#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 2.49 0.58 0.00 0.04 -1.26 -4.89 135.00 131.96 1a4i s PRO 3 Ca 0.00 1.20 -0.19 0.00 0.04 0.00 0.00 61.00 62.05 1a4i s PRO 3 Cb 0.00 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 1a4i s PRO 3 CO 0.00 -1.47 0.86 0.00 0.04 0.00 0.00 177.00 176.43 1a4i n ALA 4 N -3.18 -0.14 -1.84 8.56 0.00 0.15 -4.97 120.51 119.09 1a4i n ALA 4 Ca 0.09 0.01 -0.40 0.00 0.00 0.00 0.00 53.44 53.14 1a4i n ALA 4 Cb 0.53 -2.04 -0.04 0.00 0.00 0.00 0.00 19.45 17.89 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 -2.56 4.66 -0.06 0.00 2.56 -0.51 -4.86 118.70 117.93 1a4i s GLU 5 Ca 0.73 1.74 -0.23 0.00 0.00 0.00 0.00 54.97 57.21 1a4i s GLU 5 Cb -0.43 -3.23 -0.04 0.00 2.00 0.00 0.00 34.13 32.43 1a4i s GLU 5 CO 0.49 0.22 0.68 0.42 -0.56 0.00 0.00 175.26 176.51 1a4i s ILE 6 N -0.91 5.02 -0.59 -3.70 1.01 -1.26 -1.21 121.20 119.56 1a4i s ILE 6 Ca 0.45 1.41 -0.20 0.00 0.00 0.00 0.00 60.65 62.31 1a4i s ILE 6 Cb -0.30 -4.02 0.08 0.00 0.01 0.00 0.00 42.46 38.22 1a4i s ILE 6 CO 0.38 0.28 0.77 -0.76 0.00 0.00 0.00 174.94 175.61 1a4i s LEU 7 N 0.64 4.94 -0.72 2.97 1.43 0.11 -4.89 118.68 123.15 1a4i s LEU 7 Ca 0.36 -1.13 -0.25 0.00 -1.03 0.00 0.00 54.13 52.08 1a4i s LEU 7 Cb -0.18 -2.40 0.05 0.00 0.03 0.00 0.00 46.19 43.69 1a4i s LEU 7 CO 0.18 -1.16 1.17 0.21 0.23 0.00 0.00 176.35 176.98 1a4i s ASN 8 N 3.39 6.19 0.36 2.29 3.84 -1.26 -4.37 114.94 125.37 1a4i s ASN 8 Ca 0.16 -0.72 0.09 0.00 0.21 0.00 0.00 52.86 52.61 1a4i s ASN 8 Cb -0.20 -2.51 0.69 0.00 -0.55 0.00 0.00 41.25 38.68 1a4i s ASN 8 CO 0.09 -1.67 1.85 1.23 -2.79 0.00 0.00 177.10 175.82 1a4i h GLY 9 N 12.36 0.24 0.82 1.21 0.00 -1.08 -0.29 103.07 116.32 1a4i h GLY 9 Ca -0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1a4i h GLY 9 CO 1.25 0.15 0.03 1.70 0.00 0.00 0.00 176.54 179.67 1a4i h LYS 10 N 0.20 0.16 -0.45 4.80 3.64 -1.80 0.04 116.57 123.17 1a4i h LYS 10 Ca 0.04 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1a4i h LYS 10 Cb 0.51 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1a4i h LYS 10 CO 0.03 0.33 -0.26 0.93 -2.27 0.00 0.00 179.45 178.21 1a4i h GLU 11 N -0.04 0.98 -0.29 1.90 5.08 -1.85 -1.81 114.58 118.56 1a4i h GLU 11 Ca 0.03 -0.45 -0.11 0.00 -1.00 0.00 0.00 59.36 57.84 1a4i h GLU 11 Cb 0.24 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1a4i h GLU 11 CO 0.00 1.12 -0.23 0.82 -1.00 0.00 0.00 179.01 179.71 1a4i h ILE 12 N 0.82 1.30 -0.90 3.13 2.04 -1.04 -2.14 117.51 120.72 1a4i h ILE 12 Ca 0.09 -1.38 0.01 0.00 1.00 0.00 0.00 64.86 64.58 1a4i h ILE 12 Cb 0.85 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 1a4i h ILE 12 CO 0.08 0.44 0.58 0.77 0.00 0.00 0.00 178.15 180.02 1a4i h SER 13 N 0.40 1.04 -0.86 1.72 4.64 -0.99 -1.51 113.55 117.99 1a4i h SER 13 Ca 0.05 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1a4i h SER 13 Cb 0.79 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.57 1a4i h SER 13 CO 0.06 0.77 0.46 0.00 -0.87 0.00 0.00 176.83 177.25 1a4i h ALA 14 N 1.32 1.18 -0.60 5.18 0.00 -1.00 -0.40 119.26 124.95 1a4i h ALA 14 Ca 0.33 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1a4i h ALA 14 Cb -0.12 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.30 1a4i h ALA 14 CO -0.07 0.65 0.16 1.96 0.00 0.00 0.00 179.25 181.95 1a4i h GLN 15 N 1.21 0.94 -0.26 0.00 4.20 -1.01 -0.93 115.11 119.26 1a4i h GLN 15 Ca 0.30 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1a4i h GLN 15 Cb 0.04 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1a4i h GLN 15 CO -0.05 0.86 0.12 0.82 -0.67 0.00 0.00 178.83 179.92 1a4i h ILE 16 N 0.86 1.15 -0.77 2.54 2.04 -0.94 0.06 117.51 122.45 1a4i h ILE 16 Ca 0.19 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1a4i h ILE 16 Cb 0.33 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1a4i h ILE 16 CO -0.00 0.15 0.37 0.03 0.00 0.00 0.00 178.15 178.70 1a4i h ARG 17 N 0.29 1.09 -0.57 2.37 3.08 -0.94 -0.70 114.38 119.01 1a4i h ARG 17 Ca 0.09 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1a4i h ARG 17 Cb 0.13 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1a4i h ARG 17 CO -0.01 0.84 0.23 0.00 -1.07 0.00 0.00 179.97 179.96 1a4i h ALA 18 N 1.32 0.74 -0.78 0.04 0.00 -0.82 -0.87 119.26 118.89 1a4i h ALA 18 Ca 0.26 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1a4i h ALA 18 Cb 0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1a4i h ALA 18 CO -0.03 0.35 0.37 0.00 0.00 0.00 0.00 179.25 179.94 1a4i h ARG 19 N 0.78 1.13 -0.64 0.00 3.08 -0.59 -2.19 114.38 115.95 1a4i h ARG 19 Ca 0.19 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1a4i h ARG 19 Cb 0.19 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1a4i h ARG 19 CO -0.02 0.87 0.15 -0.07 -1.07 0.00 0.00 179.97 179.83 1a4i h LEU 20 N 1.12 0.97 -0.41 3.04 3.38 -0.86 -0.48 115.31 122.07 1a4i h LEU 20 Ca 0.27 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1a4i h LEU 20 Cb 0.12 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1a4i h LEU 20 CO -0.03 0.96 0.16 0.50 0.09 0.00 0.00 178.44 180.12 1a4i h LYS 21 N 0.94 0.33 -0.74 1.13 3.64 -0.88 0.81 116.57 121.80 1a4i h LYS 21 Ca 0.20 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1a4i h LYS 21 Cb 0.37 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1a4i h LYS 21 CO 0.00 0.22 0.29 -0.91 -2.27 0.00 0.00 179.45 176.78 1a4i h ASN 22 N 0.34 1.03 -0.60 4.20 -0.26 -1.04 -0.41 115.58 118.84 1a4i h ASN 22 Ca 0.19 -0.18 0.01 0.00 -0.56 0.00 0.00 56.30 55.76 1a4i h ASN 22 Cb 0.15 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.11 1a4i h ASN 22 CO -0.17 0.93 0.39 1.56 -1.06 0.00 0.00 177.43 179.08 1a4i h GLN 23 N 1.07 0.76 -0.56 0.81 4.20 -0.54 -1.29 115.11 119.57 1a4i h GLN 23 Ca 0.25 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.80 1a4i h GLN 23 Cb 0.23 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1a4i h GLN 23 CO -0.02 0.51 -0.06 0.28 -0.67 0.00 0.00 178.83 178.87 1a4i h VAL 24 N 0.79 1.27 -0.43 -0.54 2.07 -0.50 -0.19 116.25 118.72 1a4i h VAL 24 Ca 0.22 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.56 1a4i h VAL 24 Cb -0.06 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1a4i h VAL 24 CO -0.06 0.43 0.23 0.74 0.02 0.00 0.00 177.57 178.93 1a4i h THR 25 N 0.91 1.00 -0.19 2.57 2.02 -0.90 -1.86 112.91 116.46 1a4i h THR 25 Ca 0.15 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 1a4i h THR 25 Cb 0.62 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1a4i h THR 25 CO 0.04 0.08 -0.33 1.56 0.37 0.00 0.00 175.52 177.24 1a4i h GLN 26 N 0.46 0.39 -0.58 6.66 1.08 -0.88 -1.79 115.11 120.45 1a4i h GLN 26 Ca 0.18 -0.16 -0.09 0.00 -1.45 0.00 0.00 58.65 57.13 1a4i h GLN 26 Cb 0.06 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 1a4i h GLN 26 CO -0.11 0.68 0.01 -0.07 -0.95 0.00 0.00 178.83 178.39 1a4i h LEU 27 N 0.33 1.00 -1.41 1.46 3.38 -0.63 0.13 115.31 119.57 1a4i h LEU 27 Ca 0.04 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1a4i h LEU 27 Cb 0.75 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1a4i h LEU 27 CO 0.06 1.05 -0.21 0.11 0.09 0.00 0.00 178.44 179.54 1a4i h LYS 28 N 0.91 0.13 0.03 1.13 1.57 -1.07 -0.77 116.57 118.49 1a4i h LYS 28 Ca 0.17 -0.03 -0.27 0.00 -1.87 0.00 0.00 60.65 58.65 1a4i h LYS 28 Cb 0.53 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 1a4i h LYS 28 CO 0.03 0.34 -1.41 0.93 -0.57 0.00 0.00 179.45 178.76 1a4i h GLU 29 N 0.12 0.06 -0.14 3.15 5.08 -0.82 -3.09 114.58 118.93 1a4i h GLU 29 Ca 0.02 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 1a4i h GLU 29 Cb 0.44 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1a4i h GLU 29 CO 0.03 0.82 -0.53 1.96 -1.00 0.00 0.00 179.01 180.30 1a4i h GLN 30 N 0.02 0.40 -2.56 2.33 1.08 -0.47 -3.37 115.11 112.54 1a4i h GLN 30 Ca -0.18 -0.24 -0.60 0.00 -1.45 0.00 0.00 58.65 56.18 1a4i h GLN 30 Cb 1.92 0.02 -0.40 0.00 -0.05 0.00 0.00 27.48 28.98 1a4i h GLN 30 CO 0.12 0.83 -0.79 0.28 -0.95 0.00 0.00 178.83 178.32 1a4i n VAL 31 N -3.95 0.42 -1.63 -0.54 0.31 -0.32 -5.09 118.33 107.52 1a4i n VAL 31 Ca -0.02 -4.29 -0.51 0.00 -0.01 0.00 0.00 64.34 59.50 1a4i n VAL 31 Cb 0.58 -1.96 -0.06 0.00 -0.91 0.00 0.00 33.84 31.50 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 2.04 1.49 0.00 5.55 -0.02 -1.17 -0.91 135.00 141.98 1a4i n PRO 32 Ca 0.25 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1a4i n PRO 32 Cb 0.43 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 3.11 2.90 3.76 -1.23 0.00 -1.26 -5.04 105.19 107.42 1a4i n GLY 33 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.88 2.82 -0.37 1.61 5.36 -0.09 -4.99 117.98 119.44 1a4i s PHE 34 Ca 0.00 1.03 0.01 0.00 -0.96 0.00 0.00 56.93 57.01 1a4i s PHE 34 Cb 0.00 -3.94 0.15 0.00 -0.34 0.00 0.00 43.02 38.89 1a4i s PHE 34 CO 0.00 -2.97 0.26 0.99 -1.46 0.00 0.00 175.22 172.04 1a4i s THR 35 N -0.44 0.14 0.13 0.12 2.01 -1.26 -4.67 115.64 111.68 1a4i s THR 35 Ca 0.58 -1.89 -0.35 0.00 0.31 0.00 0.00 61.69 60.35 1a4i s THR 35 Cb -0.45 -1.11 -0.17 0.00 0.01 0.00 0.00 72.50 70.79 1a4i s THR 35 CO 0.51 -1.02 1.17 -2.65 -0.69 0.00 0.00 174.62 171.95 1a4i n PRO 36 N 3.75 0.97 -3.80 4.92 -0.02 -1.26 -4.84 135.00 134.72 1a4i n PRO 36 Ca 0.16 0.35 -0.14 0.00 -2.02 0.00 0.00 63.50 61.85 1a4i n PRO 36 Cb 0.40 -1.86 -0.15 0.00 -0.02 0.00 0.00 33.50 31.87 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 -0.12 -0.01 0.03 -0.52 3.52 -1.26 -1.33 118.95 119.26 1a4i s ARG 37 Ca 0.78 0.15 0.05 0.00 -0.13 0.00 0.00 55.73 56.59 1a4i s ARG 37 Cb -0.93 -0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 32.26 1a4i s ARG 37 CO 0.51 -0.12 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.59 1a4i s LEU 38 N 0.75 2.86 0.05 -0.88 2.96 0.64 -1.07 118.68 123.99 1a4i s LEU 38 Ca -0.06 -0.31 0.08 0.00 -0.22 0.00 0.00 54.13 53.62 1a4i s LEU 38 Cb -0.09 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1a4i s LEU 38 CO -0.02 0.26 -0.22 0.00 -1.32 0.00 0.00 176.35 175.05 1a4i s ALA 