#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6w n ASP 2 N 0.00 2.63 -3.74 6.15 8.00 -1.26 -5.02 116.55 123.31 1t6w n ASP 2 Ca 0.00 -0.09 -0.30 0.00 0.71 0.00 0.00 54.79 55.11 1t6w n ASP 2 Cb 0.00 -0.28 0.29 0.00 -0.02 0.00 0.00 41.12 41.11 1t6w n ASP 2 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1t6w s SER 3 N -5.70 -0.74 0.22 -2.24 1.04 -1.26 -4.70 113.70 100.31 1t6w s SER 3 Ca -0.24 1.10 -0.15 0.00 0.48 0.00 0.00 55.95 57.14 1t6w s SER 3 Cb 0.06 -1.62 0.01 0.00 0.10 0.00 0.00 66.02 64.57 1t6w s SER 3 CO 0.40 -5.20 0.50 -0.83 0.98 0.00 0.00 173.24 169.09 1t6w s GLY 4 N -2.82 0.20 -0.00 7.32 0.00 -1.14 -4.97 107.32 105.90 1t6w s GLY 4 Ca 0.68 -0.55 -0.04 0.00 0.00 0.00 0.00 44.72 44.81 1t6w s GLY 4 CO 0.61 -0.45 0.08 -1.59 0.00 0.00 0.00 173.10 171.75 1t6w s THR 5 N -3.94 0.07 0.03 0.90 2.01 -1.26 0.12 115.64 113.57 1t6w s THR 5 Ca 0.15 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1t6w s THR 5 Cb -0.01 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.16 1t6w s THR 5 CO 0.03 -0.32 -0.04 0.54 -0.69 0.00 0.00 174.62 174.13 1t6w s VAL 6 N -1.07 0.20 -0.11 3.82 0.11 0.33 -4.90 120.40 118.78 1t6w s VAL 6 Ca -0.12 -0.99 0.03 0.00 -2.93 0.00 0.00 61.98 57.98 1t6w s VAL 6 Cb -0.07 -0.39 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 1t6w s VAL 6 CO 0.01 -0.50 -0.22 0.26 -3.33 0.00 0.00 175.10 171.31 1t6w s TRP 7 N -1.57 2.47 0.32 1.54 0.52 -1.26 -0.99 118.94 119.97 1t6w s TRP 7 Ca -0.14 -1.06 -0.00 0.00 0.02 0.00 0.00 56.10 54.92 1t6w s TRP 7 Cb -0.09 -1.67 0.00 0.00 -1.15 0.00 0.00 33.47 30.56 1t6w s TRP 7 CO -0.01 -0.45 0.42 0.41 0.02 0.00 0.00 176.95 177.34 1t6w n GLY 8 N 3.67 2.32 3.03 0.98 0.00 -0.26 -5.01 105.19 109.92 1t6w n GLY 8 Ca -0.19 -1.64 -0.23 0.00 0.00 0.00 0.00 46.02 43.96 1t6w n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t6w s ALA 9 N -2.77 1.10 0.16 4.61 0.00 -1.26 0.01 121.76 123.60 1t6w s ALA 9 Ca 0.28 -0.41 -0.34 0.00 0.00 0.00 0.00 51.96 51.50 1t6w s ALA 9 Cb -0.00 -0.43 -0.15 0.00 0.00 0.00 0.00 23.12 22.53 1t6w s ALA 9 CO 0.20 0.15 1.41 -0.11 0.00 0.00 0.00 175.76 177.41 1t6w n LEU 10 N 3.46 2.43 0.00 0.00 7.94 -0.57 -0.85 117.00 129.41 1t6w n LEU 10 Ca -0.20 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 1t6w n LEU 10 Cb 0.53 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.15 1t6w n LEU 10 CO 0.25 -0.71 0.00 0.61 -1.11 0.00 0.00 177.39 176.43 1t6w n GLY 11 N 2.67 1.35 3.84 -3.96 0.00 -0.17 -4.82 105.19 104.11 1t6w n GLY 11 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1t6w n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1t6w s HIS 12 N -2.61 2.74 0.52 1.61 5.65 -0.03 -4.54 115.29 118.64 1t6w s HIS 12 Ca 0.00 -0.45 -0.09 0.00 0.25 0.00 0.00 55.06 54.78 1t6w s HIS 12 Cb 0.00 -2.01 0.13 0.00 -1.18 0.00 0.00 32.58 29.52 1t6w s HIS 12 CO 0.00 0.03 0.48 0.41 -0.65 0.00 0.00 174.74 175.02 1t6w n GLY 13 N -1.43 -2.45 0.00 1.59 0.00 -1.26 -1.34 105.19 100.30 1t6w n GLY 13 Ca 0.01 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1t6w n GLY 13 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1t6w n ILE 14 N -3.45 0.00 -4.39 -0.61 0.13 -1.24 -4.69 119.36 105.11 1t6w n ILE 14 Ca 0.07 0.00 -0.28 0.00 -1.10 0.00 0.00 62.75 61.44 1t6w n ILE 14 Cb 0.25 0.00 -0.17 0.00 -0.84 0.00 0.00 39.64 38.89 1t6w n ILE 14 