#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4i s PRO 3 N 0.00 2.95 0.68 0.00 0.04 -1.26 -4.85 135.00 132.56 1a4i s PRO 3 Ca 0.00 -0.01 -0.17 0.00 0.04 0.00 0.00 61.00 60.86 1a4i s PRO 3 Cb 0.00 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 1a4i s PRO 3 CO 0.00 -0.67 0.86 0.00 0.04 0.00 0.00 177.00 177.23 1a4i n ALA 4 N -2.56 -0.42 -1.84 8.56 0.00 0.10 -4.95 120.51 119.41 1a4i n ALA 4 Ca 0.04 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1a4i n ALA 4 Cb 0.57 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 1a4i n ALA 4 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1a4i s GLU 5 N -3.02 4.20 -0.13 0.00 2.56 -0.21 -4.82 118.70 117.28 1a4i s GLU 5 Ca 0.72 2.42 -0.23 0.00 0.00 0.00 0.00 54.97 57.88 1a4i s GLU 5 Cb -0.37 -3.09 -0.03 0.00 2.00 0.00 0.00 34.13 32.65 1a4i s GLU 5 CO 0.51 -0.54 0.73 0.42 -0.56 0.00 0.00 175.26 175.82 1a4i s ILE 6 N 0.28 4.98 -0.73 -3.70 1.01 -1.26 -1.07 121.20 120.71 1a4i s ILE 6 Ca 0.63 1.45 -0.24 0.00 0.00 0.00 0.00 60.65 62.49 1a4i s ILE 6 Cb -0.45 -4.05 0.06 0.00 0.01 0.00 0.00 42.46 38.03 1a4i s ILE 6 CO 0.42 0.14 1.14 -0.76 0.00 0.00 0.00 174.94 175.88 1a4i s LEU 7 N 1.51 3.85 -0.88 2.97 1.43 0.29 -4.92 118.68 122.94 1a4i s LEU 7 Ca 0.36 -0.85 -0.23 0.00 -1.03 0.00 0.00 54.13 52.38 1a4i s LEU 7 Cb -0.17 -2.49 0.06 0.00 0.03 0.00 0.00 46.19 43.63 1a4i s LEU 7 CO 0.14 -1.59 1.27 0.21 0.23 0.00 0.00 176.35 176.61 1a4i s ASN 8 N 3.79 6.39 0.42 2.29 3.84 -1.26 -4.31 114.94 126.11 1a4i s ASN 8 Ca 0.30 -1.26 0.10 0.00 0.21 0.00 0.00 52.86 52.21 1a4i s ASN 8 Cb -0.11 -2.51 0.90 0.00 -0.55 0.00 0.00 41.25 38.98 1a4i s ASN 8 CO 0.10 -1.49 2.00 1.23 -2.79 0.00 0.00 177.10 176.15 1a4i h GLY 9 N 12.15 0.28 0.88 1.21 0.00 -1.41 -0.51 103.07 115.67 1a4i h GLY 9 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1a4i h GLY 9 CO 1.29 0.13 0.05 1.70 0.00 0.00 0.00 176.54 179.71 1a4i h LYS 10 N 0.26 0.18 -0.28 4.80 3.64 -1.74 0.70 116.57 124.13 1a4i h LYS 10 Ca 0.06 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 1a4i h LYS 10 Cb 0.19 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1a4i h LYS 10 CO 0.00 0.27 -0.26 0.93 -2.27 0.00 0.00 179.45 178.13 1a4i h GLU 11 N 0.05 0.67 -0.43 1.90 5.08 -1.75 -1.37 114.58 118.74 1a4i h GLU 11 Ca 0.04 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1a4i h GLU 11 Cb 0.16 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1a4i h GLU 11 CO -0.00 0.95 0.19 0.82 -1.00 0.00 0.00 179.01 179.97 1a4i h ILE 12 N 0.41 1.19 -0.32 3.13 2.04 -1.10 -2.09 117.51 120.77 1a4i h ILE 12 Ca 0.05 -0.57 -0.08 0.00 1.00 0.00 0.00 64.86 65.26 1a4i h ILE 12 Cb 0.82 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1a4i h ILE 12 CO 0.06 0.21 -0.15 0.77 0.00 0.00 0.00 178.15 179.05 1a4i h SER 13 N 0.55 0.55 -0.50 1.72 4.64 -0.82 -1.55 113.55 118.15 1a4i h SER 13 Ca 0.15 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1a4i h SER 13 Cb 0.16 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1a4i h SER 13 CO -0.01 0.73 0.21 0.00 -0.87 0.00 0.00 176.83 176.88 1a4i h ALA 14 N 1.33 1.35 -0.61 5.18 0.00 -0.93 0.88 119.26 126.47 1a4i h ALA 14 Ca 0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1a4i h ALA 14 Cb 0.55 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1a4i h ALA 14 CO 0.04 0.48 0.19 1.96 0.00 0.00 0.00 179.25 181.92 1a4i h GLN 15 N 0.77 0.94 -0.39 0.00 4.20 -0.79 -0.56 115.11 119.28 1a4i h GLN 15 Ca 0.19 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1a4i h GLN 15 Cb 0.16 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1a4i h GLN 15 CO -0.02 0.84 0.10 0.82 -0.67 0.00 0.00 178.83 179.90 1a4i h ILE 16 N 0.87 1.23 -0.73 2.54 2.04 -0.72 -2.25 117.51 120.48 1a4i h ILE 16 Ca 0.20 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 1a4i h ILE 16 Cb 0.28 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1a4i h ILE 16 CO -0.01 0.27 0.32 0.03 0.00 0.00 0.00 178.15 178.77 1a4i h ARG 17 N 0.49 1.05 -0.63 2.37 3.08 -0.66 0.34 114.38 120.42 1a4i h ARG 17 Ca 0.12 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1a4i h ARG 17 Cb 0.30 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1a4i h ARG 17 CO 0.00 0.83 0.28 0.00 -1.07 0.00 0.00 179.97 180.02 1a4i h ALA 18 N 1.31 0.81 -0.38 0.04 0.00 -0.84 -0.47 119.26 119.73 1a4i h ALA 18 Ca 0.25 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1a4i h ALA 18 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1a4i h ALA 18 CO -0.03 0.39 0.23 -0.09 0.00 0.00 0.00 179.25 179.76 1a4i h ARG 19 N 0.86 0.52 -0.84 0.00 2.43 -1.03 -1.99 114.38 114.33 1a4i h ARG 19 Ca 0.21 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1a4i h ARG 19 Cb 0.15 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 1a4i h ARG 19 CO -0.02 0.38 0.46 -0.07 -1.51 0.00 0.00 179.97 179.20 1a4i h LEU 20 N 0.50 1.05 -0.91 3.80 3.38 -0.67 -0.64 115.31 121.82 1a4i h LEU 20 Ca 0.14 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1a4i h LEU 20 Cb -0.01 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 1a4i h LEU 20 CO -0.03 0.84 0.60 0.50 0.09 0.00 0.00 178.44 180.44 1a4i h LYS 21 N 1.17 1.15 -0.17 1.13 3.64 -0.81 0.24 116.57 122.92 1a4i h LYS 21 Ca 0.30 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.45 1a4i h LYS 21 Cb 0.03 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1a4i h LYS 21 CO -0.05 0.76 -0.55 -0.91 -2.27 0.00 0.00 179.45 176.43 1a4i h ASN 22 N 1.19 0.58 -0.57 4.20 -0.26 -0.94 -0.32 115.58 119.45 1a4i h ASN 22 Ca 0.35 -0.31 -0.09 0.00 -0.56 0.00 0.00 56.30 55.69 1a4i h ASN 22 Cb -0.06 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.01 1a4i h ASN 22 CO -0.10 1.01 0.01 1.56 -1.06 0.00 0.00 177.43 178.86 1a4i h GLN 23 N 0.40 1.03 -0.13 0.81 4.20 -0.48 -1.03 115.11 119.90 1a4i h GLN 23 Ca 0.01 -0.31 -0.14 0.00 0.06 0.00 0.00 58.65 58.26 1a4i h GLN 23 Cb 1.09 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 1a4i h GLN 23 CO 0.10 1.00 -0.53 0.28 -0.67 0.00 0.00 178.83 179.01 1a4i h VAL 24 N 0.94 1.34 -0.61 -0.54 2.07 -0.16 -1.45 116.25 117.84 1a4i h VAL 24 Ca 0.17 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 65.88 1a4i h VAL 24 Cb 0.53 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1a4i h VAL 24 CO 0.03 0.54 0.28 0.74 0.02 0.00 0.00 177.57 179.18 1a4i h THR 25 N 0.30 1.22 -0.65 2.57 2.02 -0.80 -0.87 112.91 116.70 1a4i h THR 25 Ca 0.01 -0.64 -0.08 0.00 0.77 0.00 0.00 66.41 66.47 1a4i h THR 25 Cb 1.03 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1a4i h THR 25 CO 0.09 0.26 0.10 1.56 0.37 0.00 0.00 175.52 177.90 1a4i h GLN 26 N 0.83 1.08 -0.66 6.66 4.20 -0.93 -0.68 115.11 125.62 1a4i h GLN 26 Ca 0.21 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1a4i h GLN 26 Cb 0.14 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1a4i h GLN 26 CO -0.02 1.00 0.28 1.25 -0.67 0.00 0.00 178.83 180.66 1a4i h LEU 27 N 1.00 0.87 -1.03 1.46 5.85 -1.02 -0.95 115.31 121.48 1a4i h LEU 27 Ca 0.20 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 1a4i h LEU 27 Cb 0.44 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1a4i h LEU 27 CO 0.01 0.76 -0.46 0.11 -0.34 0.00 0.00 178.44 178.53 1a4i h LYS 28 N 0.94 0.00 0.00 1.25 1.57 -0.65 -1.07 116.57 118.61 1a4i h LYS 28 Ca 0.22 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.88 1a4i h LYS 28 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1a4i h LYS 28 CO -0.02 0.46 -0.58 0.93 -0.57 0.00 0.00 179.45 179.66 1a4i h GLU 29 N 0.00 0.00 0.21 3.15 5.08 0.11 -2.37 114.58 120.76 1a4i h GLU 29 Ca -0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1a4i h GLU 29 Cb 0.86 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.14 1a4i h GLU 29 CO 0.06 0.58 -1.42 1.96 -1.00 0.00 0.00 179.01 179.19 1a4i h GLN 30 N 0.00 0.45 -2.20 2.33 4.20 -0.67 -3.39 115.11 115.83 1a4i h GLN 30 Ca -0.01 -0.78 -0.59 0.00 0.06 0.00 0.00 58.65 57.34 1a4i h GLN 30 Cb 1.24 0.29 -0.41 0.00 0.30 0.00 0.00 27.48 28.90 1a4i h GLN 30 CO 0.08 1.37 -0.82 0.28 -0.67 0.00 0.00 178.83 179.07 1a4i n VAL 31 N -3.65 0.86 -1.62 -0.54 0.31 -0.46 -5.10 118.33 108.13 1a4i n VAL 31 Ca -0.14 -4.60 -0.47 0.00 -0.01 0.00 0.00 64.34 59.12 1a4i n VAL 31 Cb 1.08 -2.02 -0.04 0.00 -0.91 0.00 0.00 33.84 31.95 1a4i n VAL 31 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1a4i n PRO 32 N 1.30 1.57 0.00 5.55 -0.02 -0.89 -0.84 135.00 141.67 1a4i n PRO 32 Ca 0.26 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1a4i n PRO 32 Cb 0.46 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1a4i n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4i n GLY 33 N 2.21 3.16 3.76 -1.23 0.00 -1.26 -5.04 105.19 106.79 1a4i n GLY 33 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1a4i n GLY 33 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a4i s PHE 34 N -2.65 3.41 -0.08 1.61 5.36 -0.02 -5.01 117.98 120.60 1a4i s PHE 34 Ca 0.00 1.55 -0.02 0.00 -0.96 0.00 0.00 56.93 57.50 1a4i s PHE 34 Cb 0.00 -3.42 0.04 0.00 -0.34 0.00 0.00 43.02 39.30 1a4i s PHE 34 CO 0.00 -1.05 0.05 0.95 -1.46 0.00 0.00 175.22 173.70 1a4i s THR 35 N -0.84 0.07 0.33 0.12 -4.23 -1.26 -4.74 115.64 105.09 1a4i s THR 35 Ca 0.48 0.16 -0.29 0.00 -1.18 0.00 0.00 61.69 60.86 1a4i s THR 35 Cb -0.34 -0.40 -0.12 0.00 1.34 0.00 0.00 72.50 72.98 1a4i s THR 35 CO 0.43 0.09 1.49 -2.65 -0.54 0.00 0.00 174.62 173.43 1a4i n PRO 36 N 5.24 2.55 -4.01 3.99 -0.02 -1.26 -4.85 135.00 136.63 1a4i n PRO 36 Ca -0.05 0.90 -0.16 0.00 -2.02 0.00 0.00 63.50 62.17 1a4i n PRO 36 Cb 0.50 -2.62 -0.15 0.00 -0.02 0.00 0.00 33.50 31.20 1a4i n PRO 36 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1a4i s ARG 37 N -1.31 0.31 -0.02 -0.52 3.52 -1.26 -0.98 118.95 118.69 1a4i s ARG 37 Ca 0.59 -0.04 0.07 0.00 -0.13 0.00 0.00 55.73 56.21 1a4i s ARG 37 Cb -0.51 -0.38 -0.02 0.00 -1.56 0.00 0.00 34.95 32.48 1a4i s ARG 37 CO 0.57 -0.02 -0.22 -1.17 -0.81 0.00 0.00 175.30 173.64 1a4i s LEU 38 N 0.40 2.27 0.07 -0.88 2.96 0.07 -1.16 118.68 122.41 1a4i s LEU 38 Ca -0.04 -0.40 0.09 0.00 -0.22 0.00 0.00 54.13 53.57 1a4i s LEU 38 Cb -0.07 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 1a4i s LEU 38 CO -0.01 0.32 -0.26 0.00 -1.32 0.00 0.00 176.35 175.09 1a4i s ALA 39 N -0.67 2.21 -0.12 5.97 0.00 -0.62 -1.01 121.76 127.52 1a4i s ALA 39 Ca 0.11 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.79 1a4i s ALA 39 Cb -0.10 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1a4i s ALA 39 CO -0.00 0.51 -0.16 0.42 0.00 0.00 0.00 175.76 176.53 1a4i s ILE 40 N -0.88 1.58 -0.26 0.00 1.01 0.13 -1.49 121.20 121.28 1a4i s ILE 40 Ca 0.12 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 60.00 1a4i s ILE 40 Cb -0.10 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 1a4i s ILE 40 CO 0.03 0.46 0.10 -0.22 0.00 0.00 0.00 174.94 175.31 1a4i s LEU 41 N 1.09 3.63 0.02 2.97 2.96 -0.24 -0.82 118.68 128.29 1a4i s LEU 41 Ca -0.04 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.74 1a4i s LEU 41 Cb -0.14 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1a4i s LEU 41 CO -0.04 -0.05 -0.17 -1.58 -1.32 0.00 0.00 176.35 173.19 1a4i s GLN 42 N 1.65 2.20 -0.22 1.98 0.74 0.34 -0.82 119.66 125.53 1a4i s GLN 42 Ca 0.06 -0.90 -0.03 0.00 0.05 0.00 0.00 55.36 54.54 1a4i s GLN 42 Cb -0.15 -2.24 -0.00 0.00 1.10 0.00 0.00 33.01 31.71 1a4i s GLN 42 CO 0.05 0.56 -0.05 0.08 -0.55 0.00 0.00 175.29 175.39 1a4i s VAL 43 N -0.88 3.27 0.00 1.34 1.01 -1.26 -0.59 120.40 123.29 1a4i s VAL 43 Ca 0.14 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1a4i s VAL 43 Cb -0.11 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1a4i s VAL 43 CO 0.04 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1a4i n GLY 44 N 4.78 -1.77 2.69 4.51 0.00 0.42 -1.68 105.19 114.14 1a4i n GLY 44 Ca -0.18 -1.84 -0.07 0.00 0.00 0.00 0.00 46.02 43.93 1a4i n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1a4i n ASN 45 N 0.01 -0.57 -4.77 1.61 5.15 -1.26 -4.67 115.26 110.76 1a4i n ASN 45 Ca 0.00 -2.48 -0.41 0.00 -0.60 0.00 0.00 54.58 51.09 1a4i n ASN 45 Cb 0.00 0.39 -0.02 0.00 -0.53 0.00 0.00 39.78 39.62 1a4i n ASN 45 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1a4i s ARG 46 N -1.12 4.36 0.27 1.20 0.52 -1.26 -4.92 118.95 118.01 1a4i s ARG 46 Ca 0.22 2.19 -0.03 0.00 -0.52 0.00 0.00 55.73 57.60 1a4i s ARG 46 Cb 0.42 -3.09 0.36 0.00 0.52 0.00 0.00 34.95 33.17 1a4i s ARG 46 CO -0.05 -0.19 1.91 -0.44 0.02 0.00 0.00 175.30 176.55 1a4i h ASP 47 N 3.63 0.98 -0.34 0.23 3.32 -1.99 -1.25 116.42 120.99 1a4i h ASP 47 Ca -0.48 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.43 1a4i h ASP 47 Cb 1.22 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1a4i h ASP 47 CO 0.67 0.77 -0.04 -2.24 -1.72 0.00 0.00 179.24 176.68 1a4i h ASP 48 N 1.11 0.63 -0.79 6.45 3.04 -2.00 -1.92 116.42 122.94 1a4i h ASP 48 Ca 0.29 -0.33 -0.05 0.00 -3.24 0.00 0.00 57.03 53.69 1a4i h ASP 48 Cb -0.01 -0.17 -0.03 0.00 -1.04 0.00 0.00 39.33 38.08 1a4i h ASP 48 CO -0.05 0.81 0.30 0.28 -2.04 0.00 0.00 179.24 178.55 1a4i h SER 49 N 0.43 1.09 -1.00 4.15 0.02 -1.90 -0.63 113.55 115.71 1a4i h SER 49 Ca 0.09 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1a4i h SER 49 Cb 0.51 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 1a4i h SER 49 CO 0.02 0.97 0.66 0.78 -1.14 0.00 0.00 176.83 178.13 1a4i h ASN 50 N 1.15 1.15 -0.37 3.07 2.35 -0.94 0.14 115.58 122.13 1a4i h ASN 50 Ca 0.26 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 1a4i h ASN 50 Cb 0.23 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1a4i h ASN 50 CO -0.02 0.83 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.49 1a4i h LEU 51 N 1.35 0.66 -0.89 1.61 3.38 -0.64 -0.89 115.31 119.89 1a4i h LEU 51 Ca 0.37 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1a4i h LEU 51 Cb -0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 1a4i h LEU 51 CO -0.08 0.82 -0.03 1.88 0.09 0.00 0.00 178.44 181.12 1a4i h TYR 52 N 0.47 0.85 -0.61 1.13 0.05 -0.88 -1.69 116.97 116.29 1a4i h TYR 52 Ca 0.10 -0.13 -0.10 0.00 0.05 0.00 0.00 58.73 58.65 1a4i h TYR 52 Cb 0.50 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 1a4i h TYR 52 CO 0.04 0.80 0.00 0.82 -1.05 0.00 0.00 178.16 178.77 1a4i h ILE 53 N 0.73 1.27 -0.48 -2.88 2.04 -0.83 -1.93 117.51 115.43 1a4i h ILE 53 Ca 0.14 -1.16 -0.04 0.00 1.00 0.00 0.00 64.86 64.80 1a4i h ILE 53 Cb 0.49 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1a4i h ILE 53 CO 0.02 0.42 0.12 0.78 0.00 0.00 0.00 178.15 179.50 1a4i h ASN 54 N 0.98 0.66 -0.46 1.72 2.35 -0.54 0.31 115.58 120.61 1a4i h ASN 54 Ca 0.17 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1a4i h ASN 54 Cb 0.56 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1a4i h ASN 54 CO 0.03 0.65 0.18 0.58 -1.65 0.00 0.00 177.43 177.22 1a4i h VAL 55 N 0.70 1.21 -0.73 2.81 2.07 -1.04 -0.68 116.25 120.58 1a4i h VAL 55 Ca 0.16 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1a4i h VAL 55 Cb 0.25 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1a4i h VAL 55 CO -0.00 0.24 0.38 0.11 0.02 0.00 0.00 177.57 178.31 1a4i h LYS 56 N 0.60 1.03 -0.17 1.57 1.57 -0.51 -1.00 116.57 119.66 1a4i h LYS 56 Ca 0.15 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1a4i h LYS 56 Cb 0.20 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1a4i h LYS 56 CO -0.01 0.79 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.21 1a4i h LEU 57 N 1.01 0.38 -0.30 2.94 3.38 -0.06 -1.38 115.31 121.29 1a4i h LEU 57 Ca 0.25 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1a4i h LEU 57 Cb 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1a4i h LEU 57 CO -0.04 0.73 -0.03 0.50 0.09 0.00 0.00 178.44 179.70 1a4i h LYS 58 N 0.31 0.54 -0.60 1.13 3.64 -0.80 -1.35 116.57 119.44 1a4i h LYS 58 Ca 0.03 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 1a4i h LYS 58 Cb 0.81 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 1a4i h LYS 58 CO 0.06 0.71 0.20 0.00 -2.27 0.00 0.00 179.45 178.16 1a4i h ALA 59 N 0.82 0.79 -0.18 5.00 0.00 -1.00 -2.01 119.26 122.67 1a4i h ALA 59 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a4i h ALA 59 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1a4i h ALA 59 CO 0.02 0.44 0.11 0.00 0.00 0.00 0.00 179.25 179.82 1a4i h ALA 60 N 1.07 0.23 -0.93 0.00 0.00 -1.11 -2.14 119.26 116.37 1a4i h ALA 60 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1a4i h ALA 60 Cb 0.26 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1a4i h ALA 60 CO -0.01 -0.28 0.58 1.49 0.00 0.00 0.00 179.25 181.04 1a4i h GLU 61 N 0.23 1.26 -0.59 0.00 4.81 -1.04 0.34 114.58 119.59 1a4i h GLU 61 Ca 0.07 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1a4i h GLU 61 Cb -0.00 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.08 1a4i h GLU 61 CO -0.01 0.86 0.21 0.93 -0.73 0.00 0.00 179.01 180.27 1a4i h GLU 62 N 1.28 0.86 0.00 1.92 5.08 -1.10 -2.36 114.58 120.27 1a4i h GLU 62 Ca 0.34 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1a4i h GLU 62 Cb -0.09 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1a4i h GLU 62 CO -0.07 0.73 -0.25 0.82 -1.00 0.00 0.00 179.01 179.24 1a4i h ILE 63 N 0.85 0.00 0.00 3.13 2.04 -0.77 -3.47 117.51 119.29 1a4i h ILE 63 Ca 0.20 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1a4i h ILE 63 Cb 0.20 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1a4i h ILE 63 CO -0.01 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.75 1a4i n GLY 64 N 1.16 1.13 3.78 5.37 0.00 -0.57 -4.35 105.19 111.71 1a4i n GLY 64 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1a4i n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a4i s ILE 65 N -2.00 4.97 0.02 -0.61 1.01 0.00 -4.66 121.20 119.93 1a4i s ILE 65 Ca 0.00 1.06 -0.30 0.00 0.00 0.00 0.00 60.65 61.41 1a4i s ILE 65 Cb 0.00 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1a4i s ILE 65 CO 0.00 0.47 0.99 -0.75 0.00 0.00 0.00 174.94 175.65 1a4i s LYS 66 N -0.43 4.57 -0.06 2.79 2.20 -0.15 -3.85 119.74 124.81 1a4i s LYS 66 Ca 0.27 1.45 0.02 0.00 -0.36 0.00 0.00 55.97 57.35 1a4i s LYS 66 Cb -0.17 -3.44 0.01 0.00 -1.51 0.00 0.00 37.83 32.72 1a4i s LYS 66 CO 0.15 -0.03 -0.11 0.00 -0.36 0.00 0.00 175.35 174.99 1a4i s ALA 67 N 0.90 1.17 -0.11 3.13 0.00 -1.26 -0.75 121.76 124.85 1a4i s ALA 67 Ca 0.52 -0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.09 1a4i s ALA 67 Cb -0.22 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1a4i s ALA 67 CO 0.28 0.11 -0.08 0.99 0.00 0.00 0.00 175.76 177.06 1a4i s THR 68 N 0.61 3.51 -0.20 0.00 2.01 -0.18 -4.99 115.64 116.40 1a4i s THR 68 Ca -0.13 -0.52 -0.03 0.00 0.31 0.00 0.00 61.69 61.32 1a4i s THR 68 Cb -0.15 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 1a4i s THR 68 CO 0.03 0.55 -0.06 -2.28 -0.69 0.00 0.00 174.62 172.17 1a4i s HIS 69 N -0.15 2.94 -0.17 4.92 2.46 -1.26 -0.70 115.29 123.34 1a4i s HIS 69 Ca 0.01 -0.84 -0.04 0.00 0.47 0.00 0.00 55.06 54.66 1a4i s HIS 69 Cb -0.13 -2.05 -0.03 0.00 -0.13 0.00 0.00 32.58 30.24 1a4i s HIS 69 CO 0.03 -0.45 -0.03 0.42 -2.47 0.00 0.00 174.74 172.25 1a4i s ILE 70 N 1.18 3.93 -0.26 0.89 1.01 0.00 -4.98 121.20 122.97 1a4i s ILE 70 Ca 0.02 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.36 1a4i s ILE 70 Cb -0.14 -2.74 0.06 0.00 0.01 0.00 0.00 42.46 39.65 1a4i s ILE 70 CO -0.01 0.48 -0.10 -0.75 0.00 0.00 0.00 174.94 174.55 1a4i s LYS 71 N 0.53 2.21 0.24 2.79 2.20 -1.26 -0.50 119.74 125.95 1a4i s LYS 71 Ca -0.02 -1.37 -0.06 0.00 -0.36 0.00 0.00 55.97 54.16 1a4i s LYS 71 Cb -0.14 -2.90 -0.06 0.00 -1.51 0.00 0.00 37.83 33.22 1a4i s LYS 71 CO 0.02 -0.58 0.51 -0.51 -0.36 0.00 0.00 175.35 174.44 1a4i s LEU 72 N 1.09 4.14 0.93 5.43 1.43 0.25 -4.95 118.68 127.00 1a4i s LEU 72 Ca -0.08 0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 