 -0.92 0.00 0.00 175.35 175.24 3a4i s ALA 23 N -1.70 2.27 0.04 5.17 0.00 -0.42 -1.32 121.76 125.81 3a4i s ALA 23 Ca 0.40 -1.70 0.04 0.00 0.00 0.00 0.00 51.96 50.70 3a4i s ALA 23 Cb -0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3a4i s ALA 23 CO 0.26 0.18 -0.13 -1.50 0.00 0.00 0.00 175.76 174.57 3a4i s ILE 24 N -2.61 1.00 0.00 0.00 2.07 -0.38 -0.44 121.20 120.84 3a4i s ILE 24 Ca 0.24 -1.02 0.00 0.00 -1.41 0.00 0.00 60.65 58.45 3a4i s ILE 24 Cb -0.03 -0.93 -0.00 0.00 0.13 0.00 0.00 42.46 41.63 3a4i s ILE 24 CO 0.09 -0.08 -0.01 -0.51 -1.91 0.00 0.00 174.94 172.52 3a4i s ILE 25 N -0.96 0.07 -0.25 2.00 2.07 -0.44 -0.45 121.20 123.24 3a4i s ILE 25 Ca -0.01 -0.07 -0.23 0.00 -1.41 0.00 0.00 60.65 58.94 3a4i s ILE 25 Cb -0.08 -0.07 -0.01 0.00 0.13 0.00 0.00 42.46 42.42 3a4i s ILE 25 CO 0.01 -0.00 0.74 0.00 -1.91 0.00 0.00 174.94 173.78 3a4i s ALA 26 N -0.07 3.62 -0.25 1.50 0.00 -1.26 -0.19 121.76 125.11 3a4i s ALA 26 Ca -0.00 -0.30 -0.18 0.00 0.00 0.00 0.00 51.96 51.48 3a4i s ALA 26 Cb -0.01 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 3a4i s ALA 26 CO -0.00 -0.90 0.53 -0.51 0.00 0.00 0.00 175.76 174.88 3a4i s LEU 27 N 2.70 4.07 0.03 0.00 1.43 0.36 -4.89 118.68 122.38 3a4i s LEU 27 Ca 0.31 0.57 0.22 0.00 -1.03 0.00 0.00 54.13 54.20 3a4i s LEU 27 Cb -0.15 -2.70 -0.10 0.00 0.03 0.00 0.00 46.19 43.27 3a4i s LEU 27 CO 0.08 -0.28 0.87 -1.54 0.23 0.00 0.00 176.35 175.71 3a4i n SER 28 N 5.45 0.55 0.00 2.29 3.41 -1.26 -4.39 113.62 119.66 3a4i n SER 28 Ca -0.04 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 3a4i n SER 28 Cb 0.50 1.10 0.00 0.00 -0.26 0.00 0.00 64.21 65.55 3a4i n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a4i n GLY 29 N 1.36 1.59 3.81 5.00 0.00 -1.26 -5.06 105.19 110.63 3a4i n GLY 29 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3a4i n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a4i s GLY 30 N -2.01 1.76 0.25 -0.02 0.00 -1.26 -4.88 107.32 101.16 3a4i s GLY 30 Ca 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 44.72 44.82 3a4i s GLY 30 CO 0.00 0.47 1.87 -0.24 0.00 0.00 0.00 173.10 175.19 3a4i h VAL 31 N -0.52 1.25 0.49 1.40 3.04 -1.96 -1.91 116.25 118.05 3a4i h VAL 31 Ca -0.44 -0.63 -0.02 0.00 -1.01 0.00 0.00 66.70 64.59 3a4i h VAL 31 Cb 1.21 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 3a4i h VAL 31 CO 0.57 0.28 -0.24 0.44 -1.01 0.00 0.00 177.57 177.61 3a4i h ASP 32 N 1.17 -0.56 -0.18 3.17 3.32 -1.93 -1.06 116.42 120.36 3a4i h ASP 32 Ca 0.29 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 3a4i h ASP 32 Cb 0.05 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3a4i h ASP 32 CO -0.04 -0.26 -0.17 0.77 -1.72 0.00 0.00 179.24 177.81 3a4i h SER 33 N -0.85 0.59 -0.43 6.45 4.64 -1.82 -1.57 113.55 120.55 3a4i h SER 33 Ca -0.07 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3a4i h SER 33 Cb 0.58 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 3a4i h SER 33 CO 0.11 0.77 0.26 0.28 -0.87 0.00 0.00 176.83 177.39 3a4i h SER 34 N 0.53 0.51 -0.20 4.97 0.02 -1.25 0.15 113.55 118.29 3a4i h SER 34 Ca 0.09 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3a4i h SER 34 Cb 0.60 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3a4i h SER 34 CO 0.04 0.41 0.05 0.74 -1.14 0.00 0.00 176.83 176.93 3a4i h THR 35 N 0.57 1.20 -0.97 -2.27 2.02 -0.99 -1.67 112.91 110.81 3a4i h THR 35 Ca 0.15 -0.64 0.03 0.00 0.77 0.00 0.00 66.41 66.72 3a4i h THR 35 Cb -0.01 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 3a4i h THR 35 CO -0.03 0.20 0.63 0.00 0.37 0.00 0.00 175.52 176.69 3a4i h ALA 36 N 0.86 1.27 -0.23 6.16 0.00 -1.19 -2.06 119.26 124.08 3a4i h ALA 36 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3a4i h ALA 36 Cb 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a4i h ALA 36 CO 0.00 0.54 0.10 0.00 0.00 0.00 0.00 179.25 179.89 3a4i h ALA 37 N 1.39 0.30 -0.64 0.00 0.00 -0.76 -1.55 119.26 118.00 3a4i h ALA 37 Ca 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3a4i h ALA 37 Cb -0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3a4i h ALA 37 CO -0.11 -0.12 0.37 0.28 0.00 0.00 0.00 179.25 179.66 3a4i h VAL 38 N 0.23 1.19 -0.14 0.00 2.07 -1.08 0.12 116.25 118.65 3a4i h VAL 38 Ca 0.08 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3a4i h VAL 38 Cb 0.15 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3a4i h VAL 38 CO -0.01 0.21 0.06 -0.07 0.02 0.00 0.00 177.57 177.78 3a4i h LEU 39 N 0.87 0.08 -0.92 2.57 3.38 -1.29 0.09 115.31 120.10 3a4i h LEU 39 Ca 0.23 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3a4i h LEU 39 Cb 0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3a4i h LEU 39 CO -0.04 0.07 0.45 0.00 0.09 0.00 0.00 178.44 179.01 3a4i h ALA 40 N 1.08 1.16 -0.62 1.53 0.00 -0.89 -1.14 119.26 120.39 3a4i h ALA 40 Ca 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3a4i h ALA 40 Cb 0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3a4i h ALA 40 CO -0.05 0.66 0.24 1.25 0.00 0.00 0.00 179.25 181.34 3a4i h HIS 41 N 1.22 0.95 -0.91 0.00 -0.00 -0.50 0.13 115.15 116.04 3a4i h HIS 41 Ca 0.30 -0.08 0.05 0.00 -0.00 0.00 0.00 60.37 60.64 3a4i h HIS 41 Cb 0.06 -0.28 -0.06 0.00 -0.00 0.00 0.00 27.41 27.14 3a4i h HIS 41 CO 0.01 0.76 0.59 0.87 -0.00 0.00 0.00 177.93 180.16 3a4i h LYS 42 N 0.86 1.06 0.27 5.26 1.57 -0.64 0.60 116.57 125.56 3a4i h LYS 42 Ca 0.20 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3a4i h LYS 42 Cb 0.22 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3a4i h LYS 42 CO -0.01 0.70 -0.13 0.00 -0.57 0.00 0.00 179.45 179.43 3a4i h ALA 43 N 1.49 -0.37 0.00 3.86 0.00 -0.46 -3.41 119.26 120.38 3a4i h ALA 43 Ca 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3a4i h ALA 43 Cb 0.10 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3a4i h ALA 43 CO -0.13 -0.50 0.00 0.44 0.00 0.00 0.00 179.25 179.06 3a4i n ILE 44 N -5.08 0.30 -1.43 0.00 -5.35 0.39 -4.76 119.36 103.42 3a4i n ILE 44 Ca -0.09 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 3a4i n ILE 44 Cb 0.26 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 3a4i n ILE 44 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a4i n GLY 45 N -0.15 3.37 0.04 3.28 0.00 0.20 -1.95 105.19 109.99 3a4i n GLY 45 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.89 3a4i n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a4i n ASP 46 N 3.59 0.16 0.02 1.61 8.00 -1.26 -1.05 116.55 127.62 3a4i n ASP 46 Ca 0.00 0.57 0.13 0.00 0.71 0.00 0.00 54.79 56.20 3a4i n ASP 46 Cb 0.00 -0.59 0.54 0.00 -0.02 0.00 0.00 41.12 41.04 3a4i n ASP 46 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3a4i n ARG 47 N -1.71 0.05 -2.73 -1.24 1.74 -0.82 -4.53 116.66 107.42 3a4i n ARG 47 Ca 0.00 0.09 -0.43 0.00 -0.77 0.00 0.00 57.85 56.74 3a4i n ARG 47 Cb 0.04 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.88 3a4i n ARG 47 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3a4i s LEU 48 N -3.33 4.09 -0.31 0.55 2.96 -0.22 -1.30 118.68 121.13 3a4i s LEU 48 Ca 0.12 1.28 -0.09 0.00 -0.22 0.00 0.00 54.13 55.21 3a4i s LEU 48 Cb 0.16 -3.43 -0.01 0.00 0.50 0.00 0.00 46.19 43.41 3a4i s LEU 48 CO 0.50 -0.62 0.15 -1.00 -1.32 0.00 0.00 176.35 174.06 3a4i s HIS 49 N 3.09 3.17 -0.28 5.38 3.76 0.42 -4.03 115.29 126.80 3a4i s HIS 49 Ca 0.41 -0.56 -0.11 0.00 -0.15 0.00 0.00 55.06 54.66 3a4i s HIS 49 Cb -0.15 -2.35 -0.05 0.00 1.11 0.00 0.00 32.58 31.15 3a4i s HIS 49 CO 0.06 -0.45 0.18 0.00 -0.85 0.00 0.00 174.74 173.68 3a4i s ALA 50 N 1.61 3.49 -0.28 -1.40 0.00 -0.25 -1.33 121.76 123.60 3a4i s ALA 50 Ca 0.05 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 50.82 3a4i s ALA 50 Cb -0.17 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 3a4i s ALA 50 CO 0.06 -0.54 0.14 0.08 0.00 0.00 0.00 175.76 175.50 3a4i s VAL 51 N 1.74 4.82 -0.27 0.00 1.01 0.74 -0.01 120.40 128.42 3a4i s VAL 51 Ca 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 3a4i s VAL 51 Cb -0.16 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.91 3a4i s VAL 51 CO 0.10 0.22 0.00 0.12 0.00 0.00 0.00 175.10 175.55 3a4i s PHE 52 N 1.68 3.13 -0.30 5.22 5.36 -0.10 -0.48 117.98 132.47 3a4i s PHE 52 Ca 0.06 -1.38 -0.14 0.00 -0.96 0.00 0.00 56.93 54.51 3a4i s PHE 52 Cb -0.16 -2.14 -0.03 0.00 -0.34 0.00 0.00 43.02 40.35 3a4i s PHE 52 CO 0.07 -0.68 0.33 0.08 -1.46 0.00 0.00 175.22 173.56 3a4i s VAL 53 N 1.38 5.20 -0.70 3.12 1.01 -1.26 -0.85 120.40 128.30 3a4i s VAL 53 Ca 0.00 0.25 -0.27 0.00 0.00 0.00 0.00 61.98 61.96 3a4i s VAL 53 Cb -0.17 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.52 3a4i s VAL 53 CO -0.01 0.07 1.26 0.21 0.00 0.00 0.00 175.10 176.63 3a4i s ASN 54 N 1.71 6.22 0.28 3.32 3.04 0.27 -4.87 114.94 124.91 3a4i s ASN 54 Ca 0.12 -0.32 0.26 0.00 0.04 0.00 0.00 52.86 52.95 3a4i s ASN 54 Cb -0.16 -2.56 0.75 0.00 -1.54 0.00 0.00 41.25 37.74 3a4i s ASN 54 CO 0.11 -1.76 1.74 0.71 -3.04 0.00 0.00 177.10 174.86 3a4i h THR 55 N 6.06 0.00 0.00 -5.21 1.35 -1.88 -1.42 112.91 111.81 3a4i h THR 55 Ca -0.27 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3a4i h THR 55 Cb 1.05 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 3a4i h THR 55 CO 1.26 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.14 3a4i n GLY 56 N 1.06 0.82 0.61 5.82 0.00 -1.26 -4.30 105.19 107.94 3a4i n GLY 56 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 