39 N -0.97 1.91 -0.15 5.97 0.00 -0.49 -0.66 121.76 127.37 1a4i s ALA 39 Ca 0.16 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1a4i s ALA 39 Cb -0.11 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1a4i s ALA 39 CO 0.07 0.44 -0.18 0.42 0.00 0.00 0.00 175.76 176.51 1a4i s ILE 40 N -0.81 1.81 -0.21 0.00 1.01 0.56 -1.54 121.20 122.02 1a4i s ILE 40 Ca 0.09 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 1a4i s ILE 40 Cb -0.09 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1a4i s ILE 40 CO 0.02 0.50 0.10 -0.22 0.00 0.00 0.00 174.94 175.34 1a4i s LEU 41 N 1.22 3.90 -0.01 2.97 2.96 -0.04 -0.85 118.68 128.83 1a4i s LEU 41 Ca 0.01 0.07 0.07 0.00 -0.22 0.00 0.00 54.13 54.06 1a4i s LEU 41 Cb -0.14 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 1a4i s LEU 41 CO -0.08 0.11 -0.22 -1.58 -1.32 0.00 0.00 176.35 173.26 1a4i s GLN 42 N 0.76 1.76 -0.17 1.98 0.74 -0.01 -0.95 119.66 123.78 1a4i s GLN 42 Ca 0.05 -0.82 -0.01 0.00 0.05 0.00 0.00 55.36 54.63 1a4i s GLN 42 Cb -0.13 -1.73 -0.01 0.00 1.10 0.00 0.00 33.01 32.24 1a4i s GLN 42 CO 0.02 0.47 -0.10 0.08 -0.55 0.00 0.00 175.29 175.21 1a4i s VAL 43 N -0.56 3.09 0.00 1.34 1.01 -1.26 -0.29 120.40 123.73 1a4i s VAL 43 Ca 0.09 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1a4i s VAL 43 Cb -0.09 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1a4i s VAL 43 CO -0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1a4i n GLY 44 N 4.05 -1.21 2.73 4.51 0.00 0.13 -1.61 105.19 113.80 1a4i n GLY 44 Ca -0.18 -1.59 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 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 0.17 0.01 -4.75 1.61 5.15 -1.26 -4.66 115.26 111.52 1a4i n ASN 45 Ca 0.00 -2.29 -0.41 0.00 -0.60 0.00 0.00 54.58 51.28 1a4i n ASN 45 Cb 0.00 0.13 -0.02 0.00 -0.53 0.00 0.00 39.78 39.36 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 -1.78 4.20 0.14 1.20 0.52 -1.26 -4.91 118.95 117.06 1a4i s ARG 46 Ca 0.21 2.44 -0.18 0.00 -0.52 0.00 0.00 55.73 57.68 1a4i s ARG 46 Cb 0.40 -3.06 -0.02 0.00 0.52 0.00 0.00 34.95 32.79 1a4i s ARG 46 CO -0.06 -0.50 1.78 -0.44 0.02 0.00 0.00 175.30 176.10 1a4i h ASP 47 N 4.64 0.37 -0.42 0.23 3.32 -1.99 -0.65 116.42 121.91 1a4i h ASP 47 Ca -0.47 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 56.57 1a4i h ASP 47 Cb 1.22 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 1a4i h ASP 47 CO 0.76 0.29 0.25 -2.24 -1.72 0.00 0.00 179.24 176.58 1a4i h ASP 48 N 0.42 0.41 -0.67 6.45 3.04 -2.00 -1.53 116.42 122.55 1a4i h ASP 48 Ca 0.12 0.00 0.02 0.00 -3.24 0.00 0.00 57.03 53.93 1a4i h ASP 48 Cb -0.02 -0.09 -0.04 0.00 -1.04 0.00 0.00 39.33 38.14 1a4i h ASP 48 CO -0.02 0.30 0.43 0.28 -2.04 0.00 0.00 179.24 178.18 1a4i h SER 49 N 0.51 0.72 -0.79 4.15 0.02 -1.89 -0.50 113.55 115.77 1a4i h SER 49 Ca 0.17 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1a4i h SER 49 Cb -0.00 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 1a4i h SER 49 CO -0.07 0.50 0.42 0.78 -1.14 0.00 0.00 176.83 177.33 1a4i h ASN 50 N 0.85 1.01 -0.15 3.07 2.35 -0.71 0.11 115.58 122.10 1a4i h ASN 50 Ca 0.26 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1a4i h ASN 50 Cb -0.02 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 1a4i h ASN 50 CO -0.09 0.82 0.00 -0.07 -1.65 0.00 0.00 177.43 176.44 1a4i h LEU 51 N 1.12 0.27 -0.75 1.61 3.38 -0.30 -1.43 115.31 119.21 1a4i h LEU 51 Ca 0.28 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1a4i h LEU 51 Cb 0.05 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1a4i h LEU 51 CO -0.04 0.51 0.31 1.88 0.09 0.00 0.00 178.44 181.18 1a4i h TYR 52 N 0.02 1.14 -0.65 1.13 0.05 -0.81 -2.44 116.97 115.40 1a4i h TYR 52 Ca 0.04 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 1a4i h TYR 52 Cb 0.37 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 1a4i h TYR 52 CO 0.03 0.86 0.17 0.82 -1.05 0.00 0.00 178.16 179.00 1a4i h ILE 53 N 1.08 1.25 -0.97 -2.88 2.04 -0.68 -2.23 117.51 115.12 1a4i h ILE 53 Ca 0.25 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.23 1a4i h ILE 53 Cb 0.20 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1a4i h ILE 53 CO -0.02 0.35 0.64 -1.13 0.00 0.00 0.00 178.15 177.98 1a4i h ASN 54 N 0.96 1.09 -0.29 1.72 -1.24 -0.91 -0.44 115.58 116.45 1a4i h ASN 54 Ca 0.21 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.18 1a4i h ASN 54 Cb 0.34 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 1a4i h ASN 54 CO -0.00 0.76 0.12 0.58 -1.29 0.00 0.00 177.43 177.60 1a4i h VAL 55 N 1.27 1.18 -0.64 2.57 2.07 -1.25 -0.99 116.25 120.46 1a4i h VAL 55 Ca 0.37 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1a4i h VAL 55 Cb -0.07 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1a4i h VAL 55 CO -0.10 0.18 0.18 0.11 0.02 0.00 0.00 177.57 177.96 1a4i h LYS 56 N 0.33 1.01 -0.72 1.57 1.57 -0.80 -0.45 116.57 119.07 1a4i h LYS 56 Ca 0.10 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 1a4i h LYS 56 Cb 0.17 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1a4i h LYS 56 CO -0.01 0.90 0.23 -0.07 -0.57 0.00 0.00 179.45 179.93 1a4i h LEU 57 N 0.93 1.04 -0.60 2.94 3.38 -0.93 -1.19 115.31 120.88 1a4i h LEU 57 Ca 0.20 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1a4i h LEU 57 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1a4i h LEU 57 CO -0.00 0.97 -0.46 0.50 0.09 0.00 0.00 178.44 179.54 1a4i h LYS 58 N 1.06 0.58 -0.48 1.13 3.64 -0.91 -1.18 116.57 120.42 1a4i h LYS 58 Ca 0.23 -0.32 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 1a4i h LYS 58 Cb 0.30 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1a4i h LYS 58 CO -0.01 0.92 -0.14 0.00 -2.27 0.00 0.00 179.45 177.95 1a4i h ALA 59 N 1.03 0.66 -0.13 5.00 0.00 -0.72 -1.49 119.26 123.61 1a4i h ALA 59 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1a4i h ALA 59 Cb 0.98 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1a4i h ALA 59 CO 0.09 0.58 0.08 0.00 0.00 0.00 0.00 179.25 180.00 1a4i h ALA 60 N 0.88 0.16 -0.19 0.00 0.00 -1.01 -2.61 119.26 116.50 1a4i h ALA 60 Ca 0.12 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1a4i h ALA 60 Cb 0.70 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1a4i h ALA 60 CO 0.05 -0.34 -0.18 0.93 0.00 0.00 0.00 179.25 179.71 1a4i h GLU 61 N 0.15 0.32 0.00 0.00 4.39 -1.07 -0.59 114.58 117.78 1a4i h GLU 61 Ca 0.05 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 1a4i h GLU 61 Cb 0.01 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1a4i h GLU 61 CO -0.01 0.50 -0.34 1.49 -1.16 0.00 0.00 179.01 179.49 1a4i h GLU 62 N 0.30 0.00 0.00 2.33 4.57 -1.06 -2.41 114.58 118.31 1a4i h GLU 62 Ca 0.05 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 1a4i h GLU 62 Cb 0.50 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1a4i h GLU 62 CO 0.03 0.34 -0.39 0.82 -1.18 0.00 0.00 179.01 178.63 1a4i h ILE 63 N 0.00 0.74 0.00 2.32 2.04 -1.02 -3.47 117.51 118.12 1a4i h ILE 63 Ca -0.00 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.06 1a4i h ILE 63 Cb 0.63 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 1a4i h ILE 63 CO 0.04 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.19 1a4i n GLY 64 N 0.83 0.91 3.70 5.37 0.00 -0.60 -4.35 105.19 111.06 1a4i n GLY 64 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 4.85 -0.17 -0.61 1.01 -0.33 -4.74 121.20 119.21 1a4i s ILE 65 Ca 0.00 2.03 -0.29 0.00 0.00 0.00 0.00 60.65 62.39 1a4i s ILE 65 Cb 0.00 -4.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 1a4i s ILE 65 CO 0.00 0.12 1.31 -0.75 0.00 0.00 0.00 174.94 175.62 1a4i s LYS 66 N 1.28 4.18 -0.11 2.79 2.20 -0.44 -3.54 119.74 126.09 1a4i s LYS 66 Ca 0.50 1.66 0.03 0.00 -0.36 0.00 0.00 55.97 57.81 1a4i s LYS 66 Cb -0.20 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 1a4i s LYS 66 CO 0.25 -0.78 -0.23 0.00 -0.36 0.00 0.00 175.35 174.23 1a4i s ALA 67 N 3.70 2.17 -0.15 3.13 0.00 -1.26 -0.26 121.76 129.09 1a4i s ALA 67 Ca 0.57 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 1a4i s ALA 67 Cb -0.22 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1a4i s ALA 67 CO 0.17 0.17 -0.03 0.99 0.00 0.00 0.00 175.76 177.06 1a4i s THR 68 N 0.52 3.97 -0.19 0.00 2.01 0.16 -4.99 115.64 117.12 1a4i s THR 68 Ca -0.15 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 1a4i s THR 68 Cb -0.17 -2.74 -0.01 0.00 0.01 0.00 0.00 72.50 69.59 1a4i s THR 68 CO 0.05 0.50 -0.06 -2.28 -0.69 0.00 0.00 174.62 172.14 1a4i s HIS 69 N 0.27 2.95 -0.22 4.92 2.46 -1.26 -0.33 115.29 124.08 1a4i s HIS 69 Ca -0.03 -0.76 -0.05 0.00 0.47 0.00 0.00 55.06 54.70 1a4i s HIS 69 Cb -0.14 -2.03 -0.02 0.00 -0.13 0.00 0.00 32.58 30.26 1a4i s HIS 69 CO 0.03 -0.39 -0.01 0.42 -2.47 0.00 0.00 174.74 172.31 1a4i s ILE 70 N 1.08 3.66 -0.30 0.89 1.01 -0.03 -4.98 121.20 122.54 1a4i s ILE 70 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1a4i s ILE 70 Cb -0.15 -2.68 0.06 0.00 0.01 0.00 0.00 42.46 39.71 1a4i s ILE 70 CO -0.00 0.41 -0.01 -0.75 0.00 0.00 0.00 174.94 174.58 1a4i s LYS 71 N 1.43 2.25 0.17 2.79 2.20 -1.26 -0.83 119.74 126.49 1a4i s LYS 71 Ca 0.05 -1.40 -0.08 0.00 -0.36 0.00 0.00 55.97 54.19 1a4i s LYS 71 Cb -0.14 -3.13 -0.06 0.00 -1.51 0.00 0.00 37.83 32.98 1a4i s LYS 71 CO -0.01 -0.67 0.45 -0.51 -0.36 0.00 0.00 175.35 174.25 1a4i s LEU 72 N 1.16 4.24 0.78 5.43 1.43 0.60 -4.95 118.68 127.38 1a4i s LEU 72 Ca -0.04 0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 53.71 1a4i s LEU 72 Cb -0.20 -3.42 0.06 0.00 0.03 0.00 0.00 46.19 42.66 1a4i s LEU 72 CO -0.03 0.02 1.08 -2.16 0.23 0.00 0.00 176.35 175.49 1a4i s PRO 73 N -2.61 2.19 0.61 1.29 0.04 -1.26 0.20 135.00 135.46 1a4i s PRO 73 Ca 0.43 0.86 0.31 0.00 0.04 0.00 0.00 61.00 62.63 1a4i s PRO 73 Cb -0.12 -1.91 1.76 0.00 0.04 0.00 0.00 34.50 34.27 1a4i s PRO 73 CO 0.22 -1.60 2.11 0.00 0.04 0.00 0.00 177.00 177.78 1a4i h ARG 74 N -1.08 0.00 0.00 4.56 3.08 -1.86 -1.24 114.38 117.84 1a4i h ARG 74 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1a4i