#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qf0 s THR 2 N 0.00 5.20 0.00 1.39 2.01 -1.26 -5.01 115.64 117.97 1qf0 s THR 2 Ca 0.00 0.72 0.00 0.00 0.31 0.00 0.00 61.69 62.72 1qf0 s THR 2 Cb 0.00 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1qf0 s THR 2 CO 0.00 0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 1qf0 n GLY 3 N 3.84 1.52 3.74 4.40 0.00 -1.26 -4.74 105.19 112.69 1qf0 n GLY 3 Ca -0.08 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 1qf0 n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qf0 s THR 4 N -2.46 5.23 0.26 2.61 2.01 -0.29 -4.82 115.64 118.18 1qf0 s THR 4 Ca 0.00 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 1qf0 s THR 4 Cb 0.00 -3.35 -0.09 0.00 0.01 0.00 0.00 72.50 69.07 1qf0 s THR 4 CO 0.00 0.49 1.20 -0.44 -0.69 0.00 0.00 174.62 175.19 1qf0 s SER 5 N -0.02 7.05 0.27 3.53 0.01 -1.26 -0.04 113.70 123.24 1qf0 s SER 5 Ca 0.09 2.38 -0.03 0.00 1.31 0.00 0.00 55.95 59.69 1qf0 s SER 5 Cb -0.12 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.50 1qf0 s SER 5 CO 0.00 -0.35 0.41 1.07 0.41 0.00 0.00 173.24 174.78 1qf0 n THR 6 N 1.65 0.00 -4.31 1.44 5.66 -0.42 -4.90 114.28 113.40 1qf0 n THR 6 Ca 0.02 -1.24 -0.26 0.00 -3.05 0.00 0.00 64.05 59.51 1qf0 n THR 6 Cb 0.44 0.81 -0.17 0.00 -1.55 0.00 0.00 70.33 69.86 1qf0 n THR 6 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1qf0 s VAL 7 N -2.66 1.18 0.52 1.08 1.01 -1.26 -1.56 120.40 118.72 1qf0 s VAL 7 Ca 0.20 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1qf0 s VAL 7 Cb -0.01 -1.12 0.04 0.00 0.00 0.00 0.00 36.38 35.28 1qf0 s VAL 7 CO 0.15 0.38 0.50 -0.83 0.00 0.00 0.00 175.10 175.30 1qf0 s GLY 8 N 1.11 2.14 0.01 4.51 0.00 0.96 -4.93 107.32 111.12 1qf0 s GLY 8 Ca -0.06 -1.65 0.02 0.00 0.00 0.00 0.00 44.72 43.03 1qf0 s GLY 8 CO -0.02 -1.81 -0.06 0.54 0.00 0.00 0.00 173.10 171.75 1qf0 s VAL 9 N -2.66 0.46 0.10 1.40 0.11 -0.98 -0.75 120.40 118.07 1qf0 s VAL 9 Ca 0.45 -0.45 -0.03 0.00 -2.93 0.00 0.00 61.98 59.03 1qf0 s VAL 9 Cb -0.04 -0.43 0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1qf0 s VAL 9 CO 0.28 -0.01 0.18 0.61 -3.33 0.00 0.00 175.10 172.83 1qf0 n GLY 10 N 2.57 2.14 3.08 6.54 0.00 -0.15 -0.41 105.19 118.96 1qf0 n GLY 10 Ca -0.15 -1.21 -0.26 0.00 0.00 0.00 0.00 46.02 44.39 1qf0 n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qf0 s ARG 11 N -2.09 2.02 0.74 1.61 3.52 -0.73 -0.63 118.95 123.38 1qf0 s ARG 11 Ca 0.05 -0.54 -0.11 0.00 -0.13 0.00 0.00 55.73 55.00 1qf0 s ARG 11 Cb -0.01 -1.62 0.17 0.00 -1.56 0.00 0.00 34.95 31.92 1qf0 s ARG 11 CO 0.04 0.08 1.01 0.41 -0.81 0.00 0.00 175.30 176.03 1qf0 n GLY 12 N 3.67 -1.11 0.37 8.12 0.00 0.12 -4.14 105.19 112.22 1qf0 n GLY 12 Ca -0.21 -1.75 0.10 0.00 0.00 0.00 0.00 46.02 44.15 1qf0 n GLY 12 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1qf0 h VAL 13 N -1.45 0.87 -0.16 1.61 2.07 -1.89 -0.71 116.25 116.58 1qf0 h VAL 13 Ca -0.33 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1qf0 h VAL 13 Cb 0.94 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1qf0 h VAL 13 CO 0.25 0.15 0.00 0.18 0.02 0.00 0.00 177.57 178.17 1qf0 n LEU 14 N -4.60 1.12 0.00 2.57 4.77 -1.26 -4.89 117.00 114.71 1qf0 n LEU 14 Ca 0.18 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1qf0 n LEU 14 Cb 0.42 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1qf0 n LEU 14 CO 0.28 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1qf0 n GLY 15 N 0.93 0.76 3.77 -0.72 0.00 -0.27 -5.05 105.19 104.61 1qf0 n GLY 15 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1qf0 n GLY 15 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1qf0 s ASP 16 N -2.64 7.36 0.03 1.61 -4.77 -1.26 -4.73 116.67 112.27 1qf0 s ASP 16 Ca 0.00 1.61 -0.22 0.00 -3.30 0.00 0.00 52.55 50.64 1qf0 s ASP 16 Cb 0.00 -2.50 -0.06 0.00 -1.09 0.00 0.00 42.92 39.28 1qf0 s ASP 16 CO 0.00 0.16 0.64 -1.58 0.70 0.00 0.00 175.17 175.09 1qf0 s GLN 17 N -0.87 4.36 0.08 2.11 0.74 -1.26 0.12 119.66 124.93 1qf0 s GLN 17 Ca 0.37 0.84 -0.09 0.00 0.05 0.00 0.00 55.36 56.52 1qf0 s GLN 17 Cb -0.23 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 30.56 1qf0 s GLN 17 CO 0.26 0.41 0.20 -1.59 -0.55 0.00 0.00 175.29 174.01 1qf0 s LYS 18 N -0.38 0.83 -0.03 1.67 0.00 0.20 -4.97 119.74 117.07 1qf0 s LYS 18 Ca 0.33 -0.91 -0.10 0.00 0.00 0.00 0.00 55.97 55.29 1qf0 s LYS 18 Cb -0.19 0.34 -0.05 0.00 0.00 0.00 0.00 37.83 37.93 1qf0 s LYS 18 CO 0.19 -0.26 0.29 -0.80 0.00 0.00 0.00 175.35 174.76 1qf0 s ASN 19 N -2.77 6.59 0.06 0.03 0.01 -1.26 -0.98 114.94 116.62 1qf0 s ASN 19 Ca 0.04 0.69 0.05 0.00 -0.71 0.00 0.00 52.86 52.93 1qf0 s ASN 19 Cb 0.04 -2.15 -0.03 0.00 0.41 0.00 0.00 41.25 39.53 1qf0 s ASN 19 CO -0.10 0.33 -0.15 0.27 -1.51 0.00 0.00 177.10 175.93 1qf0 s ILE 20 N -1.14 1.19 -0.24 0.60 -4.36 0.07 -4.97 121.20 112.35 1qf0 s ILE 20 Ca 0.22 -1.20 -0.26 0.00 -0.26 0.00 0.00 60.65 59.15 1qf0 s ILE 20 Cb -0.14 -1.10 -0.00 0.00 1.25 0.00 0.00 42.46 42.46 1qf0 s ILE 20 CO 0.11 -0.10 0.88 0.20 0.24 0.00 0.00 174.94 176.26 1qf0 s ASN 21 N -1.50 6.89 0.45 4.36 -0.87 -1.26 -0.03 114.94 122.99 1qf0 s ASN 21 Ca 0.00 1.12 0.03 0.00 -1.57 0.00 0.00 52.86 52.44 1qf0 s ASN 21 Cb -0.09 -2.46 -0.03 0.00 -0.02 0.00 0.00 41.25 38.65 1qf0 s ASN 21 CO 0.02 -0.55 0.04 0.42 -2.57 0.00 0.00 177.10 174.46 1qf0 s THR 22 N 2.93 1.14 -0.03 1.60 -4.23 -0.60 -3.70 115.64 112.75 1qf0 s THR 22 Ca 0.37 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.92 1qf0 s THR 22 Cb -0.15 -2.40 -0.00 0.00 1.34 0.00 0.00 72.50 71.29 1qf0 s THR 22 CO 0.07 0.00 -0.14 -0.89 -0.54 0.00 0.00 174.62 173.12 1qf0 s THR 23 N -2.98 1.13 -0.17 3.99 2.01 -0.24 -1.30 115.64 118.08 1qf0 s THR 23 Ca 0.18 -0.57 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 1qf0 s THR 23 Cb 0.04 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 1qf0 s THR 23 CO 0.09 0.33 -0.01 -0.47 -0.69 0.00 0.00 174.62 173.87 1qf0 s TYR 24 N -0.06 3.07 -0.41 4.92 5.04 0.95 -0.02 117.35 130.84 1qf0 s TYR 24 Ca -0.00 -0.26 0.01 0.00 -2.44 0.00 0.00 57.07 54.37 1qf0 s TYR 24 Cb -0.08 -2.00 0.19 0.00 0.35 0.00 0.00 41.96 40.42 1qf0 s TYR 24 CO 0.01 -0.04 0.86 0.45 -1.34 0.00 0.00 175.55 175.49 1qf0 s SER 25 N 0.48 -0.96 0.00 4.32 0.15 -1.26 -1.13 113.70 115.30 1qf0 s SER 25 Ca -0.02 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1qf0 s SER 25 Cb -0.14 1.24 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 1qf0 s SER 25 CO 0.02 -0.06 0.00 0.41 1.20 0.00 0.00 173.24 174.81 1qf0 n THR 26 N 3.33 0.00 -3.78 6.45 -1.04 -1.26 -4.77 114.28 113.22 1qf0 n THR 26 Ca 0.12 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.91 1qf0 n THR 26 Cb 0.60 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.06 1qf0 n THR 26 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1qf0 s TYR 27 N 0.00 2.68 -0.24 -1.42 2.02 -1.26 -4.99 117.35 114.14 1qf0 s TYR 27 Ca 0.00 -0.52 -0.09 0.00 -0.37 0.00 0.00 57.07 56.09 1qf0 s TYR 27 Cb 0.00 -2.09 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 1qf0 s TYR 27 CO 0.00 -0.00 0.11 0.71 -1.57 0.00 0.00 175.55 174.80 1qf0 s TYR 28 N -2.52 3.19 0.04 2.71 2.02 0.12 -4.36 117.35 118.55 1qf0 s TYR 28 Ca 0.45 -0.07 0.03 0.00 -0.37 0.00 0.00 57.07 57.11 1qf0 s TYR 28 Cb -0.01 -2.25 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 1qf0 s TYR 28 CO 0.26 -0.13 0.03 0.71 -1.57 0.00 0.00 175.55 174.84 1qf0 s TYR 29 N 1.31 3.10 -1.37 2.71 2.02 0.98 0.03 117.35 126.13 1qf0 s TYR 29 Ca 0.06 0.06 -0.16 0.00 -0.37 0.00 0.00 57.07 56.66 1qf0 s TYR 29 Cb -0.15 -1.63 0.05 0.00 -0.40 0.00 0.00 41.96 39.84 1qf0 s TYR 29 CO 0.05 0.49 1.98 1.28 -1.57 0.00 0.00 175.55 177.78 1qf0 n LEU 30 N 0.94 5.82 -3.71 -1.29 4.77 -0.67 -1.08 117.00 121.78 1qf0 n LEU 30 Ca -0.12 -4.00 -0.26 0.00 -0.03 0.00 0.00 56.01 51.59 1qf0 n LEU 30 Cb 0.52 -1.70 -0.17 0.00 -2.33 0.00 0.00 43.42 39.74 1qf0 n LEU 30 CO 0.38 0.58 -0.36 -1.58 -1.33 0.00 0.00 177.39 175.08 1qf0 s GLN 31 N 3.78 0.47 -0.41 3.23 0.74 -1.26 -1.99 119.66 124.22 1qf0 s GLN 31 Ca 0.51 -0.21 -0.16 0.00 0.05 0.00 0.00 55.36 55.55 1qf0 s GLN 31 Cb 0.09 -1.77 0.02 0.00 1.10 0.00 0.00 33.01 32.45 1qf0 s GLN 31 CO 0.00 -0.57 0.38 0.34 -0.55 0.00 0.00 175.29 174.89 1qf0 s ASP 32 N 1.96 6.16 0.00 6.67 2.15 0.38 -2.89 116.67 131.11 1qf0 s ASP 32 Ca 0.01 -0.68 0.26 0.00 0.43 0.00 0.00 52.55 52.57 1qf0 s ASP 32 Cb -0.16 -2.20 0.71 0.00 -0.30 0.00 0.00 42.92 40.97 1qf0 s ASP 32 CO -0.07 -0.51 1.54 0.59 -0.17 0.00 0.00 175.17 176.55 1qf0 n ASN 33 N 5.44 0.95 -0.03 -0.34 3.02 -1.26 -1.16 115.26 121.88 1qf0 n ASN 33 Ca -0.09 -0.80 0.14 0.00 -0.03 0.00 0.00 54.58 53.81 1qf0 n ASN 33 Cb 0.48 0.16 0.66 0.00 -0.61 0.00 0.00 39.78 40.47 1qf0 n ASN 33 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1qf0 n THR 34 N -0.78 0.00 -3.96 3.41 -2.24 -1.26 -4.73 114.28 104.73 1qf0 n THR 34 Ca 0.11 -0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.58 1qf0 n THR 34 Cb 0.35 -0.35 -0.16 0.00 -2.10 0.00 0.00 70.33 68.07 1qf0 n THR 34 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1qf0 s ARG 35 N -2.67 1.79 3.49 -0.78 0.52 -1.26 -5.05 118.95 114.99 1qf0 s ARG 35 Ca 0.24 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 1qf0 s ARG 35 Cb 0.20 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.32 1qf0 s ARG 35 CO 0.49 -0.47 0.00 0.41 0.02 0.00 0.00 175.30 175.76 1qf0 n GLY 36 N 4.73 2.40 0.07 -3.53 0.00 -1.26 -0.52 105.19 107.07 1qf0 n GLY 36 Ca -0.13 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.64 1qf0 n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qf0 n ASP 37 N 0.39 0.21 0.00 1.61 8.00 -0.77 -4.97 116.55 121.01 1qf0 n ASP 37 Ca 0.00 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1qf0 n ASP 37 Cb 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1qf0 n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qf0 n GLY 38 N 0.60 2.79 3.10 0.44 0.00 0.32 -4.65 105.19 107.79 1qf0 n GLY 38 Ca 0.03 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 1qf0 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qf0 s ILE 39 N -2.71 1.85 -0.09 -0.61 1.01 -0.31 -1.67 121.20 118.67 1qf0 s ILE 39 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.86 1qf0 s ILE 39 Cb 0.00 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.80 1qf0 s ILE 39 CO 0.00 0.51 -0.22 -0.36 0.00 0.00 0.00 174.94 174.86 1qf0 s PHE 40 N 1.10 2.39 -0.10 3.97 0.40 0.14 -0.47 117.98 125.41 1qf0 s PHE 40 Ca -0.02 -0.95 0.02 0.00 -0.60 0.00 0.00 56.93 55.38 1qf0 s PHE 40 Cb -0.14 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.77 1qf0 s PHE 40 CO -0.06 -0.39 -0.18 0.99 0.70 0.00 0.00 175.22 176.28 1qf0 s THR 41 N 0.36 2.62 0.24 0.64 2.01 -0.84 -1.49 115.64 119.17 1qf0 s THR 41 Ca -0.17 -0.83 0.10 0.00 0.31 0.00 0.00 61.69 61.10 1qf0 s THR 41 Cb -0.17 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 70.25 1qf0 s THR 41 CO 0.08 0.55 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.12 1qf0 s TYR 42 N 0.14 2.48 -0.30 4.92 1.51 0.11 -1.16 117.35 125.05 1qf0 