3a4i n GLY 56 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3a4i n PHE 57 N -2.00 0.56 -2.51 1.61 0.99 -1.26 -5.00 117.46 109.85 3a4i n PHE 57 Ca 0.00 -1.05 -0.25 0.00 -0.00 0.00 0.00 57.45 56.15 3a4i n PHE 57 Cb 0.00 -0.27 0.04 0.00 -1.00 0.00 0.00 39.48 38.24 3a4i n PHE 57 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3a4i s LEU 58 N -2.93 3.22 0.73 4.37 1.43 -1.26 -0.49 118.68 123.75 3a4i s LEU 58 Ca 0.39 0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.79 3a4i s LEU 58 Cb 0.33 -3.22 0.03 0.00 0.03 0.00 0.00 46.19 43.36 3a4i s LEU 58 CO 0.05 -1.14 1.07 -0.13 0.23 0.00 0.00 176.35 176.43 3a4i s ARG 59 N -4.92 2.65 0.04 1.70 0.52 -1.26 -4.87 118.95 112.82 3a4i s ARG 59 Ca 0.55 0.86 -0.34 0.00 -0.52 0.00 0.00 55.73 56.28 3a4i s ARG 59 Cb -0.10 -1.97 -0.13 0.00 0.52 0.00 0.00 34.95 33.27 3a4i s ARG 59 CO 0.42 -1.28 1.70 1.17 0.02 0.00 0.00 175.30 177.34 3a4i n LYS 60 N -3.24 2.09 -0.13 3.54 4.81 -1.26 -1.54 118.16 122.43 3a4i n LYS 60 Ca 0.07 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 3a4i n LYS 60 Cb 0.54 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 33.04 3a4i n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a4i n GLY 61 N 3.82 2.69 0.16 3.14 0.00 -1.26 -4.91 105.19 108.82 3a4i n GLY 61 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 3a4i n GLY 61 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a4i h GLU 62 N 2.10 0.45 -0.68 1.61 4.57 -1.64 -1.87 114.58 119.12 3a4i h GLU 62 Ca 0.00 -0.16 0.05 0.00 -1.18 0.00 0.00 59.36 58.07 3a4i h GLU 62 Cb 0.00 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.51 3a4i h GLU 62 CO 0.00 0.66 0.40 -1.35 -1.18 0.00 0.00 179.01 177.54 3a4i h PRO 63 N 0.20 0.72 -0.66 0.92 0.11 -1.91 -0.08 132.00 131.29 3a4i h PRO 63 Ca 0.06 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.16 3a4i h PRO 63 Cb 0.49 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.39 3a4i h PRO 63 CO 0.02 0.48 0.41 0.93 -0.21 0.00 0.00 178.00 179.63 3a4i h GLU 64 N 0.74 0.78 -0.41 1.05 3.07 -1.93 -1.17 114.58 116.70 3a4i h GLU 64 Ca 0.30 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 59.05 3a4i h GLU 64 Cb 0.14 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 3a4i h GLU 64 CO -0.16 0.51 0.04 0.35 -1.40 0.00 0.00 179.01 178.36 3a4i h PHE 65 N 0.80 0.76 -0.30 4.33 3.57 -0.74 -1.03 116.94 124.34 3a4i h PHE 65 Ca 0.27 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 3a4i h PHE 65 Cb 0.03 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3a4i h PHE 65 CO -0.05 0.75 0.04 0.28 -2.23 0.00 0.00 178.31 177.10 3a4i h VAL 66 N 0.55 1.24 0.13 1.41 2.07 -0.76 -0.12 116.25 120.77 3a4i h VAL 66 Ca 0.12 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3a4i h VAL 66 Cb 0.42 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3a4i h VAL 66 CO 0.01 0.27 -0.13 0.58 0.02 0.00 0.00 177.57 178.32 3a4i h VAL 67 N 0.31 0.71 -0.67 2.57 2.07 -1.17 -0.55 116.25 119.52 3a4i h VAL 67 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.70 3a4i h VAL 67 Cb 0.36 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 3a4i h VAL 67 CO 0.01 0.00 0.32 0.50 0.02 0.00 0.00 177.57 178.42 3a4i h LYS 68 N -0.29 0.54 0.09 1.57 3.64 -1.06 0.24 116.57 121.31 3a4i h LYS 68 Ca 0.00 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3a4i h LYS 68 Cb 0.28 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3a4i h LYS 68 CO -0.04 0.36 -0.05 1.15 -2.27 0.00 0.00 179.45 178.61 3a4i h THR 69 N 0.56 1.14 0.17 1.00 2.02 -0.83 -0.81 112.91 116.16 3a4i h THR 69 Ca 0.33 -1.06 -0.34 0.00 0.77 0.00 0.00 66.41 66.11 3a4i h THR 69 Cb 0.35 1.80 0.01 0.00 -1.74 0.00 0.00 68.15 68.56 3a4i h THR 69 CO -0.26 0.25 -1.72 -0.26 0.37 0.00 0.00 175.52 173.89 3a4i h PHE 70 N -0.63 0.65 0.06 3.16 -1.00 -0.93 -0.94 116.94 117.30 3a4i h PHE 70 Ca -0.01 -0.48 -0.00 0.00 2.81 0.00 0.00 57.97 60.29 3a4i h PHE 70 Cb 0.51 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.04 3a4i h PHE 70 CO 0.08 1.67 -0.03 -0.09 -1.61 0.00 0.00 178.31 178.34 3a4i h ARG 71 N 0.03 -0.07 -0.00 1.51 2.43 -0.69 -0.37 114.38 117.21 3a4i h ARG 71 Ca -0.35 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.71 3a4i h ARG 71 Cb 2.04 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 31.61 3a4i h ARG 71 CO 0.15 0.32 -0.46 -0.44 -1.51 0.00 0.00 179.97 178.02 3a4i h ASP 72 N -0.98 0.41 0.10 -3.80 3.32 -1.24 -2.25 116.42 111.98 3a4i h ASP 72 Ca -0.01 -0.77 -0.37 0.00 0.02 0.00 0.00 57.03 55.90 3a4i h ASP 72 Cb 0.43 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3a4i h ASP 72 CO 0.01 1.12 -2.12 -0.62 -1.72 0.00 0.00 179.24 175.92 3a4i n GLU 73 N -4.33 0.73 0.10 3.56 1.02 -0.35 -4.25 120.64 117.12 3a4i n GLU 73 Ca -0.10 0.23 0.12 0.00 -0.02 0.00 0.00 57.16 57.39 3a4i n GLU 73 Cb 0.61 -1.66 0.18 0.00 -0.02 0.00 0.00 31.44 30.54 3a4i n GLU 73 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3a4i h PHE 74 N 0.05 0.00 -1.79 -0.32 0.04 -1.26 -3.48 116.94 110.17 3a4i h PHE 74 Ca -0.46 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.02 3a4i h PHE 74 Cb 2.00 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 40.12 3a4i h PHE 74 CO 0.06 0.00 -0.35 0.41 -0.60 0.00 0.00 178.31 177.83 3a4i n GLY 75 N 1.27 0.11 3.79 -1.45 0.00 -0.85 -5.01 105.19 103.06 3a4i n GLY 75 Ca 0.03 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 3a4i n GLY 75 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a4i s MET 76 N -4.43 3.07 -1.29 1.61 -1.94 -0.16 -4.92 119.30 111.24 3a4i s MET 76 Ca 0.00 1.21 -0.16 0.00 -1.71 0.00 0.00 55.69 55.03 3a4i s MET 76 Cb 0.00 -2.00 0.10 0.00 2.01 0.00 0.00 34.83 34.94 3a4i s MET 76 CO 0.00 -1.01 1.70 -1.71 -0.01 0.00 0.00 175.02 173.99 3a4i n ASN 77 N -2.37 4.94 -4.75 3.03 5.15 -1.26 -4.58 115.26 115.42 3a4i n ASN 77 Ca 0.09 -2.93 -0.38 0.00 -0.60 0.00 0.00 54.58 50.75 3a4i n ASN 77 Cb 0.53 -1.69 -0.06 0.00 -0.53 0.00 0.00 39.78 38.03 3a4i n ASN 77 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3a4i s LEU 78 N 3.31 4.35 -0.43 1.20 2.96 -1.26 -1.09 118.68 127.72 3a4i s LEU 78 Ca 0.50 0.96 -0.12 0.00 -0.22 0.00 0.00 54.13 55.25 3a4i s LEU 78 Cb 0.03 -2.77 0.07 0.00 0.50 0.00 0.00 46.19 44.01 3a4i s LEU 78 CO 0.05 0.07 0.31 -1.00 -1.32 0.00 0.00 176.35 174.45 3a4i s HIS 79 N 0.16 3.28 -0.25 5.38 3.76 0.98 -4.94 115.29 123.67 3a4i s HIS 79 Ca 0.28 -1.17 -0.21 0.00 -0.15 0.00 0.00 55.06 53.81 3a4i s HIS 79 Cb -0.16 -2.96 -0.02 0.00 1.11 0.00 0.00 32.58 30.55 3a4i s HIS 79 CO 0.13 -0.79 0.67 -0.47 -0.85 0.00 0.00 174.74 173.43 3a4i s TYR 80 N 1.54 3.28 -0.27 1.40 6.14 -1.26 -0.93 117.35 127.26 3a4i s TYR 80 Ca 0.03 0.86 0.01 0.00 0.64 0.00 0.00 57.07 58.61 3a4i s TYR 80 Cb -0.23 -2.89 0.05 0.00 0.42 0.00 0.00 41.96 39.31 3a4i s TYR 80 CO 0.05 -0.35 -0.07 0.08 0.64 0.00 0.00 175.55 175.90 3a4i s VAL 81 N 2.57 2.54 -0.60 3.14 1.01 -0.03 -4.99 120.40 124.05 3a4i s VAL 81 Ca 0.28 -1.41 -0.23 0.00 0.00 0.00 0.00 61.98 60.61 3a4i s VAL 81 Cb -0.15 -2.42 0.05 0.00 0.00 0.00 0.00 36.38 33.86 3a4i s VAL 81 CO 0.08 0.02 0.95 -0.62 0.00 0.00 0.00 175.10 175.53 3a4i s ASP 82 N 1.20 6.26 -0.13 3.32 3.68 -1.26 -0.57 116.67 129.18 3a4i s ASP 82 Ca -0.05 -0.62 0.15 0.00 2.13 0.00 0.00 52.55 54.16 3a4i s ASP 82 Cb -0.19 -2.43 0.39 0.00 -1.45 0.00 0.00 42.92 39.24 3a4i s ASP 82 CO -0.04 -1.31 1.29 0.00 0.13 0.00 0.00 175.17 175.23 3a4i n ALA 83 N 7.57 2.60 -0.12 3.66 0.00 -0.57 -4.80 120.51 128.84 3a4i n ALA 83 Ca -0.01 -2.12 -0.04 0.00 0.00 0.00 0.00 53.44 51.27 3a4i n ALA 83 Cb 0.47 -0.53 0.02 0.00 0.00 0.00 0.00 19.45 19.41 3a4i n ALA 83 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3a4i h GLN 84 N 1.20 0.03 -0.94 0.00 4.20 -1.66 -1.89 115.11 116.05 3a4i h GLN 84 Ca 0.00 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 3a4i h GLN 84 Cb 1.15 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.86 3a4i h GLN 84 CO 0.11 0.02 0.62 0.22 -0.67 0.00 0.00 178.83 179.13 3a4i h ASP 85 N 0.03 0.99 -0.52 1.46 1.82 -1.88 -0.70 116.42 117.62 3a4i h ASP 85 Ca 0.20 -0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.81 3a4i h ASP 85 Cb 0.30 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 3a4i h ASP 85 CO -0.40 0.66 0.21 0.03 -1.61 0.00 0.00 179.24 178.13 3a4i h ARG 86 N 1.13 0.78 -0.09 0.28 3.08 -1.73 0.11 114.38 117.94 3a4i h ARG 86 Ca 0.39 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 3a4i h ARG 86 Cb 0.11 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3a4i h ARG 86 CO -0.14 0.68 -0.22 0.74 -1.07 0.00 0.00 179.97 179.96 3a4i h PHE 87 N 0.70 0.41 -0.27 3.04 0.04 -1.07 -1.94 116.94 117.85 3a4i h PHE 87 Ca 0.17 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3a4i h PHE 87 Cb 0.19 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 3a4i h PHE 87 CO 0.01 0.83 0.06 0.74 -0.60 0.00 0.00 178.31 179.35 3a4i h PHE 88 N -0.14 0.46 -0.97 -0.55 0.04 -1.15 -2.67 116.94 111.97 3a4i h PHE 88 Ca -0.00 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.73 3a4i h PHE 88 Cb 0.82 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.79 3a4i h PHE 88 CO 0.11 0.53 0.64 1.03 -0.60 0.00 0.00 178.31 180.02 3a4i h SER 89 N 0.27 1.10 0.32 2.17 0.87 -1.02 -2.02 113.55 115.24 3a4i h SER 89 Ca 0.08 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 3a4i h SER 89 Cb 0.30 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3a4i