#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g6h s MET 5 N 0.00 2.33 0.23 -2.82 0.23 -1.26 -5.04 119.30 112.96 1g6h s MET 5 Ca 0.00 -0.94 -0.30 0.00 -1.03 0.00 0.00 55.69 53.42 1g6h s MET 5 Cb 0.00 -2.42 -0.09 0.00 -1.53 0.00 0.00 34.83 30.80 1g6h s MET 5 CO 0.00 0.52 1.07 -2.00 -2.03 0.00 0.00 175.02 172.58 1g6h s GLU 6 N -2.29 4.66 -0.07 3.16 2.12 -1.26 -1.72 118.70 123.29 1g6h s GLU 6 Ca 0.24 1.71 0.08 0.00 0.36 0.00 0.00 54.97 57.36 1g6h s GLU 6 Cb -0.11 -3.24 -0.12 0.00 0.26 0.00 0.00 34.13 30.91 1g6h s GLU 6 CO 0.16 0.22 0.07 1.51 -0.54 0.00 0.00 175.26 176.67 1g6h n ILE 7 N 1.73 0.50 -3.79 -3.70 3.06 0.20 -4.71 119.36 112.64 1g6h n ILE 7 Ca 0.00 -0.35 -0.13 0.00 -2.50 0.00 0.00 62.75 59.77 1g6h n ILE 7 Cb 0.46 -0.55 -0.12 0.00 0.54 0.00 0.00 39.64 39.96 1g6h n ILE 7 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 1g6h s LEU 8 N -4.47 1.11 -0.00 9.51 2.96 -0.93 -0.07 118.68 126.79 1g6h s LEU 8 Ca -0.04 0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 54.21 1g6h s LEU 8 Cb 0.03 0.71 0.00 0.00 0.50 0.00 0.00 46.19 47.43 1g6h s LEU 8 CO 0.38 -0.08 0.16 0.00 -1.32 0.00 0.00 176.35 175.49 1g6h s ARG 9 N 0.26 0.50 0.05 1.98 1.70 -0.66 -0.21 118.95 122.57 1g6h s ARG 9 Ca -0.01 -0.35 0.08 0.00 -0.47 0.00 0.00 55.73 54.98 1g6h s ARG 9 Cb -0.03 0.21 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 1g6h s ARG 9 CO -0.01 -0.12 -0.22 0.95 -1.08 0.00 0.00 175.30 174.82 1g6h s THR 10 N -1.32 1.76 -0.25 4.99 -4.23 -0.32 -0.76 115.64 115.51 1g6h s THR 10 Ca -0.14 -1.28 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 1g6h s THR 10 Cb -0.07 -1.54 0.06 0.00 1.34 0.00 0.00 72.50 72.30 1g6h s THR 10 CO 0.02 0.20 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.63 1g6h s GLU 11 N -1.28 1.77 -1.35 3.99 2.02 0.90 -2.87 118.70 121.87 1g6h s GLU 11 Ca 0.08 -1.17 -0.16 0.00 0.02 0.00 0.00 54.97 53.74 1g6h s GLU 11 Cb -0.09 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.45 1g6h s GLU 11 CO 0.02 -0.63 0.43 0.09 0.02 0.00 0.00 175.26 175.19 1g6h n ASN 12 N 4.57 -1.99 -4.71 -0.19 5.03 -1.05 -2.26 115.26 114.67 1g6h n ASN 12 Ca -0.11 -1.22 -0.42 0.00 0.87 0.00 0.00 54.58 53.70 1g6h n ASN 12 Cb 0.43 -2.06 -0.03 0.00 -1.02 0.00 0.00 39.78 37.10 1g6h n ASN 12 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1g6h s ILE 13 N -3.87 3.15 -0.05 2.41 -1.09 -0.56 -3.74 121.20 117.44 1g6h s ILE 13 Ca 0.25 0.75 0.05 0.00 -2.23 0.00 0.00 60.65 59.48 1g6h s ILE 13 Cb -0.13 -3.48 -0.01 0.00 -1.58 0.00 0.00 42.46 37.26 1g6h s ILE 13 CO 0.96 0.04 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.81 1g6h s VAL 14 N 1.59 1.72 -0.07 2.92 1.01 0.84 0.25 120.40 128.65 1g6h s VAL 14 Ca 0.68 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1g6h s VAL 14 Cb -0.38 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 34.58 1g6h s VAL 14 CO 0.30 0.49 0.16 -0.75 0.00 0.00 0.00 175.10 175.29 1g6h s LYS 15 N -0.09 0.08 0.13 2.72 2.47 -0.63 -1.25 119.74 123.17 1g6h s LYS 15 Ca -0.03 0.43 0.05 0.00 -1.56 0.00 0.00 55.97 54.86 1g6h s LYS 15 Cb -0.12 -0.20 -0.04 0.00 -1.46 0.00 0.00 37.83 36.01 1g6h s LYS 15 CO 0.03 -0.20 0.04 0.71 0.16 0.00 0.00 175.35 176.09 1g6h s TYR 16 N 1.45 3.01 -0.34 4.03 1.51 -1.26 -0.67 117.35 125.08 1g6h s TYR 16 Ca -0.06 -0.05 -0.00 0.00 -1.01 0.00 0.00 57.07 55.95 1g6h s TYR 16 Cb -0.12 -1.49 0.11 0.00 -0.11 0.00 0.00 41.96 40.36 1g6h s TYR 16 CO -0.06 0.50 0.15 -0.06 -1.11 0.00 0.00 175.55 174.98 1g6h s PHE 17 N -1.55 1.46 0.00 2.71 0.08 0.83 -4.90 117.98 116.62 1g6h s PHE 17 Ca 0.28 -1.78 0.00 0.00 0.12 0.00 0.00 56.93 55.55 1g6h s PHE 17 Cb -0.11 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 1g6h s PHE 17 CO 0.20 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 174.89 1g6h n GLY 18 N 4.47 2.84 0.90 4.36 0.00 -1.26 -1.56 105.19 114.94 1g6h n GLY 18 Ca 0.02 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.89 1g6h n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1g6h n GLU 19 N 12.73 2.24 -3.11 1.61 -0.58 -1.26 -4.89 120.64 127.38 1g6h n GLU 19 Ca 0.00 -1.81 -0.40 0.00 -0.42 0.00 0.00 57.16 54.53 1g6h n GLU 19 Cb 0.00 -1.46 -0.06 0.00 -0.57 0.00 0.00 31.44 29.35 1g6h n GLU 19 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1g6h s PHE 20 N -1.98 3.37 -0.64 -0.32 5.36 -0.60 -5.02 117.98 118.15 1g6h s PHE 20 Ca 0.30 0.94 -0.23 0.00 -0.96 0.00 0.00 56.93 56.98 1g6h s PHE 20 Cb 0.20 -2.81 0.06 0.00 -0.34 0.00 0.00 43.02 40.13 1g6h s PHE 20 CO 0.31 -0.18 0.96 0.21 -1.46 0.00 0.00 175.22 175.05 1g6h s LYS 21 N 1.94 3.15 0.13 10.12 2.20 -1.26 -0.12 119.74 135.90 1g6h s LYS 21 Ca 0.29 -0.70 -0.03 0.00 -0.36 0.00 0.00 55.97 55.16 1g6h s LYS 21 Cb -0.16 -4.19 -0.10 0.00 -1.51 0.00 0.00 37.83 31.88 1g6h s LYS 21 CO 0.10 -1.75 1.30 0.00 -0.36 0.00 0.00 175.35 174.65 1g6h h ALA 22 N 9.52 0.37 -3.37 3.13 0.00 -1.24 -3.44 119.26 124.23 1g6h h ALA 22 Ca -0.28 -0.73 -0.48 0.00 0.00 0.00 0.00 54.91 53.42 1g6h h ALA 22 Cb 1.07 -0.03 -0.35 0.00 0.00 0.00 0.00 17.79 18.49 1g6h h ALA 22 CO 1.16 0.85 -0.80 -0.51 0.00 0.00 0.00 179.25 179.95 1g6h s LEU 23 N -7.63 1.40 -0.63 0.00 1.43 -0.95 -3.63 118.68 108.67 1g6h s LEU 23 Ca -0.05 -0.24 0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1g6h s LEU 23 Cb 0.09 -0.69 0.29 0.00 0.03 0.00 0.00 46.19 45.91 1g6h s LEU 23 CO 0.86 -0.04 0.87 -0.67 0.23 0.00 0.00 176.35 177.60 1g6h n ASP 24 N 4.18 4.20 -1.18 2.29 -0.08 0.13 -1.60 116.55 124.48 1g6h n ASP 24 Ca -0.21 -3.55 0.00 0.00 -1.51 0.00 0.00 54.79 49.52 1g6h n ASP 24 Cb 0.51 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 43.32 1g6h n ASP 24 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1g6h n GLY 25 N 0.38 0.72 3.65 0.27 0.00 0.14 -4.79 105.19 105.56 1g6h n GLY 25 Ca 0.31 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1g6h n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g6h s VAL 26 N -2.88 4.99 -0.24 1.61 1.01 -0.41 -4.46 120.40 120.01 1g6h s VAL 26 Ca 0.00 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.23 1g6h s VAL 26 Cb 0.00 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.47 1g6h s VAL 26 CO 0.00 0.07 -0.09 -0.44 0.00 0.00 0.00 175.10 174.64 1g6h s SER 27 N 1.29 4.05 0.32 3.32 0.01 -1.26 -1.50 113.70 119.92 1g6h s SER 27 Ca 0.29 -1.23 0.07 0.00 1.31 0.00 0.00 55.95 56.39 1g6h s SER 27 Cb -0.16 -1.35 -0.06 0.00 0.21 0.00 0.00 66.02 64.66 1g6h s SER 27 CO 0.10 -0.20 -0.06 0.27 0.41 0.00 0.00 173.24 173.76 1g6h s ILE 28 N 1.26 1.86 -0.05 1.44 -4.36 -1.14 -4.92 121.20 115.29 1g6h s ILE 28 Ca -0.07 -2.13 -0.02 0.00 -0.26 0.00 0.00 60.65 58.17 1g6h s ILE 28 Cb -0.19 -2.60 0.04 0.00 1.25 0.00 0.00 42.46 40.96 1g6h s ILE 28 CO -0.06 -0.21 0.12 -0.55 0.24 0.00 0.00 174.94 174.47 1g6h s SER 29 N -3.53 -0.06 -0.12 4.36 0.15 -1.26 -1.18 113.70 112.05 1g6h s SER 29 Ca 0.32 0.23 0.03 0.00 0.70 0.00 0.00 55.95 57.23 1g6h s SER 29 Cb 0.04 0.12 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 1g6h s SER 29 CO 0.14 -0.14 -0.22 -0.69 1.20 0.00 0.00 173.24 173.53 1g6h s VAL 30 N 1.13 2.00 0.10 4.45 1.01 0.70 -5.00 120.40 124.79 1g6h s VAL 30 Ca -0.09 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.87 1g6h s VAL 30 Cb -0.12 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1g6h s VAL 30 CO -0.05 0.54 0.35 0.20 0.00 0.00 0.00 175.10 176.14 1g6h s ASN 31 N 0.67 6.51 0.01 3.32 0.02 -1.26 -0.63 114.94 123.58 1g6h s ASN 31 Ca -0.11 0.60 -0.36 0.00 -1.02 0.00 0.00 52.86 51.97 1g6h s ASN 31 Cb -0.16 -2.10 -0.15 0.00 0.02 0.00 0.00 41.25 38.86 1g6h s ASN 31 CO 0.02 0.12 1.55 1.17 0.02 0.00 0.00 177.10 179.98 1g6h n LYS 32 N 0.47 1.56 0.00 -0.60 4.81 -0.70 -1.13 118.16 122.56 1g6h n LYS 32 Ca -0.05 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1g6h n LYS 32 Cb 0.52 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.29 1g6h n LYS 32 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1g6h n GLY 33 N 3.33 2.64 3.74 3.14 0.00 -1.26 -4.91 105.19 111.87 1g6h n GLY 33 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1g6h n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1g6h s ASP 34 N -1.95 6.96 -0.63 1.61 1.11 -0.29 -4.78 116.67 118.70 1g6h s ASP 34 Ca 0.00 2.37 -0.22 0.00 0.18 0.00 0.00 52.55 54.88 1g6h s ASP 34 Cb 0.00 -2.61 0.07 0.00 1.07 0.00 0.00 42.92 41.44 1g6h s ASP 34 CO 0.00 -0.47 0.93 -0.69 1.18 0.00 0.00 175.17 176.12 1g6h s VAL 35 N -0.11 4.39 -0.17 -1.27 1.01 -1.26 -2.75 120.40 120.23 1g6h s VAL 35 Ca 0.54 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 1g6h s VAL 35 Cb -0.35 -4.63 -0.05 0.00 0.00 0.00 0.00 36.38 31.35 1g6h s VAL 35 CO 0.39 -1.35 0.19 -0.89 0.00 0.00 0.00 175.10 173.44 1g6h s THR 36 N 3.90 5.38 -0.06 3.92 2.01 -0.07 -1.15 115.64 129.57 1g6h s THR 36 Ca 0.23 0.33 0.06 0.00 0.31 0.00 0.00 61.69 62.61 1g6h s THR 36 Cb -0.17 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 