#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6w s ASP 2 N 0.00 4.25 -0.01 0.55 1.11 -1.26 -4.80 116.67 116.52 1t6w s ASP 2 Ca 0.00 0.12 -0.01 0.00 0.18 0.00 0.00 52.55 52.83 1t6w s ASP 2 Cb 0.00 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.44 1t6w s ASP 2 CO 0.00 -3.46 0.31 0.28 1.18 0.00 0.00 175.17 173.48 1t6w h SER 3 N 13.75 -0.03 -4.63 0.27 0.02 -1.98 -3.48 113.55 117.46 1t6w h SER 3 Ca -0.04 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.69 1t6w h SER 3 Cb 1.05 0.01 -0.15 0.00 0.14 0.00 0.00 62.40 63.46 1t6w h SER 3 CO 1.08 0.01 -0.69 -0.83 -1.14 0.00 0.00 176.83 175.26 1t6w s GLY 4 N -1.85 0.82 -0.00 -3.77 0.00 -1.18 -5.01 107.32 96.33 1t6w s GLY 4 Ca -0.01 -1.38 -0.07 0.00 0.00 0.00 0.00 44.72 43.26 1t6w s GLY 4 CO 0.02 -1.46 0.14 -1.59 0.00 0.00 0.00 173.10 170.21 1t6w s THR 5 N -3.65 0.07 -0.00 0.90 2.01 -1.26 0.13 115.64 113.85 1t6w s THR 5 Ca 0.14 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 1t6w s THR 5 Cb 0.05 -0.42 -0.00 0.00 0.01 0.00 0.00 72.50 72.14 1t6w s THR 5 CO -0.04 -0.34 0.01 0.54 -0.69 0.00 0.00 174.62 174.11 1t6w s VAL 6 N -1.24 0.03 -0.15 3.82 0.11 0.10 -4.86 120.40 118.21 1t6w s VAL 6 Ca -0.13 -0.25 -0.02 0.00 -2.93 0.00 0.00 61.98 58.64 1t6w s VAL 6 Cb -0.07 -0.11 -0.02 0.00 -1.53 0.00 0.00 36.38 34.65 1t6w s VAL 6 CO 0.01 -0.14 -0.07 0.26 -3.33 0.00 0.00 175.10 171.84 1t6w s TRP 7 N -0.41 2.95 0.37 1.54 0.52 -1.26 -1.47 118.94 121.17 1t6w s TRP 7 Ca -0.05 -0.43 -0.04 0.00 0.02 0.00 0.00 56.10 55.60 1t6w s TRP 7 Cb -0.03 -1.92 0.02 0.00 -1.15 0.00 0.00 33.47 30.38 1t6w s TRP 7 CO -0.00 -0.11 0.55 0.41 0.02 0.00 0.00 176.95 177.82 1t6w n GLY 8 N 3.57 1.90 3.08 0.98 0.00 -0.32 -5.00 105.19 109.39 1t6w n GLY 8 Ca -0.18 -1.56 -0.24 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.70 1.30 0.22 4.61 0.00 -1.26 0.24 121.76 124.17 1t6w s ALA 9 Ca 0.28 -0.55 -0.32 0.00 0.00 0.00 0.00 51.96 51.37 1t6w s ALA 9 Cb -0.02 -0.47 -0.13 0.00 0.00 0.00 0.00 23.12 22.51 1t6w s ALA 9 CO 0.20 0.21 1.49 -0.11 0.00 0.00 0.00 175.76 177.56 1t6w n LEU 10 N 3.30 3.31 0.00 0.00 7.94 -0.59 -0.94 117.00 130.02 1t6w n LEU 10 Ca -0.19 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 1t6w n LEU 10 Cb 0.53 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.02 1t6w n LEU 10 CO 0.25 -0.32 0.00 0.61 -1.11 0.00 0.00 177.39 176.82 1t6w n GLY 11 N 2.58 1.33 3.79 -3.96 0.00 -0.03 -4.81 105.19 104.09 1t6w n GLY 11 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.83 2.68 0.00 1.61 5.65 -0.12 -4.51 115.29 117.78 1t6w s HIS 12 Ca 0.00 -0.50 0.00 0.00 0.25 0.00 0.00 55.06 54.81 1t6w s HIS 12 Cb 