h SER 89 CO 0.00 0.78 -0.11 0.00 -0.53 0.00 0.00 176.83 176.97 3a4i h ALA 90 N 1.41 1.32 -0.22 6.23 0.00 -1.13 -2.82 119.26 124.05 3a4i h ALA 90 Ca 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3a4i h ALA 90 Cb -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3a4i h ALA 90 CO -0.09 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.58 3a4i n LEU 91 N -3.69 2.74 -4.67 0.00 4.77 -0.77 -4.94 117.00 110.44 3a4i n LEU 91 Ca -0.02 -1.10 -0.47 0.00 -0.03 0.00 0.00 56.01 54.39 3a4i n LEU 91 Cb 0.22 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 3a4i n LEU 91 CO 0.30 0.55 1.27 0.29 -1.33 0.00 0.00 177.39 178.47 3a4i n LYS 92 N 1.05 2.07 -0.76 3.23 5.02 -1.07 -1.78 118.16 125.93 3a4i n LYS 92 Ca 0.17 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.22 3a4i n LYS 92 Cb 0.51 -2.54 0.00 0.00 -0.02 0.00 0.00 35.03 32.99 3a4i n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a4i n GLY 93 N 3.69 1.06 3.66 0.72 0.00 -1.26 -4.99 105.19 108.07 3a4i n GLY 93 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3a4i n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4i s VAL 94 N -3.31 5.07 -0.02 1.61 1.01 -0.73 -4.92 120.40 119.11 3a4i s VAL 94 Ca 0.00 1.06 0.05 0.00 0.00 0.00 0.00 61.98 63.09 3a4i s VAL 94 Cb 0.00 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 3a4i s VAL 94 CO 0.00 0.15 0.09 0.35 0.00 0.00 0.00 175.10 175.70 3a4i n THR 95 N 4.57 0.07 -2.18 3.92 -2.24 -1.26 -3.71 114.28 113.46 3a4i n THR 95 Ca -0.03 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 3a4i n THR 95 Cb 0.50 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 3a4i n THR 95 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a4i s ASP 96 N -2.82 6.80 0.22 3.42 -1.08 -1.26 -4.33 116.67 117.63 3a4i s ASP 96 Ca -0.02 2.11 -0.07 0.00 -0.52 0.00 0.00 52.55 54.05 3a4i s ASP 96 Cb 0.03 -2.55 0.31 0.00 -1.46 0.00 0.00 42.92 39.24 3a4i s ASP 96 CO 0.21 -0.79 1.80 -0.65 0.52 0.00 0.00 175.17 176.26 3a4i h PRO 97 N 8.37 0.69 -0.67 4.34 0.11 -1.96 -0.04 132.00 142.83 3a4i h PRO 97 Ca -0.37 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 3a4i h PRO 97 Cb 1.17 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3a4i h PRO 97 CO 0.93 0.45 0.30 0.93 -0.21 0.00 0.00 178.00 180.40 3a4i h GLU 98 N 0.71 0.98 -0.59 1.05 5.08 -1.99 -1.51 114.58 118.31 3a4i h GLU 98 Ca 0.34 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3a4i h GLU 98 Cb 0.27 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3a4i h GLU 98 CO -0.22 0.80 0.16 1.49 -1.00 0.00 0.00 179.01 180.24 3a4i h GLU 99 N 0.94 0.93 -0.28 2.33 4.57 -1.78 -0.83 114.58 120.47 3a4i h GLU 99 Ca 0.23 -0.22 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 3a4i h GLU 99 Cb 0.15 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 3a4i h GLU 99 CO -0.02 0.85 0.00 0.87 -1.18 0.00 0.00 179.01 179.53 3a4i h LYS 100 N 0.85 0.08 -0.78 1.92 1.57 -0.74 -0.28 116.57 119.19 3a4i h LYS 100 Ca 0.19 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3a4i h LYS 100 Cb 0.33 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 3a4i h LYS 100 CO -0.00 0.06 0.34 0.00 -0.57 0.00 0.00 179.45 179.28 3a4i h ARG 101 N 0.09 1.14 -0.42 3.15 3.08 -0.95 -1.47 114.38 118.99 3a4i h ARG 101 Ca 0.13 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3a4i h ARG 101 Cb 0.17 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3a4i h ARG 101 CO -0.22 0.90 0.19 -0.22 -1.07 0.00 0.00 179.97 179.55 3a4i h LYS 102 N 1.11 0.62 -0.36 0.04 3.64 -0.79 -1.25 116.57 119.58 3a4i h LYS 102 Ca 0.26 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 3a4i h LYS 102 Cb 0.16 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3a4i h LYS 102 CO -0.03 0.55 0.03 0.82 -2.27 0.00 0.00 179.45 178.56 3a4i h ILE 103 N 0.54 1.25 -0.78 2.00 2.04 -0.87 -1.60 117.51 120.09 3a4i h ILE 103 Ca 0.14 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.09 3a4i h ILE 103 Cb 0.15 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3a4i h ILE 103 CO -0.02 0.30 0.50 0.40 0.00 0.00 0.00 178.15 179.34 3a4i h ILE 104 N 0.44 1.21 -0.25 -0.67 2.04 -1.08 -0.34 117.51 118.85 3a4i h ILE 104 Ca 0.11 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.59 3a4i h ILE 104 Cb 0.41 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3a4i h ILE 104 CO 0.01 0.20 0.06 1.23 0.00 0.00 0.00 178.15 179.66 3a4i h GLY 105 N 1.06 0.29 0.86 5.37 0.00 -0.98 -0.46 103.07 109.21 3a4i h GLY 105 Ca 0.28 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.59 3a4i h GLY 105 CO -0.06 0.01 -0.06 -0.09 0.00 0.00 0.00 176.54 176.34 3a4i h ARG 106 N 0.17 -0.10 -0.72 4.80 2.43 -0.91 -1.91 114.38 118.13 3a4i h ARG 106 Ca 0.11 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3a4i h ARG 106 Cb 0.10 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3a4i h ARG 106 CO -0.14 -0.07 0.26 0.28 -1.51 0.00 0.00 179.97 178.80 3a4i h VAL 107 N -0.11 1.25 -0.34 0.20 2.07 -0.96 -0.49 116.25 117.87 3a4i h VAL 107 Ca 0.02 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 66.75 3a4i h VAL 107 Cb 0.13 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3a4i h VAL 107 CO -0.06 0.33 0.15 0.15 0.02 0.00 0.00 177.57 178.16 3a4i h PHE 108 N 1.04 0.28 -0.68 1.57 3.57 -0.92 -0.60 116.94 121.20 3a4i h PHE 108 Ca 0.24 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3a4i h PHE 108 Cb 0.25 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 3a4i h PHE 108 CO 0.02 0.14 0.38 0.82 -2.23 0.00 0.00 178.31 177.44 3a4i h ILE 109 N 0.32 1.21 -0.21 1.41 1.08 -0.89 0.98 117.51 121.41 3a4i h ILE 109 Ca 0.15 -0.50 0.04 0.00 -0.39 0.00 0.00 64.86 64.15 3a4i h ILE 109 Cb 0.08 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 34.10 3a4i h ILE 109 CO -0.12 0.22 -0.03 -0.33 -0.69 0.00 0.00 178.15 177.21 3a4i h GLU 110 N 0.93 0.03 -0.18 2.37 5.08 -0.75 0.18 114.58 122.25 3a4i h GLU 110 Ca 0.24 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3a4i h GLU 110 Cb 0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3a4i h GLU 110 CO -0.04 0.02 0.05 0.28 -1.00 0.00 0.00 179.01 178.32 3a4i h VAL 111 N 0.03 1.20 -0.46 3.13 2.07 -0.71 -1.59 116.25 119.91 3a4i h VAL 111 Ca 0.10 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 3a4i h VAL 111 Cb 0.14 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3a4i h VAL 111 CO -0.19 0.19 0.12 0.15 0.02 0.00 0.00 177.57 177.86 3a4i h PHE 112 N 0.10 0.77 -0.50 1.57 3.57 -0.59 -2.27 116.94 119.59 3a4i h PHE 112 Ca 0.06 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.50 3a4i h PHE 112 Cb 0.25 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 3a4i h PHE 112 CO 0.01 0.70 0.28 1.49 -2.23 0.00 0.00 178.31 178.56 3a4i h GLU 113 N 0.62 0.54 -0.30 1.11 4.81 -0.57 0.74 114.58 121.53 3a4i h GLU 113 Ca 0.15 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3a4i h GLU 113 Cb 0.31 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3a4i h GLU 113 CO 0.00 0.36 0.15 1.49 -0.73 0.00 0.00 179.01 180.28 3a4i h GLU 114 N 0.56 0.31 -0.18 1.92 4.81 -1.00 -0.78 114.58 120.21 3a4i h GLU 114 Ca 0.21 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3a4i h GLU 114 Cb 0.06 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3a4i h GLU 114 CO -0.12 0.21 -0.01 0.28 -0.73 0.00 0.00 179.01 178.64 3a4i h VAL 115 N 0.32 1.26 -0.88 0.32 2.07 -1.21 -3.16 116.25 114.97 3a4i h VAL 115 Ca 0.12 -0.90 0.08 0.00 0.82 0.00 0.00 66.70 66.83 3a4i h VAL 115 Cb 0.04 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 3a4i h VAL 115 CO -0.08 0.27 0.57 0.00 0.02 0.00 0.00 177.57 178.35 3a4i h ALA 116 N 0.76 1.59 -0.51 1.67 0.00 -0.61 -1.85 119.26 120.33 3a4i h ALA 116 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3a4i h ALA 116 Cb 0.41 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3a4i h ALA 116 CO 0.01 0.25 0.16 0.87 0.00 0.00 0.00 179.25 180.54 3a4i h LYS 117 N 0.93 0.74 -0.07 0.00 1.57 -1.11 -0.84 116.57 117.80 3a4i h LYS 117 Ca 0.39 -0.13 -0.17 0.00 -1.87 0.00 0.00 60.65 58.88 3a4i h LYS 117 Cb 0.31 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3a4i h LYS 117 CO -0.16 0.64 -0.69 0.87 -0.57 0.00 0.00 179.45 179.55 3a4i h LYS 118 N 0.73 0.32 -0.29 3.15 6.56 -1.36 -3.23 116.57 122.44 3a4i h LYS 118 Ca 0.17 -0.25 -0.15 0.00 -1.06 0.00 0.00 60.65 59.36 3a4i h LYS 118 Cb 0.21 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.91 3a4i h LYS 118 CO -0.01 0.89 -0.43 0.82 -2.06 0.00 0.00 179.45 178.66 3a4i h ILE 119 N 0.22 1.29 -3.10 1.86 2.04 -0.66 -3.48 117.51 115.68 3a4i h ILE 119 Ca -0.02 -1.62 -0.21 0.00 1.00 0.00 0.00 64.86 64.01 3a4i h ILE 119 Cb 1.25 1.53 0.05 0.00 -0.74 0.00 0.00 36.82 38.91 3a4i h ILE 119 CO 0.11 0.52 -0.34 0.61 0.00 0.00 0.00 178.15 179.05 3a4i n GLY 120 N 0.11 0.11 3.82 5.37 0.00 -0.39 -5.02 105.19 109.20 3a4i n GLY 120 Ca -0.02 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 3a4i n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a4i s ALA 121 N -3.03 2.55 -0.35 4.61 0.00 -1.26 -4.76 121.76 119.53 3a4i s ALA 121 Ca 0.24 -0.07 0.10 0.00 0.00 0.00 0.00 51.96 52.23 3a4i s ALA 121 Cb -0.11 -3.13 -0.12 0.00 0.00 0.00 0.00 23.12 19.76 3a4i s ALA 121 CO 0.30 -1.38 0.37 0.39 0.00 0.00 0.00 175.76 175.44 3a4i n GLU 122 N -3.22 2.77 -4.52 0.00 1.02 -0.43 -4.89 120.64 111.36 3a4i n GLU 122 Ca 0.07 -0.03 -0.21 