53.64 1a4i s LEU 72 Cb -0.20 -3.53 0.15 0.00 0.03 0.00 0.00 46.19 42.64 1a4i s LEU 72 CO -0.05 -0.10 1.10 -2.16 0.23 0.00 0.00 176.35 175.37 1a4i s PRO 73 N -3.13 1.00 0.08 1.29 0.04 -1.26 -0.44 135.00 132.58 1a4i s PRO 73 Ca 0.44 0.53 0.16 0.00 0.04 0.00 0.00 61.00 62.17 1a4i s PRO 73 Cb -0.11 -1.80 0.68 0.00 0.04 0.00 0.00 34.50 33.30 1a4i s PRO 73 CO 0.26 -2.35 1.49 0.54 0.04 0.00 0.00 177.00 176.98 1a4i n ARG 74 N -3.91 0.06 0.00 4.56 1.74 -1.26 -1.76 116.66 116.09 1a4i n ARG 74 Ca 0.06 0.34 0.15 0.00 -0.77 0.00 0.00 57.85 57.63 1a4i n ARG 74 Cb 0.57 -1.62 0.66 0.00 -1.02 0.00 0.00 32.46 31.05 1a4i n ARG 74 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1a4i n THR 75 N -1.73 0.00 -1.78 0.55 -2.24 -1.26 -0.77 114.28 107.04 1a4i n THR 75 Ca 0.03 -0.14 -0.40 0.00 -2.27 0.00 0.00 64.05 61.26 1a4i n THR 75 Cb 0.16 0.11 0.01 0.00 -2.10 0.00 0.00 70.33 68.52 1a4i n THR 75 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1a4i s THR 76 N -2.08 2.02 0.31 4.28 2.01 -0.72 -4.85 115.64 116.62 1a4i s THR 76 Ca 0.39 0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.49 1a4i s THR 76 Cb 0.21 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1a4i s THR 76 CO 0.37 0.00 0.31 0.42 -0.69 0.00 0.00 174.62 175.04 1a4i s THR 77 N -1.17 4.00 0.25 -0.82 -4.23 -1.26 -4.45 115.64 107.97 1a4i s THR 77 Ca 0.58 -1.27 -0.05 0.00 -1.18 0.00 0.00 61.69 59.78 1a4i s THR 77 Cb -0.45 -3.34 0.25 0.00 1.34 0.00 0.00 72.50 70.30 1a4i s THR 77 CO 0.60 -0.22 1.90 -0.08 -0.54 0.00 0.00 174.62 176.27 1a4i h GLU 78 N 1.22 1.18 -0.85 3.99 4.81 -1.95 -0.52 114.58 122.47 1a4i h GLU 78 Ca -0.46 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1a4i h GLU 78 Cb 1.25 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 1a4i h GLU 78 CO 0.58 0.78 0.45 1.03 -0.73 0.00 0.00 179.01 181.12 1a4i h SER 79 N 1.21 1.07 -0.47 1.04 0.87 -1.97 -0.81 113.55 114.50 1a4i h SER 79 Ca 0.39 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.77 1a4i h SER 79 Cb 0.02 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 1a4i h SER 79 CO -0.13 0.87 0.03 -0.33 -0.53 0.00 0.00 176.83 176.74 1a4i h GLU 80 N 1.19 0.82 -1.00 2.24 5.08 -1.82 -2.15 114.58 118.94 1a4i h GLU 80 Ca 0.30 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1a4i h GLU 80 Cb 0.05 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1a4i h GLU 80 CO -0.05 0.85 0.66 0.28 -1.00 0.00 0.00 179.01 179.76 1a4i h VAL 81 N 0.68 1.25 -0.32 3.13 2.07 -0.67 -2.39 116.25 119.99 1a4i h VAL 81 Ca 0.14 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1a4i h VAL 81 Cb 0.47 -0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1a4i h VAL 81 CO 0.02 0.25 0.09 0.24 0.02 0.00 0.00 177.57 178.19 1a4i h MET 82 N 1.35 0.46 -0.47 1.57 2.86 -0.85 -1.02 114.93 118.83 1a4i h MET 82 Ca 0.37 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.93 1a4i h MET 82 Cb -0.14 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.41 1a4i h MET 82 CO -0.08 0.42 0.21 0.87 1.06 0.00 0.00 176.91 179.38 1a4i h LYS 83 N 0.46 0.69 -0.33 1.72 1.79 -0.87 -0.17 116.57 119.85 1a4i h LYS 83 Ca 0.11 -0.11 -0.11 0.00 -2.18 0.00 0.00 60.65 58.35 1a4i h LYS 83 Cb 0.16 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1a4i h LYS 83 CO -0.01 0.60 -0.26 1.88 -1.08 0.00 0.00 179.45 180.58 1a4i h TYR 84 N 0.62 0.77 -0.62 -1.35 -1.99 -1.15 -0.94 116.97 112.32 1a4i h TYR 84 Ca 0.16 -0.18 -0.04 0.00 2.00 0.00 0.00 58.73 60.67 1a4i h TYR 84 Cb 0.15 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.67 1a4i h TYR 84 CO -0.00 0.87 0.25 0.82 -0.00 0.00 0.00 178.16 180.10 1a4i h ILE 85 N 0.59 1.23 -0.73 -2.88 2.04 -0.80 -0.63 117.51 116.33 1a4i h ILE 85 Ca 0.08 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1a4i h ILE 85 Cb 0.75 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1a4i h ILE 85 CO 0.06 0.28 0.46 0.74 0.00 0.00 0.00 178.15 179.69 1a4i h THR 86 N 0.87 1.20 -0.79 -0.27 2.02 -0.90 0.62 112.91 115.66 1a4i h THR 86 Ca 0.21 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1a4i h THR 86 Cb 0.21 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 1a4i h THR 86 CO -0.02 0.20 0.42 0.28 0.37 0.00 0.00 175.52 176.78 1a4i h SER 87 N 1.00 0.99 0.05 4.18 0.02 -0.48 -1.33 113.55 117.97 1a4i h SER 87 Ca 0.26 -0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 60.97 1a4i h SER 87 Cb -0.06 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 1a4i h SER 87 CO -0.05 0.81 -0.45 -0.07 -1.14 0.00 0.00 176.83 175.93 1a4i h LEU 88 N 1.09 0.52 -1.03 5.07 3.38 -0.61 -0.92 115.31 122.82 1a4i h LEU 88 Ca 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1a4i h LEU 88 Cb 0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1a4i h LEU 88 CO -0.04 0.90 0.30 0.78 0.09 0.00 0.00 178.44 180.47 1a4i h ASN 89 N 0.39 0.91 0.47 -0.43 2.35 -0.41 -3.02 115.58 115.84 1a4i h ASN 89 Ca 0.03 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1a4i h ASN 89 Cb 0.95 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1a4i h ASN 89 CO 0.08 0.79 -0.45 -0.62 -1.65 0.00 0.00 177.43 175.58 1a4i n GLU 90 N -4.32 0.13 -2.61 0.81 1.02 -0.55 -4.77 120.64 110.36 1a4i n GLU 90 Ca 0.06 -0.08 -0.43 0.00 -0.02 0.00 0.00 57.16 56.70 1a4i n GLU 90 Cb 0.16 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 1a4i n GLU 90 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1a4i s ASP 91 N -2.92 6.52 0.57 1.62 -1.08 -0.37 -4.90 116.67 116.11 1a4i s ASP 91 Ca 0.13 0.24 0.25 0.00 -0.52 0.00 0.00 52.55 52.65 1a4i s ASP 91 Cb 0.18 -2.54 1.63 0.00 -1.46 0.00 0.00 42.92 40.72 1a4i s ASP 91 CO 0.67 -1.36 2.20 0.77 0.52 0.00 0.00 175.17 177.97 1a4i h SER 92 N 9.39 0.00 1.35 -0.34 4.64 -1.87 -0.86 113.55 125.86 1a4i h SER 92 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1a4i h SER 92 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1a4i h SER 92 CO 1.15 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.46 1a4i n THR 93 N -4.07 0.63 -3.46 2.95 -2.24 -1.26 -4.71 114.28 102.12 1a4i n THR 93 Ca -0.02 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.16 1a4i n THR 93 Cb 0.12 -0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 67.57 1a4i n THR 93 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1a4i s VAL 94 N -3.14 5.22 -0.03 2.28 1.01 -0.33 -4.41 120.40 121.00 1a4i s VAL 94 Ca 0.10 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 1a4i s VAL 94 Cb 0.12 -3.72 -0.26 0.00 0.00 0.00 0.00 36.38 32.52 1a4i s VAL 94 CO 0.56 0.05 0.70 0.45 0.00 0.00 0.00 175.10 176.87 1a4i h HIS 95 N 8.38 0.36 -3.48 5.22 3.86 -1.42 -3.47 115.15 124.60 1a4i h HIS 95 Ca -0.31 -0.26 -0.14 0.00 -1.16 0.00 0.00 60.37 58.49 1a4i h HIS 95 Cb 1.16 -0.01 -0.20 0.00 1.06 0.00 0.00 27.41 29.41 1a4i h HIS 95 CO 0.72 1.40 -0.47 0.20 0.86 0.00 0.00 177.93 180.63 1a4i s GLY 96 N -5.14 0.03 0.18 2.45 0.00 -1.06 -4.33 107.32 99.47 1a4i s GLY 96 Ca -0.11 -0.12 -0.13 0.00 0.00 0.00 0.00 44.72 44.36 1a4i s GLY 96 CO 0.83 -0.26 0.40 -0.11 0.00 0.00 0.00 173.10 173.95 1a4i s PHE 97 N -1.46 0.18 0.08 1.90 -0.71 -0.18 -1.58 117.98 116.21 1a4i s PHE 97 Ca -0.14 -0.54 -0.09 0.00 -1.04 0.00 0.00 56.93 55.12 1a4i s PHE 97 Cb -0.07 0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.89 1a4i s PHE 97 CO 0.01 -0.82 0.19 -0.48 -1.34 0.00 0.00 175.22 172.79 1a4i s LEU 98 N -2.93 1.39 -0.25 -1.99 0.05 -0.56 -3.70 118.68 110.69 1a4i s LEU 98 Ca 0.14 -0.58 -0.10 0.00 0.05 0.00 0.00 54.13 53.65 1a4i s LEU 98 Cb 0.01 1.03 -0.04 0.00 -2.05 0.00 0.00 46.19 45.14 1a4i s LEU 98 CO -0.00 -0.69 0.14 -0.69 -0.55 0.00 0.00 176.35 174.55 1a4i s VAL 99 N -3.57 5.00 0.12 1.48 1.01 -1.26 -1.08 120.40 122.10 1a4i s VAL 99 Ca 0.03 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 1a4i s VAL 99 Cb 0.04 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 33.00 1a4i s VAL 99 CO -0.09 0.32 1.18 -1.58 0.00 0.00 0.00 175.10 174.93 1a4i s GLN 100 N 1.42 4.48 0.10 2.72 2.00 -0.00 -4.95 119.66 125.42 1a4i s GLN 100 Ca 0.06 1.80 0.07 0.00 -2.00 0.00 0.00 55.36 55.29 1a4i s GLN 100 Cb -0.15 -3.30 -0.04 0.00 0.80 0.00 0.00 33.01 30.32 1a4i s GLN 100 CO 0.06 -0.15 -0.09 -0.51 -0.50 0.00 0.00 175.29 174.10 1a4i s LEU 101 N 0.42 3.06 0.51 3.68 1.43 -1.26 -4.22 118.68 122.30 1a4i s LEU 101 Ca 0.55 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 1a4i s LEU 101 Cb -0.31 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.01 1a4i s LEU 101 CO 0.32 0.18 0.90 -2.16 0.23 0.00 0.00 176.35 175.83 1a4i s PRO 102 N -2.17 3.74 0.31 1.29 0.04 -1.26 -4.99 135.00 131.96 1a4i s PRO 102 Ca 0.21 0.64 -0.29 0.00 0.04 0.00 0.00 61.00 61.61 1a4i s PRO 102 Cb -0.11 -2.23 -0.10 0.00 0.04 0.00 0.00 34.50 32.10 1a4i s PRO 102 CO 0.14 -0.27 1.21 -0.51 0.04 0.00 0.00 177.00 177.61 1a4i s LEU 103 N -4.41 4.48 -0.65 -3.56 1.43 -1.26 -4.87 118.68 109.84 1a4i s LEU 103 Ca 0.54 2.50 0.02 0.00 -1.03 0.00 0.00 54.13 56.16 1a4i s LEU 103 Cb -0.10 -3.64 0.16 0.00 0.03 0.00 0.00 46.19 42.64 1a4i s LEU 103 CO 0.40 -0.36 0.45 -0.62 0.23 0.00 0.00 176.35 176.44 1a4i s ASP 104 N -0.66 4.92 0.12 2.29 2.15 -0.68 -5.04 116.67 119.78 1a4i s ASP 104 Ca 0.47 -3.33 0.06 0.00 0.43 0.00 0.00 52.55 50.18 1a4i s ASP 104 Cb -0.36 -1.73 -0.04 0.00 -0.30 0.00 0.00 42.92 40.49 1a4i s ASP 104 CO 0.48 -0.21 -0.14 -0.55 -0.17 0.00 0.00 175.17 174.57 1a4i s SER 105 N -0.39 2.02 0.46 -0.34 0.15 -1.26 -3.32 113.70 111.02 1a4i s SER 105 Ca 0.21 -0.82 0.29 0.00 0.70 0.00 0.00 55.95 56.33 1a4i s SER 105 Cb -0.16 -0.07 1.01 0.00 -1.71 0.00 0.00 66.02 65.09 1a4i s SER 105 CO -0.07 -0.14 1.84 1.05 1.20 0.00 0.00 173.24 177.11 1a4i h GLU 106 N 3.49 0.00 -6.16 5.44 4.11 -1.24 -3.45 114.58 116.78 1a4i h GLU 106 Ca -0.40 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.52 1a4i h GLU 106 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1a4i h GLU 106 CO 0.51 0.00 -0.41 -0.80 0.07 0.00 0.00 179.01 178.37 1a4i s ASN 107 N -5.55 6.34 -0.05 3.06 0.01 -1.26 -5.07 114.94 112.42 1a4i s ASN 107 Ca 0.04 0.19 -0.30 0.00 -0.71 0.00 0.00 52.86 52.08 1a4i s ASN 107 Cb 0.08 -1.92 -0.04 0.00 0.41 0.00 0.00 41.25 39.79 1a4i s ASN 107 CO 0.56 -0.03 1.24 -0.44 -1.51 0.00 0.00 177.10 176.93 1a4i s SER 108 N -3.54 7.00 -0.08 -1.22 0.01 -1.26 -4.99 113.70 109.63 1a4i s SER 108 Ca 0.35 1.87 0.02 0.00 1.31 0.00 0.00 55.95 59.50 1a4i s SER 108 Cb -0.10 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.59 1a4i s SER 108 CO 0.29 -0.62 -0.11 -0.63 0.41 0.00 0.00 173.24 172.58 1a4i s ILE 109 N 2.32 1.08 -0.55 1.44 1.01 -1.26 -4.56 121.20 120.68 1a4i s ILE 109 Ca 0.57 -0.42 -0.28 0.00 0.00 0.00 0.00 60.65 60.53 1a4i s ILE 109 Cb -0.26 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.21 1a4i s ILE 109 CO 0.22 0.35 1.29 0.21 0.00 0.00 0.00 174.94 177.01 1a4i s ASN 110 N 0.94 6.34 0.25 3.58 3.84 -1.26 -4.89 114.94 123.74 1a4i s ASN 110 Ca -0.09 0.27 -0.05 0.00 0.21 0.00 0.00 52.86 53.19 1a4i s ASN 110 Cb -0.15 -2.55 0.27 0.00 -0.55 0.00 0.00 41.25 38.28 1a4i s ASN 110 CO 0.00 -1.54 1.90 0.74 -2.79 0.00 0.00 177.10 175.41 1a4i h THR 111 N 6.27 1.25 -0.74 -5.21 2.02 -2.00 -1.86 112.91 112.65 1a4i h THR 111 Ca -0.26 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 1a4i h THR 111 Cb 1.07 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1a4i h THR 111 CO 1.17 0.27 0.38 -0.08 0.37 0.00 0.00 175.52 177.62 1a4i h GLU 112 N 1.26 1.05 -0.64 6.66 4.81 -1.99 -0.16 114.58 125.57 1a4i h GLU 112 Ca 0.33 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1a4i h GLU 112 Cb -0.05 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 1a4i h GLU 112 CO -0.06 0.81 0.23 0.93 -0.73 0.00 0.00 179.01 180.18 1a4i h GLU 113 N 1.03 0.97 -0.17 1.92 5.08 -1.83 0.25 114.58 121.83 1a4i h GLU 113 Ca 0.26 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1a4i h GLU 113 Cb 0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1a4i h GLU 113 CO -0.04 0.84 0.05 0.28 -1.00 0.00 0.00 179.01 179.14 1a4i h VAL 114 N 0.91 1.18 -1.01 3.13 2.07 -1.06 -2.53 116.25 118.95 1a4i h VAL 114 Ca 0.21 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1a4i h VAL 114 Cb 0.25 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1a4i h VAL 114 CO -0.01 0.17 0.67 0.40 0.02 0.00 0.00 177.57 178.82 1a4i h ILE 115 N 0.10 1.26 0.00 4.57 1.08 -0.92 -2.17 117.51 121.43 1a4i h ILE 115 Ca 0.05 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1a4i h ILE 115 Cb 0.22 -0.22 0.00 0.00 -3.07 0.00 0.00 36.82 33.74 1a4i h ILE 115 CO -0.00 0.25 0.00 0.59 -0.69 0.00 0.00 178.15 178.30 1a4i n ASN 116 N -4.38 0.00 0.06 1.72 3.02 0.07 -1.42 115.26 114.32 1a4i n ASN 116 Ca 0.12 -0.45 0.13 0.00 -0.03 0.00 0.00 54.58 54.35 1a4i n ASN 116 Cb 0.01 -0.15 0.37 0.00 -0.61 0.00 0.00 39.78 39.40 1a4i n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a4i n ALA 117 N -1.15 2.63 -2.10 5.41 0.00 -0.82 -4.84 120.51 119.64 1a4i n ALA 117 Ca 0.16 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 1a4i n ALA 117 Cb 0.15 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 1a4i n ALA 117 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1a4i s ILE 118 N -3.08 3.63 0.25 0.00 1.01 -0.51 -4.86 121.20 117.65 1a4i s ILE 118 Ca 0.10 1.34 -0.31 0.00 0.00 0.00 0.00 60.65 61.78 1a4i s ILE 118 Cb 0.15 -3.85 -0.11 0.00 0.01 0.00 0.00 42.46 38.65 1a4i s ILE 118 CO 0.63 0.20 1.59 0.00 0.00 0.00 0.00 174.94 177.36 1a4i s ALA 119 N 0.12 3.77 0.48 9.38 0.00 -1.26 -4.86 121.76 129.39 1a4i s ALA 119 Ca 0.54 1.52 0.19 0.00 0.00 0.00 0.00 51.96 54.21 1a4i s ALA 119 Cb -0.32 -3.64 1.27 0.00 0.00 0.00 0.00 23.12 20.43 1a4i s ALA 119 CO 0.35 -0.91 2.09 -1.00 0.00 0.00 0.00 175.76 176.29 1a4i h PRO 120 N 5.49 0.00 0.00 0.00 0.13 -1.95 -0.31 132.00 135.36 1a4i h PRO 120 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1a4i h PRO 120 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1a4i h PRO 120 CO 0.84 0.10 -0.14 0.93 -0.23 0.00 0.00 178.00 179.49 1a4i h GLU 121 N 0.00 0.00 -0.23 0.86 3.07 -1.95 -2.57 114.58 113.76 1a4i h GLU 121 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1a4i h GLU 121 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1a4i h GLU 121 CO 0.01 0.14 0.00 1.63 -1.40 0.00 0.00 179.01 179.40 1a4i n LYS 122 N -3.40 1.98 -2.08 2.33 5.02 -0.18 -4.85 118.16 116.97 1a4i n LYS 122 Ca -0.01 -1.87 -0.42 0.00 -2.02 0.00 0.00 58.31 53.99 1a4i n LYS 122 Cb 0.33 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1a4i n LYS 122 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1a4i n ASP 123 N 1.04 4.38 0.12 4.39 2.03 -0.85 -1.01 116.55 126.65 1a4i n ASP 123 Ca 0.13 -2.91 0.12 0.00 0.52 0.00 0.00 54.79 52.65 1a4i n ASP 123 Cb 0.48 -1.64 0.47 0.00 -0.72 0.00 0.00 41.12 39.70 1a4i n ASP 123 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1a4i n VAL 124 N 5.04 0.78 1.26 5.18 0.24 -1.24 -0.60 118.33 128.99 1a4i n VAL 124 Ca 0.48 0.13 0.14 0.00 -2.04 0.00 0.00 64.34 63.05 1a4i n VAL 124 Cb 0.40 -1.03 0.55 0.00 -1.47 0.00 0.00 33.84 32.29 1a4i n VAL 124 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1a4i n ASP 125 N -2.21 0.39 -1.80 -1.34 8.00 -1.26 -4.75 116.55 113.58 1a4i n ASP 125 Ca 0.03 -0.32 -0.16 0.00 0.71 0.00 0.00 54.79 55.05 1a4i n ASP 125 Cb 0.27 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.26 1a4i n ASP 125 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a4i n GLY 126 N 1.36 -0.27 0.13 0.44 0.00 0.23 -3.77 105.19 103.31 1a4i n GLY 126 Ca 0.12 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.01 1a4i n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a4i n LEU 127 N -2.27 1.24 -4.72 0.99 4.77 -1.26 -4.27 117.00 111.48 1a4i n LEU 127 Ca -0.18 -0.57 -0.33 0.00 -0.03 0.00 0.00 56.01 54.89 1a4i n LEU 127 Cb 0.64 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.83 1a4i n LEU 127 CO 0.22 0.28 0.77 0.42 -1.33 0.00 0.00 177.39 177.74 1a4i s THR 128 N -2.77 2.39 0.38 -5.08 -4.23 -1.26 -4.80 115.64 100.26 1a4i s THR 128 Ca 0.10 0.17 0.10 0.00 -1.18 0.00 0.00 61.69 60.88 1a4i s THR 128 Cb 0.16 -2.63 0.14 0.00 1.34 0.00 0.00 72.50 71.51 1a4i s THR 128 CO 0.75 -0.12 1.88 0.28 -0.54 0.00 0.00 174.62 176.88 1a4i h SER 129 N -0.64 0.19 -0.17 3.99 0.02 -1.92 0.37 113.55 115.39 1a4i h SER 129 Ca -0.46 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1a4i h SER 129 Cb 1.28 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1a4i h SER 129 CO 0.48 0.40 0.10 0.40 -1.14 0.00 0.00 176.83 177.08 1a4i h ILE 130 N 0.19 1.09 -0.35 3.27 2.04 -1.97 0.35 117.51 122.12 1a4i h ILE 130 Ca 0.03 -0.24 -0.13 0.00 1.00 0.00 0.00 64.86 65.52 1a4i h ILE 130 Cb 0.46 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1a4i h ILE 130 CO 0.03 0.09 -0.31 0.78 0.00 0.00 0.00 178.15 178.74 1a4i h ASN 131 N 0.19 0.78 -0.53 1.72 2.35 -1.72 -2.42 115.58 115.94 1a4i h ASN 131 Ca 0.06 -0.32 -0.09 0.00 -0.55 0.00 0.00 56.30 55.41 1a4i h ASN 131 Cb 0.05 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1a4i h ASN 131 CO -0.01 1.03 -0.01 0.00 -1.65 0.00 0.00 177.43 176.79 1a4i h ALA 132 N 1.02 0.92 0.00 -0.83 0.00 -0.70 -1.87 119.26 117.79 1a4i h ALA 132 Ca 0.07 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1a4i h ALA 132 Cb 0.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1a4i h ALA 132 CO 0.07 0.64 -0.43 0.78 0.00 0.00 0.00 179.25 180.31 1a4i h GLY 133 N 0.99 0.00 0.50 0.00 0.00 -0.18 0.17 103.07 104.57 1a4i h GLY 133 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 1a4i h GLY 133 CO 0.03 0.00 -0.00 3.21 0.00 0.00 0.00 176.54 179.77 1a4i h ARG 134 N 0.00 0.01 -0.62 4.80 3.08 -1.19 -2.86 114.38 117.61 1a4i h ARG 134 Ca -0.00 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1a4i h ARG 134 Cb 0.85 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 1a4i h ARG 134 CO 0.06 0.51 0.40 1.25 -1.07 0.00 0.00 179.97 181.11 1a4i h LEU 135 N -0.49 0.67 -2.04 3.04 5.85 -1.20 0.99 115.31 122.14 1a4i h LEU 135 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1a4i h LEU 135 Cb 0.51 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1a4i h LEU 135 CO 0.00 0.48 -0.06 0.00 -0.34 0.00 0.00 178.44 178.52 1a4i h ALA 136 N 1.24 1.11 -0.46 1.25 0.00 -0.68 -2.24 119.26 119.48 1a4i h ALA 136 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1a4i h ALA 136 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1a4i h ALA 136 CO -0.07 0.07 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1a4i n ARG 137 N -3.32 2.83 -0.69 0.00 5.12 -1.04 -4.99 116.66 114.56 1a4i n ARG 137 Ca -0.01 -2.23 0.00 0.00 -1.93 0.00 0.00 57.85 53.67 1a4i n ARG 137 Cb 0.22 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 1a4i n ARG 137 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1a4i n GLY 138 N 0.86 0.64 3.41 -0.13 0.00 -0.84 -5.00 105.19 104.12 1a4i n GLY 138 Ca 0.15 -0.12 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 1a4i n GLY 138 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a4i s ASP 139 N -2.11 6.77 0.00 1.61 1.01 0.30 -4.86 116.67 119.38 1a4i s ASP 139 Ca 0.00 -2.45 0.24 0.00 0.71 0.00 0.00 52.55 51.05 1a4i s ASP 139 Cb 0.00 -2.33 0.29 0.00 1.01 0.00 0.00 42.92 41.89 1a4i s ASP 139 CO 0.00 -0.83 1.32 0.18 0.21 0.00 0.00 175.17 176.05 1a4i n LEU 140 N 5.43 3.03 0.11 1.23 4.32 -1.26 -4.16 117.00 125.70 1a4i n LEU 140 Ca 0.22 -1.09 -0.03 0.00 -0.02 0.00 0.00 56.01 55.10 1a4i n LEU 140 Cb 0.47 -0.06 0.09 0.00 -1.62 0.00 0.00 43.42 42.30 1a4i n LEU 140 CO 0.46 0.55 0.39 0.78 -1.22 0.00 0.00 177.39 178.35 1a4i h ASN 141 N 4.53 0.00 -0.16 -1.43 2.35 -1.97 -3.38 115.58 115.52 1a4i h ASN 141 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1a4i h ASN 141 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1a4i h ASN 141 CO 0.00 0.73 0.00 0.47 -1.65 