#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 0.16 -4.63 6.15 2.03 -1.26 -5.04 116.55 113.96 1t6w n ASP 2 Ca 0.00 0.14 -0.42 0.00 0.52 0.00 0.00 54.79 55.03 1t6w n ASP 2 Cb 0.00 0.04 -0.03 0.00 -0.72 0.00 0.00 41.12 40.41 1t6w n ASP 2 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1t6w s SER 3 N -4.85 5.98 0.00 1.67 0.15 -1.26 -4.85 113.70 110.54 1t6w s SER 3 Ca 0.00 2.30 0.00 0.00 0.70 0.00 0.00 55.95 58.95 1t6w s SER 3 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1t6w s SER 3 CO 0.00 -1.48 0.00 0.61 1.20 0.00 0.00 173.24 173.57 1t6w n GLY 4 N 5.11 2.30 3.65 9.45 0.00 -1.26 -5.11 105.19 119.34 1t6w n GLY 4 Ca 0.24 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1t6w n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6w s THR 5 N -2.00 3.37 0.66 2.61 2.01 -1.26 -4.38 115.64 116.65 1t6w s THR 5 Ca 0.00 0.44 0.04 0.00 0.31 0.00 0.00 61.69 62.48 1t6w s THR 5 Cb 0.00 -3.31 0.11 0.00 0.01 0.00 0.00 72.50 69.31 1t6w s THR 5 CO 0.00 -0.07 0.91 0.68 -0.69 0.00 0.00 174.62 175.45 1t6w s VAL 6 N 4.61 2.11 0.11 3.82 -7.23 0.18 -4.94 120.40 119.06 1t6w s VAL 6 Ca 0.80 -0.79 -0.07 0.00 -1.81 0.00 0.00 61.98 60.11 1t6w s VAL 6 Cb -0.35 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1t6w s VAL 6 CO 0.34 0.00 0.17 0.26 -0.31 0.00 0.00 175.10 175.56 1t6w s TRP 7 N -2.93 0.34 0.21 2.82 0.52 -1.26 -1.65 118.94 116.99 1t6w s TRP 7 Ca 0.65 -0.77 -0.21 0.00 0.02 0.00 0.00 56.10 55.79 1t6w s TRP 7 Cb -0.05 -0.15 0.07 0.00 -1.15 0.00 0.00 33.47 32.19 1t6w s TRP 7 CO 0.42 -0.57 1.02 0.20 0.02 0.00 0.00 176.95 178.04 1t6w s GLY 8 N -2.92 0.15 -0.06 0.98 0.00 0.06 -4.79 107.32 100.74 1t6w s GLY 8 Ca 0.11 -0.39 0.05 0.00 0.00 0.00 0.00 44.72 44.48 1t6w s GLY 8 CO -0.07 2.26 -0.21 0.00 0.00 0.00 0.00 173.10 175.08 1t6w s ALA 9 N -2.15 1.89 0.26 3.20 0.00 -1.26 0.12 121.76 123.81 1t6w s ALA 9 Ca 0.22 -0.88 -0.31 0.00 0.00 0.00 0.00 51.96 50.99 1t6w s ALA 9 Cb -0.03 -0.62 -0.12 0.00 0.00 0.00 0.00 23.12 22.35 1t6w s ALA 9 CO 0.06 0.34 1.56 -0.11 0.00 0.00 0.00 175.76 177.60 1t6w n LEU 10 N 3.13 3.88 0.00 0.00 7.94 -0.57 -0.97 117.00 130.40 1t6w n LEU 10 Ca -0.18 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 1t6w n LEU 10 Cb 0.52 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.94 1t6w n LEU 10 CO 0.26 -0.05 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 1t6w n GLY 11 N 2.45 1.52 3.82 -3.96 0.00 -0.10 -4.81 105.19 104.10 1t6w n GLY 11 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.27 2.73 0.35 1.61 5.65 -0.15 -4.50 115.29 117.71 1t6w s HIS 12 Ca 0.00 -0.45 -0.06 0.00 0.25 0.00 0.00 55.06 54.80 1t6w s HIS 12 Cb 0.00 -1.95 0.08 0.00 -1.18 0.00 0.00 32.58 29.54 1t6w s HIS 12 CO 0.00 0.09 0.45 0.41 -0.65 0.00 0.00 174.74 175.05 1t6w n GLY 13 N -1.37 -1.42 0.00 1.59 0.00 -1.24 -1.00 105.19 101.74 1t6w n GLY 13 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.73 0.00 -4.03 -0.61 0.13 -0.91 -4.68 119.36 106.54 1t6w n ILE 14 Ca 0.06 0.00 -0.34 0.00 -1.10 0.00 0.00 62.75 61.37 1t6w n ILE 14 Cb 0.20 0.00 -0.15 0.00 -0.84 0.00 0.00 39.64 38.85 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 3.72 -0.65 9.51 -1.08 -1.26 -1.30 116.67 125.60 1t6w s ASP 15 Ca 0.00 -0.65 -0.27 0.00 -0.52 0.00 0.00 52.55 51.11 1t6w s ASP 15 Cb 0.00 -1.59 0.03 0.00 -1.46 0.00 0.00 42.92 39.91 1t6w s ASP 15 CO 0.00 -0.04 1.19 -0.76 0.52 0.00 0.00 175.17 176.08 1t6w s LEU 16 N 1.34 3.46 -0.16 -1.34 1.02 -0.82 -4.95 118.68 117.23 1t6w s LEU 16 Ca 0.04 -0.27 -0.24 0.00 0.02 0.00 0.00 54.13 53.68 1t6w s LEU 16 Cb -0.14 -2.81 -0.02 0.00 0.02 0.00 0.00 46.19 43.24 1t6w s LEU 16 CO -0.08 -1.61 0.76 -1.81 0.02 0.00 0.00 176.35 173.62 1t6w s ASP 17 N 3.35 6.89 -0.21 2.29 1.01 -1.26 -3.27 116.67 125.47 1t6w s ASP 17 Ca 0.37 1.09 -0.29 0.00 0.71 0.00 0.00 52.55 54.43 1t6w s ASP 17 Cb -0.09 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1t6w s ASP 17 CO 0.19 -0.32 1.11 -0.63 0.21 0.00 0.00 175.17 175.74 1t6w s ILE 18 N 1.85 4.54 0.19 0.77 1.01 -1.26 -4.77 121.20 123.54 1t6w s ILE 18 Ca 0.36 1.86 -0.33 0.00 0.00 0.00 0.00 60.65 62.55 1t6w s ILE 18 Cb -0.17 -4.21 -0.13 0.00 0.01 0.00 0.00 42.46 37.97 1t6w s ILE 18 CO 0.13 -0.17 1.67 -2.65 0.00 0.00 0.00 174.94 173.92 1t6w n PRO 19 N 6.43 2.56 -3.87 2.79 -0.02 -1.26 -3.48 135.00 138.15 1t6w n PRO 19 Ca 0.13 0.92 -0.34 0.00 -2.02 0.00 0.00 63.50 62.19 1t6w n PRO 19 Cb 0.46 -2.74 0.01 0.00 -0.02 0.00 0.00 33.50 31.21 1t6w n PRO 19 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1t6w n ASN 20 N 3.73 -4.75 -3.95 2.55 5.03 -1.26 -4.99 115.26 111.61 1t6w n ASN 20 Ca 0.16 -1.08 -0.10 0.00 0.87 0.00 0.00 54.58 54.44 1t6w n ASN 20 Cb 0.33 -2.03 -0.11 0.00 -1.02 0.00 0.00 39.78 36.94 1t6w n ASN 20 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1t6w s PHE 21 N -3.27 0.20 -0.08 3.10 5.36 -1.23 -5.04 117.98 117.02 1t6w s PHE 21 Ca 0.27 -0.42 -0.03 0.00 -0.96 0.00 0.00 56.93 55.79 1t6w s PHE 21 Cb -0.14 -0.15 0.04 0.00 -0.34 0.00 0.00 43.02 42.43 1t6w s PHE 21 CO 0.92 -0.19 0.06 -0.65 -1.46 0.00 0.00 175.22 173.90 1t6w s GLN 22 N -1.30 0.04 -1.26 10.12 1.11 -1.26 -5.00 119.66 122.11 1t6w s GLN 22 Ca -0.14 0.21 -0.18 0.00 0.01 0.00 0.00 55.36 55.26 1t6w s GLN 22 Cb -0.09 -0.94 0.08 0.00 -1.01 0.00 0.00 33.01 31.06 1t6w s GLN 22 CO -0.01 -0.42 1.66 1.41 0.01 0.00 0.00 175.29 177.95 1t6w s MET 23 N 2.13 3.96 0.25 2.91 1.75 -1.15 -4.73 119.30 124.43 1t6w s MET 23 Ca 0.04 -1.98 0.01 0.00 -1.25 0.00 0.00 55.69 52.51 1t6w s MET 23 Cb -0.13 -5.45 0.01 0.00 2.84 0.00 0.00 34.83 32.10 1t6w s MET 23 CO -0.05 -2.19 0.12 0.25 -0.65 0.00 0.00 175.02 172.51 1t6w n THR 24 N 6.21 0.00 0.07 10.11 -2.24 -1.26 -4.87 114.28 122.29 1t6w n THR 24 Ca 0.46 -1.06 0.14 0.00 -2.27 0.00 0.00 64.05 61.32 1t6w n THR 24 Cb 0.46 -0.10 0.63 0.00 -2.10 0.00 0.00 70.33 69.23 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 0.40 0.08 0.24 3.42 5.19 -2.03 0.73 116.42 124.45 1t6w h ASP 25 Ca -0.18 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.20 1t6w h ASP 25 Cb 0.60 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.09 1t6w h ASP 25 CO 0.28 0.05 -0.16 -0.78 -3.12 0.00 0.00 179.24 175.51 1t6w h ASP 26 N 0.09 0.00 -3.35 6.45 3.58 -1.94 -3.42 116.42 117.83 1t6w h ASP 26 Ca 0.18 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 57.07 1t6w h ASP 26 Cb 0.58 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.58 1t6w h ASP 26 CO -0.02 0.16 0.29 -0.63 -2.88 0.00 0.00 179.24 176.16 1t6w