1g6h s THR 36 CO 0.12 0.44 -0.24 -0.22 -0.69 0.00 0.00 174.62 174.03 1g6h s LEU 37 N 0.24 2.06 -0.19 4.42 2.96 0.06 -0.44 118.68 127.78 1g6h s LEU 37 Ca 0.12 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1g6h s LEU 37 Cb -0.12 -1.34 0.01 0.00 0.50 0.00 0.00 46.19 45.24 1g6h s LEU 37 CO 0.01 0.23 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.49 1g6h s ILE 38 N -0.10 2.49 0.39 6.68 1.01 0.54 -1.28 121.20 130.93 1g6h s ILE 38 Ca -0.05 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 59.87 1g6h s ILE 38 Cb -0.14 -2.07 -0.08 0.00 0.01 0.00 0.00 42.46 40.18 1g6h s ILE 38 CO 0.04 0.51 0.01 0.27 0.00 0.00 0.00 174.94 175.77 1g6h s ILE 39 N 1.25 1.87 0.00 2.92 -4.36 0.04 -1.93 121.20 121.00 1g6h s ILE 39 Ca 0.03 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.41 1g6h s ILE 39 Cb -0.14 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.64 1g6h s ILE 39 CO -0.08 -0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.69 1g6h n GLY 40 N -0.91 3.18 3.64 6.27 0.00 -0.86 -0.52 105.19 116.00 1g6h n GLY 40 Ca -0.05 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 1g6h n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1g6h s PRO 41 N -2.01 0.64 0.42 1.61 0.04 -1.26 -4.68 135.00 129.76 1g6h s PRO 41 Ca 0.00 1.31 -0.27 0.00 0.04 0.00 0.00 61.00 62.09 1g6h s PRO 41 Cb 0.00 -1.70 -0.10 0.00 0.04 0.00 0.00 34.50 32.74 1g6h s PRO 41 CO 0.00 -2.81 1.45 0.09 0.04 0.00 0.00 177.00 175.77 1g6h n ASN 42 N -4.34 3.49 0.00 6.66 5.03 -1.26 -2.46 115.26 122.38 1g6h n ASN 42 Ca 0.09 1.17 0.00 0.00 0.87 0.00 0.00 54.58 56.71 1g6h n ASN 42 Cb 0.53 -1.61 0.00 0.00 -1.02 0.00 0.00 39.78 37.68 1g6h n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1g6h n GLY 43 N 0.54 0.71 0.03 7.41 0.00 -1.26 -4.91 105.19 107.71 1g6h n GLY 43 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.20 1g6h n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1g6h n SER 44 N 0.00 0.11 0.00 1.61 3.41 -1.03 -4.69 113.62 113.02 1g6h n SER 44 Ca 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 1g6h n SER 44 Cb 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1g6h n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g6h n GLY 45 N 1.24 1.01 0.11 5.00 0.00 -1.26 -0.65 105.19 110.64 1g6h n GLY 45 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 1g6h n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g6h h LYS 46 N 3.18 -0.17 -0.53 1.61 1.57 -1.91 -0.99 116.57 119.32 1g6h h LYS 46 Ca 0.00 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1g6h h LYS 46 Cb 0.00 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1g6h h LYS 46 CO 0.00 0.01 0.14 0.77 -0.57 0.00 0.00 179.45 179.80 1g6h h SER 47 N -0.33 0.74 -0.51 0.86 0.02 -1.99 -2.11 113.55 110.24 1g6h h SER 47 Ca -0.02 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1g6h h SER 47 Cb 0.26 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1g6h h SER 47 CO 0.03 0.72 0.31 0.74 -1.14 0.00 0.00 176.83 177.49 1g6h h THR 48 N 0.78 1.15 -0.32 -2.27 2.02 -1.93 0.21 112.91 112.54 1g6h h THR 48 Ca 0.17 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1g6h h THR 48 Cb 0.27 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1g6h h THR 48 CO -0.00 0.15 0.21 0.25 0.37 0.00 0.00 175.52 176.50 1g6h h LEU 49 N 0.68 0.38 -0.92 2.58 5.85 -0.85 -0.05 115.31 122.98 1g6h h LEU 49 Ca 0.18 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 1g6h h LEU 49 Cb -0.02 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1g6h h LEU 49 CO -0.04 0.29 -0.04 0.40 -0.34 0.00 0.00 178.44 178.71 1g6h h ILE 50 N 0.43 1.24 -0.11 4.05 5.03 -1.10 -1.29 117.51 125.76 1g6h h ILE 50 Ca 0.12 -1.04 -0.09 0.00 -0.12 0.00 0.00 64.86 63.73 1g6h h ILE 50 Cb -0.03 0.96 -0.01 0.00 -3.03 0.00 0.00 36.82 34.71 1g6h h ILE 50 CO -0.02 0.36 -0.32 0.78 -0.68 0.00 0.00 178.15 178.26 1g6h h ASN 51 N 0.69 0.22 -0.08 1.72 2.35 0.02 0.33 115.58 120.84 1g6h h ASN 51 Ca 0.13 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 1g6h h ASN 51 Cb 0.49 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1g6h h ASN 51 CO 0.03 0.54 -0.24 0.58 -1.65 0.00 0.00 177.43 176.69 1g6h h VAL 52 N 0.19 1.42 -0.75 2.81 2.07 -0.68 0.30 116.25 121.61 1g6h h VAL 52 Ca 0.03 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 1g6h h VAL 52 Cb 0.67 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.66 1g6h h VAL 52 CO 0.05 0.46 0.41 0.40 0.02 0.00 0.00 177.57 178.91 1g6h h ILE 53 N -0.19 1.22 -0.61 4.57 2.04 -0.91 -3.10 117.51 120.53 1g6h h ILE 53 Ca -0.01 -0.55 -0.07 0.00 1.00 0.00 0.00 64.86 65.23 1g6h h ILE 53 Cb 0.86 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1g6h h ILE 53 CO 0.05 0.25 0.09 0.35 0.00 0.00 0.00 178.15 178.89 1g6h n THR 54 N -4.36 2.69 -1.03 -0.27 -2.24 0.08 -4.95 114.28 104.20 1g6h n THR 54 Ca 0.08 -1.40 -0.01 0.00 -2.27 0.00 0.00 64.05 60.45 1g6h n THR 54 Cb 0.10 -0.32 -0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1g6h n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g6h n GLY 55 N 0.34 0.50 0.03 3.38 0.00 -1.17 -4.01 105.19 104.26 1g6h n GLY 55 Ca 0.31 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1g6h n GLY 55 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1g6h n PHE 56 N -2.88 0.00 -3.74 1.61 3.72 0.99 -4.25 117.46 112.91 1g6h n PHE 56 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 1g6h n PHE 56 Cb 0.08 -0.07 -0.10 0.00 -0.94 0.00 0.00 39.48 38.45 1g6h n PHE 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1g6h s LEU 57 N -2.97 0.53 0.18 4.37 1.43 -0.78 -4.93 118.68 116.51 1g6h s LEU 57 Ca 0.10 0.66 -0.14 0.00 -1.03 0.00 0.00 54.13 53.72 1g6h s LEU 57 Cb 0.17 1.37 -0.07 0.00 0.03 0.00 0.00 46.19 47.68 1g6h s LEU 57 CO 0.80 -0.21 0.58 -0.54 0.23 0.00 0.00 176.35 177.21 1g6h s LYS 58 N -0.11 3.96 0.12 1.70 -0.14 -1.26 -4.09 119.74 119.92 1g6h s LYS 58 Ca -0.03 0.48 -0.26 0.00 -1.36 0.00 0.00 55.97 54.81 1g6h s LYS 58 Cb -0.03 -2.82 -0.07 0.00 -1.68 0.00 0.00 37.83 33.23 1g6h s LYS 58 CO 0.01 0.41 0.79 0.00 -0.76 0.00 0.00 175.35 175.81 1g6h s ALA 59 N -1.59 3.40 -0.04 5.17 0.00 -1.26 -4.95 121.76 122.49 1g6h s ALA 59 Ca 0.42 0.36 0.12 0.00 0.00 0.00 0.00 51.96 52.85 1g6h s ALA 59 Cb -0.14 -3.01 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 1g6h s ALA 59 CO 0.20 0.17 1.24 -0.44 0.00 0.00 0.00 175.76 176.93 1g6h h ASP 60 N 4.96 0.00 -3.67 0.00 3.32 -1.58 -3.46 116.42 115.99 1g6h h ASP 60 Ca -0.45 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.49 1g6h h ASP 60 Cb 1.21 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.51 1g6h h ASP 60 CO 0.68 0.74 -0.20 -0.70 -1.72 0.00 0.00 179.24 178.04 1g6h s GLU 61 N -2.83 0.50 0.00 3.56 2.12 -1.17 -4.98 118.70 115.90 1g6h s GLU 61 Ca 0.01 0.70 0.00 0.00 0.36 0.00 0.00 54.97 56.05 1g6h s GLU 61 Cb 0.09 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.65 1g6h s GLU 61 CO 0.79 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.82 1g6h n GLY 62 N 3.30 3.08 3.30 -1.50 0.00 -1.25 -0.12 105.19 112.00 1g6h n GLY 62 Ca -0.16 -2.02 -0.25 0.00 0.00 0.00 0.00 46.02 43.59 1g6h n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g6h s ARG 63 N -2.72 1.21 -0.09 1.61 1.81 -0.96 -4.94 118.95 114.87 1g6h s ARG 63 Ca 0.00 -1.17 0.02 0.00 -1.72 0.00 0.00 55.73 52.86 1g6h s ARG 63 Cb 0.00 -1.49 0.02 0.00 -0.45 0.00 0.00 34.95 33.02 1g6h s ARG 63 CO 0.00 0.35 -0.12 0.08 -0.68 0.00 0.00 175.30 174.93 1g6h s VAL 64 N -1.10 1.21 -0.11 3.52 1.01 -1.26 -0.07 120.40 123.59 1g6h s VAL 64 Ca 0.08 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1g6h s VAL 64 Cb -0.10 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.16 1g6h s VAL 64 CO 0.04 0.38 -0.21 -0.31 0.00 0.00 0.00 175.10 175.00 1g6h s TYR 65 N 0.95 2.39 -0.32 5.22 2.02 0.06 -1.01 117.35 126.66 1g6h s TYR 65 Ca -0.09 -1.07 -0.03 0.00 -0.37 0.00 0.00 57.07 55.51 1g6h s TYR 65 Cb -0.15 -1.63 0.05 0.00 -0.40 0.00 0.00 41.96 39.83 1g6h s TYR 65 CO 0.00 -0.47 0.04 0.12 -1.57 0.00 0.00 175.55 173.67 1g6h s PHE 66 N 0.61 3.28 -1.56 2.71 5.36 -0.47 -1.65 117.98 126.26 1g6h s PHE 66 Ca -0.13 -1.75 0.00 0.00 -0.96 0.00 0.00 56.93 54.09 1g6h s PHE 66 Cb -0.17 -2.22 0.00 0.00 -0.34 0.00 0.00 43.02 40.30 1g6h s PHE 66 CO 0.04 -0.79 0.00 0.39 -1.46 0.00 0.00 175.22 173.40 1g6h n GLU 67 N 4.68 -1.34 -0.59 10.12 1.02 0.89 -1.72 120.64 133.71 1g6h n GLU 67 Ca -0.12 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 1g6h n GLU 67 Cb 0.44 -5.31 0.00 0.00 -0.02 0.00 0.00 31.44 26.55 1g6h n GLU 67 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1g6h n ASN 68 N -1.19 0.00 -4.63 1.62 3.02 -1.26 -4.98 115.26 107.83 1g6h n ASN 68 Ca -0.20 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.94 1g6h n ASN 68 Cb 0.64 -0.45 -0.05 0.00 -0.61 0.00 0.00 39.78 39.31 1g6h n ASN 68 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1g6h s LYS 69 N -0.14 