s TYR 42 Ca -0.09 -0.28 -0.10 0.00 -1.01 0.00 0.00 57.07 55.59 1qf0 s TYR 42 Cb -0.16 -1.14 -0.02 0.00 -0.11 0.00 0.00 41.96 40.53 1qf0 s TYR 42 CO 0.06 0.60 0.15 0.34 -1.11 0.00 0.00 175.55 175.60 1qf0 s ASP 43 N -3.24 5.62 0.00 2.29 2.15 0.19 -1.11 116.67 122.57 1qf0 s ASP 43 Ca 0.27 -0.37 0.27 0.00 0.43 0.00 0.00 52.55 53.15 1qf0 s ASP 43 Cb -0.07 -2.02 0.83 0.00 -0.30 0.00 0.00 42.92 41.35 1qf0 s ASP 43 CO 0.15 -0.15 1.62 0.00 -0.17 0.00 0.00 175.17 176.63 1qf0 n ALA 44 N 5.00 3.09 -3.23 3.66 0.00 -0.05 -1.61 120.51 127.38 1qf0 n ALA 44 Ca -0.14 -0.31 -0.23 0.00 0.00 0.00 0.00 53.44 52.76 1qf0 n ALA 44 Cb 0.50 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.74 1qf0 n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qf0 n LYS 45 N -1.19 -4.02 -1.10 0.00 5.02 -1.23 -1.21 118.16 114.42 1qf0 n LYS 45 Ca 0.09 0.64 -0.04 0.00 -2.02 0.00 0.00 58.31 56.99 1qf0 n LYS 45 Cb 0.33 -5.42 -0.02 0.00 -0.02 0.00 0.00 35.03 29.90 1qf0 n LYS 45 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1qf0 n TYR 46 N -4.17 0.00 -3.87 2.13 4.01 0.16 -4.96 117.16 110.47 1qf0 n TYR 46 Ca -0.05 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.43 1qf0 n TYR 46 Cb 0.57 -1.30 0.00 0.00 -0.31 0.00 0.00 39.34 38.31 1qf0 n TYR 46 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1qf0 n ARG 47 N -1.67 0.68 -0.04 -0.72 1.74 -0.35 -3.68 116.66 112.62 1qf0 n ARG 47 Ca -0.04 -3.41 0.06 0.00 -0.77 0.00 0.00 57.85 53.69 1qf0 n ARG 47 Cb 0.27 0.35 0.07 0.00 -1.02 0.00 0.00 32.46 32.13 1qf0 n ARG 47 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1qf0 n THR 48 N -1.79 0.22 -2.61 0.55 -2.24 -1.26 -0.82 114.28 106.33 1qf0 n THR 48 Ca -0.02 -0.61 -0.41 0.00 -2.27 0.00 0.00 64.05 60.74 1qf0 n THR 48 Cb 0.62 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 69.89 1qf0 n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1qf0 s THR 49 N -0.96 4.26 0.15 4.28 -4.23 -1.26 -5.03 115.64 112.85 1qf0 s THR 49 Ca 0.16 1.83 0.11 0.00 -1.18 0.00 0.00 61.69 62.60 1qf0 s THR 49 Cb 0.10 -4.17 -0.04 0.00 1.34 0.00 0.00 72.50 69.73 1qf0 s THR 49 CO 0.15 0.26 -0.23 -0.76 -0.54 0.00 0.00 174.62 173.50 1qf0 s LEU 50 N 0.14 2.49 0.15 4.79 1.43 -1.26 -3.88 118.68 122.54 1qf0 s LEU 50 Ca 0.50 -0.73 0.26 0.00 -1.03 0.00 0.00 54.13 53.13 1qf0 s LEU 50 Cb -0.26 -1.31 0.75 0.00 0.03 0.00 0.00 46.19 45.40 1qf0 s LEU 50 CO 0.31 0.15 1.68 -0.81 0.23 0.00 0.00 176.35 177.91 1qf0 n PRO 51 N 0.61 0.22 0.00 1.29 -0.04 -1.26 -5.11 135.00 130.71 1qf0 n PRO 51 Ca -0.15 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1qf0 n PRO 51 Cb 0.54 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1qf0 n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qf0 n GLY 52 N 1.35 0.25 3.61 0.55 0.00 -1.25 -4.33 105.19 105.38 1qf0 n GLY 52 Ca 0.05 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 1qf0 n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qf0 s SER 53 N -4.00 5.23 0.12 1.61 0.01 -0.63 -4.87 113.70 111.18 1qf0 s SER 53 Ca 0.00 0.04 -0.33 0.00 1.31 0.00 0.00 55.95 56.97 1qf0 s SER 53 Cb 0.00 -1.73 -0.13 0.00 0.21 0.00 0.00 66.02 64.37 1qf0 s SER 53 CO 0.00 0.25 1.68 -0.11 0.41 0.00 0.00 173.24 175.47 1qf0 n LEU 54 N 3.00 3.40 -4.67 2.44 7.94 -1.26 -0.64 117.00 127.21 1qf0 n LEU 54 Ca -0.18 1.05 -0.48 0.00 -1.11 0.00 0.00 56.01 55.29 1qf0 n LEU 54 Cb 0.53 -1.45 -0.05 0.00 0.53 0.00 0.00 43.42 42.98 1qf0 n LEU 54 CO 0.32 -0.13 1.52 1.87 -1.11 0.00 0.00 177.39 179.86 1qf0 n TRP 55 N 4.33 2.32 -5.03 1.96 -0.00 -0.31 -4.82 117.44 115.89 1qf0 n TRP 55 Ca 0.18 -0.04 -0.32 0.00 -0.00 0.00 0.00 57.50 57.32 1qf0 n TRP 55 Cb 0.31 -2.68 -0.15 0.00 -0.00 0.00 0.00 31.31 28.79 1qf0 n TRP 55 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1qf0 s ALA 56 N 4.31 2.45 0.00 5.87 0.00 -1.26 -1.67 121.76 131.46 1qf0 s ALA 56 Ca 0.93 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.90 1qf0 s ALA 56 Cb -0.67 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 1qf0 s ALA 56 CO 0.51 0.46 -0.05 0.34 0.00 0.00 0.00 175.76 177.02 1qf0 s ASP 57 N -0.38 0.62 0.20 0.00 2.15 0.11 -4.95 116.67 114.41 1qf0 s ASP 57 Ca 0.04 -0.16 0.08 0.00 0.43 0.00 0.00 52.55 52.93 1qf0 s ASP 57 Cb -0.12 -0.05 0.10 0.00 -0.30 0.00 0.00 42.92 42.55 1qf0 s ASP 57 CO 0.02 0.02 1.46 0.00 -0.17 0.00 0.00 175.17 176.50 1qf0 h ALA 58 N 5.80 0.69 0.00 3.66 0.00 -1.93 0.35 119.26 127.83 1qf0 h ALA 58 Ca -0.29 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1qf0 h ALA 58 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1qf0 h ALA 58 CO 0.49 0.95 0.00 -0.40 0.00 0.00 0.00 179.25 180.28 1qf0 n ASP 59 N -3.64 1.28 -0.60 0.00 5.68 -1.26 -4.72 116.55 113.29 1qf0 n ASP 59 Ca -0.01 -1.55 -0.08 0.00 -0.50 0.00 0.00 54.79 52.64 1qf0 n ASP 59 Cb 0.75 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.70 1qf0 n ASP 59 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1qf0 n ASN 60 N -0.28 -4.49 -4.22 -1.12 5.15 -1.26 -4.99 115.26 104.06 1qf0 n ASN 60 Ca 0.00 0.19 -0.33 0.00 -0.60 0.00 0.00 54.58 53.85 1qf0 n ASN 60 Cb 0.26 -2.67 -0.16 0.00 -0.53 0.00 0.00 39.78 36.68 1qf0 n ASN 60 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1qf0 s GLN 61 N -2.36 3.11 -0.63 1.20 -0.21 -1.26 -2.33 119.66 117.17 1qf0 s GLN 61 Ca 0.00 -0.81 0.05 0.00 0.02 0.00 0.00 55.36 54.62 1qf0 s GLN 61 Cb 0.00 -2.50 0.28 0.00 1.00 0.00 0.00 33.01 31.79 1qf0 s GLN 61 CO 0.00 0.03 0.84 1.19 -2.12 0.00 0.00 175.29 175.23 1qf0 n PHE 62 N 3.98 3.75 0.57 0.91 3.01 0.46 -4.82 117.46 125.32 1qf0 n PHE 62 Ca -0.19 -4.06 0.09 0.00 1.01 0.00 0.00 57.45 54.29 1qf0 n PHE 62 Cb 0.52 -0.56 0.10 0.00 -0.01 0.00 0.00 39.48 39.53 1qf0 n PHE 62 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1qf0 n PHE 63 N 0.51 0.11 -2.61 1.38 3.72 -1.26 -1.78 117.46 117.53 1qf0 n PHE 63 Ca 0.30 -0.08 -0.34 0.00 -0.05 0.00 0.00 57.45 57.29 1qf0 n PHE 63 Cb 0.40 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.90 1qf0 n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qf0 s ALA 64 N -1.38 2.93 0.41 4.37 0.00 -1.26 -4.91 121.76 121.92 1qf0 s ALA 64 Ca 0.23 0.57 0.09 0.00 0.00 0.00 0.00 51.96 52.84 1qf0 s ALA 64 Cb 0.15 -3.23 0.87 0.00 0.00 0.00 0.00 23.12 20.91 1qf0 s ALA 64 CO 0.22 -0.20 2.01 0.66 0.00 0.00 0.00 175.76 178.46 1qf0 h SER 65 N 1.73 0.35 -0.04 0.00 4.64 -1.96 -0.81 113.55 117.45 1qf0 h SER 65 Ca -0.49 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 60.77 1qf0 h SER 65 Cb 1.21 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1qf0 h SER 65 CO 0.60 0.33 -0.04 0.22 -0.87 0.00 0.00 176.83 177.07 1qf0 h TYR 66 N 0.39 0.22 -0.10 4.77 3.20 -1.99 -2.91 116.97 120.55 1qf0 h TYR 66 Ca 0.10 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.80 1qf0 h TYR 66 Cb 0.10 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1qf0 h TYR 66 CO 0.00 0.27 -0.62 -0.44 -1.64 0.00 0.00 178.16 175.73 1qf0 h ASP 67 N 0.21 0.40 -0.91 -2.11 3.32 -1.49 -3.39 116.42 112.45 1qf0 h ASP 67 Ca 0.05 -0.23 0.12 0.00 0.02 0.00 0.00 57.03 56.99 1qf0 h ASP 67 Cb 0.22 -0.12 -0.13 0.00 0.22 0.00 0.00 39.33 39.52 1qf0 h ASP 67 CO 0.01 0.92 -0.43 0.00 -1.72 0.00 0.00 179.24 178.02 1qf0 n ALA 68 N -2.49 -0.29 0.23 3.45 0.00 -1.10 -0.72 120.51 119.59 1qf0 n ALA 68 Ca -0.03 0.85 0.06 0.00 0.00 0.00 0.00 53.44 54.32 1qf0 n ALA 68 Cb 0.63 -0.30 0.53 0.00 0.00 0.00 0.00 19.45 20.32 1qf0 n ALA 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1qf0 h PRO 69 N 0.00 0.00 -0.17 0.00 0.11 -1.79 -2.54 132.00 127.61 1qf0 h PRO 69 Ca 0.25 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.24 1qf0 h PRO 69 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1qf0 h PRO 69 CO -0.88 0.14 -0.36 0.00 -0.21 0.00 0.00 178.00 176.69 1qf0 h ALA 70 N 1.86 0.27 -0.11 -0.75 0.00 -1.17 -1.81 119.26 117.56 1qf0 h ALA 70 Ca -0.00 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.51 1qf0 h ALA 70 Cb 0.25 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1qf0 h ALA 70 CO 0.02 0.34 -0.13 0.28 0.00 0.00 0.00 179.25 179.76 1qf0 h VAL 71 N 0.19 0.65 -0.44 0.00 2.07 -0.99 -1.14 116.25 116.59 1qf0 h VAL 71 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1qf0 h VAL 71 Cb 0.96 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1qf0 h VAL 71 CO 0.08 0.00 -0.08 0.44 0.02 0.00 0.00 177.57 178.03 1qf0 h ASP 72 N -0.17 0.83 -0.67 0.57 3.32 -1.49 0.10 116.42 118.92 1qf0 h ASP 72 Ca 0.08 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 1qf0 h ASP 72 Cb 0.28 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1qf0 h ASP 72 CO -0.21 0.99 0.39 0.00 -1.72 0.00 0.00 179.24 178.69 1qf0 h ALA 73 N 0.87 0.86 0.10 3.45 0.00 -1.19 0.24 119.26 123.59 1qf0 h ALA 73 Ca 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1qf0 h ALA 73 Cb 0.61 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1qf0 h ALA 73 CO 0.04 0.35 -0.05 1.25 0.00 0.00 0.00 179.25 180.84 1qf0 h HIS 74 N 0.91 -0.12 -0.20 0.00 -0.00 -1.12 -2.34 115.15 112.28 1qf0 h HIS 74 Ca 0.24 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 1qf0 h HIS 74 Cb 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 1qf0 h HIS 74 CO -0.01 0.24 0.10 -0.92 -0.00 0.00 0.00 177.93 177.34 1qf0 h TYR 75 N -0.50 0.28 0.00 5.26 3.20 -0.64 -2.86 116.97 121.71 1qf0 h TYR 75 Ca -0.01 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.78 1qf0 h TYR 75 Cb 0.41 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1qf0 h TYR 75 CO 0.04 0.27 -0.31 1.88 -1.64 0.00 0.00 178.16 178.41 1qf0 h TYR 76 N 0.21 0.00 -0.46 -3.82 0.05 -0.59 -2.10 116.97 110.26 1qf0 h TYR 76 Ca 0.07 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.72 1qf0 h TYR 76 Cb 0.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1qf0 h TYR 76 CO -0.03 0.31 -0.21 0.00 -1.05 0.00 0.00 178.16 177.18 1qf0 h ALA 77 N 1.69 0.76 -0.20 3.88 0.00 -1.33 -1.02 119.26 123.04 1qf0 h ALA 77 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1qf0 h ALA 77 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1qf0 h ALA 77 CO 0.04 0.66 0.09 0.78 0.00 0.00 0.00 179.25 180.82 1qf0 h GLY 78 N 0.91 0.31 0.96 0.00 0.00 -1.18 0.01 103.07 104.08 1qf0 h GLY 78 Ca 0.11 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.29 1qf0 h GLY 78 CO 0.06 0.15 0.60 -2.08 0.00 0.00 0.00 176.54 175.27 1qf0 h VAL 79 N 0.18 1.20 -0.33 4.60 2.07 -1.29 -0.02 116.25 122.66 1qf0 h VAL 79 Ca 0.07 -0.41 -0.11 0.00 0.82 0.00 0.00 66.70 67.07 1qf0 h VAL 79 Cb 0.15 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1qf0 h VAL 79 CO -0.01 0.22 -0.25 0.74 0.02 0.00 0.00 177.57 178.29 1qf0 h THR 80 N 1.20 1.27 -0.48 2.57 2.02 -0.97 -0.86 112.91 117.65 1qf0 h THR 80 Ca 0.34 -1.