s ILE 27 N -4.46 4.93 -0.11 2.25 -1.09 0.25 -2.82 121.20 120.15 1t6w s ILE 27 Ca -0.04 1.71 -0.02 0.00 -2.23 0.00 0.00 60.65 60.08 1t6w s ILE 27 Cb 0.15 -4.16 -0.06 0.00 -1.58 0.00 0.00 42.46 36.80 1t6w s ILE 27 CO 0.65 0.15 -0.12 -0.67 -1.23 0.00 0.00 174.94 173.72 1t6w n ASP 28 N 4.31 2.21 -4.13 3.58 2.03 -0.35 -4.78 116.55 119.42 1t6w n ASP 28 Ca 0.03 0.02 -0.26 0.00 0.52 0.00 0.00 54.79 55.10 1t6w n ASP 28 Cb 0.50 -0.24 -0.16 0.00 -0.72 0.00 0.00 41.12 40.50 1t6w n ASP 28 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1t6w s GLU 29 N -2.21 1.84 -0.21 -0.67 2.56 -1.05 -0.63 118.70 118.32 1t6w s GLU 29 Ca -0.15 -0.61 -0.03 0.00 0.00 0.00 0.00 54.97 54.18 1t6w s GLU 29 Cb 0.05 -1.58 0.07 0.00 2.00 0.00 0.00 34.13 34.67 1t6w s GLU 29 CO 0.23 0.22 0.06 0.08 -0.56 0.00 0.00 175.26 175.29 1t6w s VAL 30 N 0.11 0.44 -0.16 3.70 1.01 -0.03 -0.09 120.40 125.38 1t6w s VAL 30 Ca -0.05 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 1t6w s VAL 30 Cb -0.12 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1t6w s VAL 30 CO 0.03 -0.32 0.03 -0.13 0.00 0.00 0.00 175.10 174.71 1t6w s ARG 31 N 1.89 3.73 -0.86 2.72 0.52 -1.13 -0.73 118.95 125.08 1t6w s ARG 31 Ca 0.01 -0.38 -0.04 0.00 -0.52 0.00 0.00 55.73 54.81 1t6w s ARG 31 Cb -0.17 -3.08 0.22 0.00 0.52 0.00 0.00 34.95 32.43 1t6w s ARG 31 CO -0.13 0.36 0.75 -1.58 0.02 0.00 0.00 175.30 174.73 1t6w s TRP 32 N 0.10 3.84 0.22 -0.53 0.52 0.87 -2.00 118.94 121.95 1t6w s TRP 32 Ca 0.04 -2.86 0.03 0.00 0.02 0.00 0.00 56.10 53.32 1t6w s TRP 32 Cb -0.13 -3.34 -0.03 0.00 -1.15 0.00 0.00 33.47 28.82 1t6w s TRP 32 CO 0.01 -0.80 0.36 -1.21 0.02 0.00 0.00 176.95 175.33 1t6w s GLU 33 N -1.00 3.45 -0.20 4.98 2.02 -0.25 -1.57 118.70 126.12 1t6w s GLU 33 Ca 0.25 -0.63 -0.04 0.00 0.02 0.00 0.00 54.97 54.57 1t6w s GLU 33 Cb -0.10 -2.89 0.10 0.00 0.10 0.00 0.00 34.13 31.35 1t6w s GLU 33 CO -0.10 0.43 0.33 0.50 0.02 0.00 0.00 175.26 176.44 1t6w s ARG 34 N -3.72 0.27 6.84 1.61 3.52 -0.74 -0.52 118.95 126.20 1t6w s ARG 34 Ca 0.35 0.60 0.00 0.00 -0.13 0.00 0.00 55.73 56.55 1t6w s ARG 34 Cb -0.10 -0.39 0.00 0.00 -1.56 0.00 0.00 34.95 32.90 1t6w s ARG 34 CO 0.29 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.69 1t6w n GLY 35 N 5.36 3.38 2.22 8.12 0.00 -1.26 -1.49 105.19 121.52 1t6w n GLY 35 Ca -0.05 0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1t6w n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t6w n SER 36 N 9.33 5.58 -3.74 1.61 3.41 -1.26 -5.01 113.62 123.53 1t6w n SER 36 Ca 0.00 -3.76 -0.10 0.00 -0.26 0.00 0.00 58.87 54.76 1t6w n SER 36 Cb 0.00 -0.53 -0.06 0.00 -0.26 0.00 0.00 64.21 63.36 1t6w n SER 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1t6w s THR 37 N -4.85 0.10 0.05 6.66 2.01 -0.55 -5.17 115.64 113.89 1t6w s THR 37 Ca 0.53 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.69 1t6w s THR 37 Cb 0.43 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 1t6w s THR 37 CO -0.04 -0.45 0.04 -0.76 -0.69 0.00 0.00 174.62 172.72 1t6w s LEU 38 N -2.84 3.65 -0.01 4.42 1.43 -1.26 -1.79 118.68 122.28 1t6w s LEU 38 Ca 0.05 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1t6w s LEU 38 Cb 0.03 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 1t6w s