4.13 -0.47 3.52 1.02 -0.70 -4.96 119.74 122.14 1g6h s LYS 69 Ca 0.00 0.77 -0.26 0.00 0.02 0.00 0.00 55.97 56.50 1g6h s LYS 69 Cb 0.00 -3.66 -0.06 0.00 -0.52 0.00 0.00 37.83 33.59 1g6h s LYS 69 CO 0.00 -0.51 2.36 0.34 -0.92 0.00 0.00 175.35 176.62 1g6h s ASP 70 N 1.42 4.58 -0.11 2.83 -1.08 -1.26 -1.37 116.67 121.67 1g6h s ASP 70 Ca 0.32 1.11 0.18 0.00 -0.52 0.00 0.00 52.55 53.63 1g6h s ASP 70 Cb -0.15 -2.50 0.67 0.00 -1.46 0.00 0.00 42.92 39.47 1g6h s ASP 70 CO 0.08 -2.77 1.58 2.30 0.52 0.00 0.00 175.17 176.88 1g6h n ILE 71 N 7.93 1.80 -1.70 4.11 -5.35 -0.18 -4.98 119.36 120.99 1g6h n ILE 71 Ca 0.35 -1.24 -0.53 0.00 -0.27 0.00 0.00 62.75 61.05 1g6h n ILE 71 Cb 0.54 0.13 -0.06 0.00 -1.74 0.00 0.00 39.64 38.51 1g6h n ILE 71 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1g6h n THR 72 N 0.93 0.44 -2.17 7.28 -1.04 -1.04 -2.34 114.28 116.33 1g6h n THR 72 Ca 0.24 -0.08 -0.10 0.00 -2.04 0.00 0.00 64.05 62.07 1g6h n THR 72 Cb 0.85 -1.53 -0.01 0.00 -1.82 0.00 0.00 70.33 67.82 1g6h n THR 72 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1g6h n ASN 73 N 6.02 -3.43 -4.87 8.00 3.02 -1.26 -4.99 115.26 117.75 1g6h n ASN 73 Ca 0.25 -0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.43 1g6h n ASN 73 Cb 0.20 -2.67 -0.06 0.00 -0.61 0.00 0.00 39.78 36.65 1g6h n ASN 73 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1g6h s LYS 74 N -4.47 3.59 0.73 3.52 1.02 -0.99 -5.02 119.74 118.12 1g6h s LYS 74 Ca 0.00 0.02 -0.13 0.00 0.02 0.00 0.00 55.97 55.88 1g6h s LYS 74 Cb 0.00 -3.17 0.04 0.00 -0.52 0.00 0.00 37.83 34.17 1g6h s LYS 74 CO 0.00 0.73 1.11 -1.21 -0.92 0.00 0.00 175.35 175.06 1g6h s GLU 75 N -1.21 2.42 0.35 1.68 0.41 -1.26 -3.51 118.70 117.57 1g6h s GLU 75 Ca 0.20 1.32 0.12 0.00 -0.41 0.00 0.00 54.97 56.20 1g6h s GLU 75 Cb -0.13 -1.91 0.93 0.00 -1.78 0.00 0.00 34.13 31.24 1g6h s GLU 75 CO 0.09 -1.54 1.76 -1.35 -0.49 0.00 0.00 175.26 173.74 1g6h h PRO 76 N -0.61 0.54 -0.30 0.39 0.10 -1.74 0.14 132.00 130.52 1g6h h PRO 76 Ca -0.45 -0.03 -0.01 0.00 0.10 0.00 0.00 66.00 65.61 1g6h h PRO 76 Cb 1.24 -0.12 -0.02 0.00 0.10 0.00 0.00 31.00 32.21 1g6h h PRO 76 CO 0.52 0.36 0.14 0.00 0.10 0.00 0.00 178.00 179.11 1g6h h ALA 77 N 1.67 1.68 0.18 -0.75 0.00 -1.84 -0.98 119.26 119.22 1g6h h ALA 77 Ca 0.61 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 55.15 1g6h h ALA 77 Cb 1.24 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.92 1g6h h ALA 77 CO -0.38 0.26 -1.41 1.49 0.00 0.00 0.00 179.25 179.21 1g6h h GLU 78 N 0.41 0.38 0.00 0.00 4.81 -1.13 -3.31 114.58 115.75 1g6h h GLU 78 Ca 0.11 -0.66 -0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1g6h h GLU 78 Cb 0.06 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1g6h h GLU 78 CO -0.01 1.31 -0.02 -0.07 -0.73 0.00 0.00 179.01 179.49 1g6h h LEU 79 N -0.08 0.00 -1.06 1.64 3.38 -0.92 -0.84 115.31 117.43 1g6h h LEU 79 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1g6h h LEU 79 Cb 1.95 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.65 1g6h h LEU 79 CO 0.17 0.02 0.59 0.22 0.09 0.00 0.00 178.44 179.53 1g6h h TYR 80 N 0.00 1.18 0.00 1.13 3.20 -1.24 -0.75 116.97 120.48 1g6h h TYR 80 Ca -0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1g6h h TYR 80 Cb 0.03 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 37.90 1g6h h TYR 80 CO 0.00 0.76 -0.25 0.45 -1.64 0.00 0.00 178.16 177.48 1g6h h HIS 81 N 1.26 0.00 -0.00 -3.82 3.86 -1.29 -1.82 115.15 113.33 1g6h h HIS 81 Ca 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1g6h h HIS 81 Cb -0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.36 1g6h h HIS 81 CO 0.00 0.25 -0.11 0.66 0.86 0.00 0.00 177.93 179.59 1g6h n TYR 82 N -3.76 0.00 -0.21 2.45 4.02 -0.37 -4.92 117.16 114.37 1g6h n TYR 82 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1g6h n TYR 82 Cb 0.35 -0.42 0.00 0.00 -0.02 0.00 0.00 39.34 39.25 1g6h n TYR 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1g6h n GLY 83 N 1.48 0.88 3.41 2.72 0.00 -0.68 -4.86 105.19 108.13 1g6h n GLY 83 Ca 0.07 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1g6h n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g6h s ILE 84 N -2.00 3.99 0.20 -0.61 1.01 -0.69 -0.65 121.20 122.44 1g6h s ILE 84 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 60.65 60.44 1g6h s ILE 84 Cb 0.00 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1g6h s ILE 84 CO 0.00 0.38 -0.14 0.54 0.00 0.00 0.00 174.94 175.72 1g6h s VAL 85 N 1.50 1.64 0.03 2.92 0.11 -0.44 -3.59 120.40 122.57 1g6h s VAL 85 Ca 0.06 -2.19 0.06 0.00 -2.93 0.00 0.00 61.98 56.99 1g6h s VAL 85 Cb -0.15 -2.02 -0.02 0.00 -1.53 0.00 0.00 36.38 32.66 1g6h s VAL 85 CO 0.01 -0.62 -0.19 -0.60 -3.33 0.00 0.00 175.10 170.38 1g6h s ARG 86 N -3.66 1.33 0.23 1.54 3.52 -1.26 -0.60 118.95 120.03 1g6h s ARG 86 Ca 0.22 -0.84 -0.17 0.00 -0.13 0.00 0.00 55.73 54.80 1g6h s ARG 86 Cb -0.00 -1.39 -0.08 0.00 -1.56 0.00 0.00 34.95 31.92 1g6h s ARG 86 CO 0.06 0.36 0.68 0.95 -0.81 0.00 0.00 175.30 176.54 1g6h s THR 87 N -0.72 4.67 0.08 4.11 -4.23 -0.85 -4.78 115.64 113.92 1g6h s THR 87 Ca 0.06 1.09 0.07 0.00 -1.18 0.00 0.00 61.69 61.73 1g6h s THR 87 Cb -0.08 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 1g6h s THR 87 CO 0.01 0.12 -0.20 -0.36 -0.54 0.00 0.00 174.62 173.66 1g6h s PHE 88 N -1.62 1.69 0.41 3.99 0.40 -1.26 -4.80 117.98 116.79 1g6h s PHE 88 Ca 0.44 -0.41 -0.25 0.00 -0.60 0.00 0.00 56.93 56.11 1g6h s PHE 88 Cb -0.15 -0.95 -0.08 0.00 0.51 0.00 0.00 43.02 42.35 1g6h s PHE 88 CO 0.20 0.16 1.21 -1.14 0.70 0.00 0.00 175.22 176.35 1g6h s GLN 89 N -1.70 4.00 -0.16 0.44 0.74 -1.26 -4.88 119.66 116.85 1g6h s GLN 89 Ca 0.05 1.94 -0.29 0.00 0.05 0.00 0.00 55.36 57.12 1g6h s GLN 89 Cb -0.10 -2.69 -0.02 0.00 1.10 0.00 0.00 33.01 31.30 1g6h s GLN 89 CO 0.03 -0.40 1.38 0.99 -0.55 0.00 0.00 175.29 176.75 1g6h s THR 90 N -1.36 4.06 0.71 -0.34 2.01 -1.26 -4.86 115.64 114.60 1g6h s THR 90 Ca 0.57 1.27 -0.14 0.00 0.31 0.00 0.00 61.69 63.71 1g6h s THR 90 Cb -0.33 -3.87 0.03 0.00 0.01 0.00 0.00 72.50 68.34 1g6h s THR 90 CO 0.42 -0.16 1.12 -2.84 -0.69 0.00 0.00 174.62 172.47 1g6h s PRO 91 N 3.78 2.48 0.34 4.92 0.02 -1.26 -4.94 135.00 140.34 1g6h s PRO 91 Ca 0.60 1.42 0.06 0.00 0.02 0.00 0.00 61.00 63.10 1g6h s PRO 91 Cb -0.24 -1.91 0.71 0.00 0.02 0.00 0.00 34.50 33.09 1g6h s PRO 91 CO 0.20 -1.50 1.90 1.96 -0.33 0.00 0.00 177.00 179.22 1g6h h GLN 92 N -0.36 0.78 -0.16 5.54 1.08 -2.01 -2.47 115.11 117.51 1g6h h GLN 92 Ca -0.46 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 56.60 1g6h h GLN 92 Cb 1.25 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 1g6h h GLN 92 CO 0.52 0.52 -0.31 -1.35 -0.95 0.00 0.00 178.83 177.25 1g6h h PRO 93 N 0.81 0.32 0.00 1.46 0.11 -2.01 -2.39 132.00 130.29 1g6h h PRO 93 Ca 0.40 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 1g6h h PRO 93 Cb 0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 1g6h h PRO 93 CO -0.17 0.61 -0.08 -0.07 -0.21 0.00 0.00 178.00 178.08 1g6h h LEU 94 N 0.28 0.00 0.00 2.35 3.38 -1.82 0.95 115.31 120.45 1g6h h LEU 94 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1g6h h LEU 94 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1g6h h LEU 94 CO 0.05 0.08 0.00 0.29 0.09 0.00 0.00 178.44 178.95 1g6h n LYS 95 N -3.57 0.01 0.00 1.13 5.02 -0.90 -1.77 118.16 118.08 1g6h n LYS 95 Ca -0.02 0.16 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 1g6h n LYS 95 Cb 0.20 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.81 1g6h n LYS 95 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1g6h n GLU 96 N -1.50 0.01 -3.98 1.97 -0.58 0.32 -0.25 120.64 116.64 1g6h n GLU 96 Ca 0.05 -0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.57 1g6h n GLU 96 Cb 0.23 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.57 1g6h n GLU 96 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1g6h s MET 97 N -3.01 3.38 0.83 3.49 -1.94 -0.73 -4.84 119.30 116.49 1g6h s MET 97 Ca 0.10 -0.77 -0.11 0.00 -1.71 0.00 0.00 55.69 53.19 1g6h s MET 97 Cb 0.17 -2.87 0.09 0.00 2.01 0.00 0.00 34.83 34.23 1g6h s MET 97 CO 0.77 0.44 1.09 0.95 -0.01 0.00 0.00 175.02 178.26 1g6h s THR 98 N -1.96 3.02 0.23 2.05 -4.23 -1.26 -0.47 115.64 113.02 1g6h s THR 98 Ca 0.34 0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 61.12 1g6h s THR 98 Cb -0.09 -2.93 0.19 0.00 1.34 0.00 0.00 72.50 71.01 1g6h s THR 98 CO 0.28 -0.43 1.80 0.58 -0.54 0.00 0.00 174.62 176.31 1g6h h VAL 99 N -1.25 0.89 -0.67 2.29 2.07 -1.02 0.20 116.25 118.76 1g6h h VAL 99 Ca -0.47 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1g6h h VAL 99 Cb 1.26 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1g6h h VAL 99 CO 0.56 0.13 0.29 0.25 0.02 0.00 0.00 177.57 178.81 1g6h h LEU 100 N 0.70 0.91 -0.93 2.57 5.85 -1.39 -1.91 115.31 121.11 1g6h h LEU 100 Ca 0.36 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 