h ARG 74 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1a4i h ARG 74 CO 0.56 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.71 1a4i n THR 75 N -3.58 0.00 -2.06 2.04 -2.24 -1.26 -0.97 114.28 106.20 1a4i n THR 75 Ca 0.01 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 1a4i n THR 75 Cb 0.30 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.00 2.61 0.37 4.28 2.01 -0.47 -4.90 115.64 117.54 1a4i s THR 76 Ca 0.29 0.60 0.06 0.00 0.31 0.00 0.00 61.69 62.95 1a4i s THR 76 Cb 0.13 -3.38 -0.00 0.00 0.01 0.00 0.00 72.50 69.26 1a4i s THR 76 CO 0.23 0.14 0.52 0.42 -0.69 0.00 0.00 174.62 175.23 1a4i s THR 77 N -1.16 3.87 0.28 -0.82 -4.23 -1.26 -4.52 115.64 107.79 1a4i s THR 77 Ca 0.51 -0.91 -0.02 0.00 -1.18 0.00 0.00 61.69 60.08 1a4i s THR 77 Cb -0.40 -3.35 0.27 0.00 1.34 0.00 0.00 72.50 70.36 1a4i s THR 77 CO 0.54 -0.15 1.92 -0.08 -0.54 0.00 0.00 174.62 176.30 1a4i h GLU 78 N 0.75 1.14 -0.34 3.99 4.81 -1.94 -1.36 114.58 121.64 1a4i h GLU 78 Ca -0.45 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 58.65 1a4i h GLU 78 Cb 1.26 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1a4i h GLU 78 CO 0.52 0.76 -0.07 0.66 -0.73 0.00 0.00 179.01 180.15 1a4i h SER 79 N 1.18 0.53 -0.15 1.04 4.64 -1.96 -0.38 113.55 118.45 1a4i h SER 79 Ca 0.38 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 1a4i h SER 79 Cb 0.05 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1a4i h SER 79 CO -0.12 0.65 0.05 -0.33 -0.87 0.00 0.00 176.83 176.20 1a4i h GLU 80 N 0.52 0.24 -1.01 4.77 5.08 -1.67 -1.40 114.58 121.11 1a4i h GLU 80 Ca 0.10 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1a4i h GLU 80 Cb 0.44 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 1a4i h GLU 80 CO 0.02 0.35 0.67 0.28 -1.00 0.00 0.00 179.01 179.33 1a4i h VAL 81 N 0.07 1.26 -0.71 3.13 2.07 -0.73 -2.26 116.25 119.09 1a4i h VAL 81 Ca 0.05 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.14 1a4i h VAL 81 Cb 0.22 -0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 29.71 1a4i h VAL 81 CO -0.00 0.25 0.43 0.24 0.02 0.00 0.00 177.57 178.51 1a4i h MET 82 N 1.37 0.79 -0.66 1.57 2.86 -0.95 -0.96 114.93 118.95 1a4i h MET 82 Ca 0.37 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.90 1a4i h MET 82 Cb -0.16 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.29 1a4i h MET 82 CO -0.08 0.53 0.18 -0.22 1.06 0.00 0.00 176.91 178.38 1a4i h LYS 83 N 0.82 1.03 -0.59 1.72 1.63 -0.82 -1.15 116.57 119.21 1a4i h LYS 83 Ca 0.30 -0.22 -0.06 0.00 -0.85 0.00 0.00 60.65 59.81 1a4i h LYS 83 Cb 0.08 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 1a4i h LYS 83 CO -0.14 0.90 0.14 1.88 -3.45 0.00 0.00 179.45 178.78 1a4i h TYR 84 N 0.99 1.00 -0.45 1.91 0.05 -0.88 -0.86 116.97 118.74 1a4i h TYR 84 Ca 0.21 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 1a4i h TYR 84 Cb 0.32 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 1a4i h TYR 84 CO 0.02 0.85 0.22 0.82 -1.05 0.00 0.00 178.16 179.03 1a4i h ILE 85 N 0.86 1.18 -0.73 -2.88 2.04 -0.92 -1.11 117.51 115.96 1a4i h ILE 85 Ca 0.19 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.57 1a4i h ILE 85 Cb 0.36 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 1a4i h ILE 85 CO 0.00 0.20 0.45 0.74 0.00 0.00 0.00 178.15 179.54 1a4i h THR 86 N 0.58 1.08 -0.79 -0.27 2.02 -1.06 0.18 112.91 114.65 1a4i h THR 86 Ca 0.15 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1a4i h THR 86 Cb 0.11 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.62 1a4i h THR 86 CO -0.02 0.16 0.38 0.77 0.37 0.00 0.00 175.52 177.18 1a4i h SER 87 N 0.87 1.03 -0.00 4.18 4.64 -0.71 -0.43 113.55 123.13 1a4i h SER 87 Ca 0.30 -0.13 -0.17 0.00 -0.47 0.00 0.00 61.79 61.32 1a4i h SER 87 Cb 0.04 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1a4i h SER 87 CO -0.12 0.87 -0.56 -0.07 -0.87 0.00 0.00 176.83 176.08 1a4i h LEU 88 N 1.11 0.66 -0.86 5.97 3.38 -0.80 0.06 115.31 124.83 1a4i h LEU 88 Ca 0.27 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1a4i h LEU 88 Cb 0.11 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1a4i h LEU 88 CO -0.03 1.08 0.54 0.78 0.09 0.00 0.00 178.44 180.90 1a4i h ASN 89 N 0.45 0.89 1.01 -0.43 2.35 -0.21 -2.81 115.58 116.83 1a4i h ASN 89 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1a4i h ASN 89 Cb 1.11 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1a4i h ASN 89 CO 0.11 0.60 -0.25 -0.62 -1.65 0.00 0.00 177.43 175.62 1a4i n GLU 90 N -4.57 0.15 -2.46 0.81 4.71 -0.21 -4.80 120.64 114.27 1a4i n GLU 90 Ca 0.11 0.08 -0.42 0.00 -0.01 0.00 0.00 57.16 56.92 1a4i n GLU 90 Cb 0.12 -1.63 -0.02 0.00 -1.01 0.00 0.00 31.44 28.89 1a4i n GLU 90 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1a4i s ASP 91 N -3.74 6.32 0.00 1.62 -1.08 -0.03 -4.88 116.67 114.87 1a4i s ASP 91 Ca 0.11 0.38 0.14 0.00 -0.52 0.00 0.00 52.55 52.66 1a4i s ASP 91 Cb 0.15 -2.55 0.67 0.00 -1.46 0.00 0.00 42.92 39.74 1a4i s ASP 91 CO 0.63 -1.53 1.40 -1.54 0.52 0.00 0.00 175.17 174.64 1a4i n SER 92 N 8.91 0.00 0.09 -0.34 3.41 -1.26 -1.42 113.62 123.00 1a4i n SER 92 Ca 0.12 0.21 0.12 0.00 -0.26 0.00 0.00 58.87 59.07 1a4i n SER 92 Cb 0.49 -0.35 0.24 0.00 -0.26 0.00 0.00 64.21 64.32 1a4i n SER 92 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1a4i h THR 93 N 0.00 0.00 -3.86 6.66 1.35 -1.95 -3.44 112.91 111.67 1a4i h THR 93 Ca 0.00 -0.54 -0.65 0.00 -0.55 0.00 0.00 66.41 64.67 1a4i h THR 93 Cb 0.16 1.27 -0.18 0.00 -1.73 0.00 0.00 68.15 67.68 1a4i h THR 93 CO 0.00 0.00 -0.52 -0.69 -0.25 0.00 0.00 175.52 174.06 1a4i s VAL 94 N -3.16 5.25 -0.13 6.82 1.01 -0.51 -4.46 120.40 125.23 1a4i s VAL 94 Ca 0.07 0.10 0.17 0.00 0.00 0.00 0.00 61.98 62.32 1a4i s VAL 94 Cb 0.12 -3.53 -0.14 0.00 0.00 0.00 0.00 36.38 32.84 1a4i s VAL 94 CO 0.68 0.22 0.80 1.41 0.00 0.00 0.00 175.10 178.21 1a4i n HIS 95 N 5.06 0.94 -3.78 5.22 8.25 -0.23 -4.92 115.22 125.76 1a4i n HIS 95 Ca -0.14 0.31 -0.13 0.00 -0.26 0.00 0.00 57.72 57.51 1a4i n HIS 95 Cb 0.52 -1.07 -0.09 0.00 1.12 0.00 0.00 29.99 30.46 1a4i n HIS 95 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1a4i s GLY 96 N -4.80 -0.11 0.19 -1.41 0.00 -1.06 -4.41 107.32 95.71 1a4i s GLY 96 Ca -0.03 0.22 -0.16 0.00 0.00 0.00 0.00 44.72 44.75 1a4i s GLY 96 CO 0.81 0.02 0.47 -0.11 0.00 0.00 0.00 173.10 174.30 1a4i s PHE 97 N -1.39 -0.03 0.05 1.90 -0.71 -0.26 -1.39 117.98 116.14 1a4i s PHE 97 Ca -0.14 -0.32 -0.07 0.00 -1.04 0.00 0.00 56.93 55.37 1a4i s PHE 97 Cb -0.06 0.30 -0.01 0.00 -1.21 0.00 0.00 43.02 42.05 1a4i s PHE 97 CO 0.03 -0.87 0.14 -0.48 -1.34 0.00 0.00 175.22 172.71 1a4i s LEU 98 N -2.89 1.60 -0.30 -1.99 0.05 -0.59 -3.56 118.68 111.00 1a4i s LEU 98 Ca 0.10 -0.50 -0.12 0.00 0.05 0.00 0.00 54.13 53.66 1a4i s LEU 98 Cb -0.00 0.79 -0.04 0.00 -2.05 0.00 0.00 46.19 44.89 1a4i s LEU 98 CO -0.03 -0.56 0.23 -0.69 -0.55 0.00 0.00 176.35 174.75 1a4i s VAL 99 N -2.82 5.29 0.08 1.48 1.01 -1.26 -0.86 120.40 123.31 1a4i s VAL 99 Ca -0.03 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 1a4i s VAL 99 Cb 0.00 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1a4i s VAL 99 CO -0.05 0.14 1.42 -1.58 0.00 0.00 0.00 175.10 175.02 1a4i s GLN 100 N 1.78 4.30 0.20 2.72 2.00 -0.13 -4.95 119.66 125.58 1a4i s GLN 100 Ca 0.07 2.06 0.08 0.00 -2.00 0.00 0.00 55.36 55.58 1a4i s GLN 100 Cb -0.16 -3.38 -0.04 0.00 0.80 0.00 0.00 33.01 30.23 1a4i s GLN 100 CO 0.11 -0.50 -0.02 -0.51 -0.50 0.00 0.00 175.29 173.87 1a4i s LEU 101 N 1.63 3.23 0.46 3.68 1.43 -1.26 -4.18 118.68 123.67 1a4i s LEU 101 Ca 0.65 -0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 53.13 1a4i s LEU 101 Cb -0.35 -1.86 -0.07 0.00 0.03 0.00 0.00 46.19 43.93 1a4i s LEU 101 CO 0.29 0.07 0.89 -2.16 0.23 0.00 0.00 176.35 175.67 1a4i s PRO 102 N -3.08 3.89 0.54 1.29 0.04 -1.26 -4.97 135.00 131.45 1a4i s PRO 102 Ca 0.28 0.75 -0.21 0.00 0.04 0.00 0.00 61.00 61.85 1a4i s PRO 102 Cb -0.09 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 1a4i s PRO 102 CO 0.18 -0.15 1.25 -0.51 0.04 0.00 0.00 177.00 177.82 1a4i s LEU 103 N -3.92 3.82 -0.51 -3.56 1.43 -1.26 -4.90 118.68 109.79 1a4i s LEU 103 Ca 0.56 2.51 0.04 0.00 -1.03 0.00 0.00 54.13 56.21 1a4i s LEU 103 Cb -0.10 -4.38 0.13 0.00 0.03 0.00 0.00 46.19 41.87 1a4i s LEU 103 CO 0.30 -1.42 0.26 -0.62 0.23 0.00 0.00 176.35 175.10 1a4i s ASP 104 N -1.29 4.23 0.08 2.29 2.15 -0.63 -5.04 116.67 118.46 1a4i s ASP 104 Ca 0.72 -2.96 0.03 0.00 0.43 0.00 0.00 52.55 50.76 1a4i s ASP 104 Cb -0.34 -1.56 -0.03 0.00 -0.30 0.00 0.00 42.92 40.68 1a4i s ASP 104 CO 0.39 -0.24 -0.09 -0.55 -0.17 0.00 0.00 175.17 174.51 1a4i s SER 105 N -0.21 1.22 0.24 -0.34 0.15 -1.26 -2.97 113.70 110.53 1a4i s SER 105 Ca 0.17 -0.75 0.25 0.00 0.70 0.00 0.00 55.95 56.33 1a4i s SER 105 Cb -0.26 0.03 0.86 0.00 -1.71 0.00 0.00 66.02 64.94 1a4i s SER 105 CO 0.00 -0.26 1.76 -1.84 1.20 0.00 0.00 173.24 174.09 1a4i n GLU 106 N 0.81 0.25 -3.94 5.44 0.28 -0.15 -4.80 120.64 118.54 1a4i n GLU 106 Ca -0.18 0.29 -0.28 0.00 -0.16 0.00 0.00 57.16 56.83 1a4i n GLU 106 Cb 0.57 -1.85 -0.03 0.00 1.43 0.00 0.00 31.44 31.56 1a4i n GLU 106 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1a4i s ASN 107 N -4.52 6.34 0.03 -1.84 0.01 -1.26 -5.08 114.94 108.62 1a4i s ASN 107 Ca 0.08 0.21 -0.30 0.00 -0.71 0.00 0.00 52.86 52.14 1a4i s ASN 107 Cb 0.11 -1.93 -0.06 0.00 0.41 0.00 0.00 41.25 39.79 1a4i s ASN 107 CO 0.54 0.09 1.31 -0.44 -1.51 0.00 0.00 177.10 177.09 1a4i s SER 108 N -2.97 6.94 -0.06 -1.22 0.01 -1.26 -4.98 113.70 110.16 1a4i s SER 108 Ca 0.35 2.07 0.02 0.00 1.31 0.00 0.00 55.95 59.69 1a4i s SER 108 Cb -0.12 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.56 1a4i s SER 108 CO 0.28 -0.62 -0.09 -0.63 0.41 0.00 0.00 173.24 172.59 1a4i s ILE 109 N 1.79 0.91 -0.61 1.44 1.01 -1.26 -4.53 121.20 119.95 1a4i s ILE 109 Ca 0.61 -0.34 -0.27 0.00 0.00 0.00 0.00 60.65 60.65 1a4i s ILE 109 Cb -0.31 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.31 