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1t6w s ASP 15 N 0.00 2.32 -0.14 9.51 2.15 -1.26 -1.36 116.67 127.89 1t6w s ASP 15 Ca 0.00 -0.40 -0.29 0.00 0.43 0.00 0.00 52.55 52.29 1t6w s ASP 15 Cb 0.00 -1.02 -0.01 0.00 -0.30 0.00 0.00 42.92 41.58 1t6w s ASP 15 CO 0.00 -0.00 1.14 -0.76 -0.17 0.00 0.00 175.17 175.38 1t6w s LEU 16 N 1.05 4.20 -0.24 -1.34 1.02 -0.70 -4.94 118.68 117.73 1t6w s LEU 16 Ca -0.06 1.62 -0.08 0.00 0.02 0.00 0.00 54.13 55.63 1t6w s LEU 16 Cb -0.15 -3.55 -0.04 0.00 0.02 0.00 0.00 46.19 42.48 1t6w s LEU 16 CO -0.02 -0.63 0.10 -1.81 0.02 0.00 0.00 176.35 174.01 1t6w s ASP 17 N 1.48 5.53 -0.25 2.29 1.01 -1.26 -3.39 116.67 122.08 1t6w s ASP 17 Ca 0.51 -0.06 -0.27 0.00 0.71 0.00 0.00 52.55 53.43 1t6w s ASP 17 Cb -0.20 -1.99 0.01 0.00 1.01 0.00 0.00 42.92 41.74 1t6w s ASP 17 CO 0.15 0.03 0.97 -0.63 0.21 0.00 0.00 175.17 175.90 1t6w s ILE 18 N 1.27 4.72 0.22 0.77 1.01 -1.26 -5.00 121.20 122.92 1t6w s ILE 18 Ca 0.06 1.83 -0.32 0.00 0.00 0.00 0.00 60.65 62.21 1t6w s ILE 18 Cb -0.14 -4.26 -0.12 0.00 0.01 0.00 0.00 42.46 37.95 1t6w s ILE 18 CO 0.05 -0.18 1.70 -2.65 0.00 0.00 0.00 174.94 173.85 1t6w n PRO 19 N 6.27 2.75 -3.84 2.79 -0.02 -1.26 -3.55 135.00 138.14 1t6w n PRO 19 Ca 0.10 0.99 -0.32 0.00 -2.02 0.00 0.00 63.50 62.25 1t6w n PRO 19 Cb 0.47 -2.82 0.01 0.00 -0.02 0.00 0.00 33.50 31.14 1t6w n PRO 19 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1t6w n ASN 20 N 3.63 -4.84 -3.93 2.55 2.85 -1.26 -4.99 115.26 109.27 1t6w n ASN 20 Ca 0.15 -1.04 -0.10 0.00 -0.11 0.00 0.00 54.58 53.47 1t6w n ASN 20 Cb 0.35 -2.10 -0.11 0.00 1.24 0.00 0.00 39.78 39.16 1t6w n ASN 20 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1t6w s PHE 21 N -3.24 0.16 -0.15 1.20 5.36 -1.23 -5.07 117.98 115.00 1t6w s PHE 21 Ca 0.24 -0.34 -0.04 0.00 -0.96 0.00 0.00 56.93 55.83 1t6w s PHE 21 Cb -0.12 -0.12 0.07 0.00 -0.34 0.00 0.00 43.02 42.51 1t6w s PHE 21 CO 0.91 -0.21 0.21 -0.65 -1.46 0.00 0.00 175.22 174.03 1t6w s GLN 22 N -1.31 0.13 -1.30 10.12 -0.21 -1.26 -5.01 119.66 120.82 1t6w s GLN 22 Ca -0.14 0.43 -0.18 0.00 0.02 0.00 0.00 55.36 55.49 1t6w s GLN 22 Cb -0.08 -0.67 0.03 0.00 1.00 0.00 0.00 33.01 33.28 1t6w s GLN 22 CO -0.00 -0.47 1.92 -0.12 -2.12 0.00 0.00 175.29 174.50 1t6w n MET 23 N 5.33 2.80 -2.09 2.91 0.00 -1.26 -4.73 117.12 120.08 1t6w n MET 23 Ca -0.05 -2.90 -0.09 0.00 -0.00 0.00 0.00 57.70 54.66 1t6w n MET 23 Cb 0.50 -3.43 0.01 0.00 0.00 0.00 0.00 33.22 30.30 1t6w n MET 23 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1t6w n THR 24 N 6.16 0.00 0.07 1.12 -2.24 -1.26 -4.86 114.28 113.27 1t6w n THR 24 Ca 0.49 -0.80 0.14 0.00 -2.27 0.00 0.00 64.05 61.62 1t6w n THR 24 Cb 0.44 -0.55 0.63 0.00 -2.10 0.00 0.00 70.33 68.74 1t6w n THR 24 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1t6w h ASP 25 N 0.15 0.08 0.36 3.42 3.32 -2.03 0.70 116.42 122.42 1t6w h ASP 25 Ca -0.12 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 1t6w h ASP 25 Cb 0.49 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1t6w h ASP 25 CO 0.18 0.05 -0.18 -2.24 -1.72 0.00 0.00 179.24 175.33 1t6w h ASP 26 N 0.09 0.00 -3.35 6.45 3.04 -1.94 -3.42 116.42 117.29 1t6w h ASP 26 Ca 0.17 0.00 -0.57 0.00 -3.24 0.00 0.00 57.03 53.39 1t6w h ASP 26 Cb 0.57 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 38.80 