LEU 38 CO -0.11 0.22 -0.01 0.52 0.23 0.00 0.00 176.35 177.19 1t6w n VAL 39 N 0.84 0.07 -3.28 -1.59 0.31 -0.61 -4.56 118.33 109.52 1t6w n VAL 39 Ca -0.11 -0.02 0.03 0.00 -0.01 0.00 0.00 64.34 64.22 1t6w n VAL 39 Cb 0.52 -0.91 -0.02 0.00 -0.91 0.00 0.00 33.84 32.52 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 -2.03 -2.55 -0.24 3.52 0.00 -1.15 -1.25 121.76 118.07 1t6w s ALA 40 Ca -0.02 1.88 0.01 0.00 0.00 0.00 0.00 51.96 53.83 1t6w s ALA 40 Cb 0.01 -2.15 0.04 0.00 0.00 0.00 0.00 23.12 21.01 1t6w s ALA 40 CO 0.03 -1.23 -0.11 -1.21 0.00 0.00 0.00 175.76 173.23 1t6w s GLU 41 N 2.83 2.57 -0.25 0.00 2.02 -0.89 -0.09 118.70 124.89 1t6w s GLU 41 Ca 0.08 -1.13 -0.09 0.00 0.02 0.00 0.00 54.97 53.85 1t6w s GLU 41 Cb -0.12 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 1t6w s GLU 41 CO -0.18 -0.45 0.11 0.12 0.02 0.00 0.00 175.26 174.88 1t6w s PHE 42 N 1.21 3.15 -0.08 1.61 2.19 0.09 -1.67 117.98 124.48 1t6w s PHE 42 Ca -0.03 -0.19 0.05 0.00 0.33 0.00 0.00 56.93 57.09 1t6w s PHE 42 Cb -0.18 -2.27 -0.01 0.00 -1.31 0.00 0.00 43.02 39.26 1t6w s PHE 42 CO -0.07 -0.24 -0.24 0.21 1.83 0.00 0.00 175.22 176.71 1t6w s LYS 43 N 1.54 2.79 0.56 10.12 2.20 -1.26 -0.85 119.74 134.84 1t6w s LYS 43 Ca 0.06 -0.89 0.34 0.00 -0.36 0.00 0.00 55.97 55.13 1t6w s LYS 43 Cb -0.15 -2.22 1.47 0.00 -1.51 0.00 0.00 37.83 35.41 1t6w s LYS 43 CO 0.06 0.28 1.75 -0.09 -0.36 0.00 0.00 175.35 176.99 1t6w h ARG 44 N 6.38 0.00 -1.89 4.03 9.65 -1.24 0.12 114.38 131.44 1t6w h ARG 44 Ca -0.25 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.50 1t6w h ARG 44 Cb 1.21 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.74 1t6w h ARG 44 CO 0.47 0.00 0.06 1.17 2.80 0.00 0.00 179.97 184.47 1t6w n LYS 45 N -3.94 1.40 0.00 0.20 4.81 -1.26 -4.98 118.16 114.39 1t6w n LYS 45 Ca 0.22 -0.62 0.00 0.00 -0.87 0.00 0.00 58.31 57.04 1t6w n LYS 45 Cb 1.19 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 34.90 1t6w n LYS 45 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1t6w n MET 46 N 1.34 0.00 -3.27 1.64 0.00 0.03 -4.90 117.12 111.96 1t6w n MET 46 Ca 0.15 0.00 -0.08 0.00 -0.00 0.00 0.00 57.70 57.78 1t6w n MET 46 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.80 1t6w n MET 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1t6w n LYS 47 N -0.08 -1.40 -2.06 2.12 4.76 -1.26 -4.55 118.16 115.69 1t6w n LYS 47 Ca 0.00 1.26 -0.28 0.00 -2.87 0.00 0.00 58.31 56.42 1t6w n LYS 47 Cb 0.00 -4.83 0.15 0.00 -1.84 0.00 0.00 35.03 28.51 1t6w n LYS 47 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1t6w s PRO 48 N -3.62 1.07 -0.33 1.97 0.05 -1.26 -4.79 135.00 128.09 1t6w s PRO 48 Ca 0.03 -0.47 0.02 0.00 0.05 0.00 0.00 61.00 60.63 1t6w s PRO 48 Cb -0.01 -1.97 0.10 0.00 0.05 0.00 0.00 34.50 32.68 1t6w s PRO 48 CO 0.79 -2.08 0.07 0.12 0.05 0.00 0.00 177.00 175.96 1t6w s PHE 49 N -3.68 2.84 -0.49 0.56 5.36 -0.67 -4.97 117.98 116.93 1t6w s PHE 49 Ca 0.70 -2.45 -0.18 0.00 -0.96 0.00 0.00 56.93 54.05 1t6w s PHE 49 Cb -0.05 -2.39 0.06 0.00 -0.34 0.00 0.00 43.02 40.30 1t6w s PHE 49 CO 0.50 -0.92 0.54 -0.51 -1.46 0.00 0.00 175.22 173.38 1t6w s LEU 50 N 1.21 5.17 0.15 6.12 1.43 -1.26 -2.08 118.68 129.41 1t6w s LEU 50 Ca 0.11 -1.03 -0.31 0.00 -1.03 0.00 0.00 