1g6h h LEU 100 Cb 0.34 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1g6h h LEU 100 CO -0.25 0.82 0.08 -0.33 -0.34 0.00 0.00 178.44 178.42 1g6h h GLU 101 N 0.94 0.87 -0.48 1.25 5.08 -1.62 -0.30 114.58 120.32 1g6h h GLU 101 Ca 0.23 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1g6h h GLU 101 Cb 0.18 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1g6h h GLU 101 CO -0.02 0.81 0.32 -0.91 -1.00 0.00 0.00 179.01 178.21 1g6h h ASN 102 N 0.82 0.44 0.58 1.42 2.35 -0.22 -0.65 115.58 120.33 1g6h h ASN 102 Ca 0.17 -0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.63 1g6h h ASN 102 Cb 0.38 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1g6h h ASN 102 CO 0.01 0.30 -1.38 -0.07 -1.65 0.00 0.00 177.43 174.64 1g6h h LEU 103 N 0.51 0.33 -0.34 1.61 3.38 -0.71 -3.37 115.31 116.72 1g6h h LEU 103 Ca 0.20 -0.41 -0.19 0.00 0.09 0.00 0.00 57.88 57.57 1g6h h LEU 103 Cb 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1g6h h LEU 103 CO -0.05 1.34 -0.83 -0.07 0.09 0.00 0.00 178.44 178.91 1g6h h LEU 104 N 0.06 0.21 -1.16 1.67 3.38 -0.39 -3.28 115.31 115.81 1g6h h LEU 104 Ca -0.18 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1g6h h LEU 104 Cb 1.97 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1g6h h LEU 104 CO 0.17 0.95 0.00 2.30 0.09 0.00 0.00 178.44 181.95 1g6h n ILE 105 N -3.67 1.05 1.45 1.22 -5.35 -0.32 -1.60 119.36 112.14 1g6h n ILE 105 Ca -0.03 0.60 0.14 0.00 -0.27 0.00 0.00 62.75 63.19 1g6h n ILE 105 Cb 0.78 -1.58 0.74 0.00 -1.74 0.00 0.00 39.64 37.84 1g6h n ILE 105 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g6h n GLY 106 N -0.99 -1.11 0.06 3.28 0.00 -1.24 -3.13 105.19 102.07 1g6h n GLY 106 Ca -0.00 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.00 1g6h n GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1g6h n GLU 107 N -1.20 0.18 -0.05 1.61 -0.58 -0.63 -2.24 120.64 117.73 1g6h n GLU 107 Ca 0.16 0.12 -0.01 0.00 -0.42 0.00 0.00 57.16 57.00 1g6h n GLU 107 Cb 0.18 -1.68 -0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1g6h n GLU 107 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1g6h h ILE 108 N 0.00 0.00 -3.06 -3.67 2.10 -1.76 -3.40 117.51 107.72 1g6h h ILE 108 Ca 0.00 -0.89 -0.69 0.00 1.08 0.00 0.00 64.86 64.36 1g6h h ILE 108 Cb 0.66 0.00 -0.36 0.00 -1.09 0.00 0.00 36.82 36.03 1g6h h ILE 108 CO 0.00 0.00 -0.11 0.00 -1.08 0.00 0.00 178.15 176.96 1g6h s PRO 110 N -1.76 4.17 0.00 0.00 0.02 -0.95 -2.25 135.00 134.23 1g6h s PRO 110 Ca 0.30 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.75 1g6h s PRO 110 Cb -0.02 -3.74 0.00 0.00 0.02 0.00 0.00 34.50 30.76 1g6h s PRO 110 CO -0.08 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.18 1g6h n GLY 111 N 4.16 0.90 4.01 0.52 0.00 -1.26 -4.69 105.19 108.84 1g6h n GLY 111 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 1g6h n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g6h s GLU 112 N -0.04 2.85 0.55 1.61 2.02 -0.96 -4.72 118.70 120.01 1g6h s GLU 112 Ca 0.00 -1.23 -0.21 0.00 0.02 0.00 0.00 54.97 53.56 1g6h s GLU 112 Cb 0.00 -2.76 -0.06 0.00 0.10 0.00 0.00 34.13 31.42 1g6h s GLU 112 CO 0.00 -0.24 1.14 -1.13 0.02 0.00 0.00 175.26 175.05 1g6h n SER 113 N -1.83 1.66 0.05 -0.19 3.41 -1.26 -4.80 113.62 110.66 1g6h n SER 113 Ca 0.07 0.91 0.03 0.00 -0.26 0.00 0.00 58.87 59.63 1g6h n SER 113 Cb 0.59 -1.46 0.41 0.00 -0.26 0.00 0.00 64.21 63.49 1g6h n SER 113 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1g6h h PRO 114 N 1.03 0.42 -0.70 4.33 0.11 -1.93 -1.46 132.00 133.80 1g6h h PRO 114 Ca -0.49 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 1g6h h PRO 114 Cb 1.34 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1g6h h PRO 114 CO 0.54 0.36 0.31 -0.07 -0.21 0.00 0.00 178.00 178.94 1g6h h LEU 115 N 0.42 0.92 0.21 2.35 3.38 -1.93 0.99 115.31 121.64 1g6h h LEU 115 Ca 0.10 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1g6h h LEU 115 Cb 0.11 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1g6h h LEU 115 CO -0.01 0.79 -0.10 0.78 0.09 0.00 0.00 178.44 179.99 1g6h h ASN 116 N 1.00 -0.24 -0.83 -0.43 4.21 -1.63 -0.45 115.58 117.20 1g6h h ASN 116 Ca 0.24 -0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.69 1g6h h ASN 116 Cb 0.14 0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 37.36 1g6h h ASN 116 CO -0.03 -0.14 0.37 0.28 -1.29 0.00 0.00 177.43 176.63 1g6h h SER 117 N -0.33 1.12 0.66 5.81 0.02 -0.81 -2.07 113.55 117.95 1g6h h SER 117 Ca -0.03 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 1g6h h SER 117 Cb 0.25 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1g6h h SER 117 CO 0.05 0.96 -0.16 0.25 -1.14 0.00 0.00 176.83 176.78 1g6h h LEU 118 N 1.20 0.00 -1.26 5.07 5.85 0.12 -2.41 115.31 123.88 1g6h h LEU 118 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1g6h h LEU 118 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1g6h h LEU 118 CO -0.03 0.16 -0.16 0.49 -0.34 0.00 0.00 178.44 178.56 1g6h n PHE 119 N -3.47 0.00 0.33 1.25 3.72 -0.20 -4.01 117.46 115.09 1g6h n PHE 119 Ca -0.01 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.43 1g6h n PHE 119 Cb 0.33 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 38.86 1g6h n PHE 119 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1g6h n TYR 120 N 0.43 0.00 -2.39 1.38 4.02 -0.99 -5.02 117.16 114.59 1g6h n TYR 120 Ca 0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.60 1g6h n TYR 120 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.77 1g6h n TYR 120 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1g6h s LYS 121 N -0.95 4.32 -0.18 -0.72 2.36 -0.94 -4.93 119.74 118.71 1g6h s LYS 121 Ca 0.07 1.75 -0.14 0.00 -2.55 0.00 0.00 55.97 55.10 1g6h s LYS 121 Cb 0.06 -3.58 -0.07 0.00 -1.05 0.00 0.00 37.83 33.20 1g6h s LYS 121 CO 0.15 -0.50 -0.21 1.17 1.55 0.00 0.00 175.35 177.51 1g6h n LYS 122 N 5.35 0.51 -3.80 4.03 4.81 -1.26 -4.97 118.16 122.83 1g6h n LYS 122 Ca 0.12 0.39 -0.13 0.00 -0.87 0.00 0.00 58.31 57.82 1g6h n LYS 122 Cb 0.45 -1.58 -0.14 0.00 0.02 0.00 0.00 35.03 33.78 1g6h n LYS 122 CO 0.00 0.00 0.00 1.67 1.17 0.00 0.00 177.40 180.24 1g6h s TRP 123 N -2.52 -0.12 -0.02 5.64 -2.14 -1.26 -5.11 118.94 113.40 1g6h s TRP 123 Ca -0.24 0.34 -0.33 0.00 2.66 0.00 0.00 56.10 58.53 1g6h s TRP 123 Cb 0.05 -0.03 -0.11 0.00 -3.10 0.00 0.00 33.47 30.27 1g6h s TRP 123 CO 0.37 -0.10 1.86 -0.89 -2.66 0.00 0.00 176.95 175.53 1g6h n ILE 124 N 3.58 0.53 -1.73 0.66 2.08 -1.26 -4.91 119.36 118.31 1g6h n ILE 124 Ca -0.19 -0.10 -0.40 0.00 0.56 0.00 0.00 62.75 62.62 1g6h n ILE 124 Cb 0.56 -1.93 0.02 0.00 -0.75 0.00 0.00 39.64 37.53 1g6h n ILE 124 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1g6h n PRO 125 N 6.37 2.10 -2.69 0.38 -0.02 -1.26 -4.96 135.00 134.91 1g6h n PRO 125 Ca 0.21 0.75 -0.04 0.00 -2.02 0.00 0.00 63.50 62.40 1g6h n PRO 125 Cb 0.32 -2.51 0.05 0.00 -0.02 0.00 0.00 33.50 31.33 1g6h n PRO 125 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1g6h n LYS 126 N -0.08 2.00 -2.30 -0.52 4.76 -1.26 -4.91 118.16 115.85 1g6h n LYS 126 Ca 0.06 -3.59 -0.32 0.00 -2.87 0.00 0.00 58.31 51.58 1g6h n LYS 126 Cb 0.40 -1.69 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 1g6h n LYS 126 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1g6h s GLU 127 N -3.73 3.77 0.02 1.97 2.02 -1.26 -4.85 118.70 116.64 1g6h s GLU 127 Ca 0.31 1.03 -0.04 0.00 0.02 0.00 0.00 54.97 56.28 1g6h s GLU 127 Cb 0.33 -2.11 -0.01 0.00 0.10 0.00 0.00 34.13 32.44 1g6h s GLU 127 CO -0.03 -0.43 1.07 1.49 0.02 0.00 0.00 175.26 177.39 1g6h h GLU 128 N 0.79 -0.05 -0.34 1.61 4.57 -1.99 -0.85 114.58 118.33 1g6h h GLU 128 Ca -0.47 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 57.81 1g6h h GLU 128 Cb 1.20 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 1g6h h GLU 128 CO 0.60 -0.03 0.27 1.49 -1.18 0.00 0.00 179.01 180.16 1g6h h GLU 129 N -0.05 0.00 0.08 1.92 4.57 -1.98 0.41 114.58 119.54 1g6h h GLU 129 Ca 0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1g6h h GLU 129 Cb 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1g6h h GLU 129 CO -0.09 0.00 -0.04 0.52 -1.18 0.00 0.00 179.01 178.22 1g6h h MET 130 N 0.00 -0.11 -0.28 1.92 2.86 -1.78 -1.09 114.93 116.45 1g6h h MET 130 Ca 0.16 0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.69 1g6h h MET 130 Cb 0.70 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 1g6h h MET 130 CO -0.00 0.35 -0.31 0.28 1.06 0.00 0.00 176.91 178.29 1g6h h VAL 131 N -0.62 1.28 -0.55 -2.22 2.07 -0.68 -1.06 116.25 114.47 1g6h h VAL 131 Ca -0.01 -1.40 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 1g6h h VAL 131 Cb 0.51 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1g6h h VAL 131 CO 0.02 0.45 0.01 -0.33 0.02 0.00 0.00 177.57 177.73 1g6h h GLU 132 N 0.50 0.94 -0.16 1.57 5.08 -0.92 -0.58 114.58 121.01 1g6h h GLU 132 Ca 0.06 