#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qig h GLU 5 N 0.00 0.00 -0.01 -1.46 4.81 -2.03 -2.07 114.58 113.82 1qig h GLU 5 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qig h GLU 5 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1qig h GLU 5 CO 0.00 0.09 -0.09 1.28 -0.73 0.00 0.00 179.01 179.56 1qig n LEU 6 N -4.40 0.91 -4.49 1.64 4.77 -1.26 -4.81 117.00 109.35 1qig n LEU 6 Ca -0.03 -0.24 -0.35 0.00 -0.03 0.00 0.00 56.01 55.36 1qig n LEU 6 Cb 0.16 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 1qig n LEU 6 CO 0.35 0.16 -0.31 -0.22 -1.33 0.00 0.00 177.39 176.04 1qig s LEU 7 N -2.25 3.41 -0.04 2.23 2.96 -0.78 -0.44 118.68 123.77 1qig s LEU 7 Ca 0.34 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1qig s LEU 7 Cb 0.20 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 45.03 1qig s LEU 7 CO 0.42 0.07 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.73 1qig s VAL 8 N 0.95 0.94 -0.43 1.68 1.01 -0.29 -4.76 120.40 119.49 1qig s VAL 8 Ca 0.02 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.45 1qig s VAL 8 Cb -0.14 -0.85 0.05 0.00 0.00 0.00 0.00 36.38 35.44 1qig s VAL 8 CO 0.02 0.30 0.33 0.21 0.00 0.00 0.00 175.10 175.95 1qig s ASN 9 N 0.39 6.02 0.52 3.32 2.47 -1.26 0.05 114.94 126.44 1qig s ASN 9 Ca -0.07 -1.18 0.09 0.00 0.42 0.00 0.00 52.86 52.11 1qig s ASN 9 Cb -0.12 -2.13 0.06 0.00 -1.45 0.00 0.00 41.25 37.61 1qig s ASN 9 CO 0.02 -0.54 0.66 0.42 -3.72 0.00 0.00 177.10 173.93 1qig s THR 10 N 1.61 2.32 -0.35 -5.21 -4.23 -0.41 -4.93 115.64 104.44 1qig s THR 10 Ca 0.04 -1.09 0.25 0.00 -1.18 0.00 0.00 61.69 59.71 1qig s THR 10 Cb -0.22 -2.41 0.27 0.00 1.34 0.00 0.00 72.50 71.48 1qig s THR 10 CO 0.07 0.00 1.75 0.11 -0.54 0.00 0.00 174.62 176.01 1qig h LYS 11 N 0.42 0.00 0.00 3.99 1.57 -1.93 -2.33 116.57 118.29 1qig h LYS 11 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1qig h LYS 11 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1qig h LYS 11 CO 0.45 0.00 -1.13 0.43 -0.57 0.00 0.00 179.45 178.63 1qig n SER 12 N -2.36 0.64 0.00 0.86 7.64 -1.26 -4.91 113.62 114.22 1qig n SER 12 Ca 0.01 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.44 1qig n SER 12 Cb 0.21 1.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.42 1qig n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qig n GLY 13 N 1.41 0.79 3.81 0.23 0.00 -0.88 -1.00 105.19 109.54 1qig n GLY 13 Ca 0.02 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.77 1qig n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qig s LYS 14 N -1.07 4.36 0.01 1.61 1.02 -1.25 -1.29 119.74 123.12 1qig s LYS 14 Ca 0.00 1.05 0.05 0.00 0.02 0.00 0.00 55.97 57.09 1qig s LYS 14 Cb 0.00 -2.75 -0.01 0.00 -0.52 0.00 0.00 37.83 34.55 1qig s LYS 14 CO 0.00 0.29 -0.15 0.08 -0.92 0.00 0.00 175.35 174.65 1qig s VAL 15 N -1.66 1.15 -0.21 3.17 1.01 0.11 -0.65 120.40 123.32 1qig s VAL 15 Ca 0.48 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 1qig s VAL 15 Cb -0.16 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1qig s VAL 15 CO 0.21 0.22 -0.12 -0.32 0.00 0.00 0.00 175.10 175.09 1qig s MET 16 N -0.62 2.94 0.00 2.72 1.75 0.11 -1.14 119.30 125.06 1qig s MET 16 Ca 0.04 -0.89 0.00 0.00 -1.25 0.00 0.00 55.69 53.60 1qig s MET 16 Cb -0.06 -2.80 0.00 0.00 2.84 0.00 0.00 34.83 34.81 1qig s MET 16 CO 0.00 -0.30 0.00 0.41 -0.65 0.00 0.00 175.02 174.48 1qig n GLY 17 N 4.64 1.24 3.12 2.11 0.00 0.41 0.26 105.19 116.98 1qig n GLY 17 Ca -0.19 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.80 1qig n GLY 17 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qig s THR 18 N 1.43 0.13 -0.06 2.61 -1.32 0.05 -4.70 115.64 113.79 1qig s THR 18 Ca 0.00 -1.08 -0.18 0.00 -1.21 0.00 0.00 61.69 59.22 1qig s THR 18 Cb 0.00 -0.91 -0.05 0.00 -1.51 0.00 0.00 72.50 70.03 1qig s THR 18 CO 0.00 -0.60 0.48 -0.60 -2.21 0.00 0.00 174.62 171.69 1qig s ARG 19 N -2.63 4.21 -0.02 7.08 3.52 -1.26 -0.73 118.95 129.12 1qig s ARG 19 Ca -0.05 0.49 0.04 0.00 -0.13 0.00 0.00 55.73 56.08 1qig s ARG 19 Cb -0.01 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 30.02 1qig s ARG 19 CO -0.05 0.37 -0.13 0.14 -0.81 0.00 0.00 175.30 174.82 1qig s VAL 20 N -0.08 1.05 0.33 7.11 -7.23 -0.23 -4.96 120.40 116.40 1qig s VAL 20 Ca 0.26 -0.55 -0.27 0.00 -1.81 0.00 0.00 61.98 59.61 1qig s VAL 20 Cb -0.16 -0.89 -0.09 0.00 0.56 0.00 0.00 36.38 35.80 1qig s VAL 20 CO 0.13 0.30 1.04 -2.16 -0.31 0.00 0.00 175.10 174.10 1qig s PRO 21 N -0.18 4.45 -0.22 4.82 0.04 -1.26 -1.83 135.00 140.82 1qig s PRO 21 Ca 0.03 1.59 -0.08 0.00 0.04 0.00 0.00 61.00 62.57 1qig s PRO 21 Cb -0.07 -2.87 0.10 0.00 0.04 0.00 0.00 34.50 31.70 1qig s PRO 21 CO -0.00 0.10 0.48 0.54 0.04 0.00 0.00 177.00 178.16 1qig s VAL 22 N -1.44 -0.63 -1.45 -0.36 0.11 -0.22 -4.95 120.40 111.47 1qig s VAL 22 Ca 0.51 0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 59.64 1qig s VAL 22 Cb -0.25 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1qig s VAL 22 CO 0.32 0.05 0.25 0.18 -3.33 0.00 0.00 175.10 172.57 1qig n LEU 23 N 5.23 -1.56 -1.79 2.54 4.77 -1.26 -0.40 117.00 124.53 1qig n LEU 23 Ca -0.11 -1.15 -0.17 0.00 -0.03 0.00 0.00 56.01 54.55 1qig n LEU 23 Cb 0.50 -1.91 -0.02 0.00 -2.33 0.00 0.00 43.42 39.66 1qig n LEU 23 CO -0.00 0.47 -0.20 -1.54 -1.33 0.00 0.00 177.39 174.79 1qig n SER 24 N -2.89 -5.01 -0.13 -1.43 3.41 -1.26 -4.97 113.62 101.35 1qig n SER 24 Ca -0.30 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1qig n SER 24 Cb 0.68 -4.08 0.00 0.00 -0.26 0.00 0.00 64.21 60.56 1qig n SER 24 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1qig n SER 25 N -1.12 0.00 -3.77 4.04 2.88 0.47 -5.18 113.62 110.94 1qig n SER 25 Ca -0.19 -0.13 -0.11 0.00 -1.33 0.00 0.00 58.87 57.11 1qig n SER 25 Cb 0.63 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.02 1qig n SER 25 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1qig s HIS 26 N -1.56 -0.05 0.25 0.66 3.76 -1.26 -1.05 115.29 116.03 1qig s HIS 26 Ca 0.00 -0.17 -0.10 0.00 -0.15 0.00 0.00 55.06 54.64 1qig s HIS 26 Cb 0.00 0.07 -0.01 0.00 1.11 0.00 0.00 32.58 33.75 1qig s HIS 26 CO 0.00 -0.52 0.42 0.96 -0.85 0.00 0.00 174.74 174.75 1qig s ILE 27 N -2.91 0.00 0.07 0.60 -4.36 -0.76 -4.44 121.20 109.40 1qig s ILE 27 Ca -0.02 -1.53 -0.06 0.00 -0.26 0.00 0.00 60.65 58.77 1qig s ILE 27 Cb 0.00 -2.31 -0.05 0.00 1.25 0.00 0.00 42.46 41.35 1qig s ILE 27 CO -0.06 0.00 0.32 -0.44 0.24 0.00 0.00 174.94 175.00 1qig s SER 28 N -3.07 6.51 -0.03 4.36 0.01 -0.06 -1.06 113.70 120.36 1qig s SER 28 Ca 0.26 0.58 0.02 0.00 1.31 0.00 0.00 55.95 58.12 1qig s SER 28 Cb 0.01 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.15 1qig s SER 28 CO 0.11 0.17 -0.06 0.00 0.41 0.00 0.00 173.24 173.87 1qig s ALA 29 N -1.44 0.66 -0.31 1.44 0.00 0.09 -0.38 121.76 121.82 1qig s ALA 29 Ca 0.33 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.14 1qig s ALA 29 Cb -0.13 -0.30 0.09 0.00 0.00 0.00 0.00 23.12 22.78 1qig s ALA 29 CO 0.20 0.07 0.00 -0.06 0.00 0.00 0.00 175.76 175.98 1qig s PHE 30 N 0.39 3.28 -0.03 0.00 0.40 0.12 -0.77 117.98 121.37 1qig s PHE 30 Ca -0.05 -2.57 -0.01 0.00 -0.60 0.00 0.00 56.93 53.70 1qig s PHE 30 Cb -0.09 -2.41 -0.04 0.00 0.51 0.00 0.00 43.02 40.99 1qig s PHE 30 CO 0.00 -0.91 0.06 -0.51 0.70 0.00 0.00 175.22 174.57 1qig s LEU 31 N 1.08 3.84 -0.85 -0.37 1.43 0.95 -0.34 118.68 124.42 1qig s LEU 31 Ca 0.04 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1qig s LEU 31 Cb -0.19 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.89 1qig s LEU 31 CO -0.09 0.30 0.73 0.61 0.23 0.00 0.00 176.35 178.14 1qig n GLY 32 N 1.45 -0.04 3.69 -3.19 0.00 -1.09 -4.05 105.19 101.97 1qig n GLY 32 Ca -0.15 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1qig n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qig s ILE 33 N -3.22 4.95 0.18 -0.61 1.01 -0.31 -4.78 121.20 118.42 1qig s ILE 33 Ca 0.26 1.60 -0.30 0.00 0.00 0.00 0.00 60.65 62.21 1qig s ILE 33 Cb -0.12 -4.12 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 1qig s ILE 33 CO 0.47 0.14 0.99 -2.16 0.00 0.00 0.00 174.94 174.38 1qig s PRO 34 N 1.43 4.73 0.00 2.79 0.04 -1.26 0.02 135.00 142.74 1qig s PRO 34 Ca 0.40 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1qig s PRO 34 Cb -0.18 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1qig s PRO 34 CO 0.17 0.29 0.43 1.97 0.04 0.00 0.00 177.00 179.90 1qig n PHE 35 N 2.18 0.00 -3.69 0.56 1.16 -1.15 -4.89 117.46 111.62 1qig n PHE 35 Ca 0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.49 1qig n PHE 35 Cb 0.48 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.29 1qig n PHE 35 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1qig s ALA 36 N -0.01 -0.75 0.39 1.98 0.00 -1.25 -3.51 121.76 118.60 1qig s ALA 36 Ca 0.00 -0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.54 1qig s ALA 36 Cb 0.00 0.62 -0.09 0.00 0.00 0.00 0.00 23.12 23.65 1qig s ALA 36 CO 0.00 -0.60 1.09 -1.21 0.00 0.00 0.00 175.76 175.04 1qig s GLU 37 N -3.74 4.17 -0.06 0.00 0.41 -0.06 -4.48 118.70 114.94 1qig s GLU 37 Ca 0.03 1.63 -0.32 0.00 -0.41 0.00 0.00 54.97 55.90 1qig s GLU 37 Cb 0.02 -2.64 -0.10 0.00 -1.78 0.00 0.00 34.13 29.63 1qig s GLU 37 CO -0.11 -0.16 1.96 -2.30 -0.49 0.00 0.00 175.26 174.16 1qig n PRO 38 N 0.09 2.42 -1.07 0.39 -0.02 -1.26 -4.69 135.00 130.87 1qig n PRO 38 Ca 0.04 0.87 -0.32 0.00 -2.02 0.00 0.00 63.50 62.08 1qig n PRO 38 Cb 0.48 -2.83 -0.02 0.00 -0.02 0.00 0.00 33.50 31.10 1qig n PRO 38 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1qig n PRO 39 N 7.23 2.74 -4.03 0.52 -0.04 -1.26 -4.90 135.00 135.25 1qig n PRO 39 Ca 0.23 -1.86 -0.24 0.00 -0.04 0.00 0.00 63.50 61.58 1qig n PRO 39 Cb 0.35 -2.69 -0.06 0.00 -0.04 0.00 0.00 33.50 31.06 1qig n PRO 39 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qig s VAL 40 N 3.03 2.30 0.00 0.52 -7.23 -1.26 -3.73 120.40 114.02 1qig s VAL 40 Ca 0.53 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1qig s VAL 40 Cb 0.14 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1qig s VAL 40 CO -0.04 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 1qig n GLY 41 N -1.32 3.45 0.06 2.32 0.00 -1.26 -0.32 105.19 108.11 1qig n GLY 41 Ca -0.01 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1qig n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qig n ASN 42 N 4.80 0.22 -0.03 1.61 4.13 -1.26 -1.81 115.26 122.92 1qig n ASN 42 Ca 0.00 0.58 0.13 0.00 1.68 0.00 0.00 54.58 56.97 1qig n ASN 42 Cb 0.00 -0.62 0.41 0.00 -1.54 0.00 0.00 39.78 38.03 1qig n ASN 42 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1qig n MET 43 N -1.78 0.14 -1.78 3.52 2.81 0.57 -4.80 117.12 115.80 1qig n MET 43 Ca 0.01 -0.06 -0.41 0.00 -1.81 0.00 0.00 57.70 55.42 1qig n MET 43 Cb 0.07 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.07 1qig n MET 43 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1qig s ARG 44 N -2.90 4.12 0.00 0.03 3.52 -0.75 -1.33 118.95 121.65 1qig s ARG 44 Ca 0.15 2.58 0.00 0.00 -0.13 0.00 0.00 55.73 58.32 1qig s ARG 44 Cb 0.18 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.55 1qig s ARG 44 CO 0.61 -0.62 0.00 1.19 -0.81 0.00 0.00 175.30 175.67 1qig n PHE 45 N 2.06 0.00 -2.24 5.12 3.72 -1.26 -4.91 117.46 119.95 1qig n PHE 45 Ca 0.08 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.16 1qig n PHE 45 Cb 0.38 -0.12 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 1qig n PHE 45 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1qig s ARG 46 N 0.00 3.84 0.63 -1.08 3.52 -0.44 -4.24 118.95 121.18 1qig s ARG 46 Ca 0.00 0.88 -0.19 0.00 -0.13 0.00 0.00 55.73 56.30 1qig s ARG 46 Cb 0.00 -2.12 -0.02 0.00 -1.56 0.00 0.00 34.95 31.25 1qig s ARG 46 CO 0.00 -0.36 1.30 1.03 -0.81 0.00 0.00 175.30 176.46 1qig s ARG 47 N -4.42 2.65 0.56 5.12 0.52 -1.26 -4.94 118.95 117.18 1qig s ARG 47 Ca 0.58 2.07 -0.17 0.00 -0.52 0.00 0.00 55.73 57.68 1qig s ARG 47 Cb -0.10 -1.90 -0.05 0.00 0.52 0.00 0.00 34.95 33.42 1qig s ARG 47 CO 0.38 -1.52 1.07 -1.25 0.02 0.00 0.00 175.30 174.00 1qig s PRO 48 N -3.32 3.40 0.09 3.54 0.04 -1.26 -5.06 135.00 132.43 1qig s PRO 48 Ca 0.81 1.32 0.09 0.00 0.04 0.00 0.00 61.00 63.26 1qig s PRO 48 Cb -0.37 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1qig s PRO 48 CO 0.40 -0.76 -0.20 -1.21 0.04 0.00 0.00 177.00 175.27 1qig s GLU 49 N -3.74 1.80 0.40 4.56 0.41 -1.26 -5.03 118.70 115.83 1qig s GLU 49 Ca 0.66 -1.15 -0.27 0.00 -0.41 0.00 0.00 54.97 53.80 1qig s GLU 49 Cb -0.18 -2.08 -0.10 0.00 -1.78 0.00 0.00 34.13 29.99 1qig s GLU 49 CO 0.31 0.49 1.40 -2.30 -0.49 0.00 0.00 175.26 174.68 1qig n PRO 50 N 1.11 2.34 -2.16 0.39 -0.02 -1.26 -0.88 135.00 134.52 1qig n PRO 50 Ca -0.16 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 1qig n PRO 50 Cb 0.53 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 1qig n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qig s LYS 51 N -2.16 4.33 0.26 -0.52 2.47 -1.23 -4.21 119.74 118.67 1qig s LYS 51 Ca 0.57 2.09 -0.30 0.00 -1.56 0.00 0.00 55.97 56.78 1qig s LYS 51 Cb -0.49 -3.22 -0.09 0.00 -1.46 0.00 0.00 37.83 32.56 1qig s LYS 51 CO 0.61 -0.40 1.28 0.15 0.16 0.00 0.00 175.35 177.15 1qig s LYS 52 N 0.74 4.41 0.69 4.03 1.02 -1.26 -4.93 119.74 124.45 1qig s LYS 52 Ca 0.63 2.07 -0.16 0.00 0.02 0.00 0.00 55.97 58.53 1qig s LYS 52 Cb -0.37 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 1qig s LYS 52 CO 0.33 -0.16 0.86 -2.30 -0.92 0.00 0.00 175.35 173.15 1qig n PRO 53 N 1.78 0.54 -4.27 -1.68 -0.02 -1.26 -5.01 135.00 125.08 1qig n PRO 53 Ca 0.03 0.23 -0.22 0.00 -2.02 0.00 0.00 63.50 61.52 1qig n PRO 53 Cb 0.43 -2.11 -0.12 0.00 -0.02 0.00 0.00 33.50 31.68 1qig n PRO 53 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1qig s TRP 54 N -1.77 1.64 0.53 6.00 -2.14 -0.17 -5.02 118.94 118.01 1qig s TRP 54 Ca 0.72 -0.45 -0.01 0.00 2.66 0.00 0.00 56.10 59.02 1qig s TRP 54 Cb -0.36 -0.89 0.02 0.00 -3.10 0.00 0.00 33.47 29.14 1qig s TRP 54 CO 0.51 0.19 0.78 -1.12 -2.66 0.00 0.00 176.95 174.65 1qig s SER 55 N -2.05 5.50 0.34 -2.66 0.01 -1.26 -4.50 113.70 109.07 1qig s SER 55 Ca 0.06 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1qig s SER 55 Cb -0.09 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.85 1qig s SER 55 CO 0.04 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.29 1qig n GLY 56 N -2.34 -1.24 3.40 3.44 0.00 -1.26 -4.82 105.19 102.37 1qig n GLY 56 Ca 0.05 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 1qig n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qig s VAL 57 N 0.00 3.44 -0.11 1.61 1.01 -1.26 -3.92 120.40 121.17 1qig s VAL 57 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 1qig s VAL 57 Cb 0.00 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1qig s VAL 57 CO 0.00 0.48 0.98 0.86 0.00 0.00 0.00 175.10 177.42 1qig s TRP 58 N 0.67 3.51 -0.59 5.22 -0.11 0.18 -4.87 118.94 122.95 1qig s TRP 58 Ca -0.04 1.56 -0.28 0.00 1.22 0.00 0.00 56.10 58.56 1qig s TRP 58 Cb -0.15 -3.16 0.03 0.00 -1.50 0.00 0.00 33.47 28.69 1qig s TRP 58 CO 0.02 -0.21 1.22 1.21 -4.62 0.00 0.00 176.95 174.58 1qig s ASN 59 N 1.09 6.39 -0.60 5.86 3.84 -1.26 0.05 114.94 130.31 1qig s ASN 59 Ca 0.47 0.09 0.02 0.00 0.21 0.00 0.00 52.86 53.65 1qig s ASN 59 Cb -0.18 -2.55 0.39 0.00 -0.55 0.00 0.00 41.25 38.36 1qig s ASN 59 CO 0.18 -1.53 1.47 0.00 -2.79 0.00 0.00 177.10 174.42 1qig n ALA 60 N 8.63 5.63 0.90 1.71 0.00 0.14 -4.68 120.51 132.84 1qig n ALA 60 Ca 0.09 -4.24 0.10 0.00 0.00 0.00 0.00 53.44 49.38 1qig n ALA 60 Cb 0.49 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 1qig n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qig n SER 61 N -0.51 1.50 -4.13 0.00 3.41 -1.24 -0.04 113.62 112.61 1qig n SER 61 Ca 0.45 -1.25 -0.13 0.00 -0.26 0.00 0.00 58.87 57.68 1qig n SER 61 Cb 0.50 0.68 -0.11 0.00 -0.26 0.00 0.00 64.21 65.03 1qig n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1qig s THR 62 N -2.48 0.72 0.66 6.66 -4.23 -1.26 -4.87 115.64 110.84 1qig s THR 62 Ca 0.13 -1.47 -0.18 0.00 -1.18 0.00 0.00 61.69 58.99 1qig s THR 62 Cb 0.16 -1.12 -0.01 0.00 1.34 0.00 0.00 72.50 72.87 1qig s THR 62 CO 0.62 -0.55 1.29 -1.22 -0.54 0.00 0.00 174.62 174.22 1qig n TYR 63 N 0.81 1.90 -2.28 3.99 4.01 -1.26 -3.84 117.16 120.49 1qig n TYR 63 Ca -0.18 0.42 -0.27 0.00 -0.16 0.00 0.00 57.90 57.71 1qig n TYR 63 Cb 0.57 -2.26 0.15 0.00 -0.31 0.00 0.00 39.34 37.49 1qig n TYR 63 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1qig s PRO 64 N -3.41 1.16 0.86 -0.72 0.04 -1.26 -4.88 135.00 126.78 1qig s PRO 64 Ca 0.82 -0.80 -0.12 0.00 0.04 0.00 0.00 61.00 60.95 1qig s PRO 64 Cb -0.38 -2.10 0.11 0.00 0.04 0.00 0.00 34.50 32.17 1qig s PRO 64 CO 0.41 -1.93 1.10 -0.80 0.04 0.00 0.00 177.00 175.81 1qig s ASN 65 N -4.82 3.88 0.08 6.66 0.01 -1.26 -4.87 114.94 114.61 1qig s ASN 65 Ca 0.70 1.39 0.02 0.00 -0.71 0.00 0.00 52.86 54.25 1qig s ASN 65 Cb -0.04 -2.08 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 1qig s ASN 65 CO 0.49 -2.37 0.16 0.20 -1.51 0.00 0.00 177.10 174.07 1qig s ASN 66 N -3.65 5.99 0.76 -1.22 0.02 -0.73 -4.81 114.94 111.30 1qig s ASN 66 Ca 0.62 0.14 -0.14 0.00 -1.02 0.00 0.00 52.86 52.46 1qig s ASN 66 Cb -0.16 -1.74 0.06 0.00 0.02 0.00 0.00 41.25 39.42 1qig s ASN 66 CO 0.56 0.16 1.22 0.00 0.02 0.00 0.00 177.10 179.06 1qig s GLN 68 N -3.96 4.20 0.23 0.00 -1.52 -1.19 -4.54 119.66 112.88 1qig s GLN 68 Ca 0.75 2.38 -0.20 0.00 -1.95 0.00 0.00 55.36 56.34 1qig s GLN 68 Cb -0.30 -3.20 0.03 0.00 -0.22 0.00 0.00 33.01 29.32 1qig s GLN 68 CO 0.48 -0.63 0.64 1.14 -0.25 0.00 0.00 175.29 176.66 1qig s GLN 69 N 1.31 1.56 0.36 2.91 -2.07 -1.26 -4.70 119.66 117.78 1qig s GLN 69 Ca 0.71 -0.84 -0.27 0.00 -1.82 0.00 0.00 55.36 53.14 1qig s GLN 69 Cb -0.44 0.58 -0.09 0.00 -1.09 0.00 0.00 33.01 31.97 1qig s GLN 69 CO 0.31 -0.70 1.23 -0.47 -1.32 0.00 0.00 175.29 174.35 1qig s TYR 70 N -3.87 3.10 -0.16 9.60 5.04 -1.25 -5.01 117.35 124.80 1qig s TYR 70 Ca 0.09 1.50 0.01 0.00 -2.44 0.00 0.00 57.07 56.23 1qig s TYR 70 Cb -0.03 -3.53 0.01 0.00 0.35 0.00 0.00 41.96 38.75 1qig s TYR 70 CO -0.00 -1.53 -0.18 0.08 -1.34 0.00 0.00 175.55 172.57 1qig s VAL 71 N -1.24 2.34 -0.03 3.14 1.01 -1.26 -4.88 120.40 119.48 1qig s VAL 71 Ca 0.52 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 1qig s VAL 71 Cb -0.36 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1qig s VAL 71 CO 0.46 0.53 1.34 -0.62 0.00 0.00 0.00 175.10 176.81 1qig s ASP 72 N 0.97 6.91 -0.05 3.32 2.15 -1.26 -4.88 116.67 123.83 1qig s ASP 72 Ca -0.03 2.00 0.08 0.00 0.43 0.00 0.00 52.55 55.03 1qig s ASP 72 Cb -0.15 -2.56 0.12 0.00 -0.30 0.00 0.00 42.92 40.03 1qig s ASP 72 CO -0.04 -0.69 0.99 -0.62 -0.17 0.00 0.00 175.17 174.65 1qig n GLU 73 N 5.43 1.21 0.29 4.34 1.02 -1.26 -4.79 120.64 126.87 1qig n GLU 73 Ca 0.13 -1.68 0.14 0.00 -0.02 0.00 0.00 57.16 55.72 1qig n GLU 73 Cb 0.44 -1.01 0.86 0.00 -0.02 0.00 0.00 31.44 31.71 1qig n GLU 73 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1qig h GLN 74 N 0.00 0.00 -2.02 3.49 5.75 -2.01 -3.30 115.11 117.02 1qig h GLN 74 Ca 0.00 0.00 -0.56 0.00 -0.15 0.00 0.00 58.65 57.94 1qig h GLN 74 Cb 0.98 0.00 -0.39 0.00 1.07 0.00 0.00 27.48 29.14 1qig h GLN 74 CO 0.00 0.00 -1.08 1.19 -2.65 0.00 0.00 178.83 176.29 1qig n PHE 75 N -3.99 -0.18 -1.61 3.99 3.72 -1.26 -5.12 117.46 113.02 1qig n PHE 75 Ca -0.03 -3.58 -0.56 0.00 -0.05 0.00 0.00 57.45 53.23 1qig n PHE 75 Cb 0.08 -0.34 -0.07 0.00 -0.94 0.00 0.00 39.48 38.22 1qig n PHE 75 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1qig n PRO 76 N 1.43 0.81 0.00 -1.08 -0.02 -1.24 -1.28 135.00 133.62 1qig n PRO 76 Ca 0.22 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1qig n PRO 76 Cb 0.52 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1qig n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qig n GLY 77 N 2.83 2.65 3.67 -1.23 0.00 -1.26 -5.00 105.19 106.85 1qig n GLY 77 Ca 0.22 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 1qig n GLY 77 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1qig n PHE 78 N 0.00 2.46 0.07 1.61 7.35 -0.41 -4.87 117.46 123.67 1qig n PHE 78 Ca 0.00 -0.23 0.01 0.00 -0.76 0.00 0.00 57.45 56.47 1qig n PHE 78 Cb 0.00 -2.75 0.34 0.00 0.35 0.00 0.00 39.48 37.42 1qig n PHE 78 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1qig h SER 79 N 9.89 0.34 -0.90 -2.13 4.64 -1.94 -2.27 113.55 121.17 1qig h SER 79 Ca -0.49 -0.07 0.19 0.00 -0.47 0.00 0.00 61.79 60.95 1qig h SER 79 Cb 1.25 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 63.18 1qig h SER 79 CO 0.94 0.48 0.59 1.23 -0.87 0.00 0.00 176.83 179.20 1qig h GLY 80 N 0.81 0.99 0.00 -0.77 0.00 -1.94 -2.01 103.07 100.14 1qig h GLY 80 Ca 0.07 -0.22 -0.25 0.00 0.00 0.00 0.00 47.33 46.93 1qig h GLY 80 CO 0.02 0.01 -1.94 -1.14 0.00 0.00 0.00 176.54 173.49 1qig n SER 81 N -4.54 1.62 0.20 0.19 3.41 -1.16 -4.49 113.62 108.85 1qig n SER 81 Ca 0.19 -0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.94 1qig n SER 81 Cb 0.64 0.84 0.52 0.00 -0.26 0.00 0.00 64.21 65.94 1qig n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1qig h GLU 82 N 0.00 0.00 0.00 4.33 5.08 -1.29 -2.54 114.58 120.16 1qig h GLU 82 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1qig h GLU 82 Cb 1.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.10 1qig h GLU 82 CO 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 1qig n MET 83 N -2.73 0.02 -0.01 2.33 0.00 -0.77 -2.01 117.12 113.95 1qig n MET 83 Ca 0.02 0.28 0.10 0.00 0.00 0.00 0.00 57.70 58.10 1qig n MET 83 Cb 0.33 -1.54 -0.14 0.00 0.00 0.00 0.00 33.22 31.86 1qig n MET 83 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 1qig n TRP 84 N -1.59 0.00 -1.64 3.17 7.02 -0.96 -4.71 117.44 118.74 1qig n TRP 84 Ca 0.03 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.20 1qig n TRP 84 Cb 0.17 -0.30 0.05 0.00 -2.42 0.00 0.00 31.31 28.81 1qig n TRP 84 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1qig s ASN 85 N -3.81 5.37 0.20 -0.99 0.01 -0.85 -4.73 114.94 110.13 1qig s ASN 85 Ca -0.02 1.69 -0.32 0.00 -0.71 0.00 0.00 52.86 53.49 1qig s ASN 85 Cb 0.14 -2.51 -0.13 0.00 0.41 0.00 0.00 41.25 39.16 1qig s ASN 85 CO 0.83 -1.45 1.65 -2.65 -1.51 0.00 0.00 177.10 173.97 1qig n PRO 86 N -2.94 2.53 -0.40 -0.60 -0.02 -1.26 -4.89 135.00 127.42 1qig n PRO 86 Ca 0.08 0.91 0.08 0.00 -2.02 0.00 0.00 63.50 62.55 1qig n PRO 86 Cb 0.53 -2.72 0.27 0.00 -0.02 0.00 0.00 33.50 31.57 1qig n PRO 86 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1qig n ASN 87 N 3.52 3.89 -4.22 2.55 6.94 -1.26 -4.96 115.26 121.72 1qig n ASN 87 Ca 0.15 -2.30 -0.13 0.00 -0.02 0.00 0.00 54.58 52.29 1qig n ASN 87 Cb 0.33 -0.44 -0.10 0.00 -2.36 0.00 0.00 39.78 37.20 1qig n ASN 87 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1qig s ARG 88 N -1.55 1.11 0.33 -3.83 1.81 -1.26 -5.11 118.95 110.45 1qig s ARG 88 Ca 0.40 -1.55 -0.29 0.00 -1.72 0.00 0.00 55.73 52.57 1qig s ARG 88 Cb 0.25 -0.08 -0.12 0.00 -0.45 0.00 0.00 34.95 34.55 1qig s ARG 88 CO 0.21 -0.21 1.49 -1.91 -0.68 0.00 0.00 175.30 174.20 1qig n GLU 89 N -0.24 2.55 -3.11 3.54 4.07 -1.26 -4.52 120.64 121.67 1qig n GLU 89 Ca -0.05 0.90 -0.32 0.00 -0.06 0.00 0.00 57.16 57.63 1qig n GLU 89 Cb 0.64 -2.62 -0.06 0.00 -0.06 0.00 0.00 31.44 29.34 1qig n GLU 89 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 1qig s MET 90 N -1.38 3.95 -0.09 5.31 -1.94 -1.26 -1.78 119.30 122.11 1qig s MET 90 Ca 0.58 0.61 -0.30 0.00 -1.71 0.00 0.00 55.69 54.87 1qig s MET 90 Cb -0.51 -2.44 0.09 0.00 2.01 0.00 0.00 34.83 33.99 1qig s MET 90 CO 0.57 0.14 0.81 0.45 -0.01 0.00 0.00 175.02 176.98 1qig s SER 91 N -2.42 -0.54 0.52 3.03 0.15 -0.18 -4.88 113.70 109.39 1qig s SER 91 Ca 0.53 0.56 0.31 0.00 0.70 0.00 0.00 55.95 58.05 1qig s SER 91 Cb -0.10 0.44 1.15 0.00 -1.71 0.00 0.00 66.02 65.80 1qig s SER 91 CO 0.20 -0.51 1.91 -0.33 1.20 0.00 0.00 173.24 175.70 1qig h GLU 92 N 2.78 0.00 -5.56 5.44 5.08 -1.94 -3.16 114.58 117.22 1qig h GLU 92 Ca -0.24 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.47 1qig h GLU 92 Cb 1.16 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.27 1qig h GLU 92 CO 0.36 0.04 1.35 0.34 -1.00 0.00 0.00 179.01 180.09 1qig s ASP 93 N -5.85 6.65 0.00 1.42 2.15 -1.26 -4.37 116.67 115.42 1qig s ASP 93 Ca 0.02 -1.96 0.00 0.00 0.43 0.00 0.00 52.55 51.04 1qig s ASP 93 Cb 0.09 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1qig s ASP 93 CO 0.58 -1.23 0.34 0.00 -0.17 0.00 0.00 175.17 174.69 1qig s LEU 95 N -0.09 4.00 0.19 0.00 1.43 -1.26 -4.74 118.68 118.21 1qig s LEU 95 Ca 0.00 -2.31 0.03 0.00 -1.03 0.00 0.00 54.13 50.82 1qig s LEU 95 Cb 0.00 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 1qig s LEU 95 CO 0.00 -1.17 -0.01 -0.31 0.23 0.00 0.00 176.35 175.08 1qig s TYR 96 N 3.93 1.36 0.18 0.29 1.51 -1.26 -2.94 117.35 120.42 1qig s TYR 96 Ca 0.50 -0.94 0.05 0.00 -1.01 0.00 0.00 57.07 55.66 1qig s TYR 96 Cb 0.02 -0.77 -0.05 0.00 -0.11 0.00 0.00 41.96 41.05 1qig s TYR 96 CO 0.02 -0.10 -0.08 -0.48 -1.11 0.00 0.00 175.55 173.80 1qig s LEU 97 N -3.23 2.45 -0.03 -1.29 0.05 0.10 -3.14 118.68 113.60 1qig s LEU 97 Ca 0.25 -1.07 0.06 0.00 0.05 0.00 0.00 54.13 53.42 1qig s LEU 97 Cb 0.05 -0.37 -0.01 0.00 -2.05 0.00 0.00 46.19 43.81 1qig s LEU 97 CO 0.05 -0.36 -0.20 0.20 -0.55 0.00 0.00 176.35 175.49 1qig s ASN 98 N -3.22 2.41 -0.07 1.48 0.01 0.19 -1.17 114.94 114.57 1qig s ASN 98 Ca 0.21 -0.38 0.02 0.00 -0.71 0.00 0.00 52.86 51.99 1qig s ASN 98 Cb 0.03 -0.41 0.02 0.00 0.41 0.00 0.00 41.25 41.30 1qig s ASN 98 CO 0.03 0.23 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.12 1qig s ILE 99 N -0.32 1.01 -0.22 0.60 1.01 0.54 -1.31 121.20 122.51 1qig s ILE 99 Ca 0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 1qig s ILE 99 Cb -0.09 -0.95 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 1qig s ILE 99 CO 0.00 0.33 -0.01 0.26 0.00 0.00 0.00 174.94 175.53 1qig s TRP 100 N 0.81 3.00 -0.10 3.97 0.51 -0.10 0.14 118.94 127.16 1qig s TRP 100 Ca -0.12 -0.72 0.04 0.00 -2.12 0.00 0.00 56.10 53.18 1qig s TRP 100 Cb -0.15 -2.13 -0.00 0.00 -0.81 0.00 0.00 33.47 30.37 1qig s TRP 100 CO 0.02 -0.44 -0.23 0.08 -0.51 0.00 0.00 176.95 175.87 1qig s VAL 101 N 1.41 2.19 1.05 4.03 1.01 0.49 -1.88 120.40 128.70 1qig s VAL 101 Ca 0.05 -0.98 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 1qig s VAL 101 Cb -0.15 -1.84 0.16 0.00 0.00 0.00 0.00 36.38 34.55 1qig s VAL 101 CO -0.00 0.56 0.68 -2.65 0.00 0.00 0.00 175.10 173.69 1qig n PRO 102 N 3.48 -1.27 -4.03 2.72 -0.02 -1.26 -0.89 135.00 133.74 1qig n PRO 102 Ca -0.19 -0.33 -0.21 0.00 -2.02 0.00 0.00 63.50 60.75 1qig n PRO 102 Cb 0.53 -2.05 -0.17 0.00 -0.02 0.00 0.00 33.50 31.80 1qig n PRO 102 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1qig s SER 103 N -2.25 1.11 0.57 2.55 0.15 -1.26 -3.09 113.70 111.48 1qig s SER 103 Ca 0.63 -0.11 -0.19 0.00 0.70 0.00 0.00 55.95 56.97 1qig s SER 103 Cb -0.21 -0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 63.62 1qig s SER 103 CO 0.64 -0.10 1.19 -2.16 1.20 0.00 0.00 173.24 174.01 1qig s PRO 104 N 1.23 3.12 0.07 5.44 0.04 -1.26 -4.99 135.00 138.65 1qig s PRO 104 Ca -0.06 1.77 -0.36 0.00 0.04 0.00 0.00 61.00 62.39 1qig s PRO 104 Cb -0.14 -1.98 -0.16 0.00 0.04 0.00 0.00 34.50 32.27 1qig s PRO 104 CO -0.02 -1.07 1.47 -2.13 0.04 0.00 0.00 177.00 175.29 1qig n ARG 105 N -1.45 1.47 -1.15 4.56 0.63 -1.18 -4.95 116.66 114.60 1qig n ARG 105 Ca 0.13 0.53 -0.29 0.00 -0.92 0.00 0.00 57.85 57.30 1qig n ARG 105 Cb 0.50 -2.22 0.17 0.00 0.45 0.00 0.00 32.46 31.36 1qig n ARG 105 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1qig s PRO 106 N 1.05 0.54 -0.24 -0.14 0.02 -1.26 -5.01 135.00 129.95 1qig s PRO 106 Ca 0.85 0.60 -0.12 0.00 0.02 0.00 0.00 61.00 62.34 1qig s PRO 106 Cb -0.88 -1.74 -0.17 0.00 0.02 0.00 0.00 34.50 31.73 1qig s PRO 106 CO 0.46 -2.68 -0.08 1.63 -0.33 0.00 0.00 177.00 176.01 1qig n LYS 107 N -4.15 0.62 -2.79 5.54 4.76 -1.26 -4.10 118.16 116.78 1qig n LYS 107 Ca 0.05 0.33 -0.08 0.00 -2.87 0.00 0.00 58.31 55.75 1qig n LYS 107 Cb 0.57 -1.60 0.03 0.00 -1.84 0.00 0.00 35.03 32.19 1qig n LYS 107 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1qig n SER 108 N -4.03 -2.88 -4.92 4.39 2.88 -1.03 -4.51 113.62 103.52 1qig n SER 108 Ca -0.44 -3.15 -0.20 0.00 -1.33 0.00 0.00 58.87 53.75 1qig n SER 108 Cb 0.87 1.65 -0.02 0.00 -0.75 0.00 0.00 64.21 65.96 1qig n SER 108 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1qig s THR 109 N 0.65 3.48 0.33 2.46 -1.32 0.56 -4.50 115.64 117.30 1qig s THR 109 Ca 0.32 -1.19 -0.28 0.00 -1.21 0.00 0.00 61.69 59.32 1qig s THR 109 Cb 0.16 -3.20 -0.12 0.00 -1.51 0.00 0.00 72.50 67.83 1qig s THR 109 CO -0.19 -0.11 1.29 0.41 -2.21 0.00 0.00 174.62 173.81 1qig n THR 110 N -1.56 1.94 -4.93 5.08 -1.04 -1.26 -0.45 114.28 112.07 1qig n THR 110 Ca 0.01 -0.49 -0.33 0.00 -2.04 0.00 0.00 64.05 61.21 1qig n THR 110 Cb 0.59 -1.55 -0.13 0.00 -1.82 0.00 0.00 70.33 67.42 1qig n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1qig s VAL 111 N -1.03 2.95 -0.11 12.58 1.01 -0.90 -1.64 120.40 133.26 1qig s VAL 111 Ca 0.56 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1qig s VAL 111 Cb -0.58 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 33.67 1qig s VAL 111 CO 0.61 0.59 -0.11 -0.04 0.00 0.00 0.00 175.10 176.15 1qig s MET 112 N -0.63 1.78 -0.24 2.72 -1.94 -0.55 -0.86 119.30 119.57 1qig s MET 112 Ca 0.09 -0.37 -0.05 0.00 -1.71 0.00 0.00 55.69 53.65 1qig s MET 112 Cb -0.11 -1.68 -0.01 0.00 2.01 0.00 0.00 34.83 35.05 1qig s MET 112 CO 0.01 -0.18 0.00 0.08 -0.01 0.00 0.00 175.02 174.92 1qig s VAL 113 N 1.38 3.66 -0.07 -6.03 1.01 0.17 -0.15 120.40 120.36 1qig s VAL 113 Ca -0.00 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 1qig s VAL 113 Cb -0.13 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 1qig s VAL 113 CO -0.06 0.34 0.44 0.86 0.00 0.00 0.00 175.10 176.68 1qig s TRP 114 N 1.51 3.60 -0.24 5.22 -0.11 0.22 -1.14 118.94 127.99 1qig s TRP 114 Ca 0.05 0.92 0.02 0.00 1.22 0.00 0.00 56.10 58.31 1qig s TRP 114 Cb -0.15 -2.44 0.05 0.00 -1.50 0.00 0.00 33.47 29.42 1qig s TRP 114 CO -0.01 0.36 -0.13 0.42 -4.62 0.00 0.00 176.95 172.97 1qig s ILE 115 N -0.05 2.17 0.65 5.86 1.01 -0.22 -2.63 121.20 127.98 1qig s ILE 115 Ca 0.24 -1.42 -0.16 0.00 0.00 0.00 0.00 60.65 59.31 1qig s ILE 115 Cb -0.16 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 1qig s ILE 115 CO 0.11 0.13 1.12 -0.72 0.00 0.00 0.00 174.94 175.58 1qig s TYR 116 N 1.16 2.59 0.00 3.97 -0.85 -1.26 -3.61 117.35 119.35 1qig s TYR 116 Ca -0.05 1.55 0.00 0.00 -0.52 0.00 0.00 57.07 58.05 1qig s TYR 116 Cb -0.18 -3.21 0.00 0.00 0.38 0.00 0.00 41.96 38.95 1qig s TYR 116 CO -0.07 -1.73 0.00 0.41 -1.52 0.00 0.00 175.55 172.63 1qig n GLY 117 N -0.35 1.47 0.00 5.49 0.00 -1.16 -3.50 105.19 107.14 1qig n GLY 117 Ca 0.11 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1qig n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qig n GLY 118 N 5.00 0.56 2.60 -0.02 0.00 -1.26 -4.23 105.19 107.83 1qig n GLY 118 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1qig n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qig n GLY 119 N 0.00 1.46 2.87 -0.02 0.00 -1.26 -2.07 105.19 106.16 1qig n GLY 119 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1qig n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qig n PHE 120 N -2.40 0.00 -0.02 1.61 3.72 -1.26 -4.78 117.46 114.33 1qig n PHE 120 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1qig n PHE 120 Cb 0.57 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.10 1qig n PHE 120 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1qig n TYR 121 N -2.31 0.00 -3.67 1.38 0.18 -0.92 0.20 117.16 112.03 1qig n TYR 121 Ca 0.00 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.70 1qig n TYR 121 Cb 0.19 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.16 1qig n TYR 121 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1qig n SER 122 N -0.23 -1.63 0.00 9.48 3.41 -0.88 -3.86 113.62 119.91 1qig n SER 122 Ca 0.00 -2.27 0.00 0.00 -0.26 0.00 0.00 58.87 56.34 1qig n SER 122 Cb 0.00 2.75 0.00 0.00 -0.26 0.00 0.00 64.21 66.71 1qig n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qig n GLY 123 N -0.42 3.46 3.13 5.00 0.00 -1.26 -4.29 105.19 110.82 1qig n GLY 123 Ca -0.05 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 1qig n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qig s SER 124 N 0.00 0.00 0.00 1.61 0.01 -1.26 -4.70 113.70 109.36 1qig s SER 124 Ca 0.00 -0.19 0.26 0.00 1.31 0.00 0.00 55.95 57.33 1qig s SER 124 Cb 0.00 0.23 0.68 0.00 0.21 0.00 0.00 66.02 67.13 1qig s SER 124 CO 0.00 -0.40 1.52 -1.54 0.41 0.00 0.00 173.24 173.22 1qig n SER 125 N 1.33 0.83 -1.23 2.44 3.41 -1.26 -4.11 113.62 115.03 1qig n SER 125 Ca -0.22 -0.66 0.12 0.00 -0.26 0.00 0.00 58.87 57.84 1qig n SER 125 Cb 0.56 0.17 0.25 0.00 -0.26 0.00 0.00 64.21 64.94 1qig n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qig n THR 126 N -0.95 0.67 -1.76 6.66 -2.24 -1.26 -4.84 114.28 110.56 1qig n THR 126 Ca 0.10 -0.84 -0.35 0.00 -2.27 0.00 0.00 64.05 60.69 1qig n THR 126 Cb 0.34 0.82 0.06 0.00 -2.10 0.00 0.00 70.33 69.46 1qig n THR 126 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1qig s LEU 127 N -1.32 3.51 0.40 3.22 1.43 -1.26 -4.91 118.68 119.76 1qig s LEU 127 Ca 0.42 2.38 0.07 0.00 -1.03 0.00 0.00 54.13 55.97 1qig s LEU 127 Cb 0.24 -4.59 0.83 0.00 0.03 0.00 0.00 46.19 42.69 1qig s LEU 127 CO 0.32 -1.88 2.05 0.44 0.23 0.00 0.00 176.35 177.51 1qig h ASP 128 N 0.38 0.49 0.61 2.29 3.32 -1.94 -0.98 116.42 120.58 1qig h ASP 128 Ca -0.49 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1qig h ASP 128 Cb 1.30 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1qig h ASP 128 CO 0.53 0.37 0.00 1.33 -1.72 0.00 0.00 179.24 179.75 1qig n VAL 129 N -4.46 0.89 -0.61 -1.35 0.24 -1.26 -2.67 118.33 109.10 1qig n VAL 129 Ca 0.03 0.22 0.08 0.00 -2.04 0.00 0.00 64.34 62.63 1qig n VAL 129 Cb 0.07 -1.01 0.28 0.00 -1.47 0.00 0.00 33.84 31.71 1qig n VAL 129 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1qig n TYR 130 N -1.72 1.11 -1.91 6.34 4.01 -0.37 -4.73 117.16 119.88 1qig n TYR 130 Ca 0.03 -0.65 -0.43 0.00 -0.16 0.00 0.00 57.90 56.69 1qig n TYR 130 Cb 0.20 -0.21 -0.03 0.00 -0.31 0.00 0.00 39.34 38.99 1qig n TYR 130 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1qig s ASN 131 N -1.19 5.93 0.00 7.72 3.84 -1.09 -4.85 114.94 125.30 1qig s ASN 131 Ca 0.42 1.59 0.29 0.00 0.21 0.00 0.00 52.86 55.37 1qig s ASN 131 Cb 0.28 -2.52 1.70 0.00 -0.55 0.00 0.00 41.25 40.16 1qig s ASN 131 CO 0.18 -1.63 2.06 0.61 -2.79 0.00 0.00 177.10 175.54 1qig n GLY 132 N 5.28 -0.95 0.32 1.21 0.00 -1.26 -4.05 105.19 105.74 1qig n GLY 132 Ca 0.23 -0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 1qig n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qig h LYS 133 N 0.00 0.94 -0.05 1.61 2.10 -1.92 -1.25 116.57 118.00 1qig h LYS 133 Ca 0.00 -0.17 -0.01 0.00 -2.00 0.00 0.00 60.65 58.47 1qig h LYS 133 Cb 0.03 -0.15 -0.00 0.00 -0.90 0.00 0.00 32.23 31.21 1qig h LYS 133 CO 0.00 0.79 0.00 1.88 -2.00 0.00 0.00 179.45 180.13 1qig h TYR 134 N 0.91 0.09 -0.51 0.07 0.05 -1.81 -0.79 116.97 114.98 1qig h TYR 134 Ca 0.21 -0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.87 1qig h TYR 134 Cb 0.24 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 1qig h TYR 134 CO 0.02 0.36 -0.10 1.25 -1.05 0.00 0.00 178.16 178.64 1qig h LEU 135 N -0.21 0.97 -0.71 3.88 5.85 -1.69 0.56 115.31 123.96 1qig h LEU 135 Ca 0.01 -0.35 -0.10 0.00 0.84 0.00 0.00 57.88 58.29 1qig h LEU 135 Cb 0.32 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1qig h LEU 135 CO 0.00 1.09 -0.06 0.00 -0.34 0.00 0.00 178.44 179.13 1qig h ALA 136 N 0.91 0.91 0.27 1.25 0.00 -1.22 -1.70 119.26 119.67 1qig h ALA 136 Ca 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1qig h ALA 136 Cb 0.65 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1qig h ALA 136 CO 0.05 0.64 -0.13 -0.92 0.00 0.00 0.00 179.25 178.88 1qig h TYR 137 N 0.84 -0.33 -0.91 0.00 3.20 -0.97 -1.15 116.97 117.64 1qig h TYR 137 Ca 0.14 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1qig h TYR 137 Cb 0.59 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 1qig h TYR 137 CO 0.04 0.03 0.52 1.15 -1.64 0.00 0.00 178.16 178.25 1qig h THR 138 N -0.89 1.26 -0.02 1.81 2.02 -0.90 -3.15 112.91 113.05 1qig h THR 138 Ca -0.04 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1qig h THR 138 Cb 0.51 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1qig h THR 138 CO 0.06 0.28 -0.27 -0.62 0.37 0.00 0.00 175.52 175.34 1qig n GLU 139 N -4.34 1.58 -3.31 6.66 -0.58 -0.64 -5.01 120.64 115.01 1qig n GLU 139 Ca 0.10 -1.18 -0.16 0.00 -0.42 0.00 0.00 57.16 55.50 1qig n GLU 139 Cb 0.08 -1.38 0.07 0.00 -0.57 0.00 0.00 31.44 29.64 1qig n GLU 139 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1qig