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.14 1qf0 h THR 80 Cb -0.09 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1qf0 h THR 80 CO -0.09 0.44 0.13 0.22 0.37 0.00 0.00 175.52 176.59 1qf0 h TYR 81 N 0.57 0.79 -0.60 3.16 5.03 -0.22 -2.35 116.97 123.36 1qf0 h TYR 81 Ca 0.08 -0.09 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 1qf0 h TYR 81 Cb 0.73 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.76 1qf0 h TYR 81 CO 0.03 0.71 0.37 -0.44 -1.32 0.00 0.00 178.16 177.51 1qf0 h ASP 82 N 0.65 0.71 -0.01 -2.11 3.32 -0.64 -1.42 116.42 116.93 1qf0 h ASP 82 Ca 0.15 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.18 1qf0 h ASP 82 Cb 0.30 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1qf0 h ASP 82 CO -0.00 0.54 -0.14 0.22 -1.72 0.00 0.00 179.24 178.15 1qf0 h TYR 83 N 0.81 -0.35 -0.69 4.55 3.20 -0.93 0.15 116.97 123.72 1qf0 h TYR 83 Ca 0.22 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1qf0 h TYR 83 Cb -0.05 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1qf0 h TYR 83 CO -0.02 -0.20 0.32 1.88 -1.64 0.00 0.00 178.16 178.49 1qf0 h TYR 84 N -0.23 0.99 0.12 -3.82 0.05 -1.19 0.84 116.97 113.73 1qf0 h TYR 84 Ca 0.05 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1qf0 h TYR 84 Cb 0.29 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.72 1qf0 h TYR 84 CO -0.20 0.73 -0.06 -0.22 -1.05 0.00 0.00 178.16 177.37 1qf0 h LYS 85 N 0.98 -0.15 -0.29 4.88 3.64 -0.98 -0.12 116.57 124.54 1qf0 h LYS 85 Ca 0.24 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.50 1qf0 h LYS 85 Cb 0.12 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1qf0 h LYS 85 CO -0.03 0.32 -0.33 -0.91 -2.27 0.00 0.00 179.45 176.23 1qf0 h ASN 86 N -0.73 0.79 0.16 4.20 2.35 -0.65 -1.24 115.58 120.46 1qf0 h ASN 86 Ca -0.02 -0.49 -0.34 0.00 -0.55 0.00 0.00 56.30 54.91 1qf0 h ASN 86 Cb 0.54 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1qf0 h ASN 86 CO 0.03 1.12 -1.71 0.58 -1.65 0.00 0.00 177.43 175.79 1qf0 h VAL 87 N 0.48 0.92 -0.04 2.81 2.07 -0.98 -3.40 116.25 118.11 1qf0 h VAL 87 Ca 0.04 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1qf0 h VAL 87 Cb 0.91 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 1qf0 h VAL 87 CO 0.08 0.83 0.00 1.41 0.02 0.00 0.00 177.57 179.91 1qf0 n HIS 88 N -3.66 0.04 -3.06 1.57 8.25 -0.78 -4.99 115.22 112.59 1qf0 n HIS 88 Ca -0.26 -0.07 -0.23 0.00 -0.26 0.00 0.00 57.72 56.91 1qf0 n HIS 88 Cb 1.03 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 32.17 1qf0 n HIS 88 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1qf0 n ASN 89 N 0.38 -5.81 -4.55 0.41 4.13 -0.34 -4.95 115.26 104.53 1qf0 n ASN 89 Ca 0.05 -0.30 -0.34 0.00 1.68 0.00 0.00 54.58 55.67 1qf0 n ASN 89 Cb 0.21 -4.70 -0.11 0.00 -1.54 0.00 0.00 39.78 33.63 1qf0 n ASN 89 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1qf0 s ARG 90 N -5.74 3.80 -0.60 3.52 3.52 -0.20 -4.93 118.95 118.30 1qf0 s ARG 90 Ca 0.32 -0.44 -0.21 0.00 -0.13 0.00 0.00 55.73 55.27 1qf0 s ARG 90 Cb -0.14 -3.09 0.08 0.00 -1.56 0.00 0.00 34.95 30.24 1qf0 s ARG 90 CO 0.39 0.20 0.80 -0.51 -0.81 0.00 0.00 175.30 175.38 1qf0 s LEU 91 N 0.51 4.89 0.00 -0.88 1.43 -1.26 -2.71 118.68 120.66 1qf0 s LEU 91 Ca 0.00 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 51.96 1qf0 s LEU 91 Cb -0.14 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1qf0 s LEU 91 CO 0.02 -1.21 0.00 -0.24 0.23 0.00 0.00 176.35 175.14 1qf0 n SER 92 N 6.88 -6.85 0.22 2.29 2.88 -1.26 -0.83 113.62 116.94 1qf0 n SER 92 Ca -0.06 1.04 0.06 0.00 -1.33 0.00 0.00 58.87 58.58 1qf0 n SER 92 Cb 0.44 -2.93 0.49 0.00 -0.75 0.00 0.00 64.21 61.47 1qf0 n SER 92 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 1qf0 h TYR 93 N -0.90 0.00 -0.02 0.66 -0.00 -1.92 -2.54 116.97 112.26 1qf0 h TYR 93 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.75 1qf0 h TYR 93 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.61 1qf0 h TYR 93 CO 0.00 0.24 -0.16 -0.40 -0.00 0.00 0.00 178.16 177.84 1qf0 n ASP 94 N -4.08 1.84 0.00 0.10 5.75 -1.26 -4.27 116.55 114.63 1qf0 n ASP 94 Ca -0.02 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 1qf0 n ASP 94 Cb 0.31 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1qf0 n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qf0 n GLY 95 N 1.31 0.63 1.61 6.12 0.00 -0.70 -4.85 105.19 109.31 1qf0 n GLY 95 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1qf0 n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qf0 n ASN 96 N -0.06 1.57 -3.45 1.61 4.05 -0.59 -4.28 115.26 114.11 1qf0 n ASN 96 Ca 0.00 -2.54 -0.25 0.00 0.45 0.00 0.00 54.58 52.24 1qf0 n ASN 96 Cb 0.03 -0.39 0.05 0.00 1.23 0.00 0.00 39.78 40.70 1qf0 n ASN 96 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1qf0 n ASN 97 N -0.15 -5.84 -4.76 1.20 3.02 -0.01 -4.93 115.26 103.79 1qf0 n ASN 97 Ca 0.12 -0.49 -0.39 0.00 -0.03 0.00 0.00 54.58 53.79 1qf0 n ASN 97 Cb 0.97 -4.66 0.02 0.00 -0.61 0.00 0.00 39.78 35.50 1qf0 n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qf0 s ALA 98 N -3.24 3.05 0.41 5.41 0.00 -1.26 -1.86 121.76 124.27 1qf0 s ALA 98 Ca 0.50 1.32 -0.27 0.00 0.00 0.00 0.00 51.96 53.51 1qf0 s ALA 98 Cb -0.23 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.25 1qf0 s ALA 98 CO 0.61 -1.15 1.47 0.00 0.00 0.00 0.00 175.76 176.68 1qf0 s ALA 99 N -1.29 3.45 -0.23 0.00 0.00 -1.26 -4.59 121.76 117.83 1qf0 s ALA 99 Ca 0.65 1.54 -0.07 0.00 0.00 0.00 0.00 51.96 54.07 1qf0 s ALA 99 Cb -0.40 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.08 1qf0 s ALA 99 CO 0.50 -1.11 0.07 0.42 0.00 0.00 0.00 175.76 175.63 1qf0 s ILE 100 N -1.15 4.43 -0.01 0.00 1.01 -0.67 -5.02 121.20 119.78 1qf0 s ILE 100 Ca 0.56 -0.14 0.08 0.00 0.00 0.00 0.00 60.65 61.15 1qf0 s ILE 100 Cb -0.45 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 1qf0 s ILE 100 CO 0.61 0.36 -0.25 -0.13 0.00 0.00 0.00 174.94 175.53 1qf0 s ARG 101 N 1.34 2.12 0.00 2.79 0.52 -1.26 -0.68 118.95 123.77 1qf0 s ARG 101 Ca 0.05 -0.93 0.00 0.00 -0.52 0.00 0.00 55.73 54.34 1qf0 s ARG 101 Cb -0.15 -2.07 -0.00 0.00 0.52 0.00 0.00 34.95 33.25 1qf0 s ARG 101 CO 0.04 0.56 -0.01 -1.12 0.02 0.00 0.00 175.30 174.79 1qf0 s SER 102 N -0.71 0.09 -0.05 0.23 0.01 -0.55 -1.31 113.70 111.40 1qf0 s SER 102 Ca 0.10 -0.10 0.06 0.00 1.31 0.00 0.00 55.95 57.32 1qf0 s SER 102 Cb -0.10 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.13 1qf0 s SER 102 CO -0.00 -0.05 -0.24 -0.44 0.41 0.00 0.00 173.24 172.91 1qf0 s SER 103 N -0.30 3.13 0.41 2.44 0.01 -0.59 0.06 113.70 118.86 1qf0 s SER 103 Ca -0.03 -0.49 0.07 0.00 1.31 0.00 0.00 55.95 56.81 1qf0 s SER 103 Cb -0.02 -0.78 -0.06 0.00 0.21 0.00 0.00 66.02 65.36 1qf0 s SER 103 CO -0.00 0.26 0.10 0.68 0.41 0.00 0.00 173.24 174.69 1qf0 s VAL 104 N -0.24 2.22 -1.41 3.43 -7.23 -0.26 -1.00 120.40 115.91 1qf0 s VAL 104 Ca -0.01 -1.83 -0.07 0.00 -1.81 0.00 0.00 61.98 58.25 1qf0 s VAL 104 Cb -0.13 -2.98 0.01 0.00 0.56 0.00 0.00 36.38 33.84 1qf0 s VAL 104 CO 0.03 -0.02 0.97 1.41 -0.31 0.00 0.00 175.10 177.18 1qf0 n HIS 105 N -1.11 -2.52 -2.51 2.82 8.25 -1.15 -0.87 115.22 118.13 1qf0 n HIS 105 Ca -0.03 0.83 -0.43 0.00 -0.26 0.00 0.00 57.72 57.83 1qf0 n HIS 105 Cb 0.65 -4.79 -0.02 0.00 1.12 0.00 0.00 29.99 26.95 1qf0 n HIS 105 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1qf0 s TYR 106 N -3.27 3.07 0.00 4.41 5.04 -1.00 0.38 117.35 125.98 1qf0 s TYR 106 Ca 0.48 1.20 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 1qf0 s TYR 106 Cb -0.21 -3.41 0.00 0.00 0.35 0.00 0.00 41.96 38.69 1qf0 s TYR 106 CO 0.59 -1.23 0.00 0.45 -1.34 0.00 0.00 175.55 174.02 1qf0 n SER 107 N 6.21 -4.71 -4.18 4.32 2.88 0.00 -4.39 113.62 113.75 1qf0 n SER 107 Ca 0.13 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.33 1qf0 n SER 107 Cb 0.46 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.76 1qf0 n SER 107 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1qf0 s GLN 108 N 0.00 3.09 -1.43 -1.46 -0.21 -1.25 -4.26 119.66 114.14 1qf0 s GLN 108 Ca 0.00 -0.79 -0.09 0.00 0.02 0.00 0.00 55.36 54.50 1qf0 s GLN 108 Cb 0.00 -2.64 0.03 0.00 1.00 0.00 0.00 33.01 31.40 1qf0 s GLN 108 CO 0.00 -0.15 1.03 0.41 -2.12 0.00 0.00 175.29 174.46 1qf0 n GLY 109 N 4.51 -0.53 3.63 3.09 0.00 -1.26 -4.94 105.19 109.68 1qf0 n GLY 109 Ca -0.20 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1qf0 n GLY 109 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qf0 s TYR 110 N -3.28 3.24 -1.27 1.61 5.04 -1.26 -4.15 117.35 117.28 1qf0 s TYR 110 Ca 0.55 1.04 -0.05 0.00 -2.44 0.00 0.00 57.07 56.17 1qf0 s TYR 110 Cb -0.25 -3.23 0.16 0.00 0.35 0.00 0.00 41.96 38.99 1qf0 s TYR 110 CO 0.68 -0.53 2.25 0.09 -1.34 0.00 0.00 175.55 176.70 1qf0 n ASN 111 N 6.24 7.76 -3.64 4.32 3.02 -1.26 -1.25 115.26 130.44 1qf0 n ASN 111 Ca 0.06 -3.24 -0.01 0.00 -0.03 0.00 0.00 54.58 51.37 1qf0 n ASN 111 Cb 0.48 -1.33 -0.00 0.00 -0.61 0.00 0.00 39.78 38.31 1qf0 n ASN 111 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1qf0 s ASN 112 N 0.08 -0.08 0.02 6.41 3.84 -1.26 -5.02 114.94 118.92 1qf0 s ASN 112 Ca 0.50 -0.32 -0.13 0.00 0.21 0.00 0.00 52.86 53.13 1qf0 s ASN 112 Cb 0.18 0.33 0.02 0.00 -0.55 0.00 0.00 41.25 41.22 1qf0 s ASN 112 CO -0.09 -0.62 0.27 0.00 -2.79 0.00 0.00 177.10 173.87 1qf0 s ALA 113 N -2.64 -0.62 0.14 1.71 0.00 -1.26 -1.16 121.76 117.94 1qf0 s ALA 113 Ca 0.16 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.91 1qf0 s ALA 113 Cb 0.01 0.21 0.07 0.00 0.00 0.00 0.00 23.12 23.41 1qf0 s ALA 113 CO 0.00 -0.33 0.85 -0.59 0.00 0.00 0.00 175.76 175.69 1qf0 s PHE 114 N -2.04 -0.25 -0.21 0.00 -0.71 -0.33 -4.98 117.98 109.47 1qf0 s PHE 114 Ca -0.09 -0.04 -0.07 0.00 -1.04 0.00 0.00 56.93 55.70 1qf0 s PHE 114 Cb -0.03 0.62 -0.03 0.00 -1.21 0.00 0.00 43.02 42.37 1qf0 s PHE 114 CO -0.00 -0.84 0.05 -0.46 -1.34 0.00 0.00 175.22 172.62 1qf0 s TRP 115 N -3.43 3.12 -1.38 3.49 -0.11 -1.26 -0.18 118.94 119.19 1qf0 s TRP 115 Ca 0.09 -0.24 0.18 0.00 1.22 0.00 0.00 56.10 57.35 1qf0 s TRP 115 Cb -0.02 -2.13 0.58 0.00 -1.50 0.00 0.00 33.47 30.40 1qf0 s TRP 115 CO -0.01 -0.13 1.50 0.27 -4.62 0.00 0.00 176.95 173.95 1qf0 n ASN 116 N 4.20 3.96 0.00 5.86 6.94 -0.41 -4.90 115.26 130.90 1qf0 n ASN 116 Ca -0.17 -2.19 0.00 0.00 -0.02 0.00 0.00 54.58 52.21 1qf0 n ASN 116 Cb 0.52 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 1qf0 n ASN 116 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qf0 n GLY 117 N 1.11 0.63 0.00 4.83 0.00 -1.26 -4.79 105.19 105.72 1qf0 n GLY 117 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1qf0 n GLY 117 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qf0 n SER 118 N 0.00 1.43 -3.55 1.61 7.64 -1.26 -5.13 113.62 114.35 1qf0 n SER 118 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1qf0 n SER 118 Cb 0.00 0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.26 1qf0 n SER 118 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1qf0 s GLU 119 N -1.32 1.86 0.07 1.43 -1.05 -1.26 -4.73 118.70 113.71 1qf0 s GLU 119 Ca 0.00 -1.30 -0.03 0.00 -0.15 0.00 0.00 54.97 53.49 1qf0 s GLU 119 Cb 0.00 0.55 -0.05 0.00 -0.44 0.00 0.00 34.13 34.19 1qf0 s GLU 119 CO 0.00 -0.83 0.28 -1.64 0.95 0.00 0.00 175.26 174.02 1qf0 s MET 120 N -3.38 3.54 -0.01 -4.83 -1.94 -0.43 -1.29 119.30 110.96 1qf0 s MET 120 Ca 0.18 -0.22 0.01 0.00 -1.71 0.00 0.00 55.69 53.96 1qf0 s MET 120 Cb -0.03 -2.99 