#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8i s GLN 3 N 0.00 0.57 0.17 0.00 2.00 -0.41 -4.93 119.66 117.06 1q8i s GLN 3 Ca 0.00 0.02 -0.21 0.00 -2.00 0.00 0.00 55.36 53.17 1q8i s GLN 3 Cb 0.00 -0.74 -0.08 0.00 0.80 0.00 0.00 33.01 32.99 1q8i s GLN 3 CO 0.00 -0.16 0.69 0.00 -0.50 0.00 0.00 175.29 175.32 1q8i s ALA 4 N 1.24 3.48 0.25 1.58 0.00 -1.26 0.31 121.76 127.36 1q8i s ALA 4 Ca -0.06 0.17 -0.21 0.00 0.00 0.00 0.00 51.96 51.86 1q8i s ALA 4 Cb -0.13 -2.80 0.05 0.00 0.00 0.00 0.00 23.12 20.23 1q8i s ALA 4 CO -0.02 0.34 0.84 0.20 0.00 0.00 0.00 175.76 177.13 1q8i s GLY 5 N -1.38 -0.01 -0.10 0.00 0.00 0.06 -4.48 107.32 101.40 1q8i s GLY 5 Ca 0.37 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 1q8i s GLY 5 CO 0.22 0.17 -0.04 -0.12 0.00 0.00 0.00 173.10 173.33 1q8i s PHE 6 N -3.20 1.15 0.14 1.90 5.36 -0.03 -0.01 117.98 123.29 1q8i s PHE 6 Ca 0.14 -0.55 -0.31 0.00 -0.96 0.00 0.00 56.93 55.25 1q8i s PHE 6 Cb -0.04 -1.06 -0.11 0.00 -0.34 0.00 0.00 43.02 41.48 1q8i s PHE 6 CO 0.06 -0.45 1.80 0.42 -1.46 0.00 0.00 175.22 175.59 1q8i s ILE 7 N 1.82 2.47 -0.22 3.12 1.01 -0.14 -0.92 121.20 128.34 1q8i s ILE 7 Ca 0.04 0.07 -0.16 0.00 0.00 0.00 0.00 60.65 60.60 1q8i s ILE 7 Cb -0.13 -3.04 -0.11 0.00 0.01 0.00 0.00 42.46 39.19 1q8i s ILE 7 CO -0.07 0.00 -0.19 0.18 0.00 0.00 0.00 174.94 174.86 1q8i n LEU 8 N 5.38 1.91 -4.17 2.97 4.77 0.10 -4.90 117.00 123.06 1q8i n LEU 8 Ca 0.17 0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 56.44 1q8i n LEU 8 Cb 0.38 -0.85 -0.10 0.00 -2.33 0.00 0.00 43.42 40.52 1q8i n LEU 8 CO 0.65 0.14 -0.39 0.42 -1.33 0.00 0.00 177.39 176.88 1q8i s THR 9 N -2.52 0.78 0.07 -5.08 -4.23 -1.15 -4.73 115.64 98.77 1q8i s THR 9 Ca -0.30 -1.83 0.07 0.00 -1.18 0.00 0.00 61.69 58.44 1q8i s THR 9 Cb 0.08 -1.56 -0.03 0.00 1.34 0.00 0.00 72.50 72.33 1q8i s THR 9 CO 0.46 -0.77 -0.18 -0.13 -0.54 0.00 0.00 174.62 173.46 1q8i s ARG 10 N -3.46 1.03 0.03 3.99 0.52 -1.26 -1.74 118.95 118.06 1q8i s ARG 10 Ca 0.10 -0.99 -0.14 0.00 -0.52 0.00 0.00 55.73 54.17 1q8i s ARG 10 Cb 0.02 -1.15 0.02 0.00 0.52 0.00 0.00 34.95 34.36 1q8i s ARG 10 CO -0.03 0.27 0.31 -1.01 0.02 0.00 0.00 175.30 174.86 1q8i s HIS 11 N -1.09 -0.13 -0.01 -0.53 3.76 0.11 -4.99 115.29 112.42 1q8i s HIS 11 Ca 0.03 0.04 -0.16 0.00 -0.15 0.00 0.00 55.06 54.82 1q8i s HIS 11 Cb -0.09 0.10 0.03 0.00 1.11 0.00 0.00 32.58 33.72 1q8i s HIS 11 CO 0.03 -0.48 0.34 1.67 -0.85 0.00 0.00 174.74 175.45 1q8i s TRP 12 N -2.30 -0.22 -0.18 1.40 1.48 -1.26 -1.00 118.94 116.86 1q8i s TRP 12 Ca -0.07 0.31 -0.14 0.00 -1.06 0.00 0.00 56.10 55.14 1q8i s TRP 12 Cb -0.02 0.13 0.05 0.00 -1.16 0.00 0.00 33.47 32.48 1q8i s TRP 12 CO -0.02 -0.43 0.47 -0.98 -4.06 0.00 0.00 176.95 171.94 1q8i s ARG 13 N -1.49 0.51 0.29 3.25 1.70 -0.65 -5.00 118.95 117.57 1q8i s ARG 13 Ca -0.12 0.76 -0.28 0.00 -0.47 0.00 0.00 55.73 55.61 1q8i s ARG 13 Cb -0.04 0.15 -0.09 0.00 -0.57 0.00 0.00 34.95 34.40 1q8i s ARG 13 CO 0.04 -0.11 1.04 -0.51 -1.08 0.00 0.00 175.30 174.68 1q8i s ASP 14 N 0.79 7.29 0.12 -2.89 1.01 -1.26 -0.89 116.67 120.84 1q8i s ASP 14 Ca -0.04 2.11 -0.01 0.00 0.71 0.00 0.00 52.55 55.32 1q8i s ASP 14 Cb -0.05 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 1q8i s ASP 14 CO -0.06 -0.11 0.04 0.42 0.21 0.00 0.00 175.17 175.66 1q8i s THR 15 N -1.29 0.18 0.55 -1.27 -4.23 -1.06 -4.91 115.64 103.61 1q8i s THR 15 Ca 0.46 -1.90 0.31 0.00 -1.18 0.00 0.00 61.69 59.38 1q8i s THR 15 Cb -0.28 -1.98 0.46 0.00 1.34 0.00 0.00 72.50 72.04 1q8i s THR 15 CO 0.35 -0.54 1.88 -0.65 -0.54 0.00 0.00 174.62 175.12 1q8i h PRO 16 N 2.89 0.00 -0.27 3.99 0.11 -1.98 0.29 132.00 137.04 1q8i h PRO 16 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1q8i h PRO 16 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1q8i h PRO 16 CO 0.60 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 179.33 1q8i n GLN 17 N -4.13 1.89 0.00 1.05 7.27 -1.26 -5.03 117.38 117.17 1q8i n GLN 17 Ca 0.17 -1.35 0.00 0.00 0.07 0.00 0.00 57.00 55.88 1q8i n GLN 17 Cb 0.92 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 32.19 1q8i n GLN 17 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1q8i n GLY 18 N 1.18 1.71 3.66 1.69 0.00 0.09 -4.82 105.19 108.70 1q8i n GLY 18 Ca 0.16 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 1q8i n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q8i s THR 19 N -1.75 4.45 -0.20 2.61 2.01 -1.20 -2.57 115.64 118.99 1q8i s THR 19 Ca 0.00 1.74 -0.26 0.00 0.31 0.00 0.00 61.69 63.48 1q8i s THR 19 Cb 0.00 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 1q8i s THR 19 CO 0.00 -0.21 0.90 -1.61 -0.69 0.00 0.00 174.62 173.00 1q8i s GLU 20 N 3.45 4.26 -0.14 4.92 2.02 -0.07 -1.58 118.70 131.56 1q8i s GLU 20 Ca 0.50 1.11 -0.02 0.00 0.02 0.00 0.00 54.97 56.57 1q8i s GLU 20 Cb -0.18 -3.61 -0.02 0.00 0.10 0.00 0.00 34.13 30.42 1q8i s GLU 20 CO 0.12 -0.46 -0.07 0.08 0.02 0.00 0.00 175.26 174.95 1q8i s VAL 21 N 2.61 3.66 0.05 2.63 1.01 -1.26 -1.64 120.40 127.46 1q8i s VAL 21 Ca 0.39 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 1q8i s VAL 21 Cb -0.16 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1q8i s VAL 21 CO 0.10 0.52 0.13 -0.94 0.00 0.00 0.00 175.10 174.90 1q8i s SER 22 N 0.18 0.15 0.03 3.32 1.04 -0.17 -1.42 113.70 116.84 1q8i s SER 22 Ca -0.04 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 55.87 1q8i s SER 22 Cb -0.14 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 1q8i s SER 22 CO 0.03 -0.57 -0.07 -0.36 0.98 0.00 0.00 173.24 173.25 1q8i s PHE 23 N -2.93 0.62 -0.22 5.02 0.40 0.21 -0.71 117.98 120.37 1q8i s PHE 23 Ca -0.02 -0.44 -0.05 0.00 -0.60 0.00 0.00 56.93 55.82 1q8i s PHE 23 Cb 0.01 -0.38 -0.02 0.00 0.51 0.00 0.00 43.02 43.14 1q8i s PHE 23 CO -0.06 -0.08 -0.01 -1.58 0.70 0.00 0.00 175.22 174.19 1q8i s TRP 24 N -1.20 3.00 0.08 0.36 0.52 -0.71 -0.55 118.94 120.45 1q8i s TRP 24 Ca -0.08 -0.67 0.05 0.00 0.02 0.00 0.00 56.10 55.42 1q8i s TRP 24 Cb -0.09 -2.12 -0.04 0.00 -1.15 0.00 0.00 33.47 30.08 1q8i s TRP 24 CO 0.00 -0.40 -0.04 -0.51 0.02 0.00 0.00 176.95 176.03 1q8i s LEU 25 N 1.31 3.31 -0.24 2.99 1.43 0.57 0.01 118.68 128.06 1q8i s LEU 25 Ca 0.04 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 1q8i s LEU 25 Cb -0.15 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 1q8i s LEU 25 CO 0.00 0.19 0.24 0.00 0.23 0.00 0.00 176.35 177.02 1q8i s ALA 26 N -1.24 3.58 0.43 4.21 0.00 -0.09 -0.70 121.76 127.95 1q8i s ALA 26 Ca 0.23 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.40 1q8i s ALA 26 Cb -0.11 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.48 1q8i s ALA 26 CO 0.16 -0.34 0.02 0.95 0.00 0.00 0.00 175.76 176.55 1q8i s THR 27 N 1.36 1.55 0.31 0.00 -4.23 -0.49 -0.85 115.64 113.29 1q8i s THR 27 Ca 0.11 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 58.99 1q8i s THR 27 Cb -0.14 -2.67 0.39 0.00 1.34 0.00 0.00 72.50 71.41 1q8i s THR 27 CO 0.07 0.00 2.12 0.44 -0.54 0.00 0.00 174.62 176.72 1q8i h ASP 28 N 1.68 0.00 -0.43 3.99 5.19 -1.94 -2.13 116.42 122.79 1q8i h ASP 28 Ca -0.43 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.82 1q8i h ASP 28 Cb 1.27 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.68 1q8i h ASP 28 CO 0.76 0.00 0.06 0.59 -3.12 0.00 0.00 179.24 177.52 1q8i n ASN 29 N -2.91 3.27 0.00 6.45 4.13 -1.26 -5.02 115.26 119.91 1q8i n ASN 29 Ca -0.01 -3.47 0.00 0.00 1.68 0.00 0.00 54.58 52.77 1q8i n ASN 29 Cb 0.14 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 37.74 1q8i n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1q8i n GLY 30 N -0.85 -1.82 3.79 7.41 0.00 -0.80 -4.98 105.19 107.94 1q8i n GLY 30 Ca 0.33 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 1q8i n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q8i s PRO 31 N -0.04 3.85 -0.08 1.61 0.04 -1.26 -1.40 135.00 137.73 1q8i s PRO 31 Ca 0.00 1.40 -0.03 0.00 0.04 0.00 0.00 61.00 62.41 1q8i s PRO 31 Cb 0.00 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.41 1q8i s PRO 31 CO 0.00 -0.39 0.15 -1.17 0.04 0.00 0.00 177.00 175.63 1q8i s LEU 32 N -3.34 0.15 0.08 -3.56 2.96 0.13 -4.91 118.68 110.19 1q8i s LEU 32 Ca 0.66 0.32 -0.21 0.00 -0.22 0.00 0.00 54.13 54.67 1q8i s LEU 32 Cb -0.18 0.28 -0.07 0.00 0.50 0.00 0.00 46.19 46.73 1q8i s LEU 32 CO 0.21 -0.22 0.64 -1.58 -1.32 0.00 0.00 176.35 174.08 1q8i s GLN 33 N 1.98 4.33 -0.03 1.98 0.74 -1.26 -0.32 119.66 127.08 1q8i s GLN 33 Ca -0.00 0.87 0.01 0.00 0.05 0.00 0.00 55.36 56.28 1q8i s GLN 33 Cb -0.12 -3.27 0.02 0.00 1.10 0.00 0.00 33.01 30.74 1q8i s GLN 33 CO -0.06 0.56 -0.04 0.08 -0.55 0.00 0.00 175.29 175.28 1q8i s VAL 34 N -0.91 0.47 0.06 1.34 1.01 0.29 -1.31 120.40 121.35 1q8i s VAL 34 Ca 0.32 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.25 1q8i s VAL 34 Cb -0.20 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1q8i s VAL 34 CO 0.21 0.19 -0.20 0.42 0.00 0.00 0.00 175.10 175.73 1q8i s THR 35 N 0.70 1.59 0.37 3.92 -4.23 0.27 -0.62 115.64 117.64 1q8i s THR 35 Ca -0.09 -1.25 0.03 0.00 -1.18 0.00 0.00 61.69 59.20 1q8i s THR 35 Cb -0.12 -1.40 -0.01 0.00 1.34 0.00 0.00 72.50 72.30 1q8i s THR 35 CO -0.00 0.10 0.54 -0.76 -0.54 0.00 0.00 174.62 173.97 1q8i s LEU 36 N -1.36 3.90 0.82 4.79 1.43 -0.51 -1.84 118.68 125.90 1q8i s LEU 36 Ca 0.06 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 1q8i s LEU 36 Cb -0.09 -3.00 0.09 0.00 0.03 0.00 0.00 46.19 43.22 1q8i s LEU 36 CO 0.02 -0.47 1.15 0.00 0.23 0.00 0.00 176.35 177.28 1q8i s ALA 37 N -2.32 1.88 0.22 4.21 0.00 -1.26 -4.52 121.76 119.97 1q8i s ALA 37 Ca 0.44 0.61 -0.31 0.00 0.00 0.00 0.00 51.96 52.70 1q8i s ALA 37 Cb -0.10 -3.41 -0.15 0.00 0.00 0.00 0.00 23.12 19.47 1q8i s ALA 37 CO 0.34 -2.22 1.21 -2.30 0.00 0.00 0.00 175.76 172.80 1q8i n PRO 38 N -3.54 1.50 -4.80 0.00 -0.02 -1.26 -4.72 135.00 122.16 1q8i n PRO 38 Ca 0.12 0.53 -0.33 0.00 -2.02 0.00 0.00 63.50 61.80 1q8i n PRO 38 Cb 0.52 -2.06 -0.14 0.00 -0.02 0.00 0.00 33.50 31.80 1q8i n PRO 38 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1q8i s GLN 39 N -0.66 3.22 0.43 -0.52 -1.52 -0.61 -4.88 119.66 115.12 1q8i s GLN 39 Ca 0.68 -0.69 -0.23 0.00 -1.95 0.00 0.00 55.36 53.18 1q8i s GLN 39 Cb -0.75 -2.58 -0.08 0.00 -0.22 0.00 0.00 33.01 29.37 1q8i s GLN 39 CO 0.53 0.29 1.07 -1.21 -0.25 0.00 0.00 175.29 175.73 1q8i s GLU 40 N 0.14 4.00 0.04 2.91 2.02 -1.26 -3.85 118.70 122.71 1q8i s GLU 40 Ca -0.07 1.54 -0.14 0.00 0.02 0.00 0.00 54.97 56.33 1q8i s GLU 40 Cb -0.15 -2.43 -0.06 0.00 0.10 0.00 0.00 34.13 31.60 1q8i s GLU 40 CO 0.05 -0.29 0.44 -1.12 0.02 0.00 0.00 175.26 174.35 1q8i s SER 41 N -1.60 6.79 -0.00 -0.19 0.01 -0.01 -4.90 113.70 113.80 1q8i s SER 41 Ca 0.61 0.96 0.04 0.00 1.31 0.00 0.00 55.95 58.86 1q8i s SER 41 Cb -0.22 -2.25 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 1q8i s SER 41 CO 0.28 0.25 -0.12 0.54 0.41 0.00 0.00 173.24 174.60 1q8i s VAL 42 N -1.21 0.91 0.36 3.43 0.11 -1.26 -1.51 120.40 121.23 1q8i s VAL 42 Ca 0.28 -0.55 0.04 0.00 -2.93 0.00 0.00 61.98 58.82 1q8i s VAL 42 Cb -0.16 -0.77 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1q8i s VAL 42 CO 0.16 0.22 0.14 0.00 -3.33 0.00 0.00 175.10 172.29 1q8i s ALA 43 N -0.35 2.48 0.04 1.54 0.00 -0.50 -4.75 121.76 120.23 1q8i s ALA 43 Ca 0.04 -1.55 0.05 0.00 0.00 0.00 0.00 51.96 50.50 1q8i s ALA 43 Cb -0.05 0.93 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 1q8i s ALA 43 CO -0.00 -0.41 -0.14 -0.06 0.00 0.00 0.00 175.76 175.14 1q8i s PHE 44 N -3.36 1.24 -0.01 0.00 0.40 -0.47 -0.41 117.98 115.38 1q8i s PHE 44 Ca 0.30 -0.37 0.03 0.00 -0.60 0.00 0.00 56.93 56.29 1q8i s PHE 44 Cb 0.04 -0.73 -0.01 0.00 0.51 0.00 0.00 43.02 42.83 1q8i s PHE 44 CO 0.17 0.04 -0.09 0.42 0.70 0.00 0.00 175.22 176.46 1q8i s ILE 45 N -0.92 0.73 0.27 0.64 1.01 -0.03 -0.17 121.20 122.72 1q8i s ILE 45 Ca 0.01 -0.39 -0.31 0.00 0.00 0.00 0.00 60.65 59.97 1q8i s ILE 45 Cb -0.08 -0.61 -0.13 0.00 0.01 0.00 0.00 42.46 41.65 1q8i s ILE 45 CO 0.01 0.21 1.45 -2.65 0.00 0.00 0.00 174.94 173.96 1q8i n PRO 46 N 2.87 2.23 -0.35 2.79 -0.02 -1.26 0.18 135.00 141.45 1q8i n PRO 46 Ca -0.14 0.79 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 1q8i n PRO 46 Cb 0.57 -2.48 0.33 0.00 -0.02 0.00 0.00 33.50 31.90 1q8i n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q8i h ALA 47 N 4.18 1.70 0.00 3.55 0.00 -1.16 -1.02 119.26 126.51 1q8i h ALA 47 Ca -0.46 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1q8i h ALA 47 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1q8i h ALA 47 CO 0.75 -0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.55 1q8i n ASP 48 N -4.72 0.00 -0.81 0.00 5.68 -1.26 -2.32 116.55 113.12 1q8i n ASP 48 Ca 0.23 0.12 0.10 0.00 -0.50 0.00 0.00 54.79 54.73 1q8i n ASP 48 Cb 0.56 -0.34 0.10 0.00 -1.14 0.00 0.00 41.12 40.30 1q8i n ASP 48 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1q8i n GLN 49 N -1.34 1.79 -0.25 0.11 6.02 -0.39 -4.58 117.38 118.74 1q8i n GLN 49 Ca 0.08 -1.74 0.00 0.00 -0.01 0.00 0.00 57.00 55.34 1q8i n GLN 49 Cb 0.18 -1.38 0.12 0.00 1.02 0.00 0.00 30.24 30.18 1q8i n GLN 49 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1q8i h VAL 50 N 3.72 0.93 -0.93 5.09 2.07 -1.42 -0.54 116.25 125.17 1q8i h VAL 50 Ca 0.00 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1q8i h VAL 50 Cb 0.81 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1q8i h VAL 50 CO 0.00 0.13 0.60 -0.65 0.02 0.00 0.00 177.57 177.67 1q8i h PRO 51 N 0.69 1.23 -0.50 1.57 0.11 -1.81 0.32 132.00 133.61 1q8i h PRO 51 Ca 0.33 -0.08 -0.11 0.00 0.11 0.00 0.00 66.00 66.25 1q8i h PRO 51 Cb 0.27 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1q8i h PRO 51 CO -0.22 0.83 -0.14 -0.09 -0.21 0.00 0.00 178.00 178.17 1q8i h ARG 52 N 1.27 0.96 -0.78 1.05 2.43 -1.75 -1.65 114.38 115.90 1q8i h ARG 52 Ca 0.34 -0.36 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1q8i h ARG 52 Cb -0.12 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 1q8i h ARG 52 CO -0.07 1.03 0.30 0.00 -1.51 0.00 0.00 179.97 179.72 1q8i h ALA 53 N 0.98 1.06 -0.66 2.80 0.00 0.24 -1.37 119.26 122.31 1q8i h ALA 53 Ca 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1q8i h ALA 53 Cb 0.69 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1q8i h ALA 53 CO 0.05 0.66 0.32 1.96 0.00 0.00 0.00 179.25 182.24 1q8i h GLN 54 N 1.14 0.94 -0.40 0.00 1.08 -0.15 -2.16 115.11 115.57 1q8i h GLN 54 Ca 0.26 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.30 1q8i h GLN 54 Cb 0.23 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1q8i h GLN 54 CO -0.02 0.73 0.10 1.25 -0.95 0.00 0.00 178.83 179.93 1q8i h HIS 55 N 0.94 0.66 -0.67 2.96 2.76 -0.80 -1.16 115.15 119.84 1q8i h HIS 55 Ca 0.23 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1q8i h HIS 55 Cb 0.10 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 28.84 1q8i h HIS 55 CO 0.01 0.64 0.31 0.82 -1.30 0.00 0.00 177.93 178.41 1q8i h ILE 56 N 0.50 1.22 -0.59 6.26 2.04 -0.83 -2.53 117.51 123.57 1q8i h ILE 56 Ca 0.12 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1q8i h ILE 56 Cb 0.31 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1q8i h ILE 56 CO 0.00 0.26 0.00 0.18 0.00 0.00 0.00 178.15 178.60 1q8i n LEU 57 N -4.33 4.81 -0.01 1.44 4.77 -0.85 -4.62 117.00 118.22 1q8i n LEU 57 Ca 0.06 -2.58 0.14 0.00 -0.03 0.00 0.00 56.01 53.60 1q8i n LEU 57 Cb 0.14 -0.58 0.57 0.00 -2.33 0.00 0.00 43.42 41.22 1q8i n LEU 57 CO 0.39 0.76 1.17 -0.61 -1.33 0.00 0.00 177.39 177.77 1q8i h GLN 58 N 3.77 0.23 -0.48 3.23 4.15 -0.75 0.12 115.11 125.37 1q8i h GLN 58 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1q8i h GLN 58 Cb 1.53 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.17 1q8i h GLN 58 CO 0.27 0.15 0.00 0.41 -1.93 0.00 0.00 178.83 177.74 1q8i n GLY 59 N -1.56 1.83 3.89 2.39 0.00 -1.26 -4.95 105.19 105.54 1q8i n GLY 59 Ca 0.08 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 1q8i n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q8i s GLU 60 N -1.37 3.16 0.48 1.61 0.41 0.03 -5.13 118.70 117.89 1q8i s GLU 60 Ca 0.41 -0.91 0.03 0.00 -0.41 0.00 0.00 54.97 54.09 1q8i s GLU 60 Cb 0.23 -2.72 -0.03 0.00 -1.78 0.00 0.00 34.13 29.83 1q8i s GLU 60 CO 0.31 0.42 0.01 -0.65 -0.49 0.00 0.00 175.26 174.86 1q8i s GLN 61 N -3.86 2.12 -0.78 1.61 -0.21 -1.26 -4.89 119.66 112.39 1q8i s GLN 61 Ca 0.33 -2.31 0.00 0.00 0.02 0.00 0.00 55.36 53.40 1q8i s GLN 61 Cb -0.08 -1.53 0.00 0.00 1.00 0.00 0.00 33.01 32.40 1q8i s GLN 61 CO 0.27 -0.28 0.00 0.41 -2.12 0.00 0.00 175.29 173.57 1q8i n GLY 62 N -1.17 0.03 3.16 3.09 0.00 -1.26 -5.03 105.19 104.02 1q8i n GLY 62 Ca -0.15 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 1q8i n GLY 62 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1q8i s PHE 63 N -2.45 0.25 0.06 1.61 -0.12 -1.26 -3.08 117.98 112.99 1q8i s PHE 63 Ca 0.00 -0.69 0.01 0.00 -0.05 0.00 0.00 56.93 56.20 1q8i s PHE 63 Cb 0.00 -0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.20 1q8i s PHE 63 CO 0.00 -0.48 -0.06 -0.98 -0.05 0.00 0.00 175.22 173.65 1q8i s ARG 64 N -3.69 0.59 -0.23 1.99 1.70 0.14 -4.98 118.95 114.48 1q8i s ARG 64 Ca 0.04 -0.97 0.02 0.00 -0.47 0.00 0.00 55.73 54.35 1q8i s ARG 64 Cb 0.05 -0.13 0.05 0.00 -0.57 0.00 0.00 34.95 34.34 1q8i s ARG 64 CO -0.10 -0.01 -0.11 -0.51 -1.08 0.00 0.00 175.30 173.49 1q8i s LEU 65 N -2.17 2.78 -0.03 -1.89 1.43 -1.26 -1.10 118.68 116.44 1q8i s LEU 65 Ca -0.02 -1.10 0.05 0.00 -1.03 0.00 0.00 54.13 52.02 1q8i s LEU 65 Cb -0.03 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 1q8i s LEU 65 CO -0.03 -0.15 -0.17 -0.89 0.23 0.00 0.00 176.35 175.34 1q8i s THR 66 N 1.26 1.39 0.39 5.49 2.01 -0.27 -4.95 115.64 120.96 1q8i s THR 66 Ca -0.04 -0.72 -0.26 0.00 0.31 0.00 0.00 61.69 60.99 1q8i s THR 66 Cb -0.18 -1.18 -0.09 0.00 0.01 0.00 0.00 72.50 71.07 1q8i s THR 66 CO -0.07 0.40 1.17 -2.16 -0.69 0.00 0.00 174.62 173.26 1q8i s PRO 67 N -0.15 4.10 0.09 4.92 0.04 -1.26 -0.60 135.00 142.14 1q8i s PRO 67 Ca 0.01 1.85 0.04 0.00 0.04 0.00 0.00 61.00 62.93 1q8i s PRO 67 Cb -0.09 -2.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 1q8i s PRO 67 CO 0.01 -0.28 -0.10 -0.51 0.04 0.00 0.00 177.00 176.15 1q8i s LEU 68 N -2.41 2.39 -1.50 -3.56 1.43 -1.09 -4.83 118.68 109.10 1q8i s LEU 68 Ca 0.56 -0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 52.78 1q8i s LEU 68 Cb -0.31 -0.31 -0.10 0.00 0.03 0.00 0.00 46.19 45.49 1q8i s LEU 68 CO 0.39 -0.25 3.02 0.00 0.23 0.00 0.00 176.35 179.74 1q8i n ALA 69 N 0.65 7.48 -2.78 4.21 0.00 -1.26 -4.56 120.51 124.24 1q8i n ALA 69 Ca -0.17 -3.39 -0.09 0.00 0.00 0.00 0.00 53.44 49.79 1q8i n ALA 69 Cb 0.57 -3.29 -0.10 0.00 0.00 0.00 0.00 19.45 16.63 1q8i n ALA 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q8i s LEU 70 N 0.16 1.95 0.07 0.00 1.43 -1.26 -4.86 118.68 116.17 1q8i s LEU 70 Ca 0.70 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 1q8i s LEU 70 Cb 0.19 0.44 -0.03 0.00 0.03 0.00 0.00 46.19 46.82 1q8i s LEU 70 CO -0.06 -0.44 -0.10 -0.54 0.23 0.00 0.00 176.35 175.45 1q8i s LYS 71 N -2.27 0.72 0.70 1.70 1.02 -0.52 -1.78 119.74 119.32 1q8i s LYS 71 Ca -0.08 -0.99 -0.10 0.00 0.02 0.00 0.00 55.97 54.83 1q8i s LYS 71 Cb -0.03 -0.45 0.16 0.00 -0.52 0.00 0.00 37.83 36.98 1q8i s LYS 71 CO -0.03 0.08 0.96 -0.40 -0.92 0.00 0.00 175.35 175.03 1q8i n ASP 72 N 0.96 0.32 0.00 2.83 5.68 -0.13 -1.47 116.55 124.75 1q8i n ASP 72 Ca -0.19 -1.50 0.06 0.00 -0.50 0.00 0.00 54.79 52.66 1q8i n ASP 72 Cb 0.56 -0.71 0.29 0.00 -1.14 0.00 0.00 41.12 40.12 1q8i n ASP 72 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1q8i n PHE 73 N -3.19 0.00 0.50 2.11 3.01 -1.26 0.06 117.46 118.69 1q8i n PHE 73 Ca 0.13 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.68 1q8i n PHE 73 Cb 0.45 -0.43 0.25 0.00 -0.01 0.00 0.00 39.48 39.73 1q8i n PHE 73 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1q8i n HIS 74 N -1.43 0.59 -1.83 1.38 8.25 -1.26 -4.92 115.22 116.01 1q8i n HIS 74 Ca 0.04 -0.30 -0.19 0.00 -0.26 0.00 0.00 57.72 57.01 1q8i n HIS 74 Cb 0.13 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.18 1q8i n HIS 74 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1q8i n ARG 75 N 0.95 -1.41 -3.59 -0.41 1.74 0.11 -5.00 116.66 109.04 1q8i n ARG 75 Ca 0.17 1.10 -0.38 0.00 -0.77 0.00 0.00 57.85 57.98 1q8i n ARG 75 Cb 0.44 -5.51 -0.06 0.00 -1.02 0.00 0.00 32.46 26.31 1q8i n ARG 75 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1q8i s GLN 76 N -4.07 3.84 0.50 5.56 2.00 -1.25 -4.81 119.66 121.42 1q8i s GLN 76 Ca 0.00 0.26 -0.22 0.00 -2.00 0.00 0.00 55.36 53.39 1q8i s GLN 76 Cb 0.00 -3.23 -0.06 0.00 0.80 0.00 0.00 33.01 30.51 1q8i s GLN 76 CO 0.00 0.66 1.25 -2.14 -0.50 0.00 0.00 175.29 174.56 1q8i s PRO 77 N -0.90 3.47 0.29 1.67 0.02 -1.26 -0.95 135.00 137.33 1q8i s PRO 77 Ca 0.21 1.97 0.11 0.00 0.02 0.00 0.00 61.00 63.30 1q8i s PRO 77 Cb -0.15 -2.32 -0.05 0.00 0.02 0.00 0.00 34.50 32.00 1q8i s PRO 77 CO 0.10 -0.85 -0.10 0.14 -0.33 0.00 0.00 177.00 175.96 1q8i s VAL 78 N -1.45 2.77 0.16 3.83 -7.23 -0.73 -0.62 120.40 117.13 1q8i s VAL 78 Ca 0.68 -2.19 0.06 0.00 -1.81 0.00 0.00 61.98 58.72 1q8i s VAL 78 Cb -0.33 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1q8i s VAL 78 CO 0.40 -0.35 0.07 -0.31 -0.31 0.00 0.00 175.10 174.61 1q8i s TYR 79 N -2.46 3.02 -0.15 2.82 1.51 0.13 -2.69 117.35 119.53 1q8i s TYR 79 Ca 0.31 -0.06 -0.14 0.00 -1.01 0.00 0.00 57.07 56.17 1q8i s TYR 79 Cb -0.04 -1.46 -0.05 0.00 -0.11 0.00 0.00 41.96 40.30 1q8i s TYR 79 CO 0.17 0.52 0.30 0.20 -1.11 0.00 0.00 175.55 175.63 1q8i s GLY 80 N -3.00 2.23 -0.43 0.71 0.00 0.23 -0.85 107.32 106.20 1q8i s GLY 80 Ca 0.29 -0.44 -0.17 0.00 0.00 0.00 0.00 44.72 44.41 1q8i s GLY 80 CO 0.21 0.40 0.41 -2.27 0.00 0.00 0.00 173.10 171.85 1q8i s LEU 81 N 0.33 5.04 -0.12 0.66 2.96 0.46 -1.12 118.68 126.90 1q8i s LEU 81 Ca 0.17 -0.84 -0.02 0.00 -0.22 0.00 0.00 54.13 53.22 1q8i s LEU 81 Cb -0.13 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 1q8i s LEU 81 CO 0.05 -0.58 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.14 1q8i s TYR 82 N 1.99 3.01 0.01 5.38 1.51 -0.26 -1.41 117.35 127.58 1q8i s TYR 82 Ca 0.09 -0.14 0.02 0.00 -1.01 0.00 0.00 57.07 56.04 1q8i s TYR 82 Cb -0.19 -1.86 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 1q8i s TYR 82 CO 0.12 0.14 -0.07 0.00 -1.11 0.00 0.00 175.55 174.62 1q8i n ARG 84 N 2.36 0.02 -4.37 0.00 3.00 -1.18 -0.83 116.66 115.67 1q8i n ARG 84 Ca -0.17 0.01 -0.20 0.00 -0.01 0.00 0.00 57.85 57.48 1q8i n ARG 84 Cb 0.57 -1.50 -0.16 0.00 0.00 0.00 0.00 32.46 31.37 1q8i n ARG 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1q8i s ALA 85 N -2.98 0.85 0.22 7.54 0.00 -1.26 -3.24 121.76 122.90 1q8i s ALA 85 Ca 0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 51.81 1q8i s ALA 85 Cb 0.19 -0.34 0.22 0.00 0.00 0.00 0.00 23.12 23.18 1q8i s ALA 85 CO 0.51 0.12 1.58 1.25 0.00 0.00 0.00 175.76 179.21 1q8i h HIS 86 N 6.52 0.59 -0.06 0.00 2.76 -1.93 -1.93 115.15 121.11 1q8i h HIS 86 Ca -0.34 -0.19 -0.06 0.00 -2.20 0.00 0.00 60.37 57.59 1q8i h HIS 86 Cb 1.17 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 30.00 1q8i h HIS 86 CO 0.45 0.87 -0.25 -0.09 -1.30 0.00 0.00 177.93 177.61 1q8i h ARG 87 N 0.39 0.10 -0.25 5.26 2.43 -1.99 -0.40 114.38 119.92 1q8i h ARG 87 Ca 0.02 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 1q8i h ARG 87 Cb 0.97 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1q8i h ARG 87 CO 0.09 0.35 -0.55 0.37 -1.51 0.00 0.00 179.97 178.71 1q8i h GLN 88 N 0.09 0.77 -0.45 0.20 4.15 -1.87 -1.21 115.11 116.78 1q8i h GLN 88 Ca 0.01 -0.48 -0.03 0.00 0.77 0.00 0.00 58.65 58.92 1q8i h GLN 88 Cb 0.50 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 1q8i h GLN 88 CO 0.04 1.11 0.17 1.25 -1.93 0.00 0.00 178.83 179.47 1q8i h LEU 89 N 0.59 0.62 -0.38 -2.39 5.85 -0.66 0.16 115.31 119.10 1q8i h LEU 89 Ca 0.01 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1q8i h LEU 89 Cb 1.13 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1q8i h LEU 89 CO 0.12 0.63 0.24 0.24 -0.34 0.00 0.00 178.44 179.33 1q8i h MET 90 N 0.58 0.48 -0.44 1.25 2.86 -0.94 0.23 114.93 118.95 1q8i h MET 90 Ca 0.15 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1q8i h MET 90 Cb 0.20 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1q8i h MET 90 CO -0.01 0.32 0.29 -0.91 1.06 0.00 0.00 176.91 177.65 1q8i h ASN 91 N 0.50 0.51 -0.09 1.22 2.35 -0.92 -2.65 115.58 116.50 1q8i h ASN 91 Ca 0.14 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 1q8i h ASN 91 Cb -0.04 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1q8i h ASN 91 CO -0.04 0.38 -0.14 1.88 -1.65 0.00 0.00 177.43 177.86 1q8i h TYR 92 N 0.60 0.47 0.30 1.19 0.05 -0.32 -2.43 116.97 116.83 1q8i h TYR 92 Ca 0.16 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1q8i h TYR 92 Cb -0.05 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 1q8i h TYR 92 CO -0.04 0.57 -0.22 1.49 -1.05 0.00 0.00 178.16 178.90 1q8i h GLU 93 N 0.41 -0.51 -0.66 4.88 4.81 -0.79 0.10 114.58 122.83 1q8i h GLU 93 Ca 0.08 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1q8i h GLU 93 Cb 0.48 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 1q8i h GLU 93 CO 0.03 -0.34 0.39 0.87 -0.73 0.00 0.00 179.01 179.23 1q8i h LYS 94 N -0.53 0.72 -0.64 1.92 1.57 -1.38 -0.09 116.57 118.14 1q8i h LYS 94 Ca -0.02 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1q8i h LYS 94 Cb 0.46 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1q8i h LYS 94 CO -0.00 0.48 0.21 0.00 -0.57 0.00 0.00 179.45 179.57 1q8i h ARG 95 N 0.74 0.97 -0.13 3.15 3.08 -1.26 0.56 114.38 121.48 1q8i h ARG 95 Ca 0.28 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1q8i h ARG 95 Cb 0.10 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1q8i h ARG 95 CO -0.14 0.82 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.50 1q8i h LEU 96 N 0.94 0.25 -0.57 3.04 3.38 -0.56 -0.26 115.31 121.53 1q8i h LEU 96 Ca 0.21 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1q8i h LEU 96 Cb 0.25 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1q8i h LEU 96 CO -0.01 0.53 0.36 0.03 0.09 0.00 0.00 178.44 179.45 1q8i h ARG 97 N -0.04 0.71 -0.49 1.13 3.08 -0.93 0.19 114.38 118.03 1q8i h ARG 97 Ca 0.04 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1q8i h ARG 97 Cb 0.42 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1q8i h ARG 97 CO 0.01 0.47 0.33 1.49 -1.07 0.00 0.00 179.97 181.20 1q8i h GLU 98 N 0.73 0.58 -0.05 0.04 4.81 -0.79 -0.40 114.58 119.51 1q8i h GLU 98 Ca 0.22 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1q8i h GLU 98 Cb -0.04 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1q8i h GLU 98 CO -0.07 0.39 0.00 0.41 -0.73 0.00 0.00 179.01 179.01 1q8i n GLY 99 N -1.47 -0.57 1.18 1.92 0.00 -0.12 -4.90 105.19 101.23 1q8i n GLY 99 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1q8i n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q8i n GLY 100 N 0.93 0.67 3.79 -0.02 0.00 -0.16 -5.04 105.19 105.36 1q8i n GLY 100 Ca 0.16 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1q8i n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q8i s VAL 101 N -2.00 5.38 0.07 1.61 1.01 0.54 -4.98 120.40 122.04 1q8i s VAL 101 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 1q8i s VAL 101 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 1q8i s VAL 101 CO 0.00 0.50 1.05 -0.89 0.00 0.00 0.00 175.10 175.76 1q8i s THR 102 N -0.22 4.39 -0.07 3.92 2.01 -1.26 -3.60 115.64 120.82 1q8i s THR 102 Ca 0.14 1.83 0.02 0.00 0.31 0.00 0.00 61.69 64.00 1q8i s THR 102 Cb -0.12 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.22 1q8i s THR 102 CO 0.03 0.21 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.35 1q8i s VAL 103 N 0.55 1.20 0.04 3.82 1.01 -1.26 -4.29 120.40 121.47 1q8i s VAL 103 Ca 0.52 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1q8i s VAL 103 Cb -0.25 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1q8i s VAL 103 CO 0.30 0.37 -0.05 -0.31 0.00 0.00 0.00 175.10 175.41 1q8i s TYR 104 N 0.62 2.90 -1.70 5.22 1.51 0.77 -4.68 117.35 121.99 1q8i s TYR 104 Ca -0.15 -0.04 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 1q8i s TYR 104 Cb -0.16 -1.57 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 1q8i s TYR 104 CO 0.04 0.41 0.00 0.39 -1.11 0.00 0.00 175.55 175.28 1q8i n GLU 105 N 1.22 -1.21 0.03 -0.62 1.02 -1.26 -1.36 120.64 118.46 1q8i n GLU 105 Ca -0.14 1.02 0.11 0.00 -0.02 0.00 0.00 57.16 58.13 1q8i n GLU 105 Cb 0.52 -5.29 0.46 0.00 -0.02 0.00 0.00 31.44 27.11 1q8i n GLU 105 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q8i n ALA 106 N 0.57 1.97 1.18 0.62 0.00 -1.26 -2.65 120.51 120.95 1q8i n ALA 106 Ca -0.18 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.36 1q8i n ALA 106 Cb 0.57 -1.37 0.63 0.00 0.00 0.00 0.00 19.45 19.29 1q8i n ALA 106 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1q8i n ASP 107 N -1.72 0.09 -4.67 0.00 5.75 -1.26 -4.79 116.55 109.95 1q8i n ASP 107 Ca 0.05 0.11 -0.43 0.00 -0.01 0.00 0.00 54.79 54.51 1q8i n ASP 107 Cb 0.27 -0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 40.02 1q8i n ASP 107 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1q8i s VAL 108 N -2.80 4.59 0.55 2.12 1.01 -1.08 -5.02 120.40 119.76 1q8i s VAL 108 Ca 0.20 1.91 -0.13 0.00 0.00 0.00 0.00 61.98 63.95 1q8i s VAL 108 Cb 0.19 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1q8i s VAL 108 CO 0.52 -0.13 0.98 -0.13 0.00 0.00 0.00 175.10 176.33 1q8i s ARG 109 N 3.03 3.78 0.22 2.72 0.52 -1.26 -4.84 118.95 123.12 1q8i s ARG 109 Ca 0.48 0.80 -0.07 0.00 -0.52 0.00 0.00 55.73 56.42 1q8i s ARG 109 Cb -0.17 -2.14 0.32 0.00 0.52 0.00 0.00 34.95 33.48 1q8i s ARG 109 CO 0.10 -0.37 1.78 -1.35 0.02 0.00 0.00 175.30 175.48 1q8i h PRO 110 N 0.41 0.57 -0.22 3.54 0.11 -1.97 0.75 132.00 135.18 1q8i h PRO 110 Ca -0.46 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1q8i h PRO 110 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1q8i h PRO 110 CO 0.62 0.38 -0.06 -1.35 -0.21 0.00 0.00 178.00 177.38 1q8i h PRO 111 N 0.59 0.43 -0.13 1.05 0.11 -1.95 -2.46 132.00 129.64 1q8i h PRO 111 Ca 0.34 -0.17 -0.09 0.00 0.11 0.00 0.00 66.00 66.20 1q8i h PRO 111 Cb 0.35 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1q8i h PRO 111 CO -0.26 0.67 -0.31 1.05 -0.21 0.00 0.00 178.00 178.94 1q8i h GLU 112 N 0.16 0.25 -0.01 1.05 4.11 -1.91 -1.08 114.58 117.15 1q8i h GLU 112 Ca 0.06 -0.09 0.02 0.00 0.07 0.00 0.00 59.36 59.42 1q8i h GLU 112 Cb 0.51 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1q8i h GLU 112 CO 0.02 0.53 -0.12 -0.09 0.07 0.00 0.00 179.01 179.42 1q8i h ARG 113 N 0.22 -0.19 -0.07 1.06 2.43 -0.69 0.54 114.38 117.67 1q8i h ARG 113 Ca 0.03 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1q8i h ARG 113 Cb 0.66 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1q8i h ARG 113 CO 0.05 -0.13 0.03 -0.92 -1.51 0.00 0.00 179.97 177.49 1q8i h TYR 114 N -0.20 0.09 0.18 2.20 3.20 -0.95 -2.84 116.97 118.64 1q8i h TYR 114 Ca 0.05 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1q8i h TYR 114 Cb 0.26 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1q8i h TYR 114 CO -0.19 0.16 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.34 1q8i h LEU 115 N -0.00 -0.20 -0.40 2.82 3.38 -1.05 -3.24 115.31 116.61 1q8i h LEU 115 Ca 0.02 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.94 1q8i h LEU 115 Cb 0.11 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 1q8i h LEU 115 CO -0.00 0.01 -0.28 0.24 0.09 0.00 0.00 178.44 178.50 1q8i h MET 116 N -0.41 -0.20 0.00 1.13 2.86 -0.94 -0.44 114.93 116.93 1q8i h MET 116 Ca -0.02 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1q8i h MET 116 Cb 0.32 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1q8i h MET 116 CO 0.04 -0.14 0.00 0.93 1.06 0.00 0.00 176.91 178.80 1q8i h GLU 117 N -0.21 0.00 -0.51 1.72 4.39 -1.55 -1.38 114.58 117.03 1q8i h GLU 117 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1q8i h GLU 117 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1q8i h GLU 117 CO -0.52 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 177.87 1q8i n ARG 118 N -2.47 2.97 -2.28 2.33 1.74 -0.27 -4.94 116.66 113.74 1q8i n ARG 118 Ca -0.01 -2.45 -0.19 0.00 -0.77 0.00 0.00 57.85 54.44 1q8i n ARG 118 Cb 0.08 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 1q8i n ARG 118 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1q8i n PHE 119 N 0.90 -0.80 -3.41 -1.55 3.01 -0.52 -4.53 117.46 110.56 1q8i n PHE 119 Ca 0.19 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.27 1q8i n PHE 119 Cb 0.60 -3.60 -0.06 0.00 -0.01 0.00 0.00 39.48 36.41 1q8i n PHE 119 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1q8i s ILE 120 N -2.90 4.99 0.00 4.37 1.01 -0.62 -4.75 121.20 123.30 1q8i s ILE 120 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.61 1q8i s ILE 120 Cb 0.00 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1q8i s ILE 120 CO 0.00 0.52 0.00 0.35 0.00 0.00 0.00 174.94 175.81 1q8i n THR 121 N 2.17 0.00 0.00 2.92 -2.24 -1.26 -4.32 114.28 111.55 1q8i n THR 121 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1q8i n THR 121 Cb 0.52 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1q8i n THR 121 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1q8i n SER 122 N -0.90 1.18 -4.72 3.42 7.64 -1.26 -4.84 113.62 114.13 1q8i n SER 122 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1q8i n SER 122 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1q8i n SER 122 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1q8i s PRO 123 N -1.87 4.57 0.06 1.43 0.04 -1.26 -0.97 135.00 137.00 1q8i s PRO 123 Ca 0.00 1.28 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 1q8i s PRO 123 Cb 0.00 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 1q8i s PRO 123 CO 0.00 0.11 0.06 0.14 0.04 0.00 0.00 177.00 177.35 1q8i s VAL 124 N 0.45 0.18 -0.13 -0.36 -7.23 0.99 -1.84 120.40 112.46 1q8i s VAL 124 Ca 0.46 -1.47 -0.07 0.00 -1.81 0.00 0.00 61.98 59.08 1q8i s VAL 124 Cb -0.21 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1q8i s VAL 124 CO 0.26 -0.81 0.12 0.26 -0.31 0.00 0.00 175.10 174.62 1q8i s TRP 125 N -3.60 3.51 -0.04 2.82 0.52 0.10 -0.77 118.94 121.49 1q8i s TRP 125 Ca 0.04 0.44 0.03 0.00 0.02 0.00 0.00 56.10 56.63 1q8i s TRP 125 Cb 0.05 -1.97 0.00 0.00 -1.15 0.00 0.00 33.47 30.41 1q8i s TRP 125 CO -0.09 0.62 -0.12 0.54 0.02 0.00 0.00 176.95 177.91 1q8i s VAL 126 N -0.73 1.04 0.12 4.03 0.11 0.15 -1.97 120.40 123.15 1q8i s VAL 126 Ca 0.13 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 1q8i s VAL 126 Cb -0.12 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1q8i s VAL 126 CO 0.03 0.32 -0.03 -1.83 -3.33 0.00 0.00 175.10 170.25 1q8i s GLU 127 N 0.21 0.93 0.00 1.54 -1.05 -0.61 -1.29 118.70 118.43 1q8i s GLU 127 Ca -0.05 -1.41 0.00 0.00 -0.15 0.00 0.00 54.97 53.37 1q8i s GLU 127 Cb -0.11 -0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.40 1q8i s GLU 127 CO 0.01 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.56 1q8i n GLY 128 N -0.11 -0.30 3.75 -3.83 0.00 -1.26 -0.99 105.19 102.46 1q8i n GLY 128 Ca -0.10 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 1q8i n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q8i s ASP 129 N -4.00 6.38 -0.05 1.61 1.01 -0.22 -4.91 116.67 116.49 1q8i s ASP 129 Ca 0.00 0.44 -0.28 0.00 0.71 0.00 0.00 52.55 53.42 1q8i s ASP 129 Cb 0.00 -2.14 -0.03 0.00 1.01 0.00 0.00 42.92 41.76 1q8i s ASP 129 CO 0.00 0.18 0.92 -0.32 0.21 0.00 0.00 175.17 176.16 1q8i s MET 130 N 0.16 4.48 -0.25 8.23 1.75 -1.26 0.14 119.30 132.54 1q8i s MET 130 Ca 0.14 1.28 -0.02 0.00 -1.25 0.00 0.00 55.69 55.84 1q8i s MET 130 Cb -0.12 -3.49 0.12 0.00 2.84 0.00 0.00 34.83 34.18 1q8i s MET 130 CO 0.03 -0.12 0.28 -1.58 -0.65 0.00 0.00 175.02 172.97 1q8i s HIS 131 N 1.33 -0.43 -1.21 4.11 5.04 0.14 -4.91 115.29 119.36 1q8i s HIS 131 Ca 0.47 0.07 -0.05 0.00 -1.54 0.00 0.00 55.06 54.02 1q8i s HIS 131 Cb -0.19 -0.38 -0.02 0.00 0.04 0.00 0.00 32.58 32.04 1q8i s HIS 131 CO 0.22 -0.79 0.81 0.09 -2.34 0.00 0.00 174.74 172.73 1q8i n ASN 132 N 5.32 -3.10 0.00 9.88 3.02 -1.26 -1.72 115.26 127.40 1q8i n ASN 132 Ca -0.04 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1q8i n ASN 132 Cb 0.48 -4.36 0.00 0.00 -0.61 0.00 0.00 39.78 35.29 1q8i n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q8i n GLY 133 N -1.45 1.06 3.60 7.41 0.00 -1.26 -4.99 105.19 109.57 1q8i n GLY 133 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1q8i n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q8i s THR 134 N -2.70 3.61 -0.30 2.61 2.01 -0.70 -4.57 115.64 115.60 1q8i s THR 134 Ca 0.00 -0.99 -0.17 0.00 0.31 0.00 0.00 61.69 60.84 1q8i s THR 134 Cb 0.00 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 1q8i s THR 134 CO 0.00 0.25 0.48 -0.63 -0.69 0.00 0.00 174.62 174.03 1q8i s ILE 135 N -1.13 5.07 0.33 1.82 1.01 -0.43 0.28 121.20 128.15 1q8i s ILE 135 Ca 0.20 0.56 0.07 0.00 0.00 0.00 0.00 60.65 61.48 1q8i s ILE 135 Cb -0.11 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 1q8i s ILE 135 CO 0.12 -0.04 0.28 0.68 0.00 0.00 0.00 174.94 175.98 1q8i s VAL 136 N 2.30 3.62 -1.51 2.92 -7.23 0.12 -0.56 120.40 120.06 1q8i s VAL 136 Ca 0.19 -1.37 -0.13 0.00 -1.81 0.00 0.00 61.98 58.86 1q8i s VAL 136 Cb -0.16 -3.21 0.07 0.00 0.56 0.00 0.00 36.38 33.65 1q8i s VAL 136 CO 0.11 -0.19 0.96 0.59 -0.31 0.00 0.00 175.10 176.26 1q8i n ASN 137 N -1.35 -5.00 -4.87 4.85 3.02 -0.94 -1.06 115.26 109.92 1q8i n ASN 137 Ca -0.02 -0.70 -0.31 0.00 -0.03 0.00 0.00 54.58 53.51 1q8i n ASN 137 Cb 0.60 -3.99 -0.01 0.00 -0.61 0.00 0.00 39.78 35.77 1q8i n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q8i s ALA 138 N -3.27 3.16 -0.02 5.41 0.00 -0.77 -4.47 121.76 121.81 1q8i s ALA 138 Ca 0.63 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.51 1q8i s ALA 138 Cb -0.31 -2.98 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1q8i s ALA 138 CO 0.77 -0.47 -0.05 -0.98 0.00 0.00 0.00 175.76 175.04 1q8i s ARG 139 N -4.72 0.57 0.15 0.00 1.70 -0.16 -4.72 118.95 111.77 1q8i s ARG 139 Ca 0.54 -0.17 0.09 0.00 -0.47 0.00 0.00 55.73 55.73 1q8i s ARG 139 Cb -0.11 -0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 33.65 1q8i s ARG 139 CO 0.45 0.05 -0.16 -0.51 -1.08 0.00 0.00 175.30 174.05 1q8i s LEU 140 N 0.24 2.74 0.08 -1.89 1.02 -1.26 -1.58 118.68 118.03 1q8i s LEU 140 Ca -0.03 -0.62 -0.09 0.00 0.02 0.00 0.00 54.13 53.42 1q8i s LEU 140 Cb -0.07 -1.52 -0.00 0.00 0.02 0.00 0.00 46.19 44.62 1q8i s LEU 140 CO -0.00 0.14 0.19 -1.59 0.02 0.00 0.00 176.35 175.11 1q8i s LYS 141 N -2.45 0.81 0.41 1.70 -2.85 -0.83 -4.99 119.74 111.54 1q8i s LYS 141 Ca 0.21 -0.89 -0.27 0.00 -1.00 0.00 0.00 55.97 54.02 1q8i s LYS 141 Cb -0.10 0.33 -0.10 0.00 -2.06 0.00 0.00 37.83 35.90 1q8i s LYS 141 CO 0.12 -0.25 1.47 -2.14 0.10 0.00 0.00 175.35 174.65 1q8i s PRO 142 N -3.58 3.90 -0.39 1.78 0.02 -1.26 -0.73 135.00 134.74 1q8i s PRO 142 Ca 0.03 2.52 0.08 0.00 0.02 0.00 0.00 61.00 63.66 1q8i s PRO 142 Cb 0.04 -2.82 0.26 0.00 0.02 0.00 0.00 34.50 32.00 1q8i s PRO 142 CO -0.09 -0.68 0.57 1.58 -0.33 0.00 0.00 177.00 178.04 1q8i n HIS 143 N 0.15 -0.47 -0.36 6.54 -0.00 -0.76 -4.47 115.22 115.85 1q8i n HIS 143 Ca 0.03 -3.49 0.26 0.00 0.46 0.00 0.00 57.72 54.98 1q8i n HIS 143 Cb 0.40 -0.25 0.53 0.00 -0.12 0.00 0.00 29.99 30.56 1q8i n HIS 143 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1q8i h PRO 144 N 3.87 0.31 -0.00 1.57 0.11 -1.94 -2.12 132.00 133.79 1q8i h PRO 144 Ca 0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1q8i h PRO 144 Cb 0.90 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1q8i h PRO 144 CO 0.46 0.20 -0.20 -0.40 -0.21 0.00 0.00 178.00 177.85 1q8i n ASP 145 N -4.71 0.57 -4.73 -2.05 5.68 -1.26 -4.92 116.55 105.13 1q8i n ASP 145 Ca 0.29 -0.49 -0.41 0.00 -0.50 0.00 0.00 54.79 53.68 1q8i n ASP 145 Cb 1.02 -0.01 -0.04 0.00 -1.14 0.00 0.00 41.12 40.95 1q8i n ASP 145 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1q8i s TYR 146 N -2.62 3.62 -0.03 2.11 5.04 -0.80 -5.04 117.35 119.64 1q8i s TYR 146 Ca 0.23 1.61 0.03 0.00 -2.44 0.00 0.00 57.07 56.50 1q8i s TYR 146 Cb 0.19 -3.25 0.00 0.00 0.35 0.00 0.00 41.96 39.26 1q8i s TYR 146 CO 0.53 -0.52 -0.10 1.03 -1.34 0.00 0.00 175.55 175.15 1q8i s ARG 147 N -0.12 1.04 0.36 4.97 1.81 -1.26 -4.73 118.95 121.02 1q8i s ARG 147 Ca 0.50 -0.34 -0.07 0.00 -1.72 0.00 0.00 55.73 54.09 1q8i s ARG 147 Cb -0.28 -0.96 -0.06 0.00 -0.45 0.00 0.00 34.95 33.20 1q8i s ARG 147 CO 0.33 0.14 0.68 -1.25 -0.68 0.00 0.00 175.30 174.52 1q8i s PRO 148 N 0.13 3.69 0.26 3.54 0.04 -1.26 -5.02 135.00 136.38 1q8i s PRO 148 Ca -0.02 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 60.95 1q8i s PRO 148 Cb -0.08 -2.50 -0.09 0.00 0.04 0.00 0.00 34.50 31.86 1q8i s PRO 148 CO 0.01 0.05 1.27 -2.14 0.04 0.00 0.00 177.00 176.23 1q8i s PRO 149 N -3.83 4.42 0.03 0.56 0.02 -1.26 -5.05 135.00 129.88 1q8i s PRO 149 Ca 0.48 2.07 0.03 0.00 0.02 0.00 0.00 61.00 63.59 1q8i s PRO 149 Cb -0.10 -3.15 -0.02 0.00 0.02 0.00 0.00 34.50 31.25 1q8i s PRO 149 CO 0.32 -0.15 -0.08 -0.51 -0.33 0.00 0.00 177.00 176.25 1q8i s LEU 150 N -0.92 2.16 -0.02 -5.54 1.43 -1.26 -4.84 118.68 109.69 1q8i s LEU 150 Ca 0.52 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1q8i s LEU 150 Cb -0.37 -0.28 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 1q8i s LEU 150 CO 0.44 -0.08 -0.05 -0.54 0.23 0.00 0.00 176.35 176.35 1q8i s LYS 151 N -1.05 2.67 0.29 1.70 1.02 -1.26 -4.98 119.74 118.14 1q8i s LYS 151 Ca -0.04 -0.63 0.10 0.00 0.02 0.00 0.00 55.97 55.42 1q8i s LYS 151 Cb -0.07 -2.57 -0.05 0.00 -0.52 0.00 0.00 37.83 34.62 1q8i s LYS 151 CO 0.00 0.63 -0.04 -1.58 -0.92 0.00 0.00 175.35 173.45 1q8i s TRP 152 N -0.95 2.56 -0.05 3.18 0.51 -1.26 -0.72 118.94 122.21 1q8i s TRP 152 Ca 0.16 -0.32 0.00 0.00 -2.12 0.00 0.00 56.10 53.83 1q8i s TRP 152 Cb -0.11 -1.25 0.02 0.00 -0.81 0.00 0.00 33.47 31.32 1q8i s TRP 152 CO 0.06 0.59 -0.02 0.54 -0.51 0.00 0.00 176.95 177.60 1q8i s VAL 153 N -2.43 0.42 -0.31 4.03 0.11 0.09 -2.44 120.40 119.87 1q8i s VAL 153 Ca 0.32 -0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 59.21 1q8i s VAL 153 Cb -0.04 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1q8i s VAL 153 CO 0.19 0.21 0.34 -0.55 -3.33 0.00 0.00 175.10 171.97 1q8i s SER 154 N 1.18 6.18 0.02 3.54 0.15 0.62 -0.91 113.70 124.49 1q8i s SER 154 Ca -0.07 -0.01 0.05 0.00 0.70 0.00 0.00 55.95 56.62 1q8i s SER 154 Cb -0.14 -2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 61.95 1q8i s SER 154 CO -0.02 -0.25 -0.12 -0.51 1.20 0.00 0.00 173.24 173.55 1q8i s ILE 155 N 2.01 3.22 -0.21 6.45 2.07 -0.65 -1.48 121.20 132.61 1q8i s ILE 155 Ca 0.12 -0.98 -0.13 0.00 -1.41 0.00 0.00 60.65 58.25 1q8i s ILE 155 Cb -0.16 -2.38 0.07 0.00 0.13 0.00 0.00 42.46 40.11 1q8i s ILE 155 CO 0.11 0.36 0.52 -0.62 -1.91 0.00 0.00 174.94 173.40 1q8i s ASP 156 N -1.44 -0.67 0.28 4.50 2.15 -0.82 -4.64 116.67 116.04 1q8i s ASP 156 Ca 0.16 1.12 0.10 0.00 0.43 0.00 0.00 52.55 54.36 1q8i s ASP 156 Cb -0.11 1.01 -0.04 0.00 -0.30 0.00 0.00 42.92 43.48 1q8i s ASP 156 CO 0.07 -0.21 -0.00 0.27 -0.17 0.00 0.00 175.17 175.12 1q8i s ILE 157 N 1.35 3.25 -0.03 4.11 -4.36 -1.26 -1.07 121.20 123.19 1q8i s ILE 157 Ca -0.09 -1.94 0.06 0.00 -0.26 0.00 0.00 60.65 58.42 1q8i s ILE 157 Cb -0.07 -2.81 -0.01 0.00 1.25 0.00 0.00 42.46 40.82 1q8i s ILE 157 CO -0.14 -0.34 -0.20 -1.61 0.24 0.00 0.00 174.94 172.89 1q8i s GLU 158 N -3.68 1.77 0.28 0.37 8.01 -0.89 -5.01 118.70 119.55 1q8i s GLU 158 Ca 0.32 -0.72 0.03 0.00 0.01 0.00 0.00 54.97 54.61 1q8i s GLU 158 Cb -0.05 -1.64 -0.04 0.00 -4.31 0.00 0.00 34.13 28.09 1q8i s GLU 158 CO 0.20 0.39 0.18 0.95 0.01 0.00 0.00 175.26 176.98 1q8i s THR 159 N -0.32 0.17 1.17 3.63 -4.23 -1.26 0.48 115.64 115.28 1q8i s THR 159 Ca 0.04 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.37 1q8i s THR 159 Cb -0.09 -2.51 0.27 0.00 1.34 0.00 0.00 72.50 71.51 1q8i s THR 159 CO 0.00 0.00 1.11 0.42 -0.54 0.00 0.00 174.62 175.61 1q8i s THR 160 N -3.73 1.67 0.28 3.99 -4.23 0.97 -4.85 115.64 109.75 1q8i s THR 160 Ca 0.38 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.18 1q8i s THR 160 Cb 0.05 -2.49 0.30 0.00 1.34 0.00 0.00 72.50 71.71 1q8i s THR 160 CO 0.18 0.00 2.00 -0.09 -0.54 0.00 0.00 174.62 176.17 1q8i h ARG 161 N -2.47 0.00 -0.41 3.99 2.43 -2.02 -1.82 114.38 114.08 1q8i h ARG 161 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1q8i h ARG 161 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1q8i h ARG 161 CO 0.38 0.12 0.00 0.72 -1.51 0.00 0.00 179.97 179.69 1q8i n HIS 162 N -3.41 0.54 -0.51 2.20 8.25 -1.26 -4.95 115.22 116.08 1q8i n HIS 162 Ca -0.01 -0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 1q8i n HIS 162 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1q8i n HIS 162 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q8i n GLY 163 N 1.20 0.75 3.73 -1.41 0.00 -0.68 -5.05 105.19 103.73 1q8i n GLY 163 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1q8i n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q8i s GLU 164 N -0.49 4.67 0.41 1.61 2.02 -1.26 -4.69 118.70 120.97 1q8i s GLU 164 Ca 0.00 1.44 -0.26 0.00 0.02 0.00 0.00 54.97 56.17 1q8i s GLU 164 Cb 0.00 -3.39 -0.10 0.00 0.10 0.00 0.00 34.13 30.74 1q8i s GLU 164 CO 0.00 0.17 1.37 1.28 0.02 0.00 0.00 175.26 178.10 1q8i n LEU 165 N 2.98 4.47 -0.08 1.80 4.77 -1.26 -0.02 117.00 129.66 1q8i n LEU 165 Ca 0.03 1.15 -0.18 0.00 -0.03 0.00 0.00 56.01 56.98 1q8i n LEU 165 Cb 0.49 -1.56 -0.06 0.00 -2.33 0.00 0.00 43.42 39.97 1q8i n LEU 165 CO 0.51 -0.28 -1.08 -1.22 -1.33 0.00 0.00 177.39 173.99 1q8i n TYR 166 N 0.02 0.00 -3.83 -1.77 4.01 0.18 -4.80 117.16 110.96 1q8i n TYR 166 Ca 0.05 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.71 1q8i n TYR 166 Cb 0.39 -0.60 -0.02 0.00 -0.31 0.00 0.00 39.34 38.80 1q8i n TYR 166 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1q8i s ILE 168 N -3.91 0.43 -0.10 0.00 1.01 -0.14 -2.10 121.20 116.39 1q8i s ILE 168 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 1q8i s ILE 168 Cb -0.05 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.88 1q8i s ILE 168 CO 0.05 0.22 0.03 -0.83 0.00 0.00 0.00 174.94 174.41 1q8i s GLY 169 N 1.24 1.90 -0.10 6.18 0.00 -0.23 -0.29 107.32 116.03 1q8i s GLY 169 Ca -0.06 -0.77 -0.01 0.00 0.00 0.00 0.00 44.72 43.87 1q8i s GLY 169 CO -0.02 -0.47 -0.00 1.08 0.00 0.00 0.00 173.10 173.69 1q8i s LEU 170 N -0.77 0.74 -0.16 0.66 1.43 0.02 -1.94 118.68 118.66 1q8i s LEU 170 Ca 0.12 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1q8i s LEU 170 Cb -0.12 -0.50 0.02 0.00 0.03 0.00 0.00 46.19 45.62 1q8i s LEU 170 CO 0.02 -0.20 -0.17 -0.70 0.23 0.00 0.00 176.35 175.53 1q8i s GLU 171 N 1.93 2.63 0.00 1.70 2.12 -0.55 -1.35 118.70 125.17 1q8i s GLU 171 Ca 0.04 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 54.68 1q8i s GLU 171 Cb -0.13 -2.29 0.00 0.00 0.26 0.00 0.00 34.13 31.97 1q8i s GLU 171 CO -0.06 -0.19 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 1q8i n GLY 172 N 4.59 2.18 2.45 -1.50 0.00 0.24 -0.27 105.19 112.88 1q8i n GLY 172 Ca -0.19 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 43.81 1q8i n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q8i n GLY 174 N -1.06 0.47 3.34 0.00 0.00 -1.26 -5.02 105.19 101.67 1q8i n GLY 174 Ca -0.24 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 1q8i n GLY 174 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1q8i s GLN 175 N -0.53 1.47 -0.13 1.61 1.03 -0.61 -5.14 119.66 117.35 1q8i s GLN 175 Ca 0.00 -1.62 -0.04 0.00 0.04 0.00 0.00 55.36 53.74 1q8i s GLN 175 Cb 0.00 0.35 0.07 0.00 0.03 0.00 0.00 33.01 33.46 1q8i s GLN 175 CO 0.00 -0.55 0.23 1.03 -2.54 0.00 0.00 175.29 173.46 1q8i s ARG 176 N -3.86 0.13 -0.01 9.60 0.52 -1.26 -0.59 118.95 123.48 1q8i s ARG 176 Ca 0.34 0.58 -0.12 0.00 -0.52 0.00 0.00 55.73 56.02 1q8i s ARG 176 Cb 0.03 -0.35 0.01 0.00 0.52 0.00 0.00 34.95 35.17 1q8i s ARG 176 CO 0.15 -0.37 0.24 -1.50 0.02 0.00 0.00 175.30 173.84 1q8i s ILE 177 N 2.37 0.07 -0.10 1.52 2.07 -0.46 -2.76 121.20 123.90 1q8i s ILE 177 Ca 0.03 -0.55 0.03 0.00 -1.41 0.00 0.00 60.65 58.74 1q8i s ILE 177 Cb -0.13 -0.54 0.01 0.00 0.13 0.00 0.00 42.46 41.93 1q8i s ILE 177 CO -0.09 -0.30 -0.19 -0.69 -1.91 0.00 0.00 174.94 171.76 1q8i s VAL 178 N -1.33 1.76 -0.26 4.00 1.01 -0.50 -0.80 120.40 124.28 1q8i s VAL 178 Ca -0.14 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1q8i s VAL 178 Cb -0.06 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1q8i s VAL 178 CO 0.03 0.49 0.21 -0.31 0.00 0.00 0.00 175.10 175.53 1q8i s TYR 179 N 0.64 3.26 0.01 5.22 2.02 0.61 -1.71 117.35 127.41 1q8i s TYR 179 Ca -0.13 0.22 0.06 0.00 -0.37 0.00 0.00 57.07 56.85 1q8i s TYR 179 Cb -0.16 -2.37 -0.02 0.00 -0.40 0.00 0.00 41.96 39.01 1q8i s TYR 179 CO 0.03 -0.08 -0.19 1.41 -1.57 0.00 0.00 175.55 175.15 1q8i s MET 180 N 1.52 1.44 -0.15 -0.62 -2.45 -0.51 -0.97 119.30 117.57 1q8i s MET 180 Ca 0.09 -0.79 -0.29 0.00 -1.25 0.00 0.00 55.69 53.45 1q8i s MET 180 Cb -0.15 -1.46 -0.04 0.00 1.25 0.00 0.00 34.83 34.43 1q8i s MET 180 CO 0.08 0.39 1.63 -1.17 1.05 0.00 0.00 175.02 177.00 1q8i s LEU 181 N -0.78 4.07 0.00 4.11 2.96 0.27 -0.88 118.68 128.43 1q8i s LEU 181 Ca 0.07 1.88 0.00 0.00 -0.22 0.00 0.00 54.13 55.86 1q8i s LEU 181 Cb -0.08 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.08 1q8i s LEU 181 CO 0.00 -1.12 0.00 0.61 -1.32 0.00 0.00 176.35 174.53 1q8i n GLY 182 N 4.42 0.00 2.99 7.98 0.00 0.92 -4.80 105.19 116.70 1q8i n GLY 182 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 1q8i n GLY 182 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1q8i n PRO 183 N 0.00 -1.79 -1.88 1.61 -0.02 -1.26 -5.01 135.00 126.65 1q8i n PRO 183 Ca 0.00 1.65 -0.39 0.00 -2.02 0.00 0.00 63.50 62.74 1q8i n PRO 183 Cb 0.00 -2.14 0.02 0.00 -0.02 0.00 0.00 33.50 31.36 1q8i n PRO 183 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1q8i s GLU 184 N -0.63 3.62 0.37 -0.52 2.12 -1.26 -5.03 118.70 117.36 1q8i s GLU 184 Ca -0.05 2.28 -0.05 0.00 0.36 0.00 0.00 54.97 57.51 1q8i s GLU 184 Cb 0.00 -2.56 0.02 0.00 0.26 0.00 0.00 34.13 31.85 1q8i s GLU 184 CO 0.23 -0.82 0.58 0.54 -0.54 0.00 0.00 175.26 175.24 1q8i s ASN 185 N -0.72 0.78 0.65 -1.70 6.03 -1.26 -5.09 114.94 113.63 1q8i s ASN 185 Ca 0.63 -1.46 0.00 0.00 -1.03 0.00 0.00 52.86 51.00 1q8i s ASN 185 Cb -0.41 0.74 0.00 0.00 -3.03 0.00 0.00 41.25 38.55 1q8i s ASN 185 CO 0.51 -1.45 0.00 0.61 -2.03 0.00 0.00 177.10 174.74 1q8i n GLY 186 N -0.58 0.50 2.70 0.45 0.00 -1.24 -4.34 105.19 102.66 1q8i n GLY 186 Ca -0.02 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 1q8i n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1q8i s ASP 187 N -4.00 2.30 -0.08 1.61 2.15 -1.26 -5.03 116.67 112.36 1q8i s ASP 187 Ca 0.00 -0.52 0.16 0.00 0.43 0.00 0.00 52.55 52.62 1q8i s ASP 187 Cb 0.00 -0.41 0.59 0.00 -0.30 0.00 0.00 42.92 42.80 1q8i s ASP 187 CO 0.00 -0.29 1.48 0.00 -0.17 0.00 0.00 175.17 176.19 1q8i n ALA 188 N 5.16 2.89 -0.12 3.66 0.00 -1.26 -4.53 120.51 126.31 1q8i n ALA 188 Ca -0.07 -1.26 -0.12 0.00 0.00 0.00 0.00 53.44 51.98 1q8i n ALA 188 Cb 0.49 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 1q8i n ALA 188 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1q8i h SER 189 N 3.45 0.84 -0.36 0.00 4.64 -2.01 -3.19 113.55 116.91 1q8i h SER 189 Ca 0.00 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1q8i h SER 189 Cb 1.17 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1q8i h SER 189 CO 0.16 1.07 0.00 -0.24 -0.87 0.00 0.00 176.83 176.95 1q8i n SER 190 N -4.24 3.41 -4.77 4.97 2.88 -1.26 -4.92 113.62 109.68 1q8i n SER 190 Ca -0.02 -2.41 -0.39 0.00 -1.33 0.00 0.00 58.87 54.73 1q8i n SER 190 Cb 0.44 -0.53 -0.03 0.00 -0.75 0.00 0.00 64.21 63.34 1q8i n SER 190 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1q8i s LEU 191 N -1.46 4.28 0.00 2.46 1.43 -1.21 -4.92 118.68 119.27 1q8i s LEU 191 Ca 0.31 2.34 0.26 0.00 -1.03 0.00 0.00 54.13 56.01 1q8i s LEU 191 Cb 0.22 -3.92 0.63 0.00 0.03 0.00 0.00 46.19 43.16 1q8i s LEU 191 CO 0.12 -0.54 1.51 -0.67 0.23 0.00 0.00 176.35 177.00 1q8i n ASP 192 N 0.36 2.19 -3.48 2.29 2.03 -1.26 -4.96 116.55 113.73 1q8i n ASP 192 Ca 0.03 -1.72 -0.14 0.00 0.52 0.00 0.00 54.79 53.48 1q8i n ASP 192 Cb 0.46 0.01 -0.05 0.00 -0.72 0.00 0.00 41.12 40.81 1q8i n ASP 192 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1q8i s PHE 193 N -2.01 1.03 -0.10 -0.67 -0.12 -1.26 -5.09 117.98 109.76 1q8i s PHE 193 Ca 0.33 -1.25 -0.25 0.00 -0.05 0.00 0.00 56.93 55.70 1q8i s PHE 193 Cb 0.20 -0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.42 1q8i s PHE 193 CO 0.32 -1.04 0.81 -2.00 -0.05 0.00 0.00 175.22 173.27 1q8i s GLU 194 N -3.36 4.40 -0.21 1.99 2.56 -1.11 -5.01 118.70 117.96 1q8i s GLU 194 Ca 0.31 1.04 0.02 0.00 0.00 0.00 0.00 54.97 56.34 1q8i s GLU 194 Cb 0.01 -3.50 0.04 0.00 2.00 0.00 0.00 34.13 32.67 1q8i s GLU 194 CO 0.18 -0.12 -0.16 -1.17 -0.56 0.00 0.00 175.26 173.43 1q8i s LEU 195 N 1.41 2.63 -0.14 2.70 2.96 -1.26 -1.41 118.68 125.55 1q8i s LEU 195 Ca 0.41 -0.95 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 1q8i s LEU 195 Cb -0.18 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.04 1q8i s LEU 195 CO 0.18 -0.08 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.22 1q8i s GLU 196 N 1.23 3.07 0.10 1.98 2.12 -0.69 -5.01 118.70 121.51 1q8i s GLU 196 Ca -0.01 -0.83 -0.14 0.00 0.36 0.00 0.00 54.97 54.35 1q8i s GLU 196 Cb -0.16 -2.48 -0.06 0.00 0.26 0.00 0.00 34.13 31.68 1q8i s GLU 196 CO -0.10 -0.00 0.51 0.71 -0.54 0.00 0.00 175.26 175.84 1q8i s TYR 197 N 0.80 3.65 0.36 5.30 1.51 -1.26 -1.42 117.35 126.30 1q8i s TYR 197 Ca -0.07 1.04 0.07 0.00 -1.01 0.00 0.00 57.07 57.10 1q8i s TYR 197 Cb -0.16 -2.34 -0.07 0.00 -0.11 0.00 0.00 41.96 39.28 1q8i s TYR 197 CO -0.01 0.50 -0.02 0.14 -1.11 0.00 0.00 175.55 175.05 1q8i s VAL 198 N -1.34 1.90 -0.28 0.71 -7.23 -0.06 -4.88 120.40 109.23 1q8i s VAL 198 Ca 0.33 -2.07 0.22 0.00 -1.81 0.00 0.00 61.98 58.65 1q8i s VAL 198 Cb -0.16 -2.81 0.08 0.00 0.56 0.00 0.00 36.38 34.06 1q8i s VAL 198 CO 0.18 -0.09 1.19 0.00 -0.31 0.00 0.00 175.10 176.07 1q8i h ALA 199 N 1.95 0.65 -2.90 1.32 0.00 -1.95 0.26 119.26 118.59 1q8i h ALA 199 Ca -0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1q8i h ALA 199 Cb 1.24 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 1q8i h ALA 199 CO 0.75 0.09 0.07 -1.54 0.00 0.00 0.00 179.25 178.62 1q8i s SER 200 N -5.66 -0.30 0.19 0.00 1.04 -1.26 -4.76 113.70 102.95 1q8i s SER 200 Ca 0.01 -0.42 -0.13 0.00 0.48 0.00 0.00 55.95 55.90 1q8i s SER 200 Cb 0.08 0.59 0.10 0.00 0.10 0.00 0.00 66.02 66.89 1q8i s SER 200 CO 0.76 -1.06 1.85 0.03 0.98 0.00 0.00 173.24 175.79 1q8i h ARG 201 N 2.16 0.81 -0.88 4.02 3.08 -1.94 -2.26 114.38 119.38 1q8i h ARG 201 Ca -0.29 -0.06 0.14 0.00 0.07 0.00 0.00 59.98 59.85 1q8i h ARG 201 Cb 1.27 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 31.07 1q8i h ARG 201 CO 0.36 0.55 0.57 -1.35 -1.07 0.00 0.00 179.97 179.03 1q8i h PRO 202 N 0.83 0.67 0.00 0.04 0.11 -1.96 -1.23 132.00 130.45 1q8i h PRO 202 Ca 0.22 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 1q8i h PRO 202 Cb -0.08 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.87 1q8i h PRO 202 CO -0.05 0.44 -0.29 1.96 -0.21 0.00 0.00 178.00 179.85 1q8i h GLN 203 N 0.69 0.00 -0.52 1.05 4.20 -1.82 -1.21 115.11 117.50 1q8i h GLN 203 Ca 0.44 0.00 0.06 0.00 0.06 0.00 0.00 58.65 59.20 1q8i h GLN 203 Cb 0.69 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.42 1q8i h GLN 203 CO -0.19 0.29 0.23 -0.07 -0.67 0.00 0.00 178.83 178.42 1q8i h LEU 204 N 0.00 0.29 -0.61 1.46 3.38 -1.00 0.16 115.31 118.99 1q8i h LEU 204 Ca -0.00 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1q8i h LEU 204 Cb 0.52 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1q8i h LEU 204 CO 0.04 0.20 0.31 -0.07 0.09 0.00 0.00 178.44 179.01 1q8i h LEU 205 N 0.44 0.77 -0.28 1.67 4.07 -1.28 0.16 115.31 120.87 1q8i h LEU 205 Ca 0.24 -0.11 0.05 0.00 0.08 0.00 0.00 57.88 58.14 1q8i h LEU 205 Cb 0.21 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 1q8i h LEU 205 CO -0.20 0.67 0.01 -0.33 -1.08 0.00 0.00 178.44 177.51 1q8i h GLU 206 N 0.82 0.10 -0.72 1.13 5.08 -0.88 -0.01 114.58 120.10 1q8i h GLU 206 Ca 0.21 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1q8i h GLU 206 Cb 0.08 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1q8i h GLU 206 CO -0.03 0.07 0.26 0.87 -1.00 0.00 0.00 179.01 179.17 1q8i h LYS 207 N 0.10 1.10 -0.34 2.33 1.79 -0.39 -2.15 116.57 119.01 1q8i h LYS 207 Ca 0.13 -0.22 0.07 0.00 -2.18 0.00 0.00 60.65 58.45 1q8i h LYS 207 Cb 0.17 -0.17 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 1q8i h LYS 207 CO -0.21 0.92 -0.05 1.25 -1.08 0.00 0.00 179.45 180.28 1q8i h LEU 208 N 1.05 -0.26 -0.25 2.94 5.85 0.07 -0.61 115.31 124.10 1q8i h LEU 208 Ca 0.24 0.09 0.04 0.00 0.84 0.00 0.00 57.88 59.09 1q8i h LEU 208 Cb 0.26 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1q8i h LEU 208 CO -0.01 -0.09 0.01 0.78 -0.34 0.00 0.00 178.44 178.79 1q8i h ASN 209 N 0.03 -0.07 -0.63 1.25 2.35 -0.86 0.50 115.58 118.15 1q8i h ASN 209 Ca 0.17 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1q8i h ASN 209 Cb 0.25 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 1q8i h ASN 209 CO -0.33 -0.01 0.36 0.00 -1.65 0.00 0.00 177.43 175.81 1q8i h ALA 210 N 1.21 0.80 -0.15 -0.83 0.00 -1.19 -0.84 119.26 118.25 1q8i h ALA 210 Ca 0.12 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1q8i h ALA 210 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1q8i h ALA 210 CO -0.19 0.30 0.08 2.35 0.00 0.00 0.00 179.25 181.79 1q8i h TRP 211 N 0.85 0.15 -0.89 0.00 7.01 -0.64 0.69 115.95 123.13 1q8i h TRP 211 Ca 0.22 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.26 1q8i h TRP 211 Cb 0.01 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 26.97 1q8i h TRP 211 CO -0.01 0.09 0.58 0.74 -2.79 0.00 0.00 178.44 177.05 1q8i h PHE 212 N 0.18 1.09 -0.51 2.65 -1.00 -0.63 0.10 116.94 118.81 1q8i h PHE 212 Ca 0.06 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.78 1q8i h PHE 212 Cb 0.00 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.18 1q8i h PHE 212 CO -0.08 0.63 -0.05 0.00 -1.61 0.00 0.00 178.31 177.20 1q8i h ALA 213 N 1.37 0.96 0.16 2.45 0.00 -0.59 -0.76 119.26 122.85 1q8i h ALA 213 Ca 0.36 -0.31 -0.30 0.00 0.00 0.00 0.00 54.91 54.66 1q8i h ALA 213 Cb 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 17.79 17.63 1q8i h ALA 213 CO -0.12 0.62 -1.28 -0.91 0.00 0.00 0.00 179.25 177.57 1q8i h ASN 214 N 0.82 0.85 0.20 0.00 2.35 -0.23 -3.38 115.58 116.18 1q8i h ASN 214 Ca 0.14 -0.86 -0.28 0.00 -0.55 0.00 0.00 56.30 54.76 1q8i h ASN 214 Cb 0.55 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.60 1q8i h ASN 214 CO 0.03 1.63 -2.06 -1.22 -1.65 0.00 0.00 177.43 174.16 1q8i n TYR 215 N -3.80 0.35 -3.52 1.19 4.02 0.29 -5.04 117.16 110.65 1q8i n TYR 215 Ca -0.15 0.12 -0.22 0.00 -0.01 0.00 0.00 57.90 57.64 1q8i n TYR 215 Cb 1.01 -0.99 0.03 0.00 -0.02 0.00 0.00 39.34 39.36 1q8i n TYR 215 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1q8i n ASP 216 N -2.77 -5.93 -4.80 7.72 2.03 -0.29 -4.93 116.55 107.57 1q8i n ASP 216 Ca -0.23 -0.78 -0.34 0.00 0.52 0.00 0.00 54.79 53.96 1q8i n ASP 216 Cb 1.02 -3.72 -0.03 0.00 -0.72 0.00 0.00 41.12 37.67 1q8i n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1q8i s PRO 217 N -5.02 3.78 0.11 -0.67 0.04 -1.26 -4.95 135.00 127.03 1q8i s PRO 217 Ca 0.30 1.35 0.08 0.00 0.04 0.00 0.00 61.00 62.77 1q8i s PRO 217 Cb -0.10 -2.09 -0.20 0.00 0.04 0.00 0.00 34.50 32.15 1q8i s PRO 217 CO 0.83 -0.45 1.22 -0.44 0.04 0.00 0.00 177.00 178.20 1q8i h ASP 218 N 1.50 0.00 -3.56 6.66 3.32 -1.26 -3.46 116.42 119.62 1q8i h ASP 218 Ca -0.49 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.15 1q8i h ASP 218 Cb 1.22 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.44 1q8i h ASP 218 CO 0.59 0.97 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.62 1q8i s VAL 219 N -2.71 0.56 -0.26 -1.35 1.01 -0.94 -0.75 120.40 115.96 1q8i s VAL 219 Ca 0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 1q8i s VAL 219 Cb 0.10 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1q8i s VAL 219 CO 0.82 0.22 0.08 -0.63 0.00 0.00 0.00 175.10 175.59 1q8i s ILE 220 N 0.69 4.32 0.24 2.22 1.01 0.11 -0.74 121.20 129.05 1q8i s ILE 220 Ca -0.09 -0.27 0.11 0.00 0.00 0.00 0.00 60.65 60.40 1q8i s ILE 220 Cb -0.12 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 1q8i s ILE 220 CO 0.00 0.27 -0.16 0.27 0.00 0.00 0.00 174.94 175.32 1q8i s ILE 221 N 1.60 2.74 -0.04 2.92 -4.36 -0.08 -0.13 121.20 123.84 1q8i s ILE 221 Ca 0.06 -2.11 -0.25 0.00 -0.26 0.00 0.00 60.65 58.09 1q8i s ILE 221 Cb -0.16 -2.40 0.08 0.00 1.25 0.00 0.00 42.46 41.23 1q8i s ILE 221 CO 0.04 -0.28 1.11 0.61 0.24 0.00 0.00 174.94 176.65 1q8i n GLY 222 N -0.36 0.23 3.12 6.27 0.00 -0.97 -1.64 105.19 111.84 1q8i n GLY 222 Ca -0.08 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 1q8i n GLY 222 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1q8i s TRP 223 N -2.13 3.24 -1.60 1.61 -0.00 -1.26 -0.93 118.94 117.86 1q8i s TRP 223 Ca 0.26 -2.08 0.00 0.00 -0.00 0.00 0.00 56.10 54.29 1q8i s TRP 223 Cb -0.00 -2.01 0.00 0.00 -0.00 0.00 0.00 33.47 31.46 1q8i s TRP 223 CO -0.01 -0.84 0.00 -1.71 -0.00 0.00 0.00 176.95 174.39 1q8i n ASN 224 N 4.53 -4.91 0.02 5.86 2.85 -1.26 -4.86 115.26 117.48 1q8i n ASN 224 Ca -0.14 0.25 0.22 0.00 -0.11 0.00 0.00 54.58 54.80 1q8i n ASN 224 Cb 0.43 -3.91 0.73 0.00 1.24 0.00 0.00 39.78 38.27 1q8i n ASN 224 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 1q8i h VAL 225 N 0.00 0.44 0.00 3.44 3.04 -1.90 -2.25 116.25 119.02 1q8i h VAL 225 Ca -0.35 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1q8i h VAL 225 Cb 1.14 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1q8i h VAL 225 CO 0.48 0.00 -0.40 -0.37 -1.01 0.00 0.00 177.57 176.27 1q8i h VAL 226 N 0.00 0.00 0.00 1.51 -1.51 -1.94 -1.26 116.25 113.05 1q8i h VAL 226 Ca 0.25 -0.99 -0.01 0.00 -1.23 0.00 0.00 66.70 64.72 1q8i h VAL 226 Cb 1.24 0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 30.40 1q8i h VAL 226 CO -0.00 0.00 -0.05 1.56 -1.23 0.00 0.00 177.57 177.84 1q8i h GLN 227 N -0.99 0.00 0.00 5.19 1.08 -1.81 -2.45 115.11 116.12 1q8i h GLN 227 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1q8i h GLN 227 Cb 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1q8i h GLN 227 CO 0.00 0.05 0.00 0.34 -0.95 0.00 0.00 178.83 178.27 1q8i n PHE 228 N -3.55 0.00 0.27 2.96 7.35 -0.85 -4.50 117.46 119.13 1q8i n PHE 228 Ca -0.02 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.50 1q8i n PHE 228 Cb 0.17 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 39.90 1q8i n PHE 228 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1q8i h ASP 229 N 0.00 -1.34 -0.06 -2.13 5.19 -1.64 -0.70 116.42 115.73 1q8i h ASP 229 Ca 0.00 0.11 -0.11 0.00 -0.62 0.00 0.00 57.03 56.41 1q8i h ASP 229 Cb 0.00 0.45 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 1q8i h ASP 229 CO 0.00 -0.63 -0.31 -0.07 -3.12 0.00 0.00 179.24 175.12 1q8i h LEU 230 N -0.94 0.55 0.19 1.55 3.38 -1.32 -1.74 115.31 116.97 1q8i h LEU 230 Ca -0.06 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1q8i h LEU 230 Cb 0.82 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1q8i h LEU 230 CO -0.08 0.82 -0.16 -0.09 0.09 0.00 0.00 178.44 179.02 1q8i h ARG 231 N 0.46 -0.36 -0.32 1.13 2.43 -1.09 -0.51 114.38 116.12 1q8i h ARG 231 Ca 0.06 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1q8i h ARG 231 Cb 0.76 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1q8i h ARG 231 CO 0.06 -0.24 0.17 0.52 -1.51 0.00 0.00 179.97 178.97 1q8i h MET 232 N -0.37 0.44 -0.84 0.20 0.00 -1.09 -1.45 114.93 111.82 1q8i h MET 232 Ca -0.00 -0.05 0.13 0.00 0.00 0.00 0.00 59.70 59.77 1q8i h MET 232 Cb 0.34 -0.09 -0.09 0.00 0.00 0.00 0.00 31.60 31.77 1q8i h MET 232 CO -0.03 0.38 0.45 -0.07 0.00 0.00 0.00 176.91 177.64 1q8i h LEU 233 N 0.39 0.58 -0.59 1.22 3.38 -1.21 -2.32 115.31 116.76 1q8i h LEU 233 Ca 0.11 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1q8i h LEU 233 Cb 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1q8i h LEU 233 CO -0.02 0.28 0.15 -0.61 0.09 0.00 0.00 178.44 178.33 1q8i h GLN 234 N 0.68 0.94 0.00 1.13 5.75 -0.52 -1.81 115.11 121.29 1q8i h GLN 234 Ca 0.44 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.68 1q8i h GLN 234 Cb 0.55 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1q8i h GLN 234 CO -0.32 0.86 -0.19 1.57 -2.65 0.00 0.00 178.83 178.11 1q8i h LYS 235 N 0.85 0.00 -0.04 1.69 2.10 -0.89 -2.57 116.57 117.71 1q8i h LYS 235 Ca 0.19 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.82 1q8i h LYS 235 Cb 0.34 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1q8i h LYS 235 CO 0.00 0.19 -0.05 0.45 -2.00 0.00 0.00 179.45 178.04 1q8i h HIS 236 N 0.00 0.13 -0.64 0.07 3.86 -0.88 -1.97 115.15 115.71 1q8i h HIS 236 Ca -0.00 -0.04 0.10 0.00 -1.16 0.00 0.00 60.37 59.27 1q8i h HIS 236 Cb 0.38 -0.03 -0.08 0.00 1.06 0.00 0.00 27.41 28.75 1q8i h HIS 236 CO 0.00 0.58 0.25 0.00 0.86 0.00 0.00 177.93 179.63 1q8i h ALA 237 N 0.52 0.84 -0.03 2.45 0.00 -1.09 0.16 119.26 122.11 1q8i h ALA 237 Ca 0.01 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1q8i h ALA 237 Cb 0.57 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1q8i h ALA 237 CO 0.01 -0.17 -0.80 0.93 0.00 0.00 0.00 179.25 179.22 1q8i h GLU 238 N 0.44 0.29 -0.56 0.00 5.08 -1.53 0.31 114.58 118.61 1q8i h GLU 238 Ca 0.33 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1q8i h GLU 238 Cb 0.41 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1q8i h GLU 238 CO -0.31 0.95 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.53 1q8i h ARG 239 N 0.18 1.00 -0.11 2.33 2.43 -0.60 -2.69 114.38 116.92 1q8i h ARG 239 Ca -0.04 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1q8i h ARG 239 Cb 1.39 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1q8i h ARG 239 CO 0.13 1.01 0.00 0.66 -1.51 0.00 0.00 179.97 180.26 1q8i n TYR 240 N -4.23 0.13 -2.94 2.20 4.01 0.49 -4.96 117.16 111.86 1q8i n TYR 240 Ca 0.02 -0.06 -0.22 0.00 -0.16 0.00 0.00 57.90 57.48 1q8i n TYR 240 Cb 0.35 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.40 1q8i n TYR 240 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1q8i n ARG 241 N 0.34 -4.21 -4.49 -0.72 1.74 0.43 -5.01 116.66 104.74 1q8i n ARG 241 Ca 0.17 0.88 -0.30 0.00 -0.77 0.00 0.00 57.85 57.84 1q8i n ARG 241 Cb 0.36 -5.70 -0.13 0.00 -1.02 0.00 0.00 32.46 25.97 1q8i n ARG 241 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1q8i s LEU 242 N -6.55 2.51 0.33 0.55 1.43 0.79 -5.00 118.68 112.75 1q8i s LEU 242 Ca 0.26 -0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 52.50 1q8i s LEU 242 Cb -0.12 -1.42 -0.09 0.00 0.03 0.00 0.00 46.19 44.59 1q8i s LEU 242 CO 0.32 0.21 1.17 -2.84 0.23 0.00 0.00 176.35 175.43 1q8i s PRO 243 N -1.84 4.37 -0.71 1.29 0.02 -1.26 -4.34 135.00 132.53 1q8i s PRO 243 Ca 0.15 1.90 -0.12 0.00 0.02 0.00 0.00 61.00 62.96 1q8i s PRO 243 Cb -0.10 -2.97 0.19 0.00 0.02 0.00 0.00 34.50 31.63 1q8i s PRO 243 CO 0.07 -0.06 0.62 -1.17 -0.33 0.00 0.00 177.00 176.13 1q8i s LEU 244 N -1.90 6.27 -1.30 -5.54 2.96 -1.26 -4.98 118.68 112.93 1q8i s LEU 244 Ca 0.50 -2.53 -0.11 0.00 -0.22 0.00 0.00 54.13 51.77 1q8i s LEU 244 Cb -0.33 -2.12 0.15 0.00 0.50 0.00 0.00 46.19 44.39 1q8i s LEU 244 CO 0.43 -0.58 1.87 0.54 -1.32 0.00 0.00 176.35 177.29 1q8i n ARG 245 N 4.14 3.47 0.00 1.98 1.74 -1.26 -1.35 116.66 125.37 1q8i n ARG 245 Ca 0.07 -3.42 0.13 0.00 -0.77 0.00 0.00 57.85 53.85 1q8i n ARG 245 Cb 0.44 -3.01 0.32 0.00 -1.02 0.00 0.00 32.46 29.19 1q8i n ARG 245 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1q8i n LEU 246 N 4.53 1.14 -4.95 0.55 4.77 -1.24 -4.77 117.00 117.04 1q8i n LEU 246 Ca 0.42 -0.32 -0.20 0.00 -0.03 0.00 0.00 56.01 55.88 1q8i n LEU 246 Cb 0.38 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1q8i n LEU 246 CO 0.81 0.22 0.02 -0.83 -1.33 0.00 0.00 177.39 176.27 1q8i s GLY 247 N -2.51 1.62 0.99 -0.72 0.00 -1.02 -4.82 107.32 100.85 1q8i s GLY 247 Ca 0.23 -1.49 -0.13 0.00 0.00 0.00 0.00 44.72 43.32 1q8i s GLY 247 CO 0.53 -1.42 1.13 0.50 0.00 0.00 0.00 173.10 173.84 1q8i s ARG 248 N -4.11 0.50 5.65 2.90 0.52 0.13 -4.48 118.95 120.05 1q8i s ARG 248 Ca 0.43 0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.91 1q8i s ARG 248 Cb -0.09 -1.77 0.00 0.00 0.52 0.00 0.00 34.95 33.62 1q8i s ARG 248 CO 0.30 -2.63 0.00 -3.47 0.02 0.00 0.00 175.30 169.52 1q8i n ASP 249 N -4.06 0.00 0.00 0.23 2.03 -1.26 -3.22 116.55 110.26 1q8i n ASP 249 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1q8i n ASP 249 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1q8i n ASP 249 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1q8i n ASN 250 N 0.43 0.00 -1.21 1.67 2.85 -1.26 -5.00 115.26 112.74 1q8i n ASN 250 Ca 0.00 0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 1q8i n ASN 250 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1q8i n ASN 250 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1q8i n SER 251 N -0.08 0.00 -4.87 1.20 3.41 -1.20 -4.69 113.62 107.40 1q8i n SER 251 Ca 0.00 0.63 -0.31 0.00 -0.26 0.00 0.00 58.87 58.94 1q8i n SER 251 Cb 0.00 -0.95 -0.01 0.00 -0.26 0.00 0.00 64.21 62.99 1q8i n SER 251 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1q8i s GLU 252 N 0.00 3.73 0.70 4.33 2.02 -1.26 -2.45 118.70 125.77 1q8i s GLU 252 Ca 0.00 0.69 -0.13 0.00 0.02 0.00 0.00 54.97 55.55 1q8i s GLU 252 Cb 0.00 -2.19 0.02 0.00 0.10 0.00 0.00 34.13 32.06 1q8i s GLU 252 CO 0.00 -0.33 1.10 -1.17 0.02 0.00 0.00 175.26 174.88 1q8i s LEU 253 N -4.54 3.26 0.17 1.80 2.96 -0.46 -4.65 118.68 117.22 1q8i s LEU 253 Ca 0.55 1.91 0.07 0.00 -0.22 0.00 0.00 54.13 56.44 1q8i s LEU 253 Cb -0.10 -4.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.00 1q8i s LEU 253 CO 0.42 -1.75 -0.14 -1.61 -1.32 0.00 0.00 176.35 171.94 1q8i s GLU 254 N -4.42 1.21 0.02 1.98 0.41 -0.41 -5.00 118.70 112.50 1q8i s GLU 254 Ca 0.64 -1.47 -0.01 0.00 -0.41 0.00 0.00 54.97 53.72 1q8i s GLU 254 Cb -0.19 -1.02 -0.02 0.00 -1.78 0.00 0.00 34.13 31.12 1q8i s GLU 254 CO 0.47 0.18 -0.00 -1.58 -0.49 0.00 0.00 175.26 173.83 1q8i s TRP 255 N -2.73 0.26 -0.13 1.61 0.52 -1.26 -0.98 118.94 116.23 1q8i s TRP 255 Ca 0.18 -0.53 -0.30 0.00 0.02 0.00 0.00 56.10 55.47 1q8i s TRP 255 Cb -0.02 -0.19 0.09 0.00 -1.15 0.00 0.00 33.47 32.21 1q8i s TRP 255 CO 0.05 -0.23 0.82 1.03 0.02 0.00 0.00 176.95 178.64 1q8i s ARG 256 N -1.75 0.83 0.20 4.98 0.52 -0.87 -5.00 118.95 117.86 1q8i s ARG 256 Ca -0.13 0.31 0.06 0.00 -0.52 0.00 0.00 55.73 55.45 1q8i s ARG 256 Cb -0.07 0.40 -0.04 0.00 0.52 0.00 0.00 34.95 35.75 1q8i s ARG 256 CO -0.02 -0.24 0.17 -2.00 0.02 0.00 0.00 175.30 173.24 1q8i s GLU 257 N -0.91 2.95 0.07 3.54 2.12 -1.26 -0.48 118.70 124.73 1q8i s GLU 257 Ca -0.06 -0.93 -0.06 0.00 0.36 0.00 0.00 54.97 54.29 1q8i s GLU 257 Cb -0.01 -2.63 -0.02 0.00 0.26 0.00 0.00 34.13 31.73 1q8i s GLU 257 CO 0.05 0.45 0.11 -1.01 -0.54 0.00 0.00 175.26 174.32 1q8i s HIS 258 N -1.91 0.28 0.00 5.30 3.76 -1.17 -4.97 115.29 116.58 1q8i s HIS 258 Ca 0.32 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 1q8i s HIS 258 Cb -0.09 -0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.42 1q8i s HIS 258 CO 0.24 -0.47 0.00 0.41 -0.85 0.00 0.00 174.74 174.07 1q8i n GLY 259 N 0.06 3.40 0.00 -2.22 0.00 -1.26 -2.89 105.19 102.28 1q8i n GLY 259 Ca -0.15 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1q8i n GLY 259 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1q8i n PHE 260 N 0.49 0.00 -0.29 1.61 7.35 -1.26 -4.21 117.46 121.15 1q8i n PHE 260 Ca 0.00 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.79 1q8i n PHE 260 Cb 0.00 0.00 0.33 0.00 0.35 0.00 0.00 39.48 40.16 1q8i n PHE 260 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1q8i h LYS 261 N 0.00 0.78 -3.93 -4.13 3.11 -2.08 -3.39 116.57 106.93 1q8i h LYS 261 Ca 0.00 -0.05 -0.55 0.00 -2.81 0.00 0.00 60.65 57.24 1q8i h LYS 261 Cb 0.00 -0.18 -0.39 0.00 -1.00 0.00 0.00 32.23 30.67 1q8i h LYS 261 CO 0.00 0.52 -0.78 -0.80 -2.81 0.00 0.00 179.45 175.58 1q8i s ASN 262 N -5.81 3.10 -0.18 4.20 -0.87 -1.26 -5.13 114.94 108.99 1q8i s ASN 262 Ca -0.11 -0.85 -0.08 0.00 -1.57 0.00 0.00 52.86 50.26 1q8i s ASN 262 Cb 0.22 -0.83 -0.04 0.00 -0.02 0.00 0.00 41.25 40.57 1q8i s ASN 262 CO 0.79 -0.25 0.08 -0.83 -2.57 0.00 0.00 177.10 174.32 1q8i s GLY 263 N 1.68 1.95 0.13 0.66 0.00 -1.26 -4.54 107.32 105.93 1q8i s GLY 263 Ca -0.02 -0.73 0.05 0.00 0.00 0.00 0.00 44.72 44.02 1q8i s GLY 263 CO -0.07 0.03 -0.11 -1.34 0.00 0.00 0.00 173.10 171.61 1q8i s VAL 264 N 0.26 1.15 0.30 1.40 -7.23 -1.14 -4.96 120.40 110.18 1q8i s VAL 264 Ca 0.05 -1.93 -0.16 0.00 -1.81 0.00 0.00 61.98 58.13 1q8i s VAL 264 Cb -0.12 -1.70 -0.09 0.00 0.56 0.00 0.00 36.38 35.03 1q8i s VAL 264 CO -0.00 -0.66 0.73 -0.36 -0.31 0.00 0.00 175.10 174.50 1q8i s PHE 265 N -2.97 3.42 -0.06 2.82 0.40 -1.26 -3.06 117.98 117.27 1q8i s PHE 265 Ca 0.13 1.25 0.03 0.00 -0.60 0.00 0.00 56.93 57.75 1q8i s PHE 265 Cb 0.00 -2.55 0.00 0.00 0.51 0.00 0.00 43.02 40.99 1q8i s PHE 265 CO 0.01 0.14 -0.16 -0.06 0.70 0.00 0.00 175.22 175.85 1q8i s PHE 266 N -1.90 1.76 0.09 0.36 0.40 0.36 -4.68 117.98 114.38 1q8i s PHE 266 Ca 0.52 -0.61 -0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1q8i s PHE 266 Cb -0.11 -1.22 -0.04 0.00 0.51 0.00 0.00 43.02 42.15 1q8i s PHE 266 CO 0.18 -0.26 0.26 0.00 0.70 0.00 0.00 175.22 176.10 1q8i s ALA 267 N 0.37 3.96 -0.01 5.36 0.00 -1.26 -2.06 121.76 128.12 1q8i s ALA 267 Ca -0.11 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 1q8i s ALA 267 Cb -0.15 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.10 1q8i s ALA 267 CO 0.04 0.74 0.03 -0.65 0.00 0.00 0.00 175.76 175.92 1q8i s GLN 268 N -2.68 0.02 -0.16 0.00 -1.52 -0.15 -4.92 119.66 110.24 1q8i s GLN 268 Ca 0.36 0.05 0.00 0.00 -1.95 0.00 0.00 55.36 53.82 1q8i s GLN 268 Cb -0.12 -0.01 0.03 0.00 -0.22 0.00 0.00 33.01 32.69 1q8i s GLN 268 CO 0.28 -0.02 -0.09 0.00 -0.25 0.00 0.00 175.29 175.20 1q8i s ALA 269 N 0.13 1.72 -0.24 6.09 0.00 -1.26 -1.29 121.76 126.90 1q8i s ALA 269 Ca -0.01 -0.92 -0.40 0.00 0.00 0.00 0.00 51.96 50.63 1q8i s ALA 269 Cb -0.01 -1.12 -0.16 0.00 0.00 0.00 0.00 23.12 21.82 1q8i s ALA 269 CO -0.00 -0.63 1.67 1.63 0.00 0.00 0.00 175.76 178.43 1q8i n LYS 270 N 4.80 1.05 -1.09 0.00 5.02 -1.26 -1.30 118.16 125.39 1q8i n LYS 270 Ca -0.14 0.39 -0.03 0.00 -2.02 0.00 0.00 58.31 56.50 1q8i n LYS 270 Cb 0.48 -2.05 -0.01 0.00 -0.02 0.00 0.00 35.03 33.43 1q8i n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q8i n GLY 271 N 3.93 0.60 3.05 0.72 0.00 -1.26 0.19 105.19 112.42 1q8i n GLY 271 Ca 0.26 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1q8i n GLY 271 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q8i s ARG 272 N -1.54 0.51 0.05 1.61 0.52 -0.42 -4.84 118.95 114.85 1q8i s ARG 272 Ca 0.00 -0.78 -0.05 0.00 -0.52 0.00 0.00 55.73 54.38 1q8i s ARG 272 Cb 0.00 -0.19 -0.05 0.00 0.52 0.00 0.00 34.95 35.23 1q8i s ARG 272 CO 0.00 0.02 0.29 -0.51 0.02 0.00 0.00 175.30 175.12 1q8i s LEU 273 N -1.69 4.34 -0.27 2.53 1.43 0.07 -4.48 118.68 120.62 1q8i s LEU 273 Ca -0.09 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1q8i s LEU 273 Cb -0.09 -2.90 0.05 0.00 0.03 0.00 0.00 46.19 43.29 1q8i s LEU 273 CO -0.00 0.18 -0.06 -0.63 0.23 0.00 0.00 176.35 176.07 1q8i s ILE 274 N -1.43 2.61 -0.20 -0.59 1.01 -1.26 0.04 121.20 121.37 1q8i s ILE 274 Ca 0.32 -1.44 -0.01 0.00 0.00 0.00 0.00 60.65 59.52 1q8i s ILE 274 Cb -0.13 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 39.87 1q8i s ILE 274 CO 0.20 -0.02 -0.12 -0.63 0.00 0.00 0.00 174.94 174.37 1q8i s ILE 275 N 1.20 2.69 -0.24 2.92 -1.09 0.81 -4.84 121.20 122.65 1q8i s ILE 275 Ca -0.06 -0.76 -0.21 0.00 -2.23 0.00 0.00 60.65 57.39 1q8i s ILE 275 Cb -0.19 -2.20 -0.02 0.00 -1.58 0.00 0.00 42.46 38.46 1q8i s ILE 275 CO -0.03 0.45 0.66 -0.62 -1.23 0.00 0.00 174.94 174.17 1q8i s ASP 276 N 1.37 6.63 0.54 3.58 2.15 -1.26 -2.29 116.67 127.39 1q8i s ASP 276 Ca 0.05 0.77 0.29 0.00 0.43 0.00 0.00 52.55 54.09 1q8i s ASP 276 Cb -0.14 -2.35 1.45 0.00 -0.30 0.00 0.00 42.92 41.58 1q8i s ASP 276 CO -0.08 -0.38 1.93 1.23 -0.17 0.00 0.00 175.17 177.70 1q8i h GLY 277 N 8.85 0.00 0.09 2.66 0.00 -1.43 -2.11 103.07 111.14 1q8i h GLY 277 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1q8i h GLY 277 CO 0.79 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 175.06 1q8i h ILE 278 N 0.00 0.00 -0.76 2.60 1.08 -1.92 0.86 117.51 119.37 1q8i h ILE 278 Ca 0.35 -0.04 0.11 0.00 -0.39 0.00 0.00 64.86 64.90 1q8i h ILE 278 Cb 1.43 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.05 1q8i h ILE 278 CO -0.00 0.00 -0.42 -0.33 -0.69 0.00 0.00 178.15 176.70 1q8i h GLU 279 N -0.16 -0.12 0.15 2.37 5.08 -1.96 0.35 114.58 120.29 1q8i h GLU 279 Ca -0.01 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1q8i h GLU 279 Cb 0.10 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1q8i h GLU 279 CO 0.02 -0.08 -0.47 0.00 -1.00 0.00 0.00 179.01 177.48 1q8i h ALA 280 N 0.90 -0.88 0.00 3.43 0.00 -1.43 0.25 119.26 121.53 1q8i h ALA 280 Ca 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1q8i h ALA 280 Cb 0.55 0.78 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1q8i h ALA 280 CO -0.81 -1.06 -0.08 -0.07 0.00 0.00 0.00 179.25 177.23 1q8i h LEU 281 N -0.73 0.00 0.00 0.00 3.38 -0.36 -0.14 115.31 117.47 1q8i h LEU 281 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1q8i h LEU 281 Cb 0.73 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1q8i h LEU 281 CO -0.25 0.08 -0.31 0.11 0.09 0.00 0.00 178.44 178.17 1q8i h LYS 282 N 0.00 0.00 0.00 1.13 1.57 -0.40 -2.19 116.57 116.68 1q8i h LYS 282 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1q8i h LYS 282 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1q8i h LYS 282 CO 0.01 0.08 -0.25 -1.13 -0.57 0.00 0.00 179.45 177.58 1q8i n SER 283 N -3.03 0.73 0.00 0.86 3.41 0.82 -2.36 113.62 114.06 1q8i n SER 283 Ca 0.03 0.38 0.11 0.00 -0.26 0.00 0.00 58.87 59.12 1q8i n SER 283 Cb 0.57 -0.39 -0.12 0.00 -0.26 0.00 0.00 64.21 64.01 1q8i n SER 283 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q8i n ALA 284 N -1.78 3.25 0.00 7.33 0.00 -0.88 -5.07 120.51 123.35 1q8i n ALA 284 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1q8i n ALA 284 Cb 0.43 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1q8i n ALA 284 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1q8i n PHE 285 N -2.10 0.00 -1.36 0.00 3.01 -0.82 -5.10 117.46 111.08 1q8i n PHE 285 Ca -0.01 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.47 1q8i n PHE 285 Cb 0.50 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.96 1q8i n PHE 285 CO 0.00 0.00 0.00 -2.67 1.01 0.00 0.00 176.76 175.10 1q8i n TRP 286 N 0.80 -3.71 0.00 1.38 2.14 -1.26 -4.75 117.44 112.04 1q8i n TRP 286 Ca 0.00 2.02 0.00 0.00 2.07 0.00 0.00 57.50 61.59 1q8i n TRP 286 Cb 0.00 -3.21 0.00 0.00 -0.81 0.00 0.00 31.31 27.29 1q8i n TRP 286 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 1q8i n ASN 287 N -2.75 0.00 -1.24 -0.67 2.85 -1.26 -4.84 115.26 107.35 1q8i n ASN 287 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1q8i n ASN 287 Cb 0.46 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.48 1q8i n ASN 287 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 1q8i n PHE 288 N 1.54 -0.57 0.00 1.20 1.16 -1.26 -4.92 117.46 114.61 1q8i n PHE 288 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1q8i n PHE 288 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1q8i n PHE 288 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1q8i n SER 289 N -1.00 0.00 0.07 5.98 7.64 -1.26 -4.64 113.62 120.41 1q8i n SER 289 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1q8i n SER 289 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1q8i n SER 289 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1q8i n SER 290 N 3.85 -0.37 0.00 6.43 3.41 -1.26 -5.03 113.62 120.65 1q8i n SER 290 Ca 0.00 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1q8i n SER 290 Cb 0.00 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1q8i n SER 290 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1q8i n PHE 291 N -2.91 0.00 -1.68 7.33 1.16 -1.26 -5.12 117.46 114.98 1q8i n PHE 291 Ca 0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 57.45 55.14 1q8i n PHE 291 Cb 0.00 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 37.84 1q8i n PHE 291 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1q8i n SER 292 N 0.00 2.97 -0.22 5.98 7.64 -1.26 -4.73 113.62 123.99 1q8i n SER 292 Ca 0.00 1.14 -0.04 0.00 1.01 0.00 0.00 58.87 60.98 1q8i n SER 292 Cb 0.00 -1.45 0.07 0.00 -1.01 0.00 0.00 64.21 61.82 1q8i n SER 292 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1q8i h LEU 293 N 4.49 0.62 -0.72 -3.43 7.12 -2.00 1.29 115.31 122.69 1q8i h LEU 293 Ca -0.45 0.01 -0.09 0.00 0.13 0.00 0.00 57.88 57.48 1q8i h LEU 293 Cb 1.27 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 41.25 1q8i h LEU 293 CO 0.78 0.43 0.03 -0.08 -0.13 0.00 0.00 178.44 179.46 1q8i h GLU 294 N 0.75 1.01 -0.26 1.25 4.81 -1.98 0.58 114.58 120.74 1q8i h GLU 294 Ca 0.27 -0.30 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1q8i h GLU 294 Cb 0.06 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1q8i h GLU 294 CO -0.12 0.98 -0.12 1.15 -0.73 0.00 0.00 179.01 180.17 1q8i h THR 295 N 0.93 1.30 -0.03 0.32 2.02 -1.58 -2.53 112.91 113.34 1q8i h THR 295 Ca 0.17 -1.19 -0.11 0.00 0.77 0.00 0.00 66.41 66.05 1q8i h THR 295 Cb 0.51 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1q8i h THR 295 CO 0.02 0.37 -0.49 0.58 0.37 0.00 0.00 175.52 176.37 1q8i h VAL 296 N 0.27 1.35 0.82 3.16 2.07 0.18 -3.30 116.25 120.80 1q8i h VAL 296 Ca 0.06 -1.71 -0.04 0.00 0.82 0.00 0.00 66.70 65.83 1q8i h VAL 296 Cb 0.62 1.89 0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1q8i h VAL 296 CO 0.04 0.49 -0.39 0.00 0.02 0.00 0.00 177.57 177.73 1q8i h ALA 297 N 1.44 -1.10 0.00 1.67 0.00 0.36 -3.31 119.26 118.32 1q8i h ALA 297 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1q8i h ALA 297 Cb 0.90 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1q8i h ALA 297 CO 0.07 -1.03 -0.14 0.37 0.00 0.00 0.00 179.25 178.52 1q8i h GLN 298 N -1.29 0.00 -6.85 0.00 4.15 -1.55 -2.19 115.11 107.39 1q8i h GLN 298 Ca -0.11 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.81 1q8i h GLN 298 Cb 0.85 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.54 1q8i h GLN 298 CO 0.19 0.14 0.13 -1.21 -1.93 0.00 0.00 178.83 176.14 1q8i s GLU 299 N -4.33 3.81 0.00 1.69 2.02 -1.24 -4.19 118.70 116.45 1q8i s GLU 299 Ca -0.03 0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.48 1q8i s GLU 299 Cb 0.14 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1q8i s GLU 299 CO 0.62 -0.02 0.00 1.28 0.02 0.00 0.00 175.26 177.15 1q8i n LEU 300 N -1.19 0.00 0.00 1.80 4.77 -1.26 -4.83 117.00 116.29 1q8i n LEU 300 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1q8i n LEU 300 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1q8i n LEU 300 CO 0.47 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.71 1q8i n LEU 301 N 0.00 0.24 0.00 2.23 4.77 -0.82 -5.14 117.00 118.28 1q8i n LEU 301 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1q8i n LEU 301 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1q8i n LEU 301 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.39 176.29 1q8i n MET 314 N -0.96 0.00 0.00 3.23 2.81 -1.26 -4.67 117.12 116.28 1q8i n MET 314 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1q8i n MET 314 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1q8i n MET 314 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1q8i n ASP 315 N 0.00 0.00 0.17 7.83 8.00 -1.26 0.07 116.55 131.36 1q8i n ASP 315 Ca 0.00 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.53 1q8i n ASP 315 Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.39 1q8i n ASP 315 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1q8i h GLU 316 N 0.00 0.00 -0.07 -1.24 4.39 -2.04 -3.12 114.58 112.49 1q8i h GLU 316 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1q8i h GLU 316 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1q8i h GLU 316 CO 0.00 0.46 -0.12 0.82 -1.16 0.00 0.00 179.01 179.01 1q8i h ILE 317 N 0.00 1.40 -0.82 3.13 2.04 -0.79 -1.31 117.51 121.16 1q8i h ILE 317 Ca -0.00 -1.37 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 1q8i h ILE 317 Cb 0.92 2.14 -0.04 0.00 -0.74 0.00 0.00 36.82 39.10 1q8i h ILE 317 CO 0.06 0.38 0.36 0.44 0.00 0.00 0.00 178.15 179.39 1q8i h ASP 318 N -0.26 1.11 0.03 1.72 3.32 -1.79 0.05 116.42 120.60 1q8i h ASP 318 Ca 0.01 -0.16 -0.18 0.00 0.02 0.00 0.00 57.03 56.72 1q8i h ASP 318 Cb 0.68 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1q8i h ASP 318 CO 0.03 0.96 -0.64 0.08 -1.72 0.00 0.00 179.24 177.95 1q8i h ARG 319 N 1.19 0.58 -0.36 3.56 0.11 -1.57 0.59 114.38 118.49 1q8i h ARG 319 Ca 0.28 -0.41 -0.05 0.00 0.10 0.00 0.00 59.98 59.89 1q8i h ARG 319 Cb 0.18 0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.31 1q8i h ARG 319 CO -0.03 1.03 0.02 0.00 0.10 0.00 0.00 179.97 181.09 1q8i h ARG 320 N 0.43 0.62 -0.81 0.08 3.08 -0.84 -0.42 114.38 116.52 1q8i h ARG 320 Ca -0.01 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 1q8i h ARG 320 Cb 1.21 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.16 1q8i h ARG 320 CO 0.12 0.72 0.48 0.35 -1.07 0.00 0.00 179.97 180.57 1q8i h PHE 321 N 0.44 1.07 -0.13 3.04 3.57 -0.92 0.74 116.94 124.75 1q8i h PHE 321 Ca 0.10 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1q8i h PHE 321 Cb 0.43 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1q8i h PHE 321 CO 0.03 0.72 -0.18 0.00 -2.23 0.00 0.00 178.31 176.64 1q8i h ALA 322 N 1.41 1.46 0.00 2.41 0.00 0.03 -3.38 119.26 121.18 1q8i h ALA 322 Ca 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1q8i h ALA 322 Cb -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1q8i h ALA 322 CO -0.05 0.38 -0.07 0.39 0.00 0.00 0.00 179.25 179.90 1q8i n GLU 323 N -4.23 2.92 -3.03 0.00 1.02 -0.25 -4.99 120.64 112.07 1q8i n GLU 323 Ca -0.01 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.97 1q8i n GLU 323 Cb 0.30 -0.31 -0.00 0.00 -0.02 0.00 0.00 31.44 31.41 1q8i n GLU 323 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1q8i n ASP 324 N -0.19 -0.53 -0.28 1.62 -0.08 0.25 -3.70 116.55 113.64 1q8i n ASP 324 Ca 0.00 -3.15 0.13 0.00 -1.51 0.00 0.00 54.79 50.26 1q8i n ASP 324 Cb 0.00 0.29 0.38 0.00 2.34 0.00 0.00 41.12 44.13 1q8i n ASP 324 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1q8i h LYS 325 N 3.34 0.65 -0.76 -0.67 1.57 -1.62 0.23 116.57 119.31 1q8i h LYS 325 Ca 0.02 -0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.87 1q8i h LYS 325 Cb 0.99 -0.15 -0.08 0.00 0.08 0.00 0.00 32.23 33.07 1q8i h LYS 325 CO 0.38 0.43 0.37 -1.35 -0.57 0.00 0.00 179.45 178.72 1q8i h PRO 326 N 0.67 0.57 -0.68 3.15 0.11 -1.88 -0.14 132.00 133.80 1q8i h PRO 326 Ca 0.47 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.49 1q8i h PRO 326 Cb 0.80 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.75 1q8i h PRO 326 CO -0.23 0.38 0.19 0.00 -0.21 0.00 0.00 178.00 178.13 1q8i h ALA 327 N 1.49 1.04 -0.45 -0.75 0.00 -1.30 0.82 119.26 120.10 1q8i h ALA 327 Ca 0.39 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1q8i h ALA 327 Cb 0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1q8i h ALA 327 CO -0.32 0.64 0.13 1.25 0.00 0.00 0.00 179.25 180.95 1q8i h LEU 328 N 1.02 0.67 -0.90 0.00 5.85 -1.17 -0.56 115.31 120.22 1q8i h LEU 328 Ca 0.22 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1q8i h LEU 328 Cb 0.33 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1q8i h LEU 328 CO -0.00 0.71 0.55 0.00 -0.34 0.00 0.00 178.44 179.36 1q8i h ALA 329 N 0.98 1.15 -0.22 1.25 0.00 -0.67 0.20 119.26 121.94 1q8i h ALA 329 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1q8i h ALA 329 Cb 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1q8i h ALA 329 CO -0.00 0.60 0.10 1.15 0.00 0.00 0.00 179.25 181.10 1q8i h THR 330 N 1.24 1.15 -0.48 0.00 2.02 -0.33 -1.53 112.91 114.98 1q8i h THR 330 Ca 0.32 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1q8i h THR 330 Cb -0.06 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1q8i h THR 330 CO -0.06 0.15 0.31 0.22 0.37 0.00 0.00 175.52 176.51 1q8i h TYR 331 N 0.22 0.61 -0.37 3.16 3.20 -0.61 -1.43 116.97 121.75 1q8i h TYR 331 Ca 0.08 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.98 1q8i h TYR 331 Cb 0.15 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 1q8i h TYR 331 CO -0.02 0.39 0.20 -0.97 -1.64 0.00 0.00 178.16 176.12 1q8i h ASN 332 N 0.65 0.31 0.27 -2.11 -0.00 -0.46 -1.25 115.58 112.99 1q8i h ASN 332 Ca 0.18 0.01 -0.10 0.00 -0.00 0.00 0.00 56.30 56.38 1q8i h ASN 332 Cb -0.07 -0.05 -0.01 0.00 -0.00 0.00 0.00 38.32 38.19 1q8i h ASN 332 CO -0.04 0.22 -0.41 0.25 -0.00 0.00 0.00 177.43 177.45 1q8i h LEU 333 N 0.41 0.20 -0.82 0.34 5.85 -1.07 -2.03 115.31 118.19 1q8i h LEU 333 Ca 0.15 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1q8i h LEU 333 Cb 0.04 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1q8i h LEU 333 CO -0.09 0.59 0.23 0.11 -0.34 0.00 0.00 178.44 178.94 1q8i h LYS 334 N 0.16 1.11 -0.18 1.25 1.57 -0.54 -0.25 116.57 119.68 1q8i h LYS 334 Ca 0.01 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1q8i h LYS 334 Cb 0.80 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1q8i h LYS 334 CO 0.06 0.94 -0.01 -0.44 -0.57 0.00 0.00 179.45 179.43 1q8i h ASP 335 N 1.07 0.24 -0.19 0.86 5.19 -0.53 -2.40 116.42 120.66 1q8i h ASP 335 Ca 0.23 -0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.58 1q8i h ASP 335 Cb 0.29 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 1q8i h ASP 335 CO -0.01 0.31 -0.02 0.00 -3.12 0.00 0.00 179.24 176.40 1q8i h GLU 337 N 0.08 0.21 -0.73 0.00 5.08 -1.18 -2.62 114.58 115.42 1q8i h GLU 337 Ca 0.05 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1q8i h GLU 337 Cb 0.42 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1q8i h GLU 337 CO 0.01 0.66 0.27 -0.07 -1.00 0.00 0.00 179.01 178.89 1q8i h LEU 338 N 0.17 1.02 -0.35 1.33 3.38 -1.40 0.64 115.31 120.09 1q8i h LEU 338 Ca 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1q8i h LEU 338 Cb 0.94 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1q8i h LEU 338 CO 0.08 0.93 0.17 0.58 0.09 0.00 0.00 178.44 180.28 1q8i h VAL 339 N 1.06 1.17 -0.14 1.22 2.07 -1.27 -0.70 116.25 119.65 1q8i h VAL 339 Ca 0.24 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1q8i h VAL 339 Cb 0.24 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1q8i h VAL 339 CO -0.02 0.18 0.09 0.74 0.02 0.00 0.00 177.57 178.58 1q8i h THR 340 N 0.43 1.04 -0.84 2.57 2.02 -1.27 -1.45 112.91 115.42 1q8i h THR 340 Ca 0.12 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.23 1q8i h THR 340 Cb 0.13 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1q8i h THR 340 CO -0.01 0.04 0.56 1.56 0.37 0.00 0.00 175.52 178.03 1q8i h GLN 341 N 0.19 1.10 -0.32 6.66 4.20 -0.69 -1.44 115.11 124.81 1q8i h GLN 341 Ca 0.05 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1q8i h GLN 341 Cb -0.01 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 1q8i h GLN 341 CO -0.01 0.73 0.12 0.82 -0.67 0.00 0.00 178.83 179.82 1q8i h ILE 342 N 1.14 1.19 -0.54 2.54 2.04 -0.62 -1.37 117.51 121.88 1q8i h ILE 342 Ca 0.31 -0.60 0.05 0.00 1.00 0.00 0.00 64.86 65.63 1q8i h ILE 342 Cb -0.13 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1q8i h ILE 342 CO -0.07 0.21 0.27 -0.26 0.00 0.00 0.00 178.15 178.29 1q8i h PHE 343 N 0.37 0.49 -0.31 1.37 -1.00 -0.58 0.13 116.94 117.40 1q8i h PHE 343 Ca 0.11 0.02 -0.15 0.00 2.81 0.00 0.00 57.97 60.76 1q8i h PHE 343 Cb 0.21 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 1q8i h PHE 343 CO -0.00 0.23 -0.39 0.45 -1.61 0.00 0.00 178.31 176.98 1q8i h HIS 344 N 0.51 0.89 -0.17 -0.55 3.86 -1.23 -0.90 115.15 117.56 1q8i h HIS 344 Ca 0.24 -0.26 -0.17 0.00 -1.16 0.00 0.00 60.37 59.02 1q8i h HIS 344 Cb 0.17 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 1q8i h HIS 344 CO -0.11 1.02 -0.61 -0.22 0.86 0.00 0.00 177.93 178.87 1q8i h LYS 345 N 0.61 0.56 0.00 2.45 3.11 -0.83 -3.16 116.57 119.31 1q8i h LYS 345 Ca 0.05 -0.38 0.00 0.00 -2.81 0.00 0.00 60.65 57.51 1q8i h LYS 345 Cb 0.94 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.22 1q8i h LYS 345 CO 0.09 1.00 -0.40 2.41 -2.81 0.00 0.00 179.45 179.74 1q8i n THR 346 N -3.93 0.20 -3.64 1.00 -1.04 0.41 -4.94 114.28 102.34 1q8i n THR 346 Ca -0.04 -0.14 -0.27 0.00 -2.04 0.00 0.00 64.05 61.56 1q8i n THR 346 Cb 0.64 -0.12 0.02 0.00 -1.82 0.00 0.00 70.33 69.05 1q8i n THR 346 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1q8i n GLU 347 N -1.82 -4.89 0.10 -2.82 1.02 -0.35 -4.89 120.64 106.99 1q8i n GLU 347 Ca 0.05 0.61 -0.03 0.00 -0.02 0.00 0.00 57.16 57.77 1q8i n GLU 347 Cb 0.39 -5.45 0.16 0.00 -0.02 0.00 0.00 31.44 26.51 1q8i n GLU 347 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1q8i h ILE 348 N -1.70 1.39 0.25 -3.67 6.09 -1.86 -2.97 117.51 115.03 1q8i h ILE 348 Ca -0.53 -1.92 -0.01 0.00 -1.37 0.00 0.00 64.86 61.03 1q8i h ILE 348 Cb 1.35 1.98 0.00 0.00 0.47 0.00 0.00 36.82 40.62 1q8i h ILE 348 CO 0.62 0.56 -0.12 0.24 -3.07 0.00 0.00 178.15 176.39 1q8i h MET 349 N 0.13 -0.32 -0.85 2.19 2.86 -1.90 -1.16 114.93 115.87 1q8i h MET 349 Ca -0.00 0.02 0.20 0.00 -2.06 0.00 0.00 59.70 57.86 1q8i h MET 349 Cb 1.04 0.07 -0.12 0.00 0.06 0.00 0.00 31.60 32.66 1q8i h MET 349 CO 0.08 0.01 0.34 -1.35 1.06 0.00 0.00 176.91 177.05 1q8i h PRO 350 N -0.68 0.37 -0.39 -0.22 0.11 -1.95 -0.28 132.00 128.96 1q8i h PRO 350 Ca -0.03 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1q8i h PRO 350 Cb 0.47 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1q8i h PRO 350 CO 0.06 0.25 0.10 0.35 -0.21 0.00 0.00 178.00 178.55 1q8i h PHE 351 N 0.38 0.65 -0.80 0.65 3.04 -1.31 -0.77 116.94 118.78 1q8i h PHE 351 Ca 0.52 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.39 1q8i h PHE 351 Cb 0.94 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.23 1q8i h PHE 351 CO -0.17 0.62 0.47 -0.07 -2.02 0.00 0.00 178.31 177.14 1q8i h LEU 352 N 0.48 0.97 -0.39 0.59 3.38 -0.41 0.04 115.31 119.97 1q8i h LEU 352 Ca 0.12 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1q8i h LEU 352 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1q8i h LEU 352 CO -0.00 0.76 -0.11 -0.07 0.09 0.00 0.00 178.44 179.11 1q8i h LEU 353 N 1.09 0.78 -0.42 1.67 3.38 -1.01 -1.74 115.31 119.07 1q8i h LEU 353 Ca 0.28 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1q8i h LEU 353 Cb -0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1q8i h LEU 353 CO -0.05 0.97 0.03 -0.33 0.09 0.00 0.00 178.44 179.15 1q8i h GLU 354 N 0.57 0.71 -0.50 1.13 4.39 -0.86 -1.91 114.58 118.12 1q8i h GLU 354 Ca 0.10 -0.21 0.05 0.00 0.34 0.00 0.00 59.36 59.64 1q8i h GLU 354 Cb 0.64 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.17 1q8i h GLU 354 CO 0.04 0.78 0.23 -0.09 -1.16 0.00 0.00 179.01 178.81 1q8i h ARG 355 N 0.56 0.43 -0.47 2.33 2.43 -0.86 -1.37 114.38 117.42 1q8i h ARG 355 Ca 0.12 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1q8i h ARG 355 Cb 0.44 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1q8i h ARG 355 CO 0.02 0.28 0.16 0.00 -1.51 0.00 0.00 179.97 178.92 1q8i h ALA 356 N 1.29 1.41 -0.36 2.80 0.00 -1.17 0.29 119.26 123.52 1q8i h ALA 356 Ca 0.23 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1q8i h ALA 356 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1q8i h ALA 356 CO -0.18 0.44 0.07 1.15 0.00 0.00 0.00 179.25 180.72 1q8i h THR 357 N 0.67 1.18 0.17 0.00 2.02 -0.65 -2.20 112.91 114.09 1q8i h THR 357 Ca 0.16 -0.65 -0.32 0.00 0.77 0.00 0.00 66.41 66.36 1q8i h THR 357 Cb 0.17 0.83 0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1q8i h THR 357 CO -0.01 0.23 -1.61 0.58 0.37 0.00 0.00 175.52 175.08 1q8i h VAL 358 N 0.53 0.99 -0.00 3.16 2.07 -0.13 -3.41 116.25 119.45 1q8i h VAL 358 Ca 0.12 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.16 1q8i h VAL 358 Cb 0.24 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1q8i h VAL 358 CO 0.00 0.81 -0.77 -0.46 0.02 0.00 0.00 177.57 177.17 1q8i n ASN 359 N -3.72 0.86 -0.17 0.57 0.23 0.89 -4.97 115.26 108.95 1q8i n ASN 359 Ca -0.24 -0.74 -0.02 0.00 -0.53 0.00 0.00 54.58 53.04 1q8i n ASN 359 Cb 1.02 0.68 -0.01 0.00 -2.08 0.00 0.00 39.78 39.38 1q8i n ASN 359 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1q8i n GLY 360 N 1.49 0.45 3.97 4.83 0.00 -0.83 -4.65 105.19 110.45 1q8i n GLY 360 Ca 0.05 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1q8i n GLY 360 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q8i s LEU 361 N -0.52 4.10 0.76 0.99 1.43 -1.26 -4.91 118.68 119.27 1q8i s LEU 361 Ca 0.00 0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 53.02 1q8i s LEU 361 Cb 0.00 -2.92 0.04 0.00 0.03 0.00 0.00 46.19 43.34 1q8i s LEU 361 CO 0.00 -0.27 1.14 -2.65 0.23 0.00 0.00 176.35 174.79 1q8i n PRO 362 N -1.60 0.44 0.09 1.29 -0.02 -1.26 -4.65 135.00 129.30 1q8i n PRO 362 Ca -0.05 0.22 -0.05 0.00 -2.02 0.00 0.00 63.50 61.61 1q8i n PRO 362 Cb 0.57 -2.38 0.12 0.00 -0.02 0.00 0.00 33.50 31.79 1q8i n PRO 362 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1q8i h VAL 363 N -0.46 1.40 -0.53 -1.45 2.07 -1.89 -3.37 116.25 112.02 1q8i h VAL 363 Ca -0.47 -2.03 0.15 0.00 0.82 0.00 0.00 66.70 65.17 1q8i h VAL 363 Cb 1.32 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 33.11 1q8i h VAL 363 CO 0.47 0.60 0.51 -0.78 0.02 0.00 0.00 177.57 178.39 1q8i h ASP 364 N 0.14 0.00 0.00 0.57 1.82 -1.89 -3.42 116.42 113.64 1q8i h ASP 364 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1q8i h ASP 364 Cb 1.12 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.13 1q8i h ASP 364 CO 0.09 0.00 0.00 -2.11 -1.61 0.00 0.00 179.24 175.61 1q8i n ARG 365 N -3.81 0.00 -0.34 0.28 -4.01 -1.26 -4.79 116.66 102.73 1q8i n ARG 365 Ca 0.10 0.00 0.01 0.00 -1.04 0.00 0.00 57.85 56.92 1q8i n ARG 365 Cb 0.72 0.00 0.06 0.00 -3.04 0.00 0.00 32.46 30.21 1q8i n ARG 365 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 1q8i n HIS 366 N 0.00 0.12 0.00 2.89 8.25 -1.26 -4.71 115.22 120.50 1q8i n HIS 366 Ca 0.00 1.12 0.00 0.00 -0.26 0.00 0.00 57.72 58.58 1q8i n HIS 366 Cb 0.00 -0.90 0.00 0.00 1.12 0.00 0.00 29.99 30.21 1q8i n HIS 366 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q8i n GLY 367 N -1.47 0.00 3.70 -1.41 0.00 -1.26 -4.96 105.19 99.79 1q8i n GLY 367 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1q8i n GLY 367 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q8i s GLY 368 N 0.00 2.00 0.37 -0.02 0.00 -1.26 -4.93 107.32 103.47 1q8i s GLY 368 Ca 0.00 0.97 0.06 0.00 0.00 0.00 0.00 44.72 45.76 1q8i s GLY 368 CO 0.00 2.36 1.97 1.76 0.00 0.00 0.00 173.10 179.20 1q8i h SER 369 N 7.23 0.63 -0.31 1.64 0.02 -1.99 0.11 113.55 120.89 1q8i h SER 369 Ca -0.40 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.43 1q8i h SER 369 Cb 1.20 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1q8i h SER 369 CO 0.87 0.42 -0.26 0.58 -1.14 0.00 0.00 176.83 177.30 1q8i h VAL 