54.13 51.87 1t6w s LEU 50 Cb -0.18 -2.36 -0.06 0.00 0.03 0.00 0.00 46.19 43.62 1t6w s LEU 50 CO -0.16 -0.79 1.55 0.50 0.23 0.00 0.00 176.35 177.68 1t6w h LYS 51 N 8.90 -0.24 -4.02 1.70 3.64 -1.42 -3.44 116.57 121.69 1t6w h LYS 51 Ca -0.28 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.00 1t6w h LYS 51 Cb 1.10 0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 32.84 1t6w h LYS 51 CO 0.93 -0.16 -0.46 -1.54 -2.27 0.00 0.00 179.45 175.95 1t6w s SER 52 N -5.21 0.19 0.00 4.20 1.04 -1.26 -5.02 113.70 107.64 1t6w s SER 52 Ca -0.14 -0.88 0.05 0.00 0.48 0.00 0.00 55.95 55.45 1t6w s SER 52 Cb 0.10 0.34 0.21 0.00 0.10 0.00 0.00 66.02 66.77 1t6w s SER 52 CO 0.63 -0.76 1.07 0.61 0.98 0.00 0.00 173.24 175.77 1t6w n GLY 53 N -0.09 -0.56 0.00 7.32 0.00 -1.26 -2.08 105.19 108.51 1t6w n GLY 53 Ca -0.11 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.41 2.53 -2.41 4.61 0.00 -1.26 -4.80 120.51 117.77 1t6w n ALA 54 Ca 0.02 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 1t6w n ALA 54 Cb 0.05 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.07 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 1.79 -0.22 0.00 0.08 -0.89 -1.50 117.98 115.25 1t6w s PHE 55 Ca 0.29 -0.50 -0.10 0.00 0.12 0.00 0.00 56.93 56.74 1t6w s PHE 55 Cb 0.13 -0.86 0.09 0.00 -0.57 0.00 0.00 43.02 41.81 1t6w s PHE 55 CO 0.22 0.36 0.50 -2.00 -0.10 0.00 0.00 175.22 174.20 1t6w s GLU 56 N -3.17 0.45 -0.55 0.44 2.12 -0.17 -4.96 118.70 112.87 1t6w s GLU 56 Ca 0.19 1.06 -0.26 0.00 0.36 0.00 0.00 54.97 56.32 1t6w s GLU 56 Cb -0.04 0.28 0.03 0.00 0.26 0.00 0.00 34.13 34.67 1t6w s GLU 56 CO 0.07 -0.20 1.04 -1.50 -0.54 0.00 0.00 175.26 174.14 1t6w s ILE 57 N 2.14 4.25 1.17 -3.70 2.07 -1.26 -0.74 121.20 125.12 1t6w s ILE 57 Ca -0.06 0.62 -0.16 0.00 -1.41 0.00 0.00 60.65 59.64 1t6w s ILE 57 Cb -0.10 -4.60 0.27 0.00 0.13 0.00 0.00 42.46 38.16 1t6w s ILE 57 CO -0.15 -1.16 1.05 -0.76 -1.91 0.00 0.00 174.94 172.01 1t6w s LEU 58 N 4.33 0.68 0.05 8.50 1.02 -0.85 -4.94 118.68 127.46 1t6w s LEU 58 Ca 0.37 1.11 -0.19 0.00 0.02 0.00 0.00 54.13 55.44 1t6w s LEU 58 Cb -0.10 -2.98 -0.15 0.00 0.02 0.00 0.00 46.19 42.98 1t6w s LEU 58 CO 0.23 -4.07 1.30 0.00 0.02 0.00 0.00 176.35 173.83 1t6w h ALA 59 N -2.54 0.24 -0.14 4.21 0.00 -1.96 -3.05 119.26 116.03 1t6w h ALA 59 Ca -0.54 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.01 1t6w h ALA 59 Cb 1.33 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1t6w h ALA 59 CO 0.47 0.25 0.16 -2.95 0.00 0.00 0.00 179.25 177.18 1t6w h ASN 60 N 0.08 0.00 0.00 0.00 7.08 -1.93 -3.45 115.58 117.36 1t6w h ASN 60 Ca 0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 1t6w h ASN 60 Cb 0.87 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.11 1t6w h ASN 60 CO 0.06 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.02 1t6w n GLY 61 N -1.37 1.66 3.60 9.14 0.00 -1.15 -2.93 105.19 114.13 1t6w n GLY 61 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 4.40 -0.20 1.61 1.01 -1.26 -4.79 116.67 115.44 1t6w s ASP 62 Ca 0.00 -0.53 -0.25 0.00 0.71 0.00 0.00 52.55 52.48 1t6w s ASP 62 Cb 0.00 -0.80 -0.01 0.00 1.01 0.00 0.00 42.92 43.12 1t6w s ASP 62 CO 0.00 0.10 0.84 -0.22 0.21 0.00 0.00 175.17 176.10 1t6w s LEU 63 N -2.88 