0.00 0.00 2.01 0.00 0.00 34.83 33.82 1qf0 s MET 120 CO 0.11 0.58 -0.05 0.08 -0.01 0.00 0.00 175.02 175.73 1qf0 s VAL 121 N -1.49 0.41 -0.06 -6.03 1.01 0.74 -1.54 120.40 113.45 1qf0 s VAL 121 Ca 0.35 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1qf0 s VAL 121 Cb -0.13 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.89 1qf0 s VAL 121 CO 0.23 0.13 -0.11 -0.31 0.00 0.00 0.00 175.10 175.05 1qf0 s TYR 122 N 0.13 1.29 0.62 5.22 2.02 -0.17 -1.18 117.35 125.28 1qf0 s TYR 122 Ca -0.01 -0.44 -0.03 0.00 -0.37 0.00 0.00 57.07 56.21 1qf0 s TYR 122 Cb -0.05 -0.96 0.04 0.00 -0.40 0.00 0.00 41.96 40.59 1qf0 s TYR 122 CO -0.00 -0.24 0.90 0.20 -1.57 0.00 0.00 175.55 174.84 1qf0 s GLY 123 N 0.63 1.72 0.00 0.71 0.00 -0.31 -2.38 107.32 107.70 1qf0 s GLY 123 Ca -0.12 -1.05 0.26 0.00 0.00 0.00 0.00 44.72 43.80 1qf0 s GLY 123 CO 0.03 -0.71 1.51 1.22 0.00 0.00 0.00 173.10 175.14 1qf0 n ASP 124 N -2.64 1.05 -0.32 1.64 8.00 -1.22 -2.73 116.55 120.35 1qf0 n ASP 124 Ca 0.07 -0.88 0.04 0.00 0.71 0.00 0.00 54.79 54.73 1qf0 n ASP 124 Cb 0.60 0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.86 1qf0 n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qf0 n GLY 125 N 1.36 -2.52 0.87 0.44 0.00 -0.38 -1.12 105.19 103.83 1qf0 n GLY 125 Ca 0.11 -1.38 0.08 0.00 0.00 0.00 0.00 46.02 44.84 1qf0 n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qf0 n ASP 126 N -2.66 2.53 0.00 1.61 5.68 -1.11 -4.25 116.55 118.34 1qf0 n ASP 126 Ca -0.02 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 1qf0 n ASP 126 Cb 0.15 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 1qf0 n ASP 126 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qf0 n GLY 127 N 1.27 2.17 0.86 6.12 0.00 0.34 -4.77 105.19 111.18 1qf0 n GLY 127 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1qf0 n GLY 127 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qf0 n GLN 128 N -2.00 0.10 -0.00 1.61 6.02 -1.26 -4.74 117.38 117.11 1qf0 n GLN 128 Ca 0.00 0.04 -0.18 0.00 -0.01 0.00 0.00 57.00 56.86 1qf0 n GLN 128 Cb 0.00 -0.68 -0.09 0.00 1.02 0.00 0.00 30.24 30.49 1qf0 n GLN 128 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1qf0 h THR 129 N -0.19 1.34 -3.60 5.09 2.02 -1.94 -3.32 112.91 112.30 1qf0 h THR 129 Ca -0.02 -2.01 -0.12 0.00 0.77 0.00 0.00 66.41 65.03 1qf0 h THR 129 Cb 0.30 2.28 -0.18 0.00 -1.74 0.00 0.00 68.15 68.81 1qf0 h THR 129 CO -0.01 0.61 -0.44 -0.36 0.37 0.00 0.00 175.52 175.69 1qf0 s PHE 130 N -3.51 0.09 0.41 3.16 0.08 -1.26 0.54 117.98 117.49 1qf0 s PHE 130 Ca -0.12 -0.30 0.08 0.00 0.12 0.00 0.00 56.93 56.71 1qf0 s PHE 130 Cb 0.06 -0.06 -0.01 0.00 -0.57 0.00 0.00 43.02 42.44 1qf0 s PHE 130 CO 0.86 -0.39 0.44 0.96 -0.10 0.00 0.00 175.22 177.00 1qf0 s ILE 131 N -2.36 2.85 -0.48 0.64 -4.36 -0.72 -0.50 121.20 116.27 1qf0 s ILE 131 Ca -0.07 -1.21 -0.44 0.00 -0.26 0.00 0.00 60.65 58.67 1qf0 s ILE 131 Cb -0.02 -3.02 -0.19 0.00 1.25 0.00 0.00 42.46 40.48 1qf0 s ILE 131 CO -0.03 -0.01 1.79 -2.65 0.24 0.00 0.00 174.94 174.28 1qf0 n PRO 132 N -1.65 0.00 0.21 0.37 -0.02 -0.28 -4.41 135.00 129.22 1qf0 n PRO 132 Ca 0.05 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.71 1qf0 n PRO 132 Cb 0.61 -1.45 0.84 0.00 -0.02 0.00 0.00 33.50 33.48 1qf0 n PRO 132 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1qf0 h LEU 133 N 6.66 0.00 0.00 2.45 4.07 -1.76 -1.51 115.31 125.22 1qf0 h LEU 133 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.69 1qf0 h LEU 133 Cb 1.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.09 1qf0 h LEU 133 CO 1.00 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 176.82 1qf0 n SER 134 N -3.54 0.00 0.00 -0.43 3.41 -1.26 -2.73 113.62 109.07 1qf0 n SER 134 Ca 0.02 -0.12 0.10 0.00 -0.26 0.00 0.00 58.87 58.60 1qf0 n SER 134 Cb 0.39 -0.24 0.46 0.00 -0.26 0.00 0.00 64.21 64.55 1qf0 n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qf0 n GLY 135 N 0.53 -1.12 3.40 5.00 0.00 -0.57 -4.20 105.19 108.23 1qf0 n GLY 135 Ca 0.11 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1qf0 n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qf0 s GLY 136 N -2.86 1.66 0.33 -0.02 0.00 -1.11 -4.83 107.32 100.50 1qf0 s GLY 136 Ca 0.13 -1.02 0.09 0.00 0.00 0.00 0.00 44.72 43.92 1qf0 s GLY 136 CO 0.35 0.23 1.76 1.19 0.00 0.00 0.00 173.10 176.63 1qf0 h ILE 137 N 5.47 1.29 0.00 0.90 2.10 -1.89 -2.20 117.51 123.18 1qf0 h ILE 137 Ca -0.36 -1.37 -0.02 0.00 1.08 0.00 0.00 64.86 64.18 1qf0 h ILE 137 Cb 1.18 1.64 -0.00 0.00 -1.09 0.00 0.00 36.82 38.54 1qf0 h ILE 137 CO 0.60 0.41 -0.12 -2.24 -1.08 0.00 0.00 178.15 175.72 1qf0 h ASP 138 N 0.14 0.00 0.03 2.19 3.04 -1.95 -1.04 116.42 118.83 1qf0 h ASP 138 Ca 0.01 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.80 1qf0 h ASP 138 Cb 0.72 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.01 1qf0 h ASP 138 CO 0.05 0.12 -0.01 0.58 -2.04 0.00 0.00 179.24 177.94 1qf0 h VAL 139 N 0.00 1.40 -0.44 4.15 2.07 -1.71 -1.59 116.25 120.14 1qf0 h VAL 139 Ca -0.00 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 1qf0 h VAL 139 Cb 0.53 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1qf0 h VAL 139 CO 0.02 0.38 0.27 0.58 0.02 0.00 0.00 177.57 178.83 1qf0 h VAL 140 N -0.72 1.13 -0.34 2.57 2.07 -1.23 -1.19 116.25 118.54 1qf0 h VAL 140 Ca -0.00 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 1qf0 h VAL 140 Cb 0.65 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1qf0 h VAL 140 CO 0.01 0.13 -0.14 0.00 0.02 0.00 0.00 177.57 177.59 1qf0 h ALA 141 N 1.13 1.11 -0.18 1.67 0.00 -1.29 -1.39 119.26 120.31 1qf0 h ALA 141 Ca 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1qf0 h ALA 141 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1qf0 h ALA 141 CO -0.03 0.55 0.11 1.25 0.00 0.00 0.00 179.25 181.13 1qf0 h HIS 142 N 0.55 0.25 -0.29 0.00 6.17 -0.78 -0.97 115.15 120.08 1qf0 h HIS 142 Ca 0.10 -0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.12 1qf0 h HIS 142 Cb 0.57 -0.08 -0.01 0.00 2.52 0.00 0.00 27.41 30.41 1qf0 h HIS 142 CO 0.02 0.21 -0.01 0.93 0.71 0.00 0.00 177.93 179.80 1qf0 h GLU 143 N 0.21 0.52 -0.19 5.26 4.39 -1.01 -3.02 114.58 120.74 1qf0 h GLU 143 Ca 0.07 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 1qf0 h GLU 143 Cb 0.04 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1qf0 h GLU 143 CO -0.01 0.67 -0.17 1.25 -1.16 0.00 0.00 179.01 179.60 1qf0 h LEU 144 N 0.31 0.30 -1.89 1.33 5.85 -1.23 -1.72 115.31 118.26 1qf0 h LEU 144 Ca 0.08 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1qf0 h LEU 144 Cb 0.44 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1qf0 h LEU 144 CO 0.02 0.49 -0.12 0.74 -0.34 0.00 0.00 178.44 179.22 1qf0 h THR 145 N 0.29 0.82 -0.32 1.05 2.02 -1.06 -0.63 112.91 115.08 1qf0 h THR 145 Ca 0.05 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.70 1qf0 h THR 145 Cb 0.47 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1qf0 h THR 145 CO 0.03 0.12 -0.06 0.45 0.37 0.00 0.00 175.52 176.43 1qf0 h HIS 146 N 0.00 0.53 -0.30 3.16 3.86 -1.19 -0.13 115.15 121.10 1qf0 h HIS 146 Ca -0.00 -0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.10 1qf0 h HIS 146 Cb 0.27 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1qf0 h HIS 146 CO 0.00 0.57 0.01 0.00 0.86 0.00 0.00 177.93 179.37 1qf0 h ALA 147 N 1.46 0.40 -0.49 2.45 0.00 -1.13 0.43 119.26 122.38 1qf0 h ALA 147 Ca 0.10 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1qf0 h ALA 147 Cb 0.40 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1qf0 h ALA 147 CO 0.02 0.13 0.30 0.28 0.00 0.00 0.00 179.25 179.98 1qf0 h VAL 148 N 0.31 1.08 -0.83 0.00 2.07 -1.05 -2.12 116.25 115.70 1qf0 h VAL 148 Ca 0.09 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1qf0 h VAL 148 Cb 0.41 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1qf0 h VAL 148 CO 0.01 0.11 0.48 0.74 0.02 0.00 0.00 177.57 178.94 1qf0 h THR 149 N 0.61 1.24 -0.88 2.57 2.02 -0.82 -2.10 112.91 115.54 1qf0 h THR 149 Ca 0.19 -0.54 0.06 0.00 0.77 0.00 0.00 66.41 66.89 1qf0 h THR 149 Cb -0.01 0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 66.43 1qf0 h THR 149 CO -0.07 0.25 0.55 0.44 0.37 0.00 0.00 175.52 177.06 1qf0 h ASP 150 N 1.14 0.86 0.31 4.18 5.19 -0.27 0.93 116.42 128.76 1qf0 h ASP 150 Ca 0.30 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 1qf0 h ASP 150 Cb -0.02 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.33 1qf0 h ASP 150 CO -0.05 0.55 -0.16 -1.22 -3.12 0.00 0.00 179.24 175.24 1qf0 n TYR 151 N -4.61 0.00 0.00 4.55 4.02 -0.93 -4.35 117.16 115.84 1qf0 n TYR 151 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1qf0 n TYR 151 Cb 0.18 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 1qf0 n TYR 151 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1qf0 n THR 152 N -0.83 0.00 -0.16 -0.72 -2.24 -0.81 -4.93 114.28 104.59 1qf0 n THR 152 Ca 0.14 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1qf0 n THR 152 Cb 0.30 -0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.78 1qf0 n THR 152 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qf0 h ALA 153 N 0.55 1.40 -2.16 6.98 0.00 -1.54 -3.47 119.26 121.03 1qf0 h ALA 153 Ca 0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 1qf0 h ALA 153 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1qf0 h ALA 153 CO 0.00 0.49 -0.34 0.41 0.00 0.00 0.00 179.25 179.81 1qf0 n GLY 154 N -1.23 -0.13 3.60 0.00 0.00 0.26 -1.31 105.19 106.38 1qf0 n GLY 154 Ca 0.06 -0.31 -0.54 0.00 0.00 0.00 0.00 46.02 45.23 1qf0 n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qf0 n LEU 155 N -2.06 2.38 -4.71 0.99 4.77 -1.26 -4.25 117.00 112.87 1qf0 n LEU 155 Ca -0.13 0.82 -0.43 0.00 -0.03 0.00 0.00 56.01 56.24 1qf0 n LEU 155 Cb 0.60 -1.20 -0.02 0.00 -2.33 0.00 0.00 43.42 40.47 1qf0 n LEU 155 CO 0.21 -0.49 1.20 -0.38 -1.33 0.00 0.00 177.39 176.61 1qf0 n ILE 156 N 5.67 0.68 -1.11 -0.08 5.41 -0.25 -4.79 119.36 124.88 1qf0 n ILE 156 Ca 0.32 -0.17 -0.30 0.00 1.00 0.00 0.00 62.75 63.60 1qf0 n ILE 156 Cb 0.18 -1.79 -0.05 0.00 -0.71 0.00 0.00 39.64 37.27 1qf0 n ILE 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qf0 n TYR 157 N 2.59 1.74 -3.52 1.39 9.36 -1.26 -1.73 117.16 125.72 1qf0 n TYR 157 Ca 0.12 -2.52 -0.15 0.00 3.32 0.00 0.00 57.90 58.67 1qf0 n TYR 157 Cb 0.34 -2.13 -0.05 0.00 -0.63 0.00 0.00 39.34 36.87 1qf0 n TYR 157 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 1qf0 s GLN 158 N 2.26 0.94 4.78 2.98 -2.07 -1.26 -4.83 119.66 122.46 1qf0 s GLN 158 Ca 0.61 0.11 0.00 0.00 -1.82 0.00 0.00 55.36 54.26 1qf0 s GLN 158 Cb 0.18 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.55 1qf0 s GLN 158 CO -0.04 -0.32 0.00 0.09 -1.32 0.00 0.00 175.29 173.70 1qf0 n ASN 159 N 0.63 0.00 -0.14 12.60 3.02 -0.08 -1.82 115.26 129.47 1qf0 n ASN 159 Ca -0.16 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.31 1qf0 n ASN 159 Cb 0.58 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.81 1qf0 n ASN 159 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1qf0 h GLU 160 N 0.00 0.92 0.00 3.52 5.08 -1.90 -1.68 114.58 120.52 1qf0 h GLU 160 Ca 0.00 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 57.93 1qf0 h GLU 160 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1qf0 h GLU 160 CO 0.00 1.00 -0.40 0.66 -1.00 0.00 0.00 179.01 179.26 1qf0 h SER 161 N 0.82 0.00 0.22 1.42 4.64 -1.56 -1.82 113.55 117.27 1qf0 h SER 161 Ca 0.13 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.26 1qf0 h SER 161 Cb 0.68 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1qf0 h SER 161 CO 0.05 0.40 -0.74 1.23 -0.87 0.00 0.00 176.83 176.90 1qf0 h GLY 162 N 1.25 0.49 1.52 -0.77 0.00 -0.55 -0.89 103.07 104.12 1qf0 h GLY 162 Ca -0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 47.33 46.51 1qf0 h GLY 162 CO 0.05 0.61 -0.39 0.00 0.00 0.00 0.00 176.54 176.81 1qf0 h ALA 163 N 0.90 0.89 -0.19 3.60 0.00 -1.00 -0.77 119.26 122.68 1qf0 h ALA 163 Ca -0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1qf0 h ALA 163 Cb 1.