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1g6h h GLU 132 Cb 0.78 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1g6h h GLU 132 CO 0.06 0.92 0.01 -0.22 -1.00 0.00 0.00 179.01 178.79 1g6h h LYS 133 N 0.87 0.27 -0.12 2.33 3.64 -0.88 -1.46 116.57 121.22 1g6h h LYS 133 Ca 0.16 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1g6h h LYS 133 Cb 0.50 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1g6h h LYS 133 CO 0.02 0.48 -0.05 0.00 -2.27 0.00 0.00 179.45 177.63 1g6h h ALA 134 N 0.78 0.05 -0.00 5.00 0.00 -0.96 -0.42 119.26 123.72 1g6h h ALA 134 Ca 0.05 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1g6h h ALA 134 Cb 0.35 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1g6h h ALA 134 CO 0.01 -0.51 -0.32 0.74 0.00 0.00 0.00 179.25 179.17 1g6h h PHE 135 N -0.04 0.00 -0.16 0.00 0.04 -1.07 0.17 116.94 115.89 1g6h h PHE 135 Ca 0.06 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.70 1g6h h PHE 135 Cb 0.13 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1g6h h PHE 135 CO -0.18 0.32 -0.48 -0.22 -0.60 0.00 0.00 178.31 177.16 1g6h h LYS 136 N 0.00 0.40 -0.18 1.51 3.64 -0.61 -0.52 116.57 120.82 1g6h h LYS 136 Ca -0.00 -0.22 -0.20 0.00 -1.27 0.00 0.00 60.65 58.96 1g6h h LYS 136 Cb 0.57 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1g6h h LYS 136 CO 0.04 0.79 -0.66 0.82 -2.27 0.00 0.00 179.45 178.18 1g6h h ILE 137 N 0.32 1.29 -0.22 2.00 2.04 -0.38 -2.42 117.51 120.13 1g6h h ILE 137 Ca 0.02 -1.87 -0.05 0.00 1.00 0.00 0.00 64.86 63.97 1g6h h ILE 137 Cb 0.96 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 1g6h h ILE 137 CO 0.08 0.59 -0.06 -0.07 0.00 0.00 0.00 178.15 178.69 1g6h h LEU 138 N 0.50 0.32 -0.36 1.44 3.38 -0.35 -1.64 115.31 118.61 1g6h h LEU 138 Ca -0.03 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1g6h h LEU 138 Cb 1.29 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1g6h h LEU 138 CO 0.14 0.44 -0.07 -0.08 0.09 0.00 0.00 178.44 178.96 1g6h h GLU 139 N 0.33 0.68 -0.54 1.13 4.81 -1.00 0.15 114.58 120.14 1g6h h GLU 139 Ca 0.07 -0.25 0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1g6h h GLU 139 Cb 0.33 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 1g6h h GLU 139 CO 0.01 0.83 0.20 0.35 -0.73 0.00 0.00 179.01 179.68 1g6h h PHE 140 N 0.48 0.36 -0.00 0.92 3.57 -0.86 0.68 116.94 122.08 1g6h h PHE 140 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1g6h h PHE 140 Cb 0.56 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1g6h h PHE 140 CO 0.05 0.12 -0.03 1.28 -2.23 0.00 0.00 178.31 177.50 1g6h n LEU 141 N -4.99 0.22 -3.17 0.59 4.77 -0.69 -4.91 117.00 108.82 1g6h n LEU 141 Ca 0.06 0.06 -0.23 0.00 -0.03 0.00 0.00 56.01 55.87 1g6h n LEU 141 Cb 0.22 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1g6h n LEU 141 CO 0.24 0.04 0.06 0.29 -1.33 0.00 0.00 177.39 176.69 1g6h n LYS 142 N -1.00 -5.62 -0.13 3.23 5.02 0.23 -4.90 118.16 114.99 1g6h n LYS 142 Ca 0.18 0.89 0.04 0.00 -2.02 0.00 0.00 58.31 57.40 1g6h n LYS 142 Cb 0.21 -5.80 0.11 0.00 -0.02 0.00 0.00 35.03 29.53 1g6h n LYS 142 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1g6h n LEU 143 N -4.27 2.64 -0.27 -0.35 4.77 0.34 -4.80 117.00 115.06 1g6h n LEU 143 Ca -0.08 -2.27 0.08 0.00 -0.03 0.00 0.00 56.01 53.71 1g6h n LEU 143 Cb 0.61 -0.21 0.23 0.00 -2.33 0.00 0.00 43.42 41.71 1g6h n LEU 143 CO 0.52 0.64 0.98 0.28 -1.33 0.00 0.00 177.39 178.47 1g6h h SER 144 N 0.99 0.14 0.41 -1.43 0.02 -1.86 0.72 113.55 112.54 1g6h h SER 144 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1g6h h SER 144 Cb 0.78 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1g6h h SER 144 CO 0.03 -0.02 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 1g6h n HIS 145 N -5.11 0.02 0.36 3.45 1.44 -1.26 -1.64 115.22 112.49 1g6h n HIS 145 Ca 0.17 0.01 0.11 0.00 -2.01 0.00 0.00 57.72 56.01 1g6h n HIS 145 Cb 0.53 -0.52 0.25 0.00 0.12 0.00 0.00 29.99 30.38 1g6h n HIS 145 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1g6h n LEU 146 N -1.52 3.21 -0.36 2.39 4.77 0.24 -4.64 117.00 121.09 1g6h n LEU 146 Ca 0.03 -1.43 0.28 0.00 -0.03 0.00 0.00 56.01 54.85 1g6h n LEU 146 Cb 0.14 -0.27 0.56 0.00 -2.33 0.00 0.00 43.42 41.52 1g6h n LEU 146 CO 0.11 0.72 1.22 0.10 -1.33 0.00 0.00 177.39 178.21 1g6h h TYR 147 N 4.01 0.60 -0.01 -1.77 -0.00 -1.34 -0.70 116.97 117.76 1g6h h TYR 147 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.75 1g6h h TYR 147 Cb 0.89 -0.17 0.00 0.00 0.00 0.00 0.00 36.73 37.45 1g6h h TYR 147 CO 0.27 -0.03 -0.67 -0.25 -0.00 0.00 0.00 178.16 177.47 1g6h n ASP 148 N -4.65 1.58 -4.77 0.10 8.00 -1.26 -1.11 116.55 114.44 1g6h n ASP 148 Ca 0.29 -1.27 -0.41 0.00 0.71 0.00 0.00 54.79 54.11 1g6h n ASP 148 Cb 1.07 0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 42.81 1g6h n ASP 148 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1g6h s ARG 149 N -2.69 4.35 0.25 -1.24 6.06 -0.27 -4.67 118.95 120.74 1g6h s ARG 149 Ca 0.14 2.23 -0.30 0.00 -2.50 0.00 0.00 55.73 55.30 1g6h s ARG 149 Cb 0.17 -3.07 -0.10 0.00 0.06 0.00 0.00 34.95 32.01 1g6h s ARG 149 CO 0.69 -0.20 1.42 0.15 -2.50 0.00 0.00 175.30 174.86 1g6h s LYS 150 N -1.74 4.28 0.47 5.12 1.02 -1.26 -1.12 119.74 126.50 1g6h s LYS 150 Ca 0.49 2.28 0.19 0.00 0.02 0.00 0.00 55.97 58.96 1g6h s LYS 150 Cb -0.40 -3.11 1.18 0.00 -0.52 0.00 0.00 37.83 34.98 1g6h s LYS 150 CO 0.53 -0.40 1.95 0.00 -0.92 0.00 0.00 175.35 176.52 1g6h h ALA 151 N 4.94 2.26 0.00 5.17 0.00 -0.72 -0.93 119.26 129.97 1g6h h ALA 151 Ca -0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1g6h h ALA 151 Cb 1.22 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1g6h h ALA 151 CO 0.77 -0.44 -0.09 0.78 0.00 0.00 0.00 179.25 180.27 1g6h h GLY 152 N 0.25 0.00 -0.25 0.00 0.00 -0.88 -2.43 103.07 99.77 1g6h h GLY 152 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1g6h h GLY 152 CO -0.07 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.65 1g6h n GLU 153 N -3.52 1.54 -2.02 4.80 1.02 -0.36 -4.89 120.64 117.22 1g6h n GLU 153 Ca -0.02 -0.80 -0.30 0.00 -0.02 0.00 0.00 57.16 56.03 1g6h n GLU 153 Cb 0.23 -1.46 0.02 0.00 -0.02 0.00 0.00 31.44 30.21 1g6h n GLU 153 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1g6h s LEU 154 N -1.92 3.17 0.73 -4.62 1.43 -0.92 -5.03 118.68 111.52 1g6h s LEU 154 Ca 0.38 1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 54.56 1g6h s LEU 154 Cb 0.20 -4.11 0.03 0.00 0.03 0.00 0.00 46.19 42.34 1g6h s LEU 154 CO 0.33 -1.02 1.07 -0.94 0.23 0.00 0.00 176.35 176.02 1g6h s SER 155 N -4.25 5.11 0.27 2.29 1.04 -1.26 -4.82 113.70 112.09 1g6h s SER 155 Ca 0.55 1.45 -0.01 0.00 0.48 0.00 0.00 55.95 58.43 1g6h s SER 155 Cb -0.11 -2.28 0.52 0.00 0.10 0.00 0.00 66.02 64.25 1g6h s SER 155 CO 0.51 -1.59 1.80 1.23 0.98 0.00 0.00 173.24 176.17 1g6h h GLY 156 N -0.82 1.49 1.60 7.32 0.00 -1.97 -0.60 103.07 110.08 1g6h h GLY 156 Ca -0.45 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.45 1g6h h GLY 156 CO 0.59 0.08 -0.17 -1.33 0.00 0.00 0.00 176.54 175.70 1g6h h GLY 157 N 0.82 0.52 1.58 4.60 0.00 -2.00 -1.80 103.07 106.80 1g6h h GLY 157 Ca 0.47 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 47.25 1g6h h GLY 157 CO -0.29 0.35 -0.63 1.46 0.00 0.00 0.00 176.54 177.42 1g6h h GLN 158 N 0.44 0.43 -0.61 4.80 4.20 -1.67 -2.47 115.11 120.22 1g6h h GLN 158 Ca 0.08 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.42 1g6h h GLN 158 Cb 0.56 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 1g6h h GLN 158 CO 0.04 0.92 0.14 1.98 -0.67 0.00 0.00 178.83 181.24 1g6h h MET 159 N 0.31 0.96 -0.45 1.46 4.05 -0.79 -1.53 114.93 118.95 1g6h h MET 159 Ca -0.01 -0.21 -0.08 0.00 -0.28 0.00 0.00 59.70 59.11 1g6h h MET 159 Cb 1.18 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.83 1g6h h MET 159 CO 0.11 0.86 -0.06 0.87 0.23 0.00 0.00 176.91 178.92 1g6h h LYS 160 N 0.91 0.77 -0.38 0.39 1.57 -1.09 -0.91 116.57 117.83 1g6h h LYS 160 Ca 0.19 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1g6h h LYS 160 Cb 0.34 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1g6h h LYS 160 CO 0.00 0.82 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.40 1g6h h LEU 161 N 0.71 0.77 -1.28 2.94 3.38 -1.12 -2.16 115.31 118.55 1g6h h LEU 161 Ca 0.13 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1g6h h LEU 161 Cb 0.52 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1g6h h LEU 161 CO 0.03 0.98 -0.19 0.58 0.09 0.00 0.00 178.44 179.92 1g6h h VAL 162 N 0.66 1.21 -0.41 1.22 2.07 -0.52 0.17 116.25 120.65 1g6h h VAL 162 Ca 0.09 -0.97 -0.13 0.00 0.82 0.00 0.00 66.70 66.51 1g6h h VAL 162 Cb 0.73 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1g6h h VAL 162 CO 0.06 0.30 -0.27 -0.33 0.02 0.00 0.00 177.57 177.34 1g6h h GLU 163 N 0.23 0.87 -0.29 1.57 5.08 -0.68 -0.87 114.58 120.49 1g6h h GLU 163 Ca 0.04 -0.39 -0.13 0.00 -1.00 0.00 0.00 59.36 57.88 1g6h