0.00 0.00 177.43 176.98 1a4i n ASP 142 N -3.67 2.96 -3.94 5.81 9.92 -1.26 -5.08 116.55 121.30 1a4i n ASP 142 Ca -0.01 -1.90 -0.09 0.00 -0.53 0.00 0.00 54.79 52.26 1a4i n ASP 142 Cb 0.71 -0.09 -0.09 0.00 -0.64 0.00 0.00 41.12 41.01 1a4i n ASP 142 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a4i s PHE 144 N -3.29 3.67 -0.11 0.00 0.08 -1.26 -5.04 117.98 112.01 1a4i s PHE 144 Ca 0.01 1.20 -0.05 0.00 0.12 0.00 0.00 56.93 58.20 1a4i s PHE 144 Cb 0.03 -2.63 -0.04 0.00 -0.57 0.00 0.00 43.02 39.81 1a4i s PHE 144 CO -0.08 0.32 0.09 0.42 -0.10 0.00 0.00 175.22 175.87 1a4i s ILE 145 N -0.05 5.07 0.27 0.64 1.01 -1.26 -4.43 121.20 122.45 1a4i s ILE 145 Ca 0.32 0.05 -0.28 0.00 0.00 0.00 0.00 60.65 60.73 1a4i s ILE 145 Cb -0.18 -3.19 -0.14 0.00 0.01 0.00 0.00 42.46 38.95 1a4i s ILE 145 CO 0.17 0.60 0.98 -2.65 0.00 0.00 0.00 174.94 174.05 1a4i n PRO 146 N 2.13 1.22 0.11 2.79 -0.02 -1.25 -4.51 135.00 135.48 1a4i n PRO 146 Ca -0.19 0.43 -0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1a4i n PRO 146 Cb 0.54 -1.78 0.29 0.00 -0.02 0.00 0.00 33.50 32.54 1a4i n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a4i h THR 148 N 0.20 1.35 -0.81 0.00 2.02 -1.85 -1.05 112.91 112.78 1a4i h THR 148 Ca 0.03 -1.20 0.07 0.00 0.77 0.00 0.00 66.41 66.08 1a4i h THR 148 Cb 0.64 2.15 -0.06 0.00 -1.74 0.00 0.00 68.15 69.14 1a4i h THR 148 CO 0.05 0.30 0.48 -0.65 0.37 0.00 0.00 175.52 176.07 1a4i h PRO 149 N -0.55 0.84 -0.32 6.66 0.11 -1.79 -0.17 132.00 136.78 1a4i h PRO 149 Ca -0.00 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.11 1a4i h PRO 149 Cb 0.52 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.39 1a4i h PRO 149 CO 0.01 0.55 -0.01 0.87 -0.21 0.00 0.00 178.00 179.21 1a4i h LYS 150 N 0.86 0.08 -0.81 1.05 1.57 -1.26 0.12 116.57 118.18 1a4i h LYS 150 Ca 0.37 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.15 1a4i h LYS 150 Cb 0.23 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1a4i h LYS 150 CO -0.20 0.05 0.53 0.78 -0.57 0.00 0.00 179.45 180.04 1a4i h GLY 151 N 0.08 1.14 0.97 3.86 0.00 -0.18 -1.78 103.07 107.15 1a4i h GLY 151 Ca 0.15 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1a4i h GLY 151 CO -0.27 0.40 0.18 0.00 0.00 0.00 0.00 176.54 176.85 1a4i h LEU 153 N 0.70 0.95 -0.73 0.00 5.85 -0.48 -0.97 115.31 120.61 1a4i h LEU 153 Ca 0.17 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1a4i h LEU 153 Cb 0.24 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1a4i h LEU 153 CO -0.01 0.86 0.07 -0.08 -0.34 0.00 0.00 178.44 178.93 1a4i h GLU 154 N 1.00 1.04 -0.68 1.25 4.57 -1.04 0.05 114.58 120.77 1a4i h GLU 154 Ca 0.23 -0.29 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1a4i h GLU 154 Cb 0.22 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 1a4i h GLU 154 CO -0.02 0.97 0.41 -0.07 -1.18 0.00 0.00 179.01 179.12 1a4i h LEU 155 N 0.97 0.82 -0.64 1.64 3.38 -0.63 -1.51 115.31 119.33 1a4i h LEU 155 Ca 0.19 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1a4i h LEU 155 Cb 0.46 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1a4i h LEU 155 CO 0.02 0.64 -0.02 0.40 0.09 0.00 0.00 178.44 179.57 1a4i h ILE 156 N 0.93 1.26 0.00 1.22 2.04 -0.72 -2.27 117.51 119.97 1a4i h ILE 156 Ca 0.24 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 1a4i h ILE 156 Cb -0.02 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1a4i h ILE 156 CO -0.05 0.42 -0.15 0.11 0.00 0.00 0.00 178.15 178.48 1a4i h LYS 157 N 0.94 0.00 0.00 2.37 1.57 -0.62 -1.92 116.57 118.91 1a4i h LYS 157 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1a4i h LYS 157 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1a4i h LYS 157 CO 0.03 0.15 0.00 0.39 -0.57 0.00 0.00 179.45 179.46 1a4i n GLU 158 N -3.74 0.14 0.21 3.15 -0.58 -0.60 -1.08 120.64 118.13 1a4i n GLU 158 Ca -0.02 0.44 0.10 0.00 -0.42 0.00 0.00 57.16 57.27 1a4i n GLU 158 Cb 0.26 -1.80 0.23 0.00 -0.57 0.00 0.00 31.44 29.56 1a4i n GLU 158 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1a4i h THR 159 N 0.00 0.30 0.00 2.62 1.35 -1.36 -3.47 112.91 112.34 1a4i h THR 159 Ca 0.00 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 1a4i h THR 159 Cb 0.25 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1a4i h THR 159 CO 0.00 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 1a4i n GLY 160 N 0.89 1.65 3.67 5.82 0.00 -0.24 -5.01 105.19 111.96 1a4i n GLY 160 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1a4i n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a4i s VAL 161 N -3.53 4.93 0.36 1.61 1.01 -1.26 -5.01 120.40 118.50 1a4i s VAL 161 Ca 0.00 1.50 -0.28 0.00 0.00 0.00 0.00 61.98 63.20 1a4i s VAL 161 Cb 0.00 -4.08 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 1a4i s VAL 161 CO 0.00 0.06 1.49 -2.65 0.00 0.00 0.00 175.10 174.00 1a4i n PRO 162 N 5.12 2.63 0.07 2.72 -0.02 -1.26 -4.87 135.00 139.40 1a4i n PRO 162 Ca 0.03 0.92 -0.08 0.00 -2.02 0.00 0.00 63.50 62.35 1a4i n PRO 162 Cb 0.49 -2.65 -0.09 0.00 -0.02 0.00 0.00 33.50 31.23 1a4i n PRO 162 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1a4i h ILE 163 N 2.98 1.65 -2.76 4.25 2.04 -1.95 -3.44 117.51 120.28 1a4i h ILE 163 Ca -0.50 -3.22 -0.54 0.00 1.00 0.00 0.00 64.86 61.61 1a4i h ILE 163 Cb 1.24 2.78 0.07 0.00 -0.74 0.00 0.00 36.82 40.17 1a4i h ILE 163 CO 0.67 0.92 0.93 0.00 0.00 0.00 0.00 178.15 180.67 1a4i n ALA 164 N -2.39 2.50 -0.31 1.87 0.00 -1.21 -1.21 120.51 119.77 1a4i n ALA 164 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1a4i n ALA 164 Cb 0.92 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1a4i n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a4i n GLY 165 N 3.36 2.01 3.82 0.00 0.00 -0.14 -4.91 105.19 109.33 1a4i n GLY 165 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1a4i n GLY 165 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a4i s ARG 166 N -0.13 3.57 -0.30 1.61 1.81 -0.35 -4.72 118.95 120.44 1a4i s ARG 166 Ca 0.00 1.07 -0.20 0.00 -1.72 0.00 0.00 55.73 54.88 1a4i s ARG 166 Cb 0.00 -2.08 -0.01 0.00 -0.45 0.00 0.00 34.95 32.41 1a4i s ARG 166 CO 0.00 -0.59 0.62 -1.58 -0.68 0.00 0.00 175.30 173.07 1a4i s HIS 167 N -2.58 3.22 0.00 -0.53 5.65 -1.26 -0.84 115.29 118.96 1a4i s HIS 167 Ca 0.61 0.59 0.03 0.00 0.25 0.00 0.00 55.06 56.54 1a4i s HIS 167 Cb -0.13 -2.96 -0.03 0.00 -1.18 0.00 0.00 32.58 28.28 1a4i s HIS 167 CO 0.36 -0.45 -0.07 0.00 -0.65 0.00 0.00 174.74 173.92 1a4i s ALA 168 N 2.57 3.00 -0.10 1.58 0.00 0.18 -0.49 121.76 128.49 1a4i s ALA 168 Ca 0.25 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1a4i s ALA 168 Cb -0.15 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.86 1a4i s ALA 168 CO 0.11 0.61 -0.18 0.08 0.00 0.00 0.00 175.76 176.39 1a4i s VAL 169 N -0.98 1.64 -0.21 0.00 1.01 0.09 -0.57 120.40 121.38 1a4i s VAL 169 Ca 0.17 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1a4i s VAL 169 Cb -0.11 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1a4i s VAL 169 CO 0.07 0.47 -0.02 -0.69 0.00 0.00 0.00 175.10 174.93 1a4i s VAL 170 N 0.78 3.74 -0.39 2.92 1.01 -0.05 -1.00 120.40 127.41 1a4i s VAL 170 Ca -0.10 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1a4i s VAL 170 Cb -0.16 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.55 1a4i s VAL 170 CO 0.01 0.42 0.25 -0.69 0.00 0.00 0.00 175.10 175.09 1a4i s VAL 171 N 1.19 4.91 0.00 2.92 1.01 0.38 -0.80 120.40 130.00 1a4i s VAL 171 Ca 0.03 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1a4i s VAL 171 Cb -0.15 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1a4i s VAL 171 CO 0.00 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1a4i n GLY 172 N 5.07 3.30 1.44 4.51 0.00 0.10 -0.45 105.19 119.16 1a4i n GLY 172 Ca -0.12 -1.73 0.04 0.00 0.00 0.00 0.00 46.02 44.22 1a4i n GLY 172 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1a4i n ARG 173 N -0.65 0.10 -1.19 1.61 1.85 -1.26 -4.30 116.66 112.81 1a4i n ARG 173 Ca 0.00 -2.08 -0.30 0.00 -1.00 0.00 0.00 57.85 54.47 1a4i n ARG 173 Cb 0.00 -0.10 0.13 0.00 -1.05 0.00 0.00 32.46 31.43 1a4i n ARG 173 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1a4i s SER 174 N -2.08 3.75 0.42 2.89 1.04 -1.26 -3.73 113.70 114.73 1a4i s SER 174 Ca 0.34 1.62 0.17 0.00 0.48 0.00 0.00 55.95 58.56 1a4i s SER 174 Cb 0.39 -2.30 0.92 0.00 0.10 0.00 0.00 66.02 65.13 1a4i s SER 174 CO -0.16 -2.48 1.89 0.11 0.98 0.00 0.00 173.24 173.57 1a4i h LYS 175 N -1.44 0.00 0.09 4.02 1.57 -1.99 0.24 116.57 119.06 1a4i h LYS 175 Ca -0.47 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.05 1a4i h LYS 175 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1a4i h LYS 175 CO 0.53 0.29 -1.21 0.82 -0.57 0.00 0.00 179.45 179.31 1a4i h ILE 176 N 0.00 1.51 0.00 1.86 1.08 -2.00 -3.41 117.51 116.55 1a4i h ILE 176 Ca -0.00 -3.14 0.00 0.00 -0.39 0.00 0.00 64.86 61.33 1a4i h ILE 176 Cb 0.57 2.89 0.00 0.00 -3.07 0.00 0.00 36.82 37.21 1a4i h ILE 176 CO 0.04 0.90 0.00 0.52 -0.69 0.00 0.00 178.15 178.92 1a4i n VAL 177 N -3.46 0.18 -0.08 1.67 0.31 -1.18 -4.54 118.33 111.23 1a4i n VAL 177 Ca -0.07 0.06 -0.11 0.00 -0.01 0.00 0.00 64.34 64.21 1a4i n VAL 177 Cb 1.00 -0.60 -0.04 0.00 -0.91 0.00 0.00 33.84 33.29 1a4i n VAL 177 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1a4i h GLY 178 N 0.00 0.42 0.89 2.92 0.00 -1.72 -0.59 103.07 104.99 1a4i h GLY 178 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1a4i h GLY 178 CO 0.00 0.23 -0.09 0.00 0.00 0.00 0.00 176.54 176.68 1a4i h ALA 179 N 0.90 -0.26 0.00 3.60 0.00 -1.03 -1.76 119.26 120.70 1a4i h ALA 179 Ca 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1a4i h ALA 179 Cb 0.24 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1a4i h ALA 179 CO -0.00 -0.59 -0.21 -1.00 0.00 0.00 0.00 179.25 177.44 1a4i h PRO 180 N -0.37 0.00 -0.60 0.00 0.13 -1.73 -2.52 132.00 126.91 1a4i h PRO 180 Ca -0.03 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.01 1a4i h PRO 180 Cb 0.