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1qf0 h ALA 163 CO 0.13 0.63 -0.04 0.82 0.00 0.00 0.00 179.25 180.79 1qf0 h ILE 164 N 0.44 1.28 -0.40 0.00 2.04 -1.22 0.06 117.51 119.70 1qf0 h ILE 164 Ca 0.04 -1.00 0.08 0.00 1.00 0.00 0.00 64.86 64.98 1qf0 h ILE 164 Cb 0.88 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 38.44 1qf0 h ILE 164 CO 0.07 0.30 -0.04 -1.13 0.00 0.00 0.00 178.15 177.36 1qf0 h ASN 165 N 0.09 -0.25 -0.43 1.72 -0.73 -0.96 0.66 115.58 115.68 1qf0 h ASN 165 Ca 0.05 0.11 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 1qf0 h ASN 165 Cb 0.48 0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.25 1qf0 h ASN 165 CO 0.02 -0.08 0.16 -0.33 -0.37 0.00 0.00 177.43 176.82 1qf0 h GLU 166 N 0.06 0.65 -0.69 6.67 4.39 -1.01 -2.75 114.58 121.91 1qf0 h GLU 166 Ca 0.20 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1qf0 h GLU 166 Cb 0.29 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 1qf0 h GLU 166 CO -0.37 0.62 0.36 0.00 -1.16 0.00 0.00 179.01 178.46 1qf0 h ALA 167 N 1.01 0.89 -0.73 3.43 0.00 -0.28 -1.49 119.26 122.09 1qf0 h ALA 167 Ca 0.14 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1qf0 h ALA 167 Cb 0.22 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1qf0 h ALA 167 CO -0.01 0.42 0.43 0.82 0.00 0.00 0.00 179.25 180.91 1qf0 h ILE 168 N 0.95 1.01 -0.54 0.00 1.08 -0.79 0.34 117.51 119.56 1qf0 h ILE 168 Ca 0.24 -0.27 -0.08 0.00 -0.39 0.00 0.00 64.86 64.36 1qf0 h ILE 168 Cb 0.07 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 33.93 1qf0 h ILE 168 CO -0.04 0.15 0.02 0.28 -0.69 0.00 0.00 178.15 177.87 1qf0 h SER 169 N 0.80 0.87 -0.27 1.72 0.02 -1.13 -0.00 113.55 115.56 1qf0 h SER 169 Ca 0.32 -0.22 -0.13 0.00 -0.84 0.00 0.00 61.79 60.93 1qf0 h SER 169 Cb 0.16 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1qf0 h SER 169 CO -0.17 0.92 -0.32 0.44 -1.14 0.00 0.00 176.83 176.56 1qf0 h ASP 170 N 0.84 0.76 0.36 3.07 3.32 -0.25 0.47 116.42 124.99 1qf0 h ASP 170 Ca 0.16 -0.49 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 1qf0 h ASP 170 Cb 0.47 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1qf0 h ASP 170 CO 0.02 1.10 -0.17 0.40 -1.72 0.00 0.00 179.24 178.87 1qf0 h ILE 171 N 0.44 0.66 0.00 0.35 2.04 -0.16 -0.74 117.51 120.09 1qf0 h ILE 171 Ca 0.04 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 1qf0 h ILE 171 Cb 0.90 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1qf0 h ILE 171 CO 0.08 0.03 -0.34 -0.26 0.00 0.00 0.00 178.15 177.65 1qf0 h PHE 172 N -0.55 0.00 -0.52 1.37 0.04 -1.06 -1.17 116.94 115.05 1qf0 h PHE 172 Ca -0.05 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.63 1qf0 h PHE 172 Cb 0.41 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 1qf0 h PHE 172 CO -0.03 0.34 -0.03 0.78 -0.60 0.00 0.00 178.31 178.77 1qf0 h GLY 173 N 1.75 0.98 1.09 -1.45 0.00 -0.66 -1.02 103.07 103.76 1qf0 h GLY 173 Ca -0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 47.33 46.45 1qf0 h GLY 173 CO 0.04 0.65 -0.50 -0.84 0.00 0.00 0.00 176.54 175.90 1qf0 h THR 174 N 0.84 1.29 -0.31 4.70 2.02 -0.75 -2.18 112.91 118.50 1qf0 h THR 174 Ca 0.15 -1.69 -0.05 0.00 0.77 0.00 0.00 66.41 65.59 1qf0 h THR 174 Cb 0.54 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 1qf0 h THR 174 CO 0.03 0.55 -0.04 -0.07 0.37 0.00 0.00 175.52 176.35 1qf0 h LEU 175 N 0.57 0.47 -0.48 2.58 3.38 -1.00 -1.04 115.31 119.79 1qf0 h LEU 175 Ca 0.01 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 1qf0 h LEU 175 Cb 1.10 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1qf0 h LEU 175 CO 0.11 0.57 -0.41 0.58 0.09 0.00 0.00 178.44 179.38 1qf0 h VAL 176 N 0.47 1.28 -0.73 1.22 2.07 -1.14 -0.34 116.25 119.09 1qf0 h VAL 176 Ca 0.10 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 1qf0 h VAL 176 Cb 0.37 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1qf0 h VAL 176 CO 0.02 0.52 0.42 -0.08 0.02 0.00 0.00 177.57 178.47 1qf0 h GLU 177 N 0.65 0.99 -0.48 1.57 4.81 -0.68 0.31 114.58 121.76 1qf0 h GLU 177 Ca 0.05 -0.10 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1qf0 h GLU 177 Cb 0.98 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1qf0 h GLU 177 CO 0.09 0.72 -0.23 0.74 -0.73 0.00 0.00 179.01 179.60 1qf0 h PHE 178 N 0.99 1.15 -0.30 0.92 0.04 -1.13 -0.47 116.94 118.15 1qf0 h PHE 178 Ca 0.26 -0.29 0.03 0.00 2.80 0.00 0.00 57.97 60.77 1qf0 h PHE 178 Cb -0.01 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.85 1qf0 h PHE 178 CO -0.01 1.12 0.13 -0.92 -0.60 0.00 0.00 178.31 178.03 1qf0 h TYR 179 N 0.86 0.23 0.00 -0.55 3.20 -0.34 -0.17 116.97 120.20 1qf0 h TYR 179 Ca 0.11 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1qf0 h TYR 179 Cb 0.81 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.02 1qf0 h TYR 179 CO 0.05 0.12 0.00 0.00 -1.64 0.00 0.00 178.16 176.69 1qf0 h ALA 180 N 1.17 1.00 -5.91 1.82 0.00 -0.93 -3.47 119.26 112.95 1qf0 h ALA 180 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.64 1qf0 h ALA 180 Cb 0.07 0.00 0.11 0.00 0.00 0.00 0.00 17.79 17.97 1qf0 h ALA 180 CO -0.11 0.00 -0.72 -1.71 0.00 0.00 0.00 179.25 176.71 1qf0 n ASN 181 N -2.54 -4.89 -4.45 0.00 5.15 -0.08 -4.93 115.26 103.53 1qf0 n ASN 181 Ca 0.03 -0.62 -0.44 0.00 -0.60 0.00 0.00 54.58 52.96 1qf0 n ASN 181 Cb 0.37 -4.79 -0.00 0.00 -0.53 0.00 0.00 39.78 34.83 1qf0 n ASN 181 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1qf0 s LYS 182 N -6.16 4.01 -1.26 1.20 1.02 -0.90 -4.54 119.74 113.11 1qf0 s LYS 182 Ca 0.44 -2.48 -0.27 0.00 0.02 0.00 0.00 55.97 53.68 1qf0 s LYS 182 Cb -0.20 -5.00 0.03 0.00 -0.52 0.00 0.00 37.83 32.14 1qf0 s LYS 182 CO 0.75 -1.73 0.59 0.09 -0.92 0.00 0.00 175.35 174.13 1qf0 n ASN 183 N 5.60 -3.39 -4.74 2.83 3.02 -1.26 -4.82 115.26 112.50 1qf0 n ASN 183 Ca 0.33 -1.26 -0.37 0.00 -0.03 0.00 0.00 54.58 53.26 1qf0 n ASN 183 Cb 0.44 -1.90 0.06 0.00 -0.61 0.00 0.00 39.78 37.77 1qf0 n ASN 183 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1qf0 s PRO 184 N -7.25 2.62 0.31 3.52 0.04 -1.26 -5.03 135.00 127.94 1qf0 s PRO 184 Ca 0.41 1.99 -0.18 0.00 0.04 0.00 0.00 61.00 63.26 1qf0 s PRO 184 Cb -0.21 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.53 1qf0 s PRO 184 CO 0.96 -1.52 0.90 0.16 0.04 0.00 0.00 177.00 177.53 1qf0 s ASP 185 N -1.47 0.01 -0.30 6.66 1.47 -1.26 -5.03 116.67 116.75 1qf0 s ASP 185 Ca 0.81 -0.97 0.10 0.00 1.18 0.00 0.00 52.55 53.68 1qf0 s ASP 185 Cb -0.35 0.71 0.62 0.00 -0.34 0.00 0.00 42.92 43.56 1qf0 s ASP 185 CO 0.38 -1.41 1.64 0.79 0.68 0.00 0.00 175.17 177.25 1qf0 n TRP 186 N -0.61 1.81 -4.02 2.11 7.02 -1.26 -4.91 117.44 117.58 1qf0 n TRP 186 Ca -0.06 -1.33 -0.28 0.00 -1.02 0.00 0.00 57.50 54.82 1qf0 n TRP 186 Cb 0.60 -0.58 -0.05 0.00 -2.42 0.00 0.00 31.31 28.86 1qf0 n TRP 186 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1qf0 s GLU 187 N -3.07 3.11 -0.23 -0.99 0.41 -1.26 -0.40 118.70 116.27 1qf0 s GLU 187 Ca 0.50 -0.71 -0.03 0.00 -0.41 0.00 0.00 54.97 54.31 1qf0 s GLU 187 Cb 0.41 -2.80 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 1qf0 s GLU 187 CO 0.08 0.53 -0.05 0.42 -0.49 0.00 0.00 175.26 175.75 1qf0 s ILE 188 N -1.65 3.22 -0.03 -1.63 -1.09 0.31 -4.68 121.20 115.66 1qf0 s ILE 188 Ca 0.32 -0.66 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 1qf0 s ILE 188 Cb -0.11 -2.52 0.00 0.00 -1.58 0.00 0.00 42.46 38.25 1qf0 s ILE 188 CO 0.25 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.92 1qf0 n GLY 189 N 4.76 0.44 0.28 6.18 0.00 -1.26 -0.87 105.19 114.72 1qf0 n GLY 189 Ca -0.18 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.25 1qf0 n GLY 189 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1qf0 h GLU 190 N 0.33 0.00 0.00 1.61 9.09 -1.83 -0.98 114.58 122.80 1qf0 h GLU 190 Ca -0.01 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.34 1qf0 h GLU 190 Cb 0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.11 1qf0 h GLU 190 CO 0.01 0.01 -0.30 -0.44 0.05 0.00 0.00 179.01 178.34 1qf0 h ASP 191 N 0.00 0.00 -0.00 3.06 3.32 -1.92 -3.35 116.42 117.53 1qf0 h ASP 191 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qf0 h ASP 191 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1qf0 h ASP 191 CO 0.00 0.30 -0.01 1.33 -1.72 0.00 0.00 179.24 179.13 1qf0 n VAL 192 N -3.23 0.00 -3.05 -1.35 0.24 -1.01 -4.86 118.33 105.06 1qf0 n VAL 192 Ca 0.02 -0.49 -0.39 0.00 -2.04 0.00 0.00 64.34 61.43 1qf0 n VAL 192 Cb 0.60 1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 33.91 1qf0 n VAL 192 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1qf0 s TYR 193 N -0.82 3.80 -0.34 6.34 5.04 -0.40 -1.76 117.35 129.20 1qf0 s TYR 193 Ca 0.00 1.46 -0.30 0.00 -2.44 0.00 0.00 57.07 55.80 1qf0 s TYR 193 Cb 0.00 -2.73 0.04 0.00 0.35 0.00 0.00 41.96 39.63 1qf0 s TYR 193 CO 0.01 0.41 0.50 0.25 -1.34 0.00 0.00 175.55 175.39 1qf0 n THR 194 N 2.23 -2.87 0.29 4.34 -2.24 0.19 -4.81 114.28 111.41 1qf0 n THR 194 Ca -0.05 0.05 0.17 0.00 -2.27 0.00 0.00 64.05 61.95 1qf0 n THR 194 Cb 0.50 -2.62 0.92 0.00 -2.10 0.00 0.00 70.33 67.03 1qf0 n THR 194 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1qf0 h PRO 195 N 1.57 0.00 0.00 -0.78 0.13 -1.81 -1.95 132.00 129.16 1qf0 h PRO 195 Ca -0.43 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1qf0 h PRO 195 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1qf0 h PRO 195 CO 0.17 0.00 -0.65 0.78 -0.23 0.00 0.00 178.00 178.07 1qf0 h GLY 196 N 0.00 0.00 -5.92 1.56 0.00 -1.87 -3.45 103.07 93.39 1qf0 h GLY 196 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 1qf0 h GLY 196 CO 0.00 0.00 -0.73 -0.42 0.00 0.00 0.00 176.54 175.39 1qf0 s ILE 197 N -3.18 3.35 0.19 2.60 1.01 -0.73 -5.11 121.20 119.32 1qf0 s ILE 197 Ca 0.02 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1qf0 s ILE 197 Cb 0.08 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1qf0 s ILE 197 CO 0.75 0.50 0.36 -0.44 0.00 0.00 0.00 174.94 176.10 1qf0 s SER 198 N 0.58 6.36 0.00 3.58 0.01 -1.26 -4.44 113.70 118.53 1qf0 s SER 198 Ca -0.06 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1qf0 