0.00 -1.96 0.00 0.00 -1.18 0.00 0.00 32.58 29.44 1t6w s HIS 12 CO 0.00 0.11 0.00 0.41 -0.65 0.00 0.00 174.74 174.61 1t6w n GLY 13 N -1.33 -2.11 0.00 1.59 0.00 -1.25 -1.14 105.19 100.95 1t6w n GLY 13 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.27 0.00 -5.12 -0.61 0.13 -1.22 -4.65 119.36 105.62 1t6w n ILE 14 Ca 0.00 0.00 -0.32 0.00 -1.10 0.00 0.00 62.75 61.33 1t6w n ILE 14 Cb 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 39.64 38.64 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 3.29 -0.52 9.51 -1.08 -1.26 -1.43 116.67 125.18 1t6w s ASP 15 Ca 0.00 -0.51 -0.23 0.00 -0.52 0.00 0.00 52.55 51.30 1t6w s ASP 15 Cb 0.00 -1.44 0.04 0.00 -1.46 0.00 0.00 42.92 40.06 1t6w s ASP 15 CO 0.00 0.16 0.82 -0.76 0.52 0.00 0.00 175.17 175.92 1t6w s LEU 16 N 0.33 4.37 -0.19 -1.34 1.02 -0.69 -4.96 118.68 117.22 1t6w s LEU 16 Ca -0.17 -0.47 -0.21 0.00 0.02 0.00 0.00 54.13 53.30 1t6w s LEU 16 Cb -0.17 -2.74 -0.03 0.00 0.02 0.00 0.00 46.19 43.27 1t6w s LEU 16 CO 0.08 -1.08 0.64 -1.81 0.02 0.00 0.00 176.35 174.21 1t6w s ASP 17 N 2.67 6.71 -0.23 2.29 1.01 -1.26 -3.32 116.67 124.54 1t6w s ASP 17 Ca 0.26 0.87 -0.29 0.00 0.71 0.00 0.00 52.55 54.10 1t6w s ASP 17 Cb -0.14 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.44 1t6w s ASP 17 CO 0.18 -0.27 1.05 -0.63 0.21 0.00 0.00 175.17 175.71 1t6w s ILE 18 N 1.85 4.66 0.23 0.77 1.01 -1.26 -5.00 121.20 123.47 1t6w s ILE 18 Ca 0.30 2.01 -0.32 0.00 0.00 0.00 0.00 60.65 62.64 1t6w s ILE 18 Cb -0.16 -4.31 -0.12 0.00 0.01 0.00 0.00 42.46 37.89 1t6w s ILE 18 CO 0.11 -0.19 1.70 -2.65 0.00 0.00 0.00 174.94 173.90 1t6w n PRO 19 N 6.35 2.78 -3.82 2.79 -0.02 -1.26 -3.56 135.00 138.25 1t6w n PRO 19 Ca 0.12 1.00 -0.31 0.00 -2.02 0.00 0.00 63.50 62.29 1t6w n PRO 19 Cb 0.46 -2.83 0.01 0.00 -0.02 0.00 0.00 33.50 31.12 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 3.52 -4.89 -3.91 2.55 5.15 -1.26 -4.99 115.26 111.42 1t6w n ASN 20 Ca 0.14 -1.02 -0.10 0.00 -0.60 0.00 0.00 54.58 52.99 1t6w n ASN 20 Cb 0.35 -2.15 -0.11 0.00 -0.53 0.00 0.00 39.78 37.35 1t6w n ASN 20 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1t6w s PHE 21 N -3.23 0.12 -0.08 1.20 5.36 -1.23 -5.08 117.98 115.04 1t6w s PHE 21 Ca 0.23 -0.27 -0.03 0.00 -0.96 0.00 0.00 56.93 55.90 1t6w s PHE 21 Cb -0.11 -0.10 0.04 0.00 -0.34 0.00 0.00 43.02 42.50 1t6w s PHE 21 CO 0.91 -0.23 0.06 -0.65 -1.46 0.00 0.00 175.22 173.84 1t6w s GLN 22 N -1.32 0.06 -1.27 10.12 -0.21 -1.26 -5.01 119.66 120.77 1t6w s GLN 22 Ca -0.14 0.22 -0.18 0.00 0.02 0.00 0.00 55.36 55.27 1t6w s GLN 22 Cb -0.08 -0.91 0.07 0.00 1.00 0.00 0.00 33.01 33.09 1t6w s GLN 22 