1a4i s ILE 109 CO 0.27 0.31 1.46 0.21 0.00 0.00 0.00 174.94 177.19 1a4i s ASN 110 N 0.81 5.99 0.18 3.58 3.84 -1.26 -4.89 114.94 123.20 1a4i s ASN 110 Ca -0.12 0.14 -0.12 0.00 0.21 0.00 0.00 52.86 52.96 1a4i s ASN 110 Cb -0.15 -2.55 0.10 0.00 -0.55 0.00 0.00 41.25 38.10 1a4i s ASN 110 CO 0.02 -1.85 1.81 0.74 -2.79 0.00 0.00 177.10 175.03 1a4i h THR 111 N 6.39 1.19 -0.96 -5.21 2.02 -1.99 -1.65 112.91 112.70 1a4i h THR 111 Ca -0.27 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 66.47 1a4i h THR 111 Cb 1.09 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 1a4i h THR 111 CO 1.21 0.21 0.63 -0.33 0.37 0.00 0.00 175.52 177.60 1a4i h GLU 112 N 0.86 1.20 -0.03 6.66 5.08 -2.00 -0.17 114.58 126.17 1a4i h GLU 112 Ca 0.22 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 1a4i h GLU 112 Cb 0.01 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 1a4i h GLU 112 CO -0.04 0.79 -0.60 0.93 -1.00 0.00 0.00 179.01 179.09 1a4i h GLU 113 N 1.24 0.11 -0.09 2.33 5.08 -1.85 -1.29 114.58 120.11 1a4i h GLU 113 Ca 0.37 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1a4i h GLU 113 Cb -0.05 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1a4i h GLU 113 CO -0.10 0.68 0.00 0.28 -1.00 0.00 0.00 179.01 178.87 1a4i h VAL 114 N 0.08 1.25 -0.61 3.13 2.07 -0.39 -2.14 116.25 119.64 1a4i h VAL 114 Ca -0.01 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 1a4i h VAL 114 Cb 1.09 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 1a4i h VAL 114 CO 0.09 0.22 0.16 0.40 0.02 0.00 0.00 177.57 178.45 1a4i h ILE 115 N -0.11 1.24 0.00 4.57 1.08 -1.01 -2.02 117.51 121.26 1a4i h ILE 115 Ca 0.03 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 1a4i h ILE 115 Cb 0.34 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 34.70 1a4i h ILE 115 CO 0.00 0.33 0.00 0.59 -0.69 0.00 0.00 178.15 178.38 1a4i n ASN 116 N -4.26 0.00 0.06 1.72 3.02 -0.49 -1.65 115.26 113.66 1a4i n ASN 116 Ca 0.05 -0.94 0.13 0.00 -0.03 0.00 0.00 54.58 53.78 1a4i n ASN 116 Cb 0.23 -0.01 0.33 0.00 -0.61 0.00 0.00 39.78 39.73 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 -1.01 2.64 -2.00 5.41 0.00 -0.76 -4.86 120.51 119.93 1a4i n ALA 117 Ca 0.23 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 1a4i n ALA 117 Cb 0.11 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 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 -3.10 3.34 0.18 0.00 1.01 -0.66 -4.84 121.20 117.13 1a4i s ILE 118 Ca 0.10 1.14 -0.31 0.00 0.00 0.00 0.00 60.65 61.57 1a4i s ILE 118 Cb 0.14 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.79 1a4i s ILE 118 CO 0.64 0.19 1.47 0.00 0.00 0.00 0.00 174.94 177.24 1a4i s ALA 119 N -0.09 3.67 0.52 9.38 0.00 -1.26 -4.86 121.76 129.12 1a4i s ALA 119 Ca 0.54 1.28 0.18 0.00 0.00 0.00 0.00 51.96 53.96 1a4i s ALA 119 Cb -0.35 -3.57 1.30 0.00 0.00 0.00 0.00 23.12 20.49 1a4i s ALA 119 CO 0.39 -0.71 2.13 -1.35 0.00 0.00 0.00 175.76 176.21 1a4i h PRO 120 N 6.16 0.00 0.00 0.00 0.11 -1.95 -0.53 132.00 135.79 1a4i h PRO 120 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1a4i h PRO 120 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1a4i h PRO 120 CO 0.85 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.79 1a4i n GLU 121 N -4.51 0.10 -0.03 1.05 0.00 -1.26 -2.26 120.64 113.74 1a4i n GLU 121 Ca -0.01 0.34 0.01 0.00 0.00 0.00 0.00 57.16 57.50 1a4i n GLU 121 Cb 0.16 -1.70 0.03 0.00 0.00 0.00 0.00 31.44 29.93 1a4i n GLU 121 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a4i n LYS 122 N -1.89 2.16 -2.65 3.44 5.02 -0.24 -4.87 118.16 119.13 1a4i n LYS 122 Ca 0.03 -1.40 -0.43 0.00 -2.02 0.00 0.00 58.31 54.48 1a4i n LYS 122 Cb 0.20 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.19 4.99 0.24 4.39 2.03 -0.96 -1.10 116.55 125.95 1a4i n ASP 123 Ca 0.02 -2.94 0.11 0.00 0.52 0.00 0.00 54.79 52.50 1a4i n ASP 123 Cb 0.24 -1.68 0.55 0.00 -0.72 0.00 0.00 41.12 39.51 1a4i n ASP 123 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1a4i h VAL 124 N 5.17 0.56 0.00 5.18 -1.51 -1.88 0.20 116.25 123.97 1a4i h VAL 124 Ca 0.41 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 1a4i h VAL 124 Cb 0.85 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 1a4i h VAL 124 CO 1.42 0.19 -0.05 0.47 -1.23 0.00 0.00 177.57 178.36 1a4i n ASP 125 N -3.47 0.55 -0.26 4.19 8.00 -1.26 -4.72 116.55 119.57 1a4i n ASP 125 Ca -0.01 0.50 -0.03 0.00 0.71 0.00 0.00 54.79 55.96 1a4i n ASP 125 Cb 0.37 -0.61 -0.01 0.00 -0.02 0.00 0.00 41.12 40.84 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 1.38 0.63 0.95 0.44 0.00 0.06 -3.82 105.19 104.82 1a4i n GLY 126 Ca 0.06 -0.42 0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.38 3.08 -4.71 0.99 4.77 -1.26 -4.21 117.00 115.27 1a4i n LEU 127 Ca -0.03 -1.38 -0.34 0.00 -0.03 0.00 0.00 56.01 54.22 1a4i n LEU 127 Cb 0.18 -0.16 0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1a4i n LEU 127 CO 0.05 0.64 0.81 0.42 -1.33 0.00 0.00 177.39 177.98 1a4i s THR 128 N -1.43 2.16 0.27 -5.08 -4.23 -1.26 -4.80 115.64 101.26 1a4i s THR 128 Ca 0.31 0.08 -0.03 0.00 -1.18 0.00 0.00 61.69 60.87 1a4i s THR 128 Cb 0.19 -2.67 0.16 0.00 1.34 0.00 0.00 72.50 71.52 1a4i s THR 128 CO 0.27 -0.04 1.82 0.28 -0.54 0.00 0.00 174.62 176.41 1a4i h SER 129 N -0.35 0.85 -0.27 3.99 0.02 -1.92 0.09 113.55 115.96 1a4i h SER 129 Ca -0.48 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 1a4i h SER 129 Cb 1.30 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 1a4i h SER 129 CO 0.49 0.80 0.18 0.40 -1.14 0.00 0.00 176.83 177.56 1a4i h ILE 130 N 0.89 1.08 -0.69 3.27 2.04 -1.96 0.11 117.51 122.24 1a4i h ILE 130 Ca 0.20 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 1a4i h ILE 130 Cb 0.26 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1a4i h ILE 130 CO -0.01 0.07 0.12 -1.13 0.00 0.00 0.00 178.15 177.21 1a4i h ASN 131 N 0.36 1.08 -0.84 1.72 -1.24 -1.79 -1.21 115.58 113.67 1a4i h ASN 131 Ca 0.10 -0.25 -0.03 0.00 0.71 0.00 0.00 56.30 56.83 1a4i h ASN 131 Cb -0.03 -0.29 -0.04 0.00 0.73 0.00 0.00 38.32 38.69 1a4i h ASN 131 CO -0.02 1.06 0.42 0.00 -1.29 0.00 0.00 177.43 177.60 1a4i h ALA 132 N 1.06 1.16 -0.55 1.57 0.00 -0.72 -0.04 119.26 121.74 1a4i h ALA 132 Ca 0.21 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1a4i h ALA 132 Cb 0.43 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1a4i h ALA 132 CO 0.01 0.65 0.05 0.78 0.00 0.00 0.00 179.25 180.73 1a4i h GLY 133 N 1.20 0.98 0.55 0.00 0.00 -0.53 0.72 103.07 105.98 1a4i h GLY 133 Ca 0.29 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1a4i h GLY 133 CO -0.04 0.60 -0.03 3.21 0.00 0.00 0.00 176.54 180.28 1a4i h ARG 134 N 0.85 0.07 -0.78 4.80 3.08 -0.70 -2.64 114.38 119.06 1a4i h ARG 134 Ca 0.17 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.21 1a4i h ARG 134 Cb 0.44 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 1a4i h ARG 134 CO 0.02 0.55 0.50 1.25 -1.07 0.00 0.00 179.97 181.21 1a4i h LEU 135 N -0.41 0.82 -1.77 3.04 5.85 -0.92 0.13 115.31 122.05 1a4i h LEU 135 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1a4i h LEU 135 Cb 0.54 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1a4i h LEU 135 CO 0.01 0.57 0.00 0.00 -0.34 0.00 0.00 178.44 178.67 1a4i h ALA 136 N 1.33 1.00 -0.33 1.25 0.00 -0.84 -2.41 119.26 119.25 1a4i h ALA 136 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1a4i h ALA 136 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1a4i h ALA 136 CO -0.11 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.68 1a4i n ARG 137 N -2.96 2.92 -0.41 0.00 5.12 -0.95 -4.99 116.66 115.40 1a4i n ARG 137 Ca -0.00 -2.32 0.00 0.00 -1.93 0.00 0.00 57.85 53.59 1a4i n ARG 137 Cb 0.23 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 0.22 0.76 2.51 -0.13 0.00 -0.91 -5.00 105.19 102.64 1a4i n GLY 138 Ca 0.15 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1a4i n GLY 138 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a4i n ASP 139 N 0.56 7.69 0.19 1.61 8.00 -0.01 -4.67 116.55 129.93 1a4i n ASP 139 Ca 0.00 -3.04 0.14 0.00 0.71 0.00 0.00 54.79 52.60 1a4i n ASP 139 Cb 0.00 -1.41 0.44 0.00 -0.02 0.00 0.00 41.12 40.12 1a4i n ASP 139 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1a4i h LEU 140 N 6.20 0.00 -1.30 0.64 -0.00 -1.89 -2.78 115.31 116.18 1a4i h LEU 140 Ca 0.69 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 58.50 1a4i h LEU 140 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 1a4i h LEU 140 CO 1.56 0.00 -0.31 -0.55 -0.00 0.00 0.00 178.44 179.14 1a4i h ASN 141 N 0.00 0.00 0.00 -0.43 -1.07 -1.99 -3.38 115.58 108.71 1a4i h ASN 141 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1a4i h ASN 141 Cb 0.67 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.92 1a4i h ASN 141 CO 0.00 0.31 0.00 -0.90 0.07 0.00 0.00 177.43 176.91 1a4i n ASP 142 N -3.77 0.03 -4.03 6.14 5.68 -1.22 -5.12 116.55 114.27 1a4i n ASP 142 Ca -0.01 -1.01 -0.30 0.00 -0.50 0.00 0.00 54.79 52.97 1a4i n ASP 142 Cb 0.40 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.59 1a4i n ASP 142 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a4i s PHE 144 N -3.42 3.37 -0.16 0.00 0.08 -1.26 -4.99 117.98 111.60 1a4i s PHE 144 Ca 0.72 0.25 -0.03 0.00 0.12 0.00 0.00 56.93 57.98 1a4i s PHE 144 Cb -0.07 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 1a4i s PHE 144 CO 0.54 0.58 -0.05 0.42 -0.10 0.00 0.00 175.22 176.62 1a4i s ILE 145 N -1.26 3.73 0.33 0.64 1.01 -1.26 -4.65 121.20 119.74 1a4i s ILE 145 Ca 0.25 -0.41 -0.26 0.00 0.00 0.00 0.00 60.65 60.23 1a4i s ILE 145 Cb -0.12 -2.64 -0.13 0.00 0.01 0.00 0.00 42.46 39.58 1a4i s ILE 145 CO 0.16 0.48 0.91 -2.65 0.00 0.00 0.00 174.94 173.85 1a4i n PRO 146 N 3.74 1.16 -0.32 2.79 -0.02 -1.25 -4.69 135.00 136.40 1a4i n PRO 146 Ca -0.17 0.41 -0.02 0.00 -2.02 0.00 0.00 63.50 61.69 1a4i n PRO 146 Cb 0.52 -1.79 0.14 0.00 -0.02 0.00 0.00 33.50 32.35 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 