1t6w h ASP 26 CO -0.02 0.18 0.21 -0.63 -2.04 0.00 0.00 179.24 176.95 1t6w s ILE 27 N -4.26 4.98 -0.09 4.15 -1.09 0.24 -2.87 121.20 122.26 1t6w s ILE 27 Ca -0.03 1.53 -0.00 0.00 -2.23 0.00 0.00 60.65 59.92 1t6w s ILE 27 Cb 0.14 -4.09 -0.06 0.00 -1.58 0.00 0.00 42.46 36.88 1t6w s ILE 27 CO 0.64 0.16 -0.09 0.47 -1.23 0.00 0.00 174.94 174.88 1t6w n ASP 28 N 4.39 2.76 -4.12 3.58 9.92 -0.66 -4.76 116.55 127.66 1t6w n ASP 28 Ca 0.01 -0.01 -0.23 0.00 -0.53 0.00 0.00 54.79 54.02 1t6w n ASP 28 Cb 0.50 -0.17 -0.15 0.00 -0.64 0.00 0.00 41.12 40.66 1t6w n ASP 28 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1t6w s GLU 29 N -2.18 1.30 -0.10 -1.24 -6.30 -1.04 -2.26 118.70 106.88 1t6w s GLU 29 Ca -0.12 -0.53 -0.04 0.00 -2.50 0.00 0.00 54.97 51.77 1t6w s GLU 29 Cb 0.04 -1.23 0.05 0.00 0.00 0.00 0.00 34.13 32.99 1t6w s GLU 29 CO 0.20 0.29 0.21 0.08 0.02 0.00 0.00 175.26 176.06 1t6w s VAL 30 N -0.24 -0.21 -0.03 3.70 1.01 -0.89 0.70 120.40 124.44 1t6w s VAL 30 Ca 0.03 0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.33 1t6w s VAL 30 Cb -0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 1t6w s VAL 30 CO -0.00 0.10 -0.24 -0.13 0.00 0.00 0.00 175.10 174.84 1t6w s ARG 31 N 1.87 2.27 -0.81 2.72 0.52 -0.93 0.18 118.95 124.77 1t6w s ARG 31 Ca -0.03 -0.88 -0.02 0.00 -0.52 0.00 0.00 55.73 54.28 1t6w s ARG 31 Cb -0.12 -2.13 0.20 0.00 0.52 0.00 0.00 34.95 33.43 1t6w s ARG 31 CO -0.07 0.54 0.67 -1.58 0.02 0.00 0.00 175.30 174.88 1t6w s TRP 32 N -0.55 3.74 0.15 -0.53 0.52 0.25 -1.90 118.94 120.62 1t6w s TRP 32 Ca 0.08 -2.95 -0.03 0.00 0.02 0.00 0.00 56.10 53.23 1t6w s TRP 32 Cb -0.11 -3.21 -0.05 0.00 -1.15 0.00 0.00 33.47 28.95 1t6w s TRP 32 CO 0.00 -0.76 0.36 -1.21 0.02 0.00 0.00 176.95 175.36 1t6w s GLU 33 N -0.98 3.56 -0.13 4.98 2.02 -0.23 -1.58 118.70 126.34 1t6w s GLU 33 Ca 0.24 -0.22 -0.04 0.00 0.02 0.00 0.00 54.97 54.97 1t6w s GLU 33 Cb -0.11 -2.87 0.06 0.00 0.10 0.00 0.00 34.13 31.32 1t6w s GLU 33 CO -0.10 0.46 0.18 0.50 0.02 0.00 0.00 175.26 176.32 1t6w s ARG 34 N -2.87 0.09 6.24 1.61 3.52 -0.70 -0.47 118.95 126.37 1t6w s ARG 34 Ca 0.39 0.44 0.00 0.00 -0.13 0.00 0.00 55.73 56.44 1t6w s ARG 34 Cb -0.12 -0.60 0.00 0.00 -1.56 0.00 0.00 34.95 32.67 1t6w s ARG 34 CO 0.27 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.75 1t6w n GLY 35 N 5.32 2.72 2.24 8.12 0.00 -1.26 -1.47 105.19 120.86 1t6w n GLY 35 Ca -0.05 0.31 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 1t6w n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t6w n SER 36 N 9.77 5.05 -3.66 1.61 7.64 -1.26 -5.03 113.62 127.75 1t6w n SER 36 Ca 0.00 -3.74 -0.10 0.00 1.01 0.00 0.00 58.87 56.03 1t6w n SER 36 Cb 0.00 -0.44 -0.05 0.00 -1.01 0.00 0.00 64.21 62.71 1t6w n SER 36 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1t6w s THR 37 N -4.99 0.07 0.04 0.44 2.01 -0.54 -5.17 115.64 107.49 1t6w s THR 37 Ca 0.50 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.88 1t6w s THR 37 Cb 0.41 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1t6w s THR 37 CO -0.07 -0.32 0.09 -0.76 -0.69 0.00 0.00 174.62 172.87 1t6w s LEU 38 N -2.81 3.90 -0.01 4.42 1.43 -1.26 -1.71 118.68 122.63 1t6w s LEU 38 Ca 0.04 0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1t6w s LEU 38 Cb 0.02 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 