CO 0.00 -0.41 1.70 1.41 -2.12 0.00 0.00 175.29 175.88 1t6w s MET 23 N 2.13 3.95 0.23 2.91 -2.45 -1.26 -4.72 119.30 120.09 1t6w s MET 23 Ca 0.04 -1.93 0.01 0.00 -1.25 0.00 0.00 55.69 52.56 1t6w s MET 23 Cb -0.13 -5.51 0.01 0.00 1.25 0.00 0.00 34.83 30.45 1t6w s MET 23 CO -0.05 -2.24 0.06 0.25 1.05 0.00 0.00 175.02 174.09 1t6w n THR 24 N 6.40 0.00 0.04 10.11 -2.24 -1.26 -4.86 114.28 122.47 1t6w n THR 24 Ca 0.47 -1.02 0.16 0.00 -2.27 0.00 0.00 64.05 61.39 1t6w n THR 24 Cb 0.46 0.03 0.63 0.00 -2.10 0.00 0.00 70.33 69.36 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 0.45 0.09 0.13 3.42 5.19 -2.04 0.78 116.42 124.44 1t6w h ASP 25 Ca -0.17 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.22 1t6w h ASP 25 Cb 0.56 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 1t6w h ASP 25 CO 0.28 0.05 -0.09 -0.78 -3.12 0.00 0.00 179.24 175.59 1t6w h ASP 26 N 0.10 0.00 -3.37 6.45 1.82 -1.95 -3.41 116.42 116.06 1t6w h ASP 26 Ca 0.20 0.00 -0.58 0.00 -0.39 0.00 0.00 57.03 56.27 1t6w h ASP 26 Cb 0.68 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.62 1t6w h ASP 26 CO -0.02 0.09 0.08 -0.63 -1.61 0.00 0.00 179.24 177.15 1t6w s ILE 27 N -4.65 5.05 -0.09 2.25 -1.09 0.27 -2.78 121.20 120.15 1t6w s ILE 27 Ca -0.04 1.29 -0.01 0.00 -2.23 0.00 0.00 60.65 59.66 1t6w s ILE 27 Cb 0.15 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 1t6w s ILE 27 CO 0.63 0.20 -0.09 -0.67 -1.23 0.00 0.00 174.94 173.78 1t6w n ASP 28 N 4.32 2.71 -4.01 3.58 2.03 0.02 -4.77 116.55 120.43 1t6w n ASP 28 Ca -0.02 -0.01 -0.31 0.00 0.52 0.00 0.00 54.79 54.98 1t6w n ASP 28 Cb 0.51 -0.17 -0.16 0.00 -0.72 0.00 0.00 41.12 40.57 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 -2.18 2.15 -0.29 -0.67 2.12 -1.05 -1.49 118.70 117.30 1t6w s GLU 29 Ca -0.12 -0.80 -0.04 0.00 0.36 0.00 0.00 54.97 54.37 1t6w s GLU 29 Cb 0.04 -2.38 0.03 0.00 0.26 0.00 0.00 34.13 32.08 1t6w s GLU 29 CO 0.20 -0.38 0.02 0.08 -0.54 0.00 0.00 175.26 174.64 1t6w s VAL 30 N 1.40 3.33 -0.14 3.70 1.01 -0.64 -0.66 120.40 128.40 1t6w s VAL 30 Ca 0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.90 1t6w s VAL 30 Cb -0.15 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1t6w s VAL 30 CO -0.09 0.02 -0.07 -0.13 0.00 0.00 0.00 175.10 174.83 1t6w s ARG 31 N 1.36 3.51 -0.78 2.72 0.52 -1.01 0.12 118.95 125.39 1t6w s ARG 31 Ca -0.01 -0.58 -0.02 0.00 -0.52 0.00 0.00 55.73 54.60 1t6w s ARG 31 Cb -0.18 -2.79 0.19 0.00 0.52 0.00 0.00 34.95 32.69 1t6w s ARG 31 CO -0.01 0.26 0.63 -1.58 0.02 0.00 0.00 175.30 174.63 1t6w s TRP 32 N 0.28 3.68 0.13 -0.53 0.52 0.91 -1.33 118.94 122.61 1t6w s TRP 32 Ca -0.06 -2.94 