4.13 -0.37 1.23 2.96 -1.20 -2.01 118.68 120.54 1t6w s LEU 63 Ca 0.26 1.13 -0.12 0.00 -0.22 0.00 0.00 54.13 55.18 1t6w s LEU 63 Cb -0.09 -3.23 0.02 0.00 0.50 0.00 0.00 46.19 43.39 1t6w s LEU 63 CO 0.16 -0.46 0.22 -0.75 -1.32 0.00 0.00 176.35 174.21 1t6w s LYS 64 N 2.47 2.99 -0.25 1.98 2.36 0.08 -1.94 119.74 127.43 1t6w s LYS 64 Ca 0.37 -0.98 -0.13 0.00 -2.55 0.00 0.00 55.97 52.68 1t6w s LYS 64 Cb -0.16 -3.77 -0.04 0.00 -1.05 0.00 0.00 37.83 32.80 1t6w s LYS 64 CO 0.10 -0.65 0.30 0.42 1.55 0.00 0.00 175.35 177.06 1t6w s ILE 65 N 1.61 5.25 -0.06 5.43 1.01 -0.42 -1.00 121.20 133.02 1t6w s ILE 65 Ca 0.03 0.44 0.05 0.00 0.00 0.00 0.00 60.65 61.17 1t6w s ILE 65 Cb -0.19 -3.63 -0.24 0.00 0.01 0.00 0.00 42.46 38.41 1t6w s ILE 65 CO 0.08 0.24 0.61 0.07 0.00 0.00 0.00 174.94 175.94 1t6w h LYS 66 N 7.83 0.11 -2.84 2.79 2.10 -1.55 -2.41 116.57 122.60 1t6w h LYS 66 Ca -0.35 -0.19 -0.47 0.00 -2.00 0.00 0.00 60.65 57.64 1t6w h LYS 66 Cb 1.17 0.07 -0.40 0.00 -0.90 0.00 0.00 32.23 32.17 1t6w h LYS 66 CO 0.65 0.80 -0.75 1.21 -2.00 0.00 0.00 179.45 179.36 1t6w s ASN 67 N -6.50 2.78 0.73 7.07 3.84 -1.26 -3.71 114.94 117.90 1t6w s ASN 67 Ca -0.10 -0.90 -0.15 0.00 0.21 0.00 0.00 52.86 51.91 1t6w s ASN 67 Cb 0.07 -0.20 0.04 0.00 -0.55 0.00 0.00 41.25 40.61 1t6w s ASN 67 CO 0.81 -0.39 1.20 -0.76 -2.79 0.00 0.00 177.10 175.17 1t6w s LEU 68 N 2.15 3.30 0.08 3.21 1.43 -0.17 -4.66 118.68 124.02 1t6w s LEU 68 Ca 0.06 2.32 -0.16 0.00 -1.03 0.00 0.00 54.13 55.32 1t6w s LEU 68 Cb -0.16 -4.58 0.03 0.00 0.03 0.00 0.00 46.19 41.51 1t6w s LEU 68 CO -0.24 -2.24 0.37 0.42 0.23 0.00 0.00 176.35 174.90 1t6w s THR 69 N -2.04 0.07 0.14 5.49 -4.23 -1.26 -0.93 115.64 112.88 1t6w s THR 69 Ca 0.73 -0.59 -0.27 0.00 -1.18 0.00 0.00 61.69 60.38 1t6w s THR 69 Cb -0.28 -1.06 -0.02 0.00 1.34 0.00 0.00 72.50 72.48 1t6w s THR 69 CO 0.45 -0.33 1.59 0.08 -0.54 0.00 0.00 174.62 175.88 1t6w h ARG 70 N 2.79 -0.40 -0.34 3.99 0.11 -1.95 0.20 114.38 118.78 1t6w h ARG 70 Ca -0.32 0.03 0.10 0.00 0.10 0.00 0.00 59.98 59.88 1t6w h ARG 70 Cb 1.22 0.09 -0.01 0.00 1.11 0.00 0.00 29.97 32.38 1t6w h ARG 70 CO 0.46 -0.27 0.44 0.22 0.10 0.00 0.00 179.97 180.93 1t6w h ASP 71 N -0.41 0.00 1.15 0.08 3.58 -2.00 0.79 116.42 119.60 1t6w h ASP 71 Ca 0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1t6w h ASP 71 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1t6w h ASP 71 CO -0.41 0.00 -0.38 0.44 -2.88 0.00 0.00 179.24 176.00 1t6w h ASP 72 N 0.00 0.00 -3.21 2.28 5.19 -1.04 -3.45 116.42 116.19 1t6w h ASP 72 Ca 0.16 -0.12 -0.55 0.00 -0.62 0.00 0.00 57.03 55.90 1t6w h ASP 72 Cb 1.05 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.53 1t6w h ASP 72 CO -0.00 0.06 0.59 -0.94 -3.12 0.00 0.00 179.24 175.83 1t6w s SER 73 N -4.49 7.17 0.00 6.45 1.04 0.27 -4.80 113.70 119.35 1t6w s SER 73 Ca 0.08 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.19 1t6w s SER 73 Cb 0.12 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1t6w s SER 73 CO 0.68 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 175.03 1t6w n GLY 74 N 3.18 -0.21 3.08 7.32 0.00 -0.34 -4.96 105.19 113.26 1t6w n GLY 74 Ca 0.09 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.43 1.42 0.03 2.61 2.01 -1.26 0.17 