1.23 0.77 -0.42 0.00 2.02 -1.89 -1.63 112.91 112.99 1a4i h THR 148 Ca 0.32 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1a4i h THR 148 Cb -0.07 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1a4i h THR 148 CO -0.06 0.13 0.19 1.55 0.37 0.00 0.00 175.52 177.70 1a4i h PRO 149 N -0.71 0.58 -0.83 6.66 0.13 -1.78 -0.65 132.00 135.41 1a4i h PRO 149 Ca -0.04 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1a4i h PRO 149 Cb 0.48 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 31.46 1a4i h PRO 149 CO 0.06 0.46 0.47 -0.22 -0.23 0.00 0.00 178.00 178.54 1a4i h LYS 150 N 0.59 1.15 0.00 0.86 3.64 -1.23 -0.55 116.57 121.02 1a4i h LYS 150 Ca 0.15 -0.12 -0.18 0.00 -1.27 0.00 0.00 60.65 59.22 1a4i h LYS 150 Cb 0.08 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1a4i h LYS 150 CO -0.02 0.83 -0.85 0.78 -2.27 0.00 0.00 179.45 177.92 1a4i h GLY 151 N 1.18 0.09 0.97 5.01 0.00 -0.55 -2.22 103.07 107.55 1a4i h GLY 151 Ca 0.30 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 1a4i h GLY 151 CO -0.05 0.15 0.13 0.00 0.00 0.00 0.00 176.54 176.77 1a4i h LEU 153 N 0.27 0.71 -1.20 0.00 5.85 -0.90 -1.13 115.31 118.91 1a4i h LEU 153 Ca 0.08 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1a4i h LEU 153 Cb 0.03 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1a4i h LEU 153 CO -0.01 0.60 0.55 -0.08 -0.34 0.00 0.00 178.44 179.15 1a4i h GLU 154 N 0.76 1.06 -0.43 1.25 4.57 -1.13 0.24 114.58 120.90 1a4i h GLU 154 Ca 0.20 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.21 1a4i h GLU 154 Cb 0.05 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 1a4i h GLU 154 CO -0.03 0.70 -0.14 -0.07 -1.18 0.00 0.00 179.01 178.29 1a4i h LEU 155 N 1.09 0.88 -0.43 1.64 3.38 -0.79 -0.36 115.31 120.72 1a4i h LEU 155 Ca 0.31 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1a4i h LEU 155 Cb -0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 1a4i h LEU 155 CO -0.07 1.05 0.27 0.40 0.09 0.00 0.00 178.44 180.18 1a4i h ILE 156 N 0.69 1.09 0.00 1.22 2.04 -0.68 -1.95 117.51 119.91 1a4i h ILE 156 Ca 0.11 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 1a4i h ILE 156 Cb 0.69 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1a4i h ILE 156 CO 0.05 0.10 -0.17 0.11 0.00 0.00 0.00 178.15 178.24 1a4i h LYS 157 N 0.56 0.00 0.00 2.37 1.57 -0.56 -2.22 116.57 118.28 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 -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1a4i h LYS 157 CO -0.05 0.17 0.00 0.93 -0.57 0.00 0.00 179.45 179.93 1a4i h GLU 158 N 0.00 0.00 0.00 3.15 4.39 -0.26 -2.18 114.58 119.68 1a4i h GLU 158 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1a4i h GLU 158 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1a4i h GLU 158 CO 0.02 0.00 -0.20 1.79 -1.16 0.00 0.00 179.01 179.46 1a4i h THR 159 N 0.00 0.54 0.00 1.13 1.35 -1.38 -3.47 112.91 111.09 1a4i h THR 159 Ca 0.00 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1a4i h THR 159 Cb 0.35 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1a4i h THR 159 CO 0.00 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 1a4i n GLY 160 N 0.01 1.04 3.64 5.82 0.00 -0.82 -5.01 105.19 109.86 1a4i n GLY 160 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.91 5.02 0.34 1.61 1.01 -1.26 -5.03 120.40 118.18 1a4i s VAL 161 Ca 0.00 1.09 -0.28 0.00 0.00 0.00 0.00 61.98 62.79 1a4i s VAL 161 Cb 0.00 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.35 1a4i s VAL 161 CO 0.00 0.08 1.31 -2.65 0.00 0.00 0.00 175.10 173.83 1a4i n PRO 162 N 5.39 2.16 0.07 2.72 -0.02 -1.26 -4.88 135.00 139.17 1a4i n PRO 162 Ca -0.02 0.76 -0.13 0.00 -2.02 0.00 0.00 63.50 62.09 1a4i n PRO 162 Cb 0.49 -2.35 -0.14 0.00 -0.02 0.00 0.00 33.50 31.49 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 2.59 1.38 -2.91 4.25 2.04 -1.96 -3.45 117.51 119.46 1a4i h ILE 163 Ca -0.46 -3.04 -0.55 0.00 1.00 0.00 0.00 64.86 61.80 1a4i h ILE 163 Cb 1.28 2.81 0.08 0.00 -0.74 0.00 0.00 36.82 40.25 1a4i h ILE 163 CO 0.63 0.85 0.79 0.00 0.00 0.00 0.00 178.15 180.42 1a4i n ALA 164 N -2.53 1.96 -0.13 1.87 0.00 -1.21 -1.90 120.51 118.57 1a4i n ALA 164 Ca -0.10 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1a4i n ALA 164 Cb 1.01 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 2.45 2.56 3.83 0.00 0.00 -0.36 -4.91 105.19 108.77 1a4i n GLY 165 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.06 4.10 -0.32 1.61 0.52 -0.80 -4.73 118.95 119.27 1a4i s ARG 166 Ca 0.00 1.02 -0.21 0.00 -0.52 0.00 0.00 55.73 56.02 1a4i s ARG 166 Cb 0.00 -2.18 -0.00 0.00 0.52 0.00 0.00 34.95 33.28 1a4i s ARG 166 CO 0.00 -0.11 0.65 -1.58 0.02 0.00 0.00 175.30 174.28 1a4i s HIS 167 N -2.34 3.19 -0.09 -0.53 5.65 -1.26 -0.97 115.29 118.93 1a4i s HIS 167 Ca 0.60 0.52 -0.00 0.00 0.25 0.00 0.00 55.06 56.43 1a4i s HIS 167 Cb -0.09 -3.07 -0.03 0.00 -1.18 0.00 0.00 32.58 28.21 1a4i s HIS 167 CO 0.20 -0.54 -0.07 0.00 -0.65 0.00 0.00 174.74 173.69 1a4i s ALA 168 N 2.68 2.96 -0.11 1.58 0.00 -0.07 -0.18 121.76 128.62 1a4i s ALA 168 Ca 0.26 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1a4i s ALA 168 Cb -0.15 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.66 1a4i s ALA 168 CO 0.13 0.46 -0.19 0.08 0.00 0.00 0.00 175.76 176.24 1a4i s VAL 169 N -0.42 2.55 -0.14 0.00 1.01 0.44 -0.63 120.40 123.21 1a4i s VAL 169 Ca 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1a4i s VAL 169 Cb -0.12 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1a4i s VAL 169 CO 0.02 0.54 -0.15 -0.69 0.00 0.00 0.00 175.10 174.83 1a4i s VAL 170 N 0.30 2.80 -0.34 2.92 1.01 -0.20 -1.11 120.40 125.79 1a4i s VAL 170 Ca -0.14 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 1a4i s VAL 170 Cb -0.17 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1a4i s VAL 170 CO 0.07 0.52 0.14 -0.69 0.00 0.00 0.00 175.10 175.14 1a4i s VAL 171 N 0.59 4.18 0.00 2.92 1.01 0.18 -0.59 120.40 128.68 1a4i s VAL 171 Ca -0.09 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1a4i s VAL 171 Cb -0.16 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1a4i s VAL 171 CO 0.03 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1a4i n GLY 172 N 4.90 3.17 1.44 4.51 0.00 -0.02 -0.84 105.19 118.36 1a4i n GLY 172 Ca -0.13 -1.72 0.02 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.31 0.06 -1.26 1.61 1.85 -1.26 -4.37 116.66 112.97 1a4i n ARG 173 Ca 0.00 -1.83 -0.31 0.00 -1.00 0.00 0.00 57.85 54.72 1a4i n ARG 173 Cb 0.00 0.06 0.10 0.00 -1.05 0.00 0.00 32.46 31.57 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 -1.83 4.28 0.35 2.89 1.04 -1.26 -3.84 113.70 115.32 1a4i s SER 174 Ca 0.26 1.72 0.06 0.00 0.48 0.00 0.00 55.95 58.47 1a4i s SER 174 Cb 0.31 -2.42 0.65 0.00 0.10 0.00 0.00 66.02 64.66 1a4i s SER 174 CO -0.13 -2.16 1.88 0.11 0.98 0.00 0.00 173.24 173.92 1a4i h LYS 175 N -1.22 0.42 0.09 4.02 1.57 -1.99 0.08 116.57 119.55 1a4i h LYS 175 Ca -0.45 -0.10 -0.26 0.00 -1.87 0.00 0.00 60.65 57.98 1a4i h LYS 175 Cb 1.24 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 1a4i h LYS 175 CO 0.53 0.50 -1.16 0.82 -0.57 0.00 0.00 179.45 179.56 1a4i h ILE 176 N 0.40 1.54 0.00 1.86 1.08 -2.01 -3.41 117.51 116.97 1a4i h ILE 176 Ca 0.08 -3.08 0.00 0.00 -0.39 0.00 0.00 64.86 61.47 1a4i h ILE 176 Cb 0.37 2.88 0.00 0.00 -3.07 0.00 0.00 36.82 37.00 1a4i h ILE 176 CO 0.02 0.90 0.00 0.52 -0.69 0.00 0.00 178.15 178.89 1a4i n VAL 177 N -3.52 0.20 -0.18 1.67 0.31 -1.18 -4.49 118.33 111.15 1a4i n VAL 177 Ca -0.07 0.07 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1a4i n VAL 177 Cb 0.99 -0.62 0.02 0.00 -0.91 0.00 0.00 33.84 33.32 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 0.78 0.70 2.92 0.00 -1.72 -0.47 103.07 105.28 1a4i h GLY 178 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1a4i h GLY 178 CO 0.00 0.35 -0.08 0.00 0.00 0.00 0.00 176.54 176.80 1a4i h ALA 179 N 1.11 -0.23 -0.14 3.60 0.00 -1.08 -1.68 119.26 120.84 1a4i h ALA 179 Ca 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1a4i h ALA 179 Cb 0.06 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1a4i h ALA 179 CO -0.03 -0.48 -0.00 -1.00 0.00 0.00 0.00 179.25 177.74 1a4i h PRO 180 N -0.53 0.20 -0.47 0.00 0.13 -1.74 -2.24 132.00 127.35 1a4i h PRO 180 Ca -0.02 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.03 1a4i h PRO 180 Cb 0.40 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 1a4i h PRO 180 CO 0.04 0.23 0.09 1.98 -0.23 0.00 0.00 178.00 180.10 1a4i h MET 181 N 0.20 0.76 -0.90 0.86 4.05 -0.90 -1.00 114.93 118.00 1a4i h MET 181 Ca 0.05 -0.20 0.15 0.00 -0.28 0.00 0.00 59.70 59.42 1a4i h MET 181 Cb 0.15 -0.09 -0.09 0.00 -0.80 0.00 0.00 31.60 30.76 1a4i h MET 181 CO 0.00 0.77 0.50 1.25 0.23 0.00 0.00 176.91 179.66 1a4i h HIS 182 N 0.63 0.88 -0.43 1.39 -0.00 -0.70 -1.27 115.15 115.65 1a4i h HIS 182 Ca 0.14 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.40 1a4i h HIS 182 Cb 0.37 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 1a4i h HIS 182 CO 0.03 0.24 -0.31 -0.44 -0.00 0.00 0.00 177.93 177.44 1a4i h ASP 183 N 0.71 1.01 -0.66 3.26 3.32 -1.13 -0.63 116.42 122.31 1a4i h ASP 183 Ca 0.49 -0.43 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1a4i h ASP 183 Cb 0.66 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1a4i h ASP 183 CO -0.35 1.23 0.30 -0.07 -1.72 0.00 0.00 179.24 178.63 1a4i h LEU 184 N 0.81 0.88 -0.56 1.55 3.38 -0.91 -0.50 115.31 119.95 1a4i h LEU 184 Ca 0.08 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1a4i h LEU 184 Cb 0.90 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1a4i h LEU 184 CO 0.08 0.78 -0.58 -0.07 0.09 0.00 0.00 178.44 178.75 1a4i h LEU 185 N 0.91 0.49 -0.20 1.67 3.38 -0.83 -2.34 115.31 118.39 1a4i h LEU 185 Ca 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1a4i h LEU 185 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1a4i h LEU 185 CO -0.02 0.96 0.06 0.25 0.09 0.00 0.00 178.44 179.78 1a4i h LEU 186 N 0.33 0.28 -0.30 1.67 5.85 -0.97 -1.67 115.31 120.50 1a4i h LEU 186 Ca 0.00 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1a4i h LEU 186 Cb 1.11 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1a4i h LEU 186 CO 0.10 0.40 -0.00 0.79 -0.34 0.00 0.00 178.44 179.39 1a4i n TRP 187 N -4.81 0.00 0.06 1.25 7.02 -0.21 -0.78 117.44 119.98 1a4i n TRP 187 Ca -0.04 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.54 1a4i n TRP 187 Cb 0.14 -0.01 0.27 0.00 -2.42 0.00 0.00 31.31 29.30 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 -0.64 3.26 -0.30 -0.99 3.02 -0.89 -4.96 115.26 113.77 1a4i n ASN 188 Ca 0.22 -2.00 -0.04 0.00 -0.03 0.00 0.00 54.58 52.73 1a4i n ASN 188 Cb 0.19 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.94 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 1.28 -3.36 -4.81 6.41 3.02 0.04 -3.31 115.26 114.54 1a4i n ASN 189 Ca 0.20 0.09 -0.32 0.00 -0.03 0.00 0.00 54.58 54.52 1a4i n ASN 189 Cb 0.52 -1.29 0.02 0.00 -0.61 0.00 0.00 39.78 38.42 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 -2.14 2.72 -0.28 5.41 0.00 -0.67 -1.22 121.76 125.58 1a4i s ALA 190 Ca 0.00 0.29 -0.22 0.00 0.00 0.00 0.00 51.96 52.03 1a4i s ALA 190 Cb 0.00 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1a4i s ALA 190 CO 0.00 -0.94 0.71 0.99 0.00 0.00 0.00 175.76 176.52 1a4i s THR 191 N -2.65 4.89 -0.05 0.00 2.01 -0.15 -4.41 115.64 115.28 1a4i s THR 191 Ca 0.62 1.14 0.05 0.00 0.31 0.00 0.00 61.69 63.81 1a4i s THR 191 Cb -0.15 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1a4i s THR 191 CO 0.43 -0.11 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.34 1a4i s VAL 192 N 2.72 2.40 -0.15 3.82 1.01 -1.26 -0.89 120.40 128.05 1a4i s VAL 192 Ca 0.29 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 1a4i s VAL 192 Cb -0.15 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1a4i s VAL 192 CO 0.10 0.57 -0.13 -0.89 0.00 0.00 0.00 175.10 174.76 1a4i s THR 193 N -0.37 2.94 -0.16 3.92 2.01 0.20 -4.98 115.64 119.19 1a4i s THR 193 Ca 0.03 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.29 1a4i s THR 193 Cb -0.12 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1a4i s THR 193 CO 0.02 0.51 0.02 -0.89 -0.69 0.00 0.00 174.62 173.59 1a4i s THR 194 N 0.64 4.42 0.29 -0.82 2.01 -1.26 -1.04 115.64 119.88 1a4i s THR 194 Ca -0.07 -0.17 0.11 0.00 0.31 0.00 0.00 61.69 61.86 1a4i s THR 194 Cb -0.16 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 1a4i s THR 194 CO 0.03 0.49 -0.16 0.00 -0.69 0.00 0.00 174.62 174.28 1a4i n HIS 196 N -0.64 -0.83 0.29 0.00 1.44 -1.26 -0.84 115.22 113.39 1a4i n HIS 196 Ca -0.05 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.74 1a4i n HIS 196 Cb 0.61 0.00 0.38 0.00 0.12 0.00 0.00 29.99 31.10 1a4i n HIS 196 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1a4i n SER 197 N -0.83 0.36 -1.02 4.39 3.41 -1.26 -1.59 113.62 117.08 1a4i n SER 197 Ca 0.00 0.62 0.09 0.00 -0.26 0.00 0.00 58.87 59.32 1a4i n SER 197 Cb 0.00 -0.68 0.24 0.00 -0.26 0.00 0.00 64.21 63.50 1a4i n SER 197 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a4i n LYS 198 N -1.93 2.73 -2.21 4.33 4.76 -1.26 -4.96 118.16 119.61 1a4i n LYS 198 Ca 0.01 -2.35 -0.42 0.00 -2.87 0.00 0.00 58.31 52.69 1a4i n LYS 198 Cb 0.12 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 31.85 1a4i n LYS 198 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1a4i s THR 199 N -1.03 3.34 0.26 -0.18 2.01 -0.62 -5.02 115.64 114.40 1a4i s THR 199 Ca 0.37 1.01 -0.05 0.00 0.31 0.00 0.00 61.69 63.33 1a4i s THR 199 Cb 0.19 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 1a4i s THR 199 CO 0.25 0.10 0.51 0.00 -0.69 0.00 0.00 174.62 174.79 1a4i s ALA 200 N 0.76 3.67 -1.40 7.40 0.00 -1.26 -4.26 121.76 126.67 1a4i s ALA 200 Ca 0.61 -0.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.98 1a4i s ALA 200 Cb -0.36 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1a4i s ALA 200 CO 0.33 0.34 0.47 0.72 0.00 0.00 0.00 175.76 177.61 1a4i n HIS 201 N -0.73 -1.69 -0.36 0.00 8.25 -1.26 -4.82 115.22 114.61 1a4i n HIS 201 Ca -0.02 0.76 0.05 0.00 -0.26 0.00 0.00 57.72 58.25 1a4i n HIS 201 Cb 0.54 -3.84 0.21 0.00 1.12 0.00 0.00 29.99 28.02 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 -1.84 0.93 -0.90 2.41 5.85 -1.98 -1.23 115.31 118.55 1a4i h LEU 202 Ca -0.63 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.18 1a4i h LEU 202 Cb 1.37 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.19 1a4i h LEU 202 CO 0.62 0.53 0.57 -2.24 -0.34 0.00 0.00 178.44 177.58 1a4i h ASP 203 N 1.03 0.93 0.04 1.25 2.03 -1.96 0.35 116.42 120.08 1a4i h ASP 203 Ca 0.47 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.68 1a4i h ASP 203 Cb 0.38 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.66 1a4i h ASP 203 CO -0.24 0.62 -0.25 -0.33 -1.03 0.00 0.00 179.24 178.01 1a4i h GLU 204 N 1.08 0.36 -0.34 4.15 5.08 -1.60 -1.56 114.58 121.75 1a4i h GLU 204 Ca 0.37 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.45 1a4i h GLU 204 Cb 0.08 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1a4i h GLU 204 CO -0.14 0.59 -0.40 0.93 -1.00 0.00 0.00 179.01 178.99 1a4i h GLU 205 N 0.32 0.87 -0.22 2.33 4.39 -0.90 -3.08 114.58 118.29 1a4i h GLU 205 Ca 0.05 -0.48 -0.10 0.00 0.34 0.00 0.00 59.36 59.17 1a4i h GLU 205 Cb 0.62 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1a4i h GLU 205 CO 0.04 1.12 -0.27 0.28 -1.16 0.00 0.00 179.01 179.02 1a4i h VAL 206 N 0.66 1.27 0.00 3.13 2.07 -0.71 -2.29 116.25 120.39 1a4i h VAL 206 Ca 0.05 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1a4i h VAL 206 Cb 0.99 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1a4i h VAL 206 CO 0.10 0.40 0.00 -3.20 0.02 0.00 0.00 177.57 174.89 1a4i n ASN 207 N -4.11 0.00 -0.06 0.57 2.85 -0.61 -1.39 115.26 112.51 1a4i n ASN 207 Ca -0.01 0.04 0.12 0.00 -0.11 0.00 0.00 54.58 54.63 1a4i n ASN 207 Cb 0.41 -0.27 0.31 0.00 1.24 0.00 0.00 39.78 41.47 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 -1.27 0.23 -2.57 1.20 4.76 -0.86 -4.25 118.16 115.40 1a4i n LYS 208 Ca 0.07 -0.13 -0.43 0.00 -2.87 0.00 0.00 58.31 54.96 1a4i n LYS 208 Cb 0.11 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.79 1a4i n LYS 208 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1a4i s GLY 209 N -2.86 1.25 0.32 0.72 0.00 -0.48 -4.77 107.32 101.50 1a4i s GLY 209 Ca 0.15 -0.49 0.13 0.00 0.00 0.00 0.00 44.72 44.51 1a4i s GLY 209 CO 0.64 2.47 1.69 -0.55 0.00 0.00 0.00 173.10 177.35 1a4i h ASP 210 N 9.44 0.00 -3.75 1.64 3.32 -0.89 -3.40 116.42 122.77 1a4i h ASP 210 Ca -0.24 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.26 1a4i h ASP 210 Cb 1.06 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.30 1a4i h ASP 210 CO 1.13 0.50 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.69 1a4i s ILE 211 N -3.72 1.39 -0.07 0.35 1.01 -1.01 -1.06 121.20 118.09 1a4i s ILE 211 Ca -0.01 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1a4i s ILE 211 Cb 0.12 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.41 1a4i s ILE 211 CO 0.73 0.40 -0.06 -0.22 0.00 0.00 0.00 174.94 175.79 1a4i s LEU 212 N 0.20 1.25 -0.14 2.97 2.96 0.23 -0.42 118.68 125.73 1a4i s LEU 212 Ca -0.07 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1a4i s LEU 212 Cb -0.13 -0.61 0.02 0.00 0.50 0.00 0.00 46.19 45.97 1a4i s LEU 212 CO 0.03 -0.07 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.12 1a4i s VAL 213 N 1.18 1.77 -0.16 1.68 1.01 -0.26 -0.49 120.40 125.12 1a4i s VAL 213 Ca -0.06 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 1a4i s VAL 213 Cb -0.14 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 1a4i s VAL 213 CO -0.02 0.49 -0.13 -0.69 0.00 0.00 0.00 175.10 174.75 1a4i s VAL 214 N 1.10 2.83 -0.45 2.92 1.01 -0.26 -0.64 120.40 126.91 1a4i s VAL 214 Ca -0.02 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1a4i s VAL 214 Cb -0.14 -2.21 0.18 0.00 0.00 0.00 0.00 36.38 34.20 1a4i s VAL 214 CO -0.06 0.50 0.50 0.00 0.00 0.00 0.00 175.10 176.04 1a4i s ALA 215 N 0.85 -0.10 0.00 5.51 0.00 -0.02 -1.06 121.76 126.94 1a4i s ALA 215 Ca -0.04 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1a4i s ALA 215 Cb -0.15 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1a4i s ALA 215 CO -0.00 -2.09 0.00 0.25 0.00 0.00 0.00 175.76 173.92 1a4i n THR 216 N 2.95 0.00 -1.18 0.00 -2.24 -1.26 -4.31 114.28 108.24 1a4i n THR 216 Ca 0.24 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.96 1a4i n THR 216 Cb 0.51 -0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.13 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 2.68 0.86 3.16 3.38 0.00 -1.26 -4.98 105.19 109.02 1a4i n GLY 217 Ca 0.00 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.39 2.20 0.11 1.61 -1.52 -1.26 -5.05 119.66 113.36 1a4i s GLN 218 Ca 0.00 -1.80 -0.31 0.00 -1.95 0.00 0.00 55.36 51.30 1a4i s GLN 218 Cb 0.00 -3.72 -0.10 0.00 -0.22 0.00 0.00 33.01 28.97 1a4i s GLN 218 CO 0.00 -1.12 1.78 -1.25 -0.25 0.00 0.00 175.29 174.45 1a4i s PRO 219 N 1.23 4.15 -1.26 2.91 0.04 -1.26 -2.16 135.00 138.66 1a4i s PRO 219 Ca 0.07 2.52 -0.11 0.00 0.04 0.00 0.00 61.00 63.52 1a4i s PRO 219 Cb -0.24 -3.59 0.10 0.00 0.04 0.00 0.00 34.50 30.80 1a4i s PRO 219 CO -0.03 -0.81 0.47 0.39 0.04 0.00 0.00 177.00 177.07 1a4i n GLU 220 N 5.64 -2.93 0.01 4.56 1.02 0.51 -4.84 120.64 124.61 1a4i n GLU 220 Ca 0.17 0.36 -0.09 0.00 -0.02 0.00 0.00 57.16 57.59 1a4i n GLU 220 Cb 0.39 -5.03 0.06 0.00 -0.02 0.00 0.00 31.44 26.84 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 -0.89 0.52 -6.23 3.49 4.05 -1.17 -3.37 114.93 111.33 1a4i h MET 221 Ca -0.42 -0.33 -0.58 0.00 -0.28 0.00 0.00 59.70 58.09 1a4i h MET 221 Cb 1.28 0.04 -0.10 0.00 -0.80 0.00 0.00 31.60 32.02 1a4i h MET 221 CO 0.55 0.94 0.79 0.08 0.23 0.00 0.00 176.91 179.50 1a4i s VAL 222 N -3.96 4.17 0.59 -5.77 1.01 -0.82 -4.93 120.40 110.69 1a4i s VAL 222 Ca -0.07 0.58 -0.10 0.00 0.00 0.00 0.00 61.98 62.39 1a4i s VAL 222 Cb 0.11 -4.