n GLU 140 N 0.34 -3.29 -4.24 3.49 1.02 -0.46 -5.03 120.64 112.48 1qig n GLU 140 Ca 0.09 0.85 -0.16 0.00 -0.02 0.00 0.00 57.16 57.93 1qig n GLU 140 Cb 0.44 -5.80 -0.10 0.00 -0.02 0.00 0.00 31.44 25.96 1qig n GLU 140 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1qig s VAL 141 N -3.39 1.20 -0.24 2.62 -7.23 -1.08 -4.72 120.40 107.56 1qig s VAL 141 Ca 0.35 -1.88 -0.22 0.00 -1.81 0.00 0.00 61.98 58.42 1qig s VAL 141 Cb -0.05 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 1qig s VAL 141 CO 0.74 -0.60 0.72 -0.69 -0.31 0.00 0.00 175.10 174.96 1qig s VAL 142 N -2.77 4.92 -0.22 1.32 1.01 -0.65 -4.50 120.40 119.52 1qig s VAL 142 Ca 0.12 1.34 -0.07 0.00 0.00 0.00 0.00 61.98 63.37 1qig s VAL 142 Cb -0.01 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1qig s VAL 142 CO 0.02 -0.01 0.07 -0.22 0.00 0.00 0.00 175.10 174.95 1qig s LEU 143 N 2.63 3.61 -0.06 3.92 1.98 -0.79 -1.48 118.68 128.48 1qig s LEU 143 Ca 0.30 -0.08 0.06 0.00 -2.89 0.00 0.00 54.13 51.53 1qig s LEU 143 Cb -0.15 -1.94 -0.01 0.00 0.66 0.00 0.00 46.19 44.75 1qig s LEU 143 CO 0.08 0.06 -0.25 -0.69 -1.89 0.00 0.00 176.35 173.67 1qig s VAL 144 N 1.04 2.04 -0.08 1.68 1.01 0.79 -0.93 120.40 125.95 1qig s VAL 144 Ca 0.04 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1qig s VAL 144 Cb -0.14 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1qig s VAL 144 CO 0.03 0.56 -0.17 -0.94 0.00 0.00 0.00 175.10 174.59 1qig s SER 145 N -0.08 2.26 0.39 3.32 1.04 -0.42 0.69 113.70 120.90 1qig s SER 145 Ca -0.06 -0.40 0.04 0.00 0.48 0.00 0.00 55.95 56.01 1qig s SER 145 Cb -0.14 -1.03 0.04 0.00 0.10 0.00 0.00 66.02 64.98 1qig s SER 145 CO 0.04 0.08 0.30 0.00 0.98 0.00 0.00 173.24 174.65 1qig n LEU 146 N 3.69 0.00 -4.18 2.42 -0.00 -1.08 -0.64 117.00 117.21 1qig n LEU 146 Ca -0.21 -2.04 -0.11 0.00 -0.00 0.00 0.00 56.01 53.64 1qig n LEU 146 Cb 0.52 -0.04 -0.10 0.00 -0.00 0.00 0.00 43.42 43.80 1qig n LEU 146 CO 0.26 -0.50 -0.34 -0.94 -0.00 0.00 0.00 177.39 175.87 1qig s SER 147 N -3.32 0.91 -0.04 1.45 1.04 -1.19 -4.57 113.70 107.98 1qig s SER 147 Ca 0.23 -1.11 -0.30 0.00 0.48 0.00 0.00 55.95 55.25 1qig s SER 147 Cb -0.02 0.16 0.07 0.00 0.10 0.00 0.00 66.02 66.33 1qig s SER 147 CO 0.15 -0.58 0.65 -0.72 0.98 0.00 0.00 173.24 173.72 1qig s TYR 148 N -3.76 -0.62 0.33 5.02 1.13 -1.26 -4.53 117.35 113.64 1qig s TYR 148 Ca 0.18 1.04 -0.29 0.00 -1.41 0.00 0.00 57.07 56.59 1qig s TYR 148 Cb 0.06 0.40 -0.10 0.00 -1.10 0.00 0.00 41.96 41.22 1qig s TYR 148 CO -0.01 -0.61 1.37 1.03 -2.51 0.00 0.00 175.55 174.83 1qig s ARG 149 N -1.31 4.29 0.46 -3.49 0.52 -1.26 -4.92 118.95 113.23 1qig s ARG 149 Ca -0.11 2.31 0.03 0.00 -0.52 0.00 0.00 55.73 57.45 1qig s ARG 149 Cb -0.00 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 1qig s ARG 149 CO 0.09 -0.31 0.02 0.14 0.02 0.00 0.00 175.30 175.26 1qig s VAL 150 N -0.91 1.37 0.00 3.52 -7.23 -1.26 -4.23 120.40 111.65 1qig s VAL 150 Ca 0.52 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1qig s VAL 150 Cb -0.42 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.07 1qig s VAL 150 CO 0.53 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.93 1qig n GLY 151 N -1.12 0.90 0.31 2.32 0.00 0.13 -2.81 105.19 104.93 1qig n GLY 151 Ca -0.13 -0.70 0.05 0.00 0.00 0.00 0.00 46.02 45.23 1qig n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qig h ALA 152 N -0.94 1.73 0.00 4.61 0.00 -1.89 -1.10 119.26 121.68 1qig h ALA 152 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1qig h ALA 152 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1qig h ALA 152 CO 0.00 0.24 -0.04 0.74 0.00 0.00 0.00 179.25 180.19 1qig h PHE 153 N 0.53 0.00 -0.00 0.00 0.04 -1.91 -2.06 116.94 113.55 1qig h PHE 153 Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1qig h PHE 153 Cb -0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1qig h PHE 153 CO -0.00 0.04 -0.19 0.41 -0.60 0.00 0.00 178.31 177.96 1qig n GLY 154 N -1.27 0.29 0.00 -1.45 0.00 -0.84 -4.19 105.19 97.73 1qig n GLY 154 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1qig n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qig n PHE 155 N -0.88 0.00 -1.70 1.61 3.72 -0.48 -0.42 117.46 119.31 1qig n PHE 155 Ca 0.01 -0.06 -0.42 0.00 -0.05 0.00 0.00 57.45 56.94 1qig n PHE 155 Cb 0.09 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1qig n PHE 155 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1qig s LEU 156 N -0.12 4.39 -0.17 4.37 2.96 -0.78 -4.49 118.68 124.84 1qig s LEU 156 Ca 0.00 2.82 -0.00 0.00 -0.22 0.00 0.00 54.13 56.73 1qig s LEU 156 Cb 0.00 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 43.15 1qig s LEU 156 CO 0.00 -1.00 -0.06 0.00 -1.32 0.00 0.00 176.35 173.97 1qig s ALA 157 N 2.19 1.53 -0.60 5.97 0.00 -1.26 -3.48 121.76 126.10 1qig s ALA 157 Ca 0.79 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.96 1qig s ALA 157 Cb -0.48 -1.13 0.25 0.00 0.00 0.00 0.00 23.12 21.77 1qig s ALA 157 CO 0.35 -0.76 0.73 1.28 0.00 0.00 0.00 175.76 177.36 1qig n LEU 158 N 4.86 3.34 -4.28 0.00 4.77 -0.05 -3.09 117.00 122.55 1qig n LEU 158 Ca -0.12 -5.36 -0.47 0.00 -0.03 0.00 0.00 56.01 50.02 1qig n LEU 158 Cb 0.48 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1qig n LEU 158 CO 0.17 2.08 0.00 1.57 -1.33 0.00 0.00 177.39 179.88 1qig n HIS 159 N 0.86 -0.45 0.00 -1.77 -0.00 -1.26 -2.29 115.22 110.30 1qig n HIS 159 Ca 0.29 0.95 0.00 0.00 -0.00 0.00 0.00 57.72 58.95 1qig n HIS 159 Cb 0.43 -1.91 0.00 0.00 -0.00 0.00 0.00 29.99 28.51 1qig n HIS 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qig n GLY 160 N 1.93 3.28 3.54 1.57 0.00 -1.26 -5.05 105.19 109.19 1qig n GLY 160 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1qig n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qig s SER 161 N -1.09 4.26 0.00 1.61 1.04 -0.97 -5.01 113.70 113.53 1qig s SER 161 Ca 0.00 -0.30 0.28 0.00 0.48 0.00 0.00 55.95 56.40 1qig s SER 161 Cb 0.00 -0.85 1.01 0.00 0.10 0.00 0.00 66.02 66.28 1qig s SER 161 CO 0.00 0.25 1.72 0.00 0.98 0.00 0.00 173.24 176.19 1qig n GLN 162 N 1.37 0.81 0.11 4.02 1.13 -1.26 -3.33 117.38 120.23 1qig n GLN 162 Ca -0.15 -0.39 0.02 0.00 -1.94 0.00 0.00 57.00 54.53 1qig n GLN 162 Cb 0.52 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 29.38 1qig n GLN 162 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1qig h GLU 163 N 0.95 0.00 -0.43 -1.09 4.39 -1.94 -3.41 114.58 113.06 1qig h GLU 163 Ca 0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 1qig h GLU 163 Cb 0.43 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 28.88 1qig h GLU 163 CO 0.00 0.48 -0.62 0.00 -1.16 0.00 0.00 179.01 177.71 1qig n ALA 164 N -2.26 -0.51 0.16 3.43 0.00 -1.25 -3.42 120.51 116.66 1qig n ALA 164 Ca -0.00 -1.84 0.03 0.00 0.00 0.00 0.00 53.44 51.63 1qig n ALA 164 Cb 0.76 -1.20 0.42 0.00 0.00 0.00 0.00 19.45 19.43 1qig n ALA 164 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qig h PRO 165 N 3.79 0.13 0.00 0.00 0.13 -1.75 -0.11 132.00 134.18 1qig h PRO 165 Ca -0.09 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1qig h PRO 165 Cb 1.01 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1qig h PRO 165 CO 0.33 0.32 0.00 0.41 -0.23 0.00 0.00 178.00 178.83 1qig n GLY 166 N -0.84 1.88 2.67 1.56 0.00 -1.23 -4.32 105.19 104.90 1qig n GLY 166 Ca -0.01 -2.02 -0.05 0.00 0.00 0.00 0.00 46.02 43.94 1qig n GLY 166 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qig n ASN 167 N 0.00 -4.75 0.29 1.61 3.02 -1.26 -4.78 115.26 109.39 1qig n ASN 167 Ca 0.00 0.12 0.16 0.00 -0.03 0.00 0.00 54.58 54.83 1qig n ASN 167 Cb 0.00 -3.24 0.88 0.00 -0.61 0.00 0.00 39.78 36.81 1qig n ASN 167 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1qig h VAL 168 N 0.00 0.37 -0.19 2.41 -1.51 -1.87 0.20 116.25 115.66 1qig h VAL 168 Ca -0.10 -0.28 -0.10 0.00 -1.23 0.00 0.00 66.70 64.99 1qig h VAL 168 Cb 0.89 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.24 1qig h VAL 168 CO 0.14 0.05 -0.33 1.23 -1.23 0.00 0.00 177.57 177.44 1qig h GLY 169 N 0.57 0.42 1.65 5.19 0.00 -0.98 -1.13 103.07 108.79 1qig h GLY 169 Ca -0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 47.33 46.77 1qig h GLY 169 CO 0.01 0.33 -0.84 1.41 0.00 0.00 0.00 176.54 177.45 1qig h LEU 170 N 0.33 0.40 -1.12 3.11 3.38 -1.25 -2.96 115.31 117.21 1qig h LEU 170 Ca 0.04 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1qig h LEU 170 Cb 0.74 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1qig h LEU 170 CO 0.06 1.08 -0.14 -0.07 0.09 0.00 0.00 178.44 179.45 1qig h LEU 171 N 0.20 0.44 -0.08 1.67 3.38 -0.98 -0.94 115.31 118.99 1qig h LEU 171 Ca -0.05 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1qig h LEU 171 Cb 1.45 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1qig h LEU 171 CO 0.14 0.61 -0.02 0.44 0.09 0.00 0.00 178.44 179.70 1qig h ASP 172 N 0.42 -0.08 -0.38 -0.43 3.32 -1.06 0.15 116.42 118.37 1qig h ASP 172 Ca 0.08 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1qig h ASP 172 Cb 0.50 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 1qig h ASP 172 CO 0.03 -0.03 0.19 1.56 -1.72 0.00 0.00 179.24 179.28 1qig h GLN 173 N 0.00 0.39 -0.63 3.56 4.20 -1.28 -1.21 115.11 120.14 1qig h GLN 173 Ca 0.04 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.75 1qig h GLN 173 Cb 0.06 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1qig h GLN 173 CO -0.08 0.26 0.42 -0.09 -0.67 0.00 0.00 178.83 178.66 1qig h ARG 174 N 0.40 0.77 -0.40 1.46 2.43 -0.77 -0.29 114.38 117.97 1qig h ARG 174 Ca 0.16 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 1qig h ARG 174 Cb 0.05 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1qig h ARG 174 CO -0.10 0.51 -0.27 1.98 -1.51 0.00 0.00 179.97 180.57 1qig h MET 175 N 0.79 0.85 -0.37 0.20 4.05 0.32 0.61 114.93 121.38 1qig h MET 175 Ca 0.24 -0.38 -0.10 0.00 -0.28 0.00 0.00 59.70 59.18 1qig h MET 175 Cb 0.00 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 1qig h MET 175 CO -0.06 1.02 -0.18 0.00 0.23 0.00 0.00 176.91 177.92 1qig h ALA 176 N 0.96 1.00 -0.28 0.39 0.00 -0.45 -1.54 119.26 119.34 1qig h ALA 176 Ca 0.09 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1qig h ALA 176 Cb 0.82 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1qig h ALA 176 CO 0.07 0.59 -0.29 -0.07 0.00 0.00 0.00 179.25 179.55 1qig h LEU 177 N 0.62 0.59 -0.71 0.00 3.38 -0.66 -1.62 115.31 116.91 1qig h LEU 177 Ca 0.10 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1qig h LEU 177 Cb 0.65 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1qig h LEU 177 CO 0.05 0.86 0.20 -0.61 0.09 0.00 0.00 178.44 179.02 1qig h GLN 178 N 0.50 1.11 -0.45 1.13 5.75 -0.39 -0.23 115.11 122.54 1qig h GLN 178 Ca 0.06 -0.25 -0.03 0.00 -0.15 0.00 0.00 58.65 58.28 1qig h GLN 178 Cb 0.76 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 1qig h GLN 178 CO 0.06 0.97 0.15 2.35 -2.65 0.00 0.00 178.83 179.70 1qig h TRP 179 N 1.05 0.71 -0.56 3.99 7.01 -0.97 -0.99 115.95 126.20 1qig h TRP 179 Ca 0.23 -0.07 0.01 0.00 2.11 0.00 0.00 58.89 61.17 1qig h TRP 179 Cb 0.33 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 1qig h TRP 179 CO 0.03 0.64 0.36 0.28 -2.79 0.00 0.00 178.44 176.95 1qig h VAL 180 N 0.58 1.11 -0.83 2.65 2.07 -0.95 0.36 116.25 121.25 1qig h VAL 180 Ca 0.14 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1qig h VAL 180 Cb 0.25 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1qig h VAL 180 CO -0.01 0.13 0.49 -0.74 0.02 0.00 0.00 177.57 177.46 1qig h HIS 181 N 0.72 1.10 0.00 1.57 -0.00 -0.72 -1.08 115.15 116.74 1qig h HIS 181 Ca 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1qig h HIS 181 Cb -0.05 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 27.00 1qig h HIS 181 CO -0.04 0.74 -0.67 -0.44 -0.00 0.00 0.00 177.93 177.51 1qig h ASP 182 N 1.14 0.00 0.00 3.26 3.32 -0.44 -3.42 116.42 120.28 1qig h ASP 182 Ca 0.30 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1qig h ASP 182 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1qig h ASP 182 CO -0.05 0.05 -0.28 0.59 -1.72 0.00 0.00 179.24 177.83 1qig n ASN 183 N -2.43 1.40 0.29 6.45 3.02 0.12 -4.80 115.26 119.31 1qig n ASN 183 Ca 0.02 -0.14 0.20 0.00 -0.03 0.00 0.00 54.58 54.63 1qig n ASN 183 Cb 0.49 0.57 1.05 0.00 -0.61 0.00 0.00 39.78 41.27 1qig n ASN 183 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1qig h ILE 184 N 0.00 0.00 -0.06 2.41 6.09 -1.35 -1.41 117.51 123.19 1qig h ILE 184 Ca 0.00 -0.01 -0.05 0.00 -1.37 0.00 0.00 64.86 63.43 1qig h ILE 184 Cb 0.00 0.87 -0.01 0.00 0.47 0.00 0.00 36.82 38.15 1qig h ILE 184 CO 0.00 0.00 -0.21 0.06 -3.07 0.00 0.00 178.15 174.93 1qig h GLN 185 N 0.00 0.10 0.00 2.19 3.07 -1.80 -0.16 115.11 118.51 1qig h GLN 185 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1qig h GLN 185 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1qig h GLN 185 CO 0.00 0.31 0.00 1.19 0.09 0.00 0.00 178.83 180.42 1qig n PHE 186 N -4.25 0.00 0.30 0.06 3.72 -0.53 -2.43 117.46 114.33 1qig n PHE 186 Ca -0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.46 1qig n PHE 186 Cb 0.29 -0.41 0.12 0.00 -0.94 0.00 0.00 39.48 38.54 1qig n PHE 186 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1qig n PHE 187 N -1.41 0.25 -0.08 1.38 3.01 -0.66 -4.83 117.46 115.12 1qig n PHE 187 Ca 0.08 -0.19 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1qig n PHE 187 Cb 0.23 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 1qig n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qig n GLY 188 N 0.89 0.54 3.87 1.37 0.00 -1.02 -4.59 105.19 106.24 1qig n GLY 188 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1qig n GLY 188 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qig s GLY 189 N -1.09 2.28 -0.40 -0.02 0.00 -0.16 -0.33 107.32 107.60 1qig s GLY 189 Ca 0.00 -0.16 -0.19 0.00 0.00 0.00 0.00 44.72 44.37 1qig s GLY 189 CO 0.00 -0.00 0.53 -0.35 0.00 0.00 0.00 173.10 173.28 1qig s ASP 190 N -2.37 6.27 0.24 1.64 2.15 0.40 -3.33 116.67 121.67 1qig s ASP 190 Ca 0.50 -0.36 0.21 0.00 0.43 0.00 0.00 52.55 53.33 1qig s ASP 190 Cb -0.11 -2.27 0.94 0.00 -0.30 0.00 0.00 42.92 41.19 1qig s ASP 190 CO 0.20 -0.61 1.63 -0.81 -0.17 0.00 0.00 175.17 175.41 1qig n PRO 191 N 5.86 0.15 -0.09 4.34 -0.04 -1.26 -1.68 135.00 142.27 1qig n PRO 191 Ca -0.05 0.47 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 1qig n PRO 191 Cb 0.48 -1.84 0.34 0.00 -0.04 0.00 0.00 33.50 32.44 1qig n PRO 191 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1qig n LYS 192 N -2.13 1.92 -2.97 0.54 2.85 -1.26 -4.29 118.16 112.82 1qig n LYS 192 Ca 0.01 -1.38 -0.18 0.00 -1.05 0.00 0.00 58.31 55.72 1qig n LYS 192 Cb 0.15 -1.43 -0.01 0.00 -0.65 0.00 0.00 35.03 33.09 1qig n LYS 192 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1qig n THR 193 N 0.61 0.75 -4.02 0.58 -1.04 -0.68 -4.75 114.28 105.74 1qig n THR 193 Ca 0.17 -4.35 -0.35 0.00 -2.04 0.00 0.00 64.05 57.48 1qig n THR 193 Cb 0.40 -0.24 -0.10 0.00 -1.82 0.00 0.00 70.33 68.57 1qig n THR 193 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1qig s VAL 194 N -3.10 4.66 -0.20 12.58 0.11 -1.26 -2.11 120.40 131.09 1qig s VAL 194 Ca 0.38 -0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 59.31 1qig s VAL 194 Cb 0.37 -3.11 -0.02 0.00 -1.53 0.00 0.00 36.38 32.09 1qig s VAL 194 CO -0.06 0.45 0.00 -0.89 -3.33 0.00 0.00 175.10 171.27 1qig s THR 195 N 0.51 3.97 -0.08 5.04 2.01 -0.04 -0.76 115.64 126.30 1qig s THR 195 Ca 0.03 -0.31 -0.11 0.00 0.31 0.00 0.00 61.69 61.61 1qig s THR 195 Cb -0.13 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 1qig s THR 195 CO 0.01 0.43 0.25 0.27 -0.69 0.00 0.00 174.62 174.89 1qig s ILE 196 N 0.98 5.31 -0.02 1.82 -4.36 -0.87 -0.66 121.20 123.40 1qig s ILE 196 Ca 0.02 0.48 -0.08 0.00 -0.26 0.00 0.00 60.65 60.80 1qig s ILE 196 Cb -0.14 -3.54 0.01 0.00 1.25 0.00 0.00 42.46 40.04 1qig s ILE 196 CO 0.02 0.58 0.18 0.72 0.24 0.00 0.00 174.94 176.68 1qig s PHE 197 N -0.91 -0.05 0.24 1.37 -0.71 -0.29 -1.01 117.98 116.61 1qig s PHE 197 Ca 0.18 0.08 -0.22 0.00 -1.04 0.00 0.00 56.93 55.93 1qig s PHE 197 Cb -0.14 0.00 0.03 0.00 -1.21 0.00 0.00 43.02 41.71 1qig s PHE 197 CO 0.07 -0.26 0.75 0.20 -1.34 0.00 0.00 175.22 174.65 1qig s GLY 198 N -1.02 -0.18 0.01 1.99 0.00 -1.09 -1.06 107.32 105.97 1qig s GLY 198 Ca -0.11 -0.12 0.07 0.00 0.00 0.00 0.00 44.72 44.56 1qig s GLY 198 CO 0.02 -0.04 -0.21 1.85 0.00 0.00 0.00 173.10 174.72 1qig s GLU 199 N -3.77 1.57 7.90 2.90 -6.30 -1.24 -1.08 118.70 118.69 1qig s GLU 199 Ca 0.10 -0.86 0.00 0.00 -2.50 0.00 0.00 54.97 51.71 1qig s GLU 199 Cb -0.05 -1.61 0.00 0.00 0.00 0.00 0.00 34.13 32.48 1qig s GLU 199 CO 0.04 0.43 0.00 0.45 0.02 0.00 0.00 175.26 176.19 1qig n SER 200 N 2.19 0.00 0.06 -1.70 2.88 -0.12 -0.84 113.62 116.09 1qig n SER 200 Ca -0.16 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.53 1qig n SER 200 Cb 0.53 0.00 0.64 0.00 -0.75 0.00 0.00 64.21 64.63 1qig n SER 200 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qig h ALA 201 N -0.99 2.26 -0.17 -1.46 0.00 -1.87 0.16 119.26 117.19 1qig h ALA 201 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1qig h ALA 201 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qig h ALA 201 CO 0.00 -0.36 -0.46 0.78 0.00 0.00 0.00 179.25 179.21 1qig h GLY 202 N 0.08 0.46 1.63 0.00 0.00 -1.03 0.14 103.07 104.36 1qig h GLY 202 Ca 0.18 -0.49 -0.17 0.00 0.00 0.00 0.00 47.33 46.86 1qig h GLY 202 CO -0.02 0.44 -0.67 -1.33 0.00 0.00 0.00 176.54 174.96 1qig h GLY 203 N 1.17 0.41 1.32 4.60 0.00 -0.77 -1.53 103.07 108.26 1qig h GLY 203 Ca 0.02 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 46.67 1qig h GLY 203 CO 0.08 0.48 -0.36 0.00 0.00 0.00 0.00 176.54 176.74 1qig h ALA 204 N 1.02 0.74 -0.35 3.60 0.00 -0.71 -2.39 119.26 121.18 1qig h ALA 204 Ca -0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1qig h ALA 204 Cb 1.