1t6w s LEU 38 CO -0.11 0.22 -0.01 0.52 0.23 0.00 0.00 176.35 177.20 1t6w n VAL 39 N 0.78 0.06 -3.24 -1.59 0.31 -0.61 -4.52 118.33 109.53 1t6w n VAL 39 Ca -0.10 -0.02 0.04 0.00 -0.01 0.00 0.00 64.34 64.24 1t6w n VAL 39 Cb 0.52 -0.74 -0.03 0.00 -0.91 0.00 0.00 33.84 32.68 1t6w n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t6w s ALA 40 N -2.02 -3.19 0.22 3.52 0.00 -1.20 -1.43 121.76 117.66 1t6w s ALA 40 Ca -0.02 1.72 0.09 0.00 0.00 0.00 0.00 51.96 53.76 1t6w s ALA 40 Cb 0.00 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 1t6w s ALA 40 CO 0.02 -1.16 -0.17 -1.83 0.00 0.00 0.00 175.76 172.63 1t6w s GLU 41 N 2.53 1.43 0.09 0.00 -1.05 -1.21 -0.58 118.70 119.92 1t6w s GLU 41 Ca -0.02 -1.63 0.07 0.00 -0.15 0.00 0.00 54.97 53.25 1t6w s GLU 41 Cb -0.06 -1.35 -0.03 0.00 -0.44 0.00 0.00 34.13 32.25 1t6w s GLU 41 CO -0.14 0.24 -0.19 0.12 0.95 0.00 0.00 175.26 176.23 1t6w s PHE 42 N -2.73 1.66 -0.30 4.83 5.36 0.49 -3.20 117.98 124.09 1t6w s PHE 42 Ca 0.24 -0.43 -0.03 0.00 -0.96 0.00 0.00 56.93 55.76 1t6w s PHE 42 Cb -0.03 -0.91 0.18 0.00 -0.34 0.00 0.00 43.02 41.92 1t6w s PHE 42 CO 0.09 0.17 0.59 0.21 -1.46 0.00 0.00 175.22 174.83 1t6w s LYS 43 N -1.85 0.56 0.10 10.12 2.20 -1.26 -2.09 119.74 127.52 1t6w s LYS 43 Ca 0.04 1.06 -0.34 0.00 -0.36 0.00 0.00 55.97 56.37 1t6w s LYS 43 Cb -0.10 0.55 -0.14 0.00 -1.51 0.00 0.00 37.83 36.63 1t6w s LYS 43 CO 0.04 -0.55 1.56 -0.09 -0.36 0.00 0.00 175.35 175.95 1t6w h ARG 44 N 8.01 -0.74 -1.96 4.03 9.65 -1.83 -1.82 114.38 129.72 1t6w h ARG 44 Ca -0.22 0.05 -0.22 0.00 -1.10 0.00 0.00 59.98 58.49 1t6w h ARG 44 Cb 1.15 0.17 -0.08 0.00 -1.39 0.00 0.00 29.97 29.82 1t6w h ARG 44 CO 0.23 -0.49 -0.10 1.17 2.80 0.00 0.00 179.97 183.58 1t6w n LYS 45 N -5.49 1.87 -2.51 0.20 4.81 -1.26 -4.82 118.16 110.96 1t6w n LYS 45 Ca -0.09 -1.11 0.01 0.00 -0.87 0.00 0.00 58.31 56.26 1t6w n LYS 45 Cb 0.42 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.66 1t6w n LYS 45 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1t6w n MET 46 N 1.83 0.01 -4.16 1.64 2.81 -0.68 -5.17 117.12 113.39 1t6w n MET 46 Ca 0.35 -0.16 -0.25 0.00 -1.81 0.00 0.00 57.70 55.83 1t6w n MET 46 Cb 0.74 0.29 -0.06 0.00 -0.71 0.00 0.00 33.22 33.48 1t6w n MET 46 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1t6w s LYS 47 N -2.00 2.64 0.60 0.03 1.02 -1.26 -4.66 119.74 116.11 1t6w s LYS 47 Ca 0.09 -1.07 -0.09 0.00 0.02 0.00 0.00 55.97 54.91 1t6w s LYS 47 Cb -0.00 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.83 1t6w s LYS 47 CO -0.01 0.44 0.97 -1.25 -0.92 0.00 0.00 175.35 174.58 1t6w s PRO 48 N -3.29 3.39 -0.33 -1.68 0.05 -1.26 -4.60 135.00 127.28 1t6w s PRO 48 Ca 0.30 0.49 0.01 0.00 0.05 0.00 0.00 61.00 61.86 1t6w s PRO 48 Cb -0.09 -2.16 0.10 0.00 0.05 0.00 0.00 34.50 32.41 1t6w s PRO 48 CO 0.22 -0.58 0.09 0.12 0.05 0.00 0.00 177.00 176.89 1t6w s PHE 49 N -3.09 2.54 -0.46 0.56 5.36 -1.19 -4.99 117.98 116.71 1t6w s PHE 49 Ca 0.54 -2.28 -0.21 0.00 -0.96 0.00 0.00 56.93 54.02 1t6w s PHE 49 Cb -0.11 -2.21 0.03 0.00 -0.34 0.00 0.00 43.02 40.39 1t6w s PHE 49 CO 0.51 -0.90 0.65 -0.51 -1.46 0.00 0.00 175.22 173.51 1t6w s LEU 50 N 1.26 4.56 0.47 6.12 1.43 -1.26 -3.29 118.68 127.97 1t6w s LEU 50 Ca 0.11 -0.44 0.28 0.00 -1.03 0.00 0.00 54.13 53.05 1t6w s LEU 50 Cb -0.18 -2.68 1.35 0.00 0.03 0.00 0.00 