0.00 -0.02 0.00 0.00 57.16 56.97 3a4i n GLU 122 Cb 0.55 -1.05 -0.15 0.00 -0.02 0.00 0.00 31.44 30.77 3a4i n GLU 122 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3a4i s TYR 123 N -2.16 1.10 -0.24 -0.32 2.02 -1.16 -1.77 117.35 114.81 3a4i s TYR 123 Ca 0.02 -0.23 -0.07 0.00 -0.37 0.00 0.00 57.07 56.42 3a4i s TYR 123 Cb 0.07 -0.73 -0.03 0.00 -0.40 0.00 0.00 41.96 40.88 3a4i s TYR 123 CO 0.42 -0.05 0.05 -1.17 -1.57 0.00 0.00 175.55 173.22 3a4i s LEU 124 N -0.14 3.37 -0.09 -1.29 2.96 0.55 -1.25 118.68 122.79 3a4i s LEU 124 Ca 0.02 -0.22 -0.20 0.00 -0.22 0.00 0.00 54.13 53.51 3a4i s LEU 124 Cb -0.06 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 3a4i s LEU 124 CO -0.00 -0.01 0.56 -0.63 -1.32 0.00 0.00 176.35 174.95 3a4i s ILE 125 N 1.48 5.12 0.15 6.68 -1.09 0.41 -0.20 121.20 133.75 3a4i s ILE 125 Ca 0.06 1.14 0.09 0.00 -2.23 0.00 0.00 60.65 59.70 3a4i s ILE 125 Cb -0.15 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 3a4i s ILE 125 CO 0.03 0.31 -0.20 -1.10 -1.23 0.00 0.00 174.94 172.74 3a4i s GLN 126 N 0.63 1.28 -0.30 2.79 -0.21 -0.35 -4.44 119.66 119.05 3a4i s GLN 126 Ca 0.30 -1.36 0.04 0.00 0.02 0.00 0.00 55.36 54.36 3a4i s GLN 126 Cb -0.16 -1.46 0.52 0.00 1.00 0.00 0.00 33.01 32.91 3a4i s GLN 126 CO 0.13 0.31 1.63 0.41 -2.12 0.00 0.00 175.29 175.66 3a4i n GLY 127 N 0.52 3.60 3.68 3.09 0.00 -1.26 -4.09 105.19 110.73 3a4i n GLY 127 Ca -0.15 -0.78 -0.44 0.00 0.00 0.00 0.00 46.02 44.65 3a4i n GLY 127 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a4i n THR 128 N -0.48 1.09 -4.63 2.61 -1.04 -1.26 -4.64 114.28 105.92 3a4i n THR 128 Ca 0.40 -0.27 -0.32 0.00 -2.04 0.00 0.00 64.05 61.82 3a4i n THR 128 Cb 1.29 -1.51 -0.07 0.00 -1.82 0.00 0.00 70.33 68.22 3a4i n THR 128 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3a4i s ILE 129 N -0.19 1.33 0.27 12.58 -4.36 -1.26 -2.69 121.20 126.87 3a4i s ILE 129 Ca 0.66 -1.93 -0.08 0.00 -0.26 0.00 0.00 60.65 59.04 3a4i s ILE 129 Cb -0.63 -2.26 -0.06 0.00 1.25 0.00 0.00 42.46 40.75 3a4i s ILE 129 CO 0.51 0.00 0.57 0.00 0.24 0.00 0.00 174.94 176.27 3a4i s ALA 130 N -2.84 3.56 -0.78 2.27 0.00 0.41 -4.87 121.76 119.51 3a4i s ALA 130 Ca 0.13 -0.36 -0.20 0.00 0.00 0.00 0.00 51.96 51.53 3a4i s ALA 130 Cb 0.02 -2.42 0.11 0.00 0.00 0.00 0.00 23.12 20.83 3a4i s ALA 130 CO 0.07 0.37 0.98 -1.25 0.00 0.00 0.00 175.76 175.93 3a4i s PRO 131 N -3.16 3.34 7.62 0.00 0.04 -1.26 -4.37 135.00 137.21 3a4i s PRO 131 Ca 0.47 -1.41 0.00 0.00 0.04 0.00 0.00 61.00 60.10 3a4i s PRO 131 Cb -0.11 -4.55 0.00 0.00 0.04 0.00 0.00 34.50 29.88 3a4i s PRO 131 CO 0.25 -1.73 0.00 0.27 0.04 0.00 0.00 177.00 175.83 3a4i n ASN 154 N 6.78 0.00 -4.48 6.66 2.04 -1.26 -5.20 115.26 119.80 3a4i n ASN 154 Ca 0.08 0.00 -0.33 0.00 -0.44 0.00 0.00 54.58 53.90 3a4i n ASN 154 Cb 0.47 0.00 -0.13 0.00 -2.53 0.00 0.00 39.78 37.59 3a4i n ASN 154 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 3a4i s LEU 155 N 0.00 2.75 -0.02 -4.53 1.43 -1.26 -4.88 118.68 112.16 3a4i s LEU 155 Ca 0.00 -0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 52.71 3a4i s LEU 155 Cb 0.00 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 3a4i s LEU 155 CO 0.00 0.34 0.57 -0.54 0.23 0.00 0.00 176.35 176.96 3a4i s LYS 156 N -0.72 4.30 -0.02 1.70 1.02 -0.73 -4.76 119.74 120.53 3a4i s LYS 156 Ca 0.11 0.68 -0.18 0.00 0.02 0.00 0.00 55.97 56.60 3a4i s LYS 156 Cb -0.11 -3.35 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 3a4i s LYS 156 CO 0.01 0.35 0.51 -1.17 -0.92 0.00 0.00 175.35 174.12 3a4i s LEU 157 N -0.10 4.41 -0.09 3.17 2.96 -1.26 -0.33 118.68 127.44 3a4i s LEU 157 Ca 0.30 1.03 0.03 0.00 -0.22 0.00 0.00 54.13 55.28 3a4i s LEU 157 Cb -0.18 -2.77 0.00 0.00 0.50 0.00 0.00 46.19 43.75 3a4i s LEU 157 CO 0.16 0.16 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.52 3a4i s ILE 158 N -0.34 1.79 -0.57 6.68 1.01 0.71 -4.91 121.20 125.57 3a4i s ILE 158 Ca 0.27 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 60.11 3a4i s ILE 158 Cb -0.17 -1.56 0.17 0.00 0.01 0.00 0.00 42.46 40.90 3a4i s ILE 158 CO 0.15 0.50 0.41 -1.61 0.00 0.00 0.00 174.94 174.38 3a4i s GLU 159 N 0.47 1.75 0.25 2.79 2.02 -1.26 -1.21 118.70 123.51 3a4i s GLU 159 Ca -0.17 -2.74 0.22 0.00 0.02 0.00 0.00 54.97 52.30 3a4i s GLU 159 Cb -0.17 -2.54 0.98 0.00 0.10 0.00 0.00 34.13 32.49 3a4i s GLU 159 CO 0.07 -1.31 1.68 -0.35 0.02 0.00 0.00 175.26 175.37 3a4i n PRO 160 N 2.46 0.17 -0.34 0.39 -0.04 -1.26 -2.33 135.00 134.05 3a4i n PRO 160 Ca 0.23 0.45 0.09 0.00 -0.04 0.00 0.00 63.50 64.23 3a4i n PRO 160 Cb 0.40 -1.86 0.27 0.00 -0.04 0.00 0.00 33.50 32.26 3a4i n PRO 160 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3a4i n LEU 161 N -2.20 3.70 0.29 1.53 4.77 -1.26 -4.66 117.00 119.18 3a4i n LEU 161 Ca 0.02 -2.09 0.14 0.00 -0.03 0.00 0.00 56.01 54.04 3a4i n LEU 161 Cb 0.19 -0.41 0.85 0.00 -2.33 0.00 0.00 43.42 41.72 3a4i n LEU 161 CO 0.18 0.87 1.10 -0.09 -1.33 0.00 0.00 177.39 178.12 3a4i h ARG 162 N 3.40 0.00 -0.00 3.23 2.43 -1.24 -0.89 114.38 121.30 3a4i h ARG 162 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3a4i h ARG 162 Cb 0.97 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3a4i h ARG 162 CO 0.04 0.01 -0.63 -0.25 -1.51 0.00 0.00 179.97 177.63 3a4i n ASP 163 N -3.97 0.96 -4.84 -3.80 8.00 -1.26 -2.95 116.55 108.70 3a4i n ASP 163 Ca -0.03 -0.78 -0.37 0.00 0.71 0.00 0.00 54.79 54.33 3a4i n ASP 163 Cb 0.09 0.51 -0.06 0.00 -0.02 0.00 0.00 41.12 41.65 3a4i n ASP 163 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a4i s LEU 164 N -2.85 4.42 0.54 0.64 1.43 -0.34 -4.72 118.68 117.81 3a4i s LEU 164 Ca 0.13 1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 54.22 3a4i s LEU 164 Cb 0.17 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 3a4i s LEU 164 CO 0.71 0.22 0.85 -0.31 0.23 0.00 0.00 176.35 178.05 3a4i s TYR 165 N -1.26 3.39 0.22 0.29 1.51 -1.26 -0.44 117.35 119.79 3a4i s TYR 165 Ca 0.31 0.72 -0.09 0.00 -1.01 0.00 0.00 57.07 57.00 3a4i s TYR 165 Cb -0.16 -2.55 0.32 0.00 -0.11 0.00 0.00 41.96 39.46 3a4i s TYR 165 CO 0.17 -0.58 1.69 -0.22 -1.11 0.00 0.00 175.55 175.50 3a4i h LYS 166 N -0.00 0.23 -0.38 -0.62 1.63 -1.99 0.06 116.57 115.50 3a4i h LYS 166 Ca -0.46 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.26 3a4i h LYS 166 Cb 1.23 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.79 3a4i h LYS 166 CO 0.61 0.15 -0.04 0.38 -3.45 0.00 0.00 179.45 177.10 3a4i h ASP 167 N 0.23 0.58 -0.41 4.20 -0.00 -1.98 -2.58 116.42 116.47 3a4i h ASP 167 Ca 0.33 -0.13 -0.06 0.00 -0.00 0.00 0.00 57.03 57.17 3a4i h ASP 167 Cb 0.51 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.68 3a4i h ASP 167 CO -0.44 0.68 0.01 -0.33 -0.00 0.00 0.00 179.24 179.16 3a4i h GLU 168 N 0.58 0.72 -0.85 4.15 5.08 -1.50 -2.68 114.58 120.07 3a4i h GLU 168 Ca 0.11 -0.22 0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3a4i h GLU 168 Cb 0.42 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 3a4i h GLU 168 CO 0.02 0.79 0.51 0.28 -1.00 0.00 0.00 179.01 179.61 3a4i h VAL 169 N 0.55 0.98 -0.76 3.13 2.07 -0.73 -0.73 116.25 120.76 3a4i h VAL 169 Ca 0.12 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3a4i h VAL 169 Cb 0.46 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 3a4i h VAL 169 CO 0.02 0.16 0.42 0.03 0.02 0.00 0.00 177.57 178.22 3a4i h ARG 170 N 0.89 1.06 -0.34 1.57 3.08 -1.31 0.69 114.38 120.02 3a4i h ARG 170 Ca 0.39 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.33 3a4i h ARG 170 Cb 0.27 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3a4i h ARG 170 CO -0.21 0.78 0.21 0.93 -1.07 0.00 0.00 179.97 180.61 3a4i h GLU 171 N 1.05 0.41 -0.56 0.04 5.08 -0.99 -2.14 114.58 117.47 3a4i h GLU 171 Ca 0.27 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 3a4i h GLU 171 Cb 0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3a4i h GLU 171 CO -0.04 0.27 0.23 1.25 -1.00 0.00 0.00 179.01 179.72 3a4i h LEU 172 N 0.42 0.76 -0.72 1.33 5.85 -0.71 -1.45 115.31 120.80 3a4i h LEU 172 Ca 0.13 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3a4i h LEU 172 Cb -0.01 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3a4i h LEU 172 CO -0.05 0.71 0.45 0.00 -0.34 0.00 0.00 178.44 179.21 3a4i h ALA 173 N 1.08 0.93 -0.22 1.25 0.00 -0.65 0.31 119.26 121.96 3a4i h ALA 173 Ca 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3a4i h ALA 173 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3a4i h ALA 173 CO -0.02 0.24 0.12 -0.22 0.00 0.00 0.00 179.25 179.37 3a4i h LYS 174 N 0.89 0.31 -0.88 0.00 3.64 -1.12 -1.94 116.57 117.46 3a4i h LYS 174 Ca 0.29 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.69 3a4i h LYS 174 Cb 0.01 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.71 3a4i h LYS 174 CO -0.11 0.28 0.58 0.35 -2.27 0.00 0.00 179.45 178.28 3a4i h PHE 175 N 0.25 1.03 0.00 1.91 3.04 -0.55 -1.45 116.94 121.17 3a4i h PHE 175 Ca 0.08 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.05 3a4i h PHE 175 Cb 0.06 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.23 3a4i h PHE 175 CO -0.04 0.56 0.00 1.28 -2.02 0.00 0.00 178.31 178.09 3a4i n LEU 176 N -4.47 0.00 0.00 0.59 4.77 0.03 -4.89 117.00 113.03 3a4i n LEU 176 Ca 0.13 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3a4i n LEU 176 Cb 0.17 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3a4i n LEU 176 CO 0.33 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3a4i n GLY 177 N 0.69 0.69 3.76 -0.72 0.00 -0.54 -5.05 105.19 104.02 3a4i n GLY 177 Ca 0.13 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 3a4i n GLY 177 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a4i s LEU 178 N 0.00 4.02 0.59 0.99 1.43 -0.76 -4.97 118.68 119.98 3a4i s LEU 178 Ca 0.00 2.57 -0.19 0.00 -1.03 0.00 0.00 54.13 55.49 3a4i s LEU 178 Cb 0.00 -4.