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1qig h ALA 204 CO 0.11 0.66 0.16 0.77 0.00 0.00 0.00 179.25 180.95 1qig h SER 205 N 0.63 0.46 -0.70 0.00 0.02 -0.51 -1.26 113.55 112.18 1qig h SER 205 Ca 0.06 -0.13 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1qig h SER 205 Cb 0.91 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.27 1qig h SER 205 CO 0.08 0.47 0.41 0.58 -1.14 0.00 0.00 176.83 177.23 1qig h VAL 206 N 0.42 1.01 -0.03 2.27 2.07 -1.17 -0.62 116.25 120.21 1qig h VAL 206 Ca 0.12 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1qig h VAL 206 Cb 0.13 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1qig h VAL 206 CO -0.01 0.14 -0.27 1.23 0.02 0.00 0.00 177.57 178.68 1qig h GLY 207 N 0.77 0.05 2.00 2.17 0.00 -1.12 -2.56 103.07 104.39 1qig h GLY 207 Ca 0.31 -0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.48 1qig h GLY 207 CO -0.16 0.04 -0.56 -0.33 0.00 0.00 0.00 176.54 175.53 1qig h MET 208 N 0.05 0.00 0.00 4.80 2.86 0.06 -2.47 114.93 120.22 1qig h MET 208 Ca 0.01 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1qig h MET 208 Cb 0.51 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1qig h MET 208 CO 0.04 0.56 -0.68 0.45 1.06 0.00 0.00 176.91 178.34 1qig h HIS 209 N 0.00 0.00 -0.21 -0.22 3.86 -0.96 0.93 115.15 118.56 1qig h HIS 209 Ca -0.01 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 1qig h HIS 209 Cb 1.11 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.57 1qig h HIS 209 CO 0.00 0.68 -0.41 0.82 0.86 0.00 0.00 177.93 179.88 1qig h ILE 210 N 0.00 1.30 0.16 2.45 2.04 -1.24 -3.23 117.51 118.99 1qig h ILE 210 Ca -0.01 -1.57 -0.26 0.00 1.00 0.00 0.00 64.86 64.02 1qig h ILE 210 Cb 1.38 1.59 0.02 0.00 -0.74 0.00 0.00 36.82 39.07 1qig h ILE 210 CO 0.09 0.49 -1.24 -0.07 0.00 0.00 0.00 178.15 177.42 1qig h LEU 211 N 0.40 0.52 -9.14 1.44 3.38 -1.20 -0.33 115.31 110.38 1qig h LEU 211 Ca 0.03 -0.91 -0.56 0.00 0.09 0.00 0.00 57.88 56.53 1qig h LEU 211 Cb 0.89 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1qig h LEU 211 CO 0.08 1.57 1.10 -0.55 0.09 0.00 0.00 178.44 180.73 1qig s SER 212 N -7.14 6.53 0.30 -0.43 0.15 0.30 -4.69 113.70 108.71 1qig s SER 212 Ca -0.15 1.89 0.04 0.00 0.70 0.00 0.00 55.95 58.43 1qig s SER 212 Cb 0.03 -2.53 0.76 0.00 -1.71 0.00 0.00 66.02 62.57 1qig s SER 212 CO 0.83 -1.09 1.67 -0.65 1.20 0.00 0.00 173.24 175.20 1qig h PRO 213 N 10.12 0.31 0.00 5.44 0.11 -1.87 -1.06 132.00 145.05 1qig h PRO 213 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1qig h PRO 213 Cb 1.16 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1qig h PRO 213 CO 0.98 0.20 0.00 0.41 -0.21 0.00 0.00 178.00 179.38 1qig n GLY 214 N -1.35 -0.85 0.02 -0.55 0.00 -1.26 -3.33 105.19 97.87 1qig n GLY 214 Ca 0.23 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1qig n GLY 214 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qig n SER 215 N -1.34 2.87 -0.34 1.61 7.64 -0.42 -4.74 113.62 118.91 1qig n SER 215 Ca 0.06 0.00 0.19 0.00 1.01 0.00 0.00 58.87 60.14 1qig n SER 215 Cb 0.14 1.21 0.42 0.00 -1.01 0.00 0.00 64.21 64.96 1qig n SER 215 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1qig h ARG 216 N 0.00 0.51 -0.00 1.43 3.08 -1.52 -1.21 114.38 116.68 1qig h ARG 216 Ca -0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1qig h ARG 216 Cb 0.76 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1qig h ARG 216 CO 0.00 0.34 -0.01 -0.25 -1.07 0.00 0.00 179.97 178.99 1qig n ASP 217 N -4.81 0.03 -0.35 7.04 8.00 -1.26 -3.82 116.55 121.38 1qig n ASP 217 Ca 0.27 -0.39 0.14 0.00 0.71 0.00 0.00 54.79 55.51 1qig n ASP 217 Cb 0.79 -0.20 0.59 0.00 -0.02 0.00 0.00 41.12 42.28 1qig n ASP 217 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1qig n LEU 218 N -1.19 1.13 -3.73 0.64 4.77 -0.46 -4.92 117.00 113.24 1qig n LEU 218 Ca 0.17 -0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 55.69 1qig n LEU 218 Cb 0.21 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1qig n LEU 218 CO 0.22 0.19 0.18 0.72 -1.33 0.00 0.00 177.39 177.37 1qig s PHE 219 N -2.09 -0.07 -0.22 -1.77 -0.71 -1.25 -4.83 117.98 107.04 1qig s PHE 219 Ca 0.38 -0.26 -0.16 0.00 -1.04 0.00 0.00 56.93 55.84 1qig s PHE 219 Cb 0.21 0.26 -0.11 0.00 -1.21 0.00 0.00 43.02 42.17 1qig s PHE 219 CO 0.37 -0.79 -0.18 -2.13 -1.34 0.00 0.00 175.22 171.15 1qig n ARG 220 N -0.27 0.55 -4.44 1.99 3.00 0.06 -4.96 116.66 112.60 1qig n ARG 220 Ca -0.12 0.38 -0.22 0.00 -0.00 0.00 0.00 57.85 57.89 1qig n ARG 220 Cb 0.63 -1.58 -0.10 0.00 0.00 0.00 0.00 32.46 31.41 1qig n ARG 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1qig s ARG 221 N -2.51 1.68 -0.05 -0.14 0.52 -1.13 -4.63 118.95 112.69 1qig s ARG 221 Ca -0.31 -1.96 -0.12 0.00 -0.52 0.00 0.00 55.73 52.82 1qig s ARG 221 Cb 0.09 -0.64 0.02 0.00 0.52 0.00 0.00 34.95 34.94 1qig s ARG 221 CO 0.47 -0.30 0.28 0.00 0.02 0.00 0.00 175.30 175.77 1qig s ALA 222 N -3.38 -0.70 -0.09 2.13 0.00 -1.20 -2.05 121.76 116.47 1qig s ALA 222 Ca 0.33 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.77 1qig s ALA 222 Cb 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1qig s ALA 222 CO 0.15 -0.21 -0.15 0.42 0.00 0.00 0.00 175.76 175.98 1qig s ILE 223 N -0.76 1.40 -0.21 0.00 1.01 -0.18 -2.06 121.20 120.39 1qig s ILE 223 Ca -0.09 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1qig s ILE 223 Cb -0.04 -1.27 0.03 0.00 0.01 0.00 0.00 42.46 41.18 1qig s ILE 223 CO 0.02 0.42 -0.15 -0.76 0.00 0.00 0.00 174.94 174.47 1qig s LEU 224 N 0.84 2.58 -0.28 2.97 1.02 -0.52 -2.67 118.68 122.63 1qig s LEU 224 Ca -0.10 -0.80 -0.07 0.00 0.02 0.00 0.00 54.13 53.18 1qig s LEU 224 Cb -0.15 -1.54 -0.00 0.00 0.02 0.00 0.00 46.19 44.52 1qig s LEU 224 CO 0.01 -0.05 0.08 -1.10 0.02 0.00 0.00 176.35 175.30 1qig s GLN 225 N 1.27 3.28 -1.49 1.70 -0.21 -0.24 -2.52 119.66 121.46 1qig s GLN 225 Ca 0.02 -0.73 -0.06 0.00 0.02 0.00 0.00 55.36 54.61 1qig s GLN 225 Cb -0.15 -3.35 0.05 0.00 1.00 0.00 0.00 33.01 30.55 1qig s GLN 225 CO -0.10 -0.36 0.56 0.43 -2.12 0.00 0.00 175.29 173.70 1qig n SER 226 N 4.89 -1.41 -3.64 5.90 7.64 0.01 -0.95 113.62 126.07 1qig n SER 226 Ca -0.15 -0.99 -0.04 0.00 1.01 0.00 0.00 58.87 58.70 1qig n SER 226 Cb 0.49 -3.06 -0.06 0.00 -1.01 0.00 0.00 64.21 60.57 1qig n SER 226 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1qig s GLY 227 N -4.02 0.18 0.05 0.23 0.00 -1.26 -3.37 107.32 99.12 1qig s GLY 227 Ca 0.24 3.15 -0.09 0.00 0.00 0.00 0.00 44.72 48.02 1qig s GLY 227 CO 0.89 1.70 0.18 -1.35 0.00 0.00 0.00 173.10 174.52 1qig s SER 228 N -0.22 0.07 0.49 1.64 1.04 -1.26 -3.96 113.70 111.50 1qig s SER 228 Ca 0.06 -0.45 0.19 0.00 0.48 0.00 0.00 55.95 56.23 1qig s SER 228 Cb -0.04 0.29 1.23 0.00 0.10 0.00 0.00 66.02 67.60 1qig s SER 228 CO -0.11 -0.58 2.02 1.55 0.98 0.00 0.00 173.24 177.09 1qig h PRO 229 N 3.35 0.16 -0.62 4.02 0.13 -1.81 -2.61 132.00 134.62 1qig h PRO 229 Ca -0.33 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1qig h PRO 229 Cb 1.19 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1qig h PRO 229 CO 0.50 0.10 0.00 0.27 -0.23 0.00 0.00 178.00 178.65 1qig n ASN 230 N -4.44 2.78 -4.77 1.44 6.94 -1.26 -4.75 115.26 111.20 1qig n ASN 230 Ca 0.07 -2.27 -0.39 0.00 -0.02 0.00 0.00 54.58 51.98 1qig n ASN 230 Cb 0.42 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 1qig n ASN 230 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qig n PRO 232 N -0.17 0.07 -0.00 0.00 -0.04 -1.26 -2.17 135.00 131.43 1qig n PRO 232 Ca 0.05 0.57 0.07 0.00 -0.04 0.00 0.00 63.50 64.16 1qig n PRO 232 Cb 0.45 -1.75 -0.10 0.00 -0.04 0.00 0.00 33.50 32.06 1qig n PRO 232 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1qig n TRP 233 N -1.91 0.00 0.92 0.54 4.27 -1.26 -4.64 117.44 115.37 1qig n TRP 233 Ca -0.01 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.71 1qig n TRP 233 Cb 0.02 -0.20 0.53 0.00 -1.36 0.00 0.00 31.31 30.30 1qig n TRP 233 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1qig n ALA 234 N -1.74 2.10 -3.48 -1.67 0.00 -0.92 -4.65 120.51 110.15 1qig n ALA 234 Ca -0.01 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 1qig n ALA 234 Cb 0.32 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 1qig n ALA 234 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qig s SER 235 N -2.79 -0.44 0.19 0.00 1.04 -1.26 -3.55 113.70 106.89 1qig s SER 235 Ca 0.16 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.57 1qig s SER 235 Cb 0.15 0.48 -0.05 0.00 0.10 0.00 0.00 66.02 66.71 1qig s SER 235 CO 0.38 -0.79 0.06 0.68 0.98 0.00 0.00 173.24 174.55 1qig s VAL 236 N -3.40 0.42 0.80 5.02 -7.23 -0.41 -4.98 120.40 110.63 1qig s VAL 236 Ca 0.04 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.12 1qig s VAL 236 Cb -0.01 -2.29 0.07 0.00 0.56 0.00 0.00 36.38 34.72 1qig s VAL 236 CO -0.10 -0.29 1.12 -0.94 -0.31 0.00 0.00 175.10 174.59 1qig s SER 237 N -3.18 4.50 0.36 4.85 1.04 -1.26 -1.92 113.70 118.09 1qig s SER 237 Ca 0.30 1.07 0.09 0.00 0.48 0.00 0.00 55.95 57.89 1qig s SER 237 Cb 0.07 -1.74 0.68 0.00 0.10 0.00 0.00 66.02 65.14 1qig s SER 237 CO 0.07 -1.94 1.85 -0.37 0.98 0.00 0.00 173.24 173.83 1qig h VAL 238 N -1.07 1.22 -0.22 5.02 -1.51 -1.94 -0.55 116.25 117.20 1qig h VAL 238 Ca -0.47 -1.02 -0.03 0.00 -1.23 0.00 0.00 66.70 63.95 1qig h VAL 238 Cb 1.29 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 31.81 1qig h VAL 238 CO 0.62 0.31 0.01 0.00 -1.23 0.00 0.00 177.57 177.28 1qig h ALA 239 N 1.57 0.29 -0.07 5.19 0.00 -1.95 0.98 119.26 125.27 1qig h ALA 239 Ca 0.04 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1qig h ALA 239 Cb 0.51 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1qig h ALA 239 CO 0.03 0.00 -0.48 1.49 0.00 0.00 0.00 179.25 180.30 1qig h GLU 240 N 0.15 0.17 -0.12 0.00 4.57 -1.89 0.27 114.58 117.73 1qig h GLU 240 Ca 0.06 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1qig h GLU 240 Cb 0.38 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1qig h GLU 240 CO 0.01 0.61 0.04 0.78 -1.18 0.00 0.00 179.01 179.27 1qig h GLY 241 N 1.35 0.19 0.98 1.92 0.00 -0.85 -1.29 103.07 105.38 1qig h GLY 241 Ca 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1qig h GLY 241 CO 0.07 0.10 0.16 -0.09 0.00 0.00 0.00 176.54 176.78 1qig h ARG 242 N 0.02 0.35 -0.78 4.80 2.43 -0.58 -1.81 114.38 118.81 1qig h ARG 242 Ca 0.04 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 1qig h ARG 242 Cb 0.20 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.61 1qig h ARG 242 CO -0.00 0.27 0.45 -0.09 -1.51 0.00 0.00 179.97 179.09 1qig h ARG 243 N 0.33 0.76 -0.13 0.20 2.43 -0.78 -1.99 114.38 115.19 1qig h ARG 243 Ca 0.09 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.07 1qig h ARG 243 Cb 0.01 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1qig h ARG 243 CO -0.02 0.50 -0.57 0.00 -1.51 0.00 0.00 179.97 178.37 1qig h ARG 244 N 0.78 0.41 -0.59 0.20 3.08 -0.98 -2.29 114.38 114.99 1qig h ARG 244 Ca 0.36 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1qig h ARG 244 Cb 0.28 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1qig h ARG 244 CO -0.22 0.87 0.11 0.00 -1.07 0.00 0.00 179.97 179.66 1qig h ALA 245 N 1.08 0.78 -0.52 0.04 0.00 -0.90 -0.70 119.26 119.04 1qig h ALA 245 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1qig h ALA 245 Cb 1.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1qig h ALA 245 CO 0.10 0.52 -0.09 0.28 0.00 0.00 0.00 179.25 180.05 1qig h VAL 246 N 0.87 1.27 -0.05 0.00 2.07 -1.34 -2.03 116.25 117.04 1qig h VAL 246 Ca 0.18 -1.24 -0.10 0.00 0.82 0.00 0.00 66.70 66.36 1qig h VAL 246 Cb 0.40 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1qig h VAL 246 CO 0.01 0.44 -0.42 -0.08 0.02 0.00 0.00 177.57 177.53 1qig h GLU 247 N 0.86 0.12 -0.38 1.57 4.57 -1.26 -0.92 114.58 119.14 1qig h GLU 247 Ca 0.14 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1qig h GLU 247 Cb 0.66 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 1qig h GLU 247 CO 0.05 0.52 0.08 1.25 -1.18 0.00 0.00 179.01 179.73 1qig h LEU 248 N 0.10 0.59 -1.46 1.64 5.85 -0.82 -2.15 115.31 119.06 1qig h LEU 248 Ca 0.01 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1qig h LEU 248 Cb 0.79 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1qig h LEU 248 CO 0.06 0.68 -0.07 1.23 -0.34 0.00 0.00 178.44 180.01 1qig h GLY 249 N 0.47 0.29 1.96 3.75 0.00 -0.83 -2.45 103.07 106.26 1qig h GLY 249 Ca 0.12 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.16 1qig h GLY 249 CO 0.00 0.15 -0.59 -0.09 0.00 0.00 0.00 176.54 176.01 1qig h ARG 250 N 0.26 0.04 0.00 4.80 2.43 -0.77 0.14 114.38 121.29 1qig h ARG 250 Ca 0.06 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1qig h ARG 250 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1qig h ARG 250 CO 0.01 0.62 0.00 -0.91 -1.51 0.00 0.00 179.97 178.19 1qig h ASN 251 N 0.03 0.00 -0.26 -3.80 2.35 -0.91 -2.87 115.58 110.13 1qig h ASN 251 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1qig h ASN 251 Cb 1.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1qig h ASN 251 CO 0.08 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 176.04 1qig n LEU 252 N -2.77 3.83 -3.69 1.61 4.77 -1.07 -4.99 117.00 114.68 1qig n LEU 252 Ca 0.02 -2.97 -0.26 0.00 -0.03 0.00 0.00 56.01 52.77 1qig n LEU 252 Cb 0.36 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 40.94 1qig n LEU 252 CO 0.28 0.68 -0.09 0.59 -1.33 0.00 0.00 177.39 177.51 1qig n ASN 253 N -0.48 -5.35 -4.73 -1.43 3.02 -1.04 -4.98 115.26 100.28 1qig n ASN 253 Ca 0.21 -0.89 -0.23 0.00 -0.03 0.00 0.00 54.58 53.64 1qig n ASN 253 Cb 0.87 -2.71 -0.06 0.00 -0.61 0.00 0.00 39.78 37.27 1qig n ASN 253 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qig s ASN 255 N -3.63 6.82 -0.01 0.00 3.84 -1.26 -4.77 114.94 115.92 1qig s ASN 255 Ca 0.31 2.19 0.12 0.00 0.21 0.00 0.00 52.86 55.70 1qig s ASN 255 Cb -0.08 -2.56 0.37 0.00 -0.55 0.00 0.00 41.25 38.43 1qig s ASN 255 CO 0.22 -0.73 1.30 0.18 -2.79 0.00 0.00 177.10 175.28 1qig n LEU 256 N 5.22 3.14 0.13 3.21 4.77 -1.26 -3.08 117.00 129.14 1qig n LEU 256 Ca 0.13 -2.07 0.05 0.00 -0.03 0.00 0.00 56.01 54.09 1qig n LEU 256 Cb 0.43 -0.29 0.48 0.00 -2.33 0.00 0.00 43.42 41.71 1qig n LEU 256 CO 0.59 0.76 1.01 0.78 -1.33 0.00 0.00 177.39 179.20 1qig h ASN 257 N 2.30 0.21 -5.15 -1.43 2.35 -1.96 -3.45 115.58 108.46 1qig h ASN 257 Ca 0.00 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1qig h ASN 257 Cb 0.82 -0.05 -0.13 0.00 0.05 0.00 0.00 38.32 39.00 1qig h ASN 257 CO 0.02 0.25 -0.26 -0.94 -1.65 0.00 0.00 177.43 174.85 1qig s SER 258 N -6.89 -0.01 0.13 5.81 1.04 -1.26 -5.03 113.70 107.49 1qig s SER 258 Ca -0.06 -0.58 -0.21 0.00 0.48 0.00 0.00 55.95 55.59 1qig s SER 258 Cb 0.16 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 1qig s SER 258 CO 0.71 -0.80 1.69 0.44 0.98 0.00 0.00 173.24 176.26 1qig h ASP 259 N 2.58 -0.27 -0.78 7.02 3.32 -1.95 -1.39 116.42 124.96 1qig h ASP 259 Ca -0.33 0.07 0.17 0.00 0.02 0.00 0.00 57.03 56.96 1qig h ASP 259 Cb 1.22 0.16 -0.11 0.00 0.22 0.00 0.00 39.33 40.82 1qig h ASP 259 CO 0.52 -0.11 0.25 -0.33 -1.72 0.00 0.00 179.24 177.84 1qig h GLU 260 N -0.06 0.32 0.07 3.56 3.07 -1.98 0.16 114.58 119.72 1qig h GLU 260 Ca 0.10 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1qig h GLU 260 Cb 0.20 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1qig h GLU 260 CO -0.22 0.21 -0.03 1.49 -1.40 0.00 0.00 179.01 179.06 1qig h GLU 261 N 0.33 -0.09 0.53 2.33 4.57 -1.68 -1.56 114.58 119.01 1qig h GLU 261 Ca 0.45 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.61 1qig h GLU 261 Cb 0.77 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.39 1qig h GLU 261 CO -0.50 -0.02 -0.26 1.25 -1.18 0.00 0.00 179.01 178.31 1qig h LEU 262 N -0.14 -0.60 -0.30 1.64 5.85 -0.20 -2.36 115.31 119.20 1qig h LEU 262 Ca -0.01 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.73 1qig h LEU 262 Cb 0.11 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 1qig h LEU 262 CO 0.02 -0.30 -0.24 0.40 -0.34 0.00 0.00 178.44 177.98 1qig h ILE 263 N -0.92 0.37 -0.90 4.05 2.04 -0.78 0.03 117.51 121.40 1qig h ILE 263 Ca -0.07 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.89 1qig h ILE 263 Cb 0.62 0.37 -0.08 0.00 -0.74 0.00 0.00 36.82 36.99 1qig h ILE 263 CO 0.12 0.00 0.53 -0.74 0.00 0.00 0.00 178.15 178.06 1qig h HIS 264 N -0.23 0.97 -0.48 1.37 2.76 -1.31 -0.49 115.15 117.75 1qig h HIS 264 Ca 0.15 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.26 1qig h HIS 264 Cb 0.47 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 1qig h HIS 264 CO -0.42 0.39 -0.08 0.00 -1.30 0.00 0.00 177.93 176.51 1qig h LEU 266 N 0.77 0.00 -0.16 0.00 3.38 0.19 -2.81 115.31 116.68 1qig h LEU 266 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1qig h LEU 266 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1qig h LEU 266 CO 0.04 0.41 0.00 0.54 0.09 0.00 0.00 178.44 179.52 1qig n ARG 267 N -3.70 0.20 0.03 1.13 1.74 -0.31 -2.81 116.66 112.95 1qig n ARG 267 Ca -0.01 0.24 0.12 0.00 -0.77 0.00 0.00 57.85 57.42 1qig n ARG 267 Cb 0.50 -1.77 0.15 0.00 -1.02 0.00 0.00 32.46 30.32 1qig n ARG 267 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1qig n GLU 268 N -2.12 0.21 -2.57 5.56 -0.58 -1.06 -4.92 120.64 115.16 1qig n GLU 268 Ca 0.05 0.04 -0.36 0.00 -0.42 0.00 0.00 57.16 56.46 1qig n GLU 268 Cb 0.36 -1.61 -0.04 0.00 -0.57 0.00 0.00 31.44 29.58 1qig n GLU 268 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1qig s LYS 269 N -3.13 4.19 0.61 3.49 -0.14 -1.12 -5.03 119.74 118.61 1qig s LYS 269 Ca 0.07 1.48 -0.17 0.00 -1.36 0.00 0.00 55.97 55.99 1qig s LYS 269 Cb 0.15 -2.53 -0.02 0.00 -1.68 0.00 0.00 37.83 33.74 1qig s LYS 269 CO 0.74 -0.11 1.11 0.15 -0.76 0.00 0.00 175.35 176.48 1qig s LYS 270 N -2.51 3.05 0.18 1.68 1.02 -1.26 -4.94 119.74 116.96 1qig s LYS 270 Ca 0.58 1.44 -0.17 0.00 0.02 0.00 0.00 55.97 57.84 1qig s LYS 270 Cb -0.21 -1.98 0.12 0.00 -0.52 0.00 0.00 37.83 35.24 1qig s LYS 270 CO 0.26 -1.06 1.65 -1.35 -0.92 0.00 0.00 175.35 173.94 1qig h PRO 271 N 0.48 -0.04 0.00 -1.68 0.11 -1.96 -1.69 132.00 127.22 1qig h PRO 271 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1qig h PRO 271 Cb 1.25 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1qig h PRO 271 CO 0.55 -0.02 -0.00 0.37 -0.21 0.00 0.00 178.00 178.68 1qig h GLN 272 N -0.04 0.00 -0.13 1.05 5.75 -1.99 -2.50 115.11 117.26 1qig h GLN 272 Ca 0.21 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.58 1qig h GLN 272 Cb 0.36 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 1qig h GLN 272 CO -0.47 0.00 -0.52 0.93 -2.65 0.00 0.00 178.83 176.12 1qig h GLU 273 N 0.00 0.35 0.19 1.69 5.08 -1.67 -1.47 114.58 118.75 1qig h GLU 273 Ca -0.00 -0.21 -0.31 0.00 -1.00 0.00 0.00 59.36 57.84 1qig h GLU 273 Cb 0.10 0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.40 1qig h GLU 273 CO 0.00 0.78 -1.36 -0.07 -1.00 0.00 0.00 179.01 177.36 1qig h LEU 274 N 0.27 0.77 -1.18 1.33 4.07 -1.51 -3.30 115.31 115.76 