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.40 1a4i h PRO 180 CO 0.04 0.21 0.01 1.98 -0.23 0.00 0.00 178.00 180.02 1a4i h MET 181 N 0.00 1.03 -0.53 0.86 4.05 -0.78 -0.50 114.93 119.07 1a4i h MET 181 Ca -0.00 -0.31 0.05 0.00 -0.28 0.00 0.00 59.70 59.15 1a4i h MET 181 Cb 0.44 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.09 1a4i h MET 181 CO 0.03 1.00 0.27 1.25 0.23 0.00 0.00 176.91 179.69 1a4i h HIS 182 N 0.95 0.49 -0.42 1.39 -0.00 -0.91 -1.44 115.15 115.22 1a4i h HIS 182 Ca 0.17 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.51 1a4i h HIS 182 Cb 0.53 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 1a4i h HIS 182 CO 0.04 0.24 0.04 -0.44 -0.00 0.00 0.00 177.93 177.81 1a4i h ASP 183 N 0.52 0.68 -0.63 3.26 3.32 -1.15 0.10 116.42 122.52 1a4i h ASP 183 Ca 0.24 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 57.03 1a4i h ASP 183 Cb 0.15 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1a4i h ASP 183 CO -0.17 0.79 0.39 -0.07 -1.72 0.00 0.00 179.24 178.46 1a4i h LEU 184 N 0.55 0.64 -0.55 1.55 3.38 -0.80 -0.02 115.31 120.06 1a4i h LEU 184 Ca 0.12 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1a4i h LEU 184 Cb 0.41 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1a4i h LEU 184 CO 0.01 0.45 -0.21 -0.07 0.09 0.00 0.00 178.44 178.71 1a4i h LEU 185 N 0.77 0.96 -0.42 1.67 3.38 -0.96 -2.06 115.31 118.66 1a4i h LEU 185 Ca 0.25 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1a4i h LEU 185 Cb 0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1a4i h LEU 185 CO -0.10 1.13 0.19 0.25 0.09 0.00 0.00 178.44 180.01 1a4i h LEU 186 N 0.81 0.56 0.00 1.67 5.85 -0.63 -1.50 115.31 122.07 1a4i h LEU 186 Ca 0.11 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1a4i h LEU 186 Cb 0.78 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1a4i h LEU 186 CO 0.06 0.54 0.00 0.79 -0.34 0.00 0.00 178.44 179.49 1a4i n TRP 187 N -4.66 0.00 -0.40 1.25 7.02 -0.05 -0.56 117.44 120.03 1a4i n TRP 187 Ca 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.58 1a4i n TRP 187 Cb 0.12 -0.20 0.33 0.00 -2.42 0.00 0.00 31.31 29.15 1a4i n TRP 187 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1a4i n ASN 188 N -1.20 4.32 -0.50 -0.99 3.02 -0.78 -4.96 115.26 114.18 1a4i n ASN 188 Ca 0.15 -2.32 -0.06 0.00 -0.03 0.00 0.00 54.58 52.33 1a4i n ASN 188 Cb 0.18 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.79 1a4i n ASN 188 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1a4i n ASN 189 N 1.17 -3.50 -4.79 6.41 3.02 0.27 -3.31 115.26 114.54 1a4i n ASN 189 Ca 0.24 0.12 -0.30 0.00 -0.03 0.00 0.00 54.58 54.61 1a4i n ASN 189 Cb 0.78 -1.75 0.09 0.00 -0.61 0.00 0.00 39.78 38.29 1a4i n ASN 189 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a4i s ALA 190 N -2.24 2.27 -0.23 5.41 0.00 -0.62 -0.97 121.76 125.38 1a4i s ALA 190 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 51.96 51.80 1a4i s ALA 190 Cb 0.00 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1a4i s ALA 190 CO 0.00 -1.68 0.44 0.99 0.00 0.00 0.00 175.76 175.50 1a4i s THR 191 N -3.03 5.15 -0.04 0.00 2.01 -0.02 -4.43 115.64 115.28 1a4i s THR 191 Ca 0.60 0.76 0.06 0.00 0.31 0.00 0.00 61.69 63.42 1a4i s THR 191 Cb -0.15 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1a4i s THR 191 CO 0.55 0.19 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.77 1a4i s VAL 192 N 1.72 1.72 -0.12 3.82 1.01 -1.26 -0.65 120.40 126.65 1a4i s VAL 192 Ca 0.19 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1a4i s VAL 192 Cb -0.15 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1a4i s VAL 192 CO 0.09 0.49 -0.05 -0.89 0.00 0.00 0.00 175.10 174.73 1a4i s THR 193 N -0.23 3.78 -0.15 3.92 2.01 0.26 -4.97 115.64 120.26 1a4i s THR 193 Ca 0.01 -0.42 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 1a4i s THR 193 Cb -0.11 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 1a4i s THR 193 CO 0.01 0.54 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.46 1a4i s THR 194 N -0.17 2.85 0.27 -0.82 2.01 -1.26 -0.87 115.64 117.65 1a4i s THR 194 Ca 0.03 -0.71 0.10 0.00 0.31 0.00 0.00 61.69 61.41 1a4i s THR 194 Cb -0.13 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 1a4i s THR 194 CO 0.03 0.51 -0.05 0.00 -0.69 0.00 0.00 174.62 174.41 1a4i n HIS 196 N -0.83 -0.95 0.28 0.00 1.44 -1.26 -0.72 115.22 113.18 1a4i n HIS 196 Ca -0.06 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.79 1a4i n HIS 196 Cb 0.59 0.00 0.65 0.00 0.12 0.00 0.00 29.99 31.36 1a4i n HIS 196 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1a4i h SER 197 N 0.00 0.00 -0.54 4.39 4.64 -2.00 -1.69 113.55 118.34 1a4i h SER 197 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a4i h SER 197 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1a4i h SER 197 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1a4i n LYS 198 N -2.46 2.60 -2.27 4.77 4.01 -1.26 -4.95 118.16 118.60 1a4i n LYS 198 Ca -0.00 -2.43 -0.41 0.00 -0.51 0.00 0.00 58.31 54.96 1a4i n LYS 198 Cb 0.14 -1.52 -0.03 0.00 -0.51 0.00 0.00 35.03 33.11 1a4i n LYS 198 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1a4i s THR 199 N -1.21 3.23 0.21 -0.18 2.01 -0.64 -5.02 115.64 114.04 1a4i s THR 199 Ca 0.42 1.09 -0.03 0.00 0.31 0.00 0.00 61.69 63.48 1a4i s THR 199 Cb 0.23 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1a4i s THR 199 CO 0.31 0.20 0.43 0.00 -0.69 0.00 0.00 174.62 174.87 1a4i s ALA 200 N -0.37 3.77 -1.25 7.40 0.00 -1.26 -4.40 121.76 125.65 1a4i s ALA 200 Ca 0.52 -0.69 -0.09 0.00 0.00 0.00 0.00 51.96 51.71 1a4i s ALA 200 Cb -0.36 -2.11 -0.01 0.00 0.00 0.00 0.00 23.12 20.65 1a4i s ALA 200 CO 0.41 0.46 0.68 0.72 0.00 0.00 0.00 175.76 178.03 1a4i n HIS 201 N -0.52 -1.88 -0.26 0.00 8.25 -1.26 -4.83 115.22 114.73 1a4i n HIS 201 Ca -0.03 0.66 -0.00 0.00 -0.26 0.00 0.00 57.72 58.08 1a4i n HIS 201 Cb 0.53 -3.82 0.21 0.00 1.12 0.00 0.00 29.99 28.03 1a4i n HIS 201 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1a4i h LEU 202 N -1.82 0.94 -0.93 2.41 5.85 -1.99 -0.94 115.31 118.83 1a4i h LEU 202 Ca -0.64 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.14 1a4i h LEU 202 Cb 1.36 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 1a4i h LEU 202 CO 0.54 0.69 0.58 -2.24 -0.34 0.00 0.00 178.44 177.67 1a4i h ASP 203 N 1.11 0.88 0.05 1.25 2.03 -1.97 0.75 116.42 120.52 1a4i h ASP 203 Ca 0.30 0.03 -0.12 0.00 -0.73 0.00 0.00 57.03 56.52 1a4i h ASP 203 Cb -0.12 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 38.23 1a4i h ASP 203 CO -0.06 0.51 -0.37 -0.33 -1.03 0.00 0.00 179.24 177.96 1a4i h GLU 204 N 0.98 0.43 -0.19 4.15 5.08 -1.55 -2.16 114.58 121.33 1a4i h GLU 204 Ca 0.44 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 58.43 1a4i h GLU 204 Cb 0.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1a4i h GLU 204 CO -0.22 0.74 -0.53 0.93 -1.00 0.00 0.00 179.01 178.93 1a4i h GLU 205 N 0.36 0.69 -0.66 2.33 4.39 -0.77 -3.05 114.58 117.88 1a4i h GLU 205 Ca 0.04 -0.49 0.05 0.00 0.34 0.00 0.00 59.36 59.30 1a4i h GLU 205 Cb 0.82 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.51 1a4i h GLU 205 CO 0.07 1.11 0.44 0.28 -1.16 0.00 0.00 179.01 179.75 1a4i h VAL 206 N 0.39 1.04 0.00 3.13 2.07 -0.81 -1.97 116.25 120.10 1a4i h VAL 206 Ca -0.01 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1a4i h VAL 206 Cb 1.15 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1a4i h VAL 206 CO 0.11 0.13 0.00 -3.20 0.02 0.00 0.00 177.57 174.63 1a4i n ASN 207 N -4.47 0.10 0.04 0.57 2.85 -0.82 -1.39 115.26 112.14 1a4i n ASN 207 Ca 0.09 0.53 0.13 0.00 -0.11 0.00 0.00 54.58 55.22 1a4i n ASN 207 Cb 0.19 -0.55 0.33 0.00 1.24 0.00 0.00 39.78 40.98 1a4i n ASN 207 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1a4i n LYS 208 N -1.62 0.16 -2.47 1.20 5.02 -0.74 -4.28 118.16 115.44 1a4i n LYS 208 Ca 0.02 0.08 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 1a4i n LYS 208 Cb 0.13 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.48 1a4i n LYS 208 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1a4i s GLY 209 N -3.36 1.23 0.30 0.72 0.00 -0.49 -4.74 107.32 100.98 1a4i s GLY 209 Ca 0.10 -0.24 0.08 0.00 0.00 0.00 0.00 44.72 44.65 1a4i s GLY 209 CO 0.65 2.59 1.69 -0.55 0.00 0.00 0.00 173.10 177.48 1a4i h ASP 210 N 9.82 0.19 -4.10 1.64 3.32 -1.12 -3.40 116.42 122.76 1a4i h ASP 210 Ca -0.25 -0.08 -0.55 0.00 0.02 0.00 0.00 57.03 56.16 1a4i h ASP 210 Cb 1.08 -0.05 -0.30 0.00 0.22 0.00 0.00 39.33 40.28 1a4i h ASP 210 CO 1.09 0.62 -0.84 -0.63 -1.72 0.00 0.00 179.24 177.76 1a4i s ILE 211 N -4.05 1.40 -0.07 0.35 1.01 -1.05 -1.20 121.20 117.59 1a4i s ILE 211 Ca -0.04 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 1a4i s ILE 211 Cb 0.13 -1.18 0.03 0.00 0.01 0.00 0.00 42.46 41.45 1a4i s ILE 211 CO 0.77 0.40 0.03 -0.22 0.00 0.00 0.00 174.94 175.91 1a4i s LEU 212 N -0.18 0.43 -0.17 2.97 2.96 0.13 -0.73 118.68 124.09 1a4i s LEU 212 Ca 0.01 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1a4i s LEU 212 Cb -0.09 -0.33 0.01 0.00 0.50 0.00 0.00 46.19 46.28 1a4i s LEU 212 CO 0.01 -0.22 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.96 1a4i s VAL 213 N 2.05 2.47 -0.19 1.68 1.01 -0.17 -0.38 120.40 126.87 1a4i s VAL 213 Ca 0.05 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1a4i s VAL 213 Cb -0.12 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1a4i s VAL 213 CO -0.05 0.51 -0.08 -0.69 0.00 0.00 0.00 175.10 174.80 1a4i s VAL 214 N 1.12 3.19 -0.43 2.92 1.01 0.53 -0.47 120.40 128.26 1a4i s VAL 214 Ca 0.00 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.47 1a4i s VAL 214 Cb -0.14 -2.41 0.21 0.00 0.00 0.00 0.00 36.38 34.03 1a4i s VAL 214 CO -0.06 0.47 0.53 0.00 0.00 0.00 0.00 175.10 176.04 1a4i n ALA 215 N 4.36 1.38 -0.01 5.51 0.00 