#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 4.01 0.00 -4.42 1.43 -0.36 -4.97 118.68 114.37 1xnk s LEU 3 Ca 0.00 1.76 0.03 0.00 -1.03 0.00 0.00 54.13 54.89 1xnk s LEU 3 Cb 0.00 -4.43 0.02 0.00 0.03 0.00 0.00 46.19 41.81 1xnk s LEU 3 CO 0.00 -0.37 0.59 0.35 0.23 0.00 0.00 176.35 177.15 1xnk n THR 4 N -0.44 0.00 -3.87 5.49 -2.24 -1.26 -4.53 114.28 107.43 1xnk n THR 4 Ca 0.06 -0.50 -0.02 0.00 -2.27 0.00 0.00 64.05 61.33 1xnk n THR 4 Cb 0.53 1.06 0.01 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.27 -0.02 0.39 3.42 0.15 -1.26 -5.13 113.70 110.98 1xnk s SER 5 Ca 0.03 -0.53 -0.26 0.00 0.70 0.00 0.00 55.95 55.89 1xnk s SER 5 Cb 0.03 0.42 -0.11 0.00 -1.71 0.00 0.00 66.02 64.64 1xnk s SER 5 CO 0.04 -0.82 1.13 -1.20 1.20 0.00 0.00 173.24 173.59 1xnk n SER 6 N -1.07 1.89 -3.48 5.45 7.64 -1.26 -4.95 113.62 117.84 1xnk n SER 6 Ca -0.03 1.10 -0.12 0.00 1.01 0.00 0.00 58.87 60.84 1xnk n SER 6 Cb 0.60 -1.41 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 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 -1.20 -1.72 0.14 -0.43 0.00 -0.04 -5.00 121.76 113.51 1xnk s ALA 7 Ca 0.61 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 53.41 1xnk s ALA 7 Cb -0.56 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1xnk s ALA 7 CO 0.58 -0.64 0.14 0.95 0.00 0.00 0.00 175.76 176.80 1xnk s THR 8 N -2.90 0.09 -5.00 0.00 -4.23 -1.26 -0.60 115.64 101.74 1xnk s THR 8 Ca -0.00 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1xnk s THR 8 Cb -0.01 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.87 1xnk s THR 8 CO -0.07 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 1xnk n GLY 9 N -0.14 -0.26 3.17 3.99 0.00 -0.92 -4.98 105.19 106.06 1xnk n GLY 9 Ca -0.06 -1.33 -0.23 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.95 1.32 -0.04 2.61 -1.32 -1.26 -0.33 115.64 113.67 1xnk s THR 10 Ca 0.00 -0.90 -0.02 0.00 -1.21 0.00 0.00 61.69 59.56 1xnk s THR 10 Cb 0.00 -1.14 0.03 0.00 -1.51 0.00 0.00 72.50 69.88 1xnk s THR 10 CO 0.00 0.22 0.04 -2.28 -2.21 0.00 0.00 174.62 170.39 1xnk s HIS 11 N -0.62 0.19 -1.48 9.09 5.04 0.17 -4.84 115.29 122.86 1xnk s HIS 11 Ca 0.05 0.15 -0.11 0.00 -1.54 0.00 0.00 55.06 53.61 1xnk s HIS 11 Cb -0.07 -0.52 0.07 0.00 0.04 0.00 0.00 32.58 32.10 1xnk s HIS 11 CO 0.01 -0.20 0.82 0.09 -2.34 0.00 0.00 174.74 173.11 1xnk n ASN 12 N 5.10 -4.80 0.00 9.88 3.02 -1.26 -1.19 115.26 126.01 1xnk n ASN 12 Ca -0.07 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 1xnk n ASN 12 Cb 0.50 -3.86 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 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 -1.55 1.30 3.43 7.41 0.00 -1.26 -4.71 105.19 109.82 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 -2.82 2.84 0.50 1.61 1.51 -0.33 -5.01 117.35 115.65 1xnk s TYR 14 Ca 0.00 -0.43 -0.21 0.00 -1.01 0.00 0.00 57.07 55.41 1xnk s TYR 14 Cb 0.00 -1.81 -0.06 0.00 -0.11 0.00 0.00 41.96 39.97 1xnk s TYR 14 CO 0.00 -0.06 1.18 -0.47 -1.11 0.00 0.00 175.55 175.09 1xnk s TYR 15 N 0.05 2.71 0.01 2.71 5.04 -0.31 0.45 117.35 128.00 1xnk s TYR 15 Ca -0.04 1.52 0.02 0.00 -2.44 0.00 0.00 57.07 56.13 1xnk s TYR 15 Cb -0.14 -3.41 -0.01 0.00 0.35 0.00 0.00 41.96 38.74 1xnk s TYR 15 CO 0.04 -1.75 -0.06 1.52 -1.34 0.00 0.00 175.55 173.95 1xnk s TYR 16 N -1.58 0.54 -0.02 4.97 -0.85 0.55 0.07 117.35 121.03 1xnk s TYR 16 Ca 0.68 -0.23 0.01 0.00 -0.52 0.00 0.00 57.07 57.01 1xnk s TYR 16 Cb -0.29 -0.34 0.02 0.00 0.38 0.00 0.00 41.96 41.73 1xnk s TYR 16 CO 0.34 -0.03 -0.01 0.45 -1.52 0.00 0.00 175.55 174.78 1xnk s SER 17 N -0.62 0.42 -0.05 -0.18 0.15 -0.86 -2.16 113.70 110.41 1xnk s SER 17 Ca -0.02 -0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.58 1xnk s SER 17 Cb -0.05 -0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.11 1xnk s SER 17 CO 0.00 -0.06 0.01 0.12 1.20 0.00 0.00 173.24 174.52 1xnk s PHE 18 N 0.69 0.43 -0.06 3.44 5.36 0.23 -1.16 117.98 126.92 1xnk s PHE 18 Ca -0.07 -0.02 0.04 0.00 -0.96 0.00 0.00 56.93 55.92 1xnk s PHE 18 Cb -0.10 -0.62 -0.00 0.00 -0.34 0.00 0.00 43.02 41.96 1xnk s PHE 18 CO -0.01 -0.24 -0.18 -0.46 -1.46 0.00 0.00 175.22 172.87 1xnk s TRP 19 N 1.72 1.91 -0.01 10.12 -0.00 -0.07 -0.86 118.94 131.74 1xnk s TRP 19 Ca 0.00 -0.63 -0.05 0.00 -0.00 0.00 0.00 56.10 55.42 1xnk s TRP 19 Cb -0.13 -1.29 0.00 0.00 -0.00 0.00 0.00 33.47 32.05 1xnk s TRP 19 CO -0.03 -0.24 0.11 -0.08 -0.00 0.00 0.00 176.95 176.71 1xnk s THR 20 N 0.18 0.06 -1.45 5.86 -1.32 -1.26 -1.26 115.64 116.45 1xnk s THR 20 Ca -0.08 -0.51 0.08 0.00 -1.21 0.00 0.00 61.69 59.97 1xnk s THR 20 Cb -0.14 -0.34 0.32 0.00 -1.51 0.00 0.00 72.50 70.84 1xnk s THR 20 CO 0.04 -0.28 1.16 -0.90 -2.21 0.00 0.00 174.62 172.43 1xnk n ASP 21 N 1.95 2.30 0.00 8.08 5.75 -0.40 -4.75 116.55 129.48 1xnk n ASP 21 Ca -0.20 -2.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 1xnk n ASP 21 Cb 0.57 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1xnk n ASP 21 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xnk n GLY 22 N 0.71 0.52 3.95 6.12 0.00 -1.26 -4.96 105.19 110.27 1xnk n GLY 22 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.51 3.35 1.86 1.61 -1.52 -1.26 -4.97 119.66 118.22 1xnk s GLN 23 Ca 0.00 -0.45 0.00 0.00 -1.95 0.00 0.00 55.36 52.96 1xnk s GLN 23 Cb 0.00 -2.66 0.00 0.00 -0.22 0.00 0.00 33.01 30.13 1xnk s GLN 23 CO 0.00 0.05 0.00 0.41 -0.25 0.00 0.00 175.29 175.50 1xnk n GLY 24 N -1.83 -1.07 3.54 3.09 0.00 -1.26 -3.68 105.19 103.98 1xnk n GLY 24 Ca -0.03 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 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 -4.00 4.81 -0.26 1.61 0.01 0.50 -4.89 114.94 112.71 1xnk s ASN 25 Ca 0.00 -0.07 -0.25 0.00 -0.71 0.00 0.00 52.86 51.83 1xnk s ASN 25 Cb 0.00 -1.59 0.08 0.00 0.41 0.00 0.00 41.25 40.14 1xnk s ASN 25 CO 0.00 0.24 0.75 -0.51 -1.51 0.00 0.00 177.10 176.08 1xnk s ILE 26 N -0.09 0.00 -0.23 0.60 2.07 -1.26 -1.16 121.20 121.13 1xnk s ILE 26 Ca 0.02 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.23 1xnk s ILE 26 Cb -0.13 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.53 1xnk s ILE 26 CO 0.03 0.00 0.06 -0.13 -1.91 0.00 0.00 174.94 172.98 1xnk s ARG 27 N 0.31 0.60 -0.31 3.50 0.52 -0.56 -5.01 118.95 118.00 1xnk s ARG 