1qig h LEU 274 Ca 0.01 -0.79 -0.04 0.00 0.08 0.00 0.00 57.88 57.14 1qig h LEU 274 Cb 1.00 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.47 1qig h LEU 274 CO 0.09 1.61 0.10 0.40 -1.08 0.00 0.00 178.44 179.55 1qig h ILE 275 N 0.17 1.20 0.00 1.22 2.04 -1.45 -1.10 117.51 119.60 1qig h ILE 275 Ca -0.21 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1qig h ILE 275 Cb 2.05 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1qig h ILE 275 CO 0.25 0.26 0.00 0.44 0.00 0.00 0.00 178.15 179.10 1qig h ASP 276 N 0.65 0.00 0.00 1.72 3.32 -1.34 -3.12 116.42 117.65 1qig h ASP 276 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1qig h ASP 276 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1qig h ASP 276 CO -0.00 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.85 1qig n VAL 277 N -2.98 0.11 -0.32 -1.35 0.24 -1.01 -4.79 118.33 108.22 1qig n VAL 277 Ca -0.01 -0.46 0.14 0.00 -2.04 0.00 0.00 64.34 61.97 1qig n VAL 277 Cb 0.18 1.11 0.37 0.00 -1.47 0.00 0.00 33.84 34.03 1qig n VAL 277 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1qig h GLU 278 N 0.00 0.66 0.00 7.34 4.81 -1.14 -1.51 114.58 124.73 1qig h GLU 278 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1qig h GLU 278 Cb 0.16 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1qig h GLU 278 CO 0.00 0.44 0.00 0.91 -0.73 0.00 0.00 179.01 179.63 1qig n TRP 279 N -4.67 0.00 1.90 0.92 7.02 -1.26 -3.56 117.44 117.79 1qig n TRP 279 Ca 0.22 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.85 1qig n TRP 279 Cb 0.59 -0.46 0.90 0.00 -2.42 0.00 0.00 31.31 29.92 1qig n TRP 279 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1qig n ASN 280 N -1.46 0.00 -0.60 -0.99 3.02 -0.57 -3.76 115.26 110.90 1qig n ASN 280 Ca 0.07 -0.95 0.11 0.00 -0.03 0.00 0.00 54.58 53.78 1qig n ASN 280 Cb 0.28 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.47 1qig n ASN 280 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1qig n VAL 281 N -1.00 0.00 -1.74 2.41 0.24 -1.23 -4.97 118.33 112.04 1qig n VAL 281 Ca 0.23 -0.33 -0.42 0.00 -2.04 0.00 0.00 64.34 61.78 1qig n VAL 281 Cb 0.10 1.31 -0.01 0.00 -1.47 0.00 0.00 33.84 33.78 1qig n VAL 281 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1qig n LEU 282 N 0.34 4.30 0.18 1.34 4.77 -1.25 -4.84 117.00 121.84 1qig n LEU 282 Ca 0.10 1.18 0.02 0.00 -0.03 0.00 0.00 56.01 57.28 1qig n LEU 282 Cb 0.49 -1.58 0.33 0.00 -2.33 0.00 0.00 43.42 40.33 1qig n LEU 282 CO 0.24 0.04 0.68 1.55 -1.33 0.00 0.00 177.39 178.57 1qig h PRO 283 N 3.99 0.00 -5.17 3.23 0.13 -1.96 -3.46 132.00 128.77 1qig h PRO 283 Ca -0.48 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.27 1qig h PRO 283 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1qig h PRO 283 CO 0.73 0.41 -0.68 -0.06 -0.23 0.00 0.00 178.00 178.17 1qig s PHE 284 N -4.02 1.54 -0.20 1.56 0.08 -1.26 -5.08 117.98 110.59 1qig s PHE 284 Ca -0.02 -0.82 -0.29 0.00 0.12 0.00 0.00 56.93 55.92 1qig s PHE 284 Cb 0.14 -0.85 -0.02 0.00 -0.57 0.00 0.00 43.02 41.73 1qig s PHE 284 CO 0.72 0.07 1.37 0.34 -0.10 0.00 0.00 175.22 177.62 1qig s ASP 285 N -3.28 6.75 0.33 1.36 -1.08 -1.26 -4.93 116.67 114.56 1qig s ASP 285 Ca 0.25 1.60 -0.10 0.00 -0.52 0.00 0.00 52.55 53.78 1qig s ASP 285 Cb 0.04 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.98 1qig s ASP 285 CO 0.07 -0.94 0.58 -0.94 0.52 0.00 0.00 175.17 174.45 1qig s SER 286 N 2.69 0.36 0.05 -0.34 1.04 -1.26 -4.69 113.70 111.56 1qig s SER 286 Ca 0.60 -1.22 0.05 0.00 0.48 0.00 0.00 55.95 55.86 1qig s SER 286 Cb -0.22 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 1qig s SER 286 CO 0.21 -1.38 -0.14 -0.51 0.98 0.00 0.00 173.24 172.39 1qig s ILE 287 N -3.09 1.11 -1.39 -1.02 2.07 -0.67 -4.81 121.20 113.39 1qig s ILE 287 Ca 0.23 -1.10 -0.09 0.00 -1.41 0.00 0.00 60.65 58.28 1qig s ILE 287 Cb -0.02 -1.03 0.03 0.00 0.13 0.00 0.00 42.46 41.57 1qig s ILE 287 CO 0.14 -0.07 1.11 0.33 -1.91 0.00 0.00 174.94 174.55 1qig n PHE 288 N 1.70 -2.67 -4.10 3.50 -0.00 -1.26 -4.80 117.46 109.83 1qig n PHE 288 Ca -0.19 0.98 -0.15 0.00 -0.00 0.00 0.00 57.45 58.09 1qig n PHE 288 Cb 0.54 -4.77 -0.15 0.00 -0.00 0.00 0.00 39.48 35.11 1qig n PHE 288 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1qig s ARG 289 N -6.31 0.36 0.12 -4.13 1.81 -1.26 -4.71 118.95 104.82 1qig s ARG 289 Ca 0.55 -0.13 0.09 0.00 -1.72 0.00 0.00 55.73 54.51 1qig s ARG 289 Cb -0.25 -0.36 -0.04 0.00 -0.45 0.00 0.00 34.95 33.85 1qig s ARG 289 CO 0.76 0.07 -0.21 -0.06 -0.68 0.00 0.00 175.30 175.17 1qig s PHE 290 N 0.01 1.88 0.04 -0.53 0.08 -1.26 -5.07 117.98 113.12 1qig s PHE 290 Ca 0.00 -0.42 -0.29 0.00 0.12 0.00 0.00 56.93 56.34 1qig s PHE 290 Cb -0.03 -1.01 -0.16 0.00 -0.57 0.00 0.00 43.02 41.25 1qig s PHE 290 CO -0.00 0.25 1.32 0.77 -0.10 0.00 0.00 175.22 177.46 1qig h SER 291 N 3.90 -0.90 -3.62 1.36 0.02 -1.91 -3.42 113.55 108.99 1qig h SER 291 Ca -0.46 0.03 -0.69 0.00 -0.84 0.00 0.00 61.79 59.83 1qig h SER 291 Cb 1.18 0.23 -0.32 0.00 0.14 0.00 0.00 62.40 63.64 1qig h SER 291 CO 0.41 -0.59 -0.60 -0.36 -1.14 0.00 0.00 176.83 174.55 1qig s PHE 292 N -5.13 3.38 0.35 3.45 0.08 -1.26 -5.00 117.98 113.86 1qig s PHE 292 Ca -0.15 -1.93 0.03 0.00 0.12 0.00 0.00 56.93 55.00 1qig s PHE 292 Cb 0.02 -2.62 -0.04 0.00 -0.57 0.00 0.00 43.02 39.80 1qig s PHE 292 CO 0.46 -0.85 0.10 0.14 -0.10 0.00 0.00 175.22 174.98 1qig s VAL 293 N 1.26 0.77 0.73 -0.44 -7.23 -1.26 -4.46 120.40 109.77 1qig s VAL 293 Ca 0.01 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.02 1qig s VAL 293 Cb -0.21 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 1qig s VAL 293 CO -0.01 0.00 0.73 -2.65 -0.31 0.00 0.00 175.10 172.86 1qig n PRO 294 N -0.76 0.36 -4.55 4.82 -0.02 -1.23 -4.69 135.00 128.93 1qig n PRO 294 Ca -0.03 0.17 -0.22 0.00 -2.02 0.00 0.00 63.50 61.40 1qig n PRO 294 Cb 0.66 -2.02 -0.15 0.00 -0.02 0.00 0.00 33.50 31.97 1qig n PRO 294 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qig s VAL 295 N -1.90 1.00 -0.85 -1.45 0.11 -1.26 -1.28 120.40 114.77 1qig s VAL 295 Ca 0.69 -0.50 -0.25 0.00 -2.93 0.00 0.00 61.98 58.99 1qig s VAL 295 Cb -0.34 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 33.61 1qig s VAL 295 CO 0.55 0.30 1.83 -0.63 -3.33 0.00 0.00 175.10 173.82 1qig s ILE 296 N 0.04 3.50 -0.78 7.04 -1.09 -0.81 -4.78 121.20 124.32 1qig s ILE 296 Ca -0.01 -0.26 0.21 0.00 -2.23 0.00 0.00 60.65 58.36 1qig s ILE 296 Cb -0.08 -4.17 -0.24 0.00 -1.58 0.00 0.00 42.46 36.39 1qig s ILE 296 CO 0.01 -1.11 0.84 -0.90 -1.23 0.00 0.00 174.94 172.54 1qig n ASP 297 N 12.82 0.76 0.00 3.58 5.75 -1.26 -4.20 116.55 134.00 1qig n ASP 297 Ca 0.33 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 54.39 1qig n ASP 297 Cb 0.49 1.16 0.00 0.00 -1.03 0.00 0.00 41.12 41.74 1qig n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qig n GLY 298 N 1.44 0.81 0.66 6.12 0.00 -0.57 -4.88 105.19 108.77 1qig n GLY 298 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1qig n GLY 298 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qig n GLU 299 N -2.00 0.00 -0.16 1.61 1.02 -1.26 -4.48 120.64 115.37 1qig n GLU 299 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1qig n GLU 299 Cb 0.00 -0.08 0.01 0.00 -0.02 0.00 0.00 31.44 31.35 1qig n GLU 299 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1qig h PHE 300 N 0.00 0.62 -3.65 -0.32 3.04 -1.92 -3.35 116.94 111.35 1qig h PHE 300 Ca 0.00 0.01 -0.69 0.00 3.98 0.00 0.00 57.97 61.26 1qig h PHE 300 Cb 0.00 -0.21 -0.31 0.00 2.56 0.00 0.00 35.95 37.99 1qig h PHE 300 CO 0.00 0.42 -0.62 -0.06 -2.02 0.00 0.00 178.31 176.03 1qig s PHE 301 N -6.06 3.33 0.20 0.41 0.08 -1.26 -4.30 117.98 110.37 1qig s PHE 301 Ca -0.13 -1.78 -0.16 0.00 0.12 0.00 0.00 56.93 54.97 1qig s PHE 301 Cb 0.12 -2.46 0.18 0.00 -0.57 0.00 0.00 43.02 40.28 1qig s PHE 301 CO 0.74 -0.81 1.62 -1.35 -0.10 0.00 0.00 175.22 175.32 1qig h PRO 302 N 8.13 -0.07 0.00 0.24 0.11 -1.79 -1.51 132.00 137.12 1qig h PRO 302 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1qig h PRO 302 Cb 1.07 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1qig h PRO 302 CO 0.61 -0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.61 1qig n THR 303 N -5.42 0.00 -1.60 -1.15 -2.24 -1.26 -4.41 114.28 98.20 1qig n THR 303 Ca 0.06 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.51 1qig n THR 303 Cb 0.33 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.62 1qig n THR 303 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qig s SER 304 N 0.93 4.75 0.21 3.42 1.04 -1.26 -4.87 113.70 117.92 1qig s SER 304 Ca 0.00 2.08 -0.06 0.00 0.48 0.00 0.00 55.95 58.45 1qig s SER 304 Cb 0.00 -2.56 0.16 0.00 0.10 0.00 0.00 66.02 63.73 1qig s SER 304 CO 0.00 -1.88 1.67 -0.07 0.98 0.00 0.00 173.24 173.94 1qig h LEU 305 N -0.21 0.93 -0.88 2.42 3.38 -1.99 -2.43 115.31 116.52 1qig h LEU 305 Ca -0.47 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.21 1qig h LEU 305 Cb 1.26 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1qig h LEU 305 CO 0.52 1.01 0.46 -0.08 0.09 0.00 0.00 178.44 180.44 1qig h GLU 306 N 0.86 1.25 -0.01 1.13 4.57 -1.99 0.05 114.58 120.44 1qig h GLU 306 Ca 0.15 -0.16 -0.14 0.00 -1.18 0.00 0.00 59.36 58.02 1qig h GLU 306 Cb 0.57 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 1qig h GLU 306 CO 0.03 0.93 -0.66 0.66 -1.18 0.00 0.00 179.01 178.79 1qig h SER 307 N 1.25 0.06 -0.48 1.04 4.64 -1.92 -1.84 113.55 116.30 1qig h SER 307 Ca 0.31 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.47 1qig h SER 307 Cb 0.07 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1qig h SER 307 CO -0.04 0.71 -0.15 0.24 -0.87 0.00 0.00 176.83 176.71 1qig h MET 308 N 0.04 0.95 -0.16 4.77 2.86 -0.88 -2.02 114.93 120.49 1qig h MET 308 Ca -0.01 -0.38 -0.10 0.00 -2.06 0.00 0.00 59.70 57.15 1qig h MET 308 Cb 1.18 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 1qig h MET 308 CO 0.09 1.05 -0.33 -0.07 1.06 0.00 0.00 176.91 178.71 1qig h LEU 309 N 0.80 0.33 -0.18 1.22 3.38 -0.85 -1.64 115.31 118.37 1qig h LEU 309 Ca 0.12 -0.12 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1qig h LEU 309 Cb 0.72 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1qig h LEU 309 CO 0.06 0.65 -0.94 0.78 0.09 0.00 0.00 178.44 179.08 1qig h ASN 310 N 0.28 0.15 0.06 -0.43 2.35 -1.21 -3.29 115.58 113.49 1qig h ASN 310 Ca 0.04 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1qig h ASN 310 Cb 0.73 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1qig h ASN 310 CO 0.06 1.00 -0.11 -1.54 -1.65 0.00 0.00 177.43 175.19 1qig n SER 311 N -3.54 1.55 -0.62 5.81 3.41 -0.77 -4.94 113.62 114.52 1qig n SER 311 Ca -0.03 -1.36 -0.07 0.00 -0.26 0.00 0.00 58.87 57.15 1qig n SER 311 Cb 0.86 0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.86 1qig n SER 311 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qig n GLY 312 N 1.26 0.75 3.18 5.00 0.00 -1.01 -4.92 105.19 109.45 1qig n GLY 312 Ca 0.16 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 1qig n GLY 312 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qig n ASN 313 N 0.77 4.49 -3.55 1.61 5.15 -0.65 -4.84 115.26 118.23 1qig n ASN 313 Ca -0.08 -2.89 -0.06 0.00 -0.60 0.00 0.00 54.58 50.95 1qig n ASN 313 Cb 0.31 -1.69 -0.02 0.00 -0.53 0.00 0.00 39.78 37.85 1qig n ASN 313 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1qig s PHE 314 N 3.53 -0.24 0.14 1.20 -0.12 -1.26 -4.77 117.98 116.46 1qig s PHE 314 Ca 0.50 0.13 -0.32 0.00 -0.05 0.00 0.00 56.93 57.19 1qig s PHE 314 Cb 0.08 0.53 -0.12 0.00 -0.63 0.00 0.00 43.02 42.89 1qig s PHE 314 CO 0.00 -0.41 1.77 1.17 -0.05 0.00 0.00 175.22 177.70 1qig n LYS 315 N -0.20 2.65 -3.50 1.99 4.81 -0.14 -4.95 118.16 118.83 1qig n LYS 315 Ca -0.05 0.96 -0.39 0.00 -0.87 0.00 0.00 58.31 57.96 1qig n LYS 315 Cb 0.60 -2.82 -0.10 0.00 0.02 0.00 0.00 35.03 32.73 1qig n LYS 315 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1qig s LYS 316 N 2.08 3.75 0.00 1.64 3.01 -1.26 -4.98 119.74 123.98 1qig s LYS 316 Ca 0.80 -0.38 0.00 0.00 -1.01 0.00 0.00 55.97 55.39 1qig s LYS 316 Cb -0.53 -3.73 0.00 0.00 -1.01 0.00 0.00 37.83 32.56 1qig s LYS 316 CO 0.37 -0.34 0.00 -2.37 0.51 0.00 0.00 175.35 173.52 1qig n THR 317 N 5.12 0.00 -3.98 2.17 5.66 -1.26 -4.82 114.28 117.17 1qig n THR 317 Ca -0.12 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.56 1qig n THR 317 Cb 0.51 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.23 1qig n THR 317 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1qig s GLN 318 N 1.21 3.26 0.02 1.09 1.11 -1.26 -1.41 119.66 123.68 1qig s GLN 318 Ca 0.00 -0.45 0.00 0.00 0.01 0.00 0.00 55.36 54.92 1qig s GLN 318 Cb 0.00 -2.96 -0.02 0.00 -1.01 0.00 0.00 33.01 29.02 1qig s GLN 318 CO 0.00 0.63 -0.03 0.96 0.01 0.00 0.00 175.29 176.86 1qig s ILE 319 N -1.35 0.13 -0.09 1.08 -4.36 -0.10 -3.24 121.20 113.28 1qig s ILE 319 Ca 0.28 -0.87 0.01 0.00 -0.26 0.00 0.00 60.65 59.82 1qig s ILE 319 Cb -0.12 -0.26 0.02 0.00 1.25 0.00 0.00 42.46 43.34 1qig s ILE 319 CO 0.20 -0.46 -0.11 -0.22 0.24 0.00 0.00 174.94 174.59 1qig s LEU 320 N -1.38 1.51 0.21 0.37 0.20 -0.88 -1.43 118.68 117.29 1qig s LEU 320 Ca -0.15 -0.32 -0.17 0.00 0.69 0.00 0.00 54.13 54.19 1qig s LEU 320 Cb -0.09 -0.87 0.02 0.00 -0.43 0.00 0.00 46.19 44.82 1qig s LEU 320 CO -0.01 -0.02 0.53 -1.48 -0.29 0.00 0.00 176.35 175.08 1qig s LEU 321 N 1.04 0.11 0.00 -0.68 2.34 -0.02 -1.43 118.68 120.04 1qig s LEU 321 Ca -0.07 -0.59 -0.14 0.00 0.06 0.00 0.00 54.13 53.39 1qig s LEU 321 Cb -0.15 2.12 0.05 0.00 -0.56 0.00 0.00 46.19 47.65 1qig s LEU 321 CO -0.01 -1.10 0.64 0.61 -1.06 0.00 0.00 176.35 175.43 1qig n GLY 322 N -0.36 0.29 3.26 -3.48 0.00 -1.05 -1.39 105.19 102.46 1qig n GLY 322 Ca -0.08 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 1qig n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qig s VAL 323 N -2.02 0.20 0.11 1.61 -7.23 -1.14 -0.81 120.40 111.12 1qig s VAL 323 Ca 0.15 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 1qig s VAL 323 Cb -0.00 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 1qig s VAL 323 CO -0.01 0.00 0.27 0.20 -0.31 0.00 0.00 175.10 175.24 1qig s ASN 324 N -3.25 6.37 0.27 4.85 0.01 -1.26 -0.82 114.94 121.10 1qig s ASN 324 Ca 0.38 0.28 -0.02 0.00 -0.71 0.00 0.00 52.86 52.79 1qig s ASN 324 Cb 0.07 -1.96 0.43 0.00 0.41 0.00 0.00 41.25 40.19 1qig s ASN 324 CO 0.14 0.10 1.87 0.50 -1.51 0.00 0.00 177.10 178.20 1qig h LYS 325 N 2.64 1.09 -2.14 -0.60 3.64 -1.43 -3.30 116.57 116.47 1qig h LYS 325 Ca -0.46 -0.07 -0.57 0.00 -1.27 0.00 0.00 60.65 58.28 1qig h LYS 325 Cb 1.17 -0.25 -0.42 0.00 -0.41 0.00 0.00 32.23 32.33 1qig h LYS 325 CO 0.73 0.72 -0.73 -0.25 -2.27 0.00 0.00 179.45 177.64 1qig n ASP 326 N -4.54 3.99 0.04 4.20 8.00 -0.82 -4.91 116.55 122.51 1qig n ASP 326 Ca 0.16 -3.59 0.20 0.00 0.71 0.00 0.00 54.79 52.27 1qig n ASP 326 Cb 0.22 -0.56 0.72 0.00 -0.02 0.00 0.00 41.12 41.48 1qig n ASP 326 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1qig h GLU 327 N 2.94 0.00 0.00 -1.24 4.39 -1.73 -3.17 114.58 115.76 1qig h GLU 327 Ca 0.14 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 1qig h GLU 327 Cb 0.62 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1qig h GLU 327 CO 0.78 0.00 -0.95 0.78 -1.16 0.00 0.00 179.01 178.45 1qig h GLY 328 N 0.00 0.00 0.08 -3.84 0.00 -1.85 -3.40 103.07 94.07 1qig h GLY 328 Ca 0.22 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.82 1qig h GLY 328 CO -0.00 0.00 0.67 1.48 0.00 0.00 0.00 176.54 178.69 1qig h SER 329 N 0.00 0.15 -0.58 0.19 4.64 -1.80 -1.77 113.55 114.38 1qig h SER 329 Ca -0.05 0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1qig h SER 329 Cb 1.24 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1qig h SER 329 CO 0.02 0.05 0.03 0.15 -0.87 0.00 0.00 176.83 176.21 1qig h PHE 330 N 0.14 1.09 0.00 4.77 3.04 -1.82 -2.27 116.94 121.89 1qig h PHE 330 Ca 0.48 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 62.25 1qig h PHE 330 Cb 1.66 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.88 1qig h PHE 330 CO -0.00 0.97 0.00 0.74 -2.02 0.00 0.00 178.31 178.00 1qig h PHE 331 N 0.90 0.00 0.21 0.41 -1.00 -1.61 -3.02 116.94 112.83 1qig h PHE 331 Ca 0.17 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.62 1qig h PHE 331 Cb 0.51 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.09 1qig h PHE 331 CO 0.04 0.00 -1.50 -0.07 -1.61 0.00 0.00 178.31 175.17 1qig h LEU 332 N 0.00 0.69 -0.41 1.54 3.38 -1.40 -2.54 115.31 116.57 1qig h LEU 332 Ca 0.00 -0.80 0.03 0.00 0.09 0.00 0.00 57.88 57.20 1qig h LEU 332 Cb 0.86 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1qig h LEU 332 CO 0.00 1.64 0.22 0.25 0.09 0.00 0.00 178.44 180.63 1qig h LEU 333 N 0.12 0.32 -0.13 1.67 5.85 -1.36 -0.33 115.31 121.45 1qig h LEU 333 Ca -0.25 0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.28 1qig h LEU 333 Cb 2.11 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 43.08 1qig h LEU 333 CO 0.24 0.23 -0.97 1.88 -0.34 0.00 0.00 178.44 179.48 1qig h TYR 334 N 0.44 0.16 0.00 1.25 -1.99 -1.63 -3.42 116.97 111.78 1qig h TYR 334 Ca 0.17 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 60.80 1qig h TYR 334 Cb 0.06 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.78 1qig h TYR 334 CO -0.09 1.