#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnk s LEU 3 N 0.00 3.92 0.00 -4.42 1.43 -0.29 -4.97 118.68 114.36 1xnk s LEU 3 Ca 0.00 1.93 0.01 0.00 -1.03 0.00 0.00 54.13 55.04 1xnk s LEU 3 Cb 0.00 -4.47 0.01 0.00 0.03 0.00 0.00 46.19 41.76 1xnk s LEU 3 CO 0.00 -0.67 0.54 0.35 0.23 0.00 0.00 176.35 176.81 1xnk n THR 4 N -0.72 0.02 -3.91 5.49 -2.24 -1.26 -4.54 114.28 107.12 1xnk n THR 4 Ca 0.08 -0.51 -0.03 0.00 -2.27 0.00 0.00 64.05 61.32 1xnk n THR 4 Cb 0.52 1.01 0.02 0.00 -2.10 0.00 0.00 70.33 69.78 1xnk n THR 4 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xnk s SER 5 N -0.11 0.02 0.50 3.42 0.15 -1.26 -5.12 113.70 111.30 1xnk s SER 5 Ca 0.01 -0.66 -0.23 0.00 0.70 0.00 0.00 55.95 55.77 1xnk s SER 5 Cb 0.01 0.48 -0.07 0.00 -1.71 0.00 0.00 66.02 64.72 1xnk s SER 5 CO 0.01 -0.95 1.23 -1.20 1.20 0.00 0.00 173.24 173.53 1xnk n SER 6 N -1.28 2.17 -3.48 5.45 7.64 -1.26 -4.94 113.62 117.93 1xnk n SER 6 Ca -0.02 1.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.76 1xnk n SER 6 Cb 0.59 -1.50 -0.02 0.00 -1.01 0.00 0.00 64.21 62.27 1xnk n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xnk s ALA 7 N -1.29 -1.74 0.12 -0.43 0.00 -0.25 -5.00 121.76 113.16 1xnk s ALA 7 Ca 0.68 0.87 -0.07 0.00 0.00 0.00 0.00 51.96 53.44 1xnk s ALA 7 Cb -0.46 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1xnk s ALA 7 CO 0.53 -0.68 0.18 0.95 0.00 0.00 0.00 175.76 176.73 1xnk s THR 8 N -3.16 0.11 -5.00 0.00 -4.23 -1.26 -0.70 115.64 101.40 1xnk s THR 8 Ca 0.02 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1xnk s THR 8 Cb -0.01 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.15 1xnk s THR 8 CO -0.09 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 1xnk n GLY 9 N -0.11 -0.38 3.19 3.99 0.00 -0.94 -4.99 105.19 105.96 1xnk n GLY 9 Ca -0.10 -1.30 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 1xnk n GLY 9 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xnk s THR 10 N -2.94 1.43 -0.05 2.61 -1.32 -1.26 -0.11 115.64 114.01 1xnk s THR 10 Ca 0.00 -0.96 -0.01 0.00 -1.21 0.00 0.00 61.69 59.51 1xnk s THR 10 Cb 0.00 -1.23 0.03 0.00 -1.51 0.00 0.00 72.50 69.79 1xnk s THR 10 CO 0.00 0.25 0.03 -2.28 -2.21 0.00 0.00 174.62 170.41 1xnk s HIS 11 N -0.64 0.28 -1.47 9.09 5.04 0.16 -4.83 115.29 122.92 1xnk s HIS 11 Ca 0.06 0.08 -0.12 0.00 -1.54 0.00 0.00 55.06 53.54 1xnk s HIS 11 Cb -0.08 -0.54 0.07 0.00 0.04 0.00 0.00 32.58 32.08 1xnk s HIS 11 CO 0.01 -0.21 0.77 0.09 -2.34 0.00 0.00 174.74 173.06 1xnk n ASN 12 N 4.93 -4.61 0.00 9.88 3.02 -1.26 -1.08 115.26 126.15 1xnk n ASN 12 Ca -0.11 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 1xnk n ASN 12 Cb 0.50 -3.72 0.00 0.00 -0.61 0.00 0.00 39.78 35.95 1xnk n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xnk n GLY 13 N -1.50 1.38 3.41 7.41 0.00 -1.26 -4.69 105.19 109.94 1xnk n GLY 13 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1xnk n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xnk s TYR 14 N -2.76 2.85 0.48 1.61 1.51 -0.24 -5.01 117.35 115.80 1xnk s TYR 14 Ca 0.00 -0.52 -0.23 0.00 -1.01 0.00 0.00 57.07 55.31 1xnk s TYR 14 Cb 0.00 -1.85 -0.07 0.00 -0.11 0.00 0.00 41.96 39.93 1xnk s TYR 14 CO 0.00 -0.14 1.21 -0.47 -1.11 0.00 0.00 175.55 175.04 1xnk s TYR 15 N 0.26 2.74 0.02 2.71 5.04 -0.43 0.36 117.35 128.05 1xnk s TYR 15 Ca -0.08 1.50 0.03 0.00 -2.44 0.00 0.00 57.07 56.08 1xnk s TYR 15 Cb -0.15 -3.47 -0.02 0.00 0.35 0.00 0.00 41.96 38.67 1xnk s TYR 15 CO 0.05 -1.81 -0.09 1.52 -1.34 0.00 0.00 175.55 173.88 1xnk s TYR 16 N -1.49 0.77 -0.02 4.97 -0.85 0.85 0.35 117.35 121.92 1xnk s TYR 16 Ca 0.65 -0.29 0.01 0.00 -0.52 0.00 0.00 57.07 56.92 1xnk s TYR 16 Cb -0.31 -0.47 0.02 0.00 0.38 0.00 0.00 41.96 41.58 1xnk s TYR 16 CO 0.37 -0.02 -0.00 0.45 -1.52 0.00 0.00 175.55 174.83 1xnk s SER 17 N -0.84 0.39 -0.07 -0.18 0.15 -0.83 -2.23 113.70 110.09 1xnk s SER 17 Ca -0.02 -0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.60 1xnk s SER 17 Cb -0.06 -0.19 0.03 0.00 -1.71 0.00 0.00 66.02 64.09 1xnk s SER 17 CO 0.00 -0.08 -0.02 0.12 1.20 0.00 0.00 173.24 174.47 1xnk s PHE 18 N 0.82 0.74 -0.08 3.44 5.36 0.12 -1.10 117.98 127.28 1xnk s PHE 18 Ca -0.08 -0.21 0.03 0.00 -0.96 0.00 0.00 56.93 55.71 1xnk s PHE 18 Cb -0.11 -0.78 0.01 0.00 -0.34 0.00 0.00 43.02 41.79 1xnk s PHE 18 CO -0.01 -0.30 -0.18 -0.46 -1.46 0.00 0.00 175.22 172.81 1xnk s TRP 19 N 1.64 2.00 0.01 10.12 -0.00 0.37 -1.09 118.94 131.98 1xnk s TRP 19 Ca 0.00 -0.77 -0.01 0.00 -0.00 0.00 0.00 56.10 55.32 1xnk s TRP 19 Cb -0.13 -1.38 -0.01 0.00 -0.00 0.00 0.00 33.47 31.95 1xnk s TRP 19 CO -0.04 -0.33 0.00 -0.08 -0.00 0.00 0.00 176.95 176.50 1xnk s THR 20 N 0.46 0.07 -2.02 5.86 -1.32 -1.26 -0.81 115.64 116.62 1xnk s THR 20 Ca -0.16 -0.56 0.08 0.00 -1.21 0.00 0.00 61.69 59.84 1xnk s THR 20 Cb -0.17 -0.19 0.23 0.00 -1.51 0.00 0.00 72.50 70.86 1xnk s THR 20 CO 0.06 -0.31 1.22 -0.90 -2.21 0.00 0.00 174.62 172.48 1xnk n ASP 21 N 2.12 1.17 0.00 8.08 5.68 -0.50 -4.75 116.55 128.34 1xnk n ASP 21 Ca -0.20 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 1xnk n ASP 21 Cb 0.57 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1xnk n ASP 21 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xnk n GLY 22 N 0.87 1.66 3.95 6.12 0.00 -1.26 -4.98 105.19 111.55 1xnk n GLY 22 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1xnk n GLY 22 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xnk s GLN 23 N -0.07 3.10 1.51 1.61 -1.52 -1.26 -4.97 119.66 118.05 1xnk s GLN 23 Ca 0.00 -0.44 0.00 0.00 -1.95 0.00 0.00 55.36 52.97 1xnk s GLN 23 Cb 0.00 -2.55 0.00 0.00 -0.22 0.00 0.00 33.01 30.24 1xnk s GLN 23 CO 0.00 -0.26 0.00 0.41 -0.25 0.00 0.00 175.29 175.19 1xnk n GLY 24 N -2.09 -1.47 3.51 3.09 0.00 -1.26 -3.87 105.19 103.10 1xnk n GLY 24 Ca 0.01 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 1xnk n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xnk s ASN 25 N -4.03 4.76 -0.25 1.61 0.01 0.45 -4.90 114.94 112.58 1xnk s ASN 25 Ca 0.00 -0.12 -0.22 0.00 -0.71 0.00 0.00 52.86 51.81 1xnk s ASN 25 Cb 0.00 -1.71 0.07 0.00 0.41 0.00 0.00 41.25 40.02 1xnk s ASN 25 CO 0.00 0.19 0.67 -0.51 -1.51 0.00 0.00 177.10 175.95 1xnk s ILE 26 N 0.21 -0.00 -0.24 0.60 2.07 -1.26 -1.10 121.20 121.48 1xnk s ILE 26 Ca -0.03 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.20 1xnk s ILE 26 Cb -0.14 -0.94 0.07 0.00 0.13 0.00 0.00 42.46 41.59 1xnk s ILE 26 CO 0.03 0.00 0.05 -0.13 -1.91 0.00 0.00 174.94 172.98 1xnk s ARG 27 N 0.55 0.78 -0.30 3.50 0.52 -0.63 -5.01 118.95 118.36 1xnk s ARG 27 Ca -0.02 -0.70 -0.11 0.00 -0.52 0.00 0.00 55.73 54.39 1xnk s ARG 27 Cb -0.05 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.29 1xnk s ARG 27 CO -0.02 -0.76 0.18 0.12 0.02 0.00 0.00 175.30 174.84 1xnk s PHE 28 N 1.73 3.20 -0.14 -0.53 2.19 -1.26 -2.12 117.98 121.05 1xnk s PHE 28 Ca 0.02 -0.22 -0.00 0.00 0.33 0.00 0.00 56.93 57.05 1xnk s PHE 28 Cb -0.17 -2.39 -0.01 0.00 -1.31 0.00 0.00 43.02 39.14 1xnk s PHE 28 CO -0.14 -0.32 -0.13 -0.80 1.83 0.00 0.00 175.22 175.66 1xnk s ASN 29 N 1.69 3.99 -0.07 6.13 0.01 0.10 -1.13 114.94 125.67 1xnk s ASN 29 Ca 0.06 -0.34 -0.23 0.00 -0.71 0.00 0.00 52.86 51.64 1xnk s ASN 29 Cb -0.17 -1.