27 Ca 0.00 -0.55 -0.10 0.00 -0.52 0.00 0.00 55.73 54.56 1xnk s ARG 27 Cb -0.05 -1.98 -0.02 0.00 0.52 0.00 0.00 34.95 33.42 1xnk s ARG 27 CO 0.01 -0.75 0.17 0.12 0.02 0.00 0.00 175.30 174.87 1xnk s PHE 28 N 1.85 3.19 -0.16 -0.53 2.19 -1.26 -2.03 117.98 121.23 1xnk s PHE 28 Ca 0.02 -0.32 -0.01 0.00 0.33 0.00 0.00 56.93 56.95 1xnk s PHE 28 Cb -0.17 -2.38 -0.01 0.00 -1.31 0.00 0.00 43.02 39.15 1xnk s PHE 28 CO -0.14 -0.36 -0.11 -0.80 1.83 0.00 0.00 175.22 175.64 1xnk s ASN 29 N 1.67 4.06 0.04 6.13 0.01 0.96 -1.22 114.94 126.59 1xnk s ASN 29 Ca 0.06 -0.35 -0.27 0.00 -0.71 0.00 0.00 52.86 51.59 1xnk s ASN 29 Cb -0.17 -1.64 -0.05 0.00 0.41 0.00 0.00 41.25 39.80 1xnk s ASN 29 CO 0.08 0.11 0.84 -0.76 -1.51 0.00 0.00 177.10 175.86 1xnk s LEU 30 N 0.68 4.43 0.00 0.60 1.43 -1.26 -1.11 118.68 123.45 1xnk s LEU 30 Ca -0.06 1.53 0.01 0.00 -1.03 0.00 0.00 54.13 54.58 1xnk s LEU 30 Cb -0.15 -3.35 -0.00 0.00 0.03 0.00 0.00 46.19 42.71 1xnk s LEU 30 CO 0.02 -0.06 0.04 -0.62 0.23 0.00 0.00 176.35 175.96 1xnk n GLU 31 N 3.10 1.01 -1.64 1.70 1.02 -0.41 -4.83 120.64 120.59 1xnk n GLU 31 Ca 0.00 -1.24 -0.41 0.00 -0.02 0.00 0.00 57.16 55.49 1xnk n GLU 31 Cb 0.50 0.58 0.01 0.00 -0.02 0.00 0.00 31.44 32.52 1xnk n GLU 31 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xnk n SER 32 N -1.67 1.68 0.00 1.62 2.88 -1.26 -4.28 113.62 112.59 1xnk n SER 32 Ca -0.03 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1xnk n SER 32 Cb 0.22 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.27 1xnk n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xnk n GLY 33 N 1.06 3.27 1.79 0.46 0.00 -1.26 -1.57 105.19 108.94 1xnk n GLY 33 Ca 0.09 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 3.44 3.90 -0.02 0.00 -1.25 -4.62 105.19 106.63 1xnk n GLY 34 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.39 3.34 0.02 1.61 0.74 -0.61 -0.50 119.66 121.87 1xnk s GLN 35 Ca 0.42 -0.55 -0.18 0.00 0.05 0.00 0.00 55.36 55.10 1xnk s GLN 35 Cb 0.34 -2.95 0.03 0.00 1.10 0.00 0.00 33.01 31.53 1xnk s GLN 35 CO 0.09 0.57 0.39 1.52 -0.55 0.00 0.00 175.29 177.31 1xnk s TYR 36 N -1.59 -0.25 0.04 1.67 -0.85 -0.26 -1.28 117.35 114.83 1xnk s TYR 36 Ca 0.34 0.25 0.04 0.00 -0.52 0.00 0.00 57.07 57.19 1xnk s TYR 36 Cb -0.12 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.38 1xnk s TYR 36 CO 0.27 -0.52 -0.13 -1.12 -1.52 0.00 0.00 175.55 172.53 1xnk s SER 37 N -1.81 1.47 -0.06 -0.18 0.01 -0.27 -1.05 113.70 111.81 1xnk s SER 37 Ca -0.07 -0.44 -0.05 0.00 1.31 0.00 0.00 55.95 56.70 1xnk s SER 37 Cb -0.02 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.15 1xnk s SER 37 CO -0.00 0.01 0.16 0.54 0.41 0.00 0.00 173.24 174.35 1xnk s VAL 38 N -0.86 -0.01 -0.07 3.43 0.11 0.37 -0.03 120.40 123.34 1xnk s VAL 38 Ca 0.00 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.13 1xnk s VAL 38 Cb -0.08 -0.24 0.01 0.00 -1.53 0.00 0.00 36.38 34.55 1xnk s VAL 38 CO 0.01 0.02 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.78 1xnk s THR 39 N 0.41 1.25 0.16 5.04 2.01 -0.86 -1.00 115.64 122.64 1xnk s THR 39 Ca -0.03 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 1xnk s THR 39 Cb -0.04 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 1xnk s THR 39 CO -0.02 0.38 0.24 -1.66 -0.69 0.00 0.00 174.62 172.87 1xnk s TRP 40 N 0.69 0.47 0.13 4.92 -2.14 -0.11 -1.50 118.94 121.40 1xnk s TRP 40 Ca -0.14 -0.84 -0.25 0.00 2.66 0.00 0.00 56.10 57.53 1xnk s TRP 40 Cb -0.16 -0.13 0.08 0.00 -3.10 0.00 0.00 33.47 30.16 1xnk s TRP 40 CO 0.04 -0.68 1.07 -1.54 -2.66 0.00 0.00 176.95 173.18 1xnk s SER 41 N -2.98 -0.06 0.00 -2.66 1.04 -0.31 -0.69 113.70 108.04 1xnk s SER 41 Ca 0.18 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1xnk s SER 41 Cb 0.04 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1xnk s SER 41 CO -0.00 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1xnk n GLY 42 N -0.62 -1.65 2.86 7.32 0.00 -1.24 -0.37 105.19 111.49 1xnk n GLY 42 Ca -0.04 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.08 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 0.08 7.42 -4.96 1.61 3.02 -1.26 -3.67 115.26 117.49 1xnk n ASN 43 Ca 0.00 -3.81 -0.22 0.00 -0.03 0.00 0.00 54.58 50.52 1xnk n ASN 43 Cb 0.00 -1.07 0.01 0.00 -0.61 0.00 0.00 39.78 38.11 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 -1.21 1.59 -0.18 7.41 0.00 -1.24 -4.10 107.32 109.59 1xnk s GLY 44 Ca 0.50 -1.13 -0.02 0.00 0.00 0.00 0.00 44.72 44.06 1xnk s GLY 44 CO -0.36 -0.97 0.02 0.21 0.00 0.00 0.00 173.10 172.00 1xnk s ASN 45 N -4.23 2.81 0.17 1.64 3.04 -1.26 -0.06 114.94 117.05 1xnk s ASN 45 Ca 0.49 -0.75 -0.19 0.00 0.04 0.00 0.00 52.86 52.45 1xnk s ASN 45 Cb -0.10 -0.63 0.04 0.00 -1.54 0.00 0.00 41.25 39.02 1xnk s ASN 45 CO 0.37 -0.28 0.52 -1.66 -3.04 0.00 0.00 177.10 173.01 1xnk s TRP 46 N 1.83 -0.25 -0.22 0.43 1.48 -0.59 -1.28 118.94 120.34 1xnk s TRP 46 Ca -0.00 -0.06 -0.15 0.00 -1.06 0.00 0.00 56.10 54.83 1xnk s TRP 46 Cb -0.17 0.41 0.07 0.00 -1.16 0.00 0.00 33.47 32.62 1xnk s TRP 46 CO -0.08 -0.86 0.56 0.54 -4.06 0.00 0.00 176.95 173.06 1xnk s VAL 47 N -3.83 -0.01 0.11 -0.66 0.11 -0.39 -1.08 120.40 114.65 1xnk s VAL 47 Ca 0.06 0.03 -0.25 0.00 -2.93 0.00 0.00 61.98 58.89 1xnk s VAL 47 Cb -0.00 -0.81 0.08 0.00 -1.53 0.00 0.00 36.38 34.11 1xnk s VAL 47 CO -0.07 0.01 0.70 -0.83 -3.33 0.00 0.00 175.10 171.58 1xnk s GLY 48 N 1.17 -0.55 0.00 6.54 0.00 -0.54 -0.90 107.32 113.04 1xnk s GLY 48 Ca -0.07 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.30 1xnk s GLY 48 CO -0.12 0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.81 1xnk n GLY 49 N -0.34 -1.35 3.41 0.20 0.00 -0.31 -1.17 105.19 105.64 1xnk n GLY 49 Ca -0.14 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.00 1.52 0.00 1.61 1.02 -1.20 -2.02 119.74 119.67 1xnk s LYS 50 Ca 0.00 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.70 1xnk s LYS 50 Cb 0.00 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 1xnk s LYS 50 CO 0.00 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 1xnk n GLY 51 N 0.93 -0.19 3.09 -3.33 0.00 0.11 -1.04 105.19 104.76 1xnk n GLY 51 Ca -0.17 0.51 -0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 0.55 -0.26 1.61 0.51 0.71 -1.16 118.94 120.89 1xnk s