370 N 0.72 1.30 -0.53 2.27 2.07 -1.96 -0.43 116.25 119.69 1q8i h VAL 370 Ca 0.29 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.32 1q8i h VAL 370 Cb 0.21 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1q8i h VAL 370 CO -0.09 0.46 0.04 0.00 0.02 0.00 0.00 177.57 177.99 1q8i h ALA 371 N 0.73 1.07 -0.54 1.67 0.00 -1.84 -2.50 119.26 117.85 1q8i h ALA 371 Ca 0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1q8i h ALA 371 Cb 0.82 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1q8i h ALA 371 CO 0.07 0.59 0.15 0.00 0.00 0.00 0.00 179.25 180.06 1q8i h ALA 372 N 1.22 0.71 -0.58 0.00 0.00 -0.77 -0.80 119.26 119.05 1q8i h ALA 372 Ca 0.16 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1q8i h ALA 372 Cb 0.43 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1q8i h ALA 372 CO 0.02 0.39 0.31 0.35 0.00 0.00 0.00 179.25 180.32 1q8i h PHE 373 N 0.75 0.57 -0.31 0.00 3.57 -0.90 -2.23 116.94 118.40 1q8i h PHE 373 Ca 0.17 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 1q8i h PHE 373 Cb 0.31 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1q8i h PHE 373 CO 0.02 0.29 -0.25 0.78 -2.23 0.00 0.00 178.31 176.91 1q8i h GLY 374 N 0.60 0.66 0.98 2.40 0.00 -0.99 0.25 103.07 106.97 1q8i h GLY 374 Ca 0.25 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1q8i h GLY 374 CO -0.16 0.51 0.24 0.84 0.00 0.00 0.00 176.54 177.97 1q8i h HIS 375 N 0.53 0.77 -0.19 5.60 -0.00 -0.80 0.17 115.15 121.23 1q8i h HIS 375 Ca 0.07 -0.04 -0.16 0.00 -0.00 0.00 0.00 60.37 60.24 1q8i h HIS 375 Cb 0.72 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.88 1q8i h HIS 375 CO 0.03 0.61 -0.54 -0.07 -0.00 0.00 0.00 177.93 177.96 1q8i h LEU 376 N 0.71 0.64 0.01 0.26 3.38 -1.17 -3.36 115.31 115.78 1q8i h LEU 376 Ca 0.18 -0.34 -0.19 0.00 0.09 0.00 0.00 57.88 57.62 1q8i h LEU 376 Cb 0.14 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 40.72 1q8i h LEU 376 CO -0.02 1.06 -0.75 0.22 0.09 0.00 0.00 178.44 179.04 1q8i h TYR 377 N 0.45 0.74 -0.40 1.13 3.20 -0.15 -3.40 116.97 118.54 1q8i h TYR 377 Ca 0.01 -0.41 0.08 0.00 3.14 0.00 0.00 58.73 61.56 1q8i h TYR 377 Cb 1.09 -0.08 -0.09 0.00 1.54 0.00 0.00 36.73 39.19 1q8i h TYR 377 CO 0.05 1.24 -0.21 0.74 -1.64 0.00 0.00 178.16 178.34 1q8i h PHE 378 N 0.04 -0.53 -0.12 -3.82 -1.00 -1.11 -0.86 116.94 109.54 1q8i h PHE 378 Ca -0.10 0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.64 1q8i h PHE 378 Cb 1.45 0.29 -0.01 0.00 3.61 0.00 0.00 35.95 41.29 1q8i h PHE 378 CO 0.14 -0.29 -0.31 -1.00 -1.61 0.00 0.00 178.31 175.24 1q8i h PRO 379 N -0.14 0.23 -0.10 1.51 0.13 -1.78 -0.52 132.00 131.33 1q8i h PRO 379 Ca 0.19 -0.09 -0.19 0.00 -0.87 0.00 0.00 66.00 65.04 1q8i h PRO 379 Cb 0.44 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 1q8i h PRO 379 CO -0.48 0.53 -0.73 0.00 -0.23 0.00 0.00 178.00 177.08 1q8i h ARG 380 N 0.21 0.51 -0.34 0.86 3.08 -1.63 -1.96 114.38 115.10 1q8i h ARG 380 Ca 0.03 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 1q8i h ARG 380 Cb 0.66 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 1q8i h ARG 380 CO 0.05 1.04 0.15 1.98 -1.07 0.00 0.00 179.97 182.12 1q8i h MET 381 N 0.35 0.51 -0.37 0.04 4.05 -0.68 -1.56 114.93 117.26 1q8i h MET 381 Ca -0.03 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.26 1q8i h MET 381 Cb 1.32 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 32.02 1q8i h MET 381 CO 0.13 0.48 0.09 0.45 0.23 0.00 0.00 176.91 178.30 1q8i h HIS 382 N 0.41 0.63 -0.19 1.39 3.86 -1.06 -2.05 115.15 118.15 1q8i h HIS 382 Ca 0.12 -0.07 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1q8i h HIS 382 Cb 0.16 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1q8i h HIS 382 CO -0.01 0.61 0.13 0.00 0.86 0.00 0.00 177.93 179.52 1q8i h ARG 383 N 0.46 0.14 0.00 2.45 3.08 -1.22 0.14 114.38 119.43 1q8i h ARG 383 Ca 0.12 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1q8i h ARG 383 Cb 0.30 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1q8i h ARG 383 CO 0.00 0.09 0.00 0.00 -1.07 0.00 0.00 179.97 178.99 1q8i n ALA 384 N -2.54 2.20 0.00 0.04 0.00 -0.60 -4.91 120.51 114.70 1q8i n ALA 384 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1q8i n ALA 384 Cb 0.16 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1q8i n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q8i n GLY 385 N 1.20 1.22 3.32 0.00 0.00 0.50 -5.07 105.19 106.36 1q8i n GLY 385 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1q8i n GLY 385 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1q8i s TYR 386 N -2.00 1.95 0.24 1.61 1.51 -0.82 -1.43 117.35 118.40 1q8i s TYR 386 Ca 0.00 -0.41 0.08 0.00 -1.01 0.00 0.00 57.07 55.73 1q8i s TYR 386 Cb 0.00 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1q8i s TYR 386 CO 0.00 0.25 0.09 0.14 -1.11 0.00 0.00 175.55 174.92 1q8i s VAL 387 N -1.17 3.96 0.33 0.71 -7.23 -0.54 -3.61 120.40 112.85 1q8i s VAL 387 Ca 0.09 -1.58 -0.27 0.00 -1.81 0.00 0.00 61.98 58.42 1q8i s VAL 387 Cb -0.10 -3.10 -0.09 0.00 0.56 0.00 0.00 36.38 33.65 1q8i s VAL 387 CO 0.05 -0.30 1.05 0.00 -0.31 0.00 0.00 175.10 175.58 1q8i s ALA 388 N -2.12 3.24 0.78 1.32 0.00 -1.26 -4.26 121.76 119.47 1q8i s ALA 388 Ca 0.31 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.92 1q8i s ALA 388 Cb -0.08 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 19.83 1q8i s ALA 388 CO 0.22 -0.12 1.09 -1.25 0.00 0.00 0.00 175.76 175.69 1q8i s PRO 389 N -1.94 2.19 0.49 0.00 0.04 -1.26 -4.43 135.00 130.09 1q8i s PRO 389 Ca 0.51 1.00 -0.07 0.00 0.04 0.00 0.00 61.00 62.47 1q8i s PRO 389 Cb -0.26 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1q8i s PRO 389 CO 0.33 -1.64 0.82 -0.80 0.04 0.00 0.00 177.00 175.75 1q8i s ASN 390 N -3.54 6.29 0.52 6.66 0.02 -1.26 -4.83 114.94 118.80 1q8i s ASN 390 Ca 0.61 1.03 -0.21 0.00 -1.02 0.00 0.00 52.86 53.26 1q8i s ASN 390 Cb -0.16 -2.29 -0.06 0.00 0.02 0.00 0.00 41.25 38.76 1q8i s ASN 390 CO 0.56 -0.60 1.21 -0.76 0.02 0.00 0.00 177.10 177.52 1q8i s LEU 391 N -4.69 3.86 -0.03 0.60 1.43 -1.26 -4.44 118.68 114.15 1q8i s LEU 391 Ca 0.49 2.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.98 1q8i s LEU 391 Cb -0.10 -4.38 0.00 0.00 0.03 0.00 0.00 46.19 41.73 1q8i s LEU 391 CO 0.45 -1.25 0.00 0.61 0.23 0.00 0.00 176.35 176.39 1q8i n GLY 392 N 0.47 0.41 0.17 -3.19 0.00 -1.26 -4.95 105.19 96.84 1q8i n GLY 392 Ca 0.10 -1.04 0.06 0.00 0.00 0.00 0.00 46.02 45.14 1q8i n GLY 392 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q8i n GLU 393 N -2.99 2.46 -3.94 1.61 1.02 -1.26 -4.85 120.64 112.69 1q8i n GLU 393 Ca -0.00 -0.42 -0.34 0.00 -0.02 0.00 0.00 57.16 56.37 1q8i n GLU 393 Cb 0.01 -1.09 -0.14 0.00 -0.02 0.00 0.00 31.44 30.20 1q8i n GLU 393 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1q8i s VAL 394 N -1.70 2.80 0.51 2.62 1.01 -1.26 -5.09 120.40 119.29 1q8i s VAL 394 Ca 0.08 -1.51 -0.22 0.00 0.00 0.00 0.00 61.98 60.33 1q8i s VAL 394 Cb 0.09 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.76 1q8i s VAL 394 CO 0.35 -0.14 1.26 -2.84 0.00 0.00 0.00 175.10 173.73 1q8i s PRO 395 N 1.20 3.42 0.67 2.72 0.02 -1.26 -4.93 135.00 136.84 1q8i s PRO 395 Ca -0.05 2.00 -0.12 0.00 0.02 0.00 0.00 61.00 62.85 1q8i s PRO 395 Cb -0.20 -2.31 -0.00 0.00 0.02 0.00 0.00 34.50 32.01 1q8i s PRO 395 CO -0.02 -0.90 1.06 -1.25 -0.33 0.00 0.00 177.00 175.56 1q8i s PRO 396 N -2.83 3.00 0.41 5.54 0.04 -1.26 -4.71 135.00 135.18 1q8i s PRO 396 Ca 0.68 1.04 0.07 0.00 0.04 0.00 0.00 61.00 62.83 1q8i s PRO 396 Cb -0.34 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 1q8i s PRO 396 CO 0.41 -1.06 0.09 -1.01 0.04 0.00 0.00 177.00 175.48 1q8i s HIS 397 N -2.88 2.56 0.12 0.56 3.76 -1.26 -5.06 115.29 113.09 1q8i s HIS 397 Ca 0.60 -0.62 -0.14 0.00 -0.15 0.00 0.00 55.06 54.75 1q8i s HIS 397 Cb -0.15 -1.86 0.06 0.00 1.11 0.00 0.00 32.58 31.75 1q8i s HIS 397 CO 0.50 0.32 0.91 0.00 -0.85 0.00 0.00 174.74 175.62 1q8i n ALA 398 N -1.10 -0.20 -1.63 -1.40 0.00 -1.26 -4.93 120.51 109.98 1q8i n ALA 398 Ca -0.03 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1q8i n ALA 398 Cb 0.66 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1q8i n ALA 398 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1q8i n SER 399 N -4.81 -5.97 -4.79 0.00 3.41 -1.26 -5.02 113.62 95.18 1q8i n SER 399 Ca 0.04 0.94 -0.33 0.00 -0.26 0.00 0.00 58.87 59.25 1q8i n SER 399 Cb 0.20 -3.23 0.01 0.00 -0.26 0.00 0.00 64.21 60.94 1q8i n SER 399 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1q8i s PRO 400 N -1.38 3.25 0.64 4.33 0.04 -1.26 -5.08 135.00 135.54 1q8i s PRO 400 Ca 0.00 1.33 0.02 0.00 0.04 0.00 0.00 61.00 62.39 1q8i s PRO 400 Cb 0.00 -2.01 0.09 0.00 0.04 0.00 0.00 34.50 32.62 1q8i s PRO 400 CO 0.00 -0.88 0.88 0.20 0.04 0.00 0.00 177.00 177.24 1q8i s GLY 401 N -2.50 1.78 0.95 0.56 0.00 -1.26 -4.99 107.32 101.86 1q8i s GLY 401 Ca 0.66 -1.71 -0.11 0.00 0.00 0.00 0.00 44.72 43.56 1q8i s GLY 401 CO 0.35 -1.25 1.09 -0.32 0.00 0.00 0.00 173.10 172.97 1q8i s GLY 402 N -4.63 1.62 0.36 0.20 0.00 -1.26 -4.94 107.32 98.67 1q8i s GLY 402 Ca 0.63 0.09 -0.27 0.00 0.00 0.00 0.00 44.72 45.17 1q8i s GLY 402 CO 0.41 0.60 1.12 2.98 0.00 0.00 0.00 173.10 178.22 1q8i n TYR 403 N -4.16 1.64 -3.69 1.90 9.36 -1.26 -4.85 117.16 116.10 1q8i n TYR 403 Ca 0.07 0.59 -0.12 0.00 3.32 0.00 0.00 57.90 61.77 1q8i n TYR 403 Cb 0.54 -2.31 -0.12 0.00 -0.63 0.00 0.00 39.34 36.82 1q8i n TYR 403 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1q8i s VAL 404 N -1.15 -0.20 -0.16 2.97 1.01 -1.26 -2.51 120.40 119.10 1q8i s VAL 404 Ca 0.59 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.70 1q8i s VAL 404 Cb -0.60 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1q8i s VAL 404 CO 0.60 0.07 -0.01 -0.32 0.00 0.00 0.00 175.10 175.44 1q8i s MET 405 N 1.75 3.74 0.22 2.72 0.00 -0.93 -4.75 119.30 122.04 1q8i s MET 405 Ca -0.06 -0.47 -0.32 0.00 0.00 0.00 0.00 55.69 54.85 1q8i s MET 405 Cb -0.10 -2.99 -0.13 0.00 0.00 0.00 0.00 34.83 31.60 1q8i s MET 405 CO -0.10 0.27 1.50 -0.40 0.00 0.00 0.00 175.02 176.29 1q8i n ASP 406 N 3.48 3.04 -4.77 1.11 5.68 -1.26 -4.23 116.55 119.59 1q8i n ASP 406 Ca -0.17 1.12 -0.30 0.00 -0.50 0.00 0.00 54.79 54.93 1q8i n ASP 406 Cb 0.52 -1.45 0.09 0.00 -1.14 0.00 0.00 41.12 39.15 1q8i n ASP 406 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1q8i s SER 407 N 0.56 4.41 -0.56 -1.12 1.04 -0.65 -4.82 113.70 112.57 1q8i s SER 407 Ca 0.72 1.56 -0.07 0.00 0.48 0.00 0.00 55.95 58.64 1q8i s SER 407 Cb -0.64 -2.30 0.15 0.00 0.10 0.00 0.00 66.02 63.33 1q8i s SER 407 CO 0.45 -2.05 0.41 -0.13 0.98 0.00 0.00 173.24 172.90 1q8i s ARG 408 N -5.00 2.58 0.74 4.02 0.52 -0.28 -4.73 118.95 116.80 1q8i s ARG 408 Ca 0.61 -2.15 -0.14 0.00 -0.52 0.00 0.00 55.73 53.53 1q8i s ARG 408 Cb -0.16 -3.87 0.05 0.00 0.52 0.00 0.00 34.95 31.49 1q8i s ARG 408 CO 0.56 -1.18 1.19 -1.25 0.02 0.00 0.00 175.30 174.63 1q8i s PRO 409 N 0.65 2.09 0.00 3.54 0.04 -1.26 -4.86 135.00 135.20 1q8i s PRO 409 Ca 0.12 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1q8i s PRO 409 Cb -0.21 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1q8i s PRO 409 CO -0.03 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 175.56 1q8i n GLY 410 N 0.21 1.05 3.46 0.56 0.00 0.23 -4.95 105.19 105.75 1q8i n GLY 410 Ca 0.13 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 1q8i n GLY 410 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q8i s LEU 411 N 0.00 3.36 0.17 0.99 2.96 -1.26 -0.31 118.68 124.58 1q8i s LEU 411 Ca 0.00 -0.19 0.09 0.00 -0.22 0.00 0.00 54.13 53.82 1q8i s LEU 411 Cb 0.00 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1q8i s LEU 411 CO 0.00 0.04 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.56 1q8i s TYR 412 N 1.18 1.94 -0.28 5.38 1.51 0.13 -4.96 117.35 122.25 1q8i s TYR 412 Ca 0.04 -0.44 -0.13 0.00 -1.01 0.00 0.00 57.07 55.53 1q8i s TYR 412 Cb -0.14 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 1q8i s TYR 412 CO 0.02 0.37 0.30 -0.51 -1.11 0.00 0.00 175.55 174.62 1q8i s ASP 413 N -2.64 6.15 -0.17 2.29 1.01 -1.26 -1.01 116.67 121.03 1q8i s ASP 413 Ca 0.17 0.13 -0.01 0.00 0.71 0.00 0.00 52.55 53.55 1q8i s ASP 413 Cb -0.06 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.69 1q8i s ASP 413 CO 0.07 -0.14 0.03 -1.20 0.21 0.00 0.00 175.17 174.14 1q8i n SER 414 N 5.22 -5.17 -4.25 0.27 7.64 -0.75 -4.04 113.62 112.53 1q8i n SER 414 Ca -0.11 0.72 -0.31 0.00 1.01 0.00 0.00 58.87 60.18 1q8i n SER 414 Cb 0.51 -3.29 -0.16 0.00 -1.01 0.00 0.00 64.21 60.26 1q8i n SER 414 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1q8i s VAL 415 N -0.94 2.00 -0.03 0.44 1.01 -0.35 -1.86 120.40 120.67 1q8i s VAL 415 Ca 0.01 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1q8i s VAL 415 Cb -0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1q8i s VAL 415 CO 0.41 0.56 0.10 -0.76 0.00 0.00 0.00 175.10 175.41 1q8i s LEU 416 N -0.13 4.04 -0.18 3.92 1.43 0.07 -0.82 118.68 127.02 1q8i s LEU 416 Ca -0.04 0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1q8i s LEU 416 Cb -0.14 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 1q8i s LEU 416 CO 0.04 0.30 -0.04 -0.69 0.23 0.00 0.00 176.35 176.18 1q8i s VAL 417 N -1.18 3.66 -0.16 -1.59 1.01 -0.58 -0.13 120.40 121.44 1q8i s VAL 417 Ca 0.22 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1q8i s VAL 417 Cb -0.12 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1q8i s VAL 417 CO 0.13 0.47 -0.21 -0.76 0.00 0.00 0.00 175.10 174.73 1q8i s LEU 418 N 0.75 2.15 0.02 3.92 1.43 -0.28 -1.10 118.68 125.57 1q8i s LEU 418 Ca -0.02 -0.61 0.05 0.00 -1.03 0.00 0.00 54.13 52.52 1q8i s LEU 418 Cb -0.15 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 1q8i s LEU 418 CO 0.02 0.05 -0.14 1.51 0.23 0.00 0.00 176.35 178.02 1q8i s ASP 419 N 1.00 1.63 0.18 2.29 -4.77 0.24 -0.63 116.67 116.60 1q8i s ASP 419 Ca -0.02 -0.38 -0.30 0.00 -3.30 0.00 0.00 52.55 48.54 1q8i s ASP 419 Cb -0.15 -0.13 -0.08 0.00 -1.09 0.00 0.00 42.92 41.47 1q8i s ASP 419 CO -0.06 0.08 1.29 -0.31 0.70 0.00 0.00 175.17 176.87 1q8i s TYR 420 N -0.66 3.30 0.06 2.11 1.51 -0.26 0.67 117.35 124.08 1q8i s TYR 420 Ca 0.03 1.23 -0.31 0.00 -1.01 0.00 0.00 57.07 57.02 1q8i s TYR 420 Cb -0.07 -3.57 -0.06 0.00 -0.11 0.00 0.00 41.96 38.16 1q8i s TYR 420 CO 0.01 -1.77 1.26 0.21 -1.11 0.00 0.00 175.55 174.15 1q8i s LYS 421 N 0.09 4.39 -0.58 -0.62 2.20 0.28 -4.09 119.74 121.40 1q8i s LYS 421 Ca 0.57 1.85 -0.10 0.00 -0.36 0.00 0.00 55.97 57.93 1q8i s LYS 421 Cb -0.35 -3.37 0.01 0.00 -1.51 0.00 0.00 37.83 32.62 1q8i s LYS 421 CO 0.36 -0.34 0.36 0.43 -0.36 0.00 0.00 175.35 175.80 1q8i n SER 422 N 4.19 -2.52 -0.04 1.43 7.64 -1.26 -4.66 113.62 118.39 1q8i n SER 422 Ca 0.10 -0.65 -0.08 0.00 1.01 0.00 0.00 58.87 59.24 1q8i n SER 422 Cb 0.45 -0.90 -0.02 0.00 -1.01 0.00 0.00 64.21 62.73 1q8i n SER 422 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1q8i h LEU 423 N 0.05 -0.28 -0.05 -3.43 5.85 -1.96 -0.13 115.31 115.36 1q8i h LEU 423 Ca -0.39 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1q8i h LEU 423 Cb 0.80 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 1q8i h LEU 423 CO 0.25 -0.11 0.02 1.88 -0.34 0.00 0.00 178.44 180.15 1q8i h TYR 424 N -0.05 0.07 -0.80 1.25 0.05 -1.96 0.18 116.97 115.72 1q8i h TYR 424 Ca 0.11 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.94 1q8i h TYR 424 Cb 0.21 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 37.88 1q8i h TYR 424 CO -0.25 0.19 0.53 -1.35 -1.05 0.00 0.00 178.16 176.23 1q8i h PRO 425 N -0.07 0.89 -0.09 4.88 0.11 -1.83 -0.87 132.00 135.03 1q8i h PRO 425 Ca 0.02 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 1q8i h PRO 425 Cb 0.15 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1q8i h PRO 425 CO -0.00 0.59 -0.39 0.66 -0.21 0.00 0.00 178.00 178.65 1q8i h SER 426 N 0.92 0.19 -0.32 -2.05 4.64 0.02 -1.40 113.55 115.55 1q8i h SER 426 Ca 0.34 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.43 1q8i h SER 426 Cb 0.16 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1q8i h SER 426 CO -0.11 0.57 -0.40 0.40 -0.87 0.00 0.00 176.83 176.42 1q8i h ILE 427 N 0.16 1.29 -0.64 0.95 2.04 -0.18 -1.52 117.51 119.61 1q8i h ILE 427 Ca 0.02 -1.58 0.06 0.00 1.00 0.00 0.00 64.86 64.36 1q8i h ILE 427 Cb 0.76 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 1q8i h ILE 427 CO 0.06 0.51 0.34 0.58 0.00 0.00 0.00 178.15 179.64 1q8i h VAL 428 N 0.60 0.95 -0.53 1.67 2.07 -0.76 0.48 116.25 120.73 1q8i h VAL 428 Ca 0.04 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 1q8i h VAL 428 Cb 0.99 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1q8i h VAL 428 CO 0.09 0.12 -0.12 0.03 0.02 0.00 0.00 177.57 177.70 1q8i h ARG 429 N 0.63 1.02 0.09 1.57 3.08 -1.14 -1.95 114.38 117.69 1q8i h ARG 429 Ca 0.29 -0.39 -0.16 0.00 0.07 0.00 0.00 59.98 59.79 1q8i h ARG 429 Cb 0.20 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.19 1q8i h ARG 429 CO -0.19 1.08 -0.75 1.15 -1.07 0.00 0.00 179.97 180.19 1q8i h THR 430 N 0.90 1.45 -0.12 2.04 2.02 -1.00 -3.37 112.91 114.82 1q8i h THR 430 Ca 0.14 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.88 1q8i h THR 430 Cb 0.70 3.09 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 1q8i h THR 430 CO 0.05 0.65 0.00 0.49 0.37 0.00 0.00 175.52 177.09 1q8i n PHE 431 N -4.24 0.13 -2.28 3.16 3.01 0.13 -4.52 117.46 112.85 1q8i n PHE 431 Ca -0.16 -0.07 -0.13 0.00 1.01 0.00 0.00 57.45 58.10 1q8i n PHE 431 Cb 0.74 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.20 1q8i n PHE 431 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1q8i n LEU 432 N 1.04 -1.63 -4.73 4.37 4.77 -0.74 -4.92 117.00 115.16 1q8i n LEU 432 Ca 0.16 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 1q8i n LEU 432 Cb 0.53 -1.97 -0.03 0.00 -2.33 0.00 0.00 43.42 39.62 1q8i n LEU 432 CO 0.15 -0.11 1.19 -0.63 -1.33 0.00 0.00 177.39 176.67 1q8i s ILE 433 N -2.65 2.52 -0.29 -0.08 -1.09 -1.20 -4.79 121.20 113.62 1q8i s ILE 433 Ca 0.02 0.41 -0.22 0.00 -2.23 0.00 0.00 60.65 58.63 1q8i s ILE 433 Cb -0.01 -3.26 0.17 0.00 -1.58 0.00 0.00 42.46 37.78 1q8i s ILE 433 CO 0.02 0.05 1.23 -0.62 -1.23 0.00 0.00 174.94 174.39 1q8i s ASP 434 N 0.75 -0.23 0.12 3.58 3.68 -1.26 -4.51 116.67 118.80 1q8i s ASP 434 Ca 0.65 0.42 -0.22 0.00 2.13 0.00 0.00 52.55 55.53 1q8i s ASP 434 Cb -0.44 0.65 -0.04 0.00 -1.45 0.00 0.00 42.92 41.65 1q8i s ASP 434 CO 0.38 -0.07 1.69 -0.65 0.13 0.00 0.00 175.17 176.65 1q8i h PRO 435 N 4.25 -0.12 -0.28 4.34 0.11 -1.93 -1.24 132.00 137.13 1q8i h PRO 435 Ca -0.27 0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.68 1q8i h PRO 435 Cb 1.18 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1q8i h PRO 435 CO 0.17 -0.08 -0.45 0.28 -0.21 0.00 0.00 178.00 177.71 1q8i h VAL 436 N -0.12 1.29 -0.98 3.15 2.07 -1.97 -2.97 116.25 116.71 1q8i h VAL 436 Ca 0.08 -1.64 0.16 0.00 0.82 0.00 0.00 66.70 66.12 1q8i h VAL 436 Cb 0.24 1.64 -0.09 0.00 -1.52 0.00 0.00 31.29 31.56 1q8i h VAL 436 CO -0.20 0.53 0.61 1.23 0.02 0.00 0.00 177.57 179.77 1q8i h GLY 437 N 0.57 1.56 0.88 2.17 0.00 -1.61 -1.34 103.07 105.30 1q8i h GLY 437 Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1q8i h GLY 437 CO 0.10 0.04 0.06 -2.00 0.00 0.00 0.00 176.54 174.75 1q8i h LEU 438 N 0.79 0.22 -0.23 3.11 5.85 -1.07 0.38 115.31 124.36 1q8i h LEU 438 Ca 0.52 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 59.11 1q8i h LEU 438 Cb 0.77 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1q8i h LEU 438 CO -0.30 0.33 0.04 0.58 -0.34 0.00 0.00 178.44 178.76 1q8i h VAL 439 N 0.11 0.89 -0.19 1.05 2.07 -1.29 0.30 116.25 119.18 1q8i h VAL 439 Ca 0.05 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 67.42 1q8i h VAL 439 Cb 0.17 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1q8i h VAL 439 CO -0.00 0.02 -0.35 -0.33 0.02 0.00 0.00 177.57 176.93 1q8i h GLU 440 N 0.13 0.41 -0.17 1.57 4.39 -1.27 -3.06 114.58 116.59 1q8i h GLU 440 Ca 0.10 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1q8i h GLU 440 Cb 0.10 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1q8i h GLU 440 CO -0.14 0.71 -0.07 0.78 -1.16 0.00 0.00 179.01 179.13 1q8i h GLY 441 N 1.10 0.37 1.95 -3.84 0.00 0.01 -2.84 103.07 99.82 1q8i h GLY 441 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1q8i h GLY 441 CO 0.06 0.30 0.02 -0.33 0.00 0.00 0.00 176.54 176.59 1q8i h MET 442 N 0.03 0.00 0.00 4.80 2.86 -0.92 -0.81 114.93 120.89 1q8i h MET 442 Ca 0.04 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1q8i h MET 442 Cb 0.53 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1q8i h MET 442 CO 0.02 0.00 -0.46 0.00 1.06 0.00 0.00 176.91 177.54 1q8i h ALA 443 N 1.96 0.78 -2.14 6.32 0.00 -1.40 -3.35 119.26 121.42 1q8i h ALA 443 Ca 0.00 -0.26 -0.58 0.00 0.00 0.00 0.00 54.91 54.08 1q8i h ALA 443 Cb 0.04 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 17.43 1q8i h ALA 443 CO -0.00 0.34 -0.96 1.04 0.00 0.00 0.00 179.25 179.67 1q8i n GLN 444 N -3.08 1.06 -1.19 0.00 6.02 -0.37 -5.05 117.38 114.77 1q8i n GLN 444 Ca 0.01 -3.57 -0.35 0.00 -0.01 0.00 0.00 57.00 53.08 1q8i n GLN 444 Cb 0.64 -1.54 -0.02 0.00 1.02 0.00 0.00 30.24 30.33 1q8i n GLN 444 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1q8i n PRO 445 N 1.53 3.10 -3.93 -1.09 -0.04 -0.81 -4.25 135.00 129.50 1q8i n PRO 445 Ca 0.24 -2.03 -0.09 0.00 -0.04 0.00 0.00 63.50 61.59 1q8i n PRO 445 Cb 0.49 -2.76 -0.09 0.00 -0.04 0.00 0.00 33.50 31.10 1q8i n PRO 445 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1q8i s ASP 446 N 2.72 0.20 0.40 3.54 1.47 -1.26 -5.05 116.67 118.70 1q8i s ASP 446 Ca 0.59 -0.60 0.29 0.00 1.18 0.00 0.00 52.55 54.01 1q8i s ASP 446 Cb 0.15 0.24 1.30 0.00 -0.34 0.00 0.00 42.92 44.28 1q8i s ASP 446 CO -0.05 -0.55 1.86 1.55 0.68 0.00 0.00 175.17 178.66 1q8i h PRO 447 N 3.47 0.00 -0.05 2.11 0.13 -1.89 0.24 132.00 136.01 1q8i h PRO 447 Ca -0.33 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 1q8i h PRO 447 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1q8i h PRO 447 CO 0.53 0.00 -0.06 0.93 -0.23 0.00 0.00 178.00 179.17 1q8i h GLU 448 N 0.00 0.12 0.00 0.86 3.07 -1.97 -3.34 114.58 113.32 1q8i h GLU 448 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1q8i h GLU 448 Cb 0.31 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1q8i h GLU 448 CO 0.00 0.61 -1.49 0.72 -1.40 0.00 0.00 179.01 177.45 1q8i n HIS 449 N -4.74 0.35 -4.14 4.33 8.25 -1.03 -4.98 115.22 113.26 1q8i n HIS 449 Ca -0.08 0.10 -0.15 0.00 -0.26 0.00 0.00 57.72 57.34 1q8i n HIS 449 Cb 0.31 -0.61 -0.06 0.00 1.12 0.00 0.00 29.99 30.74 1q8i n HIS 449 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1q8i s SER 450 N -4.62 0.83 -0.02 0.41 0.01 0.04 -1.09 113.70 109.26 1q8i s SER 450 Ca -0.03 -1.46 0.02 0.00 1.31 0.00 0.00 55.95 55.79 1q8i s SER 450 Cb 0.13 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1q8i s SER 450 CO 0.85 -1.14 -0.07 0.28 0.41 0.00 0.00 173.24 173.58 1q8i s THR 451 N -3.48 0.58 0.01 1.44 -1.32 -0.32 -4.08 115.64 108.47 1q8i s THR 451 Ca 0.34 -0.27 -0.26 0.00 -1.21 0.00 0.00 61.69 60.28 1q8i s THR 451 Cb 0.02 -0.52 -0.04 0.00 -1.51 0.00 0.00 72.50 70.44 1q8i s THR 451 CO 0.19 0.18 0.81 -0.70 -2.21 0.00 0.00 174.62 172.89 1q8i s GLU 452 N 0.10 4.51 0.00 7.08 2.12 -1.26 -0.60 118.70 130.65 1q8i s GLU 452 Ca -0.01 1.12 0.00 0.00 0.36 0.00 0.00 54.97 56.44 1q8i s GLU 452 Cb -0.06 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.92 1q8i s GLU 452 CO -0.00 0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.27 1q8i n GLY 453 N 2.71 1.95 3.80 -1.50 0.00 0.15 -4.96 105.19 107.34 1q8i n GLY 453 Ca 0.00 -1.25 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 1q8i n GLY 453 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q8i s PHE 454 N 4.62 2.23 -1.44 1.61 0.40 -1.26 -4.46 117.98 119.68 1q8i s PHE 454 Ca 0.00 -0.70 -0.09 0.00 -0.60 0.00 0.00 56.93 55.54 1q8i s PHE 454 Cb 0.00 -1.93 0.05 0.00 0.51 0.00 0.00 43.02 41.65 1q8i s PHE 454 CO 0.00 -0.04 0.92 1.28 0.70 0.00 0.00 175.22 178.08 1q8i n LEU 455 N -1.43 -2.84 -1.88 -0.37 7.99 -1.26 -1.05 117.00 116.16 1q8i n LEU 455 Ca -0.03 -0.76 -0.13 0.00 -0.01 0.00 0.00 56.01 55.08 1q8i n LEU 455 Cb 0.64 -2.65 -0.03 0.00 -0.11 0.00 0.00 43.42 41.27 1q8i n LEU 455 CO 0.43 0.47 -0.14 0.47 -1.51 0.00 0.00 177.39 177.10 1q8i n ASP 456 N -2.93 -3.68 -4.78 -1.43 8.00 -1.26 -4.94 116.55 105.54 1q8i n ASP 456 Ca -0.07 0.25 -0.37 0.00 0.71 0.00 0.00 54.79 55.31 1q8i n ASP 456 Cb 0.58 -3.28 -0.04 0.00 -0.02 0.00 0.00 41.12 38.35 1q8i n ASP 456 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q8i s ALA 457 N -2.35 3.18 0.01 2.24 0.00 -0.22 -4.93 121.76 119.69 1q8i s ALA 457 Ca 0.00 0.71 0.06 0.00 0.00 0.00 0.00 51.96 52.73 1q8i s ALA 457 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1q8i s ALA 457 CO 0.00 -0.13 -0.17 -1.58 0.00 0.00 0.00 175.76 173.88 1q8i s TRP 458 N -1.54 