h GLU 163 Cb 0.48 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1g6h h GLU 163 CO 0.03 1.03 -0.35 0.82 -1.00 0.00 0.00 179.01 179.54 1g6h h ILE 164 N 0.74 1.29 -0.90 3.13 2.04 -0.78 -2.61 117.51 120.42 1g6h h ILE 164 Ca 0.09 -1.49 0.04 0.00 1.00 0.00 0.00 64.86 64.50 1g6h h ILE 164 Cb 0.83 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 38.30 1g6h h ILE 164 CO 0.07 0.48 0.59 1.23 0.00 0.00 0.00 178.15 180.52 1g6h h GLY 165 N 1.00 1.29 0.92 5.37 0.00 0.05 -0.93 103.07 110.77 1g6h h GLY 165 Ca 0.06 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1g6h h GLY 165 CO 0.07 0.36 0.12 3.21 0.00 0.00 0.00 176.54 180.31 1g6h h ARG 166 N 1.10 0.53 -0.99 4.80 3.08 -0.82 -2.40 114.38 119.68 1g6h h ARG 166 Ca 0.36 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.35 1g6h h ARG 166 Cb 0.06 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 29.97 1g6h h ARG 166 CO -0.12 0.55 0.65 0.00 -1.07 0.00 0.00 179.97 179.98 1g6h h ALA 167 N 0.96 1.36 0.00 0.04 0.00 -1.09 -1.95 119.26 118.58 1g6h h ALA 167 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1g6h h ALA 167 Cb 0.23 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1g6h h ALA 167 CO -0.01 0.53 -0.16 -0.07 0.00 0.00 0.00 179.25 179.55 1g6h h LEU 168 N 1.24 0.00 -1.38 0.00 3.38 -0.83 -2.88 115.31 114.84 1g6h h LEU 168 Ca 0.40 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.47 1g6h h LEU 168 Cb 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1g6h h LEU 168 CO -0.13 0.16 0.51 0.24 0.09 0.00 0.00 178.44 179.31 1g6h h MET 169 N 0.00 0.67 0.00 1.13 2.86 -0.86 -0.37 114.93 118.37 1g6h h MET 169 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1g6h h MET 169 Cb 0.40 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1g6h h MET 169 CO 0.02 0.45 0.00 0.25 1.06 0.00 0.00 176.91 178.69 1g6h n THR 170 N -4.50 0.00 -3.75 2.22 -2.24 -1.09 -4.89 114.28 100.02 1g6h n THR 170 Ca 0.13 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.62 1g6h n THR 170 Cb 0.33 -0.19 0.02 0.00 -2.10 0.00 0.00 70.33 68.39 1g6h n THR 170 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1g6h n ASN 171 N -0.61 -5.14 -4.88 3.42 4.05 -0.15 -4.92 115.26 107.04 1g6h n ASN 171 Ca 0.04 -0.96 -0.30 0.00 0.45 0.00 0.00 54.58 53.81 1g6h n ASN 171 Cb 0.02 -2.50 -0.00 0.00 1.23 0.00 0.00 39.78 38.52 1g6h n ASN 171 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1g6h s PRO 172 N -5.61 3.63 -0.20 1.20 0.04 -1.26 -4.92 135.00 127.87 1g6h s PRO 172 Ca 0.24 0.57 0.11 0.00 0.04 0.00 0.00 61.00 61.97 1g6h s PRO 172 Cb -0.11 -2.20 -0.22 0.00 0.04 0.00 0.00 34.50 32.00 1g6h s PRO 172 CO 0.89 -0.38 0.03 1.63 0.04 0.00 0.00 177.00 179.21 1g6h n LYS 173 N -2.36 0.68 -4.05 4.56 5.02 0.18 -4.86 118.16 117.32 1g6h n LYS 173 Ca 0.04 0.08 -0.19 0.00 -2.02 0.00 0.00 58.31 56.22 1g6h n LYS 173 Cb 0.54 -1.55 -0.16 0.00 -0.02 0.00 0.00 35.03 33.84 1g6h n LYS 173 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1g6h s MET 174 N -2.51 0.60 -0.15 1.97 0.00 -0.45 -0.82 119.30 117.95 1g6h s MET 174 Ca -0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 55.69 55.47 1g6h s MET 174 Cb 0.07 -0.70 -0.02 0.00 0.00 0.00 0.00 34.83 34.18 1g6h s MET 174 CO 0.75 -0.12 -0.10 0.42 0.00 0.00 0.00 175.02 175.98 1g6h s ILE 175 N 1.02 3.31 -0.19 10.11 1.01 0.22 -1.33 121.20 135.35 1g6h s ILE 175 Ca -0.10 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 1g6h s ILE 175 Cb -0.14 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 1g6h s ILE 175 CO -0.01 0.51 -0.01 -0.69 0.00 0.00 0.00 174.94 174.73 1g6h s VAL 176 N 0.46 3.87 -0.11 2.92 1.01 0.23 -1.95 120.40 126.82 1g6h s VAL 176 Ca -0.07 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1g6h s VAL 176 Cb -0.15 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1g6h s VAL 176 CO 0.04 0.44 -0.11 -0.04 0.00 0.00 0.00 175.10 175.43 1g6h s MET 177 N 0.91 1.84 -0.53 2.72 -1.94 -0.18 -2.00 119.30 120.13 1g6h s MET 177 Ca 0.01 -0.40 -0.16 0.00 -1.71 0.00 0.00 55.69 53.42 1g6h s MET 177 Cb -0.14 -1.73 0.11 0.00 2.01 0.00 0.00 34.83 35.08 1g6h s MET 177 CO 0.02 -0.18 0.50 0.34 -0.01 0.00 0.00 175.02 175.69 1g6h s ASP 178 N 1.37 6.18 -1.18 3.03 -1.08 -1.26 -0.73 116.67 123.00 1g6h s ASP 178 Ca -0.00 -1.60 -0.01 0.00 -0.52 0.00 0.00 52.55 50.41 1g6h s ASP 178 Cb -0.13 -2.22 -0.01 0.00 -1.46 0.00 0.00 42.92 39.09 1g6h s ASP 178 CO -0.06 -0.84 0.96 -0.62 0.52 0.00 0.00 175.17 175.13 1g6h n GLU 179 N 5.39 -5.57 0.25 4.34 1.02 0.19 -4.93 120.64 121.34 1g6h n GLU 179 Ca -0.13 0.83 0.10 0.00 -0.02 0.00 0.00 57.16 57.94 1g6h n GLU 179 Cb 0.41 -5.78 0.67 0.00 -0.02 0.00 0.00 31.44 26.72 1g6h n GLU 179 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1g6h h PRO 180 N -1.74 0.00 -0.25 3.49 0.13 -1.80 -2.88 132.00 128.95 1g6h h PRO 180 Ca -0.60 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.52 1g6h h PRO 180 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1g6h h PRO 180 CO 0.49 0.10 -0.00 0.44 -0.23 0.00 0.00 178.00 178.81 1g6h n ILE 181 N -4.08 2.29 -1.85 -3.56 -5.35 -1.26 -4.99 119.36 100.56 1g6h n ILE 181 Ca -0.02 -1.96 -0.42 0.00 -0.27 0.00 0.00 62.75 60.08 1g6h n ILE 181 Cb 0.19 -0.26 -0.03 0.00 -1.74 0.00 0.00 39.64 37.80 1g6h n ILE 181 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1g6h s ALA 182 N -2.86 3.69 0.00 -1.28 0.00 -1.09 -2.44 121.76 117.77 1g6h s ALA 182 Ca 0.42 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1g6h s ALA 182 Cb 0.34 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1g6h s ALA 182 CO 0.08 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1g6h n GLY 183 N 4.12 0.57 3.91 0.00 0.00 -1.26 -5.02 105.19 107.52 1g6h n GLY 183 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1g6h n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1g6h s VAL 184 N -2.45 4.94 0.62 1.61 -7.23 -1.02 -5.07 120.40 111.79 1g6h s VAL 184 Ca 0.00 0.10 -0.12 0.00 -1.81 0.00 0.00 61.98 60.15 1g6h s VAL 184 Cb 0.00 -3.86 -0.03 0.00 0.56 0.00 0.00 36.38 33.05 1g6h s VAL 184 CO 0.00 -0.77 1.03 0.00 -0.31 0.00 0.00 175.10 175.05 1g6h s ALA 185 N -2.64 2.97 0.30 1.32 0.00 -1.26 -4.83 121.76 117.62 1g6h s ALA 185 Ca 0.46 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.49 1g6h s ALA 185 Cb -0.10 -3.12 0.74 0.00 0.00 0.00 0.00 23.12 20.64 1g6h s ALA 185 CO 0.42 -0.76 1.73 -1.35 0.00 0.00 0.00 175.76 175.80 1g6h h PRO 186 N -0.19 0.53 -0.60 0.00 0.11 -1.99 -2.02 132.00 127.85 1g6h h PRO 186 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1g6h h PRO 186 Cb 1.20 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1g6h h PRO 186 CO 0.60 0.35 0.39 0.78 -0.21 0.00 0.00 178.00 179.91 1g6h h GLY 187 N 0.55 0.84 1.13 -0.55 0.00 -1.99 -1.19 103.07 101.85 1g6h h GLY 187 Ca 0.57 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 47.46 1g6h h GLY 187 CO -0.46 0.31 -0.15 -2.00 0.00 0.00 0.00 176.54 174.24 1g6h h LEU 188 N 0.81 1.02 -0.78 3.11 5.85 -1.77 -0.26 115.31 123.28 1g6h h LEU 188 Ca 0.22 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1g6h h LEU 188 Cb -0.08 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.63 1g6h h LEU 188 CO -0.05 1.15 0.50 0.00 -0.34 0.00 0.00 178.44 179.71 1g6h h ALA 189 N 0.93 1.01 -0.36 1.25 0.00 -1.08 0.95 119.26 121.96 1g6h h ALA 189 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1g6h h ALA 189 Cb 0.72 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1g6h h ALA 189 CO 0.06 0.34 -0.00 0.45 0.00 0.00 0.00 179.25 180.09 1g6h h HIS 190 N 1.00 0.69 -0.22 0.00 3.86 -0.97 -1.81 115.15 117.70 1g6h h HIS 190 Ca 0.30 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 59.43 1g6h h HIS 190 Cb -0.03 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 1g6h h HIS 190 CO -0.03 0.74 0.01 0.22 0.86 0.00 0.00 177.93 179.73 1g6h h ASP 191 N 0.45 -0.06 -0.49 2.45 3.58 -0.16 0.46 116.42 122.65 1g6h h ASP 191 Ca 0.10 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.55 1g6h h ASP 191 Cb 0.47 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 1g6h h ASP 191 CO 0.02 -0.00 0.14 0.40 -2.88 0.00 0.00 179.24 176.92 1g6h h ILE 192 N 0.08 1.23 0.00 2.25 2.04 -0.79 -2.61 117.51 119.71 1g6h h ILE 192 Ca 0.10 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 1g6h h ILE 192 Cb 0.12 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1g6h h ILE 192 CO -0.17 0.29 -0.19 -0.26 0.00 0.00 0.00 178.15 177.82 1g6h h PHE 193 N 0.66 0.00 -0.35 1.37 -1.00 -0.98 -1.52 116.94 115.12 1g6h h PHE 193 Ca 0.16 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.82 1g6h h PHE 193 Cb 0.29 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 1g6h h PHE 193 CO 0.02 0.19 -0.23 -0.91 -1.61 0.00 0.00 178.31 175.77 1g6h h ASN 194 N 0.00 0.80 -0.09 2.17 2.35 0.24 -0.89 115.58 120.17 1g6h h ASN 194 Ca -0.00 -0.43 -0.08 0.00 -0.55 0.00 0.00 56.30 55.24 1g6h h ASN 194 Cb 0.74 