TRP 52 Ca 0.00 -1.05 -0.04 0.00 -2.12 0.00 0.00 56.10 52.89 1xnk s TRP 52 Cb 0.00 -0.40 0.14 0.00 -0.81 0.00 0.00 33.47 32.40 1xnk s TRP 52 CO 0.00 -0.36 0.49 1.21 -0.51 0.00 0.00 176.95 177.79 1xnk s ASN 53 N -2.90 -0.56 0.62 2.95 2.47 -1.26 -0.46 114.94 115.79 1xnk s ASN 53 Ca 0.07 0.77 -0.12 0.00 0.42 0.00 0.00 52.86 54.00 1xnk s ASN 53 Cb 0.07 1.66 -0.04 0.00 -1.45 0.00 0.00 41.25 41.49 1xnk s ASN 53 CO -0.09 -0.26 1.03 -2.16 -3.72 0.00 0.00 177.10 171.89 1xnk s PRO 54 N 2.71 3.55 0.89 0.43 0.04 -1.26 -5.02 135.00 136.33 1xnk s PRO 54 Ca 0.10 0.81 -0.13 0.00 0.04 0.00 0.00 61.00 61.82 1xnk s PRO 54 Cb -0.14 -2.07 0.13 0.00 0.04 0.00 0.00 34.50 32.45 1xnk s PRO 54 CO -0.17 -0.61 1.17 0.20 0.04 0.00 0.00 177.00 177.63 1xnk s GLY 55 N -3.96 1.60 0.15 0.56 0.00 0.46 -4.86 107.32 101.28 1xnk s GLY 55 Ca 0.56 -0.65 0.03 0.00 0.00 0.00 0.00 44.72 44.66 1xnk s GLY 55 CO 0.51 -0.09 -0.06 -0.51 0.00 0.00 0.00 173.10 172.95 1xnk s THR 56 N -3.44 0.94 0.27 0.90 -4.23 -1.26 -4.75 115.64 104.07 1xnk s THR 56 Ca 0.64 -2.01 0.20 0.00 -1.18 0.00 0.00 61.69 59.34 1xnk s THR 56 Cb -0.12 -1.90 0.17 0.00 1.34 0.00 0.00 72.50 71.99 1xnk s THR 56 CO 0.52 -0.70 1.84 0.44 -0.54 0.00 0.00 174.62 176.18 1xnk h ASP 57 N 2.79 0.00 -0.05 3.99 3.32 -1.98 -3.29 116.42 121.20 1xnk h ASP 57 Ca -0.36 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 1xnk h ASP 57 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1xnk h ASP 57 CO 0.64 0.31 -0.14 0.59 -1.72 0.00 0.00 179.24 178.92 1xnk n ASN 58 N -3.67 2.35 -4.77 6.45 3.02 -1.26 -3.05 115.26 114.33 1xnk n ASN 58 Ca -0.01 -3.34 -0.40 0.00 -0.03 0.00 0.00 54.58 50.80 1xnk n ASN 58 Cb 0.42 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 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 -2.99 4.43 -0.31 3.52 3.52 -1.24 -4.81 118.95 121.06 1xnk s ARG 59 Ca 0.35 2.05 -0.01 0.00 -0.13 0.00 0.00 55.73 58.00 1xnk s ARG 59 Cb 0.32 -3.08 0.06 0.00 -1.56 0.00 0.00 34.95 30.69 1xnk s ARG 59 CO 0.01 -0.06 0.02 0.08 -0.81 0.00 0.00 175.30 174.54 1xnk s VAL 60 N -1.17 2.92 -0.04 7.11 1.01 -1.26 -2.33 120.40 126.65 1xnk s VAL 60 Ca 0.48 -1.55 -0.18 0.00 0.00 0.00 0.00 61.98 60.73 1xnk s VAL 60 Cb -0.37 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1xnk s VAL 60 CO 0.48 -0.21 0.49 -0.63 0.00 0.00 0.00 175.10 175.23 1xnk s ILE 61 N 1.20 5.03 -0.14 2.22 1.01 -0.31 -4.92 121.20 125.30 1xnk s ILE 61 Ca -0.03 1.00 0.02 0.00 0.00 0.00 0.00 60.65 61.65 1xnk s ILE 61 Cb -0.20 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.47 1xnk s ILE 61 CO -0.02 0.45 -0.20 0.20 0.00 0.00 0.00 174.94 175.37 1xnk s ASN 62 N -0.28 2.91 0.13 3.58 0.01 -1.26 -0.05 114.94 119.97 1xnk s ASN 62 Ca 0.26 -0.56 -0.05 0.00 -0.71 0.00 0.00 52.86 51.81 1xnk s ASN 62 Cb -0.17 -1.34 -0.02 0.00 0.41 0.00 0.00 41.25 40.13 1xnk s ASN 62 CO 0.14 0.05 0.14 -0.72 -1.51 0.00 0.00 177.10 175.19 1xnk s TYR 63 N 0.94 0.57 0.05 2.20 1.13 -0.52 0.40 117.35 122.12 1xnk s TYR 63 Ca -0.05 -0.97 0.01 0.00 -1.41 0.00 0.00 57.07 54.65 1xnk s TYR 63 Cb -0.15 -0.27 -0.03 0.00 -1.10 0.00 0.00 41.96 40.41 1xnk s TYR 63 CO -0.03 -0.57 -0.06 0.95 -2.51 0.00 0.00 175.55 173.33 1xnk s THR 64 N -3.98 0.45 -0.19 -3.49 -4.23 -0.63 -1.16 115.64 102.42 1xnk s THR 64 Ca 0.17 -1.29 -0.26 0.00 -1.18 0.00 0.00 61.69 59.12 1xnk s THR 64 Cb 0.06 -0.85 0.07 0.00 1.34 0.00 0.00 72.50 73.12 1xnk s THR 64 CO -0.02 -0.57 0.69 0.00 -0.54 0.00 0.00 174.62 174.18 1xnk s ALA 65 N -2.11 -1.72 -0.52 3.99 0.00 -0.83 -1.27 121.76 119.30 1xnk s ALA 65 Ca -0.05 1.73 -0.06 0.00 0.00 0.00 0.00 51.96 53.58 1xnk s ALA 65 Cb -0.05 -0.76 0.13 0.00 0.00 0.00 0.00 23.12 22.44 1xnk s ALA 65 CO -0.02 -0.34 0.35 0.34 0.00 0.00 0.00 175.76 176.09 1xnk s ASP 66 N -0.16 5.51 -0.23 0.00 -1.08 -0.08 -4.77 116.67 115.86 1xnk s ASP 66 Ca -0.04 -2.25 -0.05 0.00 -0.52 0.00 0.00 52.55 49.69 1xnk s ASP 66 Cb -0.03 -1.92 -0.01 0.00 -1.46 0.00 0.00 42.92 39.49 1xnk s ASP 66 CO 0.04 -0.55 -0.01 -0.47 0.52 0.00 0.00 175.17 174.70 1xnk s TYR 67 N 0.83 3.01 -0.53 -5.34 5.04 -1.26 -1.55 117.35 117.55 1xnk s TYR 67 Ca 0.10 -0.84 0.04 0.00 -2.44 0.00 0.00 57.07 53.94 1xnk s TYR 67 Cb -0.22 -2.15 0.17 0.00 0.35 0.00 0.00 41.96 40.10 1xnk s TYR 67 CO -0.03 -0.51 0.40 1.03 -1.34 0.00 0.00 175.55 175.10 1xnk s ARG 68 N 1.51 1.57 0.41 4.97 0.52 -0.29 -5.03 118.95 122.61 1xnk s ARG 68 Ca 0.05 -2.62 -0.06 0.00 -0.52 0.00 0.00 55.73 52.59 1xnk s ARG 68 Cb -0.15 -2.28 -0.05 0.00 0.52 0.00 0.00 34.95 32.99 1xnk s ARG 68 CO -0.01 -1.34 0.71 -1.25 0.02 0.00 0.00 175.30 173.44 1xnk s PRO 69 N -0.56 3.62 -0.30 3.54 0.04 -1.26 -2.12 135.00 137.97 1xnk s PRO 69 Ca 0.29 0.18 -0.03 0.00 0.04 0.00 0.00 61.00 61.48 1xnk s PRO 69 Cb -0.01 -2.46 0.10 0.00 0.04 0.00 0.00 34.50 32.17 1xnk s PRO 69 CO -0.18 -0.04 0.13 -0.80 0.04 0.00 0.00 177.00 176.15 1xnk s ASN 70 N -3.67 3.63 0.00 6.66 0.01 0.51 -4.95 114.94 117.13 1xnk s ASN 70 Ca 0.47 -1.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.22 1xnk s ASN 70 Cb -0.10 -0.46 0.00 0.00 0.41 0.00 0.00 41.25 41.09 1xnk s ASN 70 CO 0.37 -0.43 0.00 0.61 -1.51 0.00 0.00 177.10 176.15 1xnk n GLY 71 N 5.11 -0.08 3.56 0.66 0.00 -1.26 -1.64 105.19 111.55 1xnk n GLY 71 Ca -0.04 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 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 6.30 0.01 1.61 2.47 -1.26 -1.34 114.94 118.73 1xnk s ASN 72 Ca 0.00 -0.19 -0.12 0.00 0.42 0.00 0.00 52.86 52.97 1xnk s ASN 72 Cb 0.00 -2.55 0.01 0.00 -1.45 0.00 0.00 41.25 37.26 1xnk s ASN 72 CO 0.00 -1.65 0.24 -0.55 -3.72 0.00 0.00 177.10 171.42 1xnk s SER 73 N 3.34 -0.08 0.11 -4.21 0.15 -1.26 -1.45 113.70 110.30 1xnk s SER 73 Ca 0.38 -0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.97 1xnk s SER 73 Cb -0.08 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.48 1xnk s SER 73 CO 0.20 -0.47 -0.13 -0.31 1.20 0.00 0.00 173.24 173.73 1xnk s TYR 74 N -1.74 1.28 -0.18 3.44 2.02 -0.33 -0.44 117.35 121.40 1xnk s TYR 74 Ca -0.11 -0.57 0.00 0.00 -0.37 0.00 0.00 57.07 56.03 1xnk s TYR 74 Cb -0.05 -0.68 0.04 0.00 -0.40 0.00 0.00 41.96 40.87 1xnk s TYR 74 CO 0.01 0.09 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.81 1xnk s LEU 75 N -2.34 2.00 0.03 -1.29 