46.19 44.70 1t6w s LEU 50 CO -0.17 -0.82 1.76 0.50 0.23 0.00 0.00 176.35 177.85 1t6w h LYS 51 N 8.92 0.17 -1.60 1.70 3.64 -1.48 -3.44 116.57 124.49 1t6w h LYS 51 Ca -0.26 -0.01 0.26 0.00 -1.27 0.00 0.00 60.65 59.37 1t6w h LYS 51 Cb 1.09 -0.04 -0.16 0.00 -0.41 0.00 0.00 32.23 32.72 1t6w h LYS 51 CO 0.91 0.11 0.77 -1.54 -2.27 0.00 0.00 179.45 177.43 1t6w s SER 52 N -5.10 -0.14 0.00 4.20 1.04 -1.26 -5.00 113.70 107.44 1t6w s SER 52 Ca -0.07 -0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.35 1t6w s SER 52 Cb 0.25 0.19 0.27 0.00 0.10 0.00 0.00 66.02 66.83 1t6w s SER 52 CO 0.81 -0.33 1.07 0.61 0.98 0.00 0.00 173.24 176.37 1t6w n GLY 53 N -0.25 -0.53 0.00 7.32 0.00 -1.26 -2.26 105.19 108.21 1t6w n GLY 53 Ca -0.03 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.03 1t6w n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t6w n ALA 54 N -1.35 2.50 -2.35 4.61 0.00 -1.26 -4.80 120.51 117.86 1t6w n ALA 54 Ca 0.02 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1t6w n ALA 54 Cb 0.05 -1.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.18 1t6w n ALA 54 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1t6w s PHE 55 N -2.00 1.12 -0.17 0.00 0.08 -0.96 -1.10 117.98 114.96 1t6w s PHE 55 Ca 0.20 -0.73 -0.05 0.00 0.12 0.00 0.00 56.93 56.47 1t6w s PHE 55 Cb 0.09 -0.60 0.08 0.00 -0.57 0.00 0.00 43.02 42.02 1t6w s PHE 55 CO 0.15 0.01 0.31 -2.00 -0.10 0.00 0.00 175.22 173.60 1t6w s GLU 56 N -3.28 0.22 -0.75 0.44 2.56 0.02 -4.95 118.70 112.95 1t6w s GLU 56 Ca 0.11 0.76 -0.26 0.00 0.00 0.00 0.00 54.97 55.57 1t6w s GLU 56 Cb 0.00 -0.08 0.02 0.00 2.00 0.00 0.00 34.13 36.07 1t6w s GLU 56 CO -0.00 -0.34 1.44 -1.50 -0.56 0.00 0.00 175.26 174.29 1t6w s ILE 57 N 2.48 3.66 1.01 -3.70 2.07 -1.26 -0.69 121.20 124.77 1t6w s ILE 57 Ca 0.02 0.20 -0.15 0.00 -1.41 0.00 0.00 60.65 59.31 1t6w s ILE 57 Cb -0.13 -4.70 0.05 0.00 0.13 0.00 0.00 42.46 37.81 1t6w s ILE 57 CO -0.11 -1.64 0.19 0.18 -1.91 0.00 0.00 174.94 171.65 1t6w n LEU 58 N 10.17 -1.20 0.27 8.50 4.32 0.61 -4.83 117.00 134.85 1t6w n LEU 58 Ca 0.11 0.17 0.15 0.00 -0.02 0.00 0.00 56.01 56.43 1t6w n LEU 58 Cb 0.50 -1.10 0.73 0.00 -1.62 0.00 0.00 43.42 41.94 1t6w n LEU 58 CO 0.70 -3.55 0.98 0.00 -1.22 0.00 0.00 177.39 174.30 1t6w h ALA 59 N -1.70 1.10 -0.81 -1.18 0.00 -1.94 -2.70 119.26 112.03 1t6w h ALA 59 Ca -0.47 -0.08 -0.46 0.00 0.00 0.00 0.00 54.91 53.91 1t6w h ALA 59 Cb 1.31 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.84 1t6w h ALA 59 CO 0.35 0.11 0.59 0.27 0.00 0.00 0.00 179.25 180.56 1t6w n ASN 60 N -3.33 4.66 -3.30 0.00 0.23 -1.26 -4.79 115.26 107.46 1t6w n ASN 60 Ca -0.01 -3.37 -0.24 0.00 -0.53 0.00 0.00 54.58 50.43 1t6w n ASN 60 Cb 0.27 -0.84 0.03 0.00 -2.08 0.00 0.00 39.78 37.16 1t6w n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1t6w n GLY 61 N -0.73 -0.52 3.74 4.83 0.00 -1.02 -4.43 105.19 107.07 1t6w n GLY 61 Ca 0.49 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 46.42 1t6w n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t6w s ASP 62 N -2.87 5.09 -0.26 1.61 1.11 -1.25 -4.85 116.67 115.25 1t6w s ASP 62 Ca 0.41 -0.37 -0.11 0.00 0.18 0.00 0.00 52.55 52.66 1t6w s ASP 62 Cb -0.20 -1.17 -0.05 0.00 1.07 0.00 0.00 42.92 42.57 1t6w s ASP 62 CO 0.51 0.02 0.21 -0.22 1.18 0.00 0.00 175.17 176.86 1t6w s LEU 63 N -3.49 