0.02 0.00 0.02 0.00 0.00 56.10 53.15 1t6w s TRP 32 Cb -0.15 -3.18 -0.04 0.00 -1.15 0.00 0.00 33.47 28.95 1t6w s TRP 32 CO 0.04 -0.76 0.25 -1.21 0.02 0.00 0.00 176.95 175.29 1t6w s GLU 33 N -0.89 3.37 -0.14 4.98 2.02 -0.23 -1.62 118.70 126.19 1t6w s GLU 33 Ca 0.23 -0.60 -0.04 0.00 0.02 0.00 0.00 54.97 54.59 1t6w s GLU 33 Cb -0.12 -2.94 0.07 0.00 0.10 0.00 0.00 34.13 31.24 1t6w s GLU 33 CO -0.09 0.54 0.19 0.50 0.02 0.00 0.00 175.26 176.42 1t6w s ARG 34 N -3.05 0.10 6.89 1.61 3.00 -0.74 -0.37 118.95 126.40 1t6w s ARG 34 Ca 0.34 0.44 0.00 0.00 -1.00 0.00 0.00 55.73 55.51 1t6w s ARG 34 Cb -0.11 -0.63 0.00 0.00 0.00 0.00 0.00 34.95 34.20 1t6w s ARG 34 CO 0.28 -0.44 0.00 0.41 0.00 0.00 0.00 175.30 175.55 1t6w n GLY 35 N 5.32 3.57 2.22 8.12 0.00 -1.26 -1.52 105.19 121.65 1t6w n GLY 35 Ca -0.05 0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1t6w n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t6w n SER 36 N 9.04 5.56 -3.72 1.61 2.88 -1.26 -5.01 113.62 122.71 1t6w n SER 36 Ca 0.00 -3.76 -0.10 0.00 -1.33 0.00 0.00 58.87 53.69 1t6w n SER 36 Cb 0.00 -0.53 -0.06 0.00 -0.75 0.00 0.00 64.21 62.88 1t6w n SER 36 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1t6w s THR 37 N -4.86 0.09 0.01 2.46 2.01 -0.58 -5.17 115.64 109.61 1t6w s THR 37 Ca 0.53 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1t6w s THR 37 Cb 0.43 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 1t6w s THR 37 CO -0.04 -0.43 0.07 -0.76 -0.69 0.00 0.00 174.62 172.77 1t6w s LEU 38 N -2.83 3.84 -0.04 4.42 1.43 -1.26 -1.80 118.68 122.44 1t6w s LEU 38 Ca 0.04 0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1t6w s LEU 38 Cb 0.03 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 1t6w s LEU 38 CO -0.11 0.26 -0.04 0.52 0.23 0.00 0.00 176.35 177.21 1t6w n VAL 39 N 1.09 0.22 -3.22 -1.59 0.31 -0.64 -4.62 118.33 109.88 1t6w n VAL 39 Ca -0.12 -0.07 0.04 0.00 -0.01 0.00 0.00 64.34 64.17 1t6w n VAL 39 Cb 0.52 -0.90 -0.02 0.00 -0.91 0.00 0.00 33.84 32.53 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 -2.07 -2.70 -0.20 3.52 0.00 -1.13 -1.32 121.76 117.86 1t6w s ALA 40 Ca -0.05 1.77 0.01 0.00 0.00 0.00 0.00 51.96 53.69 1t6w s ALA 40 Cb 0.02 -2.24 0.03 0.00 0.00 0.00 0.00 23.12 20.93 1t6w s ALA 40 CO 0.08 -1.30 -0.16 -1.21 0.00 0.00 0.00 175.76 173.17 1t6w s GLU 41 N 2.85 2.66 0.03 0.00 2.02 -0.65 -0.06 118.70 125.55 1t6w s GLU 41 Ca 0.09 -0.94 0.01 0.00 0.02 0.00 0.00 54.97 54.15 1t6w s GLU 41 Cb -0.12 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 1t6w s GLU 41 CO -0.17 -0.32 0.09 0.12 0.02 0.00 0.00 175.26 175.00 1t6w s PHE 42 N 1.27 3.28 -0.10 