2.96 -0.47 -0.86 118.68 118.71 1xnk s LEU 75 Ca 0.06 -0.73 -0.27 0.00 -0.22 0.00 0.00 54.13 52.97 1xnk s LEU 75 Cb -0.05 -1.17 0.09 0.00 0.50 0.00 0.00 46.19 45.56 1xnk s LEU 75 CO 0.02 -0.12 0.78 0.00 -1.32 0.00 0.00 176.35 175.71 1xnk s ALA 76 N 1.46 -1.75 0.09 5.97 0.00 -0.28 -1.15 121.76 126.09 1xnk s ALA 76 Ca 0.01 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 1xnk s ALA 76 Cb -0.15 0.44 -0.06 0.00 0.00 0.00 0.00 23.12 23.35 1xnk s ALA 76 CO -0.09 -0.65 1.08 0.08 0.00 0.00 0.00 175.76 176.18 1xnk s VAL 77 N -2.97 4.25 -0.02 0.00 1.01 -0.37 -0.25 120.40 122.06 1xnk s VAL 77 Ca 0.01 1.74 0.01 0.00 0.00 0.00 0.00 61.98 63.75 1xnk s VAL 77 Cb -0.01 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.27 1xnk s VAL 77 CO -0.08 0.20 -0.05 -0.47 0.00 0.00 0.00 175.10 174.71 1xnk s TYR 78 N 0.52 0.53 0.20 5.22 5.04 0.13 -0.77 117.35 128.23 1xnk s TYR 78 Ca 0.53 -0.11 -0.14 0.00 -2.44 0.00 0.00 57.07 54.91 1xnk s TYR 78 Cb -0.26 -0.41 0.05 0.00 0.35 0.00 0.00 41.96 41.69 1xnk s TYR 78 CO 0.31 -0.06 0.70 0.41 -1.34 0.00 0.00 175.55 175.57 1xnk n GLY 79 N 3.33 0.96 3.09 8.97 0.00 -0.81 -0.44 105.19 120.28 1xnk n GLY 79 Ca -0.17 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.40 0.53 0.21 1.61 0.52 -0.82 -0.73 118.94 116.87 1xnk s TRP 80 Ca 0.15 -0.99 0.03 0.00 0.02 0.00 0.00 56.10 55.30 1xnk s TRP 80 Cb -0.03 -0.38 -0.05 0.00 -1.15 0.00 0.00 33.47 31.86 1xnk s TRP 80 CO 0.06 -0.33 0.00 0.95 0.02 0.00 0.00 176.95 177.65 1xnk s THR 81 N -3.61 0.86 0.06 2.01 -4.23 -0.43 -0.39 115.64 109.91 1xnk s THR 81 Ca 0.05 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.60 1xnk s THR 81 Cb 0.06 -2.26 -0.03 0.00 1.34 0.00 0.00 72.50 71.61 1xnk s THR 81 CO -0.08 -0.37 -0.15 -0.13 -0.54 0.00 0.00 174.62 173.34 1xnk s ARG 82 N -3.89 0.91 -0.87 3.99 0.52 0.64 -1.64 118.95 118.61 1xnk s ARG 82 Ca 0.27 -0.91 -0.05 0.00 -0.52 0.00 0.00 55.73 54.52 1xnk s ARG 82 Cb 0.06 -0.95 -0.01 0.00 0.52 0.00 0.00 34.95 34.58 1xnk s ARG 82 CO 0.07 0.22 0.70 -1.71 0.02 0.00 0.00 175.30 174.60 1xnk n ASN 83 N 1.49 -6.30 -4.84 0.23 5.15 -1.26 0.26 115.26 109.99 1xnk n ASN 83 Ca -0.20 -0.59 -0.32 0.00 -0.60 0.00 0.00 54.58 52.87 1xnk n ASN 83 Cb 0.54 -3.75 -0.04 0.00 -0.53 0.00 0.00 39.78 36.00 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 -4.32 3.98 -0.27 1.20 0.04 -1.26 -4.21 135.00 130.16 1xnk s PRO 84 Ca 0.12 0.96 -0.29 0.00 0.04 0.00 0.00 61.00 61.83 1xnk s PRO 84 Cb -0.04 -2.15 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 1xnk s PRO 84 CO 0.82 -0.23 1.26 -1.17 0.04 0.00 0.00 177.00 177.72 1xnk s LEU 85 N -3.94 3.96 0.00 -3.56 2.96 -1.26 -3.88 118.68 112.97 1xnk s LEU 85 Ca 0.59 1.31 0.01 0.00 -0.22 0.00 0.00 54.13 55.82 1xnk s LEU 85 Cb -0.10 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 1xnk s LEU 85 CO 0.29 -0.97 -0.04 -0.63 -1.32 0.00 0.00 176.35 173.67 1xnk s ILE 86 N 4.07 0.32 -0.17 6.68 -1.09 -0.65 -4.07 121.20 126.29 1xnk s ILE 86 Ca 0.54 -0.33 -0.02 0.00 -2.23 0.00 0.00 60.65 58.62 1xnk s ILE 86 Cb -0.17 -0.31 -0.01 0.00 -1.58 0.00 0.00 42.46 40.39 1xnk s ILE 86 CO 0.20 -0.01 -0.10 -0.70 -1.23 0.00 0.00 174.94 173.10 1xnk s GLU 87 N -0.37 3.37 0.16 2.79 2.12 -0.99 -1.31 118.70 124.47 1xnk s GLU 87 Ca -0.01 -0.67 0.08 0.00 0.36 0.00 0.00 54.97 54.73 1xnk s GLU 87 Cb -0.03 -2.77 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 1xnk s GLU 87 CO -0.00 0.04 -0.17 1.52 -0.54 0.00 0.00 175.26 176.11 1xnk s TYR 88 N 0.82 1.73 -0.01 5.30 -0.85 0.10 -1.17 117.35 123.27 1xnk s TYR 88 Ca -0.03 -0.50 -0.01 0.00 -0.52 0.00 0.00 57.07 56.01 1xnk s TYR 88 Cb -0.15 -0.86 0.00 0.00 0.38 0.00 0.00 41.96 41.33 1xnk s TYR 88 CO 0.01 0.30 0.03 0.71 -1.52 0.00 0.00 175.55 175.07 1xnk s TYR 89 N -2.18 -0.00 -0.41 -3.49 1.51 -0.11 -1.92 117.35 110.75 1xnk s TYR 89 Ca 0.15 0.02 0.04 0.00 -1.01 0.00 0.00 57.07 56.27 1xnk s TYR 89 Cb -0.05 -0.01 0.11 0.00 -0.11 0.00 0.00 41.96 41.90 1xnk s TYR 89 CO 0.06 -0.04 0.13 0.08 -1.11 0.00 0.00 175.55 174.68 1xnk s VAL 90 N -0.15 2.30 -0.45 0.71 1.01 0.05 -1.37 120.40 122.51 1xnk s VAL 90 Ca -0.02 -2.66 -0.29 0.00 0.00 0.00 0.00 61.98 59.01 1xnk s VAL 90 Cb -0.01 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.73 1xnk s VAL 90 CO -0.00 -0.68 1.23 -0.69 0.00 0.00 0.00 175.10 174.96 1xnk s VAL 91 N 0.49 4.12 -0.02 2.92 1.01 0.13 -1.23 120.40 127.80 1xnk s VAL 91 Ca 0.13 1.15 -0.09 0.00 0.00 0.00 0.00 61.98 63.17 1xnk s VAL 91 Cb -0.22 -4.46 -0.31 0.00 0.00 0.00 0.00 36.38 31.40 1xnk s VAL 91 CO -0.06 -0.89 0.76 -0.33 0.00 0.00 0.00 175.10 174.58 1xnk h GLU 92 N 9.66 0.37 -3.43 2.72 4.39 -1.43 -1.94 114.58 124.91 1xnk h GLU 92 Ca -0.24 -0.64 -0.05 0.00 0.34 0.00 0.00 59.36 58.77 1xnk h GLU 92 Cb 1.08 0.24 -0.12 0.00 -0.10 0.00 0.00 28.75 29.84 1xnk h GLU 92 CO 1.11 1.28 -0.08 0.45 -1.16 0.00 0.00 179.01 180.60 1xnk s SER 93 N -7.24 -0.20 0.27 1.42 0.15 -1.01 -1.44 113.70 105.64 1xnk s SER 93 Ca -0.13 -0.42 -0.19 0.00 0.70 0.00 0.00 55.95 55.91 1xnk s SER 93 Cb 0.06 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.87 1xnk s SER 93 CO 0.87 -0.90 0.64 0.72 1.20 0.00 0.00 173.24 175.77 1xnk s PHE 94 N -3.84 -0.03 0.00 3.44 -0.12 -1.26 -1.36 117.98 114.81 1xnk s PHE 94 Ca 0.06 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.54 1xnk s PHE 94 Cb 0.01 0.55 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 1xnk s PHE 94 CO -0.09 -1.16 0.00 0.41 -0.05 0.00 0.00 175.22 174.34 1xnk n GLY 95 N -0.43 0.66 0.15 1.99 0.00 0.41 -4.92 105.19 103.04 1xnk n GLY 95 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1xnk n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xnk h THR 96 N 0.00 0.00 -3.37 2.61 1.35 -1.52 -3.44 112.91 108.53 1xnk h THR 96 Ca 0.00 -0.59 -0.67 0.00 -0.55 0.00 0.00 66.41 64.60 1xnk h THR 96 Cb 0.00 1.57 -0.31 0.00 -1.73 0.00 0.00 68.15 67.67 1xnk h THR 96 CO 0.00 0.00 -0.76 -0.47 -0.25 0.00 0.00 175.52 174.04 1xnk s TYR 97 N -3.18 2.97 -0.35 4.73 5.04 -1.26 -4.98 117.35 120.31 1xnk s TYR 97 Ca 0.08 -1.38 -0.29 0.00 -2.44 0.00 0.00 57.07 53.05 1xnk s TYR 97 Cb 0.10 -2.04 0.02 0.00 0.35 0.00 0.00 41.96 40.38 1xnk s TYR 97 CO 0.59 -0.69 1.12 0.34 -1.34 0.00 0.00 175.55 175.57 1xnk s ASP 98 N 1.37 6.84 0.11 4.32 -1.08 -1.26 -4.85 116.67 122.12 1xnk s ASP 98 Ca 0.03 0.97 0.07 0.00 -0.52 0.00 0.00 52.55 53.10 1xnk s ASP 98 Cb -0.15 -2.54 0.40 0.00 -1.46 0.00 0.00 42.92 39.17 1xnk s ASP 98 CO -0.06 -0.98 1.22 -0.81 0.52 0.00 0.00 175.17 175.06 1xnk n PRO 99 N 7.12 0.05 -0.15 4.34 -0.04 -1.26 -1.34 135.00 143.72 1xnk n PRO 99 Ca 0.12 0.54 0.11 0.00 -0.04 0.00 0.00 63.50 64.23 1xnk n PRO 99 Cb 0.47 -1.67 0.28 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.75 2.61 -4.67 3.54 3.41 -1.26 -4.84 113.62 110.65 1xnk n SER 100 Ca -0.00 -1.88 -0.46 0.00 -0.26 0.00 0.00 58.87 56.27 1xnk n SER 100 Cb 0.02 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 63.74 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 0.94 0.67 -0.92 6.66 -1.04 -0.45 -0.57 114.28 119.57 1xnk n THR 101 Ca 0.18 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1xnk n THR 101 Cb 0.47 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 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 4.47 0.66 3.86 3.41 0.00 -1.26 -5.00 105.19 111.33 1xnk n GLY 102 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.88 3.16 -0.31 4.61 0.00 0.26 -5.01 121.76 121.59 1xnk s ALA 103 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.66 1xnk s ALA 103 Cb 0.00 -2.98 0.01 0.00 0.00 0.00 0.00 23.12 20.15 1xnk s ALA 103 CO 0.00 -0.29 1.21 0.99 0.00 0.00 0.00 175.76 177.67 1xnk s THR 104 N -2.69 4.29 0.17 0.00 2.01 -1.19 -4.93 115.64 113.30 1xnk s THR 104 Ca 0.56 1.47 -0.30 0.00 0.31 0.00 0.00 61.69 63.73 1xnk s THR 104 Cb -0.10 -4.27 -0.07 0.00 0.01 0.00 0.00 72.50 68.07 1xnk s THR 104 CO 0.37 -0.48 1.06 -0.60 -0.69 0.00 0.00 174.62 174.28 1xnk s ARG 105 N 3.95 4.63 -0.20 4.92 3.52 -1.26 -2.05 118.95 132.45 1xnk s ARG 105 Ca 0.52 1.65 0.12 0.00 -0.13 0.00 0.00 55.73 57.89 1xnk s ARG 105 Cb -0.15 -3.29 0.42 0.00 -1.56 0.00 0.00 34.95 30.37 1xnk s ARG 105 CO 0.20 0.13 1.22 -1.33 -0.81 0.00 0.00 175.30 174.71 1xnk n MET 106 N 2.37 1.51 0.00 5.12 2.81 0.12 -4.96 117.12 124.09 1xnk n MET 106 Ca 0.02 -3.24 0.00 0.00 -1.81 0.00 0.00 57.70 52.67 1xnk n MET 106 Cb 0.47 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 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 -1.04 -1.10 3.44 3.03 0.00 -1.25 -4.79 105.19 103.47 1xnk n GLY 107 Ca 0.18 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.08 -0.03 1.61 1.04 -1.26 -0.43 113.70 110.54 1xnk s SER 108 Ca 0.00 -0.74 -0.03 0.00 0.48 0.00 0.00 55.95 55.66 1xnk s SER 108 Cb 0.00 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.64 1xnk s SER 108 CO 0.00 -0.98 0.08 0.54 0.98 0.00 0.00 173.24 173.86 1xnk s VAL 109 N -3.94 -0.00 -0.23 5.02 0.11 0.27 -4.92 120.40 116.71 1xnk s VAL 109 Ca 0.15 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.16 1xnk s VAL 109 Cb 0.01 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.72 1xnk s VAL 109 CO 0.00 0.00 -0.00 -0.89 -3.33 0.00 0.00 175.10 170.88 1xnk s THR 110 N 0.10 3.73 -0.05 5.04 2.01 -1.26 -0.51 115.64 124.69 1xnk s THR 110 Ca -0.00 -0.37 -0.27 0.00 0.31 0.00 0.00 61.69 61.35 1xnk s THR 110 Cb -0.01 -2.72 0.06 0.00 0.01 0.00 0.00 72.50 69.84 1xnk s THR 110 CO -0.00 0.40 0.61 0.28 -0.69 0.00 0.00 174.62 175.21 1xnk s THR 111 N 1.47 0.01 -1.56 -0.82 -1.32 -0.27 -4.95 115.64 108.20 1xnk s THR 111 Ca 0.05 -0.09 -0.14 0.00 -1.21 0.00 0.00 61.69 60.30 1xnk s THR 111 Cb -0.15 -0.92 0.10 0.00 -1.51 0.00 0.00 72.50 70.02 1xnk s THR 111 CO -0.00 -0.05 0.96 0.47 -2.21 0.00 0.00 174.62 173.78 1xnk n ASP 112 N 1.09 -4.59 0.00 8.08 8.00 -1.26 -1.26 116.55 126.61 1xnk n ASP 112 Ca -0.19 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1xnk n ASP 112 Cb 0.57 -3.72 0.00 0.00 -0.02 0.00 0.00 41.12 37.94 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 0.80 3.50 0.44 0.00 -1.26 -4.89 105.19 102.12 1xnk n GLY 113 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 2.28 -0.05 -0.02 0.00 -0.39 -5.15 107.32 101.99 1xnk s GLY 114 Ca 0.00 -1.83 0.06 0.00 0.00 0.00 0.00 44.72 42.94 1xnk s GLY 114 CO 0.00 -1.87 -0.23 -1.59 0.00 0.00 0.00 173.10 169.41 1xnk s THR 115 N -3.19 1.88 -0.06 0.90 2.01 -1.26 -1.11 115.64 114.81 1xnk s THR 115 Ca 0.32 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.37 1xnk s THR 115 Cb 0.07 -1.59 0.01 0.00 0.01 0.00 0.00 72.50 71.00 1xnk s THR 115 CO 0.15 0.53 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.17 1xnk s TYR 116 N -0.15 1.41 0.14 4.92 1.51 0.33 -0.94 117.35 124.58 1xnk s TYR 116 Ca -0.02 -0.48 -0.21 0.00 -1.01 0.00 0.00 57.07 55.34 1xnk s TYR 116 Cb -0.13 -1.02 -0.07 0.00 -0.11 0.00 0.00 41.96 40.62 1xnk s TYR 116 CO 0.03 -0.24 0.67 -0.80 -1.11 0.00 0.00 175.55 174.10 1xnk s ASN 117 N 0.53 7.15 -0.11 2.29 0.01 -0.60 -0.57 114.94 123.65 1xnk s ASN 117 Ca -0.12 1.41 -0.06 0.00 -0.71 0.00 0.00 52.86 53.39 1xnk s ASN 117 Cb -0.14 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 1xnk s ASN 117 CO 0.03 0.18 0.11 -0.63 -1.51 0.00 0.00 177.10 175.28 1xnk s ILE 118 N -1.25 5.22 0.11 0.60 1.01 0.42 -0.93 121.20 126.39 1xnk s ILE 118 Ca 0.35 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 61.04 1xnk s ILE 118 Cb -0.20 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.00 1xnk s ILE 118 CO 0.22 0.61 0.14 -0.31 0.00 0.00 0.00 174.94 175.60 1xnk s TYR 119 N -0.98 0.43 -0.02 3.97 1.51 -0.19 0.15 117.35 122.21 1xnk s TYR 119 Ca 0.14 -0.86 0.03 0.00 -1.01 0.00 0.00 57.07 55.37 1xnk s TYR 119 Cb -0.12 -0.21 0.00 0.00 -0.11 0.00 0.00 41.96 41.52 1xnk s TYR 119 CO 0.04 -0.55 -0.10 0.50 -1.11 0.00 0.00 175.55 174.33 1xnk s ARG 120 N -3.94 0.96 0.31 -0.62 3.52 -0.87 -1.01 118.95 117.30 1xnk s ARG 120 Ca 0.12 -0.33 0.03 0.00 -0.13 0.00 0.00 55.73 55.42 1xnk s ARG 120 Cb 0.06 -0.90 -0.04 0.00 -1.56 0.00 0.00 34.95 32.51 1xnk s ARG 120 CO -0.06 0.14 0.15 0.95 -0.81 0.00 0.00 175.30 175.67 1xnk s THR 121 N 0.09 0.41 0.00 4.11 -4.23 -0.40 -3.17 115.64 112.46 1xnk s THR 121 Ca -0.02 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1xnk s THR 121 Cb -0.08 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 1xnk s THR 121 CO 0.00 0.00 -0.06 -1.58 -0.54 0.00 0.00 174.62 172.45 1xnk s GLN 122 N -3.82 0.46 -0.15 3.99 0.74 -1.26 -0.69 119.66 118.93 1xnk s GLN 122 Ca 0.35 -0.27 -0.01 0.00 0.05 