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.48 1qig n GLY 335 N 1.14 -0.15 3.49 3.88 0.00 -0.96 -5.05 105.19 107.54 1qig n GLY 335 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1qig n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qig s ALA 336 N -0.19 2.94 0.34 4.61 0.00 -0.14 -4.97 121.76 124.35 1qig s ALA 336 Ca 0.00 -0.84 -0.28 0.00 0.00 0.00 0.00 51.96 50.84 1qig s ALA 336 Cb 0.00 -1.46 -0.12 0.00 0.00 0.00 0.00 23.12 21.55 1qig s ALA 336 CO 0.00 0.28 1.41 -0.35 0.00 0.00 0.00 175.76 177.10 1qig n PRO 337 N 3.32 2.40 0.00 0.00 -0.04 -1.26 -2.90 135.00 136.52 1qig n PRO 337 Ca -0.18 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1qig n PRO 337 Cb 0.53 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 1qig n PRO 337 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qig n GLY 338 N 0.90 3.05 3.83 0.55 0.00 -1.26 -4.89 105.19 107.37 1qig n GLY 338 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1qig n GLY 338 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qig s PHE 339 N -2.78 3.72 0.00 1.61 0.40 -1.14 -4.67 117.98 115.12 1qig s PHE 339 Ca 0.00 0.98 -0.07 0.00 -0.60 0.00 0.00 56.93 57.25 1qig s PHE 339 Cb 0.00 -2.29 0.00 0.00 0.51 0.00 0.00 43.02 41.24 1qig s PHE 339 CO 0.00 0.63 0.13 -1.12 0.70 0.00 0.00 175.22 175.56 1qig s SER 340 N -1.03 0.03 0.29 1.36 0.01 -1.26 -4.90 113.70 108.20 1qig s SER 340 Ca 0.24 -0.20 0.08 0.00 1.31 0.00 0.00 55.95 57.37 1qig s SER 340 Cb -0.17 0.20 0.45 0.00 0.21 0.00 0.00 66.02 66.71 1qig s SER 340 CO 0.13 -0.35 1.68 0.50 0.41 0.00 0.00 173.24 175.61 1qig h LYS 341 N 4.39 0.16 -0.60 12.44 3.64 -1.98 -3.24 116.57 131.38 1qig h LYS 341 Ca -0.31 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1qig h LYS 341 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1qig h LYS 341 CO 0.41 0.60 0.00 -0.25 -2.27 0.00 0.00 179.45 177.94 1qig n ASP 342 N -3.97 4.86 -4.24 4.20 8.00 -1.26 -4.44 116.55 119.69 1qig n ASP 342 Ca -0.02 -2.58 -0.14 0.00 0.71 0.00 0.00 54.79 52.77 1qig n ASP 342 Cb 0.51 -0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 40.93 1qig n ASP 342 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1qig s SER 343 N -0.97 0.78 0.10 -2.24 1.04 -1.23 -5.02 113.70 106.16 1qig s SER 343 Ca 0.50 -1.32 0.17 0.00 0.48 0.00 0.00 55.95 55.78 1qig s SER 343 Cb 0.34 0.23 0.71 0.00 0.10 0.00 0.00 66.02 67.40 1qig s SER 343 CO 0.21 -0.73 1.51 -0.62 0.98 0.00 0.00 173.24 174.60 1qig n GLU 344 N -0.31 0.07 -3.75 4.02 1.02 -1.26 -4.71 120.64 115.72 1qig n GLU 344 Ca -0.02 0.34 -0.23 0.00 -0.02 0.00 0.00 57.16 57.24 1qig n GLU 344 Cb 0.65 -1.64 0.02 0.00 -0.02 0.00 0.00 31.44 30.45 1qig n GLU 344 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1qig n SER 345 N -1.77 -1.26 -4.72 1.62 7.64 -1.26 -4.89 113.62 108.98 1qig n SER 345 Ca 0.03 -0.87 -0.42 0.00 1.01 0.00 0.00 58.87 58.62 1qig n SER 345 Cb 0.17 -3.82 -0.03 0.00 -1.01 0.00 0.00 64.21 59.51 1qig n SER 345 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1qig s LYS 346 N -6.07 4.41 -0.14 1.43 1.02 -1.26 -4.75 119.74 114.39 1qig s LYS 346 Ca 0.03 1.84 -0.06 0.00 0.02 0.00 0.00 55.97 57.81 1qig s LYS 346 Cb -0.01 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 1qig s LYS 346 CO 0.83 -0.28 0.06 0.42 -0.92 0.00 0.00 175.35 175.46 1qig s ILE 347 N 0.98 4.84 0.89 2.17 -1.09 -0.82 -4.97 121.20 123.20 1qig s ILE 347 Ca 0.60 -0.03 -0.14 0.00 -2.23 0.00 0.00 60.65 58.84 1qig s ILE 347 Cb -0.31 -3.12 0.14 0.00 -1.58 0.00 0.00 42.46 37.60 1qig s ILE 347 CO 0.30 0.55 1.26 -0.94 -1.23 0.00 0.00 174.94 174.87 1qig s SER 348 N -0.39 3.76 0.15 3.58 1.04 -1.26 -4.18 113.70 116.39 1qig s SER 348 Ca 0.09 0.50 -0.14 0.00 0.48 0.00 0.00 55.95 56.88 1qig s SER 348 Cb -0.12 -0.75 0.03 0.00 0.10 0.00 0.00 66.02 65.28 1qig s SER 348 CO 0.02 -2.35 1.70 0.03 0.98 0.00 0.00 173.24 173.62 1qig h ARG 349 N -1.37 0.72 -0.11 4.02 2.47 -1.92 -1.80 114.38 116.39 1qig h ARG 349 Ca -0.45 -0.13 0.02 0.00 -1.26 0.00 0.00 59.98 58.16 1qig h ARG 349 Cb 1.28 -0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 29.44 1qig h ARG 349 CO 0.51 0.65 -0.39 0.93 0.56 0.00 0.00 179.97 182.23 1qig h GLU 350 N 0.63 -0.39 0.00 0.04 4.39 -1.99 -1.76 114.58 115.50 1qig h GLU 350 Ca 0.16 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.86 1qig h GLU 350 Cb 0.20 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1qig h GLU 350 CO -0.01 -0.26 -0.13 -0.44 -1.16 0.00 0.00 179.01 177.01 1qig h ASP 351 N -0.40 0.00 0.37 1.42 3.32 -1.89 -2.09 116.42 117.14 1qig h ASP 351 Ca 0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1qig h ASP 351 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1qig h ASP 351 CO -0.32 0.13 -0.18 0.15 -1.72 0.00 0.00 179.24 177.31 1qig h PHE 352 N 0.00 -0.46 0.00 4.55 3.57 -0.49 0.35 116.94 124.46 1qig h PHE 352 Ca -0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1qig h PHE 352 Cb 0.31 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1qig h PHE 352 CO 0.00 -0.19 -0.19 0.52 -2.23 0.00 0.00 178.31 176.22 1qig h MET 353 N -0.67 0.00 -0.27 1.11 2.86 -1.25 -0.53 114.93 116.17 1qig h MET 353 Ca -0.05 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.44 1qig h MET 353 Cb 0.48 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1qig h MET 353 CO 0.08 0.19 -0.43 0.77 1.06 0.00 0.00 176.91 178.59 1qig h SER 354 N 0.00 0.73 -0.32 1.22 0.02 -0.98 -2.57 113.55 111.65 1qig h SER 354 Ca -0.00 -0.34 -0.15 0.00 -0.84 0.00 0.00 61.79 60.46 1qig h SER 354 Cb 0.40 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1qig h SER 354 CO 0.03 1.06 -0.35 1.23 -1.14 0.00 0.00 176.83 177.65 1qig h GLY 355 N 0.97 0.93 1.00 -3.77 0.00 0.11 -2.79 103.07 99.51 1qig h GLY 355 Ca 0.04 -0.91 -0.02 0.00 0.00 0.00 0.00 47.33 46.44 1qig h GLY 355 CO 0.09 0.83 0.35 -2.08 0.00 0.00 0.00 176.54 175.72 1qig h VAL 356 N 0.71 1.22 -0.50 4.60 2.07 -1.08 -0.22 116.25 123.05 1qig h VAL 356 Ca 0.07 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1qig h VAL 356 Cb 0.92 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1qig h VAL 356 CO 0.08 0.25 0.19 0.50 0.02 0.00 0.00 177.57 178.62 1qig h LYS 357 N 0.94 0.71 0.00 1.57 1.63 -1.39 -1.87 116.57 118.16 1qig h LYS 357 Ca 0.24 -0.10 -0.12 0.00 -0.85 0.00 0.00 60.65 59.82 1qig h LYS 357 Cb 0.09 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 1qig h LYS 357 CO -0.03 0.59 -0.55 -0.07 -3.45 0.00 0.00 179.45 175.94 1qig h LEU 358 N 0.71 0.00 0.00 5.20 4.07 -1.12 -3.25 115.31 120.91 1qig h LEU 358 Ca 0.17 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.90 1qig h LEU 358 Cb 0.15 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.85 1qig h LEU 358 CO -0.02 0.55 -1.30 0.28 -1.08 0.00 0.00 178.44 176.87 1qig h SER 359 N 0.00 0.00 -2.16 -0.43 0.02 -0.48 -1.79 113.55 108.71 1qig h SER 359 Ca -0.01 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 1qig h SER 359 Cb 1.26 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.38 1qig h SER 359 CO 0.07 0.92 -0.77 0.52 -1.14 0.00 0.00 176.83 176.44 1qig n VAL 360 N -3.17 1.74 -0.18 2.27 0.31 -0.76 -4.89 118.33 113.66 1qig n VAL 360 Ca -0.08 -5.04 0.20 0.00 -0.01 0.00 0.00 64.34 59.41 1qig n VAL 360 Cb 0.96 -1.67 0.57 0.00 -0.91 0.00 0.00 33.84 32.79 1qig n VAL 360 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1qig h PRO 361 N 3.68 0.28 -0.00 5.55 0.13 -1.74 -2.14 132.00 137.75 1qig h PRO 361 Ca 0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1qig h PRO 361 Cb 0.69 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1qig h PRO 361 CO 0.73 0.18 -0.00 -2.39 -0.23 0.00 0.00 178.00 176.29 1qig n HIS 362 N -4.44 0.00 -3.08 1.56 1.44 -1.26 -4.90 115.22 104.54 1qig n HIS 362 Ca 0.16 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.48 1qig n HIS 362 Cb 0.68 -0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.73 1qig n HIS 362 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qig s ALA 363 N -2.01 3.45 1.12 1.59 0.00 -0.81 -5.08 121.76 120.02 1qig s ALA 363 Ca 0.45 0.21 -0.18 0.00 0.00 0.00 0.00 51.96 52.44 1qig s ALA 363 Cb 0.22 -2.87 0.26 0.00 0.00 0.00 0.00 23.12 20.72 1qig s ALA 363 CO 0.36 0.21 1.20 0.27 0.00 0.00 0.00 175.76 177.79 1qig n ASN 364 N 2.27 -0.97 -0.02 0.00 0.23 -1.26 -4.72 115.26 110.79 1qig n ASN 364 Ca -0.06 -1.32 0.00 0.00 -0.53 0.00 0.00 54.58 52.68 1qig n ASN 364 Cb 0.50 -1.00 0.30 0.00 -2.08 0.00 0.00 39.78 37.51 1qig n ASN 364 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1qig h ASP 365 N -2.20 0.52 -0.70 0.53 5.19 -1.99 -1.81 116.42 115.95 1qig h ASP 365 Ca -0.41 -0.08 -0.06 0.00 -0.62 0.00 0.00 57.03 55.85 1qig h ASP 365 Cb 1.20 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.55 1qig h ASP 365 CO 0.28 0.55 0.20 0.25 -3.12 0.00 0.00 179.24 177.41 1qig h LEU 366 N 0.54 1.03 -0.52 1.55 5.85 -1.99 -2.22 115.31 119.56 1qig h LEU 366 Ca 0.12 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 1qig h LEU 366 Cb 0.27 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1qig h LEU 366 CO 0.00 0.98 0.11 1.23 -0.34 0.00 0.00 178.44 180.42 1qig h GLY 367 N 1.04 0.91 1.28 3.75 0.00 -1.75 -1.10 103.07 107.20 1qig h GLY 367 Ca 0.22 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1qig h GLY 367 CO -0.00 0.54 0.47 1.41 0.00 0.00 0.00 176.54 178.96 1qig h LEU 368 N 0.73 0.84 -0.50 3.11 3.38 -1.19 -1.64 115.31 120.04 1qig h LEU 368 Ca 0.16 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1qig h LEU 368 Cb 0.36 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1qig h LEU 368 CO 0.01 0.62 -0.26 0.44 0.09 0.00 0.00 178.44 179.33 1qig h ASP 369 N 0.99 0.98 -0.20 -0.43 3.32 -1.03 -1.56 116.42 118.50 1qig h ASP 369 Ca 0.26 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.93 1qig h ASP 369 Cb -0.09 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 1qig h ASP 369 CO -0.05 1.18 0.10 0.00 -1.72 0.00 0.00 179.24 178.74 1qig h ALA 370 N 0.88 0.24 0.18 3.45 0.00 -0.38 -0.89 119.26 122.74 1qig h ALA 370 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qig h ALA 370 Cb 0.84 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1qig h ALA 370 CO 0.07 -0.32 -0.12 0.28 0.00 0.00 0.00 179.25 179.17 1qig h VAL 371 N 0.21 0.75 -0.79 0.00 2.07 -1.24 -1.19 116.25 116.06 1qig h VAL 371 Ca 0.08 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.70 1qig h VAL 371 Cb 0.01 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 1qig h VAL 371 CO -0.05 0.00 0.43 0.74 0.02 0.00 0.00 177.57 178.71 1qig h THR 372 N -0.29 0.86 -0.50 2.57 2.02 -1.13 -1.38 112.91 115.06 1qig h THR 372 Ca -0.01 -0.24 -0.13 0.00 0.77 0.00 0.00 66.41 66.80 1qig h THR 372 Cb 0.25 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1qig h THR 372 CO 0.01 0.13 -0.18 0.25 0.37 0.00 0.00 175.52 176.10 1qig h LEU 373 N 0.70 1.03 -1.82 2.58 5.85 -0.98 -2.12 115.31 120.56 1qig h LEU 373 Ca 0.39 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1qig h LEU 373 Cb 0.42 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1qig h LEU 373 CO -0.27 1.18 -0.10 -0.61 -0.34 0.00 0.00 178.44 178.29 1qig h GLN 374 N 0.87 0.00 -0.12 1.25 5.75 -0.19 -3.19 115.11 119.48 1qig h GLN 374 Ca 0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1qig h GLN 374 Cb 0.76 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.31 1qig h GLN 374 CO 0.06 0.10 0.00 0.66 -2.65 0.00 0.00 178.83 177.00 1qig n TYR 375 N -3.42 0.16 -4.28 3.99 4.02 -0.64 -5.01 117.16 111.98 1qig n TYR 375 Ca -0.01 -0.40 -0.34 0.00 -0.01 0.00 0.00 57.90 57.14 1qig n TYR 375 Cb 0.26 -0.03 -0.09 0.00 -0.02 0.00 0.00 39.34 39.47 1qig n TYR 375 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1qig s THR 376 N -0.88 4.44 -0.50 -0.72 2.01 -0.81 -4.83 115.64 114.35 1qig s THR 376 Ca 0.09 -0.31 -0.12 0.00 0.31 0.00 0.00 61.69 61.66 1qig s THR 376 Cb 0.05 -2.92 0.12 0.00 0.01 0.00 0.00 72.50 69.76 1qig s THR 376 CO 0.06 0.52 0.41 -0.62 -0.69 0.00 0.00 174.62 174.31 1qig s ASP 377 N -1.16 5.93 0.00 3.53 -1.08 -1.26 -4.95 116.67 117.68 1qig s ASP 377 Ca 0.16 -1.82 0.12 0.00 -0.52 0.00 0.00 52.55 50.50 1qig s ASP 377 Cb -0.12 -2.10 0.68 0.00 -1.46 0.00 0.00 42.92 39.93 1qig s ASP 377 CO 0.06 -0.76 1.24 0.79 0.52 0.00 0.00 175.17 177.02 1qig n TRP 378 N 5.07 0.00 1.11 -5.34 7.02 -1.26 -1.57 117.44 122.47 1qig n TRP 378 Ca -0.11 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.50 1qig n TRP 378 Cb 0.41 -0.14 0.32 0.00 -2.42 0.00 0.00 31.31 29.47 1qig n TRP 378 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1qig n MET 379 N -1.14 0.34 -2.73 -0.99 2.81 -1.26 -4.39 117.12 109.76 1qig n MET 379 Ca 0.08 -0.20 -0.08 0.00 -1.81 0.00 0.00 57.70 55.69 1qig n MET 379 Cb 0.07 -1.50 0.10 0.00 -0.71 0.00 0.00 33.22 31.18 1qig n MET 379 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1qig n ASP 380 N -1.16 -2.03 0.28 7.83 2.03 -0.61 -5.02 116.55 117.88 1qig n ASP 380 Ca 0.08 -3.17 0.17 0.00 0.52 0.00 0.00 54.79 52.40 1qig n ASP 380 Cb 0.34 1.46 0.73 0.00 -0.72 0.00 0.00 41.12 42.93 1qig n ASP 380 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1qig h ASP 381 N 2.60 0.00 -0.68 1.67 2.03 -1.64 -2.94 116.42 117.46 1qig h ASP 381 Ca -0.17 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 1qig h ASP 381 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1qig h ASP 381 CO 0.06 0.01 0.00 0.59 -1.03 0.00 0.00 179.24 178.88 1qig n ASN 382 N -3.12 4.57 -4.60 4.15 3.02 -1.26 -4.73 115.26 113.29 1qig n ASN 382 Ca 0.00 -2.33 -0.43 0.00 -0.03 0.00 0.00 54.58 51.79 1qig n ASN 382 Cb 0.29 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.87 1qig n ASN 382 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1qig s ASN 383 N -0.92 6.22 0.34 6.41 3.04 -1.11 -4.88 114.94 124.05 1qig s ASN 383 Ca 0.51 0.98 0.05 0.00 0.04 0.00 0.00 52.86 54.44 1qig s ASN 383 Cb 0.31 -2.54 0.71 0.00 -1.54 0.00 0.00 41.25 38.20 1qig s ASN 383 CO 0.27 -1.50 1.92 1.23 -3.04 0.00 0.00 177.10 175.98 1qig h GLY 384 N 12.57 1.12 1.72 1.21 0.00 -1.90 -1.98 103.07 115.80 1qig h GLY 384 Ca -0.29 -0.33 -0.17 0.00 0.00 0.00 0.00 47.33 46.54 1qig h GLY 384 CO 1.07 0.21 -0.71 -2.22 0.00 0.00 0.00 176.54 174.88 1qig h ILE 385 N 0.81 1.41 -0.08 2.60 2.04 -1.90 -1.93 117.51 120.47 1qig h ILE 385 Ca 0.37 -2.19 -0.18 0.00 1.00 0.00 0.00 64.86 63.86 1qig h ILE 385 Cb 0.38 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1qig h ILE 385 CO -0.14 0.65 -0.71 0.11 0.00 0.00 0.00 178.15 178.06 1qig h LYS 386 N 0.19 0.38 -0.29 2.37 1.57 -1.79 -2.16 116.57 116.82 1qig h LYS 386 Ca -0.02 -0.30 -0.17 0.00 -1.87 0.00 0.00 60.65 58.29 1qig h LYS 386 Cb 1.26 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 1qig h LYS 386 CO 0.11 0.94 -0.47 -0.91 -0.57 0.00 0.00 179.45 178.55 1qig h ASN 387 N 0.26 0.86 0.43 0.86 2.35 -1.37 0.18 115.58 119.16 1qig h ASN 387 Ca -0.03 -0.43 -0.02 0.00 -0.55 0.00 0.00 56.30 55.28 1qig h ASN 387 Cb 1.27 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.40 1qig h ASN 387 CO 0.12 1.19 -0.20 -0.09 -1.65 0.00 0.00 177.43 176.80 1qig h ARG 388 N 0.63 -0.55 -0.02 0.81 2.43 -1.31 -1.01 114.38 115.36 1qig h ARG 388 Ca 0.03 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1qig h ARG 388 Cb 1.05 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1qig h ARG 388 CO 0.10 -0.32 -0.24 -0.44 -1.51 0.00 0.00 179.97 177.57 1qig h ASP 389 N -0.66 0.03 -0.67 -3.80 3.32 -1.42 -1.25 116.42 111.97 1qig h ASP 389 Ca -0.06 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 1qig h ASP 389 Cb 0.48 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1qig h ASP 389 CO 0.10 0.27 0.11 1.23 -1.72 0.00 0.00 179.24 179.22 1qig h GLY 390 N 0.75 1.20 1.34 2.75 0.00 -0.70 0.19 103.07 108.60 1qig h GLY 390 Ca 0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 47.33 46.38 1qig h GLY 390 CO 0.03 0.74 -0.48 -2.00 0.00 0.00 0.00 176.54 174.83 1qig h LEU 391 N 1.04 0.78 -0.37 3.11 5.85 -0.71 -2.09 115.31 122.91 1qig h LEU 391 Ca 0.20 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1qig h LEU 391 Cb 0.44 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1qig h LEU 391 CO 0.01 1.13 0.19 -0.78 -0.34 0.00 0.00 178.44 178.65 1qig h ASP 392 N 0.56 0.46 -0.59 1.25 1.82 -0.86 -2.21 116.42 116.86 1qig h ASP 392 Ca 0.03 -0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.54 1qig h ASP 392 Cb 1.04 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.90 1qig h ASP 392 CO 0.10 0.43 0.25 0.44 -1.61 0.00 0.00 179.24 178.85 1qig h ASP 393 N 0.46 0.80 0.06 2.28 3.32 -0.86 -2.37 116.42 120.12 1qig h ASP 393 Ca 0.13 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1qig h ASP 393 Cb 0.08 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1qig h ASP 393 CO -0.02 0.74 -0.20 0.40 -1.72 0.00 0.00 179.24 178.45 1qig h ILE 394 N 0.81 0.55 -0.52 0.35 2.04 -1.15 0.31 117.51 119.90 1qig h ILE 394 Ca 0.20 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.08 1qig h ILE 394 Cb 0.18 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1qig h ILE 394 CO -0.02 0.00 0.32 0.58 0.00 0.00 0.00 178.15 179.03 1qig h VAL 395 N -0.35 1.07 -0.23 1.67 2.07 -1.34 -1.14 116.25 118.00 1qig h VAL 395 Ca 0.04 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1qig h VAL 395 Cb 0.39 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1qig h VAL 395 CO -0.14 0.12 -0.20 1.23 0.02 0.00 0.00 177.57 178.59 1qig h GLY 396 N 0.64 0.60 0.86 2.17 0.00 -1.19 -2.17 103.07 103.98 1qig h GLY 396 Ca 0.20 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1qig h GLY 396 CO -0.08 0.54 -0.11 -0.55 0.00 0.00 0.00 176.54 176.34 1qig h ASP 397 N 0.25 -0.26 -0.66 0.19 3.32 -0.24 0.91 116.42 119.94 1qig h ASP 397 Ca 0.04 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1qig h ASP 397 Cb 0.75 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1qig h ASP 397 CO 0.05 -0.07 0.21 -0.74 -1.72 0.00 0.00 179.24 176.97 1qig h HIS 398 N -0.45 1.06 0.00 4.55 -0.00 -1.31 0.68 115.15 119.68 1qig h HIS 398 Ca -0.03 -0.11 -0.25 0.00 -0.00 0.00 0.00 60.37 59.98 1qig h HIS 398 Cb 0.34 -0.31 -0.04 0.00 -0.00 0.00 0.00 27.41 27.40 1qig h HIS 398 CO -0.02 0.86 -1.51 -0.91 -0.00 0.00 0.00 177.93 176.35 1qig h ASN 399 N 0.95 0.00 0.00 3.26 2.35 -1.40 -3.41 115.58 117.33 1qig h ASN 399 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1qig h ASN 399 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1qig h ASN 399 CO -0.01 0.89 0.00 0.52 -1.65 0.00 0.00 177.43 177.18 1qig n VAL 400 N -3.05 0.66 0.27 2.81 0.31 0.18 -4.63 118.33 114.88 1qig n VAL 400 Ca -0.12 0.22 -0.16 0.00 -0.01 0.00 0.00 64.34 64.26 1qig n VAL 400 Cb 0.98 -1.12 -0.08 0.00 -0.91 0.00 0.00 33.84 32.71 1qig n VAL 400 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1qig h ILE 401 N 0.00 0.52 -0.41 2.52 2.04 -1.26 -1.75 117.51 119.17 1qig h ILE 401 Ca 0.00 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 1qig h ILE 401 Cb 0.00 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1qig h ILE 401 CO 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 178.15 178.14 1qig h PRO 403 N 0.63 0.73 -0.18 0.00 0.11 -1.69 -2.27 132.00 129.33 1qig h PRO 403 Ca 0.12 -0.30 -0.13 0.00 0.11 0.00 0.00 66.00 65.81 1qig h PRO 403 Cb 0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1qig h PRO 403 CO 0.02 0.90 -0.43 1.25 -0.21 0.00 0.00 178.00 179.53 1qig h LEU 404 N 0.64 0.45 -0.91 2.35 6.46 -1.01 -2.35 115.31 120.94 1qig h LEU 404 Ca 0.09 -0.20 -0.11 0.00 -0.12 0.00 0.00 57.88 57.53 1qig h LEU 404 Cb 0.75 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1qig h LEU 404 CO 0.06 0.83 -0.36 0.24 -0.62 0.00 0.00 178.44 178.59 1qig h MET 405 N 0.35 0.35 -0.16 1.25 2.86 -1.11 -0.26 114.93 118.21 1qig h MET 405 Ca 0.03 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1qig h MET 405 Cb 0.90 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 1qig h MET 405 CO 0.08 0.67 0.03 1.25 1.06 0.00 0.00 176.91 180.00 1qig h HIS 406 N 0.30 0.29 0.09 -0.22 -0.00 -1.19 -1.79 115.15 112.62 1qig h HIS 406 Ca 0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1qig h HIS 406 Cb 0.78 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.10 1qig h HIS 406 CO 0.02 0.43 -0.10 0.35 -0.00 0.00 0.00 177.93 178.63 1qig h PHE 407 N 0.06 -0.25 -0.99 5.26 3.57 -1.19 -1.08 116.94 122.32 1qig h PHE 407 Ca 0.05 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1qig h PHE 407 Cb 0.29 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 1qig h PHE 407 CO 0.02 -0.15 0.65 -0.24 -2.23 0.00 0.00 178.31 176.35 1qig h VAL 408 N -0.22 1.19 -0.03 1.41 3.04 -1.01 0.32 116.25 120.95 1qig h VAL 408 Ca 0.01 -0.44 -0.15 0.00 -1.01 0.00 0.00 66.70 65.11 1qig h VAL 408 Cb 0.21 -0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.29 1qig h VAL 408 CO -0.03 0.23 -0.65 0.78 -1.01 0.00 0.00 177.57 176.89 1qig h ASN 409 N 1.27 0.16 -0.03 3.17 2.35 -1.14 -1.17 115.58 120.18 1qig h ASN 409 Ca 0.38 -0.10 -0.21 0.00 -0.55 0.00 0.00 56.30 55.83 1qig h ASN 409 Cb -0.04 -0.05 0.02 0.00 0.05 0.00 0.00 38.32 38.30 1qig h ASN 409 CO -0.11 0.76 -0.80 0.11 -1.65 0.00 0.00 177.43 175.75 1qig h LYS 410 N 0.10 0.60 -0.10 0.81 1.79 -0.45 -3.32 116.57 116.00 1qig h LYS 410 Ca -0.01 -0.60 -0.02 0.00 -2.18 0.00 0.00 60.65 57.85 1qig h LYS 410 Cb 1.17 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1qig h LYS 410 CO 0.09 1.21 0.00 -0.92 -1.08 0.00 0.00 179.45 178.76 1qig h TYR 411 N 0.21 0.19 -0.31 -1.35 5.03 -0.39 -3.10 116.97 117.25 1qig h TYR 411 Ca -0.09 -0.03 0.09 0.00 2.58 0.00 0.00 58.73 61.28 1qig h TYR 411 Cb 1.46 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.68 1qig h TYR 411 CO 0.12 0.42 0.41 1.15 -1.32 0.00 0.00 178.16 178.94 1qig h THR 412 N -0.10 0.30 0.00 1.81 2.02 -1.33 0.18 112.91 115.79 1qig h THR 412 Ca 0.03 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 1qig h THR 412 Cb 0.35 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1qig h THR 412 CO 0.00 0.00 -0.26 0.50 0.37 0.00 0.00 175.52 176.14 1qig h LYS 413 N 0.00 0.00 0.00 6.66 3.64 -1.64 -3.29 116.57 121.94 1qig h LYS 413 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1qig h LYS 413 Cb 0.