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 3a4i s LEU 178 CO 0.00 -1.12 1.18 -2.16 0.23 0.00 0.00 176.35 174.48 3a4i s PRO 179 N -2.62 3.04 0.41 1.29 0.04 -1.26 -4.64 135.00 131.26 3a4i s PRO 179 Ca 0.64 1.74 0.15 0.00 0.04 0.00 0.00 61.00 63.57 3a4i s PRO 179 Cb -0.36 -1.95 1.01 0.00 0.04 0.00 0.00 34.50 33.25 3a4i s PRO 179 CO 0.44 -1.13 1.90 1.49 0.04 0.00 0.00 177.00 179.73 3a4i h GLU 180 N 0.88 0.45 -0.13 4.56 4.22 -1.98 -0.05 114.58 122.54 3a4i h GLU 180 Ca -0.50 -0.03 0.04 0.00 0.08 0.00 0.00 59.36 58.95 3a4i h GLU 180 Cb 1.28 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3a4i h GLU 180 CO 0.55 0.30 0.16 0.87 -2.18 0.00 0.00 179.01 178.71 3a4i h LYS 181 N 0.46 0.00 0.00 1.92 1.57 -1.93 -0.46 116.57 118.13 3a4i h LYS 181 Ca 0.40 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.05 3a4i h LYS 181 Cb 0.87 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 3a4i h LYS 181 CO -0.14 0.00 -1.08 -0.89 -0.57 0.00 0.00 179.45 176.77 3a4i n ILE 182 N -3.71 1.48 0.28 1.86 5.41 -0.10 -3.73 119.36 120.85 3a4i n ILE 182 Ca 0.00 0.05 0.17 0.00 1.00 0.00 0.00 62.75 63.97 3a4i n ILE 182 Cb 0.27 -2.21 0.75 0.00 -0.71 0.00 0.00 39.64 37.73 3a4i n ILE 182 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 176.55 176.65 3a4i h TYR 183 N -1.00 0.00 -0.36 1.39 -0.00 -1.24 -1.92 116.97 113.84 3a4i h TYR 183 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.53 3a4i h TYR 183 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.71 3a4i h TYR 183 CO -0.13 0.04 0.00 0.09 -0.00 0.00 0.00 178.16 178.15 3a4i n ASN 184 N -3.17 4.14 -4.78 0.10 3.02 -0.20 -4.85 115.26 109.53 3a4i n ASN 184 Ca -0.00 -2.82 -0.36 0.00 -0.03 0.00 0.00 54.58 51.37 3a4i n ASN 184 Cb 0.28 -0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 38.91 3a4i n ASN 184 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a4i s ARG 185 N -2.49 3.55 0.34 3.52 1.70 -0.72 -4.98 118.95 119.87 3a4i s ARG 185 Ca 0.42 1.63 -0.27 0.00 -0.47 0.00 0.00 55.73 57.04 3a4i s ARG 185 Cb 0.32 -2.15 -0.09 0.00 -0.57 0.00 0.00 34.95 32.46 3a4i s ARG 185 CO 0.12 -0.69 1.15 -1.64 -1.08 0.00 0.00 175.30 173.16 3a4i s MET 186 N -3.08 4.36 0.58 3.89 -1.94 -1.26 -4.99 119.30 116.86 3a4i s MET 186 Ca 0.69 1.86 -0.19 0.00 -1.71 0.00 0.00 55.69 56.34 3a4i s MET 186 Cb -0.24 -2.94 -0.04 0.00 2.01 0.00 0.00 34.83 33.61 3a4i s MET 186 CO 0.28 -0.06 1.19 -1.25 -0.01 0.00 0.00 175.02 175.17 3a4i s PRO 187 N -1.88 3.08 -0.03 2.03 0.04 -1.26 -5.02 135.00 131.96 3a4i s PRO 187 Ca 0.51 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.32 3a4i s PRO 187 Cb -0.32 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.30 3a4i s PRO 187 CO 0.41 -1.11 0.00 0.12 0.04 0.00 0.00 177.00 176.47 3a4i s PHE 188 N -1.64 0.28 0.60 0.56 5.36 -1.26 -4.98 117.98 116.90 3a4i s PHE 188 Ca 0.76 0.01 -0.20 0.00 -0.96 0.00 0.00 56.93 56.55 3a4i s PHE 188 Cb -0.29 -0.38 -0.03 0.00 -0.34 0.00 0.00 43.02 41.99 3a4i s PHE 188 CO 0.31 -0.12 1.31 -1.25 -1.46 0.00 0.00 175.22 174.02 3a4i s PRO 189 N 0.97 2.83 0.19 10.12 0.04 -1.26 -4.89 135.00 143.00 3a4i s PRO 189 Ca -0.10 2.12 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 3a4i s PRO 189 Cb -0.13 -2.02 0.19 0.00 0.04 0.00 0.00 34.50 32.58 3a4i s PRO 189 CO -0.02 -1.40 1.67 0.78 0.04 0.00 0.00 177.00 178.07 3a4i h GLY 190 N 0.96 0.47 1.56 0.56 0.00 -2.00 -0.01 103.07 104.60 3a4i h GLY 190 Ca -0.51 0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3a4i h GLY 190 CO 0.55 -0.17 0.00 -1.55 0.00 0.00 0.00 176.54 175.37 3a4i n PRO 191 N -5.30 0.25 0.00 4.80 -0.04 -1.26 -4.95 135.00 128.50 3a4i n PRO 191 Ca 0.06 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 3a4i n PRO 191 Cb 0.28 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3a4i n PRO 191 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3a4i n GLY 192 N 0.15 2.84 0.06 0.55 0.00 -0.02 -2.09 105.19 106.68 3a4i n GLY 192 Ca 0.08 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.80 3a4i n GLY 192 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a4i n LEU 193 N 0.00 0.24 0.15 0.99 4.77 0.35 -2.56 117.00 120.94 3a4i n LEU 193 Ca 0.00 0.59 0.03 0.00 -0.03 0.00 0.00 56.01 56.60 3a4i n LEU 193 Cb 0.00 -0.59 0.42 0.00 -2.33 0.00 0.00 43.42 40.92 3a4i n LEU 193 CO 0.00 -0.55 0.89 0.00 -1.33 0.00 0.00 177.39 176.39 3a4i h ALA 194 N 2.16 1.56 -0.04 -1.18 0.00 -1.67 0.42 119.26 120.51 3a4i h ALA 194 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3a4i h ALA 194 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3a4i h ALA 194 CO 0.00 0.32 0.00 1.33 0.00 0.00 0.00 179.25 180.90 3a4i n VAL 195 N -4.28 0.04 -0.58 0.00 0.24 -1.06 -3.42 118.33 109.27 3a4i n VAL 195 Ca -0.01 -0.18 0.08 0.00 -2.04 0.00 0.00 64.34 62.19 3a4i n VAL 195 Cb 0.27 0.13 0.26 0.00 -1.47 0.00 0.00 33.84 33.03 3a4i n VAL 195 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3a4i n ARG 196 N -0.20 3.22 -4.01 7.34 1.74 0.13 -3.77 116.66 121.11 3a4i n ARG 196 Ca 0.19 -2.60 -0.30 0.00 -0.77 0.00 0.00 57.85 54.37 3a4i n ARG 196 Cb 0.25 -1.67 -0.16 0.00 -1.02 0.00 0.00 32.46 29.86 3a4i n ARG 196 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3a4i s VAL 197 N -1.84 1.58 -0.04 1.55 1.01 -1.16 -0.81 120.40 120.69 3a4i s VAL 197 Ca 0.39 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3a4i s VAL 197 Cb 0.26 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3a4i s VAL 197 CO 0.17 0.34 1.30 -0.63 0.00 0.00 0.00 175.10 176.29 3a4i s ILE 198 N 1.46 4.01 0.00 2.22 -1.09 -0.26 -4.77 121.20 122.76 3a4i s ILE 198 Ca 0.03 1.35 0.00 0.00 -2.23 0.00 0.00 60.65 59.80 3a4i s ILE 198 Cb -0.14 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 3a4i s ILE 198 CO -0.10 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.21 3a4i n GLY 199 N 3.51 -0.13 3.71 6.18 0.00 -1.26 -4.69 105.19 112.51 3a4i n GLY 199 Ca 0.12 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 3a4i n GLY 199 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a4i s GLU 200 N 0.00 4.23 -0.25 1.61 2.12 -1.24 -4.72 118.70 120.44 3a4i s GLU 200 Ca 0.00 2.31 -0.25 0.00 0.36 0.00 0.00 54.97 57.39 3a4i s GLU 200 Cb 0.00 -3.28 -0.00 0.00 0.26 0.00 0.00 34.13 31.11 3a4i s GLU 200 CO 0.00 -0.62 0.88 0.08 -0.54 0.00 0.00 175.26 175.06 3a4i s VAL 201 N 1.52 4.78 0.15 3.70 1.01 -1.26 -4.99 120.40 125.31 3a4i s VAL 201 Ca 0.70 1.61 0.07 0.00 0.00 0.00 0.00 61.98 64.36 3a4i s VAL 201 Cb -0.42 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 3a4i s VAL 201 CO 0.31 -0.14 -0.15 0.42 0.00 0.00 0.00 175.10 175.55 3a4i s THR 202 N 2.97 1.48 0.24 3.92 -4.23 -1.26 -4.78 115.64 113.98 3a4i s THR 202 Ca 0.37 -1.88 -0.04 0.00 -1.18 0.00 0.00 61.69 58.95 3a4i s THR 202 Cb -0.15 -1.72 0.22 0.00 1.34 0.00 0.00 72.50 72.19 3a4i s THR 202 CO 0.08 -0.46 1.72 -0.65 -0.54 0.00 0.00 174.62 174.77 3a4i h PRO 203 N 3.22 0.39 -0.51 3.99 0.11 -1.98 -0.84 132.00 136.38 3a4i h PRO 203 Ca -0.40 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 3a4i h PRO 203 Cb 1.20 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3a4i h PRO 203 CO 0.54 0.26 0.15 1.49 -0.21 0.00 0.00 178.00 180.23 3a4i h GLU 204 N 0.40 0.79 -0.61 1.05 4.57 -1.99 0.12 114.58 118.91 3a4i h GLU 204 Ca 0.41 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 58.37 3a4i h GLU 204 Cb 0.64 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 3a4i h GLU 204 CO -0.42 0.74 0.21 0.87 -1.18 0.00 0.00 179.01 179.22 3a4i h LYS 205 N 0.69 0.94 -0.53 1.92 1.57 -1.82 -1.20 116.57 118.13 3a4i h LYS 205 Ca 0.16 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3a4i h LYS 205 Cb 0.28 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3a4i h LYS 205 CO -0.00 0.82 0.25 0.82 -0.57 0.00 0.00 179.45 180.76 3a4i h ILE 206 N 0.86 1.20 -0.35 1.86 1.08 -0.94 -0.76 117.51 120.47 3a4i h ILE 206 Ca 0.20 -0.59 0.05 0.00 -0.39 0.00 0.00 64.86 64.13 3a4i h ILE 206 Cb 0.26 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 34.58 3a4i h ILE 206 CO -0.01 0.23 0.09 -0.09 -0.69 0.00 0.00 178.15 177.69 3a4i h ARG 207 N 0.71 0.22 0.27 2.37 2.43 -0.41 0.14 114.38 120.11 3a4i h ARG 207 Ca 0.18 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3a4i h ARG 207 Cb 0.14 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3a4i h ARG 207 CO -0.02 0.15 -0.13 0.82 -1.51 0.00 0.00 179.97 179.27 3a4i h ILE 208 N 0.23 0.77 -0.05 1.20 2.04 -1.05 -2.13 117.51 118.51 3a4i h ILE 208 Ca 0.16 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 3a4i h ILE 208 Cb 0.16 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3a4i h ILE 208 CO -0.19 0.05 -0.31 1.62 0.00 0.00 0.00 178.15 179.32 3a4i h VAL 209 N -0.48 1.24 -0.29 1.67 3.04 -1.03 -1.73 116.25 118.67 3a4i h VAL 209 Ca -0.04 -1.16 0.00 0.00 -1.01 0.00 0.00 66.70 64.49 3a4i h VAL 209 Cb 0.36 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.18 3a4i h VAL 209 