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 1a4i s VAL 222 CO 0.84 -1.27 0.98 -0.54 0.00 0.00 0.00 175.10 175.10 1a4i s LYS 223 N 4.54 3.60 0.25 2.72 -0.14 -1.26 -0.42 119.74 129.03 1a4i s LYS 223 Ca 0.37 0.65 -0.04 0.00 -1.36 0.00 0.00 55.97 55.58 1a4i s LYS 223 Cb -0.10 -2.14 0.35 0.00 -1.68 0.00 0.00 37.83 34.26 1a4i s LYS 223 CO 0.22 -0.49 1.87 0.78 -0.76 0.00 0.00 175.35 176.97 1a4i h GLY 224 N -0.16 1.40 2.00 -3.33 0.00 -1.85 -1.58 103.07 99.55 1a4i h GLY 224 Ca -0.45 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.45 1a4i h GLY 224 CO 0.62 0.32 -0.00 -2.09 0.00 0.00 0.00 176.54 175.38 1a4i h GLU 225 N 1.09 0.00 0.00 4.80 4.57 -1.93 -2.08 114.58 121.03 1a4i h GLU 225 Ca 0.40 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.49 1a4i h GLU 225 Cb 0.14 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1a4i h GLU 225 CO -0.16 0.00 -0.40 -1.49 -1.18 0.00 0.00 179.01 175.78 1a4i h TRP 226 N 0.00 0.00 -2.87 0.92 4.06 -1.62 -3.46 115.95 112.98 1a4i h TRP 226 Ca -0.00 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.42 1a4i h TRP 226 Cb 0.01 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 28.21 1a4i h TRP 226 CO 0.00 0.40 0.85 0.42 -3.56 0.00 0.00 178.44 176.55 1a4i s ILE 227 N -3.31 2.74 0.08 1.49 -1.09 -0.78 -2.41 121.20 117.92 1a4i s ILE 227 Ca 0.02 0.53 -0.31 0.00 -2.23 0.00 0.00 60.65 58.66 1a4i s ILE 227 Cb 0.09 -3.34 -0.07 0.00 -1.58 0.00 0.00 42.46 37.56 1a4i s ILE 227 CO 0.70 0.04 1.43 -0.75 -1.23 0.00 0.00 174.94 175.14 1a4i s LYS 228 N 1.08 4.29 0.04 2.79 2.20 -1.26 -4.93 119.74 123.96 1a4i s LYS 228 Ca 0.69 2.09 -0.35 0.00 -0.36 0.00 0.00 55.97 58.04 1a4i s LYS 228 Cb -0.42 -3.36 -0.14 0.00 -1.51 0.00 0.00 37.83 32.39 1a4i s LYS 228 CO 0.31 -0.51 1.61 -2.30 -0.36 0.00 0.00 175.35 174.10 1a4i n PRO 229 N 4.49 1.81 -0.44 4.03 -0.02 -1.26 -0.95 135.00 142.65 1a4i n PRO 229 Ca 0.12 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1a4i n PRO 229 Cb 0.42 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 3.51 0.73 3.70 -1.23 0.00 -0.03 -4.97 105.19 106.90 1a4i n GLY 230 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.80 1.69 -0.27 4.61 0.00 -0.12 -3.64 121.76 121.22 1a4i s ALA 231 Ca 0.00 0.40 -0.15 0.00 0.00 0.00 0.00 51.96 52.20 1a4i s ALA 231 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1a4i s ALA 231 CO 0.00 -2.41 0.40 0.42 0.00 0.00 0.00 175.76 174.17 1a4i s ILE 232 N -2.76 5.15 -0.22 0.00 1.01 -0.22 -0.50 121.20 123.66 1a4i s ILE 232 Ca 0.64 0.61 -0.00 0.00 0.00 0.00 0.00 60.65 61.91 1a4i s ILE 232 Cb -0.20 -3.72 0.03 0.00 0.01 0.00 0.00 42.46 38.57 1a4i s ILE 232 CO 0.57 0.14 -0.12 -0.69 0.00 0.00 0.00 174.94 174.84 1a4i s VAL 233 N 2.11 2.48 -0.25 2.92 1.01 -0.16 -0.61 120.40 127.91 1a4i s VAL 233 Ca 0.16 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1a4i s VAL 233 Cb -0.16 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1a4i s VAL 233 CO 0.10 0.32 -0.02 -0.63 0.00 0.00 0.00 175.10 174.87 1a4i s ILE 234 N 1.29 3.27 -0.29 2.22 -1.09 0.36 -1.77 121.20 125.18 1a4i s ILE 234 Ca 0.01 -0.80 -0.04 0.00 -2.23 0.00 0.00 60.65 57.60 1a4i s ILE 234 Cb -0.15 -2.62 0.03 0.00 -1.58 0.00 0.00 42.46 38.14 1a4i s ILE 234 CO -0.08 0.23 0.02 -0.62 -1.23 0.00 0.00 174.94 173.26 1a4i s ASP 235 N 1.41 4.86 0.00 3.58 -1.08 -1.26 -1.10 116.67 123.07 1a4i s ASP 235 Ca 0.02 -1.03 0.27 0.00 -0.52 0.00 0.00 52.55 51.28 1a4i s ASP 235 Cb -0.16 -1.76 0.79 0.00 -1.46 0.00 0.00 42.92 40.33 1a4i s ASP 235 CO -0.03 -0.22 1.60 0.00 0.52 0.00 0.00 175.17 177.04 1a4i s GLY 237 N -2.85 2.95 -0.32 0.00 0.00 -1.26 -4.94 107.32 100.90 1a4i s GLY 237 Ca 0.16 1.36 0.00 0.00 0.00 0.00 0.00 44.72 46.25 1a4i s GLY 237 CO 0.61 1.99 0.10 -0.42 0.00 0.00 0.00 173.10 175.38 1a4i s ILE 238 N -1.19 1.16 -0.14 0.90 1.01 -1.26 -4.26 121.20 117.42 1a4i s ILE 238 Ca 0.55 -1.64 0.01 0.00 0.00 0.00 0.00 60.65 59.57 1a4i s ILE 238 Cb -0.41 -1.87 0.02 0.00 0.01 0.00 0.00 42.46 40.20 1a4i s ILE 238 CO 0.54 -0.68 -0.16 0.20 0.00 0.00 0.00 174.94 174.85 1a4i s ASN 239 N 1.41 2.67 -0.03 3.58 0.01 -0.05 -4.98 114.94 117.56 1a4i s ASN 239 Ca 0.10 -0.49 -0.17 0.00 -0.71 0.00 0.00 52.86 51.60 1a4i s ASN 239 Cb -0.18 -1.19 -0.05 0.00 0.41 0.00 0.00 41.25 40.23 1a4i s ASN 239 CO -0.21 -0.02 0.45 -0.31 -1.51 0.00 0.00 177.10 175.51 1a4i s TYR 240 N 1.25 3.67 -0.05 2.20 2.02 -1.26 -0.82 117.35 124.35 1a4i s TYR 240 Ca 0.00 1.00 -0.00 0.00 -0.37 0.00 0.00 57.07 57.69 1a4i s TYR 240 Cb -0.14 -2.41 0.03 0.00 -0.40 0.00 0.00 41.96 39.04 1a4i s TYR 240 CO -0.07 0.47 -0.01 0.08 -1.57 0.00 0.00 175.55 174.45 1a4i s VAL 241 N -0.49 0.38 0.22 0.71 1.01 -0.24 -4.97 120.40 117.01 1a4i s VAL 241 Ca 0.25 0.05 -0.32 0.00 0.00 0.00 0.00 61.98 61.96 1a4i s VAL 241 Cb -0.17 -0.48 -0.14 0.00 0.00 0.00 0.00 36.38 35.59 1a4i s VAL 241 CO 0.13 0.23 1.44 -2.65 0.00 0.00 0.00 175.10 174.25 1a4i n PRO 242 N 4.64 2.03 -3.26 2.72 -0.02 -1.26 -0.57 135.00 139.29 1a4i n PRO 242 Ca -0.16 0.73 -0.04 0.00 -2.02 0.00 0.00 63.50 62.01 1a4i n PRO 242 Cb 0.50 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 1a4i n PRO 242 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1a4i s ASP 243 N 0.43 -0.36 0.15 2.55 -1.08 -0.68 -4.73 116.67 112.94 1a4i s ASP 243 Ca 0.71 0.06 0.17 0.00 -0.52 0.00 0.00 52.55 52.97 1a4i s ASP 243 Cb -0.66 1.48 0.75 0.00 -1.46 0.00 0.00 42.92 43.02 1a4i s ASP 243 CO 0.47 -0.32 1.52 -0.90 0.52 0.00 0.00 175.17 176.46 1a4i n ASP 244 N 5.38 0.34 -0.06 -0.34 5.68 -1.26 -1.99 116.55 124.30 1a4i n ASP 244 Ca 0.00 0.61 0.15 0.00 -0.50 0.00 0.00 54.79 55.05 1a4i n ASP 244 Cb 0.51 -0.67 0.80 0.00 -1.14 0.00 0.00 41.12 40.62 1a4i n ASP 244 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1a4i n LYS 245 N -1.90 0.85 -3.85 0.11 5.02 -1.26 -4.77 118.16 112.35 1a4i n LYS 245 Ca 0.02 -0.13 -0.26 0.00 -2.02 0.00 0.00 58.31 55.92 1a4i n LYS 245 Cb 0.14 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 1a4i n LYS 245 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a4i s LYS 246 N -2.24 3.46 0.23 1.97 -0.14 -0.84 -5.02 119.74 117.16 1a4i s LYS 246 Ca 0.38 -0.54 -0.08 0.00 -1.36 0.00 0.00 55.97 54.38 1a4i s LYS 246 Cb 0.21 -2.91 0.37 0.00 -1.68 0.00 0.00 37.83 33.82 1a4i s LYS 246 CO 0.41 0.46 1.69 -1.35 -0.76 0.00 0.00 175.35 175.80 1a4i h PRO 247 N 1.89 0.24 -0.69 -1.68 0.11 -1.88 0.02 132.00 130.02 1a4i h PRO 247 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1a4i h PRO 247 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1a4i h PRO 247 CO 0.67 0.16 0.00 0.27 -0.21 0.00 0.00 178.00 178.89 1a4i n ASN 248 N -5.16 3.78 -0.06 -2.05 6.94 -1.26 -4.95 115.26 112.50 1a4i n ASN 248 Ca 0.11 -2.00 -0.01 0.00 -0.02 0.00 0.00 54.58 52.67 1a4i n ASN 248 Cb 0.39 -0.46 -0.00 0.00 -2.36 0.00 0.00 39.78 37.35 1a4i n ASN 248 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a4i n GLY 249 N 1.62 0.48 3.25 4.83 0.00 -0.01 -5.00 105.19 110.36 1a4i n GLY 249 Ca 0.23 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 1a4i n GLY 249 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a4i s ARG 250 N -0.86 0.80 0.29 1.61 1.70 -1.20 -1.69 118.95 119.59 1a4i s ARG 250 Ca 0.00 -0.51 0.11 0.00 -0.47 0.00 0.00 55.73 54.86 1a4i s ARG 250 Cb 0.00 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.68 1a4i s ARG 250 CO 0.00 -0.25 -0.11 -1.59 -1.08 0.00 0.00 175.30 172.26 1a4i s LYS 251 N -2.53 1.91 -0.13 3.89 -2.85 0.26 -4.76 119.74 115.53 1a4i s LYS 251 Ca -0.05 -1.68 -0.01 0.00 -1.00 0.00 0.00 55.97 53.24 1a4i s LYS 251 Cb -0.01 -1.90 -0.02 0.00 -2.06 0.00 0.00 37.83 33.84 1a4i s LYS 251 CO -0.03 0.31 -0.11 0.08 0.10 0.00 0.00 175.35 175.70 1a4i s VAL 252 N -2.46 3.28 0.16 1.79 1.01 -1.26 -1.08 120.40 121.83 1a4i s VAL 252 Ca 0.31 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.79 1a4i s VAL 252 Cb -0.04 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1a4i s VAL 252 CO 0.17 0.52 -0.19 0.68 0.00 0.00 0.00 175.10 176.29 1a4i s VAL 253 N 0.25 1.82 0.00 2.92 -7.23 0.00 -4.11 120.40 114.05 1a4i s VAL 253 Ca -0.07 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1a4i s VAL 253 Cb -0.15 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 34.97 1a4i s VAL 253 CO 0.05 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1a4i n GLY 254 N 0.38 -0.17 0.64 2.32 0.00 -1.26 -0.87 105.19 106.24 1a4i n GLY 254 Ca -0.14 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.08 1.97 -4.34 1.61 8.00 -1.26 -0.36 116.55 120.09 1a4i n ASP 255 Ca 0.00 -1.69 -0.31 0.00 0.71 0.00 0.00 54.79 53.50 1a4i n ASP 255 Cb 0.00 -0.06 -0.15 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.88 2.22 -0.88 2.53 1.01 -1.26 -1.95 120.40 120.20 1a4i s VAL 256 Ca 0.35 -1.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.00 1a4i s VAL 256 Cb 0.20 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.81 1a4i s VAL 256 CO 0.30 0.56 1.48 0.00 0.00 0.00 0.00 175.10 177.44 1a4i s ALA 257 N -0.65 2.57 0.20 5.51 0.00 0.44 -4.54 121.76 125.28 1a4i s ALA 257 Ca 0.10 -1.74 -0.10 0.00 0.00 0.00 0.00 51.96 50.22 1a4i s ALA 257 Cb -0.10 -4.42 0.14 0.00 0.00 0.00 0.00 23.12 18.74 1a4i s ALA 257 CO -0.00 -3.66 1.85 -0.92 0.00 0.00 0.00 175.76 173.02 1a4i h TYR 258 N 10.46 0.96 -0.51 0.00 3.20 -1.96 -0.09 116.97 129.03 1a4i h TYR 258 Ca -0.01 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1a4i h TYR 258 Cb 1.04 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 1a4i h TYR 258 CO 1.20 0.64 0.34 -0.44 -1.64 0.00 0.00 178.16 178.26 1a4i h ASP 259 N 0.99 0.56 0.31 -2.11 3.32 -2.00 0.65 116.42 118.15 1a4i h ASP 259 Ca 0.26 -0.01 -0.33 0.00 0.02 0.00 0.00 57.03 56.97 1a4i h ASP 259 Cb -0.04 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 1a4i h ASP 259 CO -0.05 0.40 -1.88 -0.62 -1.72 0.00 0.00 179.24 175.37 1a4i n GLU 260 N -4.46 0.68 0.21 3.56 4.71 -1.07 -4.20 120.64 120.07 1a4i n GLU 260 Ca 0.05 0.26 0.06 0.00 -0.01 0.00 0.00 57.16 57.52 1a4i n GLU 260 Cb 0.07 -1.74 0.46 0.00 -1.01 0.00 0.00 31.44 29.22 1a4i n GLU 260 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a4i h ALA 261 N 0.64 1.34 0.00 0.62 0.00 -0.49 -2.77 119.26 118.59 1a4i h ALA 261 Ca -0.36 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1a4i h ALA 261 Cb 2.