4.06 -0.36 1.23 2.96 -1.22 -0.28 118.68 121.58 1t6w s LEU 63 Ca 0.31 0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 54.23 1t6w s LEU 63 Cb -0.08 -2.16 0.05 0.00 0.50 0.00 0.00 46.19 44.50 1t6w s LEU 63 CO 0.22 -0.03 0.14 -0.75 -1.32 0.00 0.00 176.35 174.61 1t6w s LYS 64 N 1.55 2.56 0.09 1.98 2.20 0.13 -1.72 119.74 126.54 1t6w s LYS 64 Ca 0.08 -1.29 -0.22 0.00 -0.36 0.00 0.00 55.97 54.19 1t6w s LYS 64 Cb -0.15 -3.52 -0.07 0.00 -1.51 0.00 0.00 37.83 32.58 1t6w s LYS 64 CO 0.09 -0.75 0.66 0.42 -0.36 0.00 0.00 175.35 175.41 1t6w s ILE 65 N 1.38 4.62 -0.14 5.43 1.01 -0.46 -0.80 121.20 132.24 1t6w s ILE 65 Ca -0.00 1.43 -0.21 0.00 0.00 0.00 0.00 60.65 61.87 1t6w s ILE 65 Cb -0.20 -4.01 -0.25 0.00 0.01 0.00 0.00 42.46 38.01 1t6w s ILE 65 CO 0.02 0.51 0.54 0.50 0.00 0.00 0.00 174.94 176.51 1t6w h LYS 66 N 4.69 0.12 -2.74 2.79 3.64 -1.42 -3.29 116.57 120.36 1t6w h LYS 66 Ca -0.48 -0.20 -0.35 0.00 -1.27 0.00 0.00 60.65 58.35 1t6w h LYS 66 Cb 1.21 0.08 -0.37 0.00 -0.41 0.00 0.00 32.23 32.73 1t6w h LYS 66 CO 0.66 1.10 -0.66 -0.80 -2.27 0.00 0.00 179.45 177.47 1t6w s ASN 67 N -6.77 1.53 0.43 4.20 -0.87 -1.26 -4.13 114.94 108.08 1t6w s ASN 67 Ca -0.22 -0.24 -0.24 0.00 -1.57 0.00 0.00 52.86 50.59 1t6w s ASN 67 Cb 0.03 0.21 -0.10 0.00 -0.02 0.00 0.00 41.25 41.36 1t6w s ASN 67 CO 0.70 -0.32 1.03 0.18 -2.57 0.00 0.00 177.10 176.12 1t6w n LEU 68 N 5.31 2.81 -4.03 0.60 4.77 -0.45 -4.60 117.00 121.41 1t6w n LEU 68 Ca -0.06 1.02 -0.07 0.00 -0.03 0.00 0.00 56.01 56.87 1t6w n LEU 68 Cb 0.49 -1.37 -0.09 0.00 -2.33 0.00 0.00 43.42 40.12 1t6w n LEU 68 CO 0.08 -1.44 -0.29 0.42 -1.33 0.00 0.00 177.39 174.83 1t6w s THR 69 N -1.29 0.20 0.12 -5.08 -4.23 -1.26 -1.00 115.64 103.11 1t6w s THR 69 Ca 0.64 -1.65 -0.28 0.00 -1.18 0.00 0.00 61.69 59.22 1t6w s THR 69 Cb -0.54 -1.47 -0.06 0.00 1.34 0.00 0.00 72.50 71.77 1t6w s THR 69 CO 0.56 -0.91 1.60 0.03 -0.54 0.00 0.00 174.62 175.36 1t6w h ARG 70 N 3.05 -0.50 0.00 3.99 -0.00 -1.95 0.85 114.38 119.82 1t6w h ARG 70 Ca -0.34 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.17 1t6w h ARG 70 Cb 1.16 0.11 0.00 0.00 0.00 0.00 0.00 29.97 31.24 1t6w h ARG 70 CO 0.63 -0.33 0.21 0.38 0.00 0.00 0.00 179.97 180.86 1t6w h ASP 71 N -0.52 0.00 1.37 7.04 2.03 -2.01 0.26 116.42 124.59 1t6w h ASP 71 Ca 0.06 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 1t6w h ASP 71 Cb 0.61 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.11 1t6w h ASP 71 CO -0.30 0.00 0.00 -0.67 -1.03 0.00 0.00 179.24 177.24 1t6w n ASP 72 N -2.87 0.73 -4.70 4.15 2.03 0.28 -4.77 116.55 111.39 1t6w n ASP 72 Ca -0.02 0.58 -0.40 0.00 0.52 0.00 0.00 54.79 55.46 1t6w n ASP 72 Cb 0.26 -0.77 -0.04 0.00 -0.72 0.00 0.00 41.12 39.85 1t6w n ASP 72 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1t6w s SER 73 N -4.36 7.03 0.00 1.67 1.04 0.92 -4.84 113.70 115.15 1t6w s SER 73 Ca 0.10 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.78 1t6w s SER 73 Cb 0.13 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1t6w s SER 73 CO 0.57 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.20 1t6w n GLY 74 N 3.17 -0.32 3.13 7.32 0.00 -0.30 -5.00 105.19 113.20 1t6w n GLY 74 Ca 0.01 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 1t6w n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6w s THR 75 N -2.03 