0.00 0.00 55.36 55.47 1xnk s GLN 122 Cb 0.05 -0.41 -0.01 0.00 1.10 0.00 0.00 33.01 33.74 1xnk s GLN 122 CO 0.17 0.11 -0.11 1.03 -0.55 0.00 0.00 175.29 175.94 1xnk s ARG 123 N -0.33 3.39 -0.26 1.67 1.81 0.33 -4.97 118.95 120.60 1xnk s ARG 123 Ca 0.00 -0.67 -0.09 0.00 -1.72 0.00 0.00 55.73 53.26 1xnk s ARG 123 Cb -0.03 -2.72 -0.04 0.00 -0.45 0.00 0.00 34.95 31.71 1xnk s ARG 123 CO -0.00 0.13 0.13 0.08 -0.68 0.00 0.00 175.30 174.95 1xnk s VAL 124 N 0.58 4.82 -1.20 3.52 1.01 -1.26 -1.03 120.40 126.84 1xnk s VAL 124 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 61.98 61.59 1xnk s VAL 124 Cb -0.15 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 32.99 1xnk s VAL 124 CO 0.03 0.31 0.70 0.59 0.00 0.00 0.00 175.10 176.73 1xnk n ASN 125 N 4.88 -4.35 -4.62 3.32 5.03 -0.64 -4.89 115.26 113.98 1xnk n ASN 125 Ca -0.15 -1.25 -0.26 0.00 0.87 0.00 0.00 54.58 53.78 1xnk n ASN 125 Cb 0.52 -1.94 -0.10 0.00 -1.02 0.00 0.00 39.78 37.24 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 -3.51 3.20 0.50 5.41 0.00 0.90 -4.66 121.76 123.59 1xnk s ALA 126 Ca 0.49 -2.17 -0.24 0.00 0.00 0.00 0.00 51.96 50.05 1xnk s ALA 126 Cb -0.25 -0.07 -0.07 0.00 0.00 0.00 0.00 23.12 22.73 1xnk s ALA 126 CO 0.96 -0.05 1.40 -2.14 0.00 0.00 0.00 175.76 175.93 1xnk s PRO 127 N -3.72 3.42 0.36 0.00 0.02 -1.26 -1.31 135.00 132.51 1xnk s PRO 127 Ca 0.35 2.35 -0.15 0.00 0.02 0.00 0.00 61.00 63.58 1xnk s PRO 127 Cb 0.05 -2.47 0.04 0.00 0.02 0.00 0.00 34.50 32.15 1xnk s PRO 127 CO 0.19 -1.01 0.73 -1.54 -0.33 0.00 0.00 177.00 175.04 1xnk s SER 128 N -0.70 0.08 0.00 2.53 1.04 -0.77 -4.85 113.70 111.04 1xnk s SER 128 Ca 0.66 -1.11 0.18 0.00 0.48 0.00 0.00 55.95 56.17 1xnk s SER 128 Cb -0.43 0.80 1.01 0.00 0.10 0.00 0.00 66.02 67.50 1xnk s SER 128 CO 0.53 -1.58 1.54 2.30 0.98 0.00 0.00 173.24 177.01 1xnk n ILE 129 N -0.52 0.26 -0.44 -1.02 -5.35 -1.26 -2.11 119.36 108.91 1xnk n ILE 129 Ca -0.06 0.07 0.04 0.00 -0.27 0.00 0.00 62.75 62.53 1xnk n ILE 129 Cb 0.60 -0.77 0.07 0.00 -1.74 0.00 0.00 39.64 37.80 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 -1.16 2.35 0.00 6.28 1.02 -1.26 -5.11 120.64 122.76 1xnk n GLU 130 Ca 0.11 -1.98 0.00 0.00 -0.02 0.00 0.00 57.16 55.27 1xnk n GLU 130 Cb 0.11 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 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 -0.79 -1.75 3.65 0.62 0.00 -0.90 -4.87 105.19 101.15 1xnk n GLY 131 Ca 0.07 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 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 4.16 0.23 2.61 2.01 -1.26 -1.85 115.64 121.54 1xnk s THR 132 Ca 0.00 1.38 -0.10 0.00 0.31 0.00 0.00 61.69 63.28 1xnk s THR 132 Cb 0.00 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 1xnk s THR 132 CO 0.00 -0.22 0.38 -0.54 -0.69 0.00 0.00 174.62 173.55 1xnk s LYS 133 N 3.78 1.43 -0.19 4.92 -0.14 -0.43 -4.84 119.74 124.28 1xnk s LYS 133 Ca 0.57 -1.33 -0.03 0.00 -1.36 0.00 0.00 55.97 53.82 1xnk s LYS 133 Cb -0.21 0.42 -0.01 0.00 -1.68 0.00 0.00 37.83 36.34 1xnk s LYS 133 CO 0.19 -0.57 -0.05 0.99 -0.76 0.00 0.00 175.35 175.15 1xnk s THR 134 N -4.05 3.48 0.18 2.17 2.01 -1.26 -0.07 115.64 118.11 1xnk s THR 134 Ca 0.26 -0.48 -0.13 0.00 0.31 0.00 0.00 61.69 61.66 1xnk s THR 134 Cb 0.01 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.98 1xnk s THR 134 CO 0.09 0.45 0.39 0.72 -0.69 0.00 0.00 174.62 175.58 1xnk s PHE 135 N 1.02 0.16 0.26 4.92 -0.71 -0.20 -4.91 117.98 118.53 1xnk s PHE 135 Ca 0.00 -0.52 -0.07 0.00 -1.04 0.00 0.00 56.93 55.30 1xnk s PHE 135 Cb -0.15 0.15 -0.06 0.00 -1.21 0.00 0.00 43.02 41.75 1xnk s PHE 135 CO 0.00 -0.81 0.56 0.71 -1.34 0.00 0.00 175.22 174.34 1xnk s TYR 136 N -3.92 3.45 -0.07 3.49 2.02 -1.26 -0.51 117.35 120.55 1xnk s TYR 136 Ca 0.13 0.77 0.05 0.00 -0.37 0.00 0.00 57.07 57.65 1xnk s TYR 136 Cb 0.01 -2.19 -0.01 0.00 -0.40 0.00 0.00 41.96 39.38 1xnk s TYR 136 CO -0.01 0.21 -0.24 -0.65 -1.57 0.00 0.00 175.55 173.29 1xnk s GLN 137 N -3.20 2.63 -0.07 -0.62 -0.21 0.14 -2.34 119.66 115.99 1xnk s GLN 137 Ca 0.46 -0.86 -0.01 0.00 0.02 0.00 0.00 55.36 54.97 1xnk s GLN 137 Cb -0.11 -2.14 -0.03 0.00 1.00 0.00 0.00 33.01 31.73 1xnk s GLN 137 CO 0.26 0.30 -0.01 0.71 -2.12 0.00 0.00 175.29 174.42 1xnk s TYR 138 N 0.04 3.10 0.02 0.91 2.02 -0.31 -1.27 117.35 121.85 1xnk s TYR 138 Ca -0.09 0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.78 1xnk s TYR 138 Cb -0.15 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1xnk s TYR 138 CO 0.05 0.44 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.79 1xnk s TRP 139 N -0.91 0.93 -0.22 2.71 0.52 -0.18 -0.94 118.94 120.86 1xnk s TRP 139 Ca 0.14 -0.28 -0.01 0.00 0.02 0.00 0.00 56.10 55.97 1xnk s TRP 139 Cb -0.11 -0.57 0.06 0.00 -1.15 0.00 0.00 33.47 31.69 1xnk s TRP 139 CO 0.04 -0.01 -0.02 -1.12 0.02 0.00 0.00 176.95 175.86 1xnk s SER 140 N -0.77 3.45 -0.24 2.95 0.01 -0.47 -1.03 113.70 117.60 1xnk s SER 140 Ca 0.01 -1.02 -0.05 0.00 1.31 0.00 0.00 55.95 56.20 1xnk s SER 140 Cb -0.06 -0.93 -0.00 0.00 0.21 0.00 0.00 66.02 65.24 1xnk s SER 140 CO 0.00 -0.27 -0.01 -0.69 0.41 0.00 0.00 173.24 172.69 1xnk s VAL 141 N 1.59 3.54 0.29 3.43 1.01 -0.10 0.17 120.40 130.33 1xnk s VAL 141 Ca -0.04 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 1xnk s VAL 141 Cb -0.18 -2.68 -0.10 0.00 0.00 0.00 0.00 36.38 33.42 1xnk s VAL 141 CO -0.07 0.32 1.45 -0.60 0.00 0.00 0.00 175.10 176.21 1xnk s ARG 142 N 1.48 4.23 0.41 2.72 3.52 -0.73 -1.56 118.95 129.02 1xnk s ARG 142 Ca 0.05 2.38 0.28 0.00 -0.13 0.00 0.00 55.73 58.31 1xnk s ARG 142 Cb -0.15 -3.07 1.05 0.00 -1.56 0.00 0.00 34.95 31.23 1xnk s ARG 142 CO -0.02 -0.44 1.83 1.79 -0.81 0.00 0.00 175.30 177.66 1xnk h THR 143 N 3.34 0.00 -3.36 4.11 1.35 -1.40 -3.41 112.91 113.54 1xnk h THR 143 Ca -0.47 -0.48 -0.45 0.00 -0.55 0.00 0.00 66.41 64.46 1xnk h THR 143 Cb 1.22 1.39 -0.35 0.00 -1.73 0.00 0.00 68.15 68.68 1xnk h THR 143 CO 0.74 0.00 -0.78 -0.55 -0.25 0.00 0.00 175.52 174.68 1xnk s SER 144 N -5.17 1.41 0.39 5.36 0.15 -1.26 -5.11 113.70 109.48 1xnk s SER 144 Ca 0.04 -0.17 -0.26 0.00 0.70 0.00 0.00 55.95 56.27 1xnk s SER 144 Cb 0.09 -0.56 -0.09 0.00 -1.71 0.00 0.00 66.02 63.76 1xnk s SER 144 CO 0.52 -0.09 1.19 -0.54 1.20 0.00 0.00 173.24 