1.61 2.19 0.12 -0.07 117.98 126.27 1t6w s PHE 42 Ca 0.01 0.17 -0.07 0.00 0.33 0.00 0.00 56.93 57.37 1t6w s PHE 42 Cb -0.15 -1.70 0.03 0.00 -1.31 0.00 0.00 43.02 39.89 1t6w s PHE 42 CO -0.10 0.55 0.25 0.15 1.83 0.00 0.00 175.22 177.89 1t6w s LYS 43 N -2.01 0.26 0.00 10.12 -0.14 -1.26 -1.62 119.74 125.09 1t6w s LYS 43 Ca 0.26 0.42 0.00 0.00 -1.36 0.00 0.00 55.97 55.29 1t6w s LYS 43 Cb -0.12 0.04 0.00 0.00 -1.68 0.00 0.00 37.83 36.07 1t6w s LYS 43 CO 0.18 -0.09 0.05 -2.13 -0.76 0.00 0.00 175.35 172.60 1t6w n ARG 44 N 3.46 0.00 -1.05 1.68 3.00 -0.56 -3.20 116.66 119.99 1t6w n ARG 44 Ca -0.18 0.02 -0.14 0.00 -0.00 0.00 0.00 57.85 57.55 1t6w n ARG 44 Cb 0.56 -0.55 -0.12 0.00 0.00 0.00 0.00 32.46 32.35 1t6w n ARG 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1t6w n LYS 45 N -0.07 1.98 -3.57 -0.14 4.76 -1.26 -4.79 118.16 115.07 1t6w n LYS 45 Ca 0.00 -1.20 -0.15 0.00 -2.87 0.00 0.00 58.31 54.09 1t6w n LYS 45 Cb 0.00 -1.92 -0.06 0.00 -1.84 0.00 0.00 35.03 31.21 1t6w n LYS 45 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1t6w s MET 46 N 0.23 0.85 0.28 1.97 -1.94 -1.20 -5.15 119.30 114.35 1t6w s MET 46 Ca 0.57 0.44 -0.29 0.00 -1.71 0.00 0.00 55.69 54.70 1t6w s MET 46 Cb 0.30 0.41 -0.10 0.00 2.01 0.00 0.00 34.83 37.45 1t6w s MET 46 CO -0.05 -0.22 1.32 0.15 -0.01 0.00 0.00 175.02 176.22 1t6w s LYS 47 N -0.67 4.36 0.94 2.03 -0.14 -1.26 -4.06 119.74 120.94 1t6w s LYS 47 Ca -0.05 2.17 -0.15 0.00 -1.36 0.00 0.00 55.97 56.58 1t6w s LYS 47 Cb -0.02 -3.11 0.18 0.00 -1.68 0.00 0.00 37.83 33.20 1t6w s LYS 47 CO 0.04 -0.23 1.29 -1.25 -0.76 0.00 0.00 175.35 174.44 1t6w s PRO 48 N -1.07 0.84 -0.28 -1.68 0.04 -1.26 -4.71 135.00 126.88 1t6w s PRO 48 Ca 0.53 -0.29 -0.01 0.00 0.04 0.00 0.00 61.00 61.27 1t6w s PRO 48 Cb -0.39 -1.86 0.09 0.00 0.04 0.00 0.00 34.50 32.38 1t6w s PRO 48 CO 0.47 -2.30 0.06 0.12 0.04 0.00 0.00 177.00 175.39 1t6w s PHE 49 N -3.79 1.70 -0.39 0.56 5.36 0.89 -4.96 117.98 117.35 1t6w s PHE 49 Ca 0.71 -1.58 -0.16 0.00 -0.96 0.00 0.00 56.93 54.94 1t6w s PHE 49 Cb -0.06 -1.58 0.01 0.00 -0.34 0.00 0.00 43.02 41.05 1t6w s PHE 49 CO 0.52 -0.81 0.38 -0.51 -1.46 0.00 0.00 175.22 173.35 1t6w s LEU 50 N 1.62 4.76 0.31 6.12 1.43 -1.26 -1.63 118.68 130.03 1t6w s LEU 50 Ca 0.05 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 52.66 1t6w s LEU 50 Cb -0.17 -2.32 0.86 0.00 0.03 0.00 0.00 46.19 44.59 1t6w s LEU 50 CO -0.19 -0.47 1.65 0.50 0.23 0.00 0.00 176.35 178.08 1t6w h LYS 51 N 8.62 0.25 -1.34 1.70 3.64 -1.46 -3.45 116.57 124.54 1t6w h LYS 51 Ca -0.28 -0.02 0.32 0.00 -1.27 0.00 0.00 60.65 59.40 1t6w h LYS 51 Cb 1.12 -0.06 -0.15 