1.61 0.11 2.61 2.01 -1.26 0.32 115.64 119.01 1t6w s THR 75 Ca 0.00 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.29 1t6w s THR 75 Cb 0.00 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1t6w s THR 75 CO 0.00 0.46 0.05 -0.31 -0.69 0.00 0.00 174.62 174.13 1t6w s TYR 76 N 0.46 3.06 -0.07 4.92 1.51 0.33 -4.41 117.35 123.15 1t6w s TYR 76 Ca -0.16 -0.01 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 1t6w s TYR 76 Cb -0.17 -1.54 0.02 0.00 -0.11 0.00 0.00 41.96 40.17 1t6w s TYR 76 CO 0.06 0.50 -0.04 -0.80 -1.11 0.00 0.00 175.55 174.17 1t6w s ASN 77 N -2.58 1.43 -0.13 2.29 0.01 0.38 -0.98 114.94 115.38 1t6w s ASN 77 Ca 0.28 -0.15 -0.02 0.00 -0.71 0.00 0.00 52.86 52.25 1t6w s ASN 77 Cb -0.11 -0.54 -0.03 0.00 0.41 0.00 0.00 41.25 40.98 1t6w s ASN 77 CO 0.20 -0.11 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.96 1t6w s VAL 78 N 1.40 3.90 -0.31 1.60 1.01 0.28 -1.07 120.40 127.22 1t6w s VAL 78 Ca -0.03 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1t6w s VAL 78 Cb -0.13 -2.68 0.09 0.00 0.00 0.00 0.00 36.38 33.66 1t6w s VAL 78 CO -0.03 0.53 -0.00 -0.89 0.00 0.00 0.00 175.10 174.71 1t6w s THR 79 N -0.07 2.24 -0.14 3.92 2.01 -0.80 -1.29 115.64 121.51 1t6w s THR 79 Ca 0.02 -2.11 -0.16 0.00 0.31 0.00 0.00 61.69 59.75 1t6w s THR 79 Cb -0.13 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1t6w s THR 79 CO 0.03 -0.41 0.40 -0.69 -0.69 0.00 0.00 174.62 173.26 1t6w s VAL 80 N 0.97 5.24 0.19 3.82 1.01 0.29 -2.19 120.40 129.73 1t6w s VAL 80 Ca 0.04 0.78 0.10 0.00 0.00 0.00 0.00 61.98 62.90 1t6w s VAL 80 Cb -0.19 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1t6w s VAL 80 CO -0.07 0.34 -0.22 -0.31 0.00 0.00 0.00 175.10 174.85 1t6w s TYR 81 N 0.62 2.14 0.77 5.22 2.02 0.22 0.11 117.35 128.44 1t6w s TYR 81 Ca 0.22 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.49 1t6w s TYR 81 Cb -0.14 -1.05 0.14 0.00 -0.40 0.00 0.00 41.96 40.51 1t6w s TYR 81 CO 0.08 0.46 1.06 -1.54 -1.57 0.00 0.00 175.55 174.03 1t6w s SER 82 N -2.72 4.09 0.57 2.29 1.04 0.65 -1.65 113.70 117.97 1t6w s SER 82 Ca 0.20 -0.29 0.33 0.00 0.48 0.00 0.00 55.95 56.66 1t6w s SER 82 Cb -0.07 -0.00 1.69 0.00 0.10 0.00 0.00 66.02 67.74 1t6w s SER 82 CO 0.09 -2.05 2.14 0.71 0.98 0.00 0.00 173.24 175.12 1t6w h THR 83 N -0.74 0.34 -0.57 2.02 1.35 -1.85 -1.61 112.91 111.85 1t6w h THR 83 Ca -0.37 -0.37 -0.14 0.00 -0.55 0.00 0.00 66.41 64.98 1t6w h THR 83 Cb 1.26 1.27 -0.08 0.00 -1.73 0.00 0.00 68.15 68.86 1t6w h THR 83 CO 0.39 0.06 0.18 0.59 -0.25 0.00 0.00 175.52 176.49 1t6w n ASN 84 N -3.44 4.36 -2.07 5.36 3.02 -1.26 -4.88 115.26 116.35 1t6w n ASN 84 Ca -0.02 -2.92 -0.20 0.00 -0.03 0.00 0.00 54.58 51.40 1t6w n ASN 84 Cb 0.20 -0.69 -0.04 0.00 -0.61 0.00 0.00 39.78 38.64 1t6w n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t6w n GLY 85 N 0.05 0.51 3.90 7.41 0.00 -0.61 -4.97 105.19 111.49 1t6w n GLY 85 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 1t6w n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6w s THR 86 N -2.91 5.11 -0.16 2.61 2.01 -1.26 -4.82 115.64 116.23 1t6w s THR 86 Ca 0.00 -0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.70 1t6w s THR 86 Cb 0.00 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1t6w s THR 86 CO 0.00 -0.12 1.28 -0.13 -0.69 0.00 0.00 174.62 174.97 1t6w s ARG 