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.84 1xnk s ASN 29 CO 0.09 0.15 0.68 -0.76 -1.51 0.00 0.00 177.10 175.74 1xnk s LEU 30 N 0.45 4.32 0.00 0.60 1.43 -1.26 -0.92 118.68 123.30 1xnk s LEU 30 Ca -0.10 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1xnk s LEU 30 Cb -0.16 -3.04 -0.00 0.00 0.03 0.00 0.00 46.19 43.02 1xnk s LEU 30 CO 0.05 -0.09 0.01 -0.62 0.23 0.00 0.00 176.35 175.92 1xnk n GLU 31 N 3.70 1.43 -1.62 1.70 1.02 -0.20 -4.85 120.64 121.80 1xnk n GLU 31 Ca -0.02 -0.28 -0.43 0.00 -0.02 0.00 0.00 57.16 56.42 1xnk n GLU 31 Cb 0.51 0.11 -0.00 0.00 -0.02 0.00 0.00 31.44 32.04 1xnk n GLU 31 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1xnk n SER 32 N -1.50 1.61 0.00 1.62 7.64 -1.26 -4.27 113.62 117.45 1xnk n SER 32 Ca -0.01 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1xnk n SER 32 Cb 0.05 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 61.89 1xnk n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xnk n GLY 33 N 1.10 3.22 1.66 0.23 0.00 -1.26 -1.27 105.19 108.88 1xnk n GLY 33 Ca 0.08 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 1xnk n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnk n GLY 34 N 0.00 3.23 3.83 -0.02 0.00 -1.26 -4.62 105.19 106.35 1xnk n GLY 34 Ca 0.00 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 1xnk n GLY 34 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xnk s GLN 35 N -2.14 3.11 0.01 1.61 0.74 -0.39 -0.37 119.66 122.23 1xnk s GLN 35 Ca 0.36 -0.57 -0.15 0.00 0.05 0.00 0.00 55.36 55.05 1xnk s GLN 35 Cb 0.30 -2.86 0.02 0.00 1.10 0.00 0.00 33.01 31.57 1xnk s GLN 35 CO 0.08 0.59 0.31 1.52 -0.55 0.00 0.00 175.29 177.25 1xnk s TYR 36 N -1.41 -0.16 0.06 1.67 -0.85 -0.41 -1.04 117.35 115.21 1xnk s TYR 36 Ca 0.31 0.16 0.05 0.00 -0.52 0.00 0.00 57.07 57.07 1xnk s TYR 36 Cb -0.12 0.10 -0.03 0.00 0.38 0.00 0.00 41.96 42.29 1xnk s TYR 36 CO 0.23 -0.44 -0.15 -1.12 -1.52 0.00 0.00 175.55 172.55 1xnk s SER 37 N -1.63 1.82 -0.10 -0.18 0.01 -0.09 -1.09 113.70 112.43 1xnk s SER 37 Ca -0.10 -0.54 -0.08 0.00 1.31 0.00 0.00 55.95 56.53 1xnk s SER 37 Cb -0.03 -0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.13 1xnk s SER 37 CO 0.01 0.01 0.26 0.54 0.41 0.00 0.00 173.24 174.47 1xnk s VAL 38 N -1.03 -0.01 -0.09 3.43 0.11 0.26 0.01 120.40 123.09 1xnk s VAL 38 Ca 0.01 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 1xnk s VAL 38 Cb -0.09 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 34.39 1xnk s VAL 38 CO 0.02 0.01 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.78 1xnk s THR 39 N 0.38 1.30 0.13 5.04 2.01 -0.90 -0.85 115.64 122.75 1xnk s THR 39 Ca -0.02 -0.55 -0.05 0.00 0.31 0.00 0.00 61.69 61.39 1xnk s THR 39 Cb -0.04 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 1xnk s THR 39 CO -0.02 0.40 0.14 -1.66 -0.69 0.00 0.00 174.62 172.79 1xnk s TRP 40 N 0.84 0.60 0.14 4.92 -2.14 -0.38 -1.60 118.94 121.32 1xnk s TRP 40 Ca -0.11 -0.99 -0.24 0.00 2.66 0.00 0.00 56.10 57.42 1xnk s TRP 40 Cb -0.15 -0.28 0.08 0.00 -3.10 0.00 0.00 33.47 30.02 1xnk s TRP 40 CO 0.01 -0.58 1.07 -1.54 -2.66 0.00 0.00 176.95 173.25 1xnk s SER 41 N -2.99 -0.04 0.00 -2.66 1.04 -0.26 -1.10 113.70 107.69 1xnk s SER 41 Ca 0.18 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1xnk s SER 41 Cb 0.06 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1xnk s SER 41 CO -0.01 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1xnk n GLY 42 N -0.64 -1.68 2.81 7.32 0.00 -1.24 -0.41 105.19 111.34 1xnk n GLY 42 Ca -0.04 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 1xnk n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xnk n ASN 43 N 0.06 6.89 -4.96 1.61 3.02 -1.26 -3.61 115.26 117.00 1xnk n ASN 43 Ca 0.00 -3.81 -0.18 0.00 -0.03 0.00 0.00 54.58 50.56 1xnk n ASN 43 Cb 0.00 -0.94 -0.00 0.00 -0.61 0.00 0.00 39.78 38.23 1xnk n ASN 43 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1xnk s GLY 44 N -1.65 1.97 -0.13 7.41 0.00 -1.25 -4.20 107.32 109.47 1xnk s GLY 44 Ca 0.51 -1.71 -0.01 0.00 0.00 0.00 0.00 44.72 43.50 1xnk s GLY 44 CO -0.35 -1.54 -0.04 0.21 0.00 0.00 0.00 173.10 171.37 1xnk s ASN 45 N -4.26 2.30 0.14 1.64 3.04 -1.26 -0.30 114.94 116.25 1xnk s ASN 45 Ca 0.52 -0.41 -0.17 0.00 0.04 0.00 0.00 52.86 52.84 1xnk s ASN 45 Cb -0.08 -0.74 0.04 0.00 -1.54 0.00 0.00 41.25 38.93 1xnk s ASN 45 CO 0.31 -0.18 0.44 -1.66 -3.04 0.00 0.00 177.10 172.97 1xnk s TRP 46 N 1.77 -0.22 -0.21 0.43 1.48 -0.67 -1.41 118.94 120.11 1xnk s TRP 46 Ca 0.03 -0.09 -0.15 0.00 -1.06 0.00 0.00 56.10 54.82 1xnk s TRP 46 Cb -0.14 0.30 0.06 0.00 -1.16 0.00 0.00 33.47 32.54 1xnk s TRP 46 CO -0.07 -0.75 0.54 0.54 -4.06 0.00 0.00 176.95 173.15 1xnk s VAL 47 N -3.81 -0.01 0.03 -0.66 0.11 0.01 -1.26 120.40 114.81 1xnk s VAL 47 Ca 0.04 0.03 -0.28 0.00 -2.93 0.00 0.00 61.98 58.84 1xnk s VAL 47 Cb 0.01 -0.78 0.09 0.00 -1.53 0.00 0.00 36.38 34.18 1xnk s VAL 47 CO -0.11 0.01 0.93 -0.83 -3.33 0.00 0.00 175.10 171.78 1xnk s GLY 48 N 0.96 -0.40 0.00 6.54 0.00 -0.58 -0.48 107.32 113.36 1xnk s GLY 48 Ca -0.05 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.47 1xnk s GLY 48 CO -0.08 0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.88 1xnk n GLY 49 N -0.30 -1.29 3.45 0.20 0.00 -0.26 -1.14 105.19 105.84 1xnk n GLY 49 Ca -0.08 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 1xnk n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xnk s LYS 50 N -0.61 1.62 0.00 1.61 1.02 -1.21 -1.97 119.74 120.20 1xnk s LYS 50 Ca 0.00 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.61 1xnk s LYS 50 Cb 0.00 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1xnk s LYS 50 CO 0.00 0.43 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 1xnk n GLY 51 N 