0.00 -0.41 0.00 0.00 32.23 32.73 1t6w h LYS 51 CO 0.75 0.17 0.87 -1.54 -2.27 0.00 0.00 179.45 177.42 1t6w s SER 52 N -5.02 -0.07 0.09 4.20 1.04 -1.26 -4.99 113.70 107.69 1t6w s SER 52 Ca -0.11 -0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.31 1t6w s SER 52 Cb 0.28 0.11 0.26 0.00 0.10 0.00 0.00 66.02 66.77 1t6w s SER 52 CO 0.78 -0.20 1.07 0.61 0.98 0.00 0.00 173.24 176.47 1t6w n GLY 53 N -0.31 -0.50 0.00 7.32 0.00 -1.26 -1.48 105.19 108.96 1t6w n GLY 53 Ca -0.04 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.48 2.37 -2.38 4.61 0.00 -1.26 -4.77 120.51 117.61 1t6w n ALA 54 Ca -0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 1t6w n ALA 54 Cb 0.12 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.15 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 1.08 -0.22 0.00 0.08 -0.55 -0.90 117.98 115.48 1t6w s PHE 55 Ca 0.28 -0.72 -0.08 0.00 0.12 0.00 0.00 56.93 56.54 1t6w s PHE 55 Cb 0.13 -0.58 0.10 0.00 -0.57 0.00 0.00 43.02 42.10 1t6w s PHE 55 CO 0.22 -0.00 0.47 -1.21 -0.10 0.00 0.00 175.22 174.60 1t6w s GLU 56 N -3.18 0.38 -0.68 0.44 2.02 -0.10 -4.91 118.70 112.68 1t6w s GLU 56 Ca 0.09 1.13 -0.27 0.00 0.02 0.00 0.00 54.97 55.94 1t6w s GLU 56 Cb -0.00 0.45 0.00 0.00 0.10 0.00 0.00 34.13 34.68 1t6w s GLU 56 CO -0.01 -0.24 1.57 -1.50 0.02 0.00 0.00 175.26 175.11 1t6w s ILE 57 N 2.66 3.54 1.01 -1.63 2.07 -1.26 -0.56 121.20 127.02 1t6w s ILE 57 Ca -0.03 0.30 -0.15 0.00 -1.41 0.00 0.00 60.65 59.36 1t6w s ILE 57 Cb -0.12 -4.43 0.05 0.00 0.13 0.00 0.00 42.46 38.09 1t6w s ILE 57 CO -0.14 -1.39 0.20 0.18 -1.91 0.00 0.00 174.94 171.88 1t6w n LEU 58 N 11.06 -1.19 0.28 8.50 4.32 0.15 -4.84 117.00 135.28 1t6w n LEU 58 Ca 0.12 0.17 0.16 0.00 -0.02 0.00 0.00 56.01 56.43 1t6w n LEU 58 Cb 0.51 -1.10 0.77 0.00 -1.62 0.00 0.00 43.42 41.98 1t6w n LEU 58 CO 0.71 -3.53 1.00 0.00 -1.22 0.00 0.00 177.39 174.35 1t6w h ALA 59 N -1.71 1.09 -0.83 -1.18 0.00 -1.94 -2.60 119.26 112.10 1t6w h ALA 59 Ca -0.47 -0.06 -0.45 0.00 0.00 0.00 0.00 54.91 53.92 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 0.09 0.58 0.27 0.00 0.00 0.00 179.25 180.54 1t6w n ASN 60 N -3.30 4.32 -3.17 0.00 0.23 -1.26 -4.86 115.26 107.22 1t6w n ASN 60 Ca -0.01 -3.37 -0.23 0.00 -0.53 0.00 0.00 54.58 50.44 1t6w n ASN 60 Cb 0.26 -0.82 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 -0.79 -0.51 3.65 4.83 0.00 -0.98 -4.51 105.19 106.87 1t6w n GLY 61 Ca 0.50 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.76 4.63 -0.22 1.61 1.01 -1.25 -4.82 116.67 114.88 1t6w s ASP 62 Ca 0.36 -0.52 -0.17 0.00 0.71 0.00 0.00 52.55 52.92 1t6w s ASP 62 Cb -0.17 -0.92 -0.03 