115.64 120.19 1t6w s THR 75 Ca 0.00 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 1t6w s THR 75 Cb 0.00 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1t6w s THR 75 CO 0.00 0.42 0.21 -0.31 -0.69 0.00 0.00 174.62 174.24 1t6w s TYR 76 N 0.64 3.53 -0.10 4.92 1.51 0.54 -4.56 117.35 123.84 1t6w s TYR 76 Ca -0.14 0.31 0.00 0.00 -1.01 0.00 0.00 57.07 56.22 1t6w s TYR 76 Cb -0.16 -1.80 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1t6w s TYR 76 CO 0.04 0.61 -0.08 -0.80 -1.11 0.00 0.00 175.55 174.21 1t6w s ASN 77 N -2.27 2.01 -0.15 2.29 0.01 0.32 -1.09 114.94 116.06 1t6w s ASN 77 Ca 0.32 -0.28 -0.03 0.00 -0.71 0.00 0.00 52.86 52.16 1t6w s ASN 77 Cb -0.13 -0.79 -0.03 0.00 0.41 0.00 0.00 41.25 40.71 1t6w s ASN 77 CO 0.24 -0.09 -0.05 -0.69 -1.51 0.00 0.00 177.10 175.00 1t6w s VAL 78 N 1.50 3.81 -0.40 1.60 1.01 0.75 -1.09 120.40 127.58 1t6w s VAL 78 Ca 0.01 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1t6w s VAL 78 Cb -0.13 -2.66 0.11 0.00 0.00 0.00 0.00 36.38 33.70 1t6w s VAL 78 CO -0.06 0.50 0.12 -0.89 0.00 0.00 0.00 175.10 174.78 1t6w s THR 79 N 0.29 2.39 0.01 3.92 2.01 -0.85 -1.22 115.64 122.19 1t6w s THR 79 Ca -0.04 -2.67 -0.23 0.00 0.31 0.00 0.00 61.69 59.06 1t6w s THR 79 Cb -0.14 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 1t6w s THR 79 CO 0.03 -0.67 0.69 -0.69 -0.69 0.00 0.00 174.62 173.30 1t6w s VAL 80 N 0.51 4.84 0.16 3.82 1.01 0.14 -2.84 120.40 128.04 1t6w s VAL 80 Ca 0.13 1.46 0.07 0.00 0.00 0.00 0.00 61.98 63.64 1t6w s VAL 80 Cb -0.21 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1t6w s VAL 80 CO -0.05 0.37 -0.15 -0.31 0.00 0.00 0.00 175.10 174.95 1t6w s TYR 81 N 0.01 1.61 0.71 5.22 2.02 0.88 -1.83 117.35 125.97 1t6w s TYR 81 Ca 0.36 -0.55 -0.03 0.00 -0.37 0.00 0.00 57.07 56.48 1t6w s TYR 81 Cb -0.19 -0.80 0.10 0.00 -0.40 0.00 0.00 41.96 40.67 1t6w s TYR 81 CO 0.20 0.26 0.98 -1.54 -1.57 0.00 0.00 175.55 173.88 1t6w s SER 82 N -2.81 4.49 0.58 2.29 1.04 -0.20 -1.21 113.70 117.88 1t6w s SER 82 Ca 0.15 -0.10 0.30 0.00 0.48 0.00 0.00 55.95 56.78 1t6w s SER 82 Cb -0.03 -0.39 1.75 0.00 0.10 0.00 0.00 66.02 67.45 1t6w s SER 82 CO 0.05 -1.76 2.21 0.71 0.98 0.00 0.00 173.24 175.44 1t6w h THR 83 N -0.52 0.52 -0.70 2.02 1.35 -1.84 -1.21 112.91 112.52 1t6w h THR 83 Ca -0.40 -0.14 -0.29 0.00 -0.55 0.00 0.00 66.41 65.03 1t6w h THR 83 Cb 1.28 1.09 -0.18 0.00 -1.73 0.00 0.00 68.15 68.61 1t6w h THR 83 CO 0.46 0.03 0.37 0.59 -0.25 0.00 0.00 175.52 176.72 1t6w n ASN 84 N -3.76 3.95 -1.82 5.36 3.02 -1.26 -4.87 115.26 115.87 1t6w n ASN 84 Ca -0.03 -3.13 -0.16 0.00 -0.03 0.00 0.00 54.58 51.23 1t6w n ASN 84 Cb 0.12 -0.74 -0.05 0.00 -0.61 0.00 0.00 39.78 38.51 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 -0.43 0.82 3.90 7.41 0.00 -0.46 -4.95 105.19 111.49 1t6w n GLY 85 Ca 0.40 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.55 4.94 -0.27 2.61 2.01 -1.26 -4.82 115.64 116.30 1t6w s THR 86 Ca 0.00 0.20 -0.28 0.00 0.31 0.00 0.00 61.69 61.92 1t6w s THR 86 Cb 0.00 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.75 1t6w s THR 86 CO 0.00 -0.51 1.03 -0.13 -0.69 0.00 0.00 174.62 174.32 1t6w s ARG 87 N -3.96 4.16 -0.04 4.92 3.00 -1.26 -1.03 118.95 124.73 1t6w s ARG 87 Ca 0.46 