87 N -3.06 4.22 -0.03 4.92 0.52 -1.26 -0.25 118.95 124.00 1t6w s ARG 87 Ca 0.42 1.68 -0.02 0.00 -0.52 0.00 0.00 55.73 57.28 1t6w s ARG 87 Cb -0.11 -3.78 -0.01 0.00 0.52 0.00 0.00 34.95 31.57 1t6w s ARG 87 CO 0.27 -0.72 -0.05 -0.89 0.02 0.00 0.00 175.30 173.92 1t6w n ILE 88 N 5.40 0.31 -3.75 1.52 2.08 0.29 -4.88 119.36 120.33 1t6w n ILE 88 Ca 0.14 0.43 -0.13 0.00 0.56 0.00 0.00 62.75 63.76 1t6w n ILE 88 Cb 0.45 -1.69 -0.13 0.00 -0.75 0.00 0.00 39.64 37.52 1t6w n ILE 88 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1t6w s LEU 89 N -5.40 0.69 -0.30 1.39 0.20 -1.02 -4.98 118.68 109.26 1t6w s LEU 89 Ca -0.04 0.47 0.01 0.00 0.69 0.00 0.00 54.13 55.26 1t6w s LEU 89 Cb 0.01 0.70 0.07 0.00 -0.43 0.00 0.00 46.19 46.53 1t6w s LEU 89 CO 0.06 -0.13 -0.01 0.21 -0.29 0.00 0.00 176.35 176.18 1t6w s ASN 90 N 0.88 4.76 0.22 3.68 3.04 -1.26 -0.55 114.94 125.71 1t6w s ASN 90 Ca -0.06 -1.53 0.11 0.00 0.04 0.00 0.00 52.86 51.41 1t6w s ASN 90 Cb -0.08 -1.65 -0.04 0.00 -1.54 0.00 0.00 41.25 37.93 1t6w s ASN 90 CO -0.05 -0.28 -0.16 -0.54 -3.04 0.00 0.00 177.10 173.02 1t6w s LYS 91 N 1.13 1.81 -0.05 0.43 -0.14 -0.41 -4.97 119.74 117.55 1t6w s LYS 91 Ca -0.03 -1.51 -0.01 0.00 -1.36 0.00 0.00 55.97 53.06 1t6w s LYS 91 Cb -0.20 -1.95 0.03 0.00 -1.68 0.00 0.00 37.83 34.03 1t6w s LYS 91 CO -0.04 0.39 0.03 0.00 -0.76 0.00 0.00 175.35 174.96 1t6w s ALA 92 N -1.99 0.40 0.29 5.17 0.00 -1.26 -0.55 121.76 123.82 1t6w s ALA 92 Ca 0.26 0.08 0.12 0.00 0.00 0.00 0.00 51.96 52.42 1t6w s ALA 92 Cb -0.07 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 1t6w s ALA 92 CO 0.14 -0.37 -0.18 -0.51 0.00 0.00 0.00 175.76 174.85 1t6w s LEU 93 N 1.79 2.64 -0.27 0.00 1.02 -0.15 -2.90 118.68 120.81 1t6w s LEU 93 Ca 0.01 -1.04 -0.05 0.00 0.02 0.00 0.00 54.13 53.07 1t6w s LEU 93 Cb -0.12 -1.11 0.01 0.00 0.02 0.00 0.00 46.19 44.98 1t6w s LEU 93 CO -0.03 0.00 0.03 -1.81 0.02 0.00 0.00 176.35 174.56 1t6w s ASP 94 N -3.53 4.84 -0.53 2.29 1.11 0.32 -0.52 116.67 120.65 1t6w s ASP 94 Ca 0.30 -0.65 -0.16 0.00 0.18 0.00 0.00 52.55 52.23 1t6w s ASP 94 Cb -0.04 -1.82 0.12 0.00 1.07 0.00 0.00 42.92 42.25 1t6w s ASP 94 CO 0.15 -0.14 0.48 -0.22 1.18 0.00 0.00 175.17 176.63 1t6w s LEU 95 N 1.47 6.11 -0.34 1.23 0.20 0.15 -0.51 118.68 126.98 1t6w s LEU 95 Ca 0.03 -1.73 -0.16 0.00 0.69 0.00 0.00 54.13 52.96 1t6w s LEU 95 Cb -0.16 -2.20 -0.01 0.00 -0.43 0.00 0.00 46.19 43.38 1t6w s LEU 95 CO 0.00 -0.83 0.38 -0.13 -0.29 0.00 0.00 176.35 175.49 1t6w s ARG 96 N 1.60 3.56 -0.20 1.98 1.81 -0.17 -1.14 118.95 126.40 1t6w s ARG 96 Ca 0.03 -0.39 -0.01 0.00 -1.72 0.00 0.00 55.73 53.64 1t6w s ARG 96 Cb -0.29 -3.81 0.01 0.00 -0.45 0.00 0.00 34.95 30.41 1t6w s ARG 96 CO 0.03 -0.55 -0.13 0.42 -0.68 0.00 0.00 175.30 174.40 1t6w s ILE 97 N 2.06 2.66 -0.11 1.52 1.01 -1.26 -1.10 121.20 125.98 1t6w s ILE 97 Ca 0.13 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.74 1t6w s ILE 97 Cb -0.16 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1t6w s ILE 97 CO 0.12 0.49 1.50 -0.76 0.00 0.00 0.00 174.94 176.29 1t6w s LEU 98 N 1.36 4.24 0.00 2.97 1.43 0.10 -4.78 118.68 124.00 1t6w s LEU 98 Ca 0.05 1.99 0.04 0.00 -1.03 0.00 0.00 54.13 55.18 1t6w s LEU 98 Cb -0.14 -3.53 0.27 0.00 0.03 0.00 0.00 46.19 42.81 1t6w s LEU 98 CO -0.08 -0.89 0.74 -0.62 0.23 0.00 0.00 176.35 175.73