CO 0.06 0.34 0.18 -0.09 -1.01 0.00 0.00 177.57 177.05 3a4i h ARG 210 N 0.08 0.39 -0.54 4.17 2.43 -0.51 0.20 114.38 120.61 3a4i h ARG 210 Ca 0.01 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 3a4i h ARG 210 Cb 0.60 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3a4i h ARG 210 CO 0.04 0.29 0.00 0.93 -1.51 0.00 0.00 179.97 179.72 3a4i h GLU 211 N 0.38 0.92 -0.42 0.20 4.39 -1.12 -1.74 114.58 117.21 3a4i h GLU 211 Ca 0.11 -0.27 -0.09 0.00 0.34 0.00 0.00 59.36 59.44 3a4i h GLU 211 Cb -0.01 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3a4i h GLU 211 CO -0.02 0.91 -0.11 0.00 -1.16 0.00 0.00 179.01 178.63 3a4i h ALA 212 N 1.14 0.57 -0.58 3.43 0.00 -1.02 -2.14 119.26 120.67 3a4i h ALA 212 Ca 0.16 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3a4i h ALA 212 Cb 0.50 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3a4i h ALA 212 CO 0.02 0.46 0.37 -0.97 0.00 0.00 0.00 179.25 179.14 3a4i h ASN 213 N 0.63 0.63 -0.53 0.00 -1.24 -0.44 -1.24 115.58 113.38 3a4i h ASN 213 Ca 0.10 -0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.14 3a4i h ASN 213 Cb 0.64 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.51 3a4i h ASN 213 CO 0.04 0.45 0.29 0.00 -1.29 0.00 0.00 177.43 176.92 3a4i h ALA 214 N 1.23 0.68 -0.19 1.57 0.00 -1.08 -0.53 119.26 120.94 3a4i h ALA 214 Ca 0.22 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3a4i h ALA 214 Cb -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3a4i h ALA 214 CO -0.07 -0.03 0.07 0.82 0.00 0.00 0.00 179.25 180.04 3a4i h ILE 215 N 0.57 0.95 0.16 0.00 2.04 -0.99 0.12 117.51 120.37 3a4i h ILE 215 Ca 0.23 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.03 3a4i h ILE 215 Cb 0.09 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3a4i h ILE 215 CO -0.13 0.03 -0.14 0.58 0.00 0.00 0.00 178.15 178.49 3a4i h VAL 216 N 0.16 0.69 -0.87 1.67 2.07 -0.70 -0.57 116.25 118.70 3a4i h VAL 216 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 3a4i h VAL 216 Cb 0.05 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3a4i h VAL 216 CO -0.09 0.00 0.58 -0.33 0.02 0.00 0.00 177.57 177.75 3a4i h GLU 217 N -0.32 1.14 -0.57 1.57 5.08 -0.94 -1.52 114.58 119.02 3a4i h GLU 217 Ca -0.00 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3a4i h GLU 217 Cb 0.29 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3a4i h GLU 217 CO -0.02 0.76 0.36 0.93 -1.00 0.00 0.00 179.01 180.03 3a4i h GLU 218 N 1.18 0.69 -0.41 2.33 5.08 -0.43 -1.48 114.58 121.54 3a4i h GLU 218 Ca 0.32 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.50 3a4i h GLU 218 Cb -0.13 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 3a4i h GLU 218 CO -0.07 0.46 -0.31 0.93 -1.00 0.00 0.00 179.01 179.01 3a4i h GLU 219 N 0.71 0.92 -0.26 2.33 4.39 -0.86 0.04 114.58 121.85 3a4i h GLU 219 Ca 0.23 -0.44 0.01 0.00 0.34 0.00 0.00 59.36 59.50 3a4i h GLU 219 Cb -0.01 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3a4i h GLU 219 CO -0.08 1.09 0.14 0.28 -1.16 0.00 0.00 179.01 179.28 3a4i h VAL 220 N 0.77 1.02 -0.61 3.13 2.07 -1.16 -1.92 116.25 119.54 3a4i h VAL 220 Ca 0.08 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3a4i h VAL 220 Cb 0.89 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3a4i h VAL 220 CO 0.08 0.05 0.36 -0.08 0.02 0.00 0.00 177.57 178.01 3a4i h GLU 221 N 0.29 0.83 -0.66 1.57 4.81 -1.15 -1.67 114.58 118.60 3a4i h GLU 221 Ca 0.10 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3a4i h GLU 221 Cb 0.01 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 3a4i h GLU 221 CO -0.06 0.60 0.40 -0.09 -0.73 0.00 0.00 179.01 179.13 3a4i h ARG 222 N 0.82 0.88 -0.05 1.92 2.43 -0.67 -1.63 114.38 118.09 3a4i h ARG 222 Ca 0.22 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3a4i h ARG 222 Cb -0.02 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 3a4i h ARG 222 CO -0.04 0.61 0.00 0.00 -1.51 0.00 0.00 179.97 179.03 3a4i n ALA 223 N -2.44 2.56 -1.95 2.80 0.00 -0.75 -4.93 120.51 115.81 3a4i n ALA 223 Ca 0.07 -0.46 -0.11 0.00 0.00 0.00 0.00 53.44 52.93 3a4i n ALA 223 Cb 0.06 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 3a4i n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a4i n GLY 224 N 1.17 0.30 3.83 0.00 0.00 -0.61 -5.00 105.19 104.87 3a4i n GLY 224 Ca 0.18 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 3a4i n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a4i s LEU 225 N -3.03 4.08 -0.51 0.99 1.43 -0.66 -5.03 118.68 115.95 3a4i s LEU 225 Ca 0.00 1.44 0.07 0.00 -1.03 0.00 0.00 54.13 54.62 3a4i s LEU 225 Cb 0.00 -4.15 0.27 0.00 0.03 0.00 0.00 46.19 42.34 3a4i s LEU 225 CO 0.00 -0.21 0.68 0.54 0.23 0.00 0.00 176.35 177.58 3a4i n ARG 226 N -0.26 1.72 -1.52 1.70 1.74 -1.26 -4.60 116.66 114.18 3a4i n ARG 226 Ca 0.04 -3.98 -0.30 0.00 -0.77 0.00 0.00 57.85 52.84 3a4i n ARG 226 Cb 0.53 -1.78 0.11 0.00 -1.02 0.00 0.00 32.46 30.30 3a4i n ARG 226 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3a4i s PRO 227 N -2.06 1.75 0.03 5.56 0.04 -1.26 -4.97 135.00 134.08 3a4i s PRO 227 Ca 0.39 0.56 -0.23 0.00 0.04 0.00 0.00 61.00 61.76 3a4i s PRO 227 Cb 0.19 -1.89 -0.15 0.00 0.04 0.00 0.00 34.50 32.69 3a4i s PRO 227 CO -0.07 -1.84 1.42 2.35 0.04 0.00 0.00 177.00 178.90 3a4i h TRP 228 N -1.24 0.19 -3.76 0.56 2.91 -1.26 -3.46 115.95 109.88 3a4i h TRP 228 Ca -0.48 -0.04 -0.16 0.00 1.13 0.00 0.00 58.89 59.33 3a4i h TRP 228 Cb 1.29 -0.05 -0.21 0.00 -0.51 0.00 0.00 29.16 29.68 3a4i h TRP 228 CO 0.41 0.48 -0.62 -0.65 -1.03 0.00 0.00 178.44 177.04 3a4i s GLN 229 N -4.77 0.35 -0.21 2.65 -0.21 -1.15 -4.28 119.66 112.04 3a4i s GLN 229 Ca -0.15 -0.46 -0.06 0.00 0.02 0.00 0.00 55.36 54.72 3a4i s GLN 229 Cb 0.04 0.14 0.10 0.00 1.00 0.00 0.00 33.01 34.29 3a4i s GLN 229 CO 0.70 -0.07 0.40 0.00 -2.12 0.00 0.00 175.29 174.21 3a4i s ALA 230 N -1.28 -1.13 0.35 6.09 0.00 -1.25 -1.33 121.76 123.21 3a4i s ALA 230 Ca -0.14 1.32 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 3a4i s ALA 230 Cb -0.08 -1.42 0.04 0.00 0.00 0.00 0.00 23.12 21.66 3a4i s ALA 230 CO 0.00 -0.89 0.71 -0.59 0.00 0.00 0.00 175.76 174.98 3a4i s PHE 231 N 2.59 0.23 0.09 0.00 -0.12 0.36 -4.63 117.98 116.51 3a4i s PHE 231 Ca 0.03 -0.78 0.09 0.00 -0.05 0.00 0.00 56.93 56.22 3a4i s PHE 231 Cb -0.13 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.85 3a4i s PHE 231 CO -0.13 -1.40 -0.24 0.00 -0.05 0.00 0.00 175.22 173.39 3a4i s ALA 232 N -2.84 2.12 -0.05 1.99 0.00 -1.26 -0.73 121.76 120.99 3a4i s ALA 232 Ca 0.18 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.85 3a4i s ALA 232 Cb -0.04 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.73 3a4i s ALA 232 CO 0.12 0.47 -0.13 0.08 0.00 0.00 0.00 175.76 176.30 3a4i s VAL 233 N -1.00 1.14 -0.39 0.00 1.01 0.11 -4.80 120.40 116.46 3a4i s VAL 233 Ca 0.11 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 3a4i s VAL 233 Cb -0.10 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.28 3a4i s VAL 233 CO 0.04 0.35 0.86 -0.22 0.00 0.00 0.00 175.10 176.13 3a4i s LEU 234 N 0.40 4.06 0.29 3.92 2.96 0.01 -0.46 118.68 129.85 3a4i s LEU 234 Ca -0.09 0.35 0.15 0.00 -0.22 0.00 0.00 54.13 54.32 3a4i s LEU 234 Cb -0.13 -3.14 0.17 0.00 0.50 0.00 0.00 46.19 43.59 3a4i s LEU 234 CO 0.03 -0.86 1.49 -0.07 -1.32 0.00 0.00 176.35 175.62 3a4i h LEU 235 N 10.06 0.00 0.00 -0.68 3.38 -1.44 -0.68 115.31 125.95 3a4i h LEU 235 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3a4i h LEU 235 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3a4i h LEU 235 CO 0.96 0.51 0.00 0.61 0.09 0.00 0.00 178.44 180.62 3a4i n GLY 236 N 1.04 0.61 3.68 0.83 0.00 -1.26 -4.65 105.19 105.44 3a4i n GLY 236 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3a4i n GLY 236 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4i s VAL 237 N -2.09 5.25 0.12 1.61 1.01 -1.26 -4.98 120.40 120.04 3a4i s VAL 237 Ca 0.00 0.59 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 3a4i s VAL 237 Cb 0.00 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 3a4i s VAL 237 CO 0.00 0.29 0.38 -0.54 0.00 0.00 0.00 175.10 175.23 3a4i s LYS 238 N 1.13 3.65 0.08 2.72 -0.14 -1.26 -2.33 119.74 123.59 3a4i s LYS 238 Ca 0.17 -0.01 0.03 0.00 -1.36 0.00 0.00 55.97 54.79 3a4i s LYS 238 Cb -0.14 -2.90 -0.04 0.00 -1.68 0.00 0.00 37.83 33.08 3a4i s LYS 238 CO 0.07 0.50 -0.08 -0.08 -0.76 0.00 0.00 175.35 174.99 3a4i s THR 239 N -1.57 0.75 -0.39 2.17 -1.32 0.02 -4.93 115.64 110.37 3a4i s THR 239 Ca 0.38 -1.62 -0.19 0.00 -1.21 0.00 0.00 61.69 59.06 3a4i s THR 239 Cb -0.13 -1.30 0.01 0.00 -1.51 0.00 0.00 72.50 69.57 3a4i s THR 239 CO 0.22 -0.64 0.54 -0.69 -2.21 0.00 0.00 174.62 171.85 3a4i s VAL 240 N -2.63 4.97 0.21 5.08 1.01 -1.26 -0.29 120.40 127.47 3a4i s VAL 240 Ca 0.04 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.20 3a4i s VAL 240 Cb -0.02 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.33 3a4i s VAL 240 CO -0.02 -0.37 0.12 0.61 0.00 0.00 0.00 175.10 175.45 3a4i n GLY 241 N 4.91 3.17 3.45 4.51 0.00 0.71 -4.93 105.19 117.01 3a4i n GLY 241 Ca -0.04 -2.23 -0.33 0.00 0.00 0.00 0.00 46.02 43.42 3a4i n GLY 241 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4i s VAL 242 N -1.19 2.92 -0.29 1.61 1.01 -1.26 -0.50 120.40 122.71 3a4i s VAL 242 Ca 0.09 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 3a4i s VAL 242 Cb -0.01 -2.13 