1.19 -0.05 0.00 0.00 0.00 0.00 55.73 57.33 1t6w s ARG 87 Cb -0.10 -3.68 -0.02 0.00 0.00 0.00 0.00 34.95 31.15 1t6w s ARG 87 CO 0.34 -0.74 -0.09 -0.89 0.00 0.00 0.00 175.30 173.92 1t6w n ILE 88 N 5.55 0.43 -4.12 1.52 5.41 -0.76 -4.92 119.36 122.47 1t6w n ILE 88 Ca 0.11 0.37 -0.15 0.00 1.00 0.00 0.00 62.75 64.08 1t6w n ILE 88 Cb 0.47 -1.69 -0.12 0.00 -0.71 0.00 0.00 39.64 37.59 1t6w n ILE 88 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1t6w s LEU 89 N -5.82 2.23 -0.20 1.39 0.20 -1.08 -5.01 118.68 110.40 1t6w s LEU 89 Ca -0.08 -0.52 -0.04 0.00 0.69 0.00 0.00 54.13 54.18 1t6w s LEU 89 Cb 0.01 -0.30 0.08 0.00 -0.43 0.00 0.00 46.19 45.55 1t6w s LEU 89 CO 0.11 -0.13 0.16 0.21 -0.29 0.00 0.00 176.35 176.41 1t6w s ASN 90 N -1.46 1.92 0.16 3.68 3.04 -1.26 0.28 114.94 121.30 1t6w s ASN 90 Ca -0.06 -0.46 0.10 0.00 0.04 0.00 0.00 52.86 52.47 1t6w s ASN 90 Cb -0.09 0.08 -0.04 0.00 -1.54 0.00 0.00 41.25 39.65 1t6w s ASN 90 CO 0.01 -0.34 -0.22 -0.54 -3.04 0.00 0.00 177.10 172.96 1t6w s LYS 91 N 2.23 1.36 -0.03 0.43 -0.14 -0.36 -4.98 119.74 118.25 1t6w s LYS 91 Ca 0.05 -1.40 -0.01 0.00 -1.36 0.00 0.00 55.97 53.24 1t6w s LYS 91 Cb -0.16 -1.60 0.03 0.00 -1.68 0.00 0.00 37.83 34.42 1t6w s LYS 91 CO -0.13 0.35 0.05 0.00 -0.76 0.00 0.00 175.35 174.86 1t6w s ALA 92 N -1.64 0.20 0.32 5.17 0.00 -1.26 -0.18 121.76 124.37 1t6w s ALA 92 Ca 0.16 0.22 0.08 0.00 0.00 0.00 0.00 51.96 52.41 1t6w s ALA 92 Cb -0.08 -0.51 -0.06 0.00 0.00 0.00 0.00 23.12 22.46 1t6w s ALA 92 CO 0.07 -0.38 -0.07 -0.51 0.00 0.00 0.00 175.76 174.88 1t6w s LEU 93 N 1.84 2.61 -0.27 0.00 1.02 -0.25 -4.85 118.68 118.78 1t6w s LEU 93 Ca 0.01 -1.21 0.01 0.00 0.02 0.00 0.00 54.13 52.96 1t6w s LEU 93 Cb -0.12 -0.81 0.07 0.00 0.02 0.00 0.00 46.19 45.35 1t6w s LEU 93 CO -0.03 -0.29 -0.01 -1.81 0.02 0.00 0.00 176.35 174.23 1t6w s ASP 94 N -3.54 4.10 -0.34 2.29 1.11 -1.26 -0.34 116.67 118.70 1t6w s ASP 94 Ca 0.31 -1.47 -0.12 0.00 0.18 0.00 0.00 52.55 51.46 1t6w s ASP 94 Cb 0.04 -1.24 -0.01 0.00 1.07 0.00 0.00 42.92 42.77 1t6w s ASP 94 CO 0.14 -0.29 0.22 -0.22 1.18 0.00 0.00 175.17 176.21 1t6w s LEU 95 N 1.31 4.48 -0.45 1.23 0.20 0.13 0.50 118.68 126.08 1t6w s LEU 95 Ca -0.00 -0.50 -0.17 0.00 0.69 0.00 0.00 54.13 54.15 1t6w s LEU 95 Cb -0.19 -2.10 0.04 0.00 -0.43 0.00 0.00 46.19 43.51 1t6w s LEU 95 CO -0.10 -0.25 0.47 -0.13 -0.29 0.00 0.00 176.35 176.05 1t6w s ARG 96 N 1.69 3.08 -0.46 1.98 1.81 -0.66 -1.20 118.95 125.19 1t6w s ARG 96 Ca 0.05 -0.88 -0.21 0.00 -1.72 0.00 0.00 55.73 52.97 1t6w s ARG 96 Cb -0.17 -4.02 0.03 0.00 -0.45 0.00 0.00 34.95 30.34 1t6w s ARG 96 CO 0.09 -0.95 0.70 0.42 -0.68 0.00 0.00 175.30 174.88 1t6w s ILE 97 N 2.15 4.75 -0.05 1.52 1.01 -1.26 -0.76 121.20 128.57 1t6w s ILE 97 Ca 0.11 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 1t6w s ILE 97 Cb -0.19 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 37.95 1t6w s ILE 97 CO 0.12 -0.71 1.65 -0.76 0.00 0.00 0.00 174.94 175.24 1t6w s LEU 98 N 3.01 4.32 0.00 2.97 1.43 0.12 -4.67 118.68 125.86 1t6w s LEU 98 Ca 0.24 2.25 0.27 0.00 -1.03 0.00 0.00 54.13 55.86 1t6w s LEU 98 Cb -0.14 -3.54 0.90 0.00 0.03 0.00 0.00 46.19 43.44 1t6w s LEU 98 CO 0.19 -0.92 1.66 -0.62 0.23 0.00 0.00 176.35 176.89