175.51 1xnk s LYS 145 N 1.28 4.08 0.10 5.44 1.02 -1.26 -4.94 119.74 125.45 1xnk s LYS 145 Ca -0.05 1.89 -0.13 0.00 0.02 0.00 0.00 55.97 57.70 1xnk s LYS 145 Cb -0.14 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.47 1xnk s LYS 145 CO -0.02 -0.31 0.31 -0.98 -0.92 0.00 0.00 175.35 173.42 1xnk s ARG 146 N -2.24 0.94 -0.39 1.68 1.70 -0.52 -5.00 118.95 115.12 1xnk s ARG 146 Ca 0.56 -0.76 0.11 0.00 -0.47 0.00 0.00 55.73 55.17 1xnk s ARG 146 Cb -0.32 0.40 0.44 0.00 -0.57 0.00 0.00 34.95 34.90 1xnk s ARG 146 CO 0.40 -0.33 1.04 0.25 -1.08 0.00 0.00 175.30 175.58 1xnk n THR 147 N -0.01 1.74 0.00 4.99 -2.24 -1.26 -3.85 114.28 113.65 1xnk n THR 147 Ca -0.16 -4.08 0.00 0.00 -2.27 0.00 0.00 64.05 57.54 1xnk n THR 147 Cb 0.62 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.29 3.56 0.00 3.38 0.00 -1.26 -1.97 105.19 108.62 1xnk n GLY 148 Ca 0.25 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.96 0.69 3.50 -0.02 0.00 -0.31 -4.99 105.19 103.10 1xnk n GLY 149 Ca 0.00 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.16 3.28 -0.21 2.61 2.01 -1.26 -1.44 115.64 117.47 1xnk s THR 150 Ca 0.00 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1xnk s THR 150 Cb 0.00 -2.31 0.05 0.00 0.01 0.00 0.00 72.50 70.24 1xnk s THR 150 CO 0.00 0.59 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.72 1xnk s VAL 151 N -0.67 1.73 -0.80 3.82 1.01 0.93 -4.77 120.40 121.65 1xnk s VAL 151 Ca 0.10 -1.12 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 1xnk s VAL 151 Cb -0.11 -1.81 0.12 0.00 0.00 0.00 0.00 36.38 34.58 1xnk s VAL 151 CO 0.01 0.14 0.98 -0.89 0.00 0.00 0.00 175.10 175.33 1xnk s THR 152 N 1.35 4.76 0.45 3.92 2.01 -1.26 -1.16 115.64 125.70 1xnk s THR 152 Ca -0.02 -1.33 0.19 0.00 0.31 0.00 0.00 61.69 60.84 1xnk s THR 152 Cb -0.17 -4.67 0.38 0.00 0.01 0.00 0.00 72.50 68.05 1xnk s THR 152 CO -0.08 -1.37 1.91 0.24 -0.69 0.00 0.00 174.62 174.62 1xnk h MET 153 N 8.93 0.31 -0.50 4.92 2.86 -1.78 -1.74 114.93 127.94 1xnk h MET 153 Ca -0.02 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1xnk h MET 153 Cb 1.05 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 1xnk h MET 153 CO 1.08 0.21 0.34 0.00 1.06 0.00 0.00 176.91 179.60 1xnk h ALA 154 N 1.64 1.74 -0.15 6.32 0.00 -1.74 -0.32 119.26 126.75 1xnk h ALA 154 Ca 0.39 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 1xnk h ALA 154 Cb 1.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1xnk h ALA 154 CO -0.11 0.20 -0.47 -0.91 0.00 0.00 0.00 179.25 177.96 1xnk h ASN 155 N 0.59 0.41 -0.00 0.00 2.35 -1.64 -1.14 115.58 116.15 1xnk h ASN 155 Ca 0.20 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1xnk h ASN 155 Cb 0.08 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1xnk h ASN 155 CO -0.05 0.82 -0.09 0.45 -1.65 0.00 0.00 177.43 176.91 1xnk h HIS 156 N 0.31 0.10 -0.68 1.19 3.86 -1.41 -2.59 115.15 115.92 1xnk h HIS 156 Ca 0.02 -0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1xnk h HIS 156 Cb 0.94 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.36 1xnk h HIS 156 CO 0.03 0.82 0.43 0.74 0.86 0.00 0.00 177.93 180.80 1xnk h PHE 157 N -0.64 0.81 -0.29 2.45 0.04 -1.09 -0.99 116.94 117.22 1xnk h PHE 157 Ca -0.01 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.66 1xnk h PHE 157 Cb 0.84 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1xnk h PHE 157 CO 0.18 0.47 -0.31 -0.91 -0.60 0.00 0.00 178.31 177.14 1xnk h ASN 158 N 0.85 0.62 -0.63 2.17 2.35 -1.30 -0.05 115.58 119.60 1xnk h ASN 158 Ca 0.27 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 1xnk h ASN 158 Cb 0.00 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 1xnk h ASN 158 CO -0.10 0.90 0.20 0.00 -1.65 0.00 0.00 177.43 176.78 1xnk h ALA 159 N 1.14 0.82 0.06 -0.83 0.00 -1.03 -0.44 119.26 118.99 1xnk h ALA 159 Ca 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xnk h ALA 159 Cb 0.79 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xnk h ALA 159 CO 0.06 0.48 -0.03 -1.49 0.00 0.00 0.00 179.25 178.28 1xnk h TRP 160 N 0.90 -0.07 -0.61 0.00 6.55 -0.88 -2.28 115.95 119.55 1xnk h TRP 160 Ca 0.20 -0.00 0.05 0.00 0.95 0.00 0.00 58.89 60.09 1xnk h TRP 160 Cb 0.28 0.02 -0.05 0.00 -0.86 0.00 0.00 29.16 28.56 1xnk h TRP 160 CO 0.02 0.20 0.34 0.00 -1.05 0.00 0.00 178.44 177.94 1xnk h ARG 161 N -0.34 0.62 0.00 0.49 3.08 -0.89 -0.51 114.38 116.83 1xnk h ARG 161 Ca -0.01 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1xnk h ARG 161 Cb 0.30 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1xnk h ARG 161 CO 0.01 0.41 -0.19 1.96 -1.07 0.00 0.00 179.97 181.09 1xnk h GLN 162 N 0.64 0.00 -0.07 0.04 4.20 -1.03 -0.85 115.11 118.04 1xnk h GLN 162 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1xnk h GLN 162 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1xnk h GLN 162 CO -0.16 0.19 0.00 0.00 -0.67 0.00 0.00 178.83 178.19 1xnk n ALA 163 N -2.46 2.54 -0.47 3.87 0.00 -0.63 -4.86 120.51 118.50 1xnk n ALA 163 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1xnk n ALA 163 Cb 0.26 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.78 0.75 3.32 0.00 0.00 -0.33 -5.03 105.19 104.68 1xnk n GLY 164 Ca 0.10 -0.10 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1xnk n GLY 164 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xnk s LEU 165 N 0.00 6.16 0.45 0.99 1.43 -0.30 -4.99 118.68 122.42 1xnk s LEU 165 Ca 0.00 -1.81 -0.23 0.00 -1.03 0.00 0.00 54.13 51.06 1xnk s LEU 165 Cb 0.00 -2.22 -0.07 0.00 0.03 0.00 0.00 46.19 43.93 1xnk s LEU 165 CO 0.00 -0.87 1.17 -1.10 0.23 0.00 0.00 176.35 175.78 1xnk s GLN 166 N 1.61 3.78 0.06 1.70 -0.21 -1.26 -3.18 119.66 122.16 1xnk s GLN 166 Ca 0.04 1.79 0.09 0.00 0.02 0.00 0.00 55.36 57.30 1xnk s GLN 166 Cb -0.29 -2.43 -0.03 0.00 1.00 0.00 0.00 33.01 31.26 1xnk s GLN 166 CO 0.03 -0.53 -0.25 -0.51 -2.12 0.00 0.00 175.29 171.90 1xnk s LEU 167 N -2.97 2.29 0.00 2.90 1.43 -1.26 -4.90 118.68 116.17 1xnk s LEU 167 Ca 0.63 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1xnk s LEU 167 Cb -0.29 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.61 1xnk s LEU 167 CO 0.35 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.79 1xnk n GLY 168 N 1.57 1.94 3.73 -3.19 0.00 -1.25 -4.64 105.19 103.36 1xnk