0.09 0.00 0.00 0.00 0.00 36.38 34.33 3a4i s VAL 242 CO 0.06 0.59 0.06 -1.58 0.00 0.00 0.00 175.10 174.22 3a4i s GLN 243 N -0.64 0.96 7.00 2.72 2.00 -0.04 -4.88 119.66 126.79 3a4i s GLN 243 Ca 0.10 -1.10 0.00 0.00 -2.00 0.00 0.00 55.36 52.35 3a4i s GLN 243 Cb -0.11 -2.28 0.00 0.00 0.80 0.00 0.00 33.01 31.42 3a4i s GLN 243 CO 0.01 -0.88 0.00 0.41 -0.50 0.00 0.00 175.29 174.33 3a4i n GLY 244 N 4.75 2.53 1.03 2.59 0.00 -1.26 -2.87 105.19 111.97 3a4i n GLY 244 Ca -0.03 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.13 3a4i n GLY 244 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a4i n ASP 245 N 10.13 3.30 -4.20 1.61 3.85 -1.26 -4.97 116.55 125.02 3a4i n ASP 245 Ca 0.00 -1.94 -0.18 0.00 -0.71 0.00 0.00 54.79 51.96 3a4i n ASP 245 Cb 0.00 -0.25 -0.12 0.00 -1.35 0.00 0.00 41.12 39.40 3a4i n ASP 245 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.20 176.46 3a4i s ILE 246 N -1.28 1.17 0.47 2.12 -4.36 -1.14 -5.13 121.20 113.05 3a4i s ILE 246 Ca 0.35 -1.47 -0.22 0.00 -0.26 0.00 0.00 60.65 59.05 3a4i s ILE 246 Cb 0.20 -1.25 -0.07 0.00 1.25 0.00 0.00 42.46 42.58 3a4i s ILE 246 CO 0.28 -0.32 1.13 -0.13 0.24 0.00 0.00 174.94 176.14 3a4i s ARG 247 N -2.14 3.73 -0.13 0.37 0.52 -1.26 -0.86 118.95 119.17 3a4i s ARG 247 Ca 0.02 1.66 -0.12 0.00 -0.52 0.00 0.00 55.73 56.77 3a4i s ARG 247 Cb -0.08 -2.30 0.04 0.00 0.52 0.00 0.00 34.95 33.13 3a4i s ARG 247 CO 0.02 -0.55 0.35 0.00 0.02 0.00 0.00 175.30 175.15 3a4i s ALA 248 N -1.66 -0.88 0.17 2.13 0.00 0.35 -4.81 121.76 117.06 3a4i s ALA 248 Ca 0.65 1.02 -0.32 0.00 0.00 0.00 0.00 51.96 53.32 3a4i s ALA 248 Cb -0.25 -0.60 -0.10 0.00 0.00 0.00 0.00 23.12 22.17 3a4i s ALA 248 CO 0.30 -0.17 1.58 0.71 0.00 0.00 0.00 175.76 178.18 3a4i s TYR 249 N 0.26 3.05 0.26 0.00 1.51 -1.26 -0.21 117.35 120.97 3a4i s TYR 249 Ca -0.01 0.61 0.05 0.00 -1.01 0.00 0.00 57.07 56.71 3a4i s TYR 249 Cb -0.03 -3.94 -0.06 0.00 -0.11 0.00 0.00 41.96 37.83 3a4i s TYR 249 CO -0.00 -3.47 -0.02 0.15 -1.11 0.00 0.00 175.55 171.10 3a4i s LYS 250 N 1.15 1.45 0.68 -0.62 1.02 0.60 -4.88 119.74 119.14 3a4i s LYS 250 Ca 0.70 -1.74 -0.03 0.00 0.02 0.00 0.00 55.97 54.92 3a4i s LYS 250 Cb -0.44 -0.87 0.08 0.00 -0.52 0.00 0.00 37.83 36.08 3a4i s LYS 250 CO 0.31 -0.04 0.95 -1.21 -0.92 0.00 0.00 175.35 174.44 3a4i s GLU 251 N -3.81 2.07 -0.10 1.68 0.41 0.60 -0.80 118.70 118.76 3a4i s GLU 251 Ca 0.29 -0.65 0.03 0.00 -0.41 0.00 0.00 54.97 54.23 3a4i s GLU 251 Cb 0.05 -2.29 0.01 0.00 -1.78 0.00 0.00 34.13 30.11 3a4i s GLU 251 CO 0.10 -1.20 -0.20 0.99 -0.49 0.00 0.00 175.26 174.46 3a4i s THR 252 N -3.11 1.78 -0.11 3.63 2.01 -0.99 -0.79 115.64 118.06 3a4i s THR 252 Ca 0.62 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 3a4i s THR 252 Cb -0.09 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 3a4i s THR 252 CO 0.43 0.50 0.02 -0.63 -0.69 0.00 0.00 174.62 174.25 3a4i s ILE 253 N 0.54 4.44 -0.15 1.82 -1.09 -0.35 -1.12 121.20 125.29 3a4i s ILE 253 Ca -0.15 -0.19 -0.07 0.00 -2.23 0.00 0.00 60.65 58.01 3a4i s ILE 253 Cb -0.17 -2.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 3a4i s ILE 253 CO 0.05 0.57 0.11 0.00 -1.23 0.00 0.00 174.94 174.44 3a4i s ALA 254 N -0.53 3.66 -0.22 9.38 0.00 0.39 -0.75 121.76 133.69 3a4i s ALA 254 Ca 0.09 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 3a4i s ALA 254 Cb -0.12 -1.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 3a4i s ALA 254 CO 0.02 0.40 0.17 0.08 0.00 0.00 0.00 175.76 176.43 3a4i s VAL 255 N -0.35 5.36 -0.23 0.00 1.01 0.14 0.03 120.40 126.37 3a4i s VAL 255 Ca 0.10 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.33 3a4i s VAL 255 Cb -0.12 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.80 3a4i s VAL 255 CO 0.01 0.37 -0.12 -0.60 0.00 0.00 0.00 175.10 174.76 3a4i s ARG 256 N 0.86 2.26 -0.08 2.72 6.06 0.09 -1.14 118.95 129.71 3a4i s ARG 256 Ca 0.09 -1.13 -0.00 0.00 -2.50 0.00 0.00 55.73 52.18 3a4i s ARG 256 Cb -0.13 -2.72 0.03 0.00 0.06 0.00 0.00 34.95 32.19 3a4i s ARG 256 CO 0.03 -0.49 -0.04 0.42 -2.50 0.00 0.00 175.30 172.72 3a4i s ILE 257 N 1.22 0.66 0.05 4.11 1.01 -1.26 -0.49 121.20 126.50 3a4i s ILE 257 Ca -0.05 -0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.56 3a4i s ILE 257 Cb -0.18 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 3a4i s ILE 257 CO -0.07 0.30 -0.14 0.68 0.00 0.00 0.00 174.94 175.71 3a4i s VAL 258 N 1.66 1.07 -0.03 2.92 -7.23 -0.44 -1.19 120.40 117.15 3a4i s VAL 258 Ca 0.02 -1.10 -0.01 0.00 -1.81 0.00 0.00 61.98 59.07 3a4i s VAL 258 Cb -0.13 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 3a4i s VAL 258 CO -0.05 -0.10 0.07 -1.61 -0.31 0.00 0.00 175.10 173.10 3a4i s GLU 259 N -1.36 3.08 -0.15 4.82 2.02 -0.17 -0.82 118.70 126.12 3a4i s GLU 259 Ca -0.00 -0.44 -0.29 0.00 0.02 0.00 0.00 54.97 54.26 3a4i s GLU 259 Cb -0.09 -2.87 0.09 0.00 0.10 0.00 0.00 34.13 31.37 3a4i s GLU 259 CO 0.02 0.67 0.83 0.45 0.02 0.00 0.00 175.26 177.25 3a4i s SER 260 N -1.49 -0.56 0.00 -0.19 0.15 -1.26 -1.32 113.70 109.02 3a4i s SER 260 Ca 0.20 0.78 -0.24 0.00 0.70 0.00 0.00 55.95 57.39 3a4i s SER 260 Cb -0.12 0.68 -0.16 0.00 -1.71 0.00 0.00 66.02 64.72 3a4i s SER 260 CO 0.11 -0.40 1.14 0.40 1.20 0.00 0.00 173.24 175.68 3a4i h ILE 261 N 3.14 0.53 0.00 6.45 2.04 -2.00 -3.44 117.51 124.23 3a4i h ILE 261 Ca -0.25 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3a4i h ILE 261 Cb 1.16 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3a4i h ILE 261 CO 0.27 0.09 -0.18 -0.90 0.00 0.00 0.00 178.15 177.43 3a4i n ASP 262 N -5.17 0.00 0.00 1.72 5.68 -1.26 -5.02 116.55 112.51 3a4i n ASP 262 Ca -0.10 -1.36 0.00 0.00 -0.50 0.00 0.00 54.79 52.84 3a4i n ASP 262 Cb 0.28 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 3a4i n ASP 262 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a4i n GLY 263 N 0.00 1.48 0.24 6.12 0.00 -1.26 -4.93 105.19 106.84 3a4i n GLY 263 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3a4i n GLY 263 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3a4i h MET 264 N 3.02 0.78 -4.79 1.61 -1.53 -1.97 -3.42 114.93 108.63 3a4i h MET 264 Ca 0.00 -0.05 -0.31 0.00 -3.44 0.00 0.00 59.70 55.91 3a4i h MET 264 Cb 0.00 -0.17 -0.15 0.00 -0.55 0.00 0.00 31.60 30.73 3a4i h MET 264 CO 0.00 0.51 -0.63 0.95 0.14 0.00 0.00 176.91 177.88 3a4i s THR 265 N -6.15 0.49 -0.09 -0.77 -4.23 -1.26 -4.86 115.64 98.76 3a4i s THR 265 Ca -0.13 -1.99 -0.24 0.00 -1.18 0.00 0.00 61.69 58.15 3a4i s THR 265 Cb 0.13 -2.43 0.05 0.00 1.34 0.00 0.00 72.50 71.59 3a4i s THR 265 CO 0.75 -0.17 0.56 0.00 -0.54 0.00 0.00 174.62 175.22 3a4i s ALA 266 N -3.80 -1.43 -0.07 3.99 0.00 -0.13 -4.50 121.76 115.82 3a4i s ALA 266 Ca 0.33 1.17 0.01 0.00 0.00 0.00 0.00 51.96 53.47 3a4i s ALA 266 Cb 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3a4i s ALA 266 CO 0.10 -0.31 -0.07 0.54 0.00 0.00 0.00 175.76 176.01 3a4i s ASN 267 N -0.76 4.63 0.15 0.00 4.22 -0.44 -0.39 114.94 122.35 3a4i s ASN 267 Ca -0.08 -0.03 -0.34 0.00 -2.14 0.00 0.00 52.86 50.26 3a4i s ASN 267 Cb -0.03 -1.18 -0.15 0.00 1.28 0.00 0.00 41.25 41.18 3a4i s ASN 267 CO 0.06 0.36 1.50 0.00 -2.04 0.00 0.00 177.10 176.98 3a4i n ALA 268 N 2.26 0.75 -1.91 3.54 0.00 -1.26 -0.99 120.51 122.90 3a4i n ALA 268 Ca -0.18 0.46 -0.41 0.00 0.00 0.00 0.00 53.44 53.32 3a4i n ALA 268 Cb 0.53 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 3a4i n ALA 268 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3a4i s MET 269 N 0.71 4.65 -1.10 0.00 1.75 -0.34 -4.81 119.30 120.16 3a4i s MET 269 Ca 0.79 1.72 -0.22 0.00 -1.25 0.00 0.00 55.69 56.74 3a4i s MET 269 Cb -0.75 -3.24 0.02 0.00 2.84 0.00 0.00 34.83 33.70 3a4i s MET 269 CO 0.41 0.18 1.68 1.21 -0.65 0.00 0.00 175.02 177.86 3a4i s ASN 270 N -0.54 6.16 0.06 1.11 2.47 -1.26 -4.97 114.94 117.98 3a4i s ASN 270 Ca 0.46 -1.62 -0.25 0.00 0.42 0.00 0.00 52.86 51.87 3a4i s ASN 270 Cb -0.30 -2.57 -0.06 0.00 -1.45 0.00 0.00 41.25 36.87 3a4i s ASN 270 CO 0.37 -1.84 0.77 -0.69 -3.72 0.00 0.00 177.10 171.98 3a4i s VAL 271 N 6.48 4.67 0.33 -5.21 1.01 -1.26 -5.00 120.40 121.43 3a4i s VAL 271 Ca 0.56 1.64 -0.28 0.00 0.00 0.00 0.00 61.98 63.89 3a4i s VAL 271 Cb -0.00 -4.12 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 3a4i s VAL 271 CO -0.00 0.39 1.29 -2.65 0.00 0.00 0.00 175.10 174.13 3a4i n PRO 272 N 2.60 2.11 -0.35 2.72 -0.02 -1.26 -4.78 135.00 136.02 3a4i n PRO 272 Ca -0.03 0.74 0.07 0.00 -2.02 0.00 0.00 63.50 62.26 3a4i n PRO 272 Cb 0.50 -2.32 0.25 0.00 -0.02 0.00 0.00 33.50 31.91 3a4i n PRO 272 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3a4i h TRP 273 N 2.68 1.11 -0.59 6.00 2.91 -2.00 -0.27 115.95 125.79 3a4i h TRP 273 Ca -0.46 0.03 0.04 0.00 1.13 0.00 0.00 58.89 59.63 3a4i h TRP 273 Cb 1.28 -0.35 -0.03 0.00 -0.51 0.00 0.00 29.16 29.55 3a4i h TRP 273 CO 0.51 0.46 0.39 1.05 -1.03 0.00 0.00 178.44 179.82 3a4i h GLU 274 N 0.98 0.63 -0.12 2.65 4.11 -1.99 0.16 114.58 121.01 3a4i h GLU 274 Ca 0.48 -0.04 -0.13 0.00 0.07 0.00 0.00 59.36 59.74 3a4i h GLU 274 Cb 0.47 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3a4i h GLU 274 CO -0.24 0.42 -0.44 0.28 0.07 0.00 0.00 179.01 179.10 3a4i h VAL 275 N 0.65 1.37 -0.62 -1.06 2.07 -1.41 -1.40 116.25 115.85 3a4i h VAL 275 Ca 0.24 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 66.03 3a4i h VAL 275 Cb 0.14 