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1a4i h ALA 261 CO 0.07 0.36 0.00 1.57 0.00 0.00 0.00 179.25 181.25 1a4i h LYS 262 N 0.00 0.00 0.00 0.00 2.10 -1.05 0.16 116.57 117.78 1a4i h LYS 262 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1a4i h LYS 262 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1a4i h LYS 262 CO 0.04 0.00 -0.28 0.93 -2.00 0.00 0.00 179.45 178.13 1a4i h GLU 263 N 0.00 0.00 0.00 0.07 4.39 -1.68 0.42 114.58 117.78 1a4i h GLU 263 Ca 0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 1a4i h GLU 263 Cb 0.38 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.97 1a4i h GLU 263 CO 0.00 0.00 -2.22 0.54 -1.16 0.00 0.00 179.01 176.17 1a4i n ARG 264 N -2.61 0.52 -1.22 2.33 5.12 -0.53 -4.74 116.66 115.53 1a4i n ARG 264 Ca 0.04 0.14 -0.31 0.00 -1.93 0.00 0.00 57.85 55.79 1a4i n ARG 264 Cb 0.49 -1.40 0.11 0.00 -1.16 0.00 0.00 32.46 30.50 1a4i n ARG 264 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1a4i s ALA 265 N -2.42 1.97 -0.04 7.54 0.00 -0.07 -0.85 121.76 127.90 1a4i s ALA 265 Ca -0.29 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 1a4i s ALA 265 Cb 0.08 -3.25 -0.26 0.00 0.00 0.00 0.00 23.12 19.69 1a4i s ALA 265 CO 0.47 -2.01 0.68 0.66 0.00 0.00 0.00 175.76 175.56 1a4i h SER 266 N -1.30 0.32 -4.01 0.00 4.64 -0.86 -3.04 113.55 109.30 1a4i h SER 266 Ca -0.46 -0.55 -0.21 0.00 -0.47 0.00 0.00 61.79 60.09 1a4i h SER 266 Cb 1.25 -0.11 -0.26 0.00 -0.31 0.00 0.00 62.40 62.97 1a4i h SER 266 CO 0.52 1.48 -0.71 -0.36 -0.87 0.00 0.00 176.83 176.89 1a4i s PHE 267 N -2.60 0.05 -0.07 4.77 0.40 -1.16 -1.43 117.98 117.94 1a4i s PHE 267 Ca -0.12 -0.10 -0.13 0.00 -0.60 0.00 0.00 56.93 55.98 1a4i s PHE 267 Cb 0.07 -0.04 0.03 0.00 0.51 0.00 0.00 43.02 43.59 1a4i s PHE 267 CO 0.82 -0.05 0.32 -1.50 0.70 0.00 0.00 175.22 175.52 1a4i s ILE 268 N -0.32 0.03 -0.18 0.64 2.07 -0.35 -0.99 121.20 122.11 1a4i s ILE 268 Ca -0.04 -0.26 -0.19 0.00 -1.41 0.00 0.00 60.65 58.76 1a4i s ILE 268 Cb -0.02 -0.55 -0.03 0.00 0.13 0.00 0.00 42.46 41.98 1a4i s ILE 268 CO -0.00 -0.14 0.53 0.42 -1.91 0.00 0.00 174.94 173.84 1a4i s THR 269 N -0.63 5.11 0.75 4.00 -4.23 -0.73 -0.71 115.64 119.21 1a4i s THR 269 Ca -0.07 1.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.32 1a4i s THR 269 Cb -0.04 -3.85 0.04 0.00 1.34 0.00 0.00 72.50 69.99 1a4i s THR 269 CO 0.02 0.21 1.08 -2.16 -0.54 0.00 0.00 174.62 173.23 1a4i s PRO 270 N 1.39 2.49 -0.09 3.99 0.04 -1.26 -4.56 135.00 137.00 1a4i s PRO 270 Ca 0.26 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1a4i s PRO 270 Cb -0.15 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1a4i s PRO 270 CO 0.10 -1.36 -0.08 0.08 0.04 0.00 0.00 177.00 175.77 1a4i s VAL 271 N -3.12 0.98 0.97 -0.36 1.01 -1.26 -1.95 120.40 116.67 1a4i s VAL 271 Ca 0.59 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 62.12 1a4i s VAL 271 Cb -0.14 -0.97 0.18 0.00 0.00 0.00 0.00 36.38 35.45 1a4i s VAL 271 CO 0.54 0.34 1.16 -2.16 0.00 0.00 0.00 175.10 174.99 1a4i s PRO 272 N 1.32 0.62 0.00 2.72 0.04 -1.26 -4.65 135.00 133.79 1a4i s PRO 272 Ca -0.03 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1a4i s PRO 272 Cb -0.14 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1a4i s PRO 272 CO -0.04 -2.51 0.00 0.41 0.04 0.00 0.00 177.00 174.90 1a4i n GLY 273 N -2.23 0.86 0.00 0.56 0.00 -1.26 -5.01 105.19 98.11 1a4i n GLY 273 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.27 0.42 0.29 -0.02 0.00 -0.82 -0.80 105.19 101.98 1a4i n GLY 274 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 1.27 -0.45 1.61 2.07 -1.79 -3.34 116.25 115.62 1a4i h VAL 275 Ca 0.00 -1.31 0.09 0.00 0.82 0.00 0.00 66.70 66.30 1a4i h VAL 275 Cb 0.00 1.05 -0.09 0.00 -1.52 0.00 0.00 31.29 30.73 1a4i h VAL 275 CO 0.00 0.46 -0.18 1.23 0.02 0.00 0.00 177.57 179.10 1a4i h GLY 276 N 0.92 0.19 2.00 2.17 0.00 -1.90 -1.10 103.07 105.35 1a4i h GLY 276 Ca 0.12 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1a4i h GLY 276 CO 0.06 -0.20 0.00 -1.05 0.00 0.00 0.00 176.54 175.35 1a4i n PRO 277 N -5.38 0.17 0.19 4.80 -0.02 -1.26 -2.35 135.00 131.16 1a4i n PRO 277 Ca 0.03 0.44 0.08 0.00 -2.02 0.00 0.00 63.50 62.04 1a4i n PRO 277 Cb 0.28 -1.86 0.13 0.00 -0.02 0.00 0.00 33.50 32.03 1a4i n PRO 277 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1a4i h MET 278 N 0.00 0.00 -0.38 -0.52 2.86 -1.35 -3.40 114.93 112.14 1a4i h MET 278 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1a4i h MET 278 Cb 0.30 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1a4i h MET 278 CO 0.00 0.22 0.16 1.79 1.06 0.00 0.00 176.91 180.14 1a4i h THR 279 N 0.00 1.19 -0.48 2.22 1.35 -1.52 -1.38 112.91 114.29 1a4i h THR 279 Ca -0.00 -0.57 -0.10 0.00 -0.55 0.00 0.00 66.41 65.19 1a4i h THR 279 Cb 1.15 0.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.41 1a4i h THR 279 CO 0.03 0.21 -0.09 0.58 -0.25 0.00 0.00 175.52 176.00 1a4i h VAL 280 N 0.47 1.26 -0.40 6.82 2.07 -1.80 -1.89 116.25 122.78 1a4i h VAL 280 Ca 0.13 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1a4i h VAL 280 Cb 0.17 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1a4i h VAL 280 CO -0.01 0.41 0.15 0.00 0.02 0.00 0.00 177.57 178.13 1a4i h ALA 281 N 1.11 1.51 -0.48 1.67 0.00 -1.65 -1.06 119.26 120.37 1a4i h ALA 281 Ca 0.13 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1a4i h ALA 281 Cb 0.59 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1a4i h ALA 281 CO 0.04 0.37 -0.17 0.52 0.00 0.00 0.00 179.25 180.01 1a4i h MET 282 N 0.56 0.96 -0.53 0.00 2.86 -0.83 0.12 114.93 118.06 1a4i h MET 282 Ca 0.14 -0.39 -0.06 0.00 -2.06 0.00 0.00 59.70 57.32 1a4i h MET 282 Cb 0.14 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1a4i h MET 282 CO -0.01 1.06 0.08 1.25 1.06 0.00 0.00 176.91 180.34 1a4i h LEU 283 N 0.80 0.79 -0.68 1.22 5.85 -0.78 -0.39 115.31 122.12 1a4i h LEU 283 Ca 0.11 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.53 1a4i h LEU 283 Cb 0.74 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1a4i h LEU 283 CO 0.06 0.81 -0.42 0.24 -0.34 0.00 0.00 178.44 178.79 1a4i h MET 284 N 0.80 0.53 -0.71 1.25 2.86 -0.72 -1.29 114.93 117.65 1a4i h MET 284 Ca 0.17 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1a4i h MET 284 Cb 0.37 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 1a4i h MET 284 CO 0.01 0.86 0.36 0.37 1.06 0.00 0.00 176.91 179.56 1a4i h GLN 285 N 0.43 1.01 -0.12 1.72 4.15 -0.28 -1.05 115.11 120.96 1a4i h GLN 285 Ca 0.03 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.24 1a4i h GLN 285 Cb 0.92 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 1a4i h GLN 285 CO 0.08 0.78 -0.25 0.77 -1.93 0.00 0.00 178.83 178.28 1a4i h SER 286 N 0.98 0.22 -0.19 -0.69 0.02 -0.84 -1.33 113.55 111.72 1a4i h SER 286 Ca 0.25 -0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.99 1a4i h SER 286 Cb 0.09 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1a4i h SER 286 CO -0.03 0.47 -0.40 0.74 -1.14 0.00 0.00 176.83 176.47 1a4i h THR 287 N 0.20 1.29 -0.23 -2.27 2.02 -0.73 -0.92 112.91 112.28 1a4i h THR 287 Ca 0.03 -1.58 -0.13 0.00 0.77 0.00 0.00 66.41 65.51 1a4i h THR 287 Cb 0.56 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1a4i h THR 287 CO 0.04 0.51 -0.40 0.58 0.37 0.00 0.00 175.52 176.62 1a4i h VAL 288 N 0.59 1.30 -0.85 3.16 2.07 -0.90 -0.08 116.25 121.54 1a4i h VAL 288 Ca 0.05 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 1a4i h VAL 288 Cb 0.95 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 1a4i h VAL 288 CO 0.09 0.49 0.53 -0.33 0.02 0.00 0.00 177.57 178.36 1a4i h GLU 289 N 0.44 1.15 -0.32 1.57 5.08 -1.07 0.13 114.58 121.57 1a4i h GLU 289 Ca 0.04 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 1a4i h GLU 289 Cb 0.89 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1a4i h GLU 289 CO 0.08 0.80 -0.46 1.03 -1.00 0.00 0.00 179.01 179.45 1a4i h SER 290 N 1.17 0.91 -0.86 1.42 0.87 -0.65 -1.84 113.55 114.57 1a4i h SER 290 Ca 0.31 -0.45 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 1a4i h SER 290 Cb -0.07 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.60 1a4i h SER 290 CO -0.06 1.22 0.42 0.00 -0.53 0.00 0.00 176.83 177.89 1a4i h ALA 291 N 0.81 1.12 -0.48 6.23 0.00 -0.33 -0.96 119.26 125.64 1a4i h ALA 291 Ca 0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1a4i h ALA 291 Cb 1.04 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1a4i h ALA 291 CO 0.10 0.67 0.00 0.87 0.00 0.00 0.00 179.25 180.90 1a4i h LYS 292 N 1.23 0.79 -0.28 0.00 1.57 -0.51 -0.91 116.57 118.47 1a4i h LYS 292 Ca 0.30 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1a4i h LYS 292 Cb 0.11 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1a4i h LYS 292 CO -0.04 0.80 -0.23 0.00 -0.57 0.00 0.00 179.45 179.41 1a4i h ARG 293 N 0.74 0.52 -0.38 3.15 3.08 -0.78 -2.04 114.38 118.67 1a4i h ARG 293 Ca 0.14 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 1a4i h ARG 293 Cb 0.45 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1a4i h ARG 293 CO 0.02 0.72 -0.13 0.35 -1.07 0.00 0.00 179.97 179.85 1a4i h PHE 294 N 0.46 0.87 -0.74 3.04 3.57 -0.78 -3.14 116.94 120.22 1a4i h PHE 294 Ca 0.07 -0.20 0.04 0.00 3.53 0.00 0.00 57.97 61.41 1a4i h PHE 294 Cb 0.65 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1a4i h PHE 294 CO 0.02 0.92 0.46 1.25 -2.23 0.00 0.00 178.31 178.74 1a4i h LEU 295 N 0.57 0.75 0.00 0.59 5.85 -0.80 -3.52 115.31 118.75 1a4i h LEU 295 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1a4i h LEU 295 Cb 0.67 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1a4i h LEU 295 CO 0.05 0.51 0.00 1.21 -0.34 0.00 0.00 178.44 179.87