s SER 198 Cb -0.15 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1qf0 s SER 198 CO 0.03 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1qf0 n GLY 199 N -0.67 0.58 3.86 3.44 0.00 -1.26 -5.03 105.19 106.10 1qf0 n GLY 199 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 1qf0 n GLY 199 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1qf0 s ASP 200 N -2.30 4.59 0.27 1.61 -4.77 -1.26 -5.16 116.67 109.65 1qf0 s ASP 200 Ca 0.00 -1.20 -0.20 0.00 -3.30 0.00 0.00 52.55 47.85 1qf0 s ASP 200 Cb 0.00 0.15 0.02 0.00 -1.09 0.00 0.00 42.92 42.00 1qf0 s ASP 200 CO 0.00 -0.93 0.68 -0.94 0.70 0.00 0.00 175.17 174.68 1qf0 s SER 201 N -4.15 -0.23 -0.02 2.11 1.04 -1.26 -4.51 113.70 106.68 1qf0 s SER 201 Ca 0.34 -0.67 -0.25 0.00 0.48 0.00 0.00 55.95 55.85 1qf0 s SER 201 Cb -0.01 0.70 -0.19 0.00 0.10 0.00 0.00 66.02 66.62 1qf0 s SER 201 CO 0.20 -1.31 1.26 0.25 0.98 0.00 0.00 173.24 174.62 1qf0 h LEU 202 N 2.05 -0.05 -8.75 2.42 5.85 -1.23 -3.47 115.31 112.13 1qf0 h LEU 202 Ca -0.20 -0.43 -0.31 0.00 0.84 0.00 0.00 57.88 57.78 1qf0 h LEU 202 Cb 1.25 0.01 -0.15 0.00 0.37 0.00 0.00 40.66 42.15 1qf0 h LEU 202 CO 0.25 0.41 -0.63 -0.13 -0.34 0.00 0.00 178.44 178.01 1qf0 s ARG 203 N -4.32 1.26 -0.03 1.25 0.52 -1.08 -4.93 118.95 111.64 1qf0 s ARG 203 Ca -0.15 -1.66 0.02 0.00 -0.52 0.00 0.00 55.73 53.41 1qf0 s ARG 203 Cb 0.02 -0.16 0.01 0.00 0.52 0.00 0.00 34.95 35.34 1qf0 s ARG 203 CO 0.65 -0.26 -0.05 0.45 0.02 0.00 0.00 175.30 176.11 1qf0 s SER 204 N -3.24 0.85 -0.08 0.23 0.15 -1.26 -0.53 113.70 109.82 1qf0 s SER 204 Ca 0.33 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1qf0 s SER 204 Cb 0.07 -0.28 -0.25 0.00 -1.71 0.00 0.00 66.02 63.85 1qf0 s SER 204 CO 0.10 0.01 0.51 0.24 1.20 0.00 0.00 173.24 175.30 1qf0 h MET 205 N 6.62 0.17 -0.60 5.44 2.86 -1.06 -2.98 114.93 125.38 1qf0 h MET 205 Ca -0.34 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 56.93 1qf0 h MET 205 Cb 1.17 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.91 1qf0 h MET 205 CO 0.49 0.95 0.10 0.66 1.06 0.00 0.00 176.91 180.18 1qf0 h SER 206 N 0.05 0.91 -1.68 1.22 4.64 -1.87 -3.33 113.55 113.48 1qf0 h SER 206 Ca -0.36 -0.20 -0.33 0.00 -0.47 0.00 0.00 61.79 60.43 1qf0 h SER 206 Cb 2.03 -0.24 -0.27 0.00 -0.31 0.00 0.00 62.40 63.61 1qf0 h SER 206 CO 0.09 0.91 -0.68 -0.62 -0.87 0.00 0.00 176.83 175.66 1qf0 s ASP 207 N -6.55 0.20 0.27 4.97 2.15 -1.26 -5.01 116.67 111.45 1qf0 s ASP 207 Ca -0.11 -1.92 0.00 0.00 0.43 0.00 0.00 52.55 50.96 1qf0 s ASP 207 Cb 0.15 0.84 0.54 0.00 -0.30 0.00 0.00 42.92 44.15 1qf0 s ASP 207 CO 0.83 -0.17 1.80 -0.65 -0.17 0.00 0.00 175.17 176.81 1qf0 h PRO 208 N 6.11 0.80 -0.03 4.34 0.11 -1.72 -2.24 132.00 139.37 1qf0 h PRO 208 Ca 0.11 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.18 1qf0 h PRO 208 Cb 1.05 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1qf0 h PRO 208 CO 0.18 0.53 0.14 0.00 -0.21 0.00 0.00 178.00 178.63 1qf0 h ALA 209 N 1.54 1.24 -0.73 -0.75 0.00 -1.70 -1.78 119.26 117.09 1qf0 h ALA 209 Ca 0.48 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.49 1qf0 h ALA 209 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1qf0 h ALA 209 CO -0.30 -0.15 0.48 -0.22 0.00 0.00 0.00 179.25 179.05 1qf0 h LYS 210 N 0.00 0.58 -0.26 0.00 3.64 -1.69 -1.10 116.57 117.74 1qf0 h LYS 210 Ca 0.01 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 1qf0 h LYS 210 Cb 0.29 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 1qf0 h LYS 210 CO -0.00 0.38 -0.16 0.66 -2.27 0.00 0.00 179.45 178.06 1qf0 n TYR 211 N -4.49 0.80 -1.02 1.91 4.01 -0.72 -4.96 117.16 112.69 1qf0 n TYR 211 Ca 0.12 -1.50 -0.01 0.00 -0.16 0.00 0.00 57.90 56.35 1qf0 n TYR 211 Cb 0.36 -0.41 -0.00 0.00 -0.31 0.00 0.00 39.34 38.97 1qf0 n TYR 211 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qf0 n GLY 212 N -1.09 0.47 3.89 2.72 0.00 -0.42 -5.04 105.19 105.72 1qf0 n GLY 212 Ca 0.29 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1qf0 n GLY 212 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qf0 s ASP 213 N -2.23 6.51 0.33 1.61 1.01 -0.91 -4.92 116.67 118.07 1qf0 s ASP 213 Ca 0.00 0.58 -0.29 0.00 0.71 0.00 0.00 52.55 53.55 1qf0 s ASP 213 Cb 0.00 -2.09 -0.11 0.00 1.01 0.00 0.00 42.92 41.73 1qf0 s ASP 213 CO 0.00 0.19 1.45 -2.16 0.21 0.00 0.00 175.17 174.86 1qf0 s PRO 214 N -2.05 4.20 -0.08 8.23 0.04 -1.26 -2.00 135.00 142.08 1qf0 s PRO 214 Ca 0.32 2.44 0.11 0.00 0.04 0.00 0.00 61.00 63.92 1qf0 s PRO 214 Cb -0.13 -3.02 0.25 0.00 0.04 0.00 0.00 34.50 31.64 1qf0 s PRO 214 CO 0.19 -0.44 1.18 -0.40 0.04 0.00 0.00 177.00 177.57 1qf0 n ASP 215 N 1.10 2.64 -3.65 6.66 5.68 -1.26 -2.31 116.55 125.41 1qf0 n ASP 215 Ca 0.03 -2.57 -0.14 0.00 -0.50 0.00 0.00 54.79 51.61 1qf0 n ASP 215 Cb 0.40 -0.29 -0.08 0.00 -1.14 0.00 0.00 41.12 40.01 1qf0 n ASP 215 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1qf0 s HIS 216 N -1.99 -0.70 0.50 2.11 5.04 -1.26 -4.71 115.29 114.28 1qf0 s HIS 216 Ca 0.23 1.68 0.22 0.00 -1.54 0.00 0.00 55.06 55.65 1qf0 s HIS 216 Cb 0.18 0.25 1.29 0.00 0.04 0.00 0.00 32.58 34.34 1qf0 s HIS 216 CO 0.05 -0.35 1.98 -0.92 -2.34 0.00 0.00 174.74 173.17 1qf0 h TYR 217 N 5.02 0.14 0.00 3.88 3.20 -0.86 0.44 116.97 128.79 1qf0 h TYR 217 Ca -0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1qf0 h TYR 217 Cb 1.16 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.39 1qf0 h TYR 217 CO 0.39 0.06 0.00 0.66 -1.64 0.00 0.00 178.16 177.63 1qf0 h SER 218 N 0.12 0.00 -0.47 -2.11 4.64 -1.88 -2.57 113.55 111.29 1qf0 h SER 218 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1qf0 h SER 218 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1qf0 h SER 218 CO -0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 1qf0 n LYS 219 N -2.67 3.41 -2.04 4.77 5.02 0.14 -5.01 118.16 121.78 1qf0 n LYS 219 Ca 0.00 -2.71 -0.36 0.00 -2.02 0.00 0.00 58.31 53.22 1qf0 n LYS 219 Cb 0.21 -1.77 0.03 0.00 -0.02 0.00 0.00 35.03 33.48 1qf0 n LYS 219 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1qf0 s ARG 220 N -2.01 3.07 0.04 1.97 1.70 -0.97 -4.65 118.95 118.11 1qf0 s ARG 220 Ca 0.43 1.82 -0.30 0.00 -0.47 0.00 0.00 55.73 57.21 1qf0 s ARG 220 Cb 0.29 -1.98 -0.04 0.00 -0.57 0.00 0.00 34.95 32.65 1qf0 s ARG 220 CO 0.18 -1.13 0.96 -0.47 -1.08 0.00 0.00 175.30 173.76 1qf0 s TYR 221 N -1.59 3.72 -0.71 5.89 5.04 -1.26 -4.95 117.35 123.48 1qf0 s TYR 221 Ca 0.76 1.72 0.07 0.00 -2.44 0.00 0.00 57.07 57.18 1qf0 s TYR 221 Cb -0.30 -3.08 0.13 0.00 0.35 0.00 0.00 41.96 39.06 1qf0 s TYR 221 CO 0.33 0.08 0.96 0.25 -1.34 0.00 0.00 175.55 175.83 1qf0 n THR 222 N 3.45 0.54 -0.85 4.34 -2.24 -1.26 -4.83 114.28 113.44 1qf0 n THR 222 Ca 0.04 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1qf0 n THR 222 Cb 0.50 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1qf0 n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qf0 n GLY 223 N 0.25 -0.93 0.00 3.38 0.00 -1.26 -5.03 105.19 101.60 1qf0 n GLY 223 Ca 0.06 -1.68 0.09 0.00 0.00 0.00 0.00 46.02 44.49 1qf0 n GLY 223 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qf0 n THR 224 N -1.52 0.00 -1.44 2.61 -2.24 -1.26 -4.12 114.28 106.31 1qf0 n THR 224 Ca 0.00 -0.18 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 1qf0 n THR 224 Cb 0.00 0.73 0.09 0.00 -2.10 0.00 0.00 70.33 69.05 1qf0 n THR 224 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1qf0 s GLN 225 N -2.86 2.18 -1.44 -0.78 -0.21 -1.26 -2.85 119.66 112.43 1qf0 s GLN 225 Ca 0.03 1.70 -0.08 0.00 0.02 0.00 0.00 55.36 57.03 1qf0 s GLN 225 Cb 0.13 -1.84 0.05 0.00 1.00 0.00 0.00 33.01 32.35 1qf0 s GLN 225 CO 0.75 -1.79 0.88 -3.47 -2.12 0.00 0.00 175.29 169.53 1qf0 n ASP 226 N -2.75 -3.41 -3.15 5.90 2.03 -1.26 -0.27 116.55 113.64 1qf0 n ASP 226 Ca 0.13 -0.79 -0.23 0.00 0.52 0.00 0.00 54.79 54.43 1qf0 n ASP 226 Cb 0.50 -3.99 0.02 0.00 -0.72 0.00 0.00 41.12 36.93 1qf0 n ASP 226 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1qf0 n ASN 227 N -2.93 -5.13 0.00 1.67 4.13 -1.22 -1.21 115.26 110.57 1qf0 n ASN 227 Ca -0.10 -0.32 0.00 0.00 1.68 0.00 0.00 54.58 55.85 1qf0 n ASN 227 Cb 0.59 -4.17 0.00 0.00 -1.54 0.00 0.00 39.78 34.65 1qf0 n ASN 227 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qf0 n GLY 228 N -1.37 0.87 2.01 7.41 0.00 0.27 -0.91 105.19 113.48 1qf0 n GLY 228 Ca -0.07 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 1qf0 n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qf0 n GLY 229 N -1.34 0.52 0.26 -0.02 0.00 0.63 -4.31 105.19 100.93 1qf0 n GLY 229 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 46.02 45.60 1qf0 n GLY 229 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1qf0 h VAL 230 N -0.70 1.21 -0.01 1.61 -1.51 -1.36 0.28 116.25 115.77 1qf0 h VAL 230 Ca -0.15 -0.91 0.00 0.00 -1.23 0.00 0.00 66.70 64.41 1qf0 h VAL 230 Cb 1.10 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1qf0 h VAL 230 CO 0.15 0.30 -0.06 1.41 -1.23 0.00 0.00 177.57 178.13 1qf0 n HIS 231 N -4.24 0.00 -0.08 5.19 8.25 -1.26 -3.55 115.22 119.53 1qf0 n HIS 231 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1qf0 n HIS 231 Cb 0.29 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 1qf0 n HIS 231 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1qf0 n ILE 232 N 0.06 1.45 0.41 1.59 5.41 -0.63 -4.58 119.36 123.06 1qf0 n ILE 232 Ca 0.17 0.10 0.08 0.00 1.00 0.00 0.00 62.75 64.11 1qf0 n ILE 232 Cb 0.37 -2.19 0.36 0.00 -0.71 0.00 0.00 39.64 37.47 1qf0 n ILE 232 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1qf0 n ASN 233 N -4.30 0.26 0.27 4.38 3.02 0.89 -2.05 115.26 117.73 1qf0 n ASN 233 Ca -0.17 0.57 0.14 0.00 -0.03 0.00 0.00 54.58 55.09 1qf0 n ASN 233 Cb 0.51 -0.62 0.74 0.00 -0.61 0.00 0.00 39.78 39.79 1qf0 n ASN 233 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1qf0 h SER 234 N 0.00 0.00 -0.42 6.41 4.64 -1.74 -2.31 113.55 120.13 1qf0 h SER 234 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1qf0 h SER 234 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1qf0 h SER 234 CO 0.00 0.11 0.28 1.23 -0.87 0.00 0.00 176.83 177.58 1qf0 h GLY 235 N 1.04 0.50 0.92 -0.77 0.00 -1.61 0.14 103.07 103.30 1qf0 h GLY 235 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1qf0 h GLY 235 CO 0.01 0.15 0.11 -2.22 0.00 0.00 0.00 176.54 174.59 1qf0 h ILE 236 N 0.44 1.21 -0.08 2.60 2.04 -0.99 -0.25 117.51 122.48 1qf0 h ILE 236 Ca 0.17 -0.70 -0.20 0.00 1.00 0.00 0.00 64.86 65.14 1qf0 h ILE 236 Cb 0.14 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1qf0 h ILE 236 CO -0.04 0.24 -0.77 0.40 0.00 0.00 0.00 178.15 177.98 1qf0 h ILE 237 N 0.43 1.36 -0.64 -0.67 1.08 -1.48 -2.42 117.51 115.17 1qf0 h ILE 237 Ca 0.11 -2.15 -0.03 0.00 -0.39 0.00 0.00 64.86 62.40 1qf0 h ILE 237 Cb 0.26 2.13 -0.03 0.00 -3.07 0.00 0.00 36.82 36.12 1qf0 h ILE 237 CO -0.00 0.65 0.29 0.78 -0.69 0.00 0.00 178.15 179.18 1qf0 h ASN 238 N 0.32 0.85 -0.24 1.72 2.35 -0.60 -0.25 115.58 119.73 1qf0 h ASN 238 Ca -0.04 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1qf0 