1.50 -0.10 0.00 0.52 -1.26 -0.67 118.94 117.39 1q8i s TRP 458 Ca 0.53 -0.31 0.04 0.00 0.02 0.00 0.00 56.10 56.38 1q8i s TRP 458 Cb -0.24 -0.94 0.00 0.00 -1.15 0.00 0.00 33.47 31.15 1q8i s TRP 458 CO 0.30 0.01 -0.24 -0.06 0.02 0.00 0.00 176.95 176.98 1q8i s PHE 459 N -0.56 2.55 0.38 -1.98 0.40 0.23 -3.31 117.98 115.68 1q8i s PHE 459 Ca 0.06 -1.06 -0.28 0.00 -0.60 0.00 0.00 56.93 55.05 1q8i s PHE 459 Cb -0.07 -1.70 -0.11 0.00 0.51 0.00 0.00 43.02 41.65 1q8i s PHE 459 CO 0.00 -0.43 1.46 0.45 0.70 0.00 0.00 175.22 177.40 1q8i s SER 460 N 0.37 6.37 0.26 1.36 0.15 0.27 -1.17 113.70 121.31 1q8i s SER 460 Ca -0.18 2.99 0.18 0.00 0.70 0.00 0.00 55.95 59.64 1q8i s SER 460 Cb -0.18 -2.66 0.08 0.00 -1.71 0.00 0.00 66.02 61.55 1q8i s SER 460 CO 0.08 -0.85 1.30 0.03 1.20 0.00 0.00 173.24 175.00 1q8i h ARG 461 N 3.01 0.00 0.00 5.44 3.08 -1.43 -3.39 114.38 121.09 1q8i h ARG 461 Ca -0.51 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.28 1q8i h ARG 461 Cb 1.24 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.24 1q8i h ARG 461 CO 0.64 0.26 -2.10 0.39 -1.07 0.00 0.00 179.97 178.09 1q8i n GLU 462 N -3.04 0.67 -3.73 0.04 1.02 -1.26 -4.87 120.64 109.47 1q8i n GLU 462 Ca -0.00 0.03 -0.28 0.00 -0.02 0.00 0.00 57.16 56.88 1q8i n GLU 462 Cb 0.68 -1.59 -0.16 0.00 -0.02 0.00 0.00 31.44 30.35 1q8i n GLU 462 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1q8i s LYS 463 N -2.75 0.69 0.24 3.49 2.47 -1.26 -5.11 119.74 117.51 1q8i s LYS 463 Ca -0.08 -0.62 -0.19 0.00 -1.56 0.00 0.00 55.97 53.52 1q8i s LYS 463 Cb 0.08 -2.05 0.02 0.00 -1.46 0.00 0.00 37.83 34.43 1q8i s LYS 463 CO 0.84 -0.75 0.61 -3.38 0.16 0.00 0.00 175.35 172.83 1q8i s HIS 464 N 1.79 -0.12 0.00 4.03 -3.43 -1.26 -3.67 115.29 112.62 1q8i s HIS 464 Ca 0.02 -0.26 0.00 0.00 -0.80 0.00 0.00 55.06 54.02 1q8i s HIS 464 Cb -0.17 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.50 1q8i s HIS 464 CO -0.14 -1.07 0.00 0.00 -2.00 0.00 0.00 174.74 171.53 1q8i h LEU 466 N 0.00 1.05 -0.42 0.00 5.85 -1.96 -2.49 115.31 117.33 1q8i h LEU 466 Ca 0.00 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1q8i h LEU 466 Cb 0.62 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1q8i h LEU 466 CO 0.00 0.71 0.12 -0.65 -0.34 0.00 0.00 178.44 178.28 1q8i h PRO 467 N 1.21 0.26 -0.30 5.25 0.11 -1.80 0.94 132.00 137.66 1q8i h PRO 467 Ca 0.39 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.51 1q8i h PRO 467 Cb 0.03 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 1q8i h PRO 467 CO -0.13 0.17 0.12 0.93 -0.21 0.00 0.00 178.00 178.88 1q8i h GLU 468 N 0.26 0.26 0.00 1.05 3.07 -1.84 -0.60 114.58 116.78 1q8i h GLU 468 Ca 0.20 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1q8i h GLU 468 Cb 0.22 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1q8i h GLU 468 CO -0.23 0.17 -0.02 0.82 -1.40 0.00 0.00 179.01 178.35 1q8i h ILE 469 N 0.27 0.94 -0.81 3.13 2.04 -1.00 -0.91 117.51 121.16 1q8i h ILE 469 Ca 0.13 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.02 1q8i h ILE 469 Cb 0.08 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 1q8i h ILE 469 CO -0.11 0.00 0.52 0.58 0.00 0.00 0.00 178.15 179.13 1q8i h VAL 470 N -0.04 1.12 -0.63 1.67 2.07 -0.79 -0.91 116.25 118.74 1q8i h VAL 470 Ca 0.01 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1q8i h VAL 470 Cb 0.05 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 1q8i h VAL 470 CO -0.02 0.18 0.37 0.74 0.02 0.00 0.00 177.57 178.86 1q8i h THR 471 N 1.00 1.19 -0.41 2.57 2.02 -0.74 0.14 112.91 118.68 1q8i h THR 471 Ca 0.32 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1q8i h THR 471 Cb 0.02 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1q8i h THR 471 CO -0.12 0.20 0.14 0.78 0.37 0.00 0.00 175.52 176.90 1q8i h ASN 472 N 0.86 0.58 -0.37 4.18 2.35 -0.75 -2.29 115.58 120.14 1q8i h ASN 472 Ca 0.23 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1q8i h ASN 472 Cb 0.00 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1q8i h ASN 472 CO -0.04 0.61 0.15 0.40 -1.65 0.00 0.00 177.43 176.90 1q8i h ILE 473 N 0.51 1.19 0.17 2.81 2.04 -0.87 -1.72 117.51 121.64 1q8i h ILE 473 Ca 0.13 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.41 1q8i h ILE 473 Cb 0.23 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1q8i h ILE 473 CO -0.01 0.21 -0.25 -0.25 0.00 0.00 0.00 178.15 177.86 1q8i h TRP 474 N 0.45 -0.66 -0.53 1.37 2.91 -0.87 -0.20 115.95 118.43 1q8i h TRP 474 Ca 0.12 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.14 1q8i h TRP 474 Cb 0.19 0.27 -0.03 0.00 -0.51 0.00 0.00 29.16 29.09 1q8i h TRP 474 CO -0.00 -0.35 0.26 0.45 -1.03 0.00 0.00 178.44 177.76 1q8i h HIS 475 N -0.48 0.72 -0.33 2.65 3.86 -1.45 -2.34 115.15 117.77 1q8i h HIS 475 Ca 0.02 -0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 1q8i h HIS 475 Cb 0.48 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 1q8i h HIS 475 CO -0.20 0.53 -0.17 0.78 0.86 0.00 0.00 177.93 179.72 1q8i h GLY 476 N 0.83 0.66 0.85 2.45 0.00 -0.84 -0.02 103.07 107.00 1q8i h GLY 476 Ca 0.19 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1q8i h GLY 476 CO -0.03 0.47 0.02 -0.09 0.00 0.00 0.00 176.54 176.92 1q8i h ARG 477 N 0.55 0.39 -0.06 4.80 2.43 -0.64 -0.58 114.38 121.26 1q8i h ARG 477 Ca 0.09 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1q8i h ARG 477 Cb 0.61 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1q8i h ARG 477 CO 0.04 0.55 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.41 1q8i h ASP 478 N 0.18 0.10 -0.04 -3.80 3.32 -1.10 -1.19 116.42 113.90 1q8i h ASP 478 Ca 0.07 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1q8i h ASP 478 Cb 0.35 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.88 1q8i h ASP 478 CO 0.01 0.30 -0.40 -0.08 -1.72 0.00 0.00 179.24 177.34 1q8i h GLU 479 N 0.10 0.34 -0.65 3.56 4.57 -0.67 -1.95 114.58 119.88 1q8i h GLU 479 Ca 0.02 -0.32 0.06 0.00 -1.18 0.00 0.00 59.36 57.94 1q8i h GLU 479 Cb 0.40 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.01 1q8i h GLU 479 CO 0.03 0.98 0.35 0.00 -1.18 0.00 0.00 179.01 179.19 1q8i h ALA 480 N 0.37 0.87 -0.18 2.92 0.00 -0.91 0.03 119.26 122.35 1q8i h ALA 480 Ca -0.04 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1q8i h ALA 480 Cb 1.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1q8i h ALA 480 CO 0.08 0.02 0.07 0.87 0.00 0.00 0.00 179.25 180.29 1q8i h LYS 481 N 0.65 0.16 -0.90 0.00 1.57 -1.14 -0.47 116.57 116.44 1q8i h LYS 481 Ca 0.30 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.14 1q8i h LYS 481 Cb 0.20 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 1q8i h LYS 481 CO -0.19 0.10 0.58 -0.09 -0.57 0.00 0.00 179.45 179.29 1q8i h ARG 482 N 0.16 0.96 -0.01 3.15 2.43 -0.93 -2.24 114.38 117.89 1q8i h ARG 482 Ca 0.08 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1q8i h ARG 482 Cb 0.04 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1q8i h ARG 482 CO -0.07 0.63 0.00 1.04 -1.51 0.00 0.00 179.97 180.06 1q8i n GLN 483 N -4.50 1.35 -1.11 0.20 6.02 -0.04 -4.92 117.38 114.38 1q8i n GLN 483 Ca 0.14 -0.52 -0.04 0.00 -0.01 0.00 0.00 57.00 56.58 1q8i n GLN 483 Cb 0.23 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.99 1q8i n GLN 483 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1q8i n GLY 484 N 1.08 0.68 3.44 1.08 0.00 -0.57 -4.96 105.19 105.94 1q8i n GLY 484 Ca 0.21 -0.88 -0.44 0.00 0.00 0.00 0.00 46.02 44.91 1q8i n GLY 484 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1q8i s ASN 485 N -2.94 6.86 0.13 1.61 3.84 -0.29 -4.87 114.94 119.28 1q8i s ASN 485 Ca 0.00 -2.57 -0.17 0.00 0.21 0.00 0.00 52.86 50.32 1q8i s ASN 485 Cb 0.00 -2.37 -0.02 0.00 -0.55 0.00 0.00 41.25 38.30 1q8i s ASN 485 CO 0.00 -0.85 1.72 0.11 -2.79 0.00 0.00 177.10 175.29 1q8i h LYS 486 N 7.94 0.48 -0.41 0.43 1.57 -1.93 -1.80 116.57 122.86 1q8i h LYS 486 Ca 0.22 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1q8i h LYS 486 Cb 0.96 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1q8i h LYS 486 CO 1.13 0.42 0.20 -1.35 -0.57 0.00 0.00 179.45 179.27 1q8i h PRO 487 N 0.41 0.56 0.16 3.15 0.11 -1.91 -0.49 132.00 133.99 1q8i h PRO 487 Ca 0.12 -0.06 -0.29 0.00 0.11 0.00 0.00 66.00 65.88 1q8i h PRO 487 Cb 0.09 -0.11 0.02 0.00 0.11 0.00 0.00 31.00 31.11 1q8i h PRO 487 CO -0.02 0.44 -1.29 1.25 -0.21 0.00 0.00 178.00 178.17 1q8i h LEU 488 N 0.56 0.59 -0.54 2.35 5.85 -1.80 -1.50 115.31 120.83 1q8i h LEU 488 Ca 0.14 -0.61 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 1q8i h LEU 488 Cb 0.06 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1q8i h LEU 488 CO -0.02 1.47 0.29 -1.28 -0.34 0.00 0.00 178.44 178.56 1q8i h SER 489 N 0.12 0.68 0.58 1.25 0.87 -1.19 -0.63 113.55 115.23 1q8i h SER 489 Ca -0.17 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1q8i h SER 489 Cb 2.00 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.77 1q8i h SER 489 CO 0.23 0.59 -0.43 -0.61 -0.53 0.00 0.00 176.83 176.08 1q8i h GLN 490 N 0.72 -0.94 -0.58 2.24 4.15 -0.91 -1.41 115.11 118.38 1q8i h GLN 490 Ca 0.19 0.06 0.10 0.00 0.77 0.00 0.00 58.65 59.78 1q8i h GLN 490 Cb 0.07 0.21 -0.11 0.00 0.21 0.00 0.00 27.48 27.86 1q8i h GLN 490 CO -0.03 -0.62 -0.33 0.00 -1.93 0.00 0.00 178.83 175.92 1q8i h ALA 491 N -0.72 -0.03 0.00 3.38 0.00 -1.22 -0.94 119.26 119.74 1q8i h ALA 491 Ca -0.07 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1q8i h ALA 491 Cb 0.81 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 1q8i h ALA 491 CO 0.02 -0.67 -0.01 -0.07 0.00 0.00 0.00 179.25 178.52 1q8i h LEU 492 N -0.16 0.00 0.04 0.00 3.38 -1.07 -1.84 115.31 115.66 1q8i h LEU 492 Ca 0.23 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 1q8i h LEU 492 Cb 0.55 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.31 1q8i h LEU 492 CO -0.67 0.01 -0.48 0.50 0.09 0.00 0.00 178.44 177.90 1q8i h LYS 493 N 0.00 0.26 -0.59 1.13 3.64 -0.05 -1.72 116.57 119.23 1q8i h LYS 493 Ca -0.00 -0.33 0.07 0.00 -1.27 0.00 0.00 60.65 59.12 1q8i h LYS 493 Cb 0.05 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 1q8i h LYS 493 CO 0.00 1.07 0.28 0.82 -2.27 0.00 0.00 179.45 179.35 1q8i h ILE 494 N -0.40 0.88 -0.39 2.00 2.04 -1.13 -0.65 117.51 119.86 1q8i h ILE 494 Ca -0.07 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 1q8i h ILE 494 Cb 1.26 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1q8i h ILE 494 CO 0.09 0.09 -0.11 0.40 0.00 0.00 0.00 178.15 178.63 1q8i h ILE 495 N 0.51 1.28 -0.56 -0.67 2.04 -1.22 -0.77 117.51 118.13 1q8i h ILE 495 Ca 0.28 -1.21 -0.11 0.00 1.00 0.00 0.00 64.86 64.82 1q8i h ILE 495 Cb 0.25 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1q8i h ILE 495 CO -0.22 0.40 -0.09 -0.03 0.00 0.00 0.00 178.15 178.21 1q8i h MET 496 N 0.58 1.05 0.00 2.37 4.05 -1.22 -1.54 114.93 120.21 1q8i h MET 496 Ca 0.10 -0.38 -0.00 0.00 -0.28 0.00 0.00 59.70 59.13 1q8i h MET 496 Cb 0.64 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.36 1q8i h MET 496 CO 0.04 1.08 -0.02 -0.91 0.23 0.00 0.00 176.91 177.33 1q8i h ASN 497 N 0.93 0.00 1.26 1.39 -0.26 -0.43 -3.20 115.58 115.27 1q8i h ASN 497 Ca 0.15 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.85 1q8i h ASN 497 Cb 0.66 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.91 1q8i h ASN 497 CO 0.05 0.02 -0.76 0.00 -1.06 0.00 0.00 177.43 175.67 1q8i h ALA 498 N 1.98 0.67 -0.59 -0.83 0.00 -0.10 -3.39 119.26 117.00 1q8i h ALA 498 Ca -0.00 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1q8i h ALA 498 Cb 0.22 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1q8i h ALA 498 CO 0.00 0.22 0.24 0.74 0.00 0.00 0.00 179.25 180.46 1q8i h PHE 499 N 0.00 0.43 -0.07 0.00 -1.00 -1.53 -0.73 116.94 114.04 1q8i h PHE 499 Ca -0.03 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1q8i h PHE 499 Cb 1.14 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 40.59 1q8i h PHE 499 CO 0.00 0.14 0.04 -0.92 -1.61 0.00 0.00 178.31 175.96 1q8i h TYR 500 N 0.45 0.10 -0.83 -0.55 3.20 -1.83 -1.53 116.97 115.98 1q8i h TYR 500 Ca 0.29 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 1q8i h TYR 500 Cb 0.31 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 1q8i h TYR 500 CO -0.15 0.15 0.44 0.78 -1.64 0.00 0.00 178.16 177.74 1q8i h GLY 501 N 0.02 1.26 0.97 1.82 0.00 -1.72 -1.45 103.07 103.97 1q8i h GLY 501 Ca 0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1q8i h GLY 501 CO -0.00 0.56 -0.06 -2.08 0.00 0.00 0.00 176.54 174.96 1q8i h VAL 502 N 1.17 0.90 0.00 4.60 2.07 -0.87 -2.90 116.25 121.23 1q8i h VAL 502 Ca 0.29 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 1q8i h VAL 502 Cb 0.06 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1q8i h VAL 502 CO -0.04 0.02 -0.05 -0.07 0.02 0.00 0.00 177.57 177.44 1q8i h LEU 503 N -0.19 0.00 -0.71 2.57 3.38 -1.02 -2.98 115.31 116.36 1q8i h LEU 503 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1q8i h LEU 503 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1q8i h LEU 503 CO 0.03 0.05 -0.09 0.61 0.09 0.00 0.00 178.44 179.13 1q8i n GLY 504 N -1.04 -0.31 3.47 0.83 0.00 -0.57 -4.33 105.19 103.24 1q8i n GLY 504 Ca -0.02 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 1q8i n GLY 504 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1q8i s THR 505 N -2.19 3.19 -0.96 2.61 -1.32 -1.12 -4.98 115.64 110.86 1q8i s THR 505 Ca 0.34 -0.66 0.04 0.00 -1.21 0.00 0.00 61.69 60.20 1q8i s THR 505 Cb 0.20 -2.29 0.04 0.00 -1.51 0.00 0.00 72.50 68.95 1q8i s THR 505 CO 0.40 0.57 1.13 0.35 -2.21 0.00 0.00 174.62 174.87 1q8i n THR 506 N 2.65 1.74 0.38 5.08 -2.24 -1.26 -1.62 114.28 119.00 1q8i n THR 506 Ca -0.18 0.46 0.11 0.00 -2.27 0.00 0.00 64.05 62.17 1q8i n THR 506 Cb 0.52 -1.40 0.48 0.00 -2.10 0.00 0.00 70.33 67.83 1q8i n THR 506 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q8i n ALA 507 N -1.51 1.59 -2.72 6.98 0.00 -1.26 -4.38 120.51 119.20 1q8i n ALA 507 Ca 0.01 0.08 -0.36 0.00 0.00 0.00 0.00 53.44 53.17 1q8i n ALA 507 Cb 0.04 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.05 1q8i n ALA 507 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q8i h ARG 509 N 6.81 0.00 -0.16 0.00 0.11 -1.87 -0.89 114.38 118.38 1q8i h ARG 509 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 1q8i h ARG 509 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1q8i h ARG 509 CO 0.75 0.04 0.00 1.19 0.10 0.00 0.00 179.97 182.05 1q8i n PHE 510 N -3.39 0.21 -1.67 4.08 3.01 -1.26 -4.66 117.46 113.79 1q8i n PHE 510 Ca -0.02 -0.11 -0.46 0.00 1.01 0.00 0.00 57.45 57.88 1q8i n PHE 510 Cb 0.16 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.60 1q8i n PHE 510 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1q8i n PHE 511 N 0.07 2.17 -3.69 1.38 7.35 -0.34 -4.91 117.46 119.49 1q8i n PHE 511 Ca 0.13 0.38 -0.11 0.00 -0.76 0.00 0.00 57.45 57.09 1q8i n PHE 511 Cb 0.23 -2.48 -0.09 0.00 0.35 0.00 0.00 39.48 37.49 1q8i n PHE 511 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1q8i s ASP 512 N 0.52 -0.60 0.58 -2.13 2.15 -1.26 -4.80 116.67 111.13 1q8i s ASP 512 Ca 0.73 1.07 0.28 0.00 0.43 0.00 0.00 52.55 55.05 1q8i s ASP 512 Cb -0.67 1.00 1.54 0.00 -0.30 0.00 0.00 42.92 44.49 1q8i s ASP 512 CO 0.45 -0.20 2.01 -0.65 -0.17 0.00 0.00 175.17 176.62 1q8i h PRO 513 N 6.34 0.00 0.00 4.34 0.11 -1.91 -1.69 132.00 139.19 1q8i h PRO 513 Ca -0.32 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 1q8i h PRO 513 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1q8i h PRO 513 CO 0.22 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 177.91 1q8i h ARG 514 N 0.00 0.00 0.18 1.05 3.08 -1.95 -2.62 114.38 114.13 1q8i h ARG 514 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1q8i h ARG 514 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1q8i h ARG 514 CO -0.00 0.10 -0.09 -0.07 -1.07 0.00 0.00 179.97 178.84 1q8i h LEU 515 N 0.00 -0.21 -0.64 3.04 3.38 -1.66 -2.30 115.31 116.93 1q8i h LEU 515 Ca -0.00 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1q8i h LEU 515 Cb 0.57 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1q8i h LEU 515 CO 0.01 0.07 -0.35 0.00 0.09 0.00 0.00 178.44 178.27 1q8i h ALA 516 N -1.45 0.81 -0.73 1.53 0.00 -1.68 -2.48 119.26 115.26 1q8i h ALA 516 Ca -0.02 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.50 1q8i h ALA 516 Cb 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1q8i h ALA 516 CO 0.04 0.64 0.48 0.77 0.00 0.00 0.00 179.25 181.18 1q8i h SER 517 N 0.57 0.76 0.31 0.00 0.02 -1.61 0.55 113.55 114.16 1q8i h SER 517 Ca 0.06 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 1q8i h SER 517 Cb 0.87 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1q8i h SER 517 CO 0.08 0.53 -0.42 0.28 -1.14 0.00 0.00 176.83 176.15 1q8i h SER 518 N 0.89 0.16 0.21 3.07 0.02 -1.10 -0.88 113.55 115.92 1q8i h SER 518 Ca 0.29 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1q8i h SER 518 Cb 0.05 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1q8i h SER 518 CO -0.08 0.57 -0.10 0.40 -1.14 0.00 0.00 176.83 176.48 1q8i h ILE 519 N 0.13 0.79 -0.28 3.27 2.04 -0.89 -3.13 117.51 119.44 1q8i h ILE 519 Ca 0.01 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1q8i h ILE 519 Cb 0.81 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1q8i h ILE 519 CO 0.06 0.18 0.19 0.74 0.00 0.00 0.00 178.15 179.32 1q8i h THR 520 N -0.83 1.08 -0.00 -0.27 2.02 -0.88 -1.66 112.91 112.37 1q8i h THR 520 Ca -0.03 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 66.90 1q8i h THR 520 Cb 0.52 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1q8i h THR 520 CO 0.05 0.08 -0.46 0.24 0.37 0.00 0.00 175.52 175.79 1q8i h MET 521 N 0.38 0.01 -0.38 6.66 2.86 -1.31 -2.33 114.93 120.82 1q8i h MET 521 Ca 0.10 -0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.58 1q8i h MET 521 Cb -0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1q8i h MET 521 CO -0.02 0.47 -0.38 -0.09 1.06 0.00 0.00 176.91 177.94 1q8i h ARG 522 N 0.01 0.91 -0.72 1.72 9.65 -1.45 -2.51 114.38 121.99 1q8i h ARG 522 Ca -0.00 -0.48 0.12 0.00 -1.10 0.00 0.00 59.98 58.52 1q8i h ARG 522 Cb 0.82 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.34 1q8i h ARG 522 CO 0.06 1.13 0.31 0.78 2.80 0.00 0.00 179.97 185.04 1q8i h GLY 523 N 0.81 1.07 0.98 2.80 0.00 -1.03 0.53 103.07 108.22 1q8i h GLY 523 Ca 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.23 1q8i h GLY 523 CO 0.09 -0.03 0.13 0.45 0.00 0.00 0.00 176.54 177.18 1q8i h HIS 524 N 0.49 0.25 -0.66 5.60 3.86 -1.33 0.07 115.15 123.43 1q8i h HIS 524 Ca 0.38 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.58 1q8i h HIS 524 Cb 0.50 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 1q8i h HIS 524 CO -0.15 0.15 0.35 0.37 0.86 0.00 0.00 177.93 179.52 1q8i h GLN 525 N 0.27 0.93 -0.58 2.45 4.15 -1.09 0.09 115.11 121.33 1q8i h GLN 525 Ca 0.08 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 1q8i h GLN 525 Cb -0.02 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.47 1q8i h GLN 525 CO -0.03 0.71 0.24 0.82 -1.93 0.00 0.00 178.83 178.64 1q8i h ILE 526 N 0.90 1.23 -0.47 2.39 2.04 -0.39 -0.41 117.51 122.80 1q8i h ILE 526 Ca 0.23 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 1q8i h ILE 526 Cb 0.06 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1q8i h ILE 526 CO -0.03 0.27 0.06 0.24 0.00 0.00 0.00 178.15 178.68 1q8i h MET 527 N 0.80 0.80 -0.04 2.37 2.86 -0.75 -0.29 114.93 120.68 1q8i h MET 527 Ca 0.19 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1q8i h MET 527 Cb 0.20 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1q8i h MET 527 CO -0.02 0.82 -0.03 0.00 1.06 0.00 0.00 176.91 178.74 1q8i h ARG 528 N 0.66 -0.03 -0.48 1.72 3.08 -0.78 -1.83 114.38 116.72 1q8i h ARG 528 Ca 0.14 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1q8i h ARG 528 Cb 0.42 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1q8i h ARG 528 CO 0.01 -0.02 0.24 0.37 -1.07 0.00 0.00 179.97 179.50 1q8i h GLN 529 N -0.03 0.67 -0.49 0.04 5.75 -0.96 -2.44 115.11 117.65 1q8i h GLN 529 Ca 0.03 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 1q8i h GLN 529 Cb 0.07 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 1q8i h GLN 529 CO -0.06 0.52 0.14 1.15 -2.65 0.00 0.00 178.83 177.93 1q8i h THR 530 N 0.68 1.23 -0.62 2.39 2.02 -0.76 -0.34 112.91 117.52 1q8i h THR 530 Ca 0.17 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.58 1q8i h THR 530 Cb 0.06 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 1q8i h THR 530 CO -0.02 0.29 0.39 0.50 0.37 0.00 0.00 175.52 177.05 1q8i h LYS 531 N 0.67 0.77 -0.50 6.66 3.64 -1.10 -1.23 116.57 125.47 1q8i h LYS 531 Ca 0.16 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1q8i h LYS 531 Cb 0.29 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1q8i h LYS 531 CO -0.00 0.51 0.18 0.00 -2.27 0.00 0.00 179.45 177.87 1q8i h ALA 532 N 1.25 0.65 -0.84 5.00 0.00 -0.99 -1.37 119.26 122.95 1q8i h ALA 532 Ca 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1q8i h ALA 532 Cb -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1q8i h ALA 532 CO -0.08 0.28 0.52 -0.07 0.00 0.00 0.00 179.25 179.90 1q8i h LEU 533 N 0.67 0.99 -0.30 0.00 3.38 -0.80 -0.65 115.31 118.60 1q8i h LEU 533 Ca 0.16 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1q8i h LEU 533 Cb 0.23 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1q8i h LEU 533 CO -0.01 0.75 -0.35 0.40 0.09 0.00 0.00 178.44 179.33 1q8i h ILE 534 N 1.15 1.29 -0.53 1.22 2.04 -1.04 -2.61 117.51 119.03 1q8i h ILE 534 Ca 0.30 -1.53 -0.04 0.00 1.00 0.00 0.00 64.86 64.59 1q8i h ILE 534 Cb -0.07 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1q8i h ILE 534 CO -0.06 0.49 0.15 -0.33 0.00 0.00 0.00 178.15 178.41 1q8i h GLU 535 N 0.54 0.79 0.00 2.37 5.08 -1.14 -1.04 114.58 121.18 1q8i h GLU 535 Ca 0.04 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1q8i h GLU 535 Cb 0.93 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1q8i h GLU 535 CO 0.08 0.70 -0.08 0.00 -1.00 0.00 0.00 179.01 178.71 1q8i h ALA 536 N 1.40 1.47 -0.00 3.43 0.00 -0.87 -0.90 119.26 123.79 1q8i h ALA 536 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1q8i h ALA 536 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1q8i h ALA 536 CO -0.01 0.10 -0.03 1.04 0.00 0.00 0.00 179.25 180.35 1q8i n GLN 537 N -3.86 1.07 0.00 0.00 1.13 -0.40 -4.90 117.38 110.41 1q8i n GLN 537 Ca -0.02 -0.31 0.00 0.00 -1.94 0.00 0.00 57.00 54.73 1q8i n GLN 537 Cb 0.17 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.03 1q8i n GLN 537 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1q8i n GLY 538 N 1.13 0.90 3.84 1.08 0.00 -0.34 -5.10 105.19 106.70 1q8i n GLY 538 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1q8i n GLY 538 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1q8i s TYR 539 N -2.00 2.68 -0.13 1.61 1.51 -1.20 -4.97 117.35 114.85 1q8i s TYR 539 Ca 0.00 -0.52 -0.03 0.00 -1.01 0.00 0.00 57.07 55.52 1q8i s TYR 539 Cb 0.00 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 1q8i s TYR 539 CO 0.00 -0.03 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.86 1q8i s ASP 540 N -4.06 4.81 -0.22 2.29 1.11 -1.14 -3.99 116.67 115.46 1q8i s ASP 540 Ca 0.46 -0.09 -0.15 0.00 0.18 0.00 0.00 52.55 52.95 1q8i s ASP 540 Cb -0.01 -1.65 -0.04 0.00 1.07 0.00 0.00 42.92 42.29 1q8i s ASP 540 CO 0.26 0.22 0.38 -0.69 1.18 0.00 0.00 175.17 176.52 1q8i s VAL 541 N 0.04 5.20 -0.61 -1.27 1.01 -1.26 -0.34 120.40 123.18 1q8i s VAL 541 Ca 0.00 0.64 0.16 0.00 0.00 0.00 0.00 61.98 62.78 1q8i s VAL 541 Cb -0.13 -3.71 -0.19 0.00 0.00 0.00 0.00 36.38 32.35 1q8i s VAL 541 CO 0.03 0.23 0.61 2.30 0.00 0.00 0.00 175.10 178.27 1q8i n ILE 542 N 4.55 0.00 -3.52 2.22 -5.35 -0.13 -4.91 119.36 112.22 1q8i n ILE 542 Ca -0.09 -0.17 -0.10 0.00 -0.27 0.00 0.00 62.75 62.12 1q8i n ILE 542 Cb 0.51 0.83 -0.03 0.00 -1.74 0.00 0.00 39.64 39.21 1q8i n ILE 542 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1q8i s TYR 543 N -2.63 -0.38 -0.25 4.28 5.04 -1.23 -1.12 117.35 121.06 1q8i s TYR 543 Ca 0.04 0.39 -0.26 0.00 -2.44 0.00 0.00 57.07 54.80 1q8i s TYR 543 Cb 0.12 0.51 0.08 0.00 0.35 0.00 0.00 41.96 43.01 1q8i s TYR 543 CO 0.66 -0.50 0.77 0.20 -1.34 0.00 0.00 175.55 175.33 1q8i s GLY 544 N -2.03 -0.48 0.00 8.97 0.00 -1.26 -0.91 107.32 111.61 1q8i s GLY 544 Ca 0.02 2.06 0.00 0.00 0.00 0.00 0.00 44.72 46.80 1q8i s GLY 544 CO -0.05 1.67 0.00 2.09 0.00 0.00 0.00 173.10 176.81 1q8i n ASP 545 N 2.41 0.00 -0.25 1.64 5.68 -0.49 -2.20 116.55 123.34 1q8i n ASP 545 Ca -0.14 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.13 1q8i n ASP 545 Cb 0.55 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.64 1q8i n ASP 545 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1q8i h THR 546 N 0.00 1.01 0.00 2.12 2.02 -1.82 -3.36 112.91 112.89 1q8i h THR 546 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1q8i h THR 546 Cb 0.00 