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1g6h h ASN 194 CO 0.02 1.06 -0.17 0.45 -1.65 0.00 0.00 177.43 177.15 1g6h h HIS 195 N 0.55 0.50 -0.52 1.19 3.86 -1.11 -1.41 115.15 118.20 1g6h h HIS 195 Ca 0.07 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 1g6h h HIS 195 Cb 0.79 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 1g6h h HIS 195 CO 0.06 0.61 0.19 0.28 0.86 0.00 0.00 177.93 179.93 1g6h h VAL 196 N 0.42 1.22 -0.77 2.45 2.07 -0.86 -0.42 116.25 120.36 1g6h h VAL 196 Ca 0.07 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1g6h h VAL 196 Cb 0.54 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1g6h h VAL 196 CO 0.03 0.27 0.35 -0.07 0.02 0.00 0.00 177.57 178.18 1g6h h LEU 197 N 0.70 1.03 -0.90 2.57 3.38 -0.70 0.96 115.31 122.35 1g6h h LEU 197 Ca 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1g6h h LEU 197 Cb 0.23 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1g6h h LEU 197 CO -0.01 0.89 0.50 -0.33 0.09 0.00 0.00 178.44 179.58 1g6h h GLU 198 N 1.10 1.24 -0.07 1.13 5.08 -0.77 -1.59 114.58 120.70 1g6h h GLU 198 Ca 0.26 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 1g6h h GLU 198 Cb 0.15 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1g6h h GLU 198 CO -0.03 0.90 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.29 1g6h h LEU 199 N 1.25 0.21 -1.01 1.33 3.38 -0.37 -2.62 115.31 117.48 1g6h h LEU 199 Ca 0.32 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1g6h h LEU 199 Cb 0.01 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1g6h h LEU 199 CO -0.05 0.69 0.32 0.50 0.09 0.00 0.00 178.44 179.99 1g6h h LYS 200 N 0.15 1.03 0.00 1.13 3.64 0.08 -1.20 116.57 121.40 1g6h h LYS 200 Ca 0.00 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1g6h h LYS 200 Cb 0.97 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1g6h h LYS 200 CO 0.08 0.81 -0.01 0.00 -2.27 0.00 0.00 179.45 178.06 1g6h h ALA 201 N 1.33 1.29 -0.37 5.00 0.00 -0.94 0.51 119.26 126.08 1g6h h ALA 201 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1g6h h ALA 201 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1g6h h ALA 201 CO -0.03 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.86 1g6h n LYS 202 N -3.51 2.00 -0.44 0.00 5.02 -0.49 -4.91 118.16 115.83 1g6h n LYS 202 Ca -0.03 -1.54 0.00 0.00 -2.02 0.00 0.00 58.31 54.73 1g6h n LYS 202 Cb 0.10 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1g6h n LYS 202 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1g6h n GLY 203 N 1.21 0.72 3.74 0.72 0.00 0.17 -5.06 105.19 106.70 1g6h n GLY 203 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1g6h n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g6h s ILE 204 N -2.83 3.91 -0.06 -0.61 1.01 -0.99 -4.28 121.20 117.35 1g6h s ILE 204 Ca 0.00 1.66 -0.07 0.00 0.00 0.00 0.00 60.65 62.24 1g6h s ILE 204 Cb 0.00 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1g6h s ILE 204 CO 0.00 0.29 0.21 -0.89 0.00 0.00 0.00 174.94 174.54 1g6h s THR 205 N -0.27 5.40 -0.06 2.92 2.01 -0.00 -4.16 115.64 121.48 1g6h s THR 205 Ca 0.49 0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.73 1g6h s THR 205 Cb -0.29 -3.50 -0.00 0.00 0.01 0.00 0.00 72.50 68.72 1g6h s THR 205 CO 0.35 0.50 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.23 1g6h s PHE 206 N -1.15 1.96 -0.22 4.92 0.08 -1.11 -0.61 117.98 121.84 1g6h s PHE 206 Ca 0.21 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 56.64 1g6h s PHE 206 Cb -0.13 -1.32 0.05 0.00 -0.57 0.00 0.00 43.02 41.05 1g6h s PHE 206 CO 0.11 -0.24 -0.09 -1.17 -0.10 0.00 0.00 175.22 173.73 1g6h s LEU 207 N 0.15 2.60 0.09 -0.37 2.96 -0.82 -0.89 118.68 122.39 1g6h s LEU 207 Ca -0.08 -1.07 0.08 0.00 -0.22 0.00 0.00 54.13 52.84 1g6h s LEU 207 Cb -0.14 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 1g6h s LEU 207 CO 0.04 -0.18 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.05 1g6h s ILE 208 N 1.33 1.70 -0.05 6.68 1.01 0.41 -1.01 121.20 131.28 1g6h s ILE 208 Ca -0.04 -1.45 0.06 0.00 0.00 0.00 0.00 60.65 59.22 1g6h s ILE 208 Cb -0.18 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.75 1g6h s ILE 208 CO -0.07 0.01 -0.23 -0.63 0.00 0.00 0.00 174.94 174.02 1g6h s ILE 209 N -1.06 2.27 0.03 2.92 1.01 0.09 -0.34 121.20 126.12 1g6h s ILE 209 Ca 0.07 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 1g6h s ILE 209 Cb -0.10 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 1g6h s ILE 209 CO 0.04 0.58 0.11 -1.61 0.00 0.00 0.00 174.94 174.05 1g6h s GLU 210 N -0.40 0.57 0.05 2.79 0.41 -0.81 0.57 118.70 121.88 1g6h s GLU 210 Ca 0.04 -0.66 -0.25 0.00 -0.41 0.00 0.00 54.97 53.68 1g6h s GLU 210 Cb -0.12 0.23 -0.17 0.00 -1.78 0.00 0.00 34.13 32.29 1g6h s GLU 210 CO 0.01 -0.14 1.54 1.25 -0.49 0.00 0.00 175.26 177.43 1g6h h HIS 211 N 3.79 -0.20 -3.47 1.61 -0.00 -1.86 -3.33 115.15 111.70 1g6h h HIS 211 Ca -0.32 -0.00 -0.55 0.00 -0.00 0.00 0.00 60.37 59.50 1g6h h HIS 211 Cb 1.19 0.06 -0.13 0.00 -0.00 0.00 0.00 27.41 28.53 1g6h h HIS 211 CO 0.55 0.00 -0.49 1.03 -0.00 0.00 0.00 177.93 179.03 1g6h s ARG 212 N -5.52 1.92 -0.05 5.26 0.52 -1.26 -2.02 118.95 117.80 1g6h s ARG 212 Ca -0.14 -2.17 0.01 0.00 -0.52 0.00 0.00 55.73 52.90 1g6h s ARG 212 Cb 0.04 -0.23 0.02 0.00 0.52 0.00 0.00 34.95 35.30 1g6h s ARG 212 CO 0.64 -0.59 -0.04 -1.17 0.02 0.00 0.00 175.30 174.16 1g6h s LEU 213 N -3.54 1.19 0.00 2.53 2.96 -1.26 -4.99 118.68 115.57 1g6h s LEU 213 Ca 0.29 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 1g6h s LEU 213 Cb 0.02 -0.49 0.00 0.00 0.50 0.00 0.00 46.19 46.21 1g6h s LEU 213 CO 0.20 -0.08 0.00 -0.67 -1.32 0.00 0.00 176.35 174.48 1g6h n ASP 214 N 4.30 0.00 -0.23 3.68 -0.08 -1.26 -4.93 116.55 118.04 1g6h n ASP 214 Ca -0.20 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.11 1g6h n ASP 214 Cb 0.51 0.00 0.14 0.00 2.34 0.00 0.00 41.12 44.11 1g6h n ASP 214 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1g6h h ILE 215 N 0.00 0.46 -0.46 5.18 1.08 -1.99 -2.29 117.51 119.50 1g6h h ILE 215 Ca 0.00 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1g6h h ILE 215 Cb 0.00 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.02 1g6h h ILE 215 CO 0.00 0.03 0.03 1.33 -0.69 0.00 0.00 178.15 178.85 1g6h n VAL 216 N -5.26 2.14 -0.26 1.67 0.24 -1.26 -4.59 118.33 111.02 1g6h n VAL 216 Ca 0.12 -1.09 0.06 0.00 -2.04 0.00 0.00 64.34 61.39 1g6h n VAL 216 Cb 0.42 -0.35 0.18 0.00 -1.47 0.00 0.00 33.84 32.62 1g6h n VAL 216 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1g6h h LEU 217 N 2.94 -0.21 0.00 1.34 5.85 -1.77 -0.58 115.31 122.88 1g6h h LEU 217 Ca 0.03 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1g6h h LEU 217 Cb 1.68 0.30 0.00 0.00 0.37 0.00 0.00 40.66 43.00 1g6h h LEU 217 CO 0.40 -0.14 0.00 0.59 -0.34 0.00 0.00 178.44 178.95 1g6h n ASN 218 N -5.28 0.00 0.00 1.25 3.02 -1.26 -2.62 115.26 110.37 1g6h n ASN 218 Ca 0.14 -1.13 0.10 0.00 -0.03 0.00 0.00 54.58 53.67 1g6h n ASN 218 Cb 0.49 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.56 1g6h n ASN 218 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1g6h n TYR 219 N -0.87 0.02 -3.19 3.10 4.02 -0.23 -4.95 117.16 115.07 1g6h n TYR 219 Ca 0.16 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.66 1g6h n TYR 219 Cb 0.07 -0.12 -0.06 0.00 -0.02 0.00 0.00 39.34 39.21 1g6h n TYR 219 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1g6h s ILE 220 N -3.09 5.06 -0.04 -0.72 -1.09 -1.08 -4.75 121.20 115.50 1g6h s ILE 220 Ca 0.06 1.05 -0.06 0.00 -2.23 0.00 0.00 60.65 59.47 1g6h s ILE 220 Cb 0.16 -3.89 -0.28 0.00 -1.58 0.00 0.00 42.46 36.87 1g6h s ILE 220 CO 0.86 0.14 0.70 0.44 -1.23 0.00 0.00 174.94 175.85 1g6h h ASP 221 N 7.52 0.46 -3.41 3.58 3.32 -1.47 -3.43 116.42 122.99 1g6h h ASP 221 Ca -0.32 -0.72 -0.28 0.00 0.02 0.00 0.00 57.03 55.72 1g6h h ASP 221 Cb 1.15 -0.15 -0.34 0.00 0.22 0.00 0.00 39.33 40.21 1g6h h ASP 221 CO 0.75 1.62 -0.66 -2.28 -1.72 0.00 0.00 179.24 176.95 1g6h s HIS 222 N -2.59 -0.08 -0.01 4.55 2.46 -1.00 -2.19 115.29 116.43 1g6h s HIS 222 Ca -0.13 0.35 0.07 0.00 0.47 0.00 0.00 55.06 55.82 1g6h s HIS 222 Cb 0.06 -0.20 -0.02 0.00 -0.13 0.00 0.00 32.58 32.29 1g6h s HIS 222 CO 0.84 -0.15 -0.24 -1.17 -2.47 0.00 0.00 174.74 171.55 1g6h s LEU 223 N 1.37 2.21 -0.02 8.88 2.96 0.44 -0.76 118.68 133.76 1g6h s LEU 223 Ca -0.06 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 1g6h s LEU 223 Cb -0.12 -1.38 -0.00 0.00 0.50 0.00 0.00 46.19 45.19 1g6h s LEU 223 CO -0.05 0.31 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.88 1g6h s TYR 224 N -0.68 1.01 -0.13 5.38 2.02 -0.40 -0.47 117.35 124.07 1g6h s TYR 224 Ca 0.11 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.58 1g6h s TYR 224 Cb -0.10 -0.69 -0.01 0.00 -0.40 0.00 0.00 41.96 40.76 1g6h s TYR 224 CO 0.00 -0.08 -0.15 0.08 -1.57 0.00 0.00 175.55 173.83 1g6h s VAL 225 N 0.03 2.81 0.15 0.71 1.01 -0.55 -0.78 120.40 