0.47 -0.23 3.09 -3.33 0.00 0.15 -1.04 105.19 104.30 1xnk n GLY 51 Ca -0.14 0.47 -0.07 0.00 0.00 0.00 0.00 46.02 46.27 1xnk n GLY 51 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xnk s TRP 52 N 0.00 0.53 -0.27 1.61 0.51 0.62 -1.31 118.94 120.63 1xnk s TRP 52 Ca 0.00 -1.04 -0.02 0.00 -2.12 0.00 0.00 56.10 52.93 1xnk s TRP 52 Cb 0.00 -0.39 0.16 0.00 -0.81 0.00 0.00 33.47 32.43 1xnk s TRP 52 CO 0.00 -0.36 0.48 1.21 -0.51 0.00 0.00 176.95 177.77 1xnk s ASN 53 N -2.85 -0.47 0.64 2.95 2.47 -1.26 -0.34 114.94 116.07 1xnk s ASN 53 Ca 0.06 0.49 -0.11 0.00 0.42 0.00 0.00 52.86 53.72 1xnk s ASN 53 Cb 0.07 1.58 -0.02 0.00 -1.45 0.00 0.00 41.25 41.42 1xnk s ASN 53 CO -0.09 -0.28 1.05 -2.16 -3.72 0.00 0.00 177.10 171.89 1xnk s PRO 54 N 2.68 3.39 0.85 0.43 0.04 -1.26 -5.01 135.00 136.12 1xnk s PRO 54 Ca 0.16 0.71 -0.12 0.00 0.04 0.00 0.00 61.00 61.79 1xnk s PRO 54 Cb -0.15 -2.06 0.13 0.00 0.04 0.00 0.00 34.50 32.46 1xnk s PRO 54 CO -0.18 -0.71 1.20 0.20 0.04 0.00 0.00 177.00 177.54 1xnk s GLY 55 N -4.19 1.71 0.16 0.56 0.00 0.06 -4.86 107.32 100.76 1xnk s GLY 55 Ca 0.56 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 44.25 1xnk s GLY 55 CO 0.54 -0.44 -0.01 -0.51 0.00 0.00 0.00 173.10 172.68 1xnk s THR 56 N -3.62 0.64 -0.34 0.90 -4.23 -1.26 -4.72 115.64 103.02 1xnk s THR 56 Ca 0.67 -1.97 0.21 0.00 -1.18 0.00 0.00 61.69 59.43 1xnk s THR 56 Cb -0.07 -2.04 0.27 0.00 1.34 0.00 0.00 72.50 72.00 1xnk s THR 56 CO 0.50 -0.54 1.58 0.44 -0.54 0.00 0.00 174.62 176.06 1xnk h ASP 57 N 2.75 0.00 -0.25 3.99 3.32 -1.99 -3.31 116.42 120.94 1xnk h ASP 57 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1xnk h ASP 57 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1xnk h ASP 57 CO 0.63 0.13 0.00 0.59 -1.72 0.00 0.00 179.24 178.86 1xnk n ASN 58 N -3.14 3.32 -4.75 6.45 3.02 -1.26 -1.84 115.26 117.07 1xnk n ASN 58 Ca 0.03 -2.63 -0.41 0.00 -0.03 0.00 0.00 54.58 51.54 1xnk n ASN 58 Cb 0.57 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 1xnk n ASN 58 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1xnk s ARG 59 N -2.13 4.47 -0.39 3.52 3.52 -1.25 -4.78 118.95 121.92 1xnk s ARG 59 Ca 0.32 1.99 -0.05 0.00 -0.13 0.00 0.00 55.73 57.87 1xnk s ARG 59 Cb 0.24 -3.16 0.09 0.00 -1.56 0.00 0.00 34.95 30.56 1xnk s ARG 59 CO 0.10 -0.06 0.19 0.08 -0.81 0.00 0.00 175.30 174.80 1xnk s VAL 60 N -0.68 3.63 -0.09 7.11 1.01 -1.26 -2.25 120.40 127.87 1xnk s VAL 60 Ca 0.50 -1.66 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 1xnk s VAL 60 Cb -0.35 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1xnk s VAL 60 CO 0.43 -0.51 0.65 -0.63 0.00 0.00 0.00 175.10 175.03 1xnk s ILE 61 N 1.28 5.07 -0.14 2.22 1.01 -0.29 -4.91 121.20 125.45 1xnk s ILE 61 Ca 0.04 1.31 0.02 0.00 0.00 0.00 0.00 60.65 62.02 1xnk s ILE 61 Cb -0.22 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1xnk s ILE 61 CO -0.01 0.25 -0.20 0.20 0.00 0.00 0.00 174.94 175.18 1xnk s ASN 62 N 0.80 3.35 0.15 3.58 0.01 -1.26 0.10 114.94 121.67 1xnk s ASN 62 Ca 0.34 -0.54 -0.05 0.00 -0.71 0.00 0.00 52.86 51.90 1xnk s ASN 62 Cb -0.17 -1.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.98 1xnk s ASN 62 CO 0.15 0.10 0.18 -0.72 -1.51 0.00 0.00 177.10 175.30 1xnk s TYR 63 N 0.71 0.61 0.04 2.20 1.13 -0.61 0.78 117.35 122.20 1xnk s TYR 63 Ca -0.09 -0.98 0.00 0.00 -1.41 0.00 0.00 57.07 54.60 1xnk s TYR 63 Cb -0.16 -0.25 -0.03 0.00 -1.10 0.00 0.00 41.96 40.42 1xnk s TYR 63 CO 0.01 -0.62 -0.04 0.95 -2.51 0.00 0.00 175.55 173.34 1xnk s THR 64 N -4.00 0.25 -0.22 -3.49 -4.23 -0.59 -1.23 115.64 102.13 1xnk s THR 64 Ca 0.20 -1.20 -0.19 0.00 -1.18 0.00 0.00 61.69 59.32 1xnk s THR 64 Cb 0.05 -0.68 0.06 0.00 1.34 0.00 0.00 72.50 73.27 1xnk s THR 64 CO 0.01 -0.60 0.57 0.00 -0.54 0.00 0.00 174.62 174.06 1xnk s ALA 65 N -2.09 -1.43 -0.71 3.99 0.00 -0.78 -1.12 121.76 119.61 1xnk s ALA 65 Ca -0.08 1.66 -0.07 0.00 0.00 0.00 0.00 51.96 53.46 1xnk s ALA 65 Cb -0.05 -0.96 0.18 0.00 0.00 0.00 0.00 23.12 22.29 1xnk s ALA 65 CO -0.03 -0.28 0.57 0.34 0.00 0.00 0.00 175.76 176.37 1xnk s ASP 66 N 0.40 5.82 -0.31 0.00 -1.08 0.14 -4.79 116.67 116.84 1xnk s ASP 66 Ca -0.01 -2.81 -0.09 0.00 -0.52 0.00 0.00 52.55 49.12 1xnk s ASP 66 Cb -0.04 -1.99 -0.00 0.00 -1.46 0.00 0.00 42.92 39.42 1xnk s ASP 66 CO -0.01 -0.44 0.15 -0.47 0.52 0.00 0.00 175.17 174.92 1xnk s TYR 67 N -0.00 3.18 -0.59 -5.34 5.04 -1.26 -1.67 117.35 116.71 1xnk s TYR 67 Ca 0.17 -0.65 0.06 0.00 -2.44 0.00 0.00 57.07 54.21 1xnk s TYR 67 Cb -0.16 -2.35 0.22 0.00 0.35 0.00 0.00 41.96 40.02 1xnk s TYR 67 CO -0.05 -0.49 0.59 0.54 -1.34 0.00 0.00 175.55 174.80 1xnk n ARG 68 N 4.97 1.73 -2.26 4.97 1.74 -0.23 -5.03 116.66 122.55 1xnk n ARG 68 Ca -0.14 -4.19 -0.28 0.00 -0.77 0.00 0.00 57.85 52.47 1xnk n ARG 68 Cb 0.49 -2.01 0.02 0.00 -1.02 0.00 0.00 32.46 29.93 1xnk n ARG 68 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xnk s PRO 69 N -1.66 3.28 -0.24 5.56 0.04 -1.26 -2.05 135.00 138.66 1xnk s PRO 69 Ca 0.34 0.32 -0.03 0.00 0.04 0.00 0.00 61.00 61.67 1xnk s PRO 69 Cb 0.09 -2.22 0.10 0.00 0.04 0.00 0.00 34.50 32.51 1xnk s PRO 69 CO -0.10 -0.57 0.20 1.21 0.04 0.00 0.00 177.00 177.79 1xnk s ASN 70 N -4.22 2.09 0.00 6.66 3.04 0.31 -4.93 114.94 117.89 1xnk s ASN 70 Ca 0.53 -0.67 0.00 0.00 0.04 0.00 0.00 52.86 52.76 1xnk s ASN 70 Cb -0.11 0.16 0.00 0.00 -1.54 0.00 0.00 41.25 39.77 1xnk s ASN 70 CO 0.48 -0.37 0.00 0.61 -3.04 0.00 0.00 177.10 174.78 1xnk n GLY 71 N 5.30 0.15 3.56 1.21 0.00 -1.26 -1.78 105.19 112.36 1xnk n GLY 71 Ca -0.05 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 1xnk n GLY 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xnk s ASN 72 N -4.00 6.13 -0.04 1.61 3.84 -1.26 -2.40 114.94 118.82 1xnk s ASN 72 Ca 0.00 -0.24 -0.28 0.00 0.21 0.00 0.00 52.86 52.55 1xnk s ASN 72 Cb 0.00 -2.56 0.06 0.00 -0.55 0.00 0.00 41.25 38.20 1xnk s ASN 72 CO 0.00 -1.82 0.60 -0.55 -2.79 0.00 0.00 177.10 172.54 1xnk s SER 73 N 4.02 -0.56 0.10 -4.21 0.15 -1.26 -1.16 113.70 110.78 1xnk s SER 73 Ca 0.40 0.58 -0.07 0.00 0.70 0.00 0.00 55.95 57.57 1xnk s SER 73 Cb -0.08 0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 64.70 1xnk s SER 73 CO 0.18 -0.58 0.16 -0.72 1.20 0.00 0.00 173.24 173.48 1xnk s TYR 74 N -1.23 0.34 -0.15 3.44 -0.85 -0.80 -0.64 117.35 117.46 1xnk s TYR 74 Ca -0.12 -0.77 0.02 0.00 -0.52 0.00 0.00 57.07 55.68 1xnk s TYR 74 Cb -0.01 -0.16 0.01 0.00 0.38 0.00 0.00 41.96 42.19 1xnk s TYR 74 CO 0.09 -0.55 -0.21 -1.17 -1.52 