h ASN 238 Cb 1.37 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 1qf0 h ASN 238 CO 0.14 0.76 0.13 0.50 -1.65 0.00 0.00 177.43 177.31 1qf0 h LYS 239 N 0.88 0.33 -0.74 0.81 1.63 -0.99 -0.56 116.57 117.94 1qf0 h LYS 239 Ca 0.22 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 60.01 1qf0 h LYS 239 Cb 0.15 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.67 1qf0 h LYS 239 CO -0.02 0.30 0.46 0.00 -3.45 0.00 0.00 179.45 176.73 1qf0 h ALA 240 N 1.02 0.97 -0.47 5.00 0.00 -1.02 -0.34 119.26 124.41 1qf0 h ALA 240 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1qf0 h ALA 240 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1qf0 h ALA 240 CO -0.01 0.24 0.17 0.00 0.00 0.00 0.00 179.25 179.65 1qf0 h ALA 241 N 1.32 0.61 -0.60 0.00 0.00 -0.73 -0.98 119.26 118.88 1qf0 h ALA 241 Ca 0.30 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1qf0 h ALA 241 Cb 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1qf0 h ALA 241 CO -0.12 0.24 0.40 -0.92 0.00 0.00 0.00 179.25 178.85 1qf0 h TYR 242 N 0.62 0.76 -0.57 0.00 3.20 -0.66 -2.56 116.97 117.77 1qf0 h TYR 242 Ca 0.15 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 1qf0 h TYR 242 Cb 0.22 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1qf0 h TYR 242 CO 0.01 0.47 0.19 -0.07 -1.64 0.00 0.00 178.16 177.12 1qf0 h LEU 243 N 0.82 0.82 -0.83 2.82 3.38 -0.73 0.41 115.31 121.99 1qf0 h LEU 243 Ca 0.22 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1qf0 h LEU 243 Cb -0.09 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.39 1qf0 h LEU 243 CO -0.05 0.80 0.52 0.40 0.09 0.00 0.00 178.44 180.20 1qf0 h ILE 244 N 0.79 1.09 0.02 1.22 2.04 -0.95 0.29 117.51 122.01 1qf0 h ILE 244 Ca 0.18 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1qf0 h ILE 244 Cb 0.27 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1qf0 h ILE 244 CO -0.01 0.18 -0.14 -1.28 0.00 0.00 0.00 178.15 176.90 1qf0 h SER 245 N 0.98 0.09 0.21 1.72 0.87 -1.29 0.29 113.55 116.42 1qf0 h SER 245 Ca 0.34 -0.93 -0.06 0.00 -1.23 0.00 0.00 61.79 59.92 1qf0 h SER 245 Cb 0.08 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1qf0 h SER 245 CO -0.14 1.01 -1.85 0.00 -0.53 0.00 0.00 176.83 175.33 1qf0 n GLN 246 N -4.55 0.65 0.00 2.24 1.13 0.12 -0.97 117.38 116.01 1qf0 n GLN 246 Ca -0.10 -0.10 0.00 0.00 -1.94 0.00 0.00 57.00 54.86 1qf0 n GLN 246 Cb 0.51 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.27 1qf0 n GLN 246 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qf0 n GLY 247 N 1.32 -1.25 0.00 1.08 0.00 0.10 -4.27 105.19 102.17 1qf0 n GLY 247 Ca -0.07 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1qf0 n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qf0 n GLY 248 N -0.99 1.70 3.12 -0.02 0.00 -0.07 -4.73 105.19 104.21 1qf0 n GLY 248 Ca 0.00 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 1qf0 n GLY 248 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qf0 s THR 249 N -1.32 2.11 -0.12 2.61 2.01 -1.26 -0.55 115.64 119.11 1qf0 s THR 249 Ca 0.00 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1qf0 s THR 249 Cb 0.00 -1.90 0.02 0.00 0.01 0.00 0.00 72.50 70.63 1qf0 s THR 249 CO 0.00 0.52 -0.15 -2.28 -0.69 0.00 0.00 174.62 172.01 1qf0 s HIS 250 N 1.29 2.08 -1.59 4.92 5.04 -0.51 -4.71 115.29 121.80 1qf0 s HIS 250 Ca 0.05 -1.03 -0.16 0.00 -1.54 0.00 0.00 55.06 52.38 1qf0 s HIS 250 Cb -0.13 -1.50 0.11 0.00 0.04 0.00 0.00 32.58 31.10 1qf0 s HIS 250 CO -0.12 -0.54 0.93 0.66 -2.34 0.00 0.00 174.74 173.33 1qf0 n TYR 251 N 4.33 -2.13 -0.20 3.88 4.01 -1.26 -1.35 117.16 124.44 1qf0 n TYR 251 Ca -0.19 0.87 0.00 0.00 -0.16 0.00 0.00 57.90 58.43 1qf0 n TYR 251 Cb 0.51 -3.65 0.00 0.00 -0.31 0.00 0.00 39.34 35.89 1qf0 n TYR 251 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qf0 n GLY 252 N -1.60 2.37 3.66 2.72 0.00 -1.26 -5.01 105.19 106.07 1qf0 n GLY 252 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1qf0 n GLY 252 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qf0 s VAL 253 N -3.12 5.26 -0.02 1.61 1.01 -0.46 -5.08 120.40 119.60 1qf0 s VAL 253 Ca 0.00 0.48 -0.18 0.00 0.00 0.00 0.00 61.98 62.28 1qf0 s VAL 253 Cb 0.00 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1qf0 s VAL 253 CO 0.00 0.28 0.50 -0.44 0.00 0.00 0.00 175.10 175.44 1qf0 s SER 254 N 1.12 6.86 -0.08 3.32 0.01 -1.26 -1.43 113.70 122.24 1qf0 s SER 254 Ca 0.14 1.02 0.01 0.00 1.31 0.00 0.00 55.95 58.43 1qf0 s SER 254 Cb -0.14 -2.31 0.02 0.00 0.21 0.00 0.00 66.02 63.80 1qf0 s SER 254 CO 0.07 0.17 -0.10 -0.69 0.41 0.00 0.00 173.24 173.10 1qf0 s VAL 255 N -0.37 1.06 -0.24 3.43 1.01 0.29 -4.86 120.40 120.71 1qf0 s VAL 255 Ca 0.27 -0.39 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 1qf0 s VAL 255 Cb -0.17 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1qf0 s VAL 255 CO 0.14 0.35 0.68 -0.69 0.00 0.00 0.00 175.10 175.59 1qf0 s VAL 256 N 1.09 4.95 0.41 2.92 1.01 -1.26 -0.89 120.40 128.62 1qf0 s VAL 256 Ca -0.07 1.25 -0.25 0.00 0.00 0.00 0.00 61.98 62.92 1qf0 s VAL 256 Cb -0.14 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1qf0 s VAL 256 CO -0.01 0.01 1.17 -0.83 0.00 0.00 0.00 175.10 175.44 1qf0 s GLY 257 N 1.41 2.85 0.00 4.51 0.00 -1.26 -4.72 107.32 110.11 1qf0 s GLY 257 Ca 0.29 0.97 0.11 0.00 0.00 0.00 0.00 44.72 46.08 1qf0 s GLY 257 CO 0.08 1.47 1.03 0.29 0.00 0.00 0.00 173.10 175.98 1qf0 n ILE 258 N -0.01 0.46 0.00 0.90 -5.35 0.10 -4.82 119.36 110.65 1qf0 n ILE 258 Ca 0.05 -0.73 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 1qf0 n ILE 258 Cb 0.47 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 1qf0 n ILE 258 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qf0 n GLY 259 N 0.56 0.42 0.26 3.28 0.00 -0.14 -4.53 105.19 105.04 1qf0 n GLY 259 Ca 0.09 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.27 1qf0 n GLY 259 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1qf0 h ARG 260 N 0.00 0.86 -0.32 1.61 3.08 -1.93 -2.68 114.38 115.00 1qf0 h ARG 260 Ca 0.00 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.86 1qf0 h ARG 260 Cb 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1qf0 h ARG 260 CO 0.00 0.80 0.20 -0.44 -1.07 0.00 0.00 179.97 179.46 1qf0 h ASP 261 N 0.76 0.33 0.39 7.04 3.32 -1.98 0.28 116.42 126.57 1qf0 h ASP 261 Ca 0.17 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.10 1qf0 h ASP 261 Cb 0.31 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1qf0 h ASP 261 CO -0.00 0.24 -0.53 0.11 -1.72 0.00 0.00 179.24 177.34 1qf0 h LYS 262 N 0.41 0.15 -0.18 3.56 1.57 -1.79 -0.86 116.57 119.42 1qf0 h LYS 262 Ca 0.12 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1qf0 h LYS 262 Cb -0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1qf0 h LYS 262 CO -0.04 0.65 0.11 1.25 -0.57 0.00 0.00 179.45 180.85 1qf0 h LEU 263 N 0.12 0.22 -0.71 2.94 5.85 -1.10 0.08 115.31 122.71 1qf0 h LEU 263 Ca 0.00 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1qf0 h LEU 263 Cb 0.98 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1qf0 h LEU 263 CO 0.08 0.21 0.35 1.23 -0.34 0.00 0.00 178.44 179.97 1qf0 h GLY 264 N 0.21 1.09 0.92 3.75 0.00 -0.66 -1.39 103.07 106.99 1qf0 h GLY 264 Ca 0.07 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1qf0 h GLY 264 CO -0.01 0.51 0.09 0.50 0.00 0.00 0.00 176.54 177.62 1qf0 h LYS 265 N 0.99 0.27 -0.05 4.80 1.79 -0.84 -1.36 116.57 122.16 1qf0 h LYS 265 Ca 0.25 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1qf0 h LYS 265 Cb 0.10 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1qf0 h LYS 265 CO -0.03 0.29 0.02 0.82 -1.08 0.00 0.00 179.45 179.47 1qf0 h ILE 266 N 0.17 1.15 -0.48 1.86 2.04 -0.86 -2.15 117.51 119.25 1qf0 h ILE 266 Ca 0.06 -0.45 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 1qf0 h ILE 266 Cb 0.11 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1qf0 h ILE 266 CO -0.01 0.12 -0.09 -0.26 0.00 0.00 0.00 178.15 177.92 1qf0 h PHE 267 N -0.09 0.93 -0.57 1.37 -1.00 -1.25 -0.87 116.94 115.46 1qf0 h PHE 267 Ca 0.02 -0.17 -0.05 0.00 2.81 0.00 0.00 57.97 60.57 1qf0 h PHE 267 Cb 0.18 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 1qf0 h PHE 267 CO -0.01 0.89 0.15 -0.92 -1.61 0.00 0.00 178.31 176.81 1qf0 h TYR 268 N 0.77 0.95 -0.45 -0.55 3.20 -1.26 0.33 116.97 119.95 1qf0 h TYR 268 Ca 0.13 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1qf0 h TYR 268 Cb 0.59 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1qf0 h TYR 268 CO 0.03 0.81 0.15 -0.09 -1.64 0.00 0.00 178.16 177.42 1qf0 h ARG 269 N 0.81 0.69 -0.43 1.82 2.43 -1.12 -1.44 114.38 117.14 1qf0 h ARG 269 Ca 0.18 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1qf0 h ARG 269 Cb 0.33 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1qf0 h ARG 269 CO 0.00 0.66 0.25 0.00 -1.51 0.00 0.00 179.97 179.37 1qf0 h ALA 270 N 1.00 0.55 -0.20 2.80 0.00 -0.87 -0.58 119.26 121.96 1qf0 h ALA 270 Ca 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qf0 h ALA 270 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1qf0 h ALA 270 CO -0.01 0.04 0.11 1.25 0.00 0.00 0.00 179.25 180.65 1qf0 h LEU 271 N 0.56 0.25 0.00 0.00 5.85 -0.75 0.80 115.31 122.02 1qf0 h LEU 271 Ca 0.15 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1qf0 h LEU 271 Cb 0.01 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1qf0 h LEU 271 CO -0.03 0.25 -0.52 0.71 -0.34 0.00 0.00 178.44 178.51 1qf0 h THR 272 N 0.23 0.00 0.00 1.05 1.35 -1.23 -3.23 112.91 111.08 1qf0 h THR 272 Ca 0.07 -0.71 -0.11 0.00 -0.55 0.00 0.00 66.41 65.11 1qf0 h THR 272 Cb 0.05 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 1qf0 h THR 272 CO -0.01 0.00 -1.43 0.00 -0.25 0.00 0.00 175.52 173.83 1qf0 n GLN 273 N -2.45 0.96 -0.04 4.72 1.13 -0.23 -4.89 117.38 116.57 1qf0 n GLN 273 Ca 0.03 0.03 -0.05 0.00 -1.94 0.00 0.00 57.00 55.07 1qf0 n GLN 273 Cb 0.48 -1.15 -0.07 0.00 0.11 0.00 0.00 30.24 29.61 1qf0 n GLN 273 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1qf0 n TYR 274 N -2.59 0.00 -2.43 1.08 4.01 -0.38 -5.03 117.16 111.83 1qf0 n TYR 274 Ca -0.12 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.25 1qf0 n TYR 274 Cb 0.66 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 39.23 1qf0 n TYR 274 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1qf0 s LEU 275 N -4.73 4.05 0.41 7.72 1.43 0.13 -5.01 118.68 122.68 1qf0 s LEU 275 Ca -0.05 2.13 0.04 0.00 -1.03 0.00 0.00 54.13 55.22 1qf0 s LEU 275 Cb 0.03 -4.25 -0.05 0.00 0.03 0.00 0.00 46.19 41.95 1qf0 s LEU 275 CO 0.35 -0.70 0.05 0.42 0.23 0.00 0.00 176.35 176.70 1qf0 s THR 276 N -1.65 1.20 0.44 5.49 -4.23 -1.26 -4.46 115.64 111.17 1qf0 s THR 276 Ca 0.61 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.26 1qf0 s THR 276 Cb -0.24 -2.58 0.33 0.00 1.34 0.00 0.00 72.50 71.35 1qf0 s THR 276 CO 0.29 0.00 1.98 -0.65 -0.54 0.00 0.00 174.62 175.71 1qf0 h PRO 277 N 1.78 0.39 -0.67 3.99 0.11 -1.37 -2.76 132.00 133.47 1qf0 h PRO 277 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1qf0 h PRO 277 