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1qig h LYS 413 CO -0.00 0.26 -0.32 1.19 -2.27 0.00 0.00 179.45 178.30 1qig n PHE 414 N -3.65 0.00 -1.24 1.91 3.01 0.19 -5.08 117.46 112.59 1qig n PHE 414 Ca -0.01 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.15 1qig n PHE 414 Cb 0.38 -0.01 0.23 0.00 -0.01 0.00 0.00 39.48 40.07 1qig n PHE 414 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1qig s GLY 415 N -1.43 1.62 -0.16 1.37 0.00 0.40 -4.84 107.32 104.28 1qig s GLY 415 Ca 0.00 -0.97 0.17 0.00 0.00 0.00 0.00 44.72 43.92 1qig s GLY 415 CO 0.08 -0.12 1.36 -2.01 0.00 0.00 0.00 173.10 172.41 1qig n ASN 416 N -4.55 3.53 0.00 1.64 2.85 -0.50 -4.91 115.26 113.32 1qig n ASN 416 Ca 0.13 -2.98 0.00 0.00 -0.11 0.00 0.00 54.58 51.63 1qig n ASN 416 Cb 0.59 -0.50 0.00 0.00 1.24 0.00 0.00 39.78 41.11 1qig n ASN 416 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qig n GLY 417 N -0.64 3.39 3.10 8.20 0.00 -1.25 -4.72 105.19 113.27 1qig n GLY 417 Ca 0.20 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 1qig n GLY 417 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qig s THR 418 N 0.00 1.24 -0.12 2.61 2.01 -1.26 -0.92 115.64 119.20 1qig s THR 418 Ca 0.00 -0.62 -0.00 0.00 0.31 0.00 0.00 61.69 61.38 1qig s THR 418 Cb 0.00 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.46 1qig s THR 418 CO 0.00 0.36 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.90 1qig s TYR 419 N 0.06 1.59 -0.03 4.92 2.02 -0.51 -0.13 117.35 125.27 1qig s TYR 419 Ca -0.03 -0.81 0.05 0.00 -0.37 0.00 0.00 57.07 55.90 1qig s TYR 419 Cb -0.10 -1.29 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 1qig s TYR 419 CO 0.02 -0.54 -0.15 -1.17 -1.57 0.00 0.00 175.55 172.14 1qig s LEU 420 N 1.67 2.69 0.18 -1.29 2.96 -1.26 -0.84 118.68 122.80 1qig s LEU 420 Ca 0.05 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 1qig s LEU 420 Cb -0.13 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 1qig s LEU 420 CO -0.09 0.32 -0.04 -0.72 -1.32 0.00 0.00 176.35 174.51 1qig s TYR 421 N -0.78 1.35 -0.24 5.38 -0.85 -0.49 -2.35 117.35 119.38 1qig s TYR 421 Ca 0.12 -0.88 -0.03 0.00 -0.52 0.00 0.00 57.07 55.76 1qig s TYR 421 Cb -0.11 -0.75 0.08 0.00 0.38 0.00 0.00 41.96 41.56 1qig s TYR 421 CO 0.02 -0.03 0.07 0.12 -1.52 0.00 0.00 175.55 174.20 1qig s PHE 422 N -3.44 1.01 -0.39 -3.49 5.36 -0.29 -2.87 117.98 113.86 1qig s PHE 422 Ca 0.22 -1.04 -0.26 0.00 -0.96 0.00 0.00 56.93 54.90 1qig s PHE 422 Cb 0.05 -1.15 0.02 0.00 -0.34 0.00 0.00 43.02 41.59 1qig s PHE 422 CO 0.04 -0.71 0.92 0.12 -1.46 0.00 0.00 175.22 174.13 1qig s PHE 423 N 1.86 3.04 -0.24 10.12 5.36 0.00 -0.95 117.98 137.17 1qig s PHE 423 Ca 0.04 0.65 0.16 0.00 -0.96 0.00 0.00 56.93 56.81 1qig s PHE 423 Cb -0.17 -3.72 0.47 0.00 -0.34 0.00 0.00 43.02 39.26 1qig s PHE 423 CO -0.18 -0.90 1.16 0.27 -1.46 0.00 0.00 175.22 174.11 1qig n ASN 424 N 6.86 2.83 -4.41 6.13 6.94 -1.14 -1.51 115.26 130.96 1qig n ASN 424 Ca 0.07 -2.86 -0.35 0.00 -0.02 0.00 0.00 54.58 51.41 1qig n ASN 424 Cb 0.48 -0.41 -0.13 0.00 -2.36 0.00 0.00 39.78 37.36 1qig n ASN 424 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1qig s HIS 425 N -3.30 3.03 -0.33 -2.53 2.46 -1.25 -4.96 115.29 108.40 1qig s HIS 425 Ca 0.38 -0.57 -0.21 0.00 0.47 0.00 0.00 55.06 55.13 1qig s HIS 425 Cb 0.37 -2.12 -0.00 0.00 -0.13 0.00 0.00 32.58 30.70 1qig s HIS 425 CO -0.02 -0.34 0.67 0.50 -2.47 0.00 0.00 174.74 173.08 1qig s ARG 426 N 1.24 3.83 0.29 2.88 3.52 -1.26 -4.89 118.95 124.56 1qig s ARG 426 Ca 0.03 0.27 -0.28 0.00 -0.13 0.00 0.00 55.73 55.63 1qig s ARG 426 Cb -0.15 -3.76 -0.14 0.00 -1.56 0.00 0.00 34.95 29.34 1qig s ARG 426 CO 0.01 -0.67 0.95 0.00 -0.81 0.00 0.00 175.30 174.78 1qig n ALA 427 N 6.04 -0.51 0.26 6.12 0.00 -1.26 -4.88 120.51 126.29 1qig n ALA 427 Ca 0.00 0.39 0.14 0.00 0.00 0.00 0.00 53.44 53.97 1qig n ALA 427 Cb 0.49 -1.97 0.60 0.00 0.00 0.00 0.00 19.45 18.56 1qig n ALA 427 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qig h SER 428 N 1.85 0.00 -0.52 0.00 4.64 -1.95 -3.14 113.55 114.43 1qig h SER 428 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1qig h SER 428 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1qig h SER 428 CO 0.60 0.09 0.00 -0.46 -0.87 0.00 0.00 176.83 176.19 1qig n ASN 429 N -3.23 5.18 -4.75 4.97 0.23 -1.26 -5.00 115.26 111.40 1qig n ASN 429 Ca 0.00 -2.86 -0.41 0.00 -0.53 0.00 0.00 54.58 50.78 1qig n ASN 429 Cb 0.35 -0.63 -0.02 0.00 -2.08 0.00 0.00 39.78 37.39 1qig n ASN 429 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1qig s LEU 430 N -2.60 4.40 0.05 -4.53 1.43 -1.19 -4.91 118.68 111.32 1qig s LEU 430 Ca 0.51 2.66 0.24 0.00 -1.03 0.00 0.00 54.13 56.50 1qig s LEU 430 Cb 0.38 -3.63 0.23 0.00 0.03 0.00 0.00 46.19 43.21 1qig s LEU 430 CO 0.16 -0.66 1.20 1.33 0.23 0.00 0.00 176.35 178.62 1qig n VAL 431 N 1.99 0.15 -2.15 -1.59 0.24 -1.26 -4.91 118.33 110.80 1qig n VAL 431 Ca 0.05 -0.16 -0.33 0.00 -2.04 0.00 0.00 64.34 61.87 1qig n VAL 431 Cb 0.41 0.20 -0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1qig n VAL 431 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1qig s TRP 432 N -3.12 3.09 0.96 6.34 0.52 -1.26 -5.00 118.94 120.48 1qig s TRP 432 Ca 0.07 1.50 -0.11 0.00 0.02 0.00 0.00 56.10 57.59 1qig s TRP 432 Cb 0.15 -2.96 0.17 0.00 -1.15 0.00 0.00 33.47 29.68 1qig s TRP 432 CO 0.76 -0.93 1.12 -1.25 0.02 0.00 0.00 176.95 176.66 1qig s PRO 433 N -4.03 0.65 0.22 4.98 0.04 -1.26 -4.94 135.00 130.66 1qig s PRO 433 Ca 0.63 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.95 1qig s PRO 433 Cb -0.15 -1.70 0.18 0.00 0.04 0.00 0.00 34.50 32.87 1qig s PRO 433 CO 0.35 -2.82 1.78 0.93 0.04 0.00 0.00 177.00 177.28 1qig h GLU 434 N -2.00 1.18 0.00 4.56 4.39 -1.95 -2.99 114.58 117.77 1qig h GLU 434 Ca -0.47 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.01 1qig h GLU 434 Cb 1.28 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1qig h GLU 434 CO 0.44 0.96 0.10 0.11 -1.16 0.00 0.00 179.01 179.46 1qig h TRP 435 N 1.15 0.00 0.00 4.33 5.08 -1.92 -0.73 115.95 123.86 1qig h TRP 435 Ca 0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.23 1qig h TRP 435 Cb 0.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.38 1qig h TRP 435 CO 0.02 0.00 0.00 0.52 -1.28 0.00 0.00 178.44 177.70 1qig h MET 436 N 0.00 0.00 0.00 0.12 2.86 -1.89 -3.49 114.93 112.53 1qig h MET 436 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1qig h MET 436 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1qig h MET 436 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1qig n GLY 437 N 1.00 2.91 3.49 8.32 0.00 -0.28 -4.15 105.19 116.47 1qig n GLY 437 Ca 0.04 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1qig n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qig s VAL 438 N 0.00 4.51 0.54 1.61 1.01 -1.26 -4.88 120.40 121.92 1qig s VAL 438 Ca 0.00 -1.43 -0.21 0.00 0.00 0.00 0.00 61.98 60.34 1qig s VAL 438 Cb 0.00 -4.88 -0.05 0.00 0.00 0.00 0.00 36.38 31.45 1qig s VAL 438 CO 0.00 -1.65 1.23 -0.63 0.00 0.00 0.00 175.10 174.05 1qig s ILE 439 N 3.29 2.67 -0.01 2.22 1.01 -1.26 -1.95 121.20 127.18 1qig s ILE 439 Ca 0.38 0.46 -0.35 0.00 0.00 0.00 0.00 60.65 61.14 1qig s ILE 439 Cb -0.03 -3.22 -0.14 0.00 0.01 0.00 0.00 42.46 39.08 1qig s ILE 439 CO -0.09 -0.04 1.67 1.57 0.00 0.00 0.00 174.94 178.05 1qig n HIS 440 N -1.07 2.14 -0.14 3.97 -0.00 -1.26 -1.61 115.22 117.24 1qig n HIS 440 Ca 0.11 0.27 0.00 0.00 -0.00 0.00 0.00 57.72 58.10 1qig n HIS 440 Cb 0.48 -2.54 0.00 0.00 -0.00 0.00 0.00 29.99 27.93 1qig n HIS 440 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qig n GLY 441 N 3.73 1.53 0.99 1.57 0.00 -1.26 -4.93 105.19 106.83 1qig n GLY 441 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.27 1qig n GLY 441 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qig n TYR 442 N -2.00 0.82 0.41 1.61 4.02 -0.63 -2.95 117.16 118.44 1qig n TYR 442 Ca 0.00 -0.31 0.11 0.00 -0.01 0.00 0.00 57.90 57.68 1qig n TYR 442 Cb 0.00 -0.19 -0.15 0.00 -0.02 0.00 0.00 39.34 38.98 1qig n TYR 442 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1qig n GLU 443 N 0.40 0.39 -0.03 -0.72 0.00 -1.26 -4.35 120.64 115.07 1qig n GLU 443 Ca 0.13 -0.12 -0.09 0.00 0.00 0.00 0.00 57.16 57.09 1qig n GLU 443 Cb 0.56 -1.51 -0.03 0.00 0.00 0.00 0.00 31.44 30.46 1qig n GLU 443 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1qig h ILE 444 N 0.00 0.82 -0.23 3.84 2.04 -1.94 -2.08 117.51 119.97 1qig h ILE 444 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1qig h ILE 444 Cb 0.79 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1qig h ILE 444 CO 0.00 0.00 0.23 1.05 0.00 0.00 0.00 178.15 179.43 1qig h GLU 445 N -0.00 0.00 0.11 2.37 4.11 -1.78 0.52 114.58 119.90 1qig h GLU 445 Ca 0.09 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.24 1qig h GLU 445 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1qig h GLU 445 CO -0.19 0.00 -1.28 0.74 0.07 0.00 0.00 179.01 178.35 1qig h PHE 446 N 0.00 0.42 -0.34 2.06 -1.00 -1.65 -0.86 116.94 115.57 1qig h PHE 446 Ca 0.11 -0.31 -0.10 0.00 2.81 0.00 0.00 57.97 60.48 1qig h PHE 446 Cb 0.57 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.09 1qig h PHE 446 CO 0.00 1.26 -0.22 0.28 -1.61 0.00 0.00 178.31 178.02 1qig h VAL 447 N 0.06 1.27 -0.21 -0.55 2.07 -0.43 -2.84 116.25 115.62 1qig h VAL 447 Ca -0.14 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1qig h VAL 447 Cb 1.96 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1qig h VAL 447 CO 0.19 0.42 0.00 0.49 0.02 0.00 0.00 177.57 178.69 1qig n PHE 448 N -4.12 0.27 -1.45 1.57 3.01 -0.35 -4.68 117.46 111.71 1qig n PHE 448 Ca 0.00 -0.13 -0.09 0.00 1.01 0.00 0.00 57.45 58.24 1qig n PHE 448 Cb 0.41 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.85 1qig n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qig n GLY 449 N 1.19 0.82 0.34 1.37 0.00 -1.04 -4.08 105.19 103.79 1qig n GLY 449 Ca 0.16 -0.62 0.15 0.00 0.00 0.00 0.00 46.02 45.71 1qig n GLY 449 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qig h LEU 450 N 0.00 0.09 -2.00 0.99 -0.00 -1.44 -1.72 115.31 111.23 1qig h LEU 450 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1qig h LEU 450 Cb 0.69 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1qig h LEU 450 CO 0.26 0.06 0.00 -0.65 -0.00 0.00 0.00 178.44 178.10 1qig h PRO 451 N 0.10 0.00 0.00 1.13 0.11 -1.90 -2.45 132.00 129.00 1qig h PRO 451 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1qig h PRO 451 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1qig h PRO 451 CO -0.02 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.05 1qig n LEU 452 N -2.81 0.00 -4.41 2.35 4.77 -0.65 -4.56 117.00 111.70 1qig n LEU 452 Ca -0.01 0.45 -0.43 0.00 -0.03 0.00 0.00 56.01 55.99 1qig n LEU 452 Cb 0.14 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 40.69 1qig n LEU 452 CO 0.20 -0.12 -0.03 0.54 -1.33 0.00 0.00 177.39 176.65 1qig s VAL 453 N -2.90 5.13 0.21 4.08 0.11 -0.92 -4.99 120.40 121.11 1qig s VAL 453 Ca 0.13 -0.92 -0.20 0.00 -2.93 0.00 0.00 61.98 58.05 1qig s VAL 453 Cb 0.14 -3.98 0.16 0.00 -1.53 0.00 0.00 36.38 31.18 1qig s VAL 453 CO 0.38 -0.45 1.56 0.11 -3.33 0.00 0.00 175.10 173.37 1qig h LYS 454 N 8.66 -0.05 0.00 1.54 1.79 -1.87 -1.52 116.57 125.12 1qig h LYS 454 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1qig h LYS 454 Cb 1.11 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1qig h LYS 454 CO 0.80 -0.03 0.18 -0.85 -1.08 0.00 0.00 179.45 178.47 1qig n GLU 455 N -5.43 0.00 0.05 3.15 0.00 -1.26 -0.42 120.64 116.72 1qig n GLU 455 Ca 0.07 0.30 0.12 0.00 0.00 0.00 0.00 57.16 57.66 1qig n GLU 455 Cb 0.37 -1.68 0.18 0.00 0.00 0.00 0.00 31.44 30.31 1qig n GLU 455 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1qig n LEU 456 N -1.30 0.64 -0.76 -1.84 4.77 -0.57 -5.00 117.00 112.95 1qig n LEU 456 Ca 0.00 0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 56.14 1qig n LEU 456 Cb 0.18 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1qig n LEU 456 CO 0.00 -0.02 0.02 0.59 -1.33 0.00 0.00 177.39 176.65 1qig n ASN 457 N -1.99 -2.29 -4.95 -1.43 3.02 0.44 -5.01 115.26 103.05 1qig n ASN 457 Ca 0.04 -0.04 -0.23 0.00 -0.03 0.00 0.00 54.58 54.32 1qig n ASN 457 Cb 0.42 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 1qig n ASN 457 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1qig s TYR 458 N -3.02 3.30 0.80 3.10 1.51 -1.26 -4.68 117.35 117.10 1qig s TYR 458 Ca 0.04 0.22 -0.12 0.00 -1.01 0.00 0.00 57.07 56.20 1qig s TYR 458 Cb -0.02 -2.14 0.08 0.00 -0.11 0.00 0.00 41.96 39.77 1qig s TYR 458 CO 0.05 -0.16 1.17 0.95 -1.11 0.00 0.00 175.55 176.45 1qig s THR 459 N -2.44 2.13 0.28 -0.71 -4.23 -1.26 -4.92 115.64 104.50 1qig s THR 459 Ca 0.45 0.04 0.03 0.00 -1.18 0.00 0.00 61.69 61.03 1qig s THR 459 Cb -0.10 -3.04 0.05 0.00 1.34 0.00 0.00 72.50 70.76 1qig s THR 459 CO 0.37 -0.06 1.71 0.00 -0.54 0.00 0.00 174.62 176.09 1qig h ALA 460 N -1.03 1.08 0.00 3.99 0.00 -1.98 -2.29 119.26 119.02 1qig h ALA 460 Ca -0.46 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.04 1qig h ALA 460 Cb 1.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1qig h ALA 460 CO 0.66 0.57 -0.19 1.05 0.00 0.00 0.00 179.25 181.34 1qig h GLU 461 N 0.37 0.00 0.01 0.00 9.09 -1.99 -1.80 114.58 120.26 1qig h GLU 461 Ca 0.05 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.25 1qig h GLU 461 Cb 0.72 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.80 1qig h GLU 461 CO 0.06 0.19 -1.00 0.93 0.05 0.00 0.00 179.01 179.23 1qig h GLU 462 N 0.00 0.02 -0.35 1.06 5.08 -1.83 -1.76 114.58 116.80 1qig h GLU 462 Ca -0.00 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 1qig h GLU 462 Cb 0.74 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1qig h GLU 462 CO 0.02 1.00 -0.44 1.49 -1.00 0.00 0.00 179.01 180.08 1qig h GLU 463 N 0.00 0.92 -0.36 2.33 4.81 -1.12 -1.40 114.58 119.77 1qig h GLU 463 Ca -0.02 -0.52 -0.10 0.00 -0.13 0.00 0.00 59.36 58.60 1qig h GLU 463 Cb 1.76 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 31.16 1qig h GLU 463 CO 0.13 1.17 -0.17 0.00 -0.73 0.00 0.00 179.01 179.41 1qig h ALA 464 N 0.74 1.03 -0.34 2.92 0.00 -1.32 -2.24 119.26 120.04 1qig h ALA 464 Ca 0.04 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1qig h ALA 464 Cb 1.