0.00 0.00 175.55 172.19 1xnk s LEU 75 N -2.91 2.09 0.08 -3.49 2.96 0.12 -0.89 118.68 116.63 1xnk s LEU 75 Ca 0.10 -0.61 -0.26 0.00 -0.22 0.00 0.00 54.13 53.14 1xnk s LEU 75 Cb 0.05 -1.44 0.09 0.00 0.50 0.00 0.00 46.19 45.39 1xnk s LEU 75 CO -0.07 0.05 0.74 0.00 -1.32 0.00 0.00 176.35 175.75 1xnk s ALA 76 N 1.01 -1.71 0.08 5.97 0.00 -0.08 -0.99 121.76 126.05 1xnk s ALA 76 Ca -0.02 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 1xnk s ALA 76 Cb -0.15 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 1xnk s ALA 76 CO -0.06 -0.73 0.96 0.08 0.00 0.00 0.00 175.76 176.00 1xnk s VAL 77 N -3.44 4.59 -0.01 0.00 1.01 -0.39 0.07 120.40 122.24 1xnk s VAL 77 Ca 0.03 2.06 0.01 0.00 0.00 0.00 0.00 61.98 64.08 1xnk s VAL 77 Cb -0.01 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1xnk s VAL 77 CO -0.11 0.28 -0.04 -0.47 0.00 0.00 0.00 175.10 174.77 1xnk s TYR 78 N 0.23 0.39 0.16 5.22 5.04 0.13 -0.65 117.35 127.86 1xnk s TYR 78 Ca 0.48 -0.07 -0.15 0.00 -2.44 0.00 0.00 57.07 54.89 1xnk s TYR 78 Cb -0.23 -0.28 0.05 0.00 0.35 0.00 0.00 41.96 41.85 1xnk s TYR 78 CO 0.29 -0.03 0.74 0.41 -1.34 0.00 0.00 175.55 175.62 1xnk n GLY 79 N 3.18 0.84 3.10 8.97 0.00 -0.82 -0.29 105.19 120.17 1xnk n GLY 79 Ca -0.15 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 1xnk n GLY 79 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xnk s TRP 80 N -3.22 0.62 0.17 1.61 0.52 -0.70 -1.09 118.94 116.87 1xnk s TRP 80 Ca 0.16 -0.92 0.03 0.00 0.02 0.00 0.00 56.10 55.39 1xnk s TRP 80 Cb -0.02 -0.41 -0.05 0.00 -1.15 0.00 0.00 33.47 31.84 1xnk s TRP 80 CO 0.05 -0.27 -0.02 0.95 0.02 0.00 0.00 176.95 177.68 1xnk s THR 81 N -3.38 0.83 0.17 2.01 -4.23 -0.51 -0.51 115.64 110.02 1xnk s THR 81 Ca 0.05 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.63 1xnk s THR 81 Cb 0.04 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 1xnk s THR 81 CO -0.07 -0.52 -0.14 -0.13 -0.54 0.00 0.00 174.62 173.23 1xnk s ARG 82 N -3.87 1.19 -0.87 3.99 0.52 0.24 -1.60 118.95 118.54 1xnk s ARG 82 Ca 0.23 -1.45 -0.05 0.00 -0.52 0.00 0.00 55.73 53.93 1xnk s ARG 82 Cb 0.05 -0.99 -0.00 0.00 0.52 0.00 0.00 34.95 34.53 1xnk s ARG 82 CO 0.04 0.17 0.67 -1.71 0.02 0.00 0.00 175.30 174.49 1xnk n ASN 83 N -0.03 -5.86 -4.90 0.23 5.15 -1.26 -1.42 115.26 107.17 1xnk n ASN 83 Ca -0.11 -0.71 -0.28 0.00 -0.60 0.00 0.00 54.58 52.88 1xnk n ASN 83 Cb 0.59 -3.16 0.02 0.00 -0.53 0.00 0.00 39.78 36.70 1xnk n ASN 83 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1xnk s PRO 84 N -4.62 3.21 -0.04 1.20 0.04 -1.26 -2.42 135.00 131.11 1xnk s PRO 84 Ca 0.11 0.31 -0.30 0.00 0.04 0.00 0.00 61.00 61.16 1xnk s PRO 84 Cb -0.04 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1xnk s PRO 84 CO 0.85 -0.62 1.34 -1.17 0.04 0.00 0.00 177.00 177.44 1xnk s LEU 85 N -5.05 4.29 -0.01 -3.56 2.96 -1.26 -4.68 118.68 111.37 1xnk s LEU 85 Ca 0.53 1.97 -0.01 0.00 -0.22 0.00 0.00 54.13 56.40 1xnk s LEU 85 Cb -0.11 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1xnk s LEU 85 CO 0.48 -0.70 0.03 -0.63 -1.32 0.00 0.00 176.35 174.22 1xnk s ILE 86 N 2.61 0.01 -0.09 6.68 -1.09 -0.63 -4.08 121.20 124.61 1xnk s ILE 86 Ca 0.61 -0.11 0.02 0.00 -2.23 0.00 0.00 60.65 58.94 1xnk s ILE 86 Cb -0.28 -0.09 -0.02 0.00 -1.58 0.00 0.00 42.46 40.49 1xnk s ILE 86 CO 0.24 -0.06 -0.16 -0.70 -1.23 0.00 0.00 174.94 173.02 1xnk s GLU 87 N -0.17 2.99 0.08 2.79 2.12 -0.99 -1.42 118.70 124.10 1xnk s GLU 87 Ca -0.02 -0.73 0.02 0.00 0.36 0.00 0.00 54.97 54.60 1xnk s GLU 87 Cb -0.01 -2.47 -0.04 0.00 0.26 0.00 0.00 34.13 31.87 1xnk s GLU 87 CO -0.00 0.35 -0.07 1.52 -0.54 0.00 0.00 175.26 176.52 1xnk s TYR 88 N -0.04 0.84 -0.03 5.30 -0.85 -0.25 -0.81 117.35 121.52 1xnk s TYR 88 Ca -0.04 -0.78 -0.03 0.00 -0.52 0.00 0.00 57.07 55.69 1xnk s TYR 88 Cb -0.14 -0.49 0.01 0.00 0.38 0.00 0.00 41.96 41.72 1xnk s TYR 88 CO 0.04 -0.12 0.09 0.71 -1.52 0.00 0.00 175.55 174.75 1xnk s TYR 89 N -2.93 -0.08 -0.42 -3.49 1.51 -0.30 -1.94 117.35 109.69 1xnk s TYR 89 Ca 0.05 0.20 0.04 0.00 -1.01 0.00 0.00 57.07 56.35 1xnk s TYR 89 Cb 0.01 0.02 0.11 0.00 -0.11 0.00 0.00 41.96 41.99 1xnk s TYR 89 CO -0.03 -0.06 0.15 0.08 -1.11 0.00 0.00 175.55 174.58 1xnk s VAL 90 N -0.06 2.36 -0.31 0.71 1.01 0.17 -1.29 120.40 122.99 1xnk s VAL 90 Ca -0.01 -2.78 -0.29 0.00 0.00 0.00 0.00 61.98 58.90 1xnk s VAL 90 Cb -0.01 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.69 1xnk s VAL 90 CO 0.00 -0.70 1.17 -0.69 0.00 0.00 0.00 175.10 174.87 1xnk s VAL 91 N 0.35 4.36 -0.08 2.92 1.01 0.92 -1.26 120.40 128.63 1xnk s VAL 91 Ca 0.14 1.56 0.04 0.00 0.00 0.00 0.00 61.98 63.72 1xnk s VAL 91 Cb -0.22 -4.31 -0.24 0.00 0.00 0.00 0.00 36.38 31.60 1xnk s VAL 91 CO -0.05 -0.48 0.54 -0.62 0.00 0.00 0.00 175.10 174.50 1xnk n GLU 92 N 7.04 0.69 -3.61 2.72 -0.58 -0.16 -1.83 120.64 124.91 1xnk n GLU 92 Ca 0.13 0.28 -0.16 0.00 -0.42 0.00 0.00 57.16 56.99 1xnk n GLU 92 Cb 0.47 -1.76 -0.07 0.00 -0.57 0.00 0.00 31.44 29.51 1xnk n GLU 92 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1xnk s SER 93 N -6.51 -0.54 0.23 1.62 0.15 -1.08 -1.27 113.70 106.29 1xnk s SER 93 Ca -0.12 0.67 -0.07 0.00 0.70 0.00 0.00 55.95 57.12 1xnk s SER 93 Cb 0.07 0.63 -0.02 0.00 -1.71 0.00 0.00 66.02 64.99 1xnk s SER 93 CO 0.80 -0.49 0.32 0.72 1.20 0.00 0.00 173.24 175.79 1xnk s PHE 94 N -0.92 0.75 0.00 3.44 -0.12 -1.26 -0.71 117.98 119.17 1xnk s PHE 94 Ca -0.09 -1.04 0.00 0.00 -0.05 0.00 0.00 56.93 55.74 1xnk s PHE 94 Cb -0.02 -0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.21 1xnk s PHE 94 CO 0.07 -0.84 0.00 0.41 -0.05 0.00 0.00 175.22 174.81 1xnk n GLY 95 N -0.34 0.71 0.00 1.99 0.00 0.19 -4.91 105.19 102.83 1xnk n GLY 95 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1xnk n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xnk n THR 96 N 0.00 0.00 -3.56 2.61 -2.24 -1.01 -4.58 114.28 105.51 1xnk n THR 96 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1xnk n THR 96 Cb 0.00 -0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 67.75 1xnk n THR 96 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1xnk s TYR 97 N -2.00 -0.51 -0.25 4.78 5.04 -1.26 -4.94 117.35 118.22 1xnk s TYR 97 Ca 0.10 0.82 -0.29 0.00 -2.44 0.00 0.00 57.07 55.26 1xnk s TYR 97 Cb 0.04 -0.07 -0.01 0.00 0.35 0.00 0.00 41.96 42.27 1xnk s TYR 97 CO 0.07 -0.50 1.47 0.34 -1.34 0.00 0.00 175.55 175.59 1xnk s ASP 98 N 2.44 6.54 0.18 4.32 -1.08 -1.26 -4.85 116.67 122.96 1xnk s ASP 98 Ca 0.05 1.47 0.13 0.00 -0.52 0.00 0.00 52.55 53.67 1xnk s ASP 98 Cb -0.14 -2.54 0.69 0.00 -1.46 0.00 0.00 42.92 39.47 1xnk s ASP 98 CO -0.11 -1.15 1.40 -0.81 0.52 0.00 0.00 175.17 175.02 1xnk n PRO 99 N 7.44 0.08 0.00 4.34 -0.04 -1.26 -1.53 135.00 144.04 1xnk n PRO 99 Ca 0.17 0.56 0.13 0.00 -0.04 0.00 0.00 63.50 64.32 1xnk n PRO 99 Cb 0.46 -1.76 0.49 0.00 -0.04 0.00 0.00 33.50 32.65 1xnk n PRO 99 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xnk n SER 100 N -1.93 0.18 -4.62 3.54 3.41 -1.26 -4.87 113.62 108.06 1xnk n SER 100 Ca -0.00 0.24 -0.49 0.00 -0.26 0.00 0.00 58.87 58.35 1xnk n SER 100 Cb 0.04 -0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 63.70 1xnk n SER 100 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1xnk n THR 101 N -1.50 0.24 0.00 6.66 -1.04 -0.58 -0.51 114.28 117.54 1xnk n THR 101 Ca 0.06 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1xnk n THR 101 Cb 0.34 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 1xnk n THR 101 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xnk n GLY 102 N 2.64 2.78 3.88 3.41 0.00 -1.26 -5.03 105.19 111.60 1xnk n GLY 102 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1xnk n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnk s ALA 103 N -2.13 3.35 -0.11 4.61 0.00 0.33 -4.99 121.76 122.82 1xnk s ALA 103 Ca 0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.52 1xnk s ALA 103 Cb 0.00 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 1xnk s ALA 103 CO 0.00 -0.01 0.70 0.99 0.00 0.00 0.00 175.76 177.44 1xnk s THR 104 N -2.37 5.03 0.13 0.00 2.01 -0.79 -4.85 115.64 114.79 1xnk s THR 104 Ca 0.51 1.40 -0.30 0.00 0.31 0.00 0.00 61.69 63.61 1xnk s THR 104 Cb -0.10 -4.03 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 1xnk s THR 104 CO 0.31 0.20 1.19 -0.60 -0.69 0.00 0.00 174.62 175.03 1xnk s ARG 105 N 1.19 4.48 -0.16 4.92 3.52 -1.26 -1.23 118.95 130.40 1xnk s ARG 105 Ca 0.35 1.82 0.16 0.00 -0.13 0.00 0.00 55.73 57.94 1xnk s ARG 105 Cb -0.17 -3.29 0.35 0.00 -1.56 0.00 0.00 34.95 30.28 1xnk s ARG 105 CO 0.15 -0.15 1.20 -1.33 -0.81 0.00 0.00 175.30 174.37 1xnk n MET 106 N 3.12 1.50 0.00 5.12 2.81 0.14 -4.95 117.12 124.86 1xnk n MET 106 Ca 0.06 -2.82 0.00 0.00 -1.81 0.00 0.00 57.70 53.14 1xnk n MET 106 Cb 0.45 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 1xnk n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xnk n GLY 107 N -1.28 0.01 3.48 3.03 0.00 -1.25 -4.86 105.19 104.33 1xnk n GLY 107 Ca 0.18 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 1xnk n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xnk s SER 108 N -4.00 -0.16 -0.01 1.61 1.04 -1.26 -0.52 113.70 110.41 1xnk s SER 108 Ca 0.00 -0.63 -0.01 0.00 0.48 0.00 0.00 55.95 55.79 1xnk s SER 108 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1xnk s SER 108 CO 0.00 -1.02 0.01 0.54 0.98 0.00 0.00 173.24 173.75 1xnk s VAL 109 N -3.91 0.00 -0.24 5.02 0.11 0.36 -4.91 120.40 116.83 1xnk s VAL 109 Ca 0.13 -0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.12 1xnk s VAL 109 Cb 0.00 -0.03 -0.01 0.00 -1.53 0.00 0.00 36.38 34.81 1xnk s VAL 109 CO -0.01 -0.00 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.86 1xnk s THR 110 N -0.01 3.61 -0.07 5.04 2.01 -1.26 -0.26 115.64 124.71 1xnk s THR 110 Ca -0.00 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.22 1xnk s THR 110 Cb -0.00 -2.69 0.07 0.00 0.01 0.00 0.00 72.50 69.89 1xnk s THR 110 CO 0.00 0.35 0.68 0.28 -0.69 0.00 0.00 174.62 175.24 1xnk s THR 111 N 1.50 0.00 -1.40 -0.82 -1.32 -0.13 -4.98 115.64 108.50 1xnk s THR 111 Ca 0.05 -0.01 -0.07 0.00 -1.21 0.00 0.00 61.69 60.46 1xnk s THR 111 Cb -0.15 -0.99 0.04 0.00 -1.51 0.00 0.00 72.50 69.89 1xnk s THR 111 CO -0.01 -0.00 0.90 0.47 -2.21 0.00 0.00 174.62 173.76 1xnk n ASP 112 N 1.10 -3.39 -0.01 8.08 8.00 -1.26 -1.70 116.55 127.37 1xnk n ASP 112 Ca -0.19 -0.75 -0.00 0.00 0.71 0.00 0.00 54.79 54.56 1xnk n ASP 112 Cb 0.57 -4.19 -0.00 0.00 -0.02 0.00 0.00 41.12 37.48 1xnk n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xnk n GLY 113 N -1.65 0.24 3.28 0.44 0.00 -1.26 -4.91 105.19 101.32 1xnk n GLY 113 Ca -0.12 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1xnk n GLY 113 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xnk s GLY 114 N -2.01 1.70 -0.04 -0.02 0.00 -0.69 -5.12 107.32 101.14 1xnk s GLY 114 Ca 0.00 -1.80 0.06 0.00 0.00 0.00 0.00 44.72 42.98 1xnk s GLY 114 CO 0.00 -1.52 -0.20 -1.59 0.00 0.00 0.00 173.10 169.78 1xnk s THR 115 N -3.87 1.65 -0.05 0.90 2.01 -1.26 -0.95 115.64 114.07 1xnk s THR 115 Ca 0.38 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.56 1xnk s THR 115 Cb 0.07 -1.39 0.00 0.00 0.01 0.00 0.00 72.50 71.19 1xnk s THR 115 CO 0.14 0.47 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.08 1xnk s TYR 116 N -0.21 1.56 0.15 4.92 1.51 0.64 -1.12 117.35 124.81 1xnk s TYR 116 Ca 0.01 -0.47 -0.23 0.00 -1.01 0.00 0.00 57.07 55.37 1xnk s TYR 116 Cb -0.11 -1.08 -0.08 0.00 -0.11 0.00 0.00 41.96 40.59 1xnk s TYR 116 CO 0.01 -0.18 0.72 -0.80 -1.11 0.00 0.00 175.55 174.19 1xnk s ASN 117 N 0.18 7.25 -0.11 2.29 0.01 -0.61 -0.49 114.94 123.46 1xnk s ASN 117 Ca -0.06 1.51 -0.05 0.00 -0.71 0.00 0.00 52.86 53.55 1xnk s ASN 117 Cb -0.12 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 1xnk s ASN 117 CO 0.02 0.19 0.09 -0.63 -1.51 0.00 0.00 177.10 175.27 1xnk s ILE 118 N -1.21 5.06 0.05 0.60 -1.09 0.32 -0.96 121.20 123.97 1xnk s ILE 118 Ca 0.35 0.04 -0.01 0.00 -2.23 0.00 0.00 60.65 58.81 1xnk s ILE 118 Cb -0.21 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.44 1xnk s ILE 118 CO 0.24 0.60 -0.03 -0.31 -1.23 0.00 0.00 174.94 174.21 1xnk s TYR 119 N -0.89 0.50 -0.03 3.97 1.51 -0.25 0.28 117.35 122.44 1xnk s TYR 119 Ca 0.14 -1.02 -0.02 0.00 -1.01 0.00 0.00 57.07 55.15 1xnk s TYR 119 Cb -0.12 -0.37 0.01 0.00 -0.11 0.00 0.00 41.96 41.37 1xnk s TYR 119 CO 0.03 -0.36 0.08 0.50 -1.11 0.00 0.00 175.55 174.69 1xnk s ARG 120 N -3.71 0.07 -0.01 -0.62 3.52 -0.36 -0.74 118.95 117.10 1xnk s ARG 120 Ca 0.05 0.15 -0.12 0.00 -0.13 0.00 0.00 55.73 55.68 1xnk s ARG 120 Cb 0.06 -0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.45 1xnk s ARG 120 CO -0.09 -0.05 0.26 -0.08 -0.81 0.00 0.00 175.30 174.52 1xnk s THR 121 N 0.32 0.06 -0.11 4.11 -1.32 -0.75 -1.89 115.64 116.07 1xnk s THR 121 Ca -0.02 -0.53 -0.11 0.00 -1.21 0.00 0.00 61.69 59.81 1xnk s THR 121 Cb -0.04 -0.56 -0.05 0.00 -1.51 0.00 0.00 72.50 70.35 1xnk s THR 121 CO -0.01 -0.29 0.24 -1.58 -2.21 0.00 0.00 174.62 170.77 1xnk s GLN 122 N -1.33 3.88 -0.23 7.08 0.74 -1.26 -0.01 119.66 128.53 1xnk s GLN 122 Ca -0.14 0.05 -0.07 0.00 0.05 0.00 0.00 55.36 55.25 1xnk s GLN 122 Cb -0.06 -3.29 -0.03 0.00 1.10 0.00 0.00 33.01 30.73 1xnk s GLN 122 CO 0.03 0.54 0.05 1.03 -0.55 0.00 0.00 175.29 176.39 1xnk s ARG 123 N -0.43 3.65 -0.25 1.67 1.81 0.15 -4.96 118.95 120.58 1xnk s ARG 123 Ca 0.17 -0.49 -0.09 0.00 -1.72 0.00 0.00 55.73 53.60 1xnk s ARG 123 Cb -0.13 -3.24 -0.04 0.00 -0.45 0.00 0.00 34.95 31.09 1xnk s ARG 123 CO 0.05 -0.12 0.11 0.08 -0.68 0.00 0.00 175.30 174.74 1xnk s VAL 124 N 1.40 4.74 -1.26 3.52 1.01 -1.26 -0.69 120.40 127.85 1xnk s VAL 124 Ca 0.05 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 1xnk s VAL 124 Cb -0.15 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1xnk s VAL 124 CO 0.03 0.33 0.61 0.59 0.00 0.00 0.00 175.10 176.66 1xnk n ASN 125 N 4.73 -3.17 -4.55 3.32 5.03 -0.87 -4.91 115.26 114.83 1xnk n ASN 125 Ca -0.15 -1.08 -0.24 0.00 0.87 0.00 0.00 54.58 53.98 1xnk n ASN 125 Cb 0.52 -2.87 -0.09 0.00 -1.02 0.00 0.00 39.78 36.32 1xnk n ASN 125 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xnk s ALA 126 N -3.68 2.96 0.50 5.41 0.00 0.32 -4.70 121.76 122.57 1xnk s ALA 126 Ca 0.30 -1.83 -0.23 0.00 0.00 0.00 0.00 51.96 50.21 1xnk s ALA 126 Cb -0.13 -0.43 -0.06 0.00 0.00 0.00 0.00 23.12 22.50 1xnk s ALA 126 CO 0.90 0.23 1.35 -1.25 0.00 0.00 0.00 175.76 176.99 1xnk s PRO 127 N -3.60 3.40 0.36 0.00 0.04 -1.26 -1.23 135.00 132.70 1xnk s PRO 127 Ca 0.31 2.22 -0.10 0.00 0.04 0.00 0.00 61.00 63.47 1xnk s PRO 127 Cb -0.04 -2.40 0.04 0.00 0.04 0.00 0.00 34.50 32.14 1xnk s PRO 127 CO 0.17 -0.98 0.66 -1.13 0.04 0.00 0.00 177.00 175.76 1xnk n SER 128 N -0.69 -1.90 0.00 6.66 3.41 -0.65 -4.86 113.62 115.59 1xnk n SER 128 Ca 0.08 -2.59 0.10 0.00 -0.26 0.00 0.00 58.87 56.20 1xnk n SER 128 Cb 0.45 3.24 0.51 0.00 -0.26 0.00 0.00 64.21 68.15 1xnk n SER 128 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1xnk n ILE 129 N -0.52 0.32 -1.49 -1.33 -5.35 -1.26 -2.45 119.36 107.28 1xnk n ILE 129 Ca -0.06 0.08 0.07 0.00 -0.27 0.00 0.00 62.75 62.57 1xnk n ILE 129 Cb 0.56 -0.76 0.14 0.00 -1.74 0.00 0.00 39.64 37.83 1xnk n ILE 129 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1xnk n GLU 130 N -1.22 1.12 0.00 6.28 1.02 -1.26 -5.11 120.64 121.47 1xnk n GLU 130 Ca 0.10 -2.60 0.00 0.00 -0.02 0.00 0.00 57.16 54.65 1xnk n GLU 130 Cb 0.13 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1xnk n GLU 130 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xnk n GLY 131 N -0.99 -1.78 3.63 0.62 0.00 -1.03 -4.82 105.19 100.82 1xnk n GLY 131 Ca 0.14 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 1xnk n GLY 131 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xnk s THR 132 N 0.00 4.20 0.22 2.61 2.01 -1.26 -1.64 115.64 121.78 1xnk s THR 132 Ca 0.00 1.34 -0.06 0.00 0.31 0.00 0.00 61.69 63.28 1xnk s THR 132 Cb 0.00 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 1xnk s THR 132 CO 0.00 -0.57 0.27 -0.54 -0.69 0.00 0.00 174.62 173.09 1xnk s LYS 133 N 4.17 1.33 -0.19 4.92 -0.14 -0.37 -4.81 119.74 124.65 1xnk s LYS 133 Ca 0.53 -1.47 -0.04 0.00 -1.36 0.00 0.00 55.97 53.64 1xnk s LYS 133 Cb -0.14 0.35 -0.02 0.00 -1.68 0.00 0.00 37.83 36.34 1xnk s LYS 133 CO 0.23 -0.49 -0.04 0.99 -0.76 0.00 0.00 175.35 175.29 1xnk s THR 134 N -4.10 3.64 0.19 2.17 2.01 -1.26 -0.52 115.64 117.78 1xnk s THR 134 Ca 0.32 -0.42 -0.17 0.00 0.31 0.00 0.00 61.69 61.73 1xnk s THR 134 Cb 0.04 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.94 1xnk s THR 134 CO 0.10 0.45 0.50 0.72 -0.69 0.00 0.00 174.62 175.70 1xnk s PHE 135 N 0.98 -0.07 0.13 4.92 -0.71 0.13 -4.94 117.98 118.43 1xnk s PHE 135 Ca 0.00 -0.28 -0.07 0.00 -1.04 0.00 0.00 56.93 55.54 1xnk s PHE 135 Cb -0.15 0.35 -0.06 0.00 -1.21 0.00 0.00 43.02 41.96 1xnk s PHE 135 CO 0.01 -0.90 0.41 0.71 -1.34 0.00 0.00 175.22 174.11 1xnk s TYR 136 N -3.88 3.50 -0.08 3.49 2.02 -1.26 0.35 117.35 121.49 1xnk s TYR 136 Ca 0.10 0.69 0.02 0.00 -0.37 0.00 0.00 57.07 57.51 1xnk s TYR 136 Cb -0.01 -2.10 -0.02 0.00 -0.40 0.00 0.00 41.96 39.43 1xnk s TYR 136 CO -0.02 0.44 -0.13 -0.65 -1.57 0.00 0.00 175.55 173.61 1xnk s GLN 137 N -2.41 2.85 -0.05 -0.62 -0.21 0.99 -2.34 119.66 117.86 1xnk s GLN 137 Ca 0.39 -0.68 0.04 0.00 0.02 0.00 0.00 55.36 55.13 1xnk s GLN 137 Cb -0.13 -2.49 -0.03 0.00 1.00 0.00 0.00 33.01 31.37 1xnk s GLN 137 CO 0.22 0.48 -0.14 0.71 -2.12 0.00 0.00 175.29 174.44 1xnk s TYR 138 N -0.35 2.71 0.04 0.91 1.51 0.01 -1.80 117.35 120.37 1xnk s TYR 138 Ca 0.04 -0.15 0.05 0.00 -1.01 0.00 0.00 57.07 56.00 1xnk s TYR 138 Cb -0.12 -1.63 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 1xnk s TYR 138 CO 0.02 0.19 -0.16 -1.58 -1.11 0.00 0.00 175.55 172.92 1xnk s TRP 139 N -0.74 1.36 -0.14 2.71 0.52 0.08 -1.15 118.94 121.59 1xnk s TRP 139 Ca 0.12 -0.35 -0.01 0.00 0.02 0.00 0.00 56.10 55.88 1xnk s TRP 139 Cb -0.11 -0.81 0.04 0.00 -1.15 0.00 0.00 33.47 31.44 1xnk s TRP 139 CO 0.01 0.04 -0.04 -1.12 0.02 0.00 0.00 176.95 175.85 1xnk s SER 140 N -1.08 2.46 -0.20 2.95 0.01 -0.41 -1.09 113.70 116.34 1xnk s SER 140 Ca 0.03 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.81 1xnk s SER 140 Cb -0.08 -0.80 0.02 0.00 0.21 0.00 0.00 66.02 65.38 1xnk s SER 140 CO 0.01 -0.18 -0.17 -0.69 0.41 0.00 0.00 173.24 172.63 1xnk s VAL 141 N 1.72 2.24 0.27 3.43 1.01 -0.14 -0.05 120.40 128.88 1xnk s VAL 141 Ca 0.02 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 1xnk s VAL 141 Cb -0.14 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.12 1xnk s VAL 141 CO -0.08 0.44 1.46 -0.60 0.00 0.00 0.00 175.10 176.33 1xnk s ARG 142 N 1.29 4.24 0.43 2.72 3.52 -0.76 -1.57 118.95 128.81 1xnk s ARG 142 Ca 0.03 2.36 0.27 0.00 -0.13 0.00 0.00 55.73 58.27 1xnk s ARG 142 Cb -0.14 -3.08 0.82 0.00 -1.56 0.00 0.00 34.95 30.99 1xnk s ARG 142 CO -0.11 -0.45 1.77 1.79 -0.81 0.00 0.00 175.30 177.49 1xnk h THR 143 N 3.45 0.00 -3.19 4.11 1.35 -1.48 -3.41 112.91 113.74 1xnk h THR 143 Ca -0.47 -0.68 -0.58 0.00 -0.55 0.00 0.00 66.41 64.13 1xnk h THR 143 Cb 1.22 1.65 -0.36 0.00 -1.73 0.00 0.00 68.15 68.93 1xnk h THR 143 CO 0.77 0.00 -0.82 -0.55 -0.25 0.00 0.00 175.52 174.67 1xnk s SER 144 N -5.60 2.68 0.44 5.36 0.15 -1.26 -5.10 113.70 110.38 1xnk s SER 144 Ca 0.05 -0.52 -0.24 0.00 0.70 0.00 0.00 55.95 55.94 1xnk s SER 144 Cb 0.08 -1.08 -0.08 0.00 -1.71 0.00 0.00 66.02 63.23 1xnk s SER 144 CO 0.59 -0.10 1.22 -0.54 1.20 0.00 0.00 173.24 175.61 1xnk s LYS 145 N 1.54 3.82 0.12 5.44 1.02 -1.26 -4.94 119.74 125.48 1xnk s LYS 145 Ca 0.04 1.93 -0.16 0.00 0.02 0.00 0.00 55.97 57.80 1xnk s LYS 145 Cb -0.13 -2.55 0.04 0.00 -0.52 0.00 0.00 37.83 34.66 1xnk s LYS 145 CO -0.10 -0.54 0.41 -0.98 -0.92 0.00 0.00 175.35 173.22 1xnk s ARG 146 N -2.50 1.06 -0.33 1.68 1.70 -0.40 -5.00 118.95 115.16 1xnk s ARG 146 Ca 0.61 -0.66 0.12 0.00 -0.47 0.00 0.00 55.73 55.32 1xnk s ARG 146 Cb -0.33 0.47 0.46 0.00 -0.57 0.00 0.00 34.95 34.98 1xnk s ARG 146 CO 0.41 -0.41 1.11 0.25 -1.08 0.00 0.00 175.30 175.58 1xnk n THR 147 N -0.14 1.94 0.00 4.99 -2.24 -1.26 -3.94 114.28 113.63 1xnk n THR 147 Ca -0.16 -3.93 0.00 0.00 -2.27 0.00 0.00 64.05 57.68 1xnk n THR 147 Cb 0.63 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1xnk n THR 147 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xnk n GLY 148 N -0.51 3.18 0.00 3.38 0.00 -1.26 -1.87 105.19 108.10 1xnk n GLY 148 Ca 0.29 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1xnk n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnk n GLY 149 N -0.81 0.61 3.49 -0.02 0.00 -0.37 -4.99 105.19 103.09 1xnk n GLY 149 Ca 0.00 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 1xnk n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xnk s THR 150 N -3.26 3.13 -0.23 2.61 2.01 -1.26 -1.57 115.64 117.08 1xnk s THR 150 Ca 0.00 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1xnk s THR 150 Cb 0.00 -2.23 0.05 0.00 0.01 0.00 0.00 72.50 70.33 1xnk s THR 150 CO 0.00 0.59 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.74 1xnk s VAL 151 N -0.74 1.74 -0.80 3.82 1.01 0.12 -4.78 120.40 120.76 1xnk s VAL 151 Ca 0.12 -1.23 -0.20 0.00 0.00 0.00 0.00 61.98 60.66 1xnk s VAL 151 Cb -0.11 -1.88 0.11 0.00 0.00 0.00 0.00 36.38 34.50 1xnk s VAL 151 CO 0.01 0.04 1.02 -0.89 0.00 0.00 0.00 175.10 175.27 1xnk s THR 152 N 1.32 4.63 0.40 3.92 2.01 -1.26 -1.14 115.64 125.53 1xnk s THR 152 Ca -0.05 -1.15 0.13 0.00 0.31 0.00 0.00 61.69 60.94 1xnk s THR 152 Cb -0.18 -4.71 0.34 0.00 0.01 0.00 0.00 72.50 67.96 1xnk s THR 152 CO -0.07 -1.44 1.92 0.24 -0.69 0.00 0.00 174.62 174.59 1xnk h MET 153 N 9.09 0.50 -0.93 4.92 2.86 -1.73 -2.17 114.93 127.47 1xnk h MET 153 Ca -0.04 -0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.70 1xnk h MET 153 Cb 1.05 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.52 1xnk h MET 153 CO 1.12 0.33 0.59 0.00 1.06 0.00 0.00 176.91 180.02 1xnk h ALA 154 N 1.64 1.70 -0.23 6.32 0.00 -1.57 0.27 119.26 127.39 1xnk h ALA 154 Ca 0.36 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1xnk h ALA 154 Cb 0.69 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1xnk h ALA 154 CO -0.13 0.07 -0.28 -0.91 0.00 0.00 0.00 179.25 177.99 1xnk h ASN 155 N 0.82 0.46 -0.02 0.00 2.35 -1.68 -1.16 115.58 116.35 1xnk h ASN 155 Ca 0.46 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 56.02 1xnk h ASN 155 Cb 0.60 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1xnk h ASN 155 CO -0.23 0.73 -0.11 0.45 -1.65 0.00 0.00 177.43 176.62 1xnk h HIS 156 N 0.40 0.16 -1.01 1.19 3.86 -1.18 -2.78 115.15 115.78 1xnk h HIS 156 Ca 0.05 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1xnk h HIS 156 Cb 0.70 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 29.10 1xnk h HIS 156 CO 0.02 0.77 0.67 0.74 0.86 0.00 0.00 177.93 180.99 1xnk h PHE 157 N -0.50 1.27 -0.49 2.45 0.04 -0.99 0.10 116.94 118.81 1xnk h PHE 157 Ca -0.01 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1xnk h PHE 157 Cb 0.78 -0.43 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 1xnk h PHE 157 CO 0.15 0.79 0.08 -0.91 -0.60 0.00 0.00 178.31 177.82 1xnk h ASN 158 N 1.36 0.72 -0.26 2.17 2.35 -1.26 0.11 115.58 120.77 1xnk h ASN 158 Ca 0.37 -0.14 -0.13 0.00 -0.55 0.00 0.00 56.30 55.86 1xnk h ASN 158 Cb -0.15 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.03 1xnk h ASN 158 CO -0.08 0.74 -0.34 0.00 -1.65 0.00 0.00 177.43 176.09 1xnk h ALA 159 N 1.36 0.40 -0.24 -0.83 0.00 -1.07 -3.17 119.26 115.70 1xnk h ALA 159 Ca 0.16 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1xnk h ALA 159 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xnk h ALA 159 CO 0.00 0.45 -0.31 -1.49 0.00 0.00 0.00 179.25 177.91 1xnk h TRP 160 N 0.43 0.56 -0.70 0.00 6.55 -0.65 -2.98 115.95 119.16 1xnk h TRP 160 Ca 0.03 -0.13 0.03 0.00 0.95 0.00 0.00 58.89 59.77 1xnk h TRP 160 Cb 0.92 -0.13 -0.04 0.00 -0.86 0.00 0.00 29.16 29.05 1xnk h TRP 160 CO 0.08 0.75 0.43 0.00 -1.05 0.00 0.00 178.44 178.65 1xnk h ARG 161 N 0.42 0.82 0.00 0.49 3.08 -0.77 0.30 114.38 118.73 1xnk h ARG 161 Ca 0.05 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xnk h ARG 161 Cb 0.75 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1xnk h ARG 161 CO 0.06 0.54 -0.01 1.96 -1.07 0.00 0.00 179.97 181.45 1xnk h GLN 162 N 0.84 0.00 -0.08 0.04 4.20 -1.51 -1.39 115.11 117.20 1xnk h GLN 162 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1xnk h GLN 162 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1xnk h GLN 162 CO -0.11 0.01 0.00 0.00 -0.67 0.00 0.00 178.83 178.06 1xnk n ALA 163 N -2.10 2.57 0.00 3.87 0.00 0.98 -4.89 120.51 120.94 1xnk n ALA 163 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1xnk n ALA 163 Cb 0.23 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1xnk n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnk n GLY 164 N 1.08 0.91 3.69 0.00 0.00 -0.53 -5.05 105.19 105.28 1xnk n GLY 164 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1xnk n GLY 164 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xnk s LEU 165 N 0.00 4.29 -0.11 0.99 0.20 -0.65 -4.98 118.68 118.42 1xnk s LEU 165 Ca 0.00 1.94 0.02 0.00 0.69 0.00 0.00 54.13 56.78 1xnk s LEU 165 Cb 0.00 -3.56 -0.01 0.00 -0.43 0.00 0.00 46.19 42.20 1xnk s LEU 165 CO 0.00 -0.65 -0.19 -1.10 -0.29 0.00 0.00 176.35 174.12 1xnk s GLN 166 N 2.36 3.18 -0.30 1.98 -0.21 -1.26 -4.25 119.66 121.15 1xnk s GLN 166 Ca 0.59 -0.80 -0.09 0.00 0.02 0.00 0.00 55.36 55.09 1xnk s GLN 166 Cb -0.27 -2.44 -0.00 0.00 1.00 0.00 0.00 33.01 31.30 1xnk s GLN 166 CO 0.24 0.20 0.13 -1.17 -2.12 0.00 0.00 175.29 172.56 1xnk s LEU 167 N 0.33 4.00 -0.09 2.90 2.96 -1.26 -4.16 118.68 123.35 1xnk s LEU 167 Ca -0.15 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.16 1xnk s LEU 167 Cb -0.17 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 1xnk s LEU 167 CO 0.07 -0.19 -0.08 1.23 -1.32 0.00 0.00 176.35 176.07 1xnk