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 1q8i h THR 546 CO 0.00 0.14 0.00 -0.90 0.37 0.00 0.00 175.52 175.13 1q8i n ASP 547 N -4.72 0.00 -4.25 4.18 5.68 -1.26 -4.65 116.55 111.53 1q8i n ASP 547 Ca 0.09 -1.00 -0.27 0.00 -0.50 0.00 0.00 54.79 53.12 1q8i n ASP 547 Cb 0.16 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 39.99 1q8i n ASP 547 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1q8i s SER 548 N 0.00 2.52 -0.06 -1.12 0.01 -1.26 -1.10 113.70 112.69 1q8i s SER 548 Ca 0.00 -0.47 0.05 0.00 1.31 0.00 0.00 55.95 56.84 1q8i s SER 548 Cb 0.00 -0.24 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 1q8i s SER 548 CO 0.00 0.21 -0.22 -0.89 0.41 0.00 0.00 173.24 172.75 1q8i s THR 549 N -0.67 1.81 -0.28 1.44 2.01 0.20 -1.40 115.64 118.75 1q8i s THR 549 Ca 0.08 -0.92 -0.08 0.00 0.31 0.00 0.00 61.69 61.08 1q8i s THR 549 Cb -0.09 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 1q8i s THR 549 CO 0.01 0.51 0.09 -0.36 -0.69 0.00 0.00 174.62 174.18 1q8i s PHE 550 N 0.02 3.13 -0.25 4.92 0.40 -0.08 -1.12 117.98 125.00 1q8i s PHE 550 Ca -0.07 -0.70 -0.03 0.00 -0.60 0.00 0.00 56.93 55.54 1q8i s PHE 550 Cb -0.14 -2.27 0.01 0.00 0.51 0.00 0.00 43.02 41.13 1q8i s PHE 550 CO 0.04 -0.48 -0.03 0.08 0.70 0.00 0.00 175.22 175.53 1q8i s VAL 551 N 1.57 3.23 -0.07 -0.44 1.01 0.82 -0.95 120.40 125.56 1q8i s VAL 551 Ca 0.04 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 60.99 1q8i s VAL 551 Cb -0.16 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1q8i s VAL 551 CO 0.04 0.26 0.85 0.86 0.00 0.00 0.00 175.10 177.11 1q8i s TRP 552 N 1.41 3.56 -1.62 5.22 -0.00 0.54 -0.76 118.94 127.30 1q8i s TRP 552 Ca 0.03 1.43 0.00 0.00 -0.00 0.00 0.00 56.10 57.56 1q8i s TRP 552 Cb -0.16 -2.99 0.01 0.00 -0.00 0.00 0.00 33.47 30.33 1q8i s TRP 552 CO -0.03 -0.05 0.83 1.28 -0.00 0.00 0.00 176.95 178.98 1q8i n LEU 553 N 4.26 0.44 -1.36 5.86 4.77 -0.78 -2.88 117.00 127.32 1q8i n LEU 553 Ca 0.03 -0.22 -0.18 0.00 -0.03 0.00 0.00 56.01 55.62 1q8i n LEU 553 Cb 0.50 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 1q8i n LEU 553 CO 0.49 0.10 -0.17 0.29 -1.33 0.00 0.00 177.39 176.78 1q8i n LYS 554 N -0.29 -1.44 0.00 3.23 4.76 -1.26 -4.84 118.16 118.32 1q8i n LYS 554 Ca 0.00 1.12 0.00 0.00 -2.87 0.00 0.00 58.31 56.56 1q8i n LYS 554 Cb 0.10 -5.47 0.00 0.00 -1.84 0.00 0.00 35.03 27.82 1q8i n LYS 554 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q8i n GLY 555 N -0.38 2.05 3.70 0.72 0.00 -1.26 -5.11 105.19 104.91 1q8i n GLY 555 Ca -0.18 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 1q8i n GLY 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q8i s ALA 556 N -2.00 3.66 0.14 4.61 0.00 -1.26 -4.43 121.76 122.49 1q8i s ALA 556 Ca 0.00 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.19 1q8i s ALA 556 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1q8i s ALA 556 CO 0.00 -0.94 -0.22 -1.01 0.00 0.00 0.00 175.76 173.58 1q8i s HIS 557 N 2.17 2.01 0.87 0.00 3.76 -1.26 -5.04 115.29 117.79 1q8i s HIS 557 Ca 0.69 -0.41 -0.11 0.00 -0.15 0.00 0.00 55.06 55.08 1q8i s HIS 557 Cb -0.38 -1.05 0.12 0.00 1.11 0.00 0.00 32.58 32.38 1q8i s HIS 557 CO 0.30 0.32 1.15 -1.54 -0.85 0.00 0.00 174.74 174.13 1q8i s SER 558 N -2.28 3.30 0.22 1.40 1.04 -1.26 -4.76 113.70 111.35 1q8i s SER 558 Ca 0.13 2.18 -0.06 0.00 0.48 0.00 0.00 55.95 58.68 1q8i s SER 558 Cb -0.09 -2.57 0.19 0.00 0.10 0.00 0.00 66.02 63.65 1q8i s SER 558 CO 0.06 -2.85 1.68 -0.33 0.98 0.00 0.00 173.24 172.78 1q8i h GLU 559 N -1.54 0.91 -0.42 4.02 4.39 -1.99 -0.00 114.58 119.95 1q8i h GLU 559 Ca -0.44 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 58.95 1q8i h GLU 559 Cb 1.27 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 1q8i h GLU 559 CO 0.44 0.94 0.18 1.49 -1.16 0.00 0.00 179.01 180.90 1q8i h GLU 560 N 0.83 0.62 -0.20 2.33 4.81 -2.00 -2.12 114.58 118.85 1q8i h GLU 560 Ca 0.15 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1q8i h GLU 560 Cb 0.57 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1q8i h GLU 560 CO 0.03 0.56 -0.08 1.49 -0.73 0.00 0.00 179.01 180.29 1q8i h GLU 561 N 0.53 0.40 -0.48 1.92 4.57 -1.90 -2.20 114.58 117.42 1q8i h GLU 561 Ca 0.14 -0.17 0.08 0.00 -1.18 0.00 0.00 59.36 58.23 1q8i h GLU 561 Cb 0.16 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.67 1q8i h GLU 561 CO -0.01 0.68 0.09 0.00 -1.18 0.00 0.00 179.01 178.58 1q8i h ALA 562 N 0.71 0.52 -0.75 2.92 0.00 -0.94 -0.89 119.26 120.84 1q8i h ALA 562 Ca 0.05 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1q8i h ALA 562 Cb 0.55 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1q8i h ALA 562 CO 0.03 -0.32 0.23 0.00 0.00 0.00 0.00 179.25 179.18 1q8i h ALA 563 N 1.37 0.99 -0.31 0.00 0.00 -1.30 0.12 119.26 120.12 1q8i h ALA 563 Ca 0.24 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1q8i h ALA 563 Cb 0.32 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1q8i h ALA 563 CO -0.32 0.67 0.11 0.87 0.00 0.00 0.00 179.25 180.58 1q8i h LYS 564 N 1.11 0.24 -0.42 0.00 1.57 -0.90 -1.17 116.57 117.00 1q8i h LYS 564 Ca 0.24 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1q8i h LYS 564 Cb 0.32 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1q8i h LYS 564 CO -0.01 0.16 0.26 0.82 -0.57 0.00 0.00 179.45 180.11 1q8i h ILE 565 N 0.25 1.13 -0.19 1.86 2.04 -0.87 -1.79 117.51 119.94 1q8i h ILE 565 Ca 0.14 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.74 1q8i h ILE 565 Cb 0.11 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1q8i h ILE 565 CO -0.14 0.13 -0.01 1.23 0.00 0.00 0.00 178.15 179.36 1q8i h GLY 566 N 0.56 0.17 1.03 5.37 0.00 -0.66 0.37 103.07 109.92 1q8i h GLY 566 Ca 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 1q8i h GLY 566 CO -0.03 -0.05 0.36 3.21 0.00 0.00 0.00 176.54 180.03 1q8i h ARG 567 N 0.04 1.14 -0.38 4.80 3.08 -1.15 -2.03 114.38 119.88 1q8i h ARG 567 Ca 0.09 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 1q8i h ARG 567 Cb 0.12 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1q8i h ARG 567 CO -0.17 0.90 -0.23 0.00 -1.07 0.00 0.00 179.97 179.40 1q8i h ALA 568 N 1.19 0.55 -0.63 0.04 0.00 -0.98 -1.74 119.26 117.68 1q8i h ALA 568 Ca 0.27 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1q8i h ALA 568 Cb 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1q8i h ALA 568 CO -0.03 0.53 0.39 -0.07 0.00 0.00 0.00 179.25 180.06 1q8i h LEU 569 N 0.64 0.76 -0.66 0.00 3.38 -0.77 -1.96 115.31 116.69 1q8i h LEU 569 Ca 0.08 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1q8i h LEU 569 Cb 0.79 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1q8i h LEU 569 CO 0.06 0.59 -0.38 -0.37 0.09 0.00 0.00 178.44 178.43 1q8i h VAL 570 N 0.86 1.29 -0.77 1.22 -1.51 -1.26 -2.18 116.25 113.91 1q8i h VAL 570 Ca 0.23 -1.54 -0.05 0.00 -1.23 0.00 0.00 66.70 64.11 1q8i h VAL 570 Cb -0.03 1.50 -0.03 0.00 -2.13 0.00 0.00 31.29 30.59 1q8i h VAL 570 CO -0.04 0.49 0.28 -0.61 -1.23 0.00 0.00 177.57 176.46 1q8i h GLN 571 N 0.51 1.16 -0.02 5.19 -0.00 -1.23 -0.54 115.11 120.17 1q8i h GLN 571 Ca 0.05 -0.22 -0.00 0.00 -0.00 0.00 0.00 58.65 58.48 1q8i h GLN 571 Cb 0.89 -0.18 -0.00 0.00 0.00 0.00 0.00 27.48 28.18 1q8i h GLN 571 CO 0.08 0.95 0.01 1.25 0.00 0.00 0.00 178.83 181.12 1q8i h HIS 572 N 1.12 0.03 -0.55 3.99 2.76 -1.25 -1.43 115.15 119.82 1q8i h HIS 572 Ca 0.25 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.40 1q8i h HIS 572 Cb 0.24 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 1q8i h HIS 572 CO 0.02 0.18 0.26 0.28 -1.30 0.00 0.00 177.93 177.37 1q8i h VAL 573 N -0.13 1.20 -0.57 5.26 2.07 -1.28 0.19 116.25 123.00 1q8i h VAL 573 Ca 0.01 -0.58 -0.10 0.00 0.82 0.00 0.00 66.70 66.85 1q8i h VAL 573 Cb 0.16 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1q8i h VAL 573 CO -0.00 0.23 -0.02 0.78 0.02 0.00 0.00 177.57 178.58 1q8i h ASN 574 N 0.75 1.00 -0.58 0.57 2.35 -1.03 -1.41 115.58 117.23 1q8i h ASN 574 Ca 0.19 -0.29 -0.09 0.00 -0.55 0.00 0.00 56.30 55.56 1q8i h ASN 574 Cb 0.12 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1q8i h ASN 574 CO -0.02 1.06 -0.00 0.00 -1.65 0.00 0.00 177.43 176.82 1q8i h ALA 575 N 1.03 0.78 -0.47 -0.83 0.00 -1.07 -2.16 119.26 116.55 1q8i h ALA 575 Ca 0.16 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1q8i h ALA 575 Cb 0.57 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1q8i h ALA 575 CO 0.03 0.62 0.31 2.35 0.00 0.00 0.00 179.25 182.56 1q8i h TRP 576 N 0.92 0.59 -0.37 0.00 7.01 -0.55 -1.00 115.95 122.55 1q8i h TRP 576 Ca 0.16 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.17 1q8i h TRP 576 Cb 0.55 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.40 1q8i h TRP 576 CO 0.04 0.37 0.21 -1.49 -2.79 0.00 0.00 178.44 174.78 1q8i h TRP 577 N 0.63 0.49 -0.24 2.65 4.06 -1.18 -0.20 115.95 122.16 1q8i h TRP 577 Ca 0.17 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 61.16 1q8i h TRP 577 Cb -0.07 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 27.89 1q8i h TRP 577 CO -0.04 0.37 0.01 0.00 -3.56 0.00 0.00 178.44 175.21 1q8i h ALA 578 N 1.08 0.22 -0.29 1.49 0.00 -1.10 -0.80 119.26 119.86 1q8i h ALA 578 Ca 0.13 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1q8i h ALA 578 Cb 0.03 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1q8i h ALA 578 CO -0.02 -0.41 -0.14 0.93 0.00 0.00 0.00 179.25 179.61 1q8i h GLU 579 N 0.09 0.61 -0.08 0.00 4.39 -1.04 -2.53 114.58 116.01 1q8i h GLU 579 Ca 0.11 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 1q8i h GLU 579 Cb 0.14 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1q8i h GLU 579 CO -0.18 0.84 0.05 1.15 -1.16 0.00 0.00 179.01 179.70 1q8i h THR 580 N 0.36 1.08 0.00 1.13 2.02 -0.93 -3.05 112.91 113.52 1q8i h THR 580 Ca 0.07 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 1q8i h THR 580 Cb 0.65 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1q8i h THR 580 CO 0.04 0.07 -0.36 -0.07 0.37 0.00 0.00 175.52 175.57 1q8i h LEU 581 N 0.05 0.00 -1.74 2.58 3.38 -1.19 -2.14 115.31 116.25 1q8i h LEU 581 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1q8i h LEU 581 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1q8i h LEU 581 CO -0.00 0.36 0.18 -0.61 0.09 0.00 0.00 178.44 178.45 1q8i h GLN 582 N 0.00 0.35 -0.26 1.13 4.15 -1.33 -1.00 115.11 118.15 1q8i h GLN 582 Ca -0.00 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.47 1q8i h GLN 582 Cb 0.81 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 1q8i h GLN 582 CO 0.05 0.23 0.30 0.87 -1.93 0.00 0.00 178.83 178.35 1q8i h LYS 583 N 0.36 0.00 -0.51 1.69 1.57 -1.41 -0.00 116.57 118.26 1q8i h LYS 583 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1q8i h LYS 583 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1q8i h LYS 583 CO -0.02 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.90 1q8i n GLN 584 N -3.70 3.87 -2.90 3.15 6.02 -0.47 -4.94 117.38 118.42 1q8i n GLN 584 Ca 0.03 -2.91 -0.20 0.00 -0.01 0.00 0.00 57.00 53.92 1q8i n GLN 584 Cb 0.44 -1.96 0.01 0.00 1.02 0.00 0.00 30.24 29.75 1q8i n GLN 584 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1q8i n ARG 585 N 0.54 -3.32 -4.13 -1.09 1.74 -0.02 -5.01 116.66 105.37 1q8i n ARG 585 Ca 0.24 0.70 -0.26 0.00 -0.77 0.00 0.00 57.85 57.76 1q8i n ARG 585 Cb 0.96 -5.42 -0.06 0.00 -1.02 0.00 0.00 32.46 26.92 1q8i n ARG 585 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1q8i s LEU 586 N -6.26 3.60 -0.26 0.55 1.43 -0.66 -5.01 118.68 112.08 1q8i s LEU 586 Ca 0.22 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1q8i s LEU 586 Cb -0.11 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.89 1q8i s LEU 586 CO 0.27 0.08 0.01 -0.89 0.23 0.00 0.00 176.35 176.04 1q8i s THR 587 N -1.75 3.49 0.08 5.49 2.01 -1.26 -3.35 115.64 120.35 1q8i s THR 587 Ca 0.30 -0.74 -0.31 0.00 0.31 0.00 0.00 61.69 61.24 1q8i s THR 587 Cb -0.10 -2.74 -0.08 0.00 0.01 0.00 0.00 72.50 69.60 1q8i s THR 587 CO 0.21 0.20 1.44 -0.55 -0.69 0.00 0.00 174.62 175.24 1q8i s SER 588 N 1.44 6.78 0.00 3.53 0.15 -1.26 -4.59 113.70 119.75 1q8i s SER 588 Ca 0.03 2.32 0.14 0.00 0.70 0.00 0.00 55.95 59.13 1q8i s SER 588 Cb -0.16 -2.58 0.19 0.00 -1.71 0.00 0.00 66.02 61.76 1q8i s SER 588 CO -0.01 -0.72 1.05 0.00 1.20 0.00 0.00 173.24 174.76 1q8i n ALA 589 N 4.54 2.41 -1.80 5.45 0.00 -1.26 -4.94 120.51 124.91 1q8i n ALA 589 Ca 0.13 -0.76 -0.41 0.00 0.00 0.00 0.00 53.44 52.39 1q8i n ALA 589 Cb 0.42 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 1q8i n ALA 589 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q8i s LEU 590 N -1.13 4.36 -0.35 0.00 1.43 -1.26 -4.88 118.68 116.84 1q8i s LEU 590 Ca 0.20 2.87 0.01 0.00 -1.03 0.00 0.00 54.13 56.19 1q8i s LEU 590 Cb 0.13 -3.63 0.15 0.00 0.03 0.00 0.00 46.19 42.86 1q8i s LEU 590 CO 0.18 -0.85 0.31 -0.70 0.23 0.00 0.00 176.35 175.52 1q8i s GLU 591 N -0.60 0.54 0.22 1.70 2.12 -1.26 -4.91 118.70 116.51 1q8i s GLU 591 Ca 0.61 -0.85 -0.30 0.00 0.36 0.00 0.00 54.97 54.79 1q8i s GLU 591 Cb -0.46 -0.89 -0.09 0.00 0.26 0.00 0.00 34.13 32.95 1q8i s GLU 591 CO 0.48 -1.16 1.29 -1.17 -0.54 0.00 0.00 175.26 174.15 1q8i s LEU 592 N 1.52 4.43 0.09 2.70 2.96 -1.26 -0.55 118.68 128.57 1q8i s LEU 592 Ca 0.16 2.42 0.10 0.00 -0.22 0.00 0.00 54.13 56.59 1q8i s LEU 592 Cb -0.17 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1q8i s LEU 592 CO -0.09 -0.49 -0.25 -1.61 -1.32 0.00 0.00 176.35 172.60 1q8i s GLU 593 N -0.47 1.65 -0.30 1.98 2.02 0.21 -4.88 118.70 118.93 1q8i s GLU 593 Ca 0.54 -1.21 -0.26 0.00 0.02 0.00 0.00 54.97 54.06 1q8i s GLU 593 Cb -0.36 -1.99 0.01 0.00 0.10 0.00 0.00 34.13 31.88 1q8i s GLU 593 CO 0.40 0.48 0.90 -0.47 0.02 0.00 0.00 175.26 176.60 1q8i s TYR 594 N -0.98 3.21 -0.26 1.61 5.04 -1.26 -0.60 117.35 124.11 1q8i s TYR 594 Ca 0.14 1.02 -0.06 0.00 -2.44 0.00 0.00 57.07 55.74 1q8i s TYR 594 Cb -0.10 -3.34 -0.15 0.00 0.35 0.00 0.00 41.96 38.71 1q8i s TYR 594 CO 0.05 -0.60 -0.26 -1.91 -1.34 0.00 0.00 175.55 171.50 1q8i n GLU 595 N 6.39 0.63 -3.55 4.97 2.13 -0.26 -4.97 120.64 125.97 1q8i n GLU 595 Ca 0.07 0.21 -0.16 0.00 0.66 0.00 0.00 57.16 57.94 1q8i n GLU 595 Cb 0.48 -1.52 -0.06 0.00 0.27 0.00 0.00 31.44 30.60 1q8i n GLU 595 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1q8i s THR 596 N -2.51 0.00 -0.26 6.31 2.01 -1.16 -4.98 115.64 115.04 1q8i s THR 596 Ca -0.36 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 1q8i s THR 596 Cb 0.11 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.65 1q8i s THR 596 CO 0.56 0.00 -0.03 -2.28 -0.69 0.00 0.00 174.62 172.18 1q8i s HIS 597 N -0.75 3.11 -0.23 4.92 2.46 -1.26 -1.52 115.29 122.01 1q8i s HIS 597 Ca -0.07 -1.54 -0.18 0.00 0.47 0.00 0.00 55.06 53.74 1q8i s HIS 597 Cb -0.01 -2.09 -0.03 0.00 -0.13 0.00 0.00 32.58 30.32 1q8i s HIS 597 CO 0.07 -0.72 0.52 -0.06 -2.47 0.00 0.00 174.74 172.08 1q8i s PHE 598 N 1.33 3.31 0.05 3.88 0.08 0.00 -4.61 117.98 122.03 1q8i s PHE 598 Ca -0.00 0.70 0.24 0.00 0.12 0.00 0.00 56.93 57.99 1q8i s PHE 598 Cb -0.17 -2.70 0.83 0.00 -0.57 0.00 0.00 43.02 40.40 1q8i s PHE 598 CO -0.03 -0.20 1.78 0.00 -0.10 0.00 0.00 175.22 176.67 1q8i s ARG 600 N -3.54 0.64 -0.08 0.00 1.81 -1.18 -1.81 118.95 114.79 1q8i s ARG 600 Ca 0.02 -0.12 -0.04 0.00 -1.72 0.00 0.00 55.73 53.87 1q8i s ARG 600 Cb 0.09 -0.66 0.04 0.00 -0.45 0.00 0.00 34.95 33.98 1q8i s ARG 600 CO 0.64 -0.01 0.18 0.12 -0.68 0.00 0.00 175.30 175.55 1q8i s PHE 601 N 0.56 -0.22 -0.30 -0.53 5.36 -0.18 -0.40 117.98 122.26 1q8i s PHE 601 Ca -0.07 0.59 -0.07 0.00 -0.96 0.00 0.00 56.93 56.43 1q8i s PHE 601 Cb -0.10 -0.06 0.01 0.00 -0.34 0.00 0.00 43.02 42.54 1q8i s PHE 601 CO -0.00 -0.20 0.08 -1.17 -1.46 0.00 0.00 175.22 172.47 1q8i s LEU 602 N 1.30 3.92 -0.42 6.12 2.96 0.60 0.20 118.68 133.36 1q8i s LEU 602 Ca -0.08 -0.79 -0.16 0.00 -0.22 0.00 0.00 54.13 52.88 1q8i s LEU 602 Cb -0.11 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.73 1q8i s LEU 602 CO -0.07 -0.21 0.38 -0.32 -1.32 0.00 0.00 176.35 174.81 1q8i s MET 603 N 1.48 3.04 1.02 1.98 -2.45 0.57 -2.38 119.30 122.56 1q8i s MET 603 Ca 0.02 -0.90 -0.15 0.00 -1.25 0.00 0.00 55.69 53.41 1q8i s MET 603 Cb -0.18 -3.98 0.20 0.00 1.25 0.00 0.00 34.83 32.12 1q8i s MET 603 CO 0.02 -0.82 1.14 -2.14 1.05 0.00 0.00 175.02 174.27 1q8i s PRO 604 N 1.93 0.22 -0.31 4.11 0.02 -1.26 -0.60 135.00 139.09 1q8i s PRO 604 Ca 0.09 0.15 -0.29 0.00 0.02 0.00 0.00 61.00 60.97 1q8i s PRO 604 Cb -0.18 -1.74 0.01 0.00 0.02 0.00 0.00 34.50 32.61 1q8i s PRO 604 CO 0.12 -2.80 1.13 0.99 -0.33 0.00 0.00 177.00 176.11 1q8i s THR 605 N -3.20 4.42 -0.03 0.99 2.01 -1.26 -4.44 115.64 114.13 1q8i s THR 605 Ca 0.67 1.64 0.06 0.00 0.31 0.00 0.00 61.69 64.37 1q8i s THR 605 Cb -0.13 -4.36 -0.01 0.00 0.01 0.00 0.00 72.50 68.01 1q8i s THR 605 CO 0.55 -0.48 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.17 1q8i s ILE 606 N 3.80 1.60 -0.03 1.82 1.01 -1.26 -5.01 121.20 123.13 1q8i s ILE 606 Ca 0.48 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1q8i s ILE 606 Cb -0.13 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 41.00 1q8i s ILE 606 CO 0.17 0.45 -0.07 -0.13 0.00 0.00 0.00 174.94 175.36 1q8i s ARG 607 N -0.27 0.86 0.10 2.79 3.00 -1.26 -1.63 118.95 122.54 1q8i s ARG 607 Ca 0.03 -0.23 0.08 0.00 0.00 0.00 0.00 55.73 55.60 1q8i s ARG 607 Cb -0.10 -0.82 0.41 0.00 0.00 0.00 0.00 34.95 34.45 1q8i s ARG 607 CO 0.01 0.06 1.25 0.41 0.00 0.00 0.00 175.30 177.03 1q8i n GLY 608 N 3.45 -0.68 0.39 -3.53 0.00 -1.26 -3.52 105.19 100.03 1q8i n GLY 608 Ca -0.20 0.05 0.24 0.00 0.00 0.00 0.00 46.02 46.12 1q8i n GLY 608 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q8i h ALA 609 N 2.06 2.15 -2.67 4.61 0.00 -1.97 -3.44 119.26 120.00 1q8i h ALA 609 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1q8i h ALA 609 Cb 0.04 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 17.78 1q8i h ALA 609 CO 0.00 -0.66 0.28 -0.51 0.00 0.00 0.00 179.25 178.36 1q8i s ASP 610 N -5.04 -0.53 -0.45 0.00 1.11 -1.23 -5.07 116.67 105.46 1q8i s ASP 610 Ca -0.09 0.10 -0.02 0.00 0.18 0.00 0.00 52.55 52.72 1q8i s ASP 610 Cb 0.28 0.54 0.19 0.00 1.07 0.00 0.00 42.92 44.99 1q8i s ASP 610 CO 0.80 -0.83 2.34 0.35 1.18 0.00 0.00 175.17 179.01 1q8i n THR 611 N -0.15 3.16 0.35 -1.27 -2.24 -1.26 -4.15 114.28 108.72 1q8i n THR 611 Ca -0.15 -2.54 0.12 0.00 -2.27 0.00 0.00 64.05 59.20 1q8i n THR 611 Cb 0.63 -1.42 0.05 0.00 -2.10 0.00 0.00 70.33 67.50 1q8i n THR 611 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q8i n GLY 612 N 0.36 -1.38 3.13 3.38 0.00 -1.26 -4.88 105.19 104.54 1q8i n GLY 612 Ca 0.43 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1q8i n GLY 612 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q8i s SER 613 N -4.65 -0.27 0.00 1.61 1.04 -1.26 -5.16 113.70 105.02 1q8i s SER 613 Ca 0.02 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1q8i s SER 613 Cb 0.12 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1q8i s SER 613 CO 0.78 -0.10 0.00 0.29 0.98 0.00 0.00 173.24 175.19 1q8i n LYS 614 N 3.07 1.81 -1.67 4.02 5.02 -1.26 -4.98 118.16 124.17 1q8i n LYS 614 Ca -0.14 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.71 1q8i n LYS 614 Cb 0.58 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.55 1q8i n LYS 614 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1q8i n LYS 615 N 0.00 2.66 -4.31 1.97 5.02 -1.26 -4.96 118.16 117.27 1q8i n LYS 615 Ca 0.00 0.97 -0.22 0.00 -2.02 0.00 0.00 58.31 57.04 1q8i n LYS 615 Cb 0.00 -2.89 -0.16 0.00 -0.02 0.00 0.00 35.03 31.96 1q8i n LYS 615 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1q8i s ARG 616 N 4.00 1.17 0.00 1.97 0.52 -1.26 -3.23 118.95 122.12 1q8i s ARG 616 Ca 0.89 -0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.87 1q8i s ARG 616 Cb -0.52 -1.06 0.00 0.00 0.52 0.00 0.00 34.95 33.89 1q8i s ARG 616 CO 0.44 -0.04 0.00 2.48 0.02 0.00 0.00 175.30 178.19 1q8i n TYR 617 N 3.98 0.00 -3.87 -0.53 0.18 -0.75 -4.34 117.16 111.84 1q8i n TYR 617 Ca -0.24 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.43 1q8i n TYR 617 Cb 0.51 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.37 1q8i n TYR 617 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1q8i s ALA 618 N -2.00 -0.34 0.23 -3.48 0.00 -1.00 -1.32 121.76 113.86 1q8i s ALA 618 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.63 1q8i s ALA 618 Cb 0.00 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.26 1q8i s ALA 618 CO 0.00 -0.21 0.79 0.20 0.00 0.00 0.00 175.76 176.54 1q8i s GLY 619 N -1.35 -0.16 -0.12 0.00 0.00 -0.89 -0.30 107.32 104.51 1q8i s GLY 619 Ca -0.14 -0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.46 1q8i s GLY 619 CO 0.02 -0.05 -0.19 -2.27 0.00 0.00 0.00 173.10 170.61 1q8i s LEU 620 N -2.91 2.34 -0.16 0.66 2.96 0.46 -1.07 118.68 120.96 1q8i s LEU 620 Ca 0.11 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.50 1q8i s LEU 620 Cb -0.04 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1q8i s LEU 620 CO 0.05 0.15 0.00 -0.63 -1.32 0.00 0.00 176.35 174.60 1q8i s ILE 621 N 0.40 4.28 -0.38 6.68 1.01 -0.09 -0.92 121.20 132.17 1q8i s ILE 621 Ca -0.15 -0.22 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 1q8i s ILE 621 Cb -0.17 -2.89 0.01 0.00 0.01 0.00 0.00 42.46 39.42 1q8i s ILE 621 CO 0.07 0.50 0.37 -1.58 0.00 0.00 0.00 174.94 174.29 1q8i s GLN 622 N 0.18 3.27 -0.35 2.79 2.00 -1.26 -1.99 119.66 124.30 1q8i s GLN 622 Ca 0.01 -0.68 0.02 0.00 -2.00 0.00 0.00 55.36 52.71 1q8i s GLN 622 Cb -0.13 -3.90 0.10 0.00 0.80 0.00 0.00 33.01 29.88 1q8i s GLN 622 CO 0.02 -0.68 0.08 -1.21 -0.50 0.00 0.00 175.29 172.99 1q8i s GLU 623 N 1.97 1.67 7.03 1.67 2.02 -0.00 -5.02 118.70 128.04 1q8i s GLU 623 Ca 0.10 -1.82 0.00 0.00 0.02 0.00 0.00 54.97 53.27 1q8i s GLU 623 Cb -0.17 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.77 1q8i s GLU 623 CO 0.12 -0.95 0.00 0.41 0.02 0.00 0.00 175.26 174.86 1q8i n GLY 624 N 4.36 2.85 0.61 -1.39 0.00 -1.26 -1.60 105.19 108.75 1q8i n GLY 624 Ca 0.01 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.85 1q8i n GLY 624 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q8i n ASP 625 N 4.26 1.83 -4.78 1.61 5.75 -1.26 -4.89 116.55 119.07 1q8i n ASP 625 Ca 0.00 -1.72 -0.23 0.00 -0.01 0.00 0.00 54.79 52.83 1q8i n ASP 625 Cb 0.00 -0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 39.93 1q8i n ASP 625 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1q8i s LYS 626 N -1.79 2.37 0.02 0.11 1.02 -0.63 -5.15 119.74 115.70 1q8i s LYS 626 Ca 0.33 -1.65 0.02 0.00 0.02 0.00 0.00 55.97 54.70 1q8i s LYS 626 Cb 0.18 -2.16 -0.02 0.00 -0.52 0.00 0.00 37.83 35.31 1q8i s LYS 626 CO 0.27 -0.05 -0.07 -0.65 -0.92 0.00 0.00 175.35 173.93 1q8i s GLN 627 N -3.95 0.50 -0.03 1.68 -0.21 -1.26 -0.82 119.66 115.57 1q8i s GLN 627 Ca 0.42 -0.54 0.01 0.00 0.02 0.00 0.00 55.36 55.27 1q8i s GLN 627 Cb -0.00 -0.36 0.01 0.00 1.00 0.00 0.00 33.01 33.66 1q8i s GLN 627 CO 0.24 0.08 -0.05 0.50 -2.12 0.00 0.00 175.29 173.94 1q8i s ARG 628 N -1.01 0.69 0.13 2.91 3.52 -0.84 -4.99 118.95 119.35 1q8i s ARG 628 Ca -0.05 -0.14 -0.03 0.00 -0.13 0.00 0.00 55.73 55.38 1q8i s ARG 628 Cb -0.07 -0.70 -0.05 0.00 -1.56 0.00 0.00 34.95 32.57 1q8i s ARG 628 CO 0.00 -0.01 0.33 -1.64 -0.81 0.00 0.00 175.30 173.17 1q8i s MET 629 N 0.56 3.56 0.01 5.12 -1.94 -1.26 -0.92 119.30 124.43 1q8i s MET 629 Ca -0.07 -0.22 0.06 0.00 -1.71 0.00 0.00 55.69 53.76 1q8i s MET 629 Cb -0.11 -2.90 -0.02 0.00 2.01 0.00 0.00 34.83 33.81 1q8i s MET 629 CO -0.00 0.50 -0.20 0.08 -0.01 0.00 0.00 175.02 175.39 1q8i s VAL 630 N -1.64 1.57 -0.07 -6.03 1.01 -0.23 -4.99 120.40 110.02 1q8i s VAL 630 Ca 0.39 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1q8i s VAL 630 Cb -0.12 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.95 1q8i s VAL 630 CO 0.26 0.32 -0.01 -0.36 0.00 0.00 0.00 175.10 175.31 1q8i s PHE 631 N -0.62 0.75 -0.07 5.22 0.08 -1.26 -2.10 117.98 119.98 1q8i s PHE 631 Ca 0.07 -0.22 0.04 0.00 0.12 0.00 0.00 56.93 56.94 1q8i s PHE 631 Cb -0.08 -0.84 -0.00 0.00 -0.57 0.00 0.00 43.02 41.53 1q8i s PHE 631 CO 0.00 -0.34 -0.20 0.15 -0.10 0.00 0.00 175.22 174.73 1q8i s LYS 632 N 1.89 2.33 0.00 0.44 -0.14 -0.43 -4.82 119.74 119.01 1q8i s LYS 632 Ca 0.04 -0.73 0.00 0.00 -1.36 0.00 0.00 55.97 53.93 1q8i s LYS 632 Cb -0.12 -1.89 0.00 0.00 -1.68 0.00 0.00 37.83 34.13 1q8i s LYS 632 CO -0.05 0.22 0.00 0.41 -0.76 0.00 0.00 175.35 175.17 1q8i n GLY 633 N 3.33 -0.65 0.00 -3.33 0.00 -1.20 -1.81 105.19 101.53 1q8i n GLY 633 Ca -0.19 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1q8i n GLY 633 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1q8i n LEU 634 N 0.00 0.00 0.19 0.99 7.94 -1.26 -4.85 117.00 120.01 1q8i n LEU 634 Ca 0.00 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.98 1q8i n LEU 634 Cb 0.00 0.00 0.21 0.00 0.53 0.00 0.00 43.42 44.16 1q8i n LEU 634 CO 0.00 0.00 0.69 -0.33 -1.11 0.00 0.00 177.39 176.64 1q8i h GLU 635 N 0.00 0.00 -4.64 1.96 4.39 -1.99 -3.51 114.58 110.79 1q8i h GLU 635 Ca 0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1q8i h GLU 635 Cb 0.00 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 28.71 1q8i h GLU 635 CO 0.00 0.24 -0.27 0.25 -1.16 0.00 0.00 179.01 178.07 1q8i n THR 636 N -3.20 -6.95 0.00 1.13 -2.24 -1.26 -4.87 114.28 96.88 1q8i n THR 636 Ca 0.02 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1q8i n THR 636 Cb 0.57 -5.64 0.00 0.00 -2.10 0.00 0.00 70.33 63.16 1q8i n THR 636 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1q8i n THR 639 N -2.06 0.00 -3.66 4.28 5.66 -1.26 -4.87 114.28 112.37 1q8i n THR 639 Ca -0.02 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.89 1q8i n THR 639 Cb 0.54 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.24 1q8i n THR 639 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1q8i s ASP 640 N 0.00 -0.78 -0.08 1.09 2.15 -1.26 -5.15 116.67 112.63 1q8i s ASP 640 Ca 0.00 1.31 -0.04 0.00 0.43 0.00 0.00 52.55 54.25 1q8i s ASP 640 Cb 0.00 1.21 0.04 0.00 -0.30 0.00 0.00 42.92 43.87 1q8i s ASP 640 CO 0.00 -0.22 0.18 0.86 -0.17 0.00 0.00 175.17 175.82 1q8i s TRP 641 N 1.31 -0.22 0.35 -5.34 -0.11 -1.26 -5.04 118.94 108.63 1q8i s TRP 641 Ca -0.08 0.62 0.08 0.00 1.22 0.00 0.00 56.10 57.94 1q8i s TRP 641 Cb -0.06 -0.10 -0.03 0.00 -1.50 0.00 0.00 33.47 31.78 1q8i s TRP 641 CO -0.14 -0.23 0.30 0.95 -4.62 0.00 0.00 176.95 173.21 1q8i s THR 642 N 1.62 3.29 0.50 5.86 -4.23 -1.26 -4.90 115.64 116.52 1q8i s THR 642 Ca -0.05 -1.39 0.25 0.00 -1.18 0.00 0.00 61.69 59.32 1q8i s THR 642 Cb -0.12 -3.13 0.30 0.00 1.34 0.00 0.00 72.50 70.90 1q8i s THR 642 CO -0.07 -0.14 2.15 -0.65 -0.54 0.00 0.00 174.62 175.38 1q8i h PRO 643 N 1.22 0.00 0.36 3.99 0.11 -1.77 0.40 132.00 136.31 1q8i h PRO 643 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1q8i h PRO 643 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1q8i h PRO 643 CO 0.59 0.07 -0.27 1.25 -0.21 0.00 0.00 178.00 179.43 1q8i h LEU 644 N 0.00 -0.68 0.16 2.35 5.85 -1.77 -0.03 115.31 121.18 1q8i h LEU 644 Ca -0.00 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1q8i h LEU 644 Cb 0.16 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1q8i h LEU 644 CO 0.01 -0.40 -0.08 0.00 -0.34 0.00 0.00 178.44 177.63 1q8i h ALA 645 N -0.05 -0.21 -0.51 1.25 0.00 -1.77 -0.32 119.26 117.65 1q8i h ALA 645 Ca -0.03 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1q8i h ALA 645 Cb 0.53 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 1q8i h ALA 645 CO 0.00 -0.57 -0.34 0.37 0.00 0.00 0.00 179.25 178.71 1q8i h GLN 646 N -0.31 -0.20 -0.16 0.00 5.75 -0.82 -0.11 115.11 119.26 1q8i h GLN 646 Ca -0.02 0.01 -0.19 0.00 -0.15 0.00 0.00 58.65 58.30 1q8i h GLN 646 Cb 0.24 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 1q8i h GLN 646 CO 0.04 -0.14 -0.66 0.37 -2.65 0.00 0.00 178.83 175.79 1q8i h GLN 647 N -0.21 0.63 -0.75 1.69 4.15 -0.84 -1.43 115.11 118.35 1q8i h GLN 647 Ca 0.20 -0.46 0.02 0.00 0.77 0.00 0.00 58.65 59.18 1q8i h GLN 647 Cb 0.55 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.27 1q8i h GLN 647 CO -0.62 1.08 0.49 0.35 -1.93 0.00 0.00 178.83 178.19 1q8i h PHE 648 N 0.45 0.91 0.08 3.99 3.57 -0.77 -1.90 116.94 123.28 1q8i h PHE 648 Ca -0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1q8i h PHE 648 Cb 1.25 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1q8i h PHE 648 CO 0.06 0.55 -0.04 0.37 -2.23 0.00 0.00 178.31 177.02 1q8i h GLN 649 N 0.97 -0.10 -0.43 1.11 4.15 -0.84 0.16 115.11 120.12 1q8i h GLN 649 Ca 0.29 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.80 1q8i h GLN 649 Cb -0.05 0.02 -0.10 0.00 0.21 0.00 0.00 27.48 27.57 1q8i h GLN 649 CO -0.09 0.19 -0.34 1.96 -1.93 0.00 0.00 178.83 178.62 1q8i h GLN 650 N -0.40 -0.24 -0.10 1.69 1.08 -1.22 -0.09 115.11 115.84 1q8i h GLN 650 Ca -0.01 0.02 -0.17 0.00 -1.45 0.00 0.00 58.65 57.04 1q8i h GLN 650 Cb 0.34 0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1q8i h GLN 650 CO 0.02 -0.16 -0.58 1.49 -0.95 0.00 0.00 178.83 178.64 1q8i h GLU 651 N -0.25 0.57 0.00 1.46 4.81 -1.13 -1.96 114.58 118.09 1q8i h GLU 651 Ca 0.18 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1q8i h GLU 651 Cb 0.55 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1q8i h GLU 651 CO -0.57 1.11 -0.02 1.25 -0.73 0.00 0.00 179.01 180.05 1q8i h LEU 652 N 0.19 -0.06 -0.77 1.64 6.46 -0.54 -1.63 115.31 120.59 1q8i h LEU 652 Ca -0.05 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.67 1q8i h LEU 652 Cb 1.23 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.15 1q8i h LEU 652 CO 0.12 -0.03 0.29 1.88 -0.62 0.00 0.00 178.44 180.08 1q8i h TYR 653 N -0.04 1.20 -0.21 1.25 -1.99 -1.07 -0.35 116.97 115.77 1q8i h TYR 653 Ca 0.01 -0.10 -0.00 0.00 2.00 0.00 0.00 58.73 60.63 1q8i h TYR 653 Cb 0.05 -0.36 -0.01 0.00 2.00 0.00 0.00 36.73 38.41 1q8i h TYR 653 CO -0.10 0.92 0.11 1.25 -0.00 0.00 0.00 178.16 180.35 1q8i h LEU 654 N 1.13 0.26 0.26 3.88 5.85 -1.31 0.56 115.31 125.94 1q8i h LEU 654 Ca 0.26 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1q8i h LEU 654 Cb 0.25 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1q8i h LEU 654 CO -0.02 0.28 -0.25 0.03 -0.34 0.00 0.00 178.44 178.14 1q8i h ARG 655 N 0.23 -0.52 -0.78 1.25 3.08 -0.97 -1.08 114.38 115.59 1q8i h ARG 655 Ca 0.07 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1q8i h ARG 655 Cb 0.07 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 1q8i h ARG 655 CO -0.01 -0.34 0.35 0.82 -1.07 0.00 0.00 179.97 179.71 1q8i h ILE 656 N -0.53 1.25 -0.63 2.04 2.04 -0.86 0.24 117.51 121.06 1q8i h ILE 656 Ca -0.01 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1q8i h ILE 656 Cb 0.49 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1q8i h ILE 656 CO -0.05 0.31 0.39 -0.26 0.00 0.00 0.00 178.15 178.54 1q8i h PHE 657 N 1.12 0.80 -0.30 1.37 0.04 0.38 -0.60 116.94 119.75 1q8i h PHE 657 Ca 0.27 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.05 1q8i h PHE 657 Cb 0.16 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.04 1q8i h PHE 657 CO 0.02 0.52 0.00 0.54 -0.60 0.00 0.00 178.31 178.79 1q8i n ARG 658 N -4.42 1.88 -2.38 1.51 1.74 -0.43 -4.94 116.66 109.62 1q8i n ARG 658 Ca 0.06 -1.34 -0.21 0.00 -0.77 0.00 0.00 57.85 55.60 1q8i n ARG 658 Cb 0.06 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.13 1q8i n ARG 658 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1q8i n ASN 659 N 0.57 -5.83 -4.96 0.55 3.02 -0.23 -5.01 115.26 103.36 1q8i n ASN 659 Ca 0.15 0.01 -0.22 0.00 -0.03 0.00 0.00 54.58 54.49 1q8i n ASN 659 Cb 0.35 -4.87 -0.01 0.00 -0.61 0.00 0.00 39.78 34.65 1q8i n ASN 659 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1q8i s GLU 660 N -5.01 3.30 0.48 3.52 2.02 -0.02 -5.00 118.70 117.98 1q8i s GLU 660 Ca 0.00 -0.64 -0.24 0.00 0.02 0.00 0.00 54.97 54.10 1q8i s GLU 660 Cb 0.00 -2.74 -0.07 0.00 0.10 0.00 0.00 34.13 31.41 1q8i s GLU 660 CO 0.00 0.12 1.43 -2.14 0.02 0.00 0.00 175.26 174.69 1q8i s PRO 661 N -4.24 3.53 0.00 0.39 0.02 -1.26 -4.41 135.00 129.03 1q8i s PRO 661 Ca 0.41 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.84 1q8i s PRO 661 Cb -0.09 -2.56 0.00 0.00 0.02 0.00 0.00 34.50 31.87 1q8i s PRO 661 CO 0.33 -0.94 0.00 2.48 -0.33 0.00 0.00 177.00 178.55 1q8i n TYR 662 N -0.41 0.00 -0.21 6.54 0.18 -1.26 -4.86 117.16 117.14 1q8i n TYR 662 Ca 0.06 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.82 1q8i n TYR 662 Cb 0.42 0.00 0.08 0.00 -0.38 0.00 0.00 39.34 39.46 1q8i n TYR 662 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 1q8i h GLN 663 N 0.00 0.60 -0.34 -3.48 4.20 -2.00 0.36 115.11 114.45 1q8i h GLN 663 Ca 0.00 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 1q8i h GLN 663 Cb 0.00 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1q8i h GLN 663 CO 0.00 0.40 -0.26 1.49 -0.67 0.00 0.00 178.83 179.79 1q8i h GLU 664 N 0.62 0.68 -0.43 1.46 4.57 -2.00 -1.69 114.58 117.80 1q8i h GLU 664 Ca 0.27 -0.28 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1q8i h GLU 664 Cb 0.15 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 1q8i h GLU 664 CO -0.17 0.87 0.16 -0.92 -1.18 0.00 0.00 179.01 177.77 1q8i h TYR 665 N 0.59 0.28 -0.48 0.92 3.20 -1.61 -0.74 116.97 119.13 1q8i h TYR 665 Ca 0.08 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1q8i h TYR 665 Cb 0.75 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 1q8i h TYR 665 CO 0.03 0.11 0.21 0.28 -1.64 0.00 0.00 178.16 177.15 1q8i h VAL 666 N 0.33 1.20 -0.52 1.81 2.07 -0.64 -2.09 116.25 118.41 1q8i h VAL 666 Ca 0.20 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1q8i h VAL 666 Cb 0.18 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1q8i h VAL 666 CO -0.19 0.23 0.27 0.03 0.02 0.00 0.00 177.57 177.93 1q8i h ARG 667 N 0.63 0.74 -0.56 1.57 3.08 -0.83 -1.16 114.38 117.85 1q8i h ARG 667 Ca 0.16 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 1q8i h ARG 667 Cb 0.17 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1q8i h ARG 667 CO -0.02 0.59 0.08 0.93 -1.07 0.00 0.00 179.97 180.48 1q8i h GLU 668 N 0.70 0.94 -0.17 0.04 4.39 -1.10 0.21 114.58 119.58 1q8i h GLU 668 Ca 0.18 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.64 1q8i h GLU 668 Cb 0.08 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1q8i h GLU 668 CO -0.03 0.91 0.03 1.15 -1.16 0.00 0.00 179.01 179.92 1q8i h THR 669 N 0.83 0.93 0.03 1.13 2.02 -1.06 0.26 112.91 117.04 1q8i h THR 669 Ca 0.17 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.32 1q8i h THR 669 Cb 0.44 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1q8i h THR 669 CO 0.01 0.02 -0.05 0.40 0.37 0.00 0.00 175.52 176.27 1q8i h ILE 670 N 0.10 0.87 -0.29 3.11 2.04 -0.85 -1.11 117.51 121.38 1q8i h ILE 670 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1q8i h ILE 670 Cb 0.07 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1q8i h ILE 670 CO -0.10 0.00 0.18 -0.78 0.00 0.00 0.00 178.15 177.45 1q8i h ASP 671 N -0.10 0.34 -0.61 1.72 3.58 -0.30 -1.16 116.42 119.88 1q8i h ASP 671 Ca 0.01 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.47 1q8i h ASP 671 Cb 0.12 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.04 1q8i h ASP 671 CO -0.04 0.26 0.37 0.11 -2.88 0.00 0.00 179.24 177.06 1q8i h LYS 672 N 0.38 0.70 0.35 0.28 1.57 -0.43 -1.58 116.57 117.84 1q8i h LYS 672 Ca 0.10 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1q8i h LYS 672 Cb -0.02 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1q8i h LYS 672 CO -0.02 0.46 -0.17 1.25 -0.57 0.00 0.00 179.45 180.40 1q8i h LEU 673 N 0.72 -0.41 -1.64 2.94 6.46 -0.58 -1.60 115.31 121.21 1q8i h LEU 673 Ca 0.25 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1q8i h LEU 673 Cb 0.04 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1q8i h LEU 673 CO -0.11 -0.29 0.00 0.24 -0.62 0.00 0.00 178.44 177.66 1q8i h MET 674 N -0.47 0.00 -0.00 1.25 2.86 -1.02 -2.34 114.93 115.21 1q8i h MET 674 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1q8i h MET 674 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1q8i h MET 674 CO 0.08 0.00 -0.25 0.00 1.06 0.00 0.00 176.91 177.80 1q8i n ALA 675 N -2.02 3.02 -0.99 6.32 0.00 -0.61 -4.93 120.51 121.30 1q8i n ALA 675 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1q8i n ALA 675 Cb 0.23 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1q8i n ALA 675 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q8i n GLY 676 N 1.38 0.44 0.04 0.00 0.00 -0.88 -4.97 105.19 101.21 1q8i n GLY 676 Ca 0.10 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 45.26 1q8i n GLY 676 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q8i n GLU 677 N -2.75 0.14 -0.55 1.61 1.02 -0.62 -4.11 120.64 115.39 1q8i n GLU 677 Ca 0.00 -0.09 0.05 0.00 -0.02 0.00 0.00 57.16 57.11 1q8i n GLU 677 Cb 0.04 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.21 1q8i n GLU 677 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1q8i n LEU 678 N -1.35 4.07 -0.34 -4.62 4.77 -1.25 -4.75 117.00 113.53 1q8i n LEU 678 Ca 0.06 -3.17 0.22 0.00 -0.03 0.00 0.00 56.01 53.09 1q8i n LEU 678 Cb 0.34 -0.58 0.47 0.00 -2.33 0.00 0.00 43.42 41.33 1q8i n LEU 678 CO 0.35 0.79 1.20 0.44 -1.33 0.00 0.00 177.39 178.83 1q8i h ASP 679 N 1.70 0.52 0.37 -1.43 3.32 -1.92 -0.67 116.42 118.30 1q8i h ASP 679 Ca 0.06 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1q8i h ASP 679 Cb 1.55 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 41.12 1q8i h ASP 679 CO 0.29 0.07 -0.15 0.00 -1.72 0.00 0.00 179.24 177.73 1q8i h ALA 680 N 1.67 1.33 -0.01 3.45 0.00 -1.94 -2.46 119.26 121.29 1q8i h ALA 680 Ca 0.63 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1q8i h ALA 680 Cb 1.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1q8i h ALA 680 CO -0.38 0.18 -0.05 0.54 0.00 0.00 0.00 179.25 179.55 1q8i n ARG 681 N -3.74 1.48 -0.10 0.00 1.74 -0.26 -3.86 116.66 111.92 1q8i n ARG 681 Ca -0.02 -0.84 0.12 0.00 -0.77 0.00 0.00 57.85 56.34 1q8i n ARG 681 Cb 0.26 -1.48 0.25 0.00 -1.02 0.00 0.00 32.46 30.46 1q8i n ARG 681 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1q8i n LEU 682 N -0.03 2.80 -4.67 0.55 4.32 -0.93 -2.03 117.00 117.01 1q8i n LEU 682 Ca 0.18 -1.11 -0.41 0.00 -0.02 0.00 0.00 56.01 54.65 1q8i n LEU 682 Cb 0.34 -0.14 -0.05 0.00 -1.62 0.00 0.00 43.42 41.96 1q8i n LEU 682 CO 0.18 0.56 0.48 0.68 -1.22 0.00 0.00 177.39 178.07 1q8i s VAL 683 N -1.73 4.97 0.00 4.08 -7.23 -1.25 -5.02 120.40 114.21 1q8i s VAL 683 Ca 0.35 1.41 0.00 0.00 -1.81 0.00 0.00 61.98 61.93 1q8i s VAL 683 Cb 0.21 -4.04 0.00 0.00 0.56 0.00 0.00 36.38 33.11 1q8i s VAL 683 CO 0.30 0.10 0.00 0.00 -0.31 0.00 0.00 175.10 175.19 1q8i n TYR 684 N 4.93 0.00 -0.67 2.82 0.18 -1.26 -4.44 117.16 118.72 1q8i n TYR 684 Ca 0.01 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.82 1q8i n TYR 684 Cb 0.50 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.44 1q8i n TYR 684 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1q8i n SER 745 N -1.93 -1.45 -4.81 9.48 7.64 -1.26 -5.15 113.62 116.14 1q8i n SER 745 Ca 0.00 0.22 -0.33 0.00 1.01 0.00 0.00 58.87 59.78 1q8i n SER 745 Cb 0.37 -2.10 -0.01 0.00 -1.01 0.00 0.00 64.21 61.47 1q8i n SER 745 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1q8i s PRO 746 N -4.03 3.54 0.57 1.43 0.02 -1.26 -5.01 135.00 130.26 1q8i s PRO 746 Ca 0.00 1.15 -0.21 0.00 0.02 0.00 0.00 61.00 61.96 1q8i s PRO 746 Cb 0.00 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 1q8i s PRO 746 CO 0.00 -0.62 1.31 -0.51 -0.33 0.00 0.00 177.00 176.85 1q8i s LEU 747 N -4.28 3.78 -0.72 -5.54 1.43 -1.26 -4.99 118.68 107.11 1q8i s LEU 747 Ca 0.63 2.66 -0.08 0.00 -1.03 0.00 0.00 54.13 56.30 1q8i s LEU 747 Cb -0.14 -4.38 0.19 0.00 0.03 0.00 0.00 46.19 41.88 1q8i s LEU 747 CO 0.34 -1.62 0.59 -0.62 0.23 0.00 0.00 176.35 175.28 1q8i s ASP 748 N -1.15 5.97 0.45 2.29 2.15 -1.26 -4.92 116.67 120.19 1q8i s ASP 748 Ca 0.74 -2.76 0.12 0.00 0.43 0.00 0.00 52.55 51.09 1q8i s ASP 748 Cb -0.38 -2.03 1.00 0.00 -0.30 0.00 0.00 42.92 41.21 1q8i s ASP 748 CO 0.43 -0.47 2.02 1.88 -0.17 0.00 0.00 175.17 178.86 1q8i h TYR 749 N 7.41 0.14 -0.67 -5.34 0.05 -1.94 -1.73 116.97 114.90 1q8i h TYR 749 Ca 0.04 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 1q8i h TYR 749 Cb 1.00 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.66 1q8i h TYR 749 CO 0.86 0.20 0.35 1.49 -1.05 0.00 0.00 178.16 180.01 1q8i h GLU 750 N 0.14 0.93 -0.29 4.88 4.57 -1.97 0.25 114.58 123.08 1q8i h GLU 750 Ca 0.03 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1q8i h GLU 750 Cb 0.19 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1q8i h GLU 750 CO 0.01 0.70 0.19 1.25 -1.18 0.00 0.00 179.01 179.97 1q8i h HIS 751 N 0.93 0.37 -0.28 0.92 2.76 -1.74 -1.69 115.15 116.42 1q8i h HIS 751 Ca 0.24 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.32 1q8i h HIS 751 Cb 0.05 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1q8i h HIS 751 CO 0.01 0.24 -0.23 1.88 -1.30 0.00 0.00 177.93 178.53 1q8i h TYR 752 N 0.39 0.60 -0.17 5.26 -1.99 -1.15 -0.70 116.97 119.21 1q8i h TYR 752 Ca 0.11 -0.12 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 1q8i h TYR 752 Cb -0.03 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.54 1q8i h TYR 752 CO -0.05 0.73 0.02 1.25 -0.00 0.00 0.00 178.16 180.10 1q8i h LEU 753 N 0.47 0.28 0.02 3.88 5.85 -0.40 -1.44 115.31 123.97 1q8i h LEU 753 Ca 0.07 -0.27 -0.27 0.00 0.84 0.00 0.00 57.88 58.24 1q8i h LEU 753 Cb 0.66 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1q8i h LEU 753 CO 0.05 0.48 -1.50 0.71 -0.34 0.00 0.00 178.44 177.84 1q8i h THR 754 N 0.06 1.12 -0.17 1.05 1.35 -1.20 0.01 112.91 115.14 1q8i h THR 754 Ca 0.05 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 63.01 1q8i h THR 754 Cb 0.33 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1q8i h THR 754 CO 0.00 0.69 0.00 0.54 -0.25 0.00 0.00 175.52 176.50 1q8i n ARG 755 N -3.20 1.91 0.09 4.72 5.12 -0.28 -4.26 116.66 120.76 1q8i n ARG 755 Ca -0.13 -1.83 0.00 0.00 -1.93 0.00 0.00 57.85 53.96 1q8i n ARG 755 Cb 1.02 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.94 1q8i n ARG 755 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1q8i n GLN 756 N 1.09 0.00 0.00 5.56 -0.06 -1.00 -4.78 117.38 118.19 1q8i n GLN 756 Ca 0.13 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 55.00 1q8i n GLN 756 Cb 0.49 -0.17 -0.10 0.00 -4.06 0.00 0.00 30.24 26.40 1q8i n GLN 756 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1q8i h LEU 757 N 0.00 -0.04 -0.29 1.69 3.38 -1.05 -3.29 115.31 115.71 1q8i h LEU 757 Ca 0.00 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.57 1q8i h LEU 757 Cb 0.07 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 1q8i h LEU 757 CO 0.00 0.45 -0.36 -0.61 0.09 0.00 0.00 178.44 178.02 1q8i h GLN 758 N -0.54 -0.33 -0.55 1.13 4.15 -1.19 -1.78 115.11 116.00 1q8i h GLN 758 Ca -0.00 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.47 1q8i h GLN 758 Cb 0.50 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.23 1q8i h GLN 758 CO 0.01 -0.22 0.36 -1.35 -1.93 0.00 0.00 178.83 175.70 1q8i h PRO 759 N -0.34 0.63 -0.14 -2.39 0.11 -1.74 0.22 132.00 128.35 1q8i h PRO 759 Ca 0.13 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 1q8i h PRO 759 Cb 0.56 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 1q8i h PRO 759 CO -0.48 0.42 -0.04 0.28 -0.21 0.00 0.00 178.00 177.97 1q8i h VAL 760 N 0.65 1.29 -0.31 3.15 2.07 -1.45 -2.93 116.25 118.71 1q8i h VAL 760 Ca 0.22 -1.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 1q8i h VAL 760 Cb 0.06 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1q8i h VAL 760 CO -0.06 0.29 -0.15 0.00 0.02 0.00 0.00 177.57 177.67 1q8i h ALA 761 N 0.70 1.15 0.00 1.67 0.00 -0.78 -2.93 119.26 119.08 1q8i h ALA 761 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1q8i h ALA 761 Cb 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1q8i h ALA 761 CO 0.02 0.53 0.00 0.39 0.00 0.00 0.00 179.25 180.19 1q8i n GLU 762 N -4.17 0.04 0.14 0.00 1.02 0.01 -1.07 120.64 116.61 1q8i n GLU 762 Ca 0.00 0.31 0.12 0.00 -0.02 0.00 0.00 57.16 57.58 1q8i n GLU 762 Cb 0.35 -1.59 0.24 0.00 -0.02 0.00 0.00 31.44 30.42 1q8i n GLU 762 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1q8i h GLY 763 N 2.20 0.00 0.00 0.62 0.00 -1.33 -3.41 103.07 101.15 1q8i h GLY 763 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q8i h GLY 763 CO 0.00 0.00 -0.52 4.51 0.00 0.00 0.00 176.54 180.53 1q8i n ILE 764 N -2.59 0.00 -0.26 2.60 3.06 -0.85 -4.87 119.36 116.46 1q8i n ILE 764 Ca 0.04 0.00 0.06 0.00 -2.50 0.00 0.00 62.75 60.35 1q8i n ILE 764 Cb 0.48 -0.27 0.18 0.00 0.54 0.00 0.00 39.64 40.57 1q8i n ILE 764 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 1q8i h LEU 765 N 0.00 -0.14 -2.10 9.51 3.38 -1.33 0.15 115.31 124.78 1q8i h LEU 765 Ca 0.00 0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.23 1q8i h LEU 765 Cb 0.52 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1q8i h LEU 765 CO 0.00 -0.12 0.28 -0.65 0.09 0.00 0.00 178.44 178.05 1q8i h PRO 766 N 0.18 0.00 0.00 1.13 0.11 -1.80 -0.27 132.00 131.35 1q8i h PRO 766 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1q8i h PRO 766 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1q8i h PRO 766 CO -0.59 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.39 1q8i n PHE 767 N -4.01 0.73 -0.67 0.65 3.72 0.04 -3.13 117.46 114.78 1q8i n PHE 767 Ca 0.05 0.22 0.07 0.00 -0.05 0.00 0.00 57.45 57.73 1q8i n PHE 767 Cb 0.44 -0.85 0.14 0.00 -0.94 0.00 0.00 39.48 38.27 1q8i n PHE 767 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1q8i n ILE 768 N -2.10 1.66 -2.73 4.37 -5.35 -0.18 -4.76 119.36 110.27 1q8i n ILE 768 Ca 0.06 -1.69 -0.08 0.00 -0.27 0.00 0.00 62.75 60.77 1q8i n ILE 768 Cb 0.40 0.03 0.02 0.00 -1.74 0.00 0.00 39.64 38.35 1q8i n ILE 768 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1q8i n GLU 769 N -0.69 -2.25 -4.57 6.28 2.13 -0.98 -5.02 120.64 115.54 1q8i n GLU 769 Ca 0.13 0.28 -0.27 0.00 0.66 0.00 0.00 57.16 57.96 1q8i n GLU 769 Cb 0.59 -3.71 -0.08 0.00 0.27 0.00 0.00 31.44 28.51 1q8i n GLU 769 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1q8i s ASP 770 N -3.03 3.09 -0.24 4.31 -1.08 -0.81 -5.04 116.67 113.87 1q8i s ASP 770 Ca 0.16 -1.71 -0.10 0.00 -0.52 0.00 0.00 52.55 50.38 1q8i s ASP 770 Cb -0.07 0.58 0.10 0.00 -1.46 0.00 0.00 42.92 42.06 1q8i s ASP 770 CO 0.20 -0.96 0.53 0.21 0.52 0.00 0.00 175.17 175.67 1q8i s ASN 771 N -3.67 -0.69 0.20 -0.34 3.84 -1.26 -3.83 114.94 109.18 1q8i s ASN 771 Ca 0.19 1.25 -0.11 0.00 0.21 0.00 0.00 52.86 54.40 1q8i s ASN 771 Cb 0.02 1.59 0.12 0.00 -0.55 0.00 0.00 41.25 42.43 1q8i s ASN 771 CO 0.13 -0.22 1.84 0.15 -2.79 0.00 0.00 177.10 176.20 1q8i h PHE 772 N 7.79 0.90 -0.65 0.43 3.57 -1.95 -2.69 116.94 124.33 1q8i h PHE 772 Ca -0.22 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.31 1q8i h PHE 772 Cb 1.13 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 1q8i h PHE 772 CO 0.20 0.61 0.43 0.00 -2.23 0.00 0.00 178.31 177.32 1q8i h ALA 773 N 1.22 1.63 -0.38 2.41 0.00 -1.98 0.34 119.26 122.50 1q8i h ALA 773 Ca 0.25 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1q8i h ALA 773 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1q8i h ALA 773 CO -0.05 0.30 -0.40 1.15 0.00 0.00 0.00 179.25 180.26 1q8i h THR 774 N 0.79 1.27 -0.37 0.00 2.02 -1.93 -0.10 112.91 114.60 1q8i h THR 774 Ca 0.26 -1.57 -0.03 0.00 0.77 0.00 0.00 66.41 65.84 1q8i h THR 774 Cb 0.06 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1q8i h THR 774 CO -0.07 0.53 0.13 -0.07 0.37 0.00 0.00 175.52 176.40 1q8i h LEU 775 N 0.76 0.53 -0.07 2.58 3.38 -0.99 -1.18 115.31 120.31 1q8i h LEU 775 Ca 0.06 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1q8i h LEU 775 Cb 0.99 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1q8i h LEU 775 CO 0.10 0.58 0.04 -0.03 0.09 0.00 0.00 178.44 179.22 1q8i h MET 776 N 0.45 0.11 -0.83 1.13 4.05 -0.30 -2.43 114.93 117.11 1q8i h MET 776 Ca 0.12 -0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.61 1q8i h MET 776 Cb 0.23 -0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 30.94 1q8i h MET 776 CO -0.01 0.18 0.48 1.15 0.23 0.00 0.00 176.91 178.95 1q8i h THR 777 N 0.00 0.94 -0.36 -0.77 2.02 -0.98 0.20 112.91 113.96 1q8i h THR 777 Ca 0.03 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 66.93 1q8i h THR 777 Cb 0.11 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 1q8i h THR 777 CO -0.00 0.15 0.24 1.23 0.37 0.00 0.00 175.52 177.50 1q8i h GLY 778 N 0.83 0.48 0.56 2.16 0.00 -0.82 -0.39 103.07 105.89 1q8i h GLY 778 Ca 0.39 -0.18 -0.33 0.00 0.00 0.00 0.00 47.33 47.21 1q8i h GLY 778 CO -0.23 0.17 -1.80 -1.61 0.00 0.00 0.00 176.54 173.08 1q8i h GLN 779 N 0.45 0.24 0.00 4.80 5.75 -0.90 -3.41 115.11 122.05 1q8i h GLN 779 Ca 0.13 -0.42 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 1q8i h GLN 779 Cb -0.01 0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1q8i h GLN 779 CO -0.03 1.20 -0.81 1.28 -2.65 0.00 0.00 178.83 177.82 1q8i n LEU 780 N -3.69 0.37 0.00 -2.39 4.77 0.62 -5.04 117.00 111.64 1q8i n LEU 780 Ca -0.30 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1q8i n LEU 780 Cb 0.98 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 1q8i n LEU 780 CO 0.40 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1q8i n GLY 781 N 1.44 -3.86 0.90 -0.72 0.00 -0.16 -4.53 105.19 98.25 1q8i n GLY 781 Ca 0.01 -2.02 0.08 0.00 0.00 0.00 0.00 46.02 44.09 1q8i n GLY 781 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q8i n LEU 782 N 0.00 2.61 0.00 0.99 4.77 -1.26 -4.54 117.00 119.57 1q8i n LEU 782 Ca 0.00 -1.29 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 1q8i n LEU 782 Cb 0.00 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1q8i n LEU 782 CO 0.00 0.64 0.00 2.22 -1.33 0.00 0.00 177.39 178.92