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1qf0 h PRO 277 CO 0.70 0.26 0.00 0.25 -0.21 0.00 0.00 178.00 179.00 1qf0 n THR 278 N -4.47 1.04 -1.67 -1.15 -2.24 -1.26 -1.09 114.28 103.44 1qf0 n THR 278 Ca 0.09 -1.01 -0.45 0.00 -2.27 0.00 0.00 64.05 60.41 1qf0 n THR 278 Cb 0.36 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 1qf0 n THR 278 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1qf0 n SER 279 N 1.44 2.70 -4.95 3.42 7.64 -1.04 -4.80 113.62 118.04 1qf0 n SER 279 Ca 0.23 1.14 -0.24 0.00 1.01 0.00 0.00 58.87 61.01 1qf0 n SER 279 Cb 0.61 -1.42 0.02 0.00 -1.01 0.00 0.00 64.21 62.40 1qf0 n SER 279 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1qf0 s ASN 280 N 0.26 4.80 0.21 6.43 2.20 -1.26 -3.39 114.94 124.20 1qf0 s ASN 280 Ca 0.68 -1.10 -0.09 0.00 -0.94 0.00 0.00 52.86 51.42 1qf0 s ASN 280 Cb -0.65 0.36 0.31 0.00 -2.00 0.00 0.00 41.25 39.27 1qf0 s ASN 280 CO 0.50 -1.18 1.74 -0.26 -2.94 0.00 0.00 177.10 174.96 1qf0 h PHE 281 N 0.55 0.42 -0.77 1.54 -1.00 -1.95 -0.49 116.94 115.24 1qf0 h PHE 281 Ca -0.34 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.45 1qf0 h PHE 281 Cb 1.30 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 40.73 1qf0 h PHE 281 CO 0.78 0.10 0.39 1.03 -1.61 0.00 0.00 178.31 179.00 1qf0 h SER 282 N 0.42 0.97 0.40 2.17 0.87 -1.94 -1.63 113.55 114.81 1qf0 h SER 282 Ca 0.33 -0.10 -0.13 0.00 -1.23 0.00 0.00 61.79 60.66 1qf0 h SER 282 Cb 0.41 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1qf0 h SER 282 CO -0.32 0.80 -0.56 1.56 -0.53 0.00 0.00 176.83 177.78 1qf0 h GLN 283 N 1.08 0.17 -0.65 2.24 4.20 -1.71 -2.52 115.11 117.93 1qf0 h GLN 283 Ca 0.27 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 1qf0 h GLN 283 Cb 0.07 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1qf0 h GLN 283 CO -0.04 0.69 0.09 1.25 -0.67 0.00 0.00 178.83 180.15 1qf0 h LEU 284 N 0.13 1.04 -0.48 1.46 5.85 -0.57 0.31 115.31 123.05 1qf0 h LEU 284 Ca -0.00 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.46 1qf0 h LEU 284 Cb 1.03 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1qf0 h LEU 284 CO 0.08 1.04 0.31 -0.09 -0.34 0.00 0.00 178.44 179.45 1qf0 h ARG 285 N 1.00 0.62 -0.52 1.25 2.43 -0.98 0.18 114.38 118.35 1qf0 h ARG 285 Ca 0.20 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1qf0 h ARG 285 Cb 0.45 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1qf0 h ARG 285 CO 0.01 0.41 0.09 0.00 -1.51 0.00 0.00 179.97 178.97 1qf0 h ALA 286 N 1.18 1.18 -0.38 2.80 0.00 -1.10 -0.31 119.26 122.63 1qf0 h ALA 286 Ca 0.18 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1qf0 h ALA 286 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1qf0 h ALA 286 CO -0.05 0.55 -0.16 0.00 0.00 0.00 0.00 179.25 179.59 1qf0 h ALA 287 N 1.32 0.54 -0.46 0.00 0.00 -0.25 -0.95 119.26 119.45 1qf0 h ALA 287 Ca 0.17 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1qf0 h ALA 287 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1qf0 h ALA 287 CO 0.01 0.46 -0.10 0.00 0.00 0.00 0.00 179.25 179.62 1qf0 h ALA 288 N 0.81 0.64 -0.48 0.00 0.00 -0.43 -0.78 119.26 119.02 1qf0 h ALA 288 Ca 0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1qf0 h ALA 288 Cb 0.71 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1qf0 h ALA 288 CO 0.05 0.53 0.13 0.28 0.00 0.00 0.00 179.25 180.24 1qf0 h VAL 289 N 0.73 1.23 -0.57 0.00 2.07 -0.99 -1.70 116.25 117.02 1qf0 h VAL 289 Ca 0.12 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1qf0 h VAL 289 Cb 0.64 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1qf0 h VAL 289 CO 0.04 0.29 0.27 -0.61 0.02 0.00 0.00 177.57 177.58 1qf0 h GLN 290 N 0.65 0.83 -0.47 1.57 5.75 -1.02 -0.98 115.11 121.45 1qf0 h GLN 290 Ca 0.15 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1qf0 h GLN 290 Cb 0.31 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1qf0 h GLN 290 CO -0.00 0.69 0.14 0.77 -2.65 0.00 0.00 178.83 177.78 1qf0 h SER 291 N 0.78 0.68 0.01 -0.69 0.02 -1.00 0.09 113.55 113.45 1qf0 h SER 291 Ca 0.20 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1qf0 h SER 291 Cb 0.14 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1qf0 h SER 291 CO -0.02 0.71 -0.15 0.00 -1.14 0.00 0.00 176.83 176.22 1qf0 h ALA 292 N 1.00 1.41 -0.11 3.77 0.00 -1.13 -1.40 119.26 122.80 1qf0 h ALA 292 Ca 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1qf0 h ALA 292 Cb 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qf0 h ALA 292 CO -0.00 0.41 -0.05 1.15 0.00 0.00 0.00 179.25 180.76 1qf0 h THR 293 N 0.28 1.31 -0.42 0.00 2.02 -0.66 0.29 112.91 115.73 1qf0 h THR 293 Ca 0.05 -1.06 0.06 0.00 0.77 0.00 0.00 66.41 66.23 1qf0 h THR 293 Cb 0.44 1.79 -0.05 0.00 -1.74 0.00 0.00 68.15 68.59 1qf0 h THR 293 CO 0.03 0.30 0.13 0.44 0.37 0.00 0.00 175.52 176.79 1qf0 h ASP 294 N -0.12 0.11 0.69 4.18 3.32 -0.74 0.16 116.42 124.02 1qf0 h ASP 294 Ca 0.03 0.06 -0.22 0.00 0.02 0.00 0.00 57.03 56.91 1qf0 h ASP 294 Cb 0.50 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1qf0 h ASP 294 CO 0.02 0.09 -1.02 -0.07 -1.72 0.00 0.00 179.24 176.54 1qf0 h LEU 295 N 0.28 0.26 -0.43 1.55 3.38 -1.20 -3.41 115.31 115.73 1qf0 h LEU 295 Ca 0.20 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1qf0 h LEU 295 Cb 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1qf0 h LEU 295 CO -0.22 1.12 0.00 -1.22 0.09 0.00 0.00 178.44 178.20 1qf0 n TYR 296 N -3.55 0.00 0.00 1.13 4.01 0.10 -5.08 117.16 113.77 1qf0 n TYR 296 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1qf0 n TYR 296 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.93 1qf0 n TYR 296 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qf0 n GLY 297 N 0.15 1.01 0.29 2.72 0.00 0.56 -4.31 105.19 105.62 1qf0 n GLY 297 Ca 0.00 -1.58 0.18 0.00 0.00 0.00 0.00 46.02 44.62 1qf0 n GLY 297 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qf0 h SER 298 N 0.00 0.00 -0.74 1.61 4.64 -1.88 -2.16 113.55 115.02 1qf0 h SER 298 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qf0 h SER 298 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qf0 h SER 298 CO 0.00 0.04 0.00 0.35 -0.87 0.00 0.00 176.83 176.35 1qf0 n THR 299 N -3.22 1.00 -1.60 2.95 -2.24 -1.26 -4.83 114.28 105.08 1qf0 n THR 299 Ca -0.01 -1.00 -0.32 0.00 -2.27 0.00 0.00 64.05 60.45 1qf0 n THR 299 Cb 0.22 0.50 0.06 0.00 -2.10 0.00 0.00 70.33 69.01 1qf0 n THR 299 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qf0 s SER 300 N -1.00 5.05 0.24 3.42 1.04 -0.81 -4.94 113.70 116.70 1qf0 s SER 300 Ca 0.49 1.84 -0.02 0.00 0.48 0.00 0.00 55.95 58.74 1qf0 s SER 300 Cb 0.26 -2.53 0.28 0.00 0.10 0.00 0.00 66.02 64.13 1qf0 s SER 300 CO 0.34 -1.66 1.69 -0.61 0.98 0.00 0.00 173.24 173.97 1qf0 h GLN 301 N -0.44 0.72 -0.58 4.02 5.75 -1.91 -2.53 115.11 120.14 1qf0 h GLN 301 Ca -0.45 -0.25 0.07 0.00 -0.15 0.00 0.00 58.65 57.87 1qf0 h GLN 301 Cb 1.23 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.67 1qf0 h GLN 301 CO 0.54 0.84 0.26 0.93 -2.65 0.00 0.00 178.83 178.75 1qf0 h GLU 302 N 0.65 0.47 -0.65 1.69 3.07 -1.92 0.35 114.58 118.24 1qf0 h GLU 302 Ca 0.10 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.85 1qf0 h GLU 302 Cb 0.63 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.40 1qf0 h GLU 302 CO 0.04 0.31 0.08 0.28 -1.40 0.00 0.00 179.01 178.32 1qf0 h VAL 303 N 0.49 1.26 -0.49 3.13 2.07 -1.77 -2.61 116.25 118.33 1qf0 h VAL 303 Ca 0.28 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1qf0 h VAL 303 Cb 0.26 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1qf0 h VAL 303 CO -0.23 0.39 0.24 0.00 0.02 0.00 0.00 177.57 177.99 1qf0 h ALA 304 N 1.07 0.63 -0.32 1.67 0.00 -0.71 -2.49 119.26 119.10 1qf0 h ALA 304 Ca 0.19 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1qf0 h ALA 304 Cb 0.47 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1qf0 h ALA 304 CO 0.02 0.19 -0.09 0.77 0.00 0.00 0.00 179.25 180.14 1qf0 h SER 305 N 0.65 0.51 -0.48 0.00 0.02 -0.27 -1.59 113.55 112.39 1qf0 h SER 305 Ca 0.17 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1qf0 h SER 305 Cb 0.11 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1qf0 h SER 305 CO -0.02 0.64 0.01 0.58 -1.14 0.00 0.00 176.83 176.90 1qf0 h VAL 306 N 0.49 1.26 -0.15 2.27 2.07 -1.28 -1.55 116.25 119.36 1qf0 h VAL 306 Ca 0.09 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1qf0 h VAL 306 Cb 0.46 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1qf0 h VAL 306 CO 0.02 0.36 0.05 0.11 0.02 0.00 0.00 177.57 178.13 1qf0 h LYS 307 N 0.69 0.24 -0.82 1.57 1.57 -1.20 -2.04 116.57 116.58 1qf0 h LYS 307 Ca 0.14 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1qf0 h LYS 307 Cb 0.49 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1qf0 h LYS 307 CO 0.02 0.37 0.48 1.96 -0.57 0.00 0.00 179.45 181.72 1qf0 h GLN 308 N 0.06 1.12 -0.43 3.15 1.08 -1.28 -0.46 115.11 118.35 1qf0 h GLN 308 Ca 0.05 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1qf0 h GLN 308 Cb 0.23 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1qf0 h GLN 308 CO -0.00 0.80 0.21 0.00 -0.95 0.00 0.00 178.83 178.89 1qf0 h ALA 309 N 1.26 0.55 -0.16 3.87 0.00 -1.16 0.29 119.26 123.92 1qf0 h ALA 309 Ca 0.29 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1qf0 h ALA 309 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1qf0 h ALA 309 CO -0.05 0.11 -0.51 0.74 0.00 0.00 0.00 179.25 179.54 1qf0 h PHE 310 N 0.56 0.53 -0.46 0.00 0.04 -1.21 -2.60 116.94 113.80 1qf0 h PHE 310 Ca 0.15 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1qf0 h PHE 310 Cb 0.11 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1qf0 h PHE 310 CO -0.01 0.85 0.24 -0.44 -0.60 0.00 0.00 178.31 178.35 1qf0 h ASP 311 N 0.34 0.59 -0.78 2.17 3.32 -0.72 0.67 116.42 122.00 1qf0 h ASP 311 Ca 0.01 -0.11 0.09 0.00 0.02 0.00 0.00 57.03 57.05 1qf0 h ASP 311 Cb 1.01 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.36 1qf0 h ASP 311 CO 0.09 0.53 0.51 0.00 -1.72 0.00 0.00 179.24 178.65 1qf0 h ALA 312 N 1.08 1.75 -0.58 3.45 0.00 -0.18 -1.16 119.26 123.62 1qf0 h ALA 312 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1qf0 h ALA 312 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1qf0 h ALA 312 CO -0.02 0.09 0.00 1.33 0.00 0.00 0.00 179.25 180.65 1qf0 n VAL 313 N -4.50 0.96 -1.62 0.00 0.24 -1.00 -4.71 118.33 107.70 1qf0 n VAL 313 Ca 0.13 -0.84 -0.10 0.00 -2.04 0.00 0.00 64.34 61.50 1qf0 n VAL 313 Cb 0.31 0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 32.97 1qf0 n VAL 313 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qf0 n GLY 314 N 1.35 0.69 3.40 7.63 0.00 -0.44 -0.21 105.19 117.60 1qf0 n GLY 314 Ca 0.20 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1qf0 n GLY 314 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qf0 s VAL 315 N -2.40 4.87 -2.38 1.61 1.01 0.17 -4.65 120.40 118.63 1qf0 s VAL 315 Ca 0.00 -0.88 0.19 0.00 0.00 0.00 0.00 61.98 61.29 1qf0 s VAL 315 Cb 0.00 -3.77 0.15 0.00 0.00 0.00 0.00 36.38 32.76 1qf0 s VAL 315 CO 0.00 -0.34 1.10 0.29 0.00 0.00 0.00 175.10 176.15