h GLY 168 N 8.31 0.00 -4.30 7.98 0.00 -1.18 -3.48 103.07 110.40 1xnk h GLY 168 Ca -0.32 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1xnk h GLY 168 CO 0.61 0.00 -0.10 -1.35 0.00 0.00 0.00 176.54 175.70 1xnk s SER 169 N -4.95 -0.37 0.25 0.19 1.04 -0.51 -4.96 113.70 104.39 1xnk s SER 169 Ca -0.07 0.31 -0.20 0.00 0.48 0.00 0.00 55.95 56.48 1xnk s SER 169 Cb 0.01 0.40 -0.09 0.00 0.10 0.00 0.00 66.02 66.44 1xnk s SER 169 CO 0.10 -0.51 0.75 -1.00 0.98 0.00 0.00 173.24 173.56 1xnk s HIS 170 N -1.32 3.61 0.00 5.02 3.76 -1.26 0.79 115.29 125.89 1xnk s HIS 170 Ca -0.12 1.40 0.00 0.00 -0.15 0.00 0.00 55.06 56.19 1xnk s HIS 170 Cb -0.03 -2.64 0.00 0.00 1.11 0.00 0.00 32.58 31.02 1xnk s HIS 170 CO 0.06 0.28 0.00 -3.47 -0.85 0.00 0.00 174.74 170.76 1xnk n ASP 171 N 0.53 0.00 -4.79 1.40 2.03 0.33 -4.59 116.55 111.46 1xnk n ASP 171 Ca -0.01 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 1xnk n ASP 171 Cb 0.51 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 41.00 1xnk n ASP 171 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1xnk s TYR 172 N 4.27 2.77 -0.24 -0.67 -0.85 -1.26 -0.76 117.35 120.61 1xnk s TYR 172 Ca 0.00 1.36 -0.02 0.00 -0.52 0.00 0.00 57.07 57.89 1xnk s TYR 172 Cb 0.00 -3.03 0.13 0.00 0.38 0.00 0.00 41.96 39.44 1xnk s TYR 172 CO 0.00 -1.70 0.33 -1.14 -1.52 0.00 0.00 175.55 171.52 1xnk s GLN 173 N -5.02 0.31 0.19 -3.49 0.74 0.53 -1.71 119.66 111.22 1xnk s GLN 173 Ca 0.60 0.33 0.03 0.00 0.05 0.00 0.00 55.36 56.37 1xnk s GLN 173 Cb -0.16 -0.67 -0.05 0.00 1.10 0.00 0.00 33.01 33.24 1xnk s GLN 173 CO 0.55 -0.73 -0.01 0.96 -0.55 0.00 0.00 175.29 175.52 1xnk s ILE 174 N 2.47 0.83 -0.50 -2.34 -4.36 0.60 -0.28 121.20 117.62 1xnk s ILE 174 Ca 0.11 -2.01 -0.16 0.00 -0.26 0.00 0.00 60.65 58.33 1xnk s ILE 174 Cb -0.15 -2.19 0.09 0.00 1.25 0.00 0.00 42.46 41.46 1xnk s ILE 174 CO -0.18 -0.43 0.48 -0.69 0.24 0.00 0.00 174.94 174.36 1xnk s VAL 175 N -3.55 5.14 0.22 8.37 1.01 -0.21 0.22 120.40 131.59 1xnk s VAL 175 Ca 0.25 -1.06 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1xnk s VAL 175 Cb 0.06 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1xnk s VAL 175 CO 0.06 -0.73 0.10 0.00 0.00 0.00 0.00 175.10 174.53 1xnk s ALA 176 N 1.88 3.40 0.01 5.51 0.00 0.11 -3.35 121.76 129.33 1xnk s ALA 176 Ca 0.06 -1.41 0.06 0.00 0.00 0.00 0.00 51.96 50.68 1xnk s ALA 176 Cb -0.25 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1xnk s ALA 176 CO 0.07 0.36 -0.19 0.99 0.00 0.00 0.00 175.76 177.00 1xnk s THR 177 N -1.99 2.73 0.03 0.00 2.01 -0.29 -0.90 115.64 117.23 1xnk s THR 177 Ca 0.31 -1.08 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1xnk s THR 177 Cb -0.08 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 1xnk s THR 177 CO 0.22 0.42 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.83 1xnk s GLU 178 N -1.17 0.41 -0.03 4.92 2.12 -0.07 -1.52 118.70 123.35 1xnk s GLU 178 Ca 0.13 -0.75 -0.11 0.00 0.36 0.00 0.00 54.97 54.60 1xnk s GLU 178 Cb -0.10 0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.34 1xnk s GLU 178 CO 0.03 -0.04 0.25 0.20 -0.54 0.00 0.00 175.26 175.16 1xnk s GLY 179 N -1.74 -0.11 -0.18 -1.50 0.00 -0.39 -1.91 107.32 101.48 1xnk s GLY 179 Ca -0.11 0.32 -0.05 0.00 0.00 0.00 0.00 44.72 44.89 1xnk s GLY 179 CO -0.02 0.16 0.10 -0.47 0.00 0.00 0.00 173.10 172.87 1xnk s TYR 180 N -0.92 0.18 -1.49 1.90 5.04 -0.31 -1.67 117.35 120.08 1xnk s TYR 180 Ca -0.10 -0.35 -0.06 0.00 -2.44 0.00 0.00 57.07 54.13 1xnk s TYR 180 Cb -0.05 -0.70 0.05 0.00 0.35 0.00 0.00 41.96 41.61 1xnk s TYR 180 CO 0.02 -0.55 0.54 0.66 -1.34 0.00 0.00 175.55 174.89 1xnk n TYR 181 N 5.28 -1.71 -4.26 4.97 4.02 0.60 -4.26 117.16 121.79 1xnk n TYR 181 Ca -0.07 0.77 -0.13 0.00 -0.01 0.00 0.00 57.90 58.47 1xnk n TYR 181 Cb 0.48 -3.55 -0.03 0.00 -0.02 0.00 0.00 39.34 36.22 1xnk n TYR 181 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1xnk n SER 182 N -2.89 1.48 -3.99 7.72 3.41 -1.24 -4.65 113.62 113.45 1xnk n SER 182 Ca -0.19 -2.01 -0.09 0.00 -0.26 0.00 0.00 58.87 56.32 1xnk n SER 182 Cb 0.63 0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 64.91 1xnk n SER 182 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1xnk s SER 183 N -2.19 -0.05 0.00 4.04 1.04 -0.73 -3.67 113.70 112.13 1xnk s SER 183 Ca 0.07 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1xnk s SER 183 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1xnk s SER 183 CO 0.05 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1xnk n GLY 184 N -0.33 0.88 3.18 7.32 0.00 -0.26 -0.53 105.19 115.46 1xnk n GLY 184 Ca -0.03 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 1xnk n GLY 184 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xnk s SER 185 N -4.00 0.15 -0.26 1.61 1.04 -0.87 -1.25 113.70 110.12 1xnk s SER 185 Ca 0.00 -0.64 -0.25 0.00 0.48 0.00 0.00 55.95 55.54 1xnk s SER 185 Cb 0.00 0.31 0.08 0.00 0.10 0.00 0.00 66.02 66.50 1xnk s SER 185 CO 0.00 -0.67 0.75 0.00 0.98 0.00 0.00 173.24 174.29 1xnk s ALA 186 N -3.58 -1.80 -0.16 5.32 0.00 -0.03 -1.07 121.76 120.44 1xnk s ALA 186 Ca 0.03 1.97 -0.00 0.00 0.00 0.00 0.00 51.96 53.96 1xnk s ALA 186 Cb 0.04 -1.13 0.04 0.00 0.00 0.00 0.00 23.12 22.06 1xnk s ALA 186 CO -0.09 -0.33 -0.07 0.99 0.00 0.00 0.00 175.76 176.25 1xnk s THR 187 N 0.27 1.20 -0.06 0.00 2.01 -0.67 -0.57 115.64 117.82 1xnk s THR 187 Ca -0.00 -0.60 0.06 0.00 0.31 0.00 0.00 61.69 61.45 1xnk s THR 187 Cb -0.05 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 1xnk s THR 187 CO 0.01 0.22 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.23 1xnk s VAL 188 N 1.61 1.97 -0.18 3.82 1.01 -0.25 -0.69 120.40 127.70 1xnk s VAL 188 Ca 0.02 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1xnk s VAL 188 Cb -0.15 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.59 1xnk s VAL 188 CO -0.08 0.55 -0.16 0.21 0.00 0.00 0.00 175.10 175.62 1xnk s ASN 189 N -0.12 3.09 -0.24 3.32 2.47 -0.28 -1.29 114.94 121.89 1xnk s ASN 189 Ca -0.04 -0.67 -0.13 0.00 0.42 0.00 0.00 52.86 52.44 1xnk s ASN 189 Cb -0.14 -1.35 -0.05 0.00 -1.45 0.00 0.00 41.25 38.27 1xnk s ASN 189 CO 0.04 -0.05 0.25 -0.69 -3.72 0.00 0.00 177.10 172.93 1xnk s VAL 190 N 1.36 5.29 0.00 -5.21 1.01 0.50 -1.54 120.40 121.82 1xnk s VAL 190 Ca 0.03 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1xnk s VAL 190 Cb -0.14 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1xnk s VAL 190 CO -0.11 0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.89