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 3a4i h VAL 275 CO -0.07 0.52 0.39 -0.07 0.02 0.00 0.00 177.57 178.36 3a4i h LEU 276 N 0.10 0.64 -0.82 2.57 3.38 -0.87 -1.14 115.31 119.18 3a4i h LEU 276 Ca -0.02 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3a4i h LEU 276 Cb 1.07 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 3a4i h LEU 276 CO 0.09 0.45 0.41 1.56 0.09 0.00 0.00 178.44 181.04 3a4i h GLN 277 N 0.77 1.17 -0.40 1.13 1.08 -0.61 -0.02 115.11 118.22 3a4i h GLN 277 Ca 0.24 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3a4i h GLN 277 Cb -0.00 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.19 3a4i h GLN 277 CO -0.09 0.89 0.27 0.00 -0.95 0.00 0.00 178.83 178.94 3a4i h ARG 278 N 1.16 0.53 -0.10 1.46 3.08 -0.89 0.36 114.38 119.98 3a4i h ARG 278 Ca 0.28 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.31 3a4i h ARG 278 Cb 0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3a4i h ARG 278 CO -0.04 0.36 0.01 0.82 -1.07 0.00 0.00 179.97 180.05 3a4i h ILE 279 N 0.55 0.94 -0.39 2.04 2.04 -0.90 0.31 117.51 122.10 3a4i h ILE 279 Ca 0.15 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 3a4i h ILE 279 Cb -0.06 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3a4i h ILE 279 CO -0.03 0.01 0.13 0.00 0.00 0.00 0.00 178.15 178.26 3a4i h ALA 280 N 1.08 0.51 0.11 1.87 0.00 -0.80 -0.84 119.26 121.18 3a4i h ALA 280 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3a4i h ALA 280 Cb 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3a4i h ALA 280 CO -0.07 0.15 -0.05 0.35 0.00 0.00 0.00 179.25 179.62 3a4i h PHE 281 N 0.48 -0.14 -0.39 0.00 3.04 -0.81 -2.38 116.94 116.75 3a4i h PHE 281 Ca 0.13 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.02 3a4i h PHE 281 Cb 0.24 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.78 3a4i h PHE 281 CO 0.01 -0.07 0.05 0.00 -2.02 0.00 0.00 178.31 176.28 3a4i h ARG 282 N -0.16 0.65 -0.35 1.11 3.08 -0.84 -0.89 114.38 116.97 3a4i h ARG 282 Ca -0.02 -0.18 0.03 0.00 0.07 0.00 0.00 59.98 59.88 3a4i h ARG 282 Cb 0.13 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3a4i h ARG 282 CO 0.02 0.71 0.16 0.82 -1.07 0.00 0.00 179.97 180.62 3a4i h ILE 283 N 0.49 0.97 0.00 2.04 2.04 -1.10 0.24 117.51 122.18 3a4i h ILE 283 Ca 0.12 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 3a4i h ILE 283 Cb 0.39 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3a4i h ILE 283 CO 0.01 0.06 -0.33 0.71 0.00 0.00 0.00 178.15 178.60 3a4i h THR 284 N 0.34 0.62 0.12 -0.27 1.35 -1.32 -0.70 112.91 113.04 3a4i h THR 284 Ca 0.15 -1.69 -0.30 0.00 -0.55 0.00 0.00 66.41 64.02 3a4i h THR 284 Cb 0.07 2.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 3a4i h THR 284 CO -0.11 0.33 -1.58 0.77 -0.25 0.00 0.00 175.52 174.67 3a4i h SER 285 N 0.00 0.38 1.30 5.36 4.64 -1.01 -3.38 113.55 120.84 3a4i h SER 285 Ca -0.00 -0.86 -0.01 0.00 -0.47 0.00 0.00 61.79 60.45 3a4i h SER 285 Cb 1.13 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3a4i h SER 285 CO 0.04 1.69 -0.71 -0.33 -0.87 0.00 0.00 176.83 176.65 3a4i h GLU 286 N -0.23 0.00 -2.98 4.77 5.08 -0.59 -3.39 114.58 117.24 3a4i h GLU 286 Ca -0.34 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.40 3a4i h GLU 286 Cb 1.82 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.66 3a4i h GLU 286 CO 0.05 0.03 -0.66 0.42 -1.00 0.00 0.00 179.01 177.85 3a4i s ILE 287 N -3.28 2.28 -0.75 3.13 1.01 -0.27 -4.98 121.20 118.34 3a4i s ILE 287 Ca 0.02 -3.74 0.14 0.00 0.00 0.00 0.00 60.65 57.07 3a4i s ILE 287 Cb 0.08 -2.52 0.13 0.00 0.01 0.00 0.00 42.46 40.16 3a4i s ILE 287 CO 0.75 -1.01 1.43 -0.81 0.00 0.00 0.00 174.94 175.30 3a4i n PRO 288 N 2.38 0.07 0.20 2.79 -0.04 -1.26 -0.77 135.00 138.38 3a4i n PRO 288 Ca 0.19 0.42 0.15 0.00 -0.04 0.00 0.00 63.50 64.22 3a4i n PRO 288 Cb 0.37 -1.66 0.62 0.00 -0.04 0.00 0.00 33.50 32.79 3a4i n PRO 288 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3a4i h GLU 289 N 0.00 0.00 -5.23 0.54 3.07 -1.91 -3.43 114.58 107.63 3a4i h GLU 289 Ca 0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.24 3a4i h GLU 289 Cb 0.17 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 27.91 3a4i h GLU 289 CO 0.00 0.00 -0.56 0.08 -1.40 0.00 0.00 179.01 177.13 3a4i s VAL 290 N -3.52 4.81 -0.18 3.13 1.01 0.05 -0.29 120.40 125.40 3a4i s VAL 290 Ca 0.02 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3a4i s VAL 290 Cb 0.09 -3.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.18 3a4i s VAL 290 CO 0.44 0.44 0.25 0.61 0.00 0.00 0.00 175.10 176.84 3a4i n GLY 291 N 3.74 -0.05 3.13 4.51 0.00 0.03 -4.48 105.19 112.07 3a4i n GLY 291 Ca -0.16 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 3a4i n GLY 291 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3a4i s ARG 292 N -2.15 0.33 -0.08 1.61 3.52 -1.10 -4.99 118.95 116.09 3a4i s ARG 292 Ca -0.00 0.22 0.03 0.00 -0.13 0.00 0.00 55.73 55.85 3a4i s ARG 292 Cb 0.05 0.15 0.01 0.00 -1.56 0.00 0.00 34.95 33.61 3a4i s ARG 292 CO 0.32 -0.05 -0.17 0.08 -0.81 0.00 0.00 175.30 174.67 3a4i s VAL 293 N -0.13 1.54 0.05 7.11 1.01 -1.26 -1.21 120.40 127.49 3a4i s VAL 293 Ca -0.02 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.34 3a4i s VAL 293 Cb -0.03 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 3a4i s VAL 293 CO 0.01 0.44 -0.24 -0.76 0.00 0.00 0.00 175.10 174.55 3a4i s LEU 294 N 0.59 2.29 -0.17 3.92 1.43 0.07 -4.98 118.68 121.83 3a4i s LEU 294 Ca -0.15 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 52.36 3a4i s LEU 294 Cb -0.16 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 3a4i s LEU 294 CO 0.05 0.26 -0.04 -0.47 0.23 0.00 0.00 176.35 176.38 3a4i s TYR 295 N -0.84 2.99 -0.01 0.29 6.04 -1.26 0.27 117.35 124.83 3a4i s TYR 295 Ca 0.13 -0.49 -0.30 0.00 0.04 0.00 0.00 57.07 56.45 3a4i s TYR 295 Cb -0.10 -2.00 -0.05 0.00 -1.04 0.00 0.00 41.96 38.76 3a4i s TYR 295 CO 0.03 -0.20 1.38 0.34 -1.54 0.00 0.00 175.55 175.56 3a4i s ASP 296 N 0.72 6.88 -0.17 4.32 -1.08 -0.30 -4.90 116.67 122.14 3a4i s ASP 296 Ca -0.02 2.07 0.17 0.00 -0.52 0.00 0.00 52.55 54.26 3a4i s ASP 296 Cb -0.15 -2.56 0.49 0.00 -1.46 0.00 0.00 42.92 39.25 3a4i s ASP 296 CO 0.02 -0.70 1.38 2.30 0.52 0.00 0.00 175.17 178.69 3a4i n ILE 297 N 4.66 2.23 -3.73 4.11 -5.35 -1.26 -4.76 119.36 115.26 3a4i n ILE 297 Ca 0.13 -1.95 -0.35 0.00 -0.27 0.00 0.00 62.75 60.31 3a4i n ILE 297 Cb 0.44 -0.26 -0.08 0.00 -1.74 0.00 0.00 39.64 38.00 3a4i n ILE 297 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3a4i s THR 298 N -2.84 5.41 0.84 7.28 2.01 -1.26 -4.79 115.64 122.29 3a4i s THR 298 Ca 0.41 0.19 -0.12 0.00 0.31 0.00 0.00 61.69 62.47 3a4i s THR 298 Cb 0.33 -3.47 0.10 0.00 0.01 0.00 0.00 72.50 69.48 3a4i s THR 298 CO 0.08 0.44 1.19 0.20 -0.69 0.00 0.00 174.62 175.84 3a4i s ASN 299 N 0.36 4.20 -0.27 3.53 0.01 -1.26 -4.16 114.94 117.35 3a4i s ASN 299 Ca 0.08 0.75 -0.00 0.00 -0.71 0.00 0.00 52.86 52.98 3a4i s ASN 299 Cb -0.11 -1.20 0.04 0.00 0.41 0.00 0.00 41.25 40.39 3a4i s ASN 299 CO -0.02 -2.10 -0.06 -0.75 -1.51 0.00 0.00 177.10 172.66 3a4i s LYS 300 N -5.57 2.53 0.97 -0.60 2.20 0.48 -1.43 119.74 118.32 3a4i s LYS 300 Ca 0.64 -1.18 -0.12 0.00 -0.36 0.00 0.00 55.97 54.95 3a4i s LYS 300 Cb -0.11 -3.01 0.17 0.00 -1.51 0.00 0.00 37.83 33.38 3a4i s LYS 300 CO 0.50 -0.52 1.09 -1.25 -0.36 0.00 0.00 175.35 174.81 3a4i s PRO 301 N 1.24 0.66 0.10 4.03 0.04 -1.26 -0.96 135.00 138.85 3a4i s PRO 301 Ca -0.04 0.90 0.26 0.00 0.04 0.00 0.00 61.00 62.16 3a4i s PRO 301 Cb -0.18 -1.73 0.63 0.00 0.04 0.00 0.00 34.50 33.25 3a4i s PRO 301 CO -0.04 -2.67 1.54 -0.35 0.04 0.00 0.00 177.00 175.52 3a4i n PRO 302 N -4.19 0.18 -3.15 0.56 -0.04 -0.99 -4.98 135.00 122.39 3a4i n PRO 302 Ca 0.07 0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.39 3a4i n PRO 302 Cb 0.55 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 3a4i n PRO 302 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a4i s ALA 303 N -3.09 3.82 0.74 0.55 0.00 -0.51 -5.11 121.76 118.15 3a4i s ALA 303 Ca 0.09 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 3a4i s ALA 303 Cb 0.15 -2.06 0.04 0.00 0.00 0.00 0.00 23.12 21.25 3a4i s ALA 303 CO 0.66 -0.25 1.10 0.95 0.00 0.00 0.00 175.76 178.22 3a4i s THR 304 N -2.44 2.81 -0.08 0.00 -4.23 -1.26 -4.14 115.64 106.30 3a4i s THR 304 Ca 0.46 0.18 -0.16 0.00 -1.18 0.00 0.00 61.69 60.99 3a4i s THR 304 Cb -0.10 -3.24 -0.12 0.00 1.34 0.00 0.00 72.50 70.38 3a4i s THR 304 CO 0.36 -0.31 0.59 0.40 -0.54 0.00 0.00 174.62 175.13 3a4i h ILE 305 N -0.77 0.66 -3.81 2.99 2.04 -1.96 -3.46 117.51 113.20 3a4i h ILE 305 Ca -0.45 -1.22 -0.45 0.00 1.00 0.00 0.00 64.86 63.74 3a4i h ILE 305 Cb 1.29 1.16 0.16 0.00 -0.74 0.00 0.00 36.82 38.70 3a4i h ILE 305 CO 0.64 0.19 0.18 -1.61 0.00 0.00 0.00 178.15 177.55 3a4i s GLU 306 N -2.72 0.20 -0.01 2.37 0.41 -1.26 -4.98 118.70 112.70 3a4i s GLU 306 Ca -0.10 0.47 0.18 0.00 -0.41 0.00 0.00 54.97 55.11 3a4i s GLU 306 Cb -0.00 -1.71 -0.22 0.00 -1.78 0.00 0.00 34.13 30.42 3a4i s GLU 306 CO 0.35 -2.88 0.66 1.19 -0.49 0.00 0.00 175.26 174.09 3a4i n PHE 307 N -4.27 0.00 -1.50 1.61 3.72 -1.26 -5.15 117.46 110.60 3a4i n PHE 307 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 3a4i n PHE 307 Cb 0.57 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 3a4i n PHE 307 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10