n GLY 168 Ca -0.17 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 1xnk n GLY 168 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnk s SER 169 N -0.98 7.48 0.24 1.61 0.01 0.14 -4.66 113.70 117.54 1xnk s SER 169 Ca 0.00 1.79 -0.30 0.00 1.31 0.00 0.00 55.95 58.75 1xnk s SER 169 Cb 0.00 -2.59 -0.10 0.00 0.21 0.00 0.00 66.02 63.54 1xnk s SER 169 CO 0.00 -0.09 1.50 -1.00 0.41 0.00 0.00 173.24 174.05 1xnk s HIS 170 N 0.10 2.98 0.00 2.43 0.09 -1.26 -0.26 115.29 119.37 1xnk s HIS 170 Ca 0.48 0.90 0.00 0.00 -0.00 0.00 0.00 55.06 56.43 1xnk s HIS 170 Cb -0.23 -3.89 0.00 0.00 -0.00 0.00 0.00 32.58 28.46 1xnk s HIS 170 CO 0.30 -3.00 0.00 -3.47 -0.00 0.00 0.00 174.74 168.57 1xnk n ASP 171 N 2.64 0.00 -4.77 1.40 2.03 0.47 -4.51 116.55 113.80 1xnk n ASP 171 Ca 0.08 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.09 1xnk n ASP 171 Cb 0.39 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.88 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 4.17 2.67 -0.23 -0.67 -0.85 -1.26 -0.40 117.35 120.78 1xnk s TYR 172 Ca 0.00 1.42 -0.03 0.00 -0.52 0.00 0.00 57.07 57.94 1xnk s TYR 172 Cb 0.00 -3.04 0.12 0.00 0.38 0.00 0.00 41.96 39.41 1xnk s TYR 172 CO 0.00 -1.79 0.29 -1.14 -1.52 0.00 0.00 175.55 171.39 1xnk s GLN 173 N -4.97 0.27 0.21 -3.49 0.74 0.39 -1.93 119.66 110.88 1xnk s GLN 173 Ca 0.61 0.30 0.02 0.00 0.05 0.00 0.00 55.36 56.33 1xnk s GLN 173 Cb -0.16 -0.85 -0.05 0.00 1.10 0.00 0.00 33.01 33.05 1xnk s GLN 173 CO 0.56 -0.70 0.03 0.96 -0.55 0.00 0.00 175.29 175.59 1xnk s ILE 174 N 2.42 0.71 -0.47 -2.34 -4.36 0.41 -0.21 121.20 117.36 1xnk s ILE 174 Ca 0.10 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.33 1xnk s ILE 174 Cb -0.15 -2.34 0.06 0.00 1.25 0.00 0.00 42.46 41.28 1xnk s ILE 174 CO -0.16 -0.29 0.41 -0.69 0.24 0.00 0.00 174.94 174.45 1xnk s VAL 175 N -3.64 5.20 0.30 8.37 1.01 -0.21 0.21 120.40 131.64 1xnk s VAL 175 Ca 0.29 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1xnk s VAL 175 Cb 0.07 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1xnk s VAL 175 CO 0.08 -0.57 0.11 0.00 0.00 0.00 0.00 175.10 174.73 1xnk s ALA 176 N 1.76 3.43 -0.03 5.51 0.00 0.65 -3.27 121.76 129.80 1xnk s ALA 176 Ca 0.05 -1.69 0.07 0.00 0.00 0.00 0.00 51.96 50.40 1xnk s ALA 176 Cb -0.23 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 1xnk s ALA 176 CO 0.08 0.14 -0.25 0.99 0.00 0.00 0.00 175.76 176.72 1xnk s THR 177 N -2.34 2.03 0.06 0.00 2.01 -0.32 -1.13 115.64 115.95 1xnk s THR 177 Ca 0.35 -1.09 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1xnk s THR 177 Cb -0.05 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1xnk s THR 177 CO 0.22 0.57 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.95 1xnk s GLU 178 N -0.47 0.61 -0.04 4.92 2.12 -0.04 -1.47 118.70 124.33 1xnk s GLU 178 Ca 0.06 -0.93 -0.21 0.00 0.36 0.00 0.00 54.97 54.25 1xnk s GLU 178 Cb -0.11 -0.24 0.04 0.00 0.26 0.00 0.00 34.13 34.08 1xnk s GLU 178 CO 0.00 0.02 0.46 0.20 -0.54 0.00 0.00 175.26 175.41 1xnk s GLY 179 N -2.03 -0.32 -0.13 -1.50 0.00 -0.24 -1.19 107.32 101.90 1xnk s GLY 179 Ca -0.03 0.78 -0.04 0.00 0.00 0.00 0.00 44.72 45.42 1xnk s GLY 179 CO -0.01 0.52 0.09 -0.47 0.00 0.00 0.00 173.10 173.22 1xnk s TYR 180 N -1.13 0.12 -1.29 1.90 5.04 -0.53 -1.54 117.35 119.93 1xnk s TYR 180 Ca -0.11 -0.09 -0.06 0.00 -2.44 0.00 0.00 57.07 54.37 1xnk s TYR 180 Cb -0.03 -0.60 0.04 0.00 0.35 0.00 0.00 41.96 41.72 1xnk s TYR 180 CO 0.06 -0.41 0.38 0.66 -1.34 0.00 0.00 175.55 174.90 1xnk n TYR 181 N 5.29 -1.72 -4.27 4.97 4.02 0.91 -4.26 117.16 122.10 1xnk n TYR 181 Ca -0.06 0.35 -0.20 0.00 -0.01 0.00 0.00 57.90 57.99 1xnk n TYR 181 Cb 0.49 -3.24 -0.03 0.00 -0.02 0.00 0.00 39.34 36.55 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 -2.21 2.69 -4.02 7.72 3.41 -1.24 -4.75 113.62 115.22 1xnk n SER 182 Ca -0.07 -2.39 -0.10 0.00 -0.26 0.00 0.00 58.87 56.05 1xnk n SER 182 Cb 0.58 0.15 -0.08 0.00 -0.26 0.00 0.00 64.21 64.61 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 -2.91 0.07 0.00 4.04 1.04 -0.65 -3.71 113.70 111.58 1xnk s SER 183 Ca 0.06 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1xnk s SER 183 Cb -0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1xnk s SER 183 CO 0.04 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1xnk n GLY 184 N -0.23 0.60 3.20 7.32 0.00 0.13 -0.36 105.19 115.86 1xnk n GLY 184 Ca -0.05 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 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 0.10 -0.28 1.61 1.04 -0.90 -0.94 113.70 110.34 1xnk s SER 185 Ca 0.00 -0.61 -0.25 0.00 0.48 0.00 0.00 55.95 55.58 1xnk s SER 185 Cb 0.00 0.33 0.10 0.00 0.10 0.00 0.00 66.02 66.55 1xnk s SER 185 CO 0.00 -0.71 0.87 0.00 0.98 0.00 0.00 173.24 174.39 1xnk s ALA 186 N -3.68 -1.88 -0.15 5.32 0.00 -0.17 -1.14 121.76 120.07 1xnk s ALA 186 Ca 0.04 1.96 -0.00 0.00 0.00 0.00 0.00 51.96 53.96 1xnk s ALA 186 Cb 0.04 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 21.88 1xnk s ALA 186 CO -0.10 -0.29 -0.09 0.99 0.00 0.00 0.00 175.76 176.27 1xnk s THR 187 N 0.33 1.26 -0.06 0.00 2.01 -0.59 -0.48 115.64 118.11 1xnk s THR 187 Ca 0.01 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 61.50 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 -0.03 0.29 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.27 1xnk s VAL 188 N 1.59 1.94 -0.20 3.82 1.01 -0.21 -0.90 120.40 127.46 1xnk s VAL 188 Ca 0.03 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1xnk s VAL 188 Cb -0.14 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.63 1xnk s VAL 188 CO -0.09 0.54 -0.11 0.21 0.00 0.00 0.00 175.10 175.65 1xnk s ASN 189 N -0.09 3.45 -0.22 3.32 3.04 -0.40 -1.10 114.94 122.94 1xnk s ASN 189 Ca -0.05 -0.90 -0.17 0.00 0.04 0.00 0.00 52.86 51.78 1xnk s ASN 189 Cb -0.14 -1.28 -0.03 0.00 -1.54 0.00 0.00 41.25 38.26 1xnk s ASN 189 CO 0.04 -0.13 0.46 -0.69 -3.04 0.00 0.00 177.10 173.73 1xnk s VAL 190 N 1.36 5.14 0.00 -5.21 1.01 0.34 -1.60 120.40 121.44 1xnk s VAL 190 Ca -0.01 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1xnk s VAL 190 Cb -0.16 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1xnk s VAL 190 CO -0.08 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.81