0.40 -0.98 120.51 131.18 1a4i n ALA 215 Ca -0.18 -2.63 0.00 0.00 0.00 0.00 0.00 53.44 50.63 1a4i n ALA 215 Cb 0.51 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1a4i n ALA 215 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a4i n THR 216 N 2.25 0.09 -2.04 0.00 -2.24 -1.26 -4.35 114.28 106.73 1a4i n THR 216 Ca 0.22 -0.08 -0.07 0.00 -2.27 0.00 0.00 64.05 61.85 1a4i n THR 216 Cb 0.53 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.50 1a4i n THR 216 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a4i n GLY 217 N 2.60 0.16 3.04 3.38 0.00 -1.26 -5.01 105.19 108.09 1a4i n GLY 217 Ca -0.02 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 1a4i n GLY 217 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a4i s GLN 218 N -4.18 2.30 0.06 1.61 -1.52 -1.26 -5.01 119.66 111.66 1a4i s GLN 218 Ca 0.00 -0.91 -0.31 0.00 -1.95 0.00 0.00 55.36 52.19 1a4i s GLN 218 Cb 0.00 -2.51 -0.10 0.00 -0.22 0.00 0.00 33.01 30.18 1a4i s GLN 218 CO 0.00 -0.39 1.93 -0.35 -0.25 0.00 0.00 175.29 176.23 1a4i n PRO 219 N 4.63 2.83 -3.26 2.91 -0.04 -1.26 -2.63 135.00 138.18 1a4i n PRO 219 Ca -0.16 1.04 -0.21 0.00 -0.04 0.00 0.00 63.50 64.13 1a4i n PRO 219 Cb 0.47 -2.97 -0.01 0.00 -0.04 0.00 0.00 33.50 30.95 1a4i n PRO 219 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1a4i n GLU 220 N 6.86 -2.96 0.09 0.54 1.02 0.20 -4.83 120.64 121.56 1a4i n GLU 220 Ca 0.19 0.40 -0.05 0.00 -0.02 0.00 0.00 57.16 57.68 1a4i n GLU 220 Cb 0.39 -5.05 0.10 0.00 -0.02 0.00 0.00 31.44 26.86 1a4i n GLU 220 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1a4i h MET 221 N -0.73 0.21 -5.97 3.49 1.85 -1.14 -3.34 114.93 109.31 1a4i h MET 221 Ca -0.38 -0.16 -0.61 0.00 -0.61 0.00 0.00 59.70 57.95 1a4i h MET 221 Cb 1.25 0.03 -0.11 0.00 0.43 0.00 0.00 31.60 33.20 1a4i h MET 221 CO 0.48 0.79 0.48 0.08 -0.40 0.00 0.00 176.91 178.33 1a4i s VAL 222 N -3.66 4.59 0.31 -5.77 1.01 -0.26 -4.93 120.40 111.69 1a4i s VAL 222 Ca -0.04 0.73 -0.27 0.00 0.00 0.00 0.00 61.98 62.40 1a4i s VAL 222 Cb 0.12 -4.35 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 1a4i s VAL 222 CO 0.80 -0.69 1.02 -0.54 0.00 0.00 0.00 175.10 175.70 1a4i s LYS 223 N 3.46 4.54 0.48 2.72 -0.14 -1.26 -0.72 119.74 128.81 1a4i s LYS 223 Ca 0.34 1.57 0.17 0.00 -1.36 0.00 0.00 55.97 56.69 1a4i s LYS 223 Cb -0.11 -2.95 1.18 0.00 -1.68 0.00 0.00 37.83 34.26 1a4i s LYS 223 CO 0.23 0.19 2.02 0.78 -0.76 0.00 0.00 175.35 177.80 1a4i h GLY 224 N 3.38 0.30 1.58 -3.33 0.00 -1.85 -1.34 103.07 101.82 1a4i h GLY 224 Ca -0.47 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 46.80 1a4i h GLY 224 CO 0.65 0.06 0.21 0.83 0.00 0.00 0.00 176.54 178.29 1a4i h GLU 225 N 0.22 0.28 0.00 4.80 5.08 -1.92 -1.52 114.58 121.52 1a4i h GLU 225 Ca 0.22 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1a4i h GLU 225 Cb 0.57 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1a4i h GLU 225 CO -0.04 0.19 -0.09 -1.49 -1.00 0.00 0.00 179.01 176.58 1a4i h TRP 226 N 0.29 0.00 -3.24 4.33 6.55 -1.57 -3.46 115.95 118.85 1a4i h TRP 226 Ca 0.13 0.00 -0.53 0.00 0.95 0.00 0.00 58.89 59.44 1a4i h TRP 226 Cb 0.16 0.00 0.07 0.00 -0.86 0.00 0.00 29.16 28.52 1a4i h TRP 226 CO -0.00 0.09 0.85 0.42 -1.05 0.00 0.00 178.44 178.74 1a4i s ILE 227 N -3.25 2.36 0.12 1.49 -1.09 -0.57 -2.67 121.20 117.58 1a4i s ILE 227 Ca 0.05 0.29 -0.31 0.00 -2.23 0.00 0.00 60.65 58.45 1a4i s ILE 227 Cb 0.06 -3.19 -0.08 0.00 -1.58 0.00 0.00 42.46 37.68 1a4i s ILE 227 CO 0.66 0.04 1.39 -0.75 -1.23 0.00 0.00 174.94 175.06 1a4i s LYS 228 N -0.13 4.32 -0.05 2.79 2.20 -1.26 -4.91 119.74 122.70 1a4i s LYS 228 Ca 0.63 2.08 -0.36 0.00 -0.36 0.00 0.00 55.97 57.97 1a4i s LYS 228 Cb -0.45 -3.24 -0.14 0.00 -1.51 0.00 0.00 37.83 32.49 1a4i s LYS 228 CO 0.43 -0.43 1.72 -2.30 -0.36 0.00 0.00 175.35 174.40 1a4i n PRO 229 N 3.89 1.85 -0.31 4.03 -0.02 -1.26 -1.12 135.00 142.05 1a4i n PRO 229 Ca 0.11 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1a4i n PRO 229 Cb 0.42 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1a4i n PRO 229 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4i n GLY 230 N 3.91 0.73 3.74 -1.23 0.00 0.01 -4.96 105.19 107.38 1a4i n GLY 230 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1a4i n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4i s ALA 231 N -2.38 2.08 -0.25 4.61 0.00 -0.28 -3.71 121.76 121.83 1a4i s ALA 231 Ca 0.00 0.47 -0.10 0.00 0.00 0.00 0.00 51.96 52.33 1a4i s ALA 231 Cb 0.00 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 1a4i s ALA 231 CO 0.00 -1.94 0.15 0.42 0.00 0.00 0.00 175.76 174.39 1a4i s ILE 232 N -2.64 5.18 -0.18 0.00 1.01 -0.34 -0.99 121.20 123.24 1a4i s ILE 232 Ca 0.65 0.12 0.01 0.00 0.00 0.00 0.00 60.65 61.43 1a4i s ILE 232 Cb -0.21 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1a4i s ILE 232 CO 0.53 0.31 -0.19 -0.69 0.00 0.00 0.00 174.94 174.90 1a4i s VAL 233 N 1.36 2.05 -0.23 2.92 1.01 -0.25 -0.70 120.40 126.56 1a4i s VAL 233 Ca 0.07 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 1a4i s VAL 233 Cb -0.15 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1a4i s VAL 233 CO 0.07 0.50 -0.08 -0.63 0.00 0.00 0.00 175.10 174.96 1a4i s ILE 234 N 1.28 2.85 -0.31 2.22 -1.09 0.49 -1.80 121.20 124.84 1a4i s ILE 234 Ca 0.04 -0.91 -0.03 0.00 -2.23 0.00 0.00 60.65 57.52 1a4i s ILE 234 Cb -0.13 -2.39 0.05 0.00 -1.58 0.00 0.00 42.46 38.40 1a4i s ILE 234 CO -0.12 0.29 0.04 -0.62 -1.23 0.00 0.00 174.94 173.29 1a4i s ASP 235 N 1.35 5.03 0.00 3.58 -1.08 -1.26 -0.35 116.67 123.94 1a4i s ASP 235 Ca 0.02 -1.25 0.26 0.00 -0.52 0.00 0.00 52.55 51.06 1a4i s ASP 235 Cb -0.16 -1.76 0.63 0.00 -1.46 0.00 0.00 42.92 40.17 1a4i s ASP 235 CO -0.05 -0.29 1.49 0.00 0.52 0.00 0.00 175.17 176.84 1a4i s GLY 237 N -2.51 2.95 -0.37 0.00 0.00 -1.26 -4.95 107.32 101.17 1a4i s GLY 237 Ca 0.23 1.22 0.01 0.00 0.00 0.00 0.00 44.72 46.17 1a4i s GLY 237 CO 0.53 1.82 0.17 -0.42 0.00 0.00 0.00 173.10 175.20 1a4i s ILE 238 N -1.23 1.07 -0.04 0.90 -1.09 -1.26 -4.27 121.20 115.28 1a4i s ILE 238 Ca 0.54 -1.95 0.05 0.00 -2.23 0.00 0.00 60.65 57.06 1a4i s ILE 238 Cb -0.38 -1.78 -0.01 0.00 -1.58 0.00 0.00 42.46 38.71 1a4i s ILE 238 CO 0.49 -0.80 -0.20 0.20 -1.23 0.00 0.00 174.94 173.40 1a4i s ASN 239 N 1.00 2.51 -0.02 3.58 0.01 0.31 -4.97 114.94 117.36 1a4i s ASN 239 Ca 0.14 -0.41 -0.08 0.00 -0.71 0.00 0.00 52.86 51.80 1a4i s ASN 239 Cb -0.21 -0.60 -0.05 0.00 0.41 0.00 0.00 41.25 40.80 1a4i s ASN 239 CO -0.11 0.21 0.26 -0.31 -1.51 0.00 0.00 177.10 175.64 1a4i s TYR 240 N -0.14 3.61 0.00 2.20 2.02 -1.26 -0.30 117.35 123.47 1a4i s TYR 240 Ca -0.01 0.63 0.00 0.00 -0.37 0.00 0.00 57.07 57.32 1a4i s TYR 240 Cb -0.11 -2.03 0.00 0.00 -0.40 0.00 0.00 41.96 39.42 1a4i s TYR 240 CO 0.02 0.64 0.00 1.17 -1.57 0.00 0.00 175.55 175.81 1a4i n LYS 251 N 1.41 0.00 -3.64 -0.62 4.81 -1.26 -4.80 118.16 114.06 1a4i n LYS 251 Ca -0.14 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 56.95 1a4i n LYS 251 Cb 0.53 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.51 1a4i n LYS 251 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1a4i s VAL 252 N 0.00 5.36 0.07 3.15 1.01 -1.26 -5.08 120.40 123.65 1a4i s VAL 252 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1a4i s VAL 252 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1a4i s VAL 252 CO 0.00 0.41 -0.05 0.68 0.00 0.00 0.00 175.10 176.15 1a4i s VAL 253 N 0.42 0.45 0.00 2.92 -7.23 0.59 -4.69 120.40 112.86 1a4i s VAL 253 Ca 0.12 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1a4i s VAL 253 Cb -0.12 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.26 1a4i s VAL 253 CO 0.01 -0.92 0.00 0.61 -0.31 0.00 0.00 175.10 174.49 1a4i n GLY 254 N 0.09 0.57 0.26 2.32 0.00 -1.26 -0.53 105.19 106.64 1a4i n GLY 254 Ca -0.13 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.10 1a4i n GLY 254 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a4i n ASP 255 N -2.75 1.00 -4.51 1.61 8.00 -1.26 -0.63 116.55 118.01 1a4i n ASP 255 Ca 0.00 -0.96 -0.33 0.00 0.71 0.00 0.00 54.79 54.22 1a4i n ASP 255 Cb 0.00 0.07 -0.12 0.00 -0.02 0.00 0.00 41.12 41.04 1a4i n ASP 255 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1a4i s VAL 256 N -2.39 3.24 -0.78 2.53 1.01 -1.26 -1.10 120.40 121.65 1a4i s VAL 256 Ca 0.28 -0.72 -0.26 0.00 0.00 0.00 0.00 61.98 61.29 1a4i s VAL 256 Cb 0.20 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 34.29 1a4i s VAL 256 CO 0.47 0.55 1.52 0.00 0.00 0.00 0.00 175.10 177.65 1a4i s ALA 257 N -0.79 2.49 0.12 5.51 0.00 0.10 -4.50 121.76 124.68 1a4i s ALA 257 Ca 0.13 -1.38 -0.18 0.00 0.00 0.00 0.00 51.96 50.52 1a4i s ALA 257 Cb -0.11 -4.35 -0.05 0.00 0.00 0.00 0.00 23.12 18.61 1a4i s ALA 257 CO 0.02 -3.66 1.73 -0.92 0.00 0.00 0.00 175.76 172.93 1a4i h TYR 258 N 11.33 0.38 -0.68 0.00 3.20 -1.94 -1.39 116.97 127.87 1a4i h TYR 258 Ca -0.14 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.75 1a4i h TYR 258 Cb 1.07 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.18 1a4i h TYR 258 CO 1.15 0.31 0.45 -0.44 -1.64 0.00 0.00 178.16 177.98 1a4i h ASP 259 N 0.34 0.72 0.06 -2.11 5.19 -2.01 -0.78 116.42 117.83 1a4i h ASP 259 Ca 0.10 -0.01 -0.21 0.00 -0.62 0.00 0.00 57.03 56.29 1a4i h ASP 259 Cb 0.05 -0.17 0.02 0.00 0.18 0.00 0.00 39.33 39.41 1a4i h ASP 259 CO -0.02 0.51 -0.84 -0.33 -3.12 0.00 0.00 179.24 175.44 1a4i h GLU 260 N 0.84 0.47 -0.09 3.56 5.08 -1.94 -3.35 114.58 119.15 1a4i h GLU 260 Ca 0.26 -0.58 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 1a4i h GLU 260 Cb 0.02 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1a4i h GLU 260 CO -0.07 1.22 -0.26 0.00 -1.00 0.00 0.00 179.01 178.90 1a4i h ALA 261 N 0.27 1.39 0.00 3.43 0.00 -0.95 -2.37 119.26 121.03 1a4i h ALA 261 Ca -0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1a4i h ALA 261 Cb 1.56 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1a4i h ALA 261 CO 0.16 0.43 -0.02 1.57 0.00 0.00 0.00 179.25 181.39 1a4i h LYS 262 N 0.15 0.00 -0.00 0.00 2.10 -1.28 0.21 116.57 117.75 1a4i h LYS 262 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1a4i h LYS 262 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1a4i h LYS 262 CO 0.04 0.02 -0.22 0.39 -2.00 0.00 0.00 179.45 177.68 1a4i n GLU 263 N -3.18 0.06 -0.05 0.07 -0.58 -0.89 0.03 120.64 116.10 1a4i n GLU 263 Ca -0.02 -0.02 -0.06 0.00 -0.42 0.00 0.00 57.16 56.64 1a4i n GLU 263 Cb 0.17 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.50 1a4i n GLU 263 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1a4i n ARG 264 N -1.45 0.76 -1.33 3.49 1.74 -0.07 -4.92 116.66 114.89 1a4i n ARG 264 Ca 0.07 0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.89 1a4i n ARG 264 Cb 0.33 -1.20 0.11 0.00 -1.02 0.00 0.00 32.46 30.68 1a4i n ARG 264 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a4i s ALA 265 N -2.20 2.01 -0.06 7.54 0.00 0.53 -0.81 121.76 128.77 1a4i s ALA 265 Ca -0.11 0.