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1qig h ALA 464 CO 0.11 0.58 -0.24 1.25 0.00 0.00 0.00 179.25 180.95 1qig h LEU 465 N 0.59 0.69 -0.67 0.00 5.85 -1.12 -2.27 115.31 118.38 1qig h LEU 465 Ca 0.09 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 1qig h LEU 465 Cb 0.63 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1qig h LEU 465 CO 0.04 0.91 -0.13 -1.28 -0.34 0.00 0.00 178.44 177.65 1qig h SER 466 N 0.59 0.90 -0.50 1.25 0.87 -0.93 -1.91 113.55 113.82 1qig h SER 466 Ca 0.08 -0.29 -0.12 0.00 -1.23 0.00 0.00 61.79 60.23 1qig h SER 466 Cb 0.72 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1qig h SER 466 CO 0.06 1.03 -0.17 0.03 -0.53 0.00 0.00 176.83 177.25 1qig h ARG 467 N 0.80 1.00 -0.35 2.24 3.08 -1.26 -0.03 114.38 119.86 1qig h ARG 467 Ca 0.13 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1qig h ARG 467 Cb 0.66 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1qig h ARG 467 CO 0.05 1.08 0.23 0.00 -1.07 0.00 0.00 179.97 180.26 1qig h ARG 468 N 0.86 0.47 -0.37 0.04 3.08 -1.26 -0.03 114.38 117.17 1qig h ARG 468 Ca 0.12 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 1qig h ARG 468 Cb 0.75 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1qig h ARG 468 CO 0.06 0.32 -0.05 0.82 -1.07 0.00 0.00 179.97 180.05 1qig h ILE 469 N 0.47 1.27 -0.88 2.04 2.04 -1.22 -0.47 117.51 120.76 1qig h ILE 469 Ca 0.13 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1qig h ILE 469 Cb -0.04 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1qig h ILE 469 CO -0.03 0.36 0.56 0.24 0.00 0.00 0.00 178.15 179.28 1qig h MET 470 N 0.49 1.17 -0.00 2.37 2.86 -0.81 -0.11 114.93 120.90 1qig h MET 470 Ca 0.10 -0.08 -0.14 0.00 -2.06 0.00 0.00 59.70 57.52 1qig h MET 470 Cb 0.54 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1qig h MET 470 CO 0.03 0.79 -0.67 1.25 1.06 0.00 0.00 176.91 179.37 1qig h HIS 471 N 1.19 0.01 0.26 -0.22 -0.00 -0.79 -1.01 115.15 114.58 1qig h HIS 471 Ca 0.32 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.67 1qig h HIS 471 Cb -0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.31 1qig h HIS 471 CO 0.00 0.67 -0.12 1.88 -0.00 0.00 0.00 177.93 180.36 1qig h TYR 472 N 0.01 -0.32 -0.48 5.26 0.05 -0.24 -0.50 116.97 120.74 1qig h TYR 472 Ca -0.01 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.83 1qig h TYR 472 Cb 1.18 0.11 -0.05 0.00 1.01 0.00 0.00 36.73 38.97 1qig h TYR 472 CO 0.00 0.05 0.19 -1.49 -1.05 0.00 0.00 178.16 175.86 1qig h TRP 473 N -0.83 0.33 -0.34 4.88 -0.00 -1.06 0.42 115.95 119.35 1qig h TRP 473 Ca -0.04 0.02 -0.14 0.00 -0.00 0.00 0.00 58.89 58.74 1qig h TRP 473 Cb 0.51 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 29.59 1qig h TRP 473 CO 0.05 0.13 -0.32 0.00 -0.00 0.00 0.00 178.44 178.29 1qig h ALA 474 N 1.31 0.49 -0.28 1.49 0.00 -1.24 -0.95 119.26 120.08 1qig h ALA 474 Ca 0.23 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1qig h ALA 474 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1qig h ALA 474 CO -0.22 0.54 -0.23 1.15 0.00 0.00 0.00 179.25 180.49 1qig h THR 475 N 0.59 1.26 -0.41 0.00 2.02 -0.86 -1.76 112.91 113.75 1qig h THR 475 Ca 0.06 -1.25 -0.14 0.00 0.77 0.00 0.00 66.41 65.85 1qig h THR 475 Cb 0.90 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1qig h THR 475 CO 0.08 0.40 -0.29 0.15 0.37 0.00 0.00 175.52 176.23 1qig h PHE 476 N 0.47 1.04 -0.63 3.16 3.57 -0.80 -1.38 116.94 122.37 1qig h PHE 476 Ca 0.07 -0.27 -0.03 0.00 3.53 0.00 0.00 57.97 61.27 1qig h PHE 476 Cb 0.66 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1qig h PHE 476 CO 0.02 1.07 0.27 0.00 -2.23 0.00 0.00 178.31 177.45 1qig h ALA 477 N 0.91 1.30 0.06 2.41 0.00 -0.69 0.36 119.26 123.61 1qig h ALA 477 Ca 0.08 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 1qig h ALA 477 Cb 0.86 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 18.41 1qig h ALA 477 CO 0.08 0.53 -0.89 0.87 0.00 0.00 0.00 179.25 179.83 1qig h LYS 478 N 0.89 0.49 0.00 0.00 1.57 -1.20 -3.42 116.57 114.91 1qig h LYS 478 Ca 0.22 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1qig h LYS 478 Cb 0.14 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1qig h LYS 478 CO -0.02 1.24 -0.95 0.25 -0.57 0.00 0.00 179.45 179.40 1qig n THR 479 N -4.03 0.00 -0.42 -0.16 -2.24 -0.53 -5.02 114.28 101.88 1qig n THR 479 Ca -0.12 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1qig n THR 479 Cb 0.82 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 1qig n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qig n GLY 480 N 2.05 0.78 3.05 3.38 0.00 0.13 -5.03 105.19 109.54 1qig n GLY 480 Ca -0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1qig n GLY 480 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qig s ASN 481 N -2.09 0.24 0.33 1.61 3.84 -1.25 -4.93 114.94 112.69 1qig s ASN 481 Ca 0.00 0.66 0.25 0.00 0.21 0.00 0.00 52.86 53.98 1qig s ASN 481 Cb 0.00 0.81 1.17 0.00 -0.55 0.00 0.00 41.25 42.68 1qig s ASN 481 CO 0.00 -0.24 1.75 1.55 -2.79 0.00 0.00 177.10 177.37 1qig h PRO 482 N 8.26 0.00 -6.39 0.43 0.13 -1.82 -3.24 132.00 129.38 1qig h PRO 482 Ca -0.15 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.44 1qig h PRO 482 Cb 1.11 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 1qig h PRO 482 CO 0.13 0.00 -0.01 -0.80 -0.23 0.00 0.00 178.00 177.09 1qig s ASN 483 N -4.32 6.95 0.04 1.44 0.01 -1.26 -4.50 114.94 113.29 1qig s ASN 483 Ca 0.01 1.23 -0.30 0.00 -0.71 0.00 0.00 52.86 53.08 1qig s ASN 483 Cb 0.08 -2.35 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 1qig s ASN 483 CO 0.33 0.11 1.23 -1.61 -1.51 0.00 0.00 177.10 175.65 1qig s GLU 484 N -1.80 4.40 0.06 -0.60 0.41 -1.26 -4.95 118.70 114.95 1qig s GLU 484 Ca 0.38 1.79 -0.11 0.00 -0.41 0.00 0.00 54.97 56.61 1qig s GLU 484 Cb -0.16 -3.40 -0.03 0.00 -1.78 0.00 0.00 34.13 28.76 1qig s GLU 484 CO 0.20 -0.33 0.84 -2.30 -0.49 0.00 0.00 175.26 173.18 1qig n PRO 485 N 4.29 -0.16 -0.48 0.39 -0.02 -1.26 -2.20 135.00 135.55 1qig n PRO 485 Ca 0.10 0.83 0.06 0.00 -2.02 0.00 0.00 63.50 62.47 1qig n PRO 485 Cb 0.46 -1.23 0.24 0.00 -0.02 0.00 0.00 33.50 32.95 1qig n PRO 485 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1qig n HIS 486 N -3.86 0.89 -0.65 6.00 8.25 -1.26 -5.06 115.22 119.54 1qig n HIS 486 Ca 0.01 -1.03 -0.31 0.00 -0.26 0.00 0.00 57.72 56.12 1qig n HIS 486 Cb 0.09 -0.34 0.18 0.00 1.12 0.00 0.00 29.99 31.05 1qig n HIS 486 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1qig n SER 487 N -0.73 -2.09 -0.00 0.41 2.88 -0.94 -4.95 113.62 108.20 1qig n SER 487 Ca 0.23 -0.05 0.04 0.00 -1.33 0.00 0.00 58.87 57.77 1qig n SER 487 Cb 0.90 -1.08 -0.05 0.00 -0.75 0.00 0.00 64.21 63.23 1qig n SER 487 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qig n GLN 488 N -2.75 3.95 -0.81 -1.46 1.13 -1.26 -5.02 117.38 111.15 1qig n GLN 488 Ca 0.02 -0.01 -0.29 0.00 -1.94 0.00 0.00 57.00 54.79 1qig n GLN 488 Cb 0.59 -0.91 0.23 0.00 0.11 0.00 0.00 30.24 30.26 1qig n GLN 488 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1qig s GLU 489 N -1.83 -0.92 0.29 -1.09 0.41 -1.26 -4.96 118.70 109.34 1qig s GLU 489 Ca 0.02 0.45 -0.29 0.00 -0.41 0.00 0.00 54.97 54.74 1qig s GLU 489 Cb 0.06 -1.59 -0.10 0.00 -1.78 0.00 0.00 34.13 30.72 1qig s GLU 489 CO 0.33 -3.62 1.24 0.45 -0.49 0.00 0.00 175.26 173.17 1qig s SER 490 N -3.14 6.95 -0.05 -0.19 0.15 -1.26 -5.01 113.70 111.15 1qig s SER 490 Ca 0.68 2.51 -0.21 0.00 0.70 0.00 0.00 55.95 59.63 1qig s SER 490 Cb -0.19 -2.64 -0.05 0.00 -1.71 0.00 0.00 66.02 61.44 1qig s SER 490 CO 0.60 -0.41 0.62 -0.54 1.20 0.00 0.00 173.24 174.71 1qig s LYS 491 N -1.42 4.37 -0.67 5.44 -0.14 -1.26 -5.02 119.74 121.04 1qig s LYS 491 Ca 0.49 0.75 -0.26 0.00 -1.36 0.00 0.00 55.97 55.59 1qig s LYS 491 Cb -0.37 -3.40 0.04 0.00 -1.68 0.00 0.00 37.83 32.43 1qig s LYS 491 CO 0.47 0.22 1.14 -0.46 -0.76 0.00 0.00 175.35 175.95 1qig s TRP 492 N 0.32 2.50 0.83 3.18 -0.11 -1.26 -5.00 118.94 119.40 1qig s TRP 492 Ca 0.33 -0.10 -0.12 0.00 1.22 0.00 0.00 56.10 57.42 1qig s TRP 492 Cb -0.18 -4.45 0.09 0.00 -1.50 0.00 0.00 33.47 27.44 1qig s TRP 492 CO 0.16 -1.79 1.17 -1.25 -4.62 0.00 0.00 176.95 170.63 1qig s PRO 493 N 4.93 1.57 0.16 5.86 0.04 -1.26 -4.90 135.00 141.40 1qig s PRO 493 Ca 0.32 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 1qig s PRO 493 Cb -0.11 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 1qig s PRO 493 CO 0.16 -2.24 0.94 -1.17 0.04 0.00 0.00 177.00 174.73 1qig s LEU 494 N -5.95 4.56 -0.18 -3.56 2.96 -1.26 -4.72 118.68 110.53 1qig s LEU 494 Ca 0.70 1.83 -0.27 0.00 -0.22 0.00 0.00 54.13 56.17 1qig s LEU 494 Cb -0.25 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.86 1qig s LEU 494 CO 0.53 0.03 0.94 0.12 -1.32 0.00 0.00 176.35 176.65 1qig s PHE 495 N -0.49 3.41 0.22 5.38 2.19 0.82 -4.54 117.98 124.97 1qig s PHE 495 Ca 0.44 1.40 0.11 0.00 0.33 0.00 0.00 56.93 59.20 1qig s PHE 495 Cb -0.24 -3.14 -0.05 0.00 -1.31 0.00 0.00 43.02 38.28 1qig s PHE 495 CO 0.30 -0.32 -0.20 0.95 1.83 0.00 0.00 175.22 177.78 1qig s THR 496 N 2.49 2.20 0.39 0.12 -4.23 -1.26 -4.32 115.64 111.03 1qig s THR 496 Ca 0.42 -2.16 0.11 0.00 -1.18 0.00 0.00 61.69 58.89 1qig s THR 496 Cb -0.16 -2.11 0.33 0.00 1.34 0.00 0.00 72.50 71.89 1qig s THR 496 CO 0.11 -0.32 1.92 0.74 -0.54 0.00 0.00 174.62 176.54 1qig h THR 497 N 2.82 0.86 0.18 3.99 2.02 -1.95 0.30 112.91 121.13 1qig h THR 497 Ca -0.42 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 1qig h THR 497 Cb 1.23 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1qig h THR 497 CO 0.54 0.11 -0.09 0.50 0.37 0.00 0.00 175.52 176.95 1qig h LYS 498 N 0.58 -0.23 0.08 6.66 3.64 -2.01 -3.40 116.57 121.89 1qig h LYS 498 Ca 0.38 0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.51 1qig h LYS 498 Cb 0.66 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1qig h LYS 498 CO -0.14 -0.16 -1.21 0.93 -2.27 0.00 0.00 179.45 176.60 1qig h GLU 499 N -0.82 0.18 -5.97 1.90 4.39 -1.95 -3.48 114.58 108.81 1qig h GLU 499 Ca -0.02 -0.30 -0.43 0.00 0.34 0.00 0.00 59.36 58.94 1qig h GLU 499 Cb 0.19 0.11 0.07 0.00 -0.10 0.00 0.00 28.75 29.01 1qig h GLU 499 CO 0.04 1.12 -0.71 1.04 -1.16 0.00 0.00 179.01 179.34 1qig n GLN 500 N -3.45 -6.90 -2.36 2.33 6.02 0.09 -4.44 117.38 108.67 1qig n GLN 500 Ca -0.07 0.74 -0.35 0.00 -0.01 0.00 0.00 57.00 57.32 1qig n GLN 500 Cb 1.00 -5.73 -0.01 0.00 1.02 0.00 0.00 30.24 26.52 1qig n GLN 500 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1qig s LYS 501 N -6.41 3.52 0.21 -1.09 1.02 -1.26 -2.54 119.74 113.18 1qig s LYS 501 Ca 0.61 1.51 -0.16 0.00 0.02 0.00 0.00 55.97 57.95 1qig s LYS 501 Cb -0.28 -2.04 0.02 0.00 -0.52 0.00 0.00 37.83 35.00 1qig s LYS 501 CO 0.75 -0.69 0.50 -0.59 -0.92 0.00 0.00 175.35 174.40 1qig s PHE 502 N -1.87 0.02 0.26 3.18 -0.71 -0.61 -4.25 117.98 114.00 1qig s PHE 502 Ca 0.70 -0.38 0.11 0.00 -1.04 0.00 0.00 56.93 56.32 1qig s PHE 502 Cb -0.21 0.32 -0.05 0.00 -1.21 0.00 0.00 43.02 41.88 1qig s PHE 502 CO 0.25 -0.93 -0.18 0.96 -1.34 0.00 0.00 175.22 173.97 1qig s ILE 503 N -3.91 2.27 0.36 -4.49 -4.36 -0.99 -0.03 121.20 110.04 1qig s ILE 503 Ca 0.13 -2.35 -0.05 0.00 -0.26 0.00 0.00 60.65 58.12 1qig s ILE 503 Cb -0.01 -2.22 -0.05 0.00 1.25 0.00 0.00 42.46 41.43 1qig s ILE 503 CO 0.00 -0.45 0.63 -1.81 0.24 0.00 0.00 174.94 173.55 1qig s ASP 504 N -3.44 6.39 -0.30 4.36 1.01 -1.09 -1.14 116.67 122.46 1qig s ASP 504 Ca 0.28 0.76 0.00 0.00 0.71 0.00 0.00 52.55 54.30 1qig s ASP 504 Cb -0.04 -2.17 0.09 0.00 1.01 0.00 0.00 42.92 41.82 1qig s ASP 504 CO 0.13 -0.32 0.06 -0.22 0.21 0.00 0.00 175.17 175.02 1qig s LEU 505 N -3.99 2.77 0.00 1.23 2.96 -0.12 -4.67 118.68 116.86 1qig s LEU 505 Ca 0.45 -1.62 0.00 0.00 -0.22 0.00 0.00 54.13 52.74 1qig s LEU 505 Cb -0.10 -1.06 0.00 0.00 0.50 0.00 0.00 46.19 45.53 1qig s LEU 505 CO 0.34 -0.37 0.00 -0.46 -1.32 0.00 0.00 176.35 174.54 1qig n ASN 506 N 4.70 0.00 -0.92 3.68 0.23 -1.26 -2.90 115.26 118.79 1qig n ASN 506 Ca -0.03 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.13 1qig n ASN 506 Cb 0.43 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.40 1qig n ASN 506 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1qig n THR 507 N 0.00 0.48 -3.63 5.53 -2.24 -1.26 -4.90 114.28 108.26 1qig n THR 507 Ca 0.00 -0.62 -0.22 0.00 -2.27 0.00 0.00 64.05 60.94 1qig n THR 507 Cb 0.00 0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 68.81 1qig n THR 507 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qig s GLU 508 N -1.52 3.40 0.16 -0.78 2.02 -1.26 -5.02 118.70 115.69 1qig s GLU 508 Ca 0.36 -0.61 -0.34 0.00 0.02 0.00 0.00 54.97 54.40 1qig s GLU 508 Cb 0.20 -2.77 -0.14 0.00 0.10 0.00 0.00 34.13 31.52 1qig s GLU 508 CO 0.28 0.24 1.58 -2.30 0.02 0.00 0.00 175.26 175.08 1qig n PRO 509 N -1.62 2.15 -1.41 0.39 -0.02 -1.26 -4.83 135.00 128.41 1qig n PRO 509 Ca -0.06 0.78 -0.45 0.00 -2.02 0.00 0.00 63.50 61.75 1qig n PRO 509 Cb 0.57 -2.55 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1qig n PRO 509 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1qig n MET 510 N 3.49 0.26 -3.93 -0.52 1.56 -1.26 -4.99 117.12 111.74 1qig n MET 510 Ca 0.17 0.09 -0.16 0.00 -0.27 0.00 0.00 57.70 57.54 1qig n MET 510 Cb 0.29 -1.19 -0.16 0.00 2.15 0.00 0.00 33.22 34.31 1qig n MET 510 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1qig s LYS 511 N -1.17 0.23 -0.08 2.12 1.02 -1.26 -5.06 119.74 115.54 1qig s LYS 511 Ca 0.62 0.05 -0.11 0.00 0.02 0.00 0.00 55.97 56.55 1qig s LYS 511 Cb -0.77 -0.38 -0.05 0.00 -0.52 0.00 0.00 37.83 36.12 1qig s LYS 511 CO 0.59 -0.09 0.26 0.08 -0.92 0.00 0.00 175.35 175.27 1qig s VAL 512 N 0.75 5.29 0.17 3.17 1.01 -1.26 -2.66 120.40 126.87 1qig s VAL 512 Ca -0.07 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.42 1qig s VAL 512 Cb -0.10 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1qig s VAL 512 CO -0.01 0.58 0.05 1.41 0.00 0.00 0.00 175.10 177.12 1qig n HIS 513 N 2.10 0.11 -3.84 5.22 8.25 0.96 -4.96 115.22 123.07 1qig n HIS 513 Ca -0.17 -1.07 -0.12 0.00 -0.26 0.00 0.00 57.72 56.11 1qig n HIS 513 Cb 0.54 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 1qig n HIS 513 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1qig s GLN 514 N -2.65 0.50 -0.95 -0.41 -0.21 -1.26 -1.58 119.66 113.09 1qig s GLN 514 Ca 0.07 -0.26 -0.09 0.00 0.02 0.00 0.00 55.36 55.10 1qig s GLN 514 Cb 0.00 0.21 -0.01 0.00 1.00 0.00 0.00 33.01 34.21 1qig s GLN 514 CO 0.05 -0.12 0.75 0.54 -2.12 0.00 0.00 175.29 174.39 1qig n ARG 515 N 1.60 -1.43 -1.61 2.91 1.74 -1.05 -4.82 116.66 114.00 1qig n ARG 515 Ca -0.21 0.86 -0.54 0.00 -0.77 0.00 0.00 57.85 57.19 1qig n ARG 515 Cb 0.56 -4.44 -0.07 0.00 -1.02 0.00 0.00 32.46 27.49 1qig n ARG 515 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1qig n LEU 516 N -3.08 2.46 -4.36 0.55 7.94 -1.26 -2.22 117.00 117.03 1qig n LEU 516 Ca -0.11 0.84 -0.33 0.00 -1.11 0.00 0.00 56.01 55.30 1qig n LEU 516 Cb 0.59 -1.21 -0.10 0.00 0.53 0.00 0.00 43.42 43.23 1qig n LEU 516 CO 0.61 -0.46 -0.41 0.54 -1.11 0.00 0.00 177.39 176.56 1qig n ARG 517 N 6.57 -0.92 -0.08 1.96 1.74 -1.26 -4.87 116.66 119.79 1qig n ARG 517 Ca 0.31 0.10 -0.07 0.00 -0.77 0.00 0.00 57.85 57.42 1qig n ARG 517 Cb 0.18 -3.82 -0.00 0.00 -1.02 0.00 0.00 32.46 27.80 1qig n ARG 517 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1qig h VAL 518 N -1.61 0.94 -0.51 1.55 -1.51 -1.81 -1.14 116.25 112.17 1qig h VAL 518 Ca -0.65 -0.09 0.10 0.00 -1.23 0.00 0.00 66.70 64.83 1qig h VAL 518 Cb 1.40 0.66 -0.10 0.00 -2.13 0.00 0.00 31.29 31.11 1qig h VAL 518 CO 0.75 0.05 -0.30 -0.61 -1.23 0.00 0.00 177.57 176.23 1qig h GLN 519 N 0.26 -0.17 -0.22 5.19 5.75 -1.89 -0.01 115.11 124.02 1qig h GLN 519 Ca 0.13 0.01 -0.18 0.00 -0.15 0.00 0.00 58.65 58.47 1qig h GLN 519 Cb 0.09 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.67 1qig h GLN 519 CO -0.12 -0.11 -0.58 0.52 -2.65 0.00 0.00 178.83 175.89 1qig h MET 520 N -0.18 0.69 -0.45 1.69 2.86 -1.92 -3.03 114.93 114.59 1qig h MET 520 Ca 0.22 -0.45 -0.04 0.00 -2.06 0.00 0.00 59.70 57.37 1qig h MET 520 Cb 0.53 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1qig h MET 520 CO -0.61 1.07 0.12 0.00 1.06 0.00 0.00 176.91 178.55 1qig h VAL 522 N 0.66 1.26 -0.05 0.00 2.07 -1.00 0.26 116.25 119.45 1qig h VAL 522 Ca 0.15 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1qig h VAL 522 Cb 0.23 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1qig h VAL 522 CO -0.00 0.39 -0.00 0.15 0.02 0.00 0.00 177.57 178.13 1qig h PHE 523 N 0.54 0.09 0.00 1.57 3.57 -1.19 -0.63 116.94 120.90 1qig h PHE 523 Ca 0.09 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1qig h PHE 523 Cb 0.62 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 1qig h PHE 523 CO 0.02 0.37 -0.56 -1.49 -2.23 0.00 0.00 178.31 174.42 1qig h TRP 524 N -0.21 0.00 0.00 0.41 4.06 -0.85 -0.84 115.95 118.51 1qig h TRP 524 Ca 0.01 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.89 1qig h TRP 524 Cb 0.33 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 1qig h TRP 524 CO 0.03 0.56 -2.00 0.09 -3.56 0.00 0.00 178.44 173.57 1qig n ASN 525 N -3.42 0.41 -0.01 -3.49 3.02 0.92 -4.50 115.26 108.18 1qig n ASN 525 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 1qig n ASN 525 Cb 0.68 1.71 -0.02 0.00 -0.61 0.00 0.00 39.78 41.54 1qig n ASN 525 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qig n GLN 526 N -2.30 0.14 0.23 3.52 6.02 -0.29 -4.79 117.38 119.91 1qig n GLN 526 Ca -0.09 0.06 -0.10 0.00 -0.01 0.00 0.00 57.00 56.85 1qig n GLN 526 Cb 0.65 -0.74 -0.05 0.00 1.02 0.00 0.00 30.24 31.12 1qig n GLN 526 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1qig h PHE 527 N -0.25 -0.61 -0.37 1.08 3.57 -1.40 -3.23 116.94 115.74 1qig h PHE 527 Ca -0.10 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.44 1qig h PHE 527 Cb 0.74 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 1qig h PHE 527 CO -0.06 -0.36 0.10 1.25 -2.23 0.00 0.00 178.31 177.00 1qig h LEU 528 N -1.16 0.07 -0.73 0.59 5.85 -1.43 0.11 115.31 118.60 1qig h LEU 528 Ca -0.07 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1qig h LEU 528 Cb 0.51 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 1qig h LEU 528 CO 0.11 0.07 0.37 -0.65 -0.34 0.00 0.00 178.44 178.00 1qig h PRO 529 N 0.23 0.60 -0.60 5.25 0.11 -1.79 0.53 132.00 136.33 1qig h PRO 529 Ca 0.17 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1qig h PRO 529 Cb 0.18 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 1qig h PRO 529 CO -0.21 0.40 0.33 -0.22 -0.21 0.00 0.00 178.00 178.10 1qig h LYS 530 N 0.62 0.84 -0.21 1.05 3.64 -1.39 -1.31 116.57 119.81 1qig h LYS 530 Ca 0.36 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1qig h LYS 530 Cb 0.39 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1qig h LYS 530 CO -0.27 0.64 0.10 1.25 -2.27 0.00 0.00 179.45 178.90 1qig h LEU 531 N 0.82 0.27 -1.56 5.20 6.46 0.25 -1.57 115.31 125.19 1qig h LEU 531 Ca 0.21 -0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.81 1qig h LEU 531 Cb 0.04 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 1qig h LEU 531 CO -0.03 0.31 -0.23 -0.07 -0.62 0.00 0.00 178.44 177.80 1qig h LEU 532 N 0.21 0.00 -0.16 2.25 3.38 -0.78 -1.76 115.31 118.45 1qig h LEU 532 Ca 0.07 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1qig h LEU 532 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1qig h LEU 532 CO -0.01 0.23 -0.74 -1.13 0.09 0.00 0.00 178.44 176.88 1qig h ASN 533 N 0.00 0.00 0.53 -0.43 -0.00 -0.91 -3.31 115.58 111.46 1qig h ASN 533 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.30 56.01 1qig h ASN 533 Cb 0.42 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.71 1qig h ASN 533 CO 0.03 0.74 -1.55 0.00 -0.00 0.00 0.00 177.43 176.65 1qig h ALA 534 N 1.26 0.49 -0.02 1.57 0.00 -1.03 -3.51 119.26 118.02 1qig h ALA 534 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.67 1qig h ALA 534 Cb 1.50 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1qig h ALA 534 CO 0.10 1.34 0.00 0.25 0.00 0.00 0.00 179.25 180.94