123.79 1g6h s VAL 225 Ca -0.01 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.29 1g6h s VAL 225 Cb -0.07 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1g6h s VAL 225 CO 0.00 0.53 0.02 -0.04 0.00 0.00 0.00 175.10 175.61 1g6h s MET 226 N 0.45 2.52 -0.28 2.72 -1.94 0.32 -1.18 119.30 121.92 1g6h s MET 226 Ca -0.11 -1.01 -0.12 0.00 -1.71 0.00 0.00 55.69 52.75 1g6h s MET 226 Cb -0.16 -2.45 0.10 0.00 2.01 0.00 0.00 34.83 34.33 1g6h s MET 226 CO 0.05 0.48 0.63 0.12 -0.01 0.00 0.00 175.02 176.29 1g6h s PHE 227 N -1.64 -1.15 -1.36 -0.03 5.36 0.32 -4.16 117.98 115.32 1g6h s PHE 227 Ca 0.28 2.13 -0.03 0.00 -0.96 0.00 0.00 56.93 58.34 1g6h s PHE 227 Cb -0.10 0.67 0.02 0.00 -0.34 0.00 0.00 43.02 43.27 1g6h s PHE 227 CO 0.19 -0.58 0.78 0.09 -1.46 0.00 0.00 175.22 174.24 1g6h n ASN 228 N 4.99 -2.15 -0.84 6.13 3.02 -1.25 -1.73 115.26 123.43 1g6h n ASN 228 Ca -0.15 -0.80 -0.11 0.00 -0.03 0.00 0.00 54.58 53.49 1g6h n ASN 228 Cb 0.53 -4.07 -0.05 0.00 -0.61 0.00 0.00 39.78 35.58 1g6h n ASN 228 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g6h n GLY 229 N -1.61 1.18 3.08 7.41 0.00 0.17 -4.69 105.19 110.75 1g6h n GLY 229 Ca -0.21 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1g6h n GLY 229 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g6h s GLN 230 N -2.79 0.59 -0.24 1.61 -0.21 -0.71 0.21 119.66 118.13 1g6h s GLN 230 Ca 0.00 -0.88 -0.27 0.00 0.02 0.00 0.00 55.36 54.24 1g6h s GLN 230 Cb 0.00 -0.27 0.00 0.00 1.00 0.00 0.00 33.01 33.74 1g6h s GLN 230 CO 0.00 0.04 0.93 0.42 -2.12 0.00 0.00 175.29 174.55 1g6h s ILE 231 N -1.85 4.75 -0.37 1.08 -1.09 -1.26 -0.52 121.20 121.94 1g6h s ILE 231 Ca -0.05 1.75 0.13 0.00 -2.23 0.00 0.00 60.65 60.24 1g6h s ILE 231 Cb -0.07 -4.21 -0.16 0.00 -1.58 0.00 0.00 42.46 36.44 1g6h s ILE 231 CO -0.01 -0.14 0.44 2.30 -1.23 0.00 0.00 174.94 176.30 1g6h n ILE 232 N 5.32 0.00 -3.55 2.92 -5.35 -0.32 -4.95 119.36 113.43 1g6h n ILE 232 Ca 0.08 -0.24 -0.11 0.00 -0.27 0.00 0.00 62.75 62.21 1g6h n ILE 232 Cb 0.47 0.70 -0.04 0.00 -1.74 0.00 0.00 39.64 39.03 1g6h n ILE 232 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1g6h s ALA 233 N -2.46 -1.21 -0.10 -1.28 0.00 -1.20 -5.00 121.76 110.51 1g6h s ALA 233 Ca 0.01 0.19 -0.25 0.00 0.00 0.00 0.00 51.96 51.92 1g6h s ALA 233 Cb 0.09 0.76 0.06 0.00 0.00 0.00 0.00 23.12 24.03 1g6h s ALA 233 CO 0.53 -0.69 0.59 -2.00 0.00 0.00 0.00 175.76 174.19 1g6h s GLU 234 N -3.72 0.88 -0.08 0.00 2.12 -1.26 -1.48 118.70 115.14 1g6h s GLU 234 Ca 0.02 0.37 -0.07 0.00 0.36 0.00 0.00 54.97 55.64 1g6h s GLU 234 Cb 0.01 0.41 0.02 0.00 0.26 0.00 0.00 34.13 34.83 1g6h s GLU 234 CO -0.12 -0.22 0.22 0.20 -0.54 0.00 0.00 175.26 174.80 1g6h s GLY 235 N -0.73 -0.16 -0.29 -1.50 0.00 0.38 -4.93 107.32 100.10 1g6h s GLY 235 Ca -0.08 0.66 0.02 0.00 0.00 0.00 0.00 44.72 45.32 1g6h s GLY 235 CO 0.06 0.62 0.01 0.50 0.00 0.00 0.00 173.10 174.29 1g6h s ARG 236 N 0.26 1.40 0.00 2.90 0.52 -1.26 -0.42 118.95 122.35 1g6h s ARG 236 Ca -0.01 -1.32 0.00 0.00 -0.52 0.00 0.00 55.73 53.87 1g6h s ARG 236 Cb -0.03 -2.67 0.00 0.00 0.52 0.00 0.00 34.95 32.77 1g6h s ARG 236 CO -0.01 -0.80 0.00 0.41 0.02 0.00 0.00 175.30 174.92 1g6h n GLY 237 N 4.56 2.71 0.37 -3.53 0.00 -0.93 -4.56 105.19 103.81 1g6h n GLY 237 Ca -0.05 -1.83 -0.07 0.00 0.00 0.00 0.00 46.02 44.07 1g6h n GLY 237 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1g6h h GLU 238 N 0.00 -0.18 -0.08 1.61 4.81 -1.88 0.19 114.58 119.05 1g6h h GLU 238 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1g6h h GLU 238 Cb 0.00 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1g6h h GLU 238 CO 0.00 -0.12 0.03 1.49 -0.73 0.00 0.00 179.01 179.68 1g6h h GLU 239 N -0.19 0.12 -0.55 1.92 4.81 -1.99 -0.66 114.58 118.03 1g6h h GLU 239 Ca 0.21 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1g6h h GLU 239 Cb 0.56 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1g6h h GLU 239 CO -0.70 0.22 0.34 0.93 -0.73 0.00 0.00 179.01 179.07 1g6h h GLU 240 N -0.01 0.67 -0.76 1.92 5.08 -1.71 0.13 114.58 119.88 1g6h h GLU 240 Ca 0.03 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1g6h h GLU 240 Cb 0.14 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1g6h h GLU 240 CO -0.00 0.44 0.45 0.82 -1.00 0.00 0.00 179.01 179.71 1g6h h ILE 241 N 0.69 1.22 -0.19 3.13 2.04 -0.47 0.25 117.51 124.18 1g6h h ILE 241 Ca 0.21 -0.50 -0.14 0.00 1.00 0.00 0.00 64.86 65.44 1g6h h ILE 241 Cb -0.01 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 1g6h h ILE 241 CO -0.08 0.23 -0.48 0.11 0.00 0.00 0.00 178.15 177.94 1g6h h LYS 242 N 1.06 0.50 -0.26 2.37 1.57 -0.50 -1.18 116.57 120.12 1g6h h LYS 242 Ca 0.27 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1g6h h LYS 242 Cb -0.02 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1g6h h LYS 242 CO -0.05 0.87 0.09 -0.91 -0.57 0.00 0.00 179.45 178.88 1g6h h ASN 243 N 0.40 0.37 -0.23 0.86 2.35 0.59 -2.19 115.58 117.73 1g6h h ASN 243 Ca 0.02 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1g6h h ASN 243 Cb 0.98 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 1g6h h ASN 243 CO 0.09 0.46 0.11 0.58 -1.65 0.00 0.00 177.43 177.02 1g6h h VAL 244 N 0.26 0.99 0.00 2.81 2.07 -0.27 -0.28 116.25 121.83 1g6h h VAL 244 Ca 0.09 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1g6h h VAL 244 Cb 0.21 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1g6h h VAL 244 CO -0.00 0.04 -0.05 -0.07 0.02 0.00 0.00 177.57 177.51 1g6h h LEU 245 N 0.24 0.00 -1.33 2.57 3.38 -1.05 -1.06 115.31 118.06 1g6h h LEU 245 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1g6h h LEU 245 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1g6h h LEU 245 CO -0.07 0.05 -0.25 -1.20 0.09 0.00 0.00 178.44 177.06 1g6h n SER 246 N -3.32 2.31 -4.68 -0.43 7.64 -0.75 -4.68 113.62 109.71 1g6h n SER 246 Ca -0.02 -1.66 -0.43 0.00 1.01 0.00 0.00 58.87 57.77 1g6h n SER 246 Cb 0.20 0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 1g6h n SER 246 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1g6h n ASP 247 N 0.48 3.96 -0.23 6.43 -0.08 -0.19 -4.87 116.55 122.05 1g6h n ASP 247 Ca 0.12 0.98 0.03 0.00 -1.51 0.00 0.00 54.79 54.41 1g6h n ASP 247 Cb 0.51 -1.52 0.15 0.00 2.34 0.00 0.00 41.12 42.59 1g6h n ASP 247 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1g6h h PRO 248 N 8.82 0.21 -0.17 -0.67 0.11 -1.90 -0.72 132.00 137.68 1g6h h PRO 248 Ca -0.47 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1g6h h PRO 248 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1g6h h PRO 248 CO 0.94 0.14 -0.10 1.57 -0.21 0.00 0.00 178.00 180.34 1g6h h LYS 249 N 0.22 0.27 -0.15 1.05 2.10 -1.95 -1.92 116.57 116.19 1g6h h LYS 249 Ca 0.37 -0.06 -0.19 0.00 -2.00 0.00 0.00 60.65 58.77 1g6h h LYS 249 Cb 0.62 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1g6h h LYS 249 CO -0.50 0.38 -0.69 0.28 -2.00 0.00 0.00 179.45 176.92 1g6h h VAL 250 N 0.26 1.32 0.00 0.07 2.07 -1.45 -3.01 116.25 115.50 1g6h h VAL 250 Ca 0.05 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1g6h h VAL 250 Cb 0.35 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1g6h h VAL 250 CO 0.02 0.61 0.00 -0.37 0.02 0.00 0.00 177.57 177.85 1g6h h VAL 251 N 0.44 0.00 -0.45 2.57 -1.51 -1.10 -3.22 116.25 112.98 1g6h h VAL 251 Ca -0.03 -0.97 -0.14 0.00 -1.23 0.00 0.00 66.70 64.34 1g6h h VAL 251 Cb 1.28 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 32.40 1g6h h VAL 251 CO 0.13 0.00 -0.27 -0.08 -1.23 0.00 0.00 177.57 176.12 1g6h h GLU 252 N 0.00 0.97 0.00 5.19 4.81 -1.22 -1.91 114.58 122.41 1g6h h GLU 252 Ca 0.00 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1g6h h GLU 252 Cb 0.97 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1g6h h GLU 252 CO 0.00 1.11 0.00 0.44 -0.73 0.00 0.00 179.01 179.83 1g6h n ILE 253 N -4.09 0.52 -0.79 2.32 -5.35 -1.18 -1.81 119.36 108.98 1g6h n ILE 253 Ca -0.01 0.13 0.08 0.00 -0.27 0.00 0.00 62.75 62.68 1g6h n ILE 253 Cb 0.49 -0.90 0.27 0.00 -1.74 0.00 0.00 39.64 37.76 1g6h n ILE 253 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1g6h n TYR 254 N -1.24 1.04 -2.10 4.28 4.01 -0.72 -4.68 117.16 117.75 1g6h n TYR 254 Ca 0.07 -0.76 -0.43 0.00 -0.16 0.00 0.00 57.90 56.62 1g6h n TYR 254 Cb 0.10 -0.28 -0.03 0.00 -0.31 0.00 0.00 39.34 38.83 1g6h n TYR 254 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1g6h s ILE 255 N -2.38 3.62 0.00 -0.72 1.01 -0.75 -2.71 121.20 119.27 1g6h s ILE 255 Ca 0.41 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1g6h s ILE 255 Cb 0.31 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1g6h s ILE 255 CO 0.13 -0.45 0.00 0.61 0.00 0.00 0.00 174.94 175.22 1g6h n GLY 256 N 5.16 0.53 0.58 6.18 0.00 -1.26 -5.14 105.19 111.24 1g6h n GLY 256 Ca 0.21 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1g6h n GLY 256 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50