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.81 1a4i s ALA 265 Cb 0.03 -3.20 -0.28 0.00 0.00 0.00 0.00 23.12 19.68 1a4i s ALA 265 CO 0.25 -1.94 0.60 0.66 0.00 0.00 0.00 175.76 175.32 1a4i h SER 266 N -1.25 0.43 -4.32 0.00 4.64 -1.14 -3.31 113.55 108.60 1a4i h SER 266 Ca -0.47 -0.76 -0.23 0.00 -0.47 0.00 0.00 61.79 59.86 1a4i h SER 266 Cb 1.26 -0.14 -0.25 0.00 -0.31 0.00 0.00 62.40 62.96 1a4i h SER 266 CO 0.55 1.66 -0.72 -0.36 -0.87 0.00 0.00 176.83 177.09 1a4i s PHE 267 N -2.58 0.26 -0.08 4.77 0.40 -1.12 -1.04 117.98 118.59 1a4i s PHE 267 Ca -0.16 -0.26 -0.19 0.00 -0.60 0.00 0.00 56.93 55.72 1a4i s PHE 267 Cb 0.06 -0.17 0.04 0.00 0.51 0.00 0.00 43.02 43.46 1a4i s PHE 267 CO 0.82 -0.08 0.46 -1.50 0.70 0.00 0.00 175.22 175.62 1a4i s ILE 268 N -0.70 0.02 -0.09 0.64 2.07 -0.23 -1.09 121.20 121.82 1a4i s ILE 268 Ca -0.06 -0.20 -0.18 0.00 -1.41 0.00 0.00 60.65 58.80 1a4i s ILE 268 Cb -0.05 -0.73 -0.05 0.00 0.13 0.00 0.00 42.46 41.76 1a4i s ILE 268 CO -0.00 -0.11 0.46 0.42 -1.91 0.00 0.00 174.94 173.80 1a4i s THR 269 N -0.78 5.14 0.79 4.00 -4.23 -0.74 -0.54 115.64 119.28 1a4i s THR 269 Ca -0.09 0.93 -0.12 0.00 -1.18 0.00 0.00 61.69 61.24 1a4i s THR 269 Cb -0.03 -3.80 0.07 0.00 1.34 0.00 0.00 72.50 70.08 1a4i s THR 269 CO 0.04 0.38 1.14 -2.16 -0.54 0.00 0.00 174.62 173.49 1a4i s PRO 270 N 0.26 2.11 -0.06 3.99 0.04 -1.26 -4.62 135.00 135.46 1a4i s PRO 270 Ca 0.25 0.28 -0.01 0.00 0.04 0.00 0.00 61.00 61.56 1a4i s PRO 270 Cb -0.15 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.46 1a4i s PRO 270 CO 0.11 -1.52 0.02 0.08 0.04 0.00 0.00 177.00 175.72 1a4i s VAL 271 N -3.44 0.22 0.28 -0.36 1.01 -1.26 -2.76 120.40 114.08 1a4i s VAL 271 Ca 0.61 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.75 1a4i s VAL 271 Cb -0.12 -0.39 0.06 0.00 0.00 0.00 0.00 36.38 35.93 1a4i s VAL 271 CO 0.51 0.22 0.36 -0.81 0.00 0.00 0.00 175.10 175.38 1a4i n PRO 272 N 5.06 -0.50 -0.64 2.72 -0.04 -1.26 -4.74 135.00 135.60 1a4i n PRO 272 Ca -0.08 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.82 1a4i n PRO 272 Cb 0.50 -0.38 0.00 0.00 -0.04 0.00 0.00 33.50 33.58 1a4i n PRO 272 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a4i n GLY 273 N 2.37 0.66 0.00 0.55 0.00 -1.26 -4.99 105.19 102.51 1a4i n GLY 273 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1a4i n GLY 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4i n GLY 274 N -2.64 0.59 0.29 -0.02 0.00 -1.11 -1.46 105.19 100.84 1a4i n GLY 274 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1a4i n GLY 274 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a4i h VAL 275 N 0.00 1.23 -0.11 1.61 2.07 -1.79 -3.31 116.25 115.95 1a4i h VAL 275 Ca 0.00 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.64 1a4i h VAL 275 Cb 0.00 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 1a4i h VAL 275 CO 0.00 0.33 -0.34 1.23 0.02 0.00 0.00 177.57 178.81 1a4i h GLY 276 N 0.95 -0.49 1.92 2.17 0.00 -1.90 -1.60 103.07 104.11 1a4i h GLY 276 Ca 0.14 0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.82 1a4i h GLY 276 CO 0.01 -0.22 -0.27 -0.56 0.00 0.00 0.00 176.54 175.50 1a4i h PRO 277 N -0.42 0.10 -0.58 4.80 0.13 -1.86 -2.57 132.00 131.60 1a4i h PRO 277 Ca 0.09 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 65.10 1a4i h PRO 277 Cb 0.56 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 1a4i h PRO 277 CO -0.35 0.37 0.01 0.52 -0.23 0.00 0.00 178.00 178.32 1a4i h MET 278 N 0.09 1.00 -0.72 0.86 2.86 -1.52 -1.56 114.93 115.93 1a4i h MET 278 Ca 0.01 -0.30 0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1a4i h MET 278 Cb 0.53 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 1a4i h MET 278 CO 0.04 0.97 0.47 1.15 1.06 0.00 0.00 176.91 180.61 1a4i h THR 279 N 0.92 1.17 -0.43 2.22 2.02 -0.89 -0.17 112.91 117.75 1a4i h THR 279 Ca 0.17 -0.33 -0.13 0.00 0.77 0.00 0.00 66.41 66.89 1a4i h THR 279 Cb 0.52 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1a4i h THR 279 CO 0.03 0.18 -0.25 0.58 0.37 0.00 0.00 175.52 176.42 1a4i h VAL 280 N 0.96 1.27 -0.93 3.16 2.07 -1.40 -1.85 116.25 119.54 1a4i h VAL 280 Ca 0.27 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1a4i h VAL 280 Cb -0.09 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1a4i h VAL 280 CO -0.07 0.47 0.59 0.00 0.02 0.00 0.00 177.57 178.59 1a4i h ALA 281 N 0.94 1.30 -0.09 1.67 0.00 -0.89 -1.47 119.26 120.72 1a4i h ALA 281 Ca 0.10 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1a4i h ALA 281 Cb 0.81 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1a4i h ALA 281 CO 0.07 0.63 -0.48 0.52 0.00 0.00 0.00 179.25 179.98 1a4i h MET 282 N 1.26 0.22 -0.64 0.00 2.86 -0.80 -0.18 114.93 117.65 1a4i h MET 282 Ca 0.34 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.79 1a4i h MET 282 Cb -0.11 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1a4i h MET 282 CO -0.07 0.66 0.14 1.25 1.06 0.00 0.00 176.91 179.95 1a4i h LEU 283 N 0.17 0.98 -0.97 1.22 5.85 -0.89 -0.88 115.31 120.80 1a4i h LEU 283 Ca 0.01 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 1a4i h LEU 283 Cb 0.92 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1a4i h LEU 283 CO 0.07 0.97 -0.06 0.24 -0.34 0.00 0.00 178.44 179.32 1a4i h MET 284 N 0.95 0.69 -0.52 1.25 2.86 -0.71 -0.87 114.93 118.58 1a4i h MET 284 Ca 0.20 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1a4i h MET 284 Cb 0.38 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1a4i h MET 284 CO 0.00 0.74 0.26 0.37 1.06 0.00 0.00 176.91 179.35 1a4i h GLN 285 N 0.64 0.74 -0.40 1.72 4.15 -0.60 0.45 115.11 121.82 1a4i h GLN 285 Ca 0.12 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.38 1a4i h GLN 285 Cb 0.48 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 1a4i h GLN 285 CO 0.03 0.61 0.01 0.77 -1.93 0.00 0.00 178.83 178.31 1a4i h SER 286 N 0.70 0.59 -0.47 -0.69 0.02 -0.93 -1.01 113.55 111.77 1a4i h SER 286 Ca 0.18 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.87 1a4i h SER 286 Cb 0.10 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1a4i h SER 286 CO -0.02 0.66 -0.23 0.74 -1.14 0.00 0.00 176.83 176.83 1a4i h THR 287 N 0.60 1.27 -0.63 -2.27 2.02 -0.36 -0.47 112.91 113.06 1a4i h THR 287 Ca 0.12 -1.40 -0.08 0.00 0.77 0.00 0.00 66.41 65.82 1a4i h THR 287 Cb 0.37 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1a4i h THR 287 CO 0.01 0.48 0.08 0.58 0.37 0.00 0.00 175.52 177.05 1a4i h VAL 288 N 0.84 1.26 -0.84 3.16 2.07 -0.68 -1.78 116.25 120.28 1a4i h VAL 288 Ca 0.10 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1a4i h VAL 288 Cb 0.82 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1a4i h VAL 288 CO 0.07 0.39 0.44 -0.08 0.02 0.00 0.00 177.57 178.41 1a4i h GLU 289 N 0.98 1.19 -0.44 1.57 4.81 -0.89 -0.50 114.58 121.31 1a4i h GLU 289 Ca 0.19 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1a4i h GLU 289 Cb 0.45 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1a4i h GLU 289 CO 0.02 0.89 0.09 0.66 -0.73 0.00 0.00 179.01 179.94 1a4i h SER 290 N 1.18 0.61 -0.16 1.04 4.64 -0.53 0.24 113.55 120.57 1a4i h SER 290 Ca 0.29 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.43 1a4i h SER 290 Cb 0.06 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1a4i h SER 290 CO -0.04 0.62 -0.22 0.00 -0.87 0.00 0.00 176.83 176.33 1a4i h ALA 291 N 1.46 0.24 -0.71 5.18 0.00 -0.69 -2.54 119.26 122.20 1a4i h ALA 291 Ca 0.15 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1a4i h ALA 291 Cb 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1a4i h ALA 291 CO -0.00 0.19 0.21 -0.22 0.00 0.00 0.00 179.25 179.43 1a4i h LYS 292 N 0.06 1.11 -0.72 0.00 3.64 -0.75 -1.90 116.57 118.02 1a4i h LYS 292 Ca 0.02 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 1a4i h LYS 292 Cb 0.78 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1a4i h LYS 292 CO 0.05 0.95 0.34 0.00 -2.27 0.00 0.00 179.45 178.52 1a4i h ARG 293 N 1.06 1.03 -0.67 1.90 3.08 -0.51 0.53 114.38 120.82 1a4i h ARG 293 Ca 0.23 -0.15 0.09 0.00 0.07 0.00 0.00 59.98 60.21 1a4i h ARG 293 Cb 0.31 -0.19 -0.07 0.00 0.08 0.00 0.00 29.97 30.11 1a4i h ARG 293 CO -0.01 0.81 0.32 0.35 -1.07 0.00 0.00 179.97 180.38 1a4i h PHE 294 N 1.00 0.57 0.00 3.04 3.57 -0.98 -1.51 116.94 122.63 1a4i h PHE 294 Ca 0.25 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.67 1a4i h PHE 294 Cb 0.12 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1a4i h PHE 294 CO 0.01 0.21 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.72 1a4i h LEU 295 N 0.56 0.00 -0.02 0.59 3.38 -0.61 -3.52 115.31 115.69 1a4i h LEU 295 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1a4i h LEU 295 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1a4i h LEU 295 CO -0.26 0.51 0.00 -0.62 0.09 0.00 0.00 178.44 178.16