0.00 1.01 0.00 0.00 42.92 42.81 1t6w s ASP 62 CO 0.44 0.05 0.47 -0.22 0.21 0.00 0.00 175.17 176.12 1t6w s LEU 63 N -3.29 4.12 -0.36 1.23 2.96 -1.21 0.32 118.68 122.44 1t6w s LEU 63 Ca 0.29 0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 54.69 1t6w s LEU 63 Cb -0.08 -2.62 0.05 0.00 0.50 0.00 0.00 46.19 44.04 1t6w s LEU 63 CO 0.19 -0.17 0.16 -0.75 -1.32 0.00 0.00 176.35 174.45 1t6w s LYS 64 N 1.72 2.63 0.05 1.98 2.20 0.27 -1.71 119.74 126.88 1t6w s LYS 64 Ca 0.21 -1.25 -0.21 0.00 -0.36 0.00 0.00 55.97 54.37 1t6w s LYS 64 Cb -0.15 -3.58 -0.06 0.00 -1.51 0.00 0.00 37.83 32.53 1t6w s LYS 64 CO 0.09 -0.75 0.62 0.42 -0.36 0.00 0.00 175.35 175.37 1t6w s ILE 65 N 1.42 4.76 -0.15 5.43 1.01 -0.52 -0.92 121.20 132.24 1t6w s ILE 65 Ca 0.00 1.32 -0.17 0.00 0.00 0.00 0.00 60.65 61.80 1t6w s ILE 65 Cb -0.20 -3.96 -0.24 0.00 0.01 0.00 0.00 42.46 38.07 1t6w s ILE 65 CO 0.03 0.48 0.41 0.50 0.00 0.00 0.00 174.94 176.35 1t6w h LYS 66 N 5.06 0.13 -2.77 2.79 3.64 -1.32 -3.23 116.57 120.86 1t6w h LYS 66 Ca -0.47 -0.23 -0.40 0.00 -1.27 0.00 0.00 60.65 58.28 1t6w h LYS 66 Cb 1.21 0.09 -0.38 0.00 -0.41 0.00 0.00 32.23 32.73 1t6w h LYS 66 CO 0.67 1.11 -0.69 1.21 -2.27 0.00 0.00 179.45 179.48 1t6w s ASN 67 N -6.91 1.95 0.71 4.20 2.47 -1.26 -3.89 114.94 112.21 1t6w s ASN 67 Ca -0.24 -0.48 -0.16 0.00 0.42 0.00 0.00 52.86 52.40 1t6w s ASN 67 Cb 0.05 0.06 0.01 0.00 -1.45 0.00 0.00 41.25 39.91 1t6w s ASN 67 CO 0.69 -0.35 1.06 0.18 -3.72 0.00 0.00 177.10 174.97 1t6w n LEU 68 N 5.30 4.14 -3.66 3.21 4.77 -0.29 -4.61 117.00 125.86 1t6w n LEU 68 Ca -0.06 0.70 -0.10 0.00 -0.03 0.00 0.00 56.01 56.52 1t6w n LEU 68 Cb 0.49 -1.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.09 1t6w n LEU 68 CO 0.09 -1.78 0.19 0.42 -1.33 0.00 0.00 177.39 174.98 1t6w s THR 69 N -1.73 0.06 0.13 -5.08 -4.23 -1.26 -0.85 115.64 102.68 1t6w s THR 69 Ca 0.76 -0.64 -0.28 0.00 -1.18 0.00 0.00 61.69 60.35 1t6w s THR 69 Cb -0.35 -1.29 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 1t6w s THR 69 CO 0.48 -0.25 1.59 0.03 -0.54 0.00 0.00 174.62 175.93 1t6w h ARG 70 N 2.32 -0.43 -0.11 3.99 2.47 -1.95 0.16 114.38 120.82 1t6w h ARG 70 Ca -0.33 0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.46 1t6w h ARG 70 Cb 1.26 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.67 1t6w h ARG 70 CO 0.44 -0.29 0.28 0.38 0.56 0.00 0.00 179.97 181.35 1t6w h ASP 71 N -0.45 0.00 1.40 7.04 3.04 -2.02 0.43 116.42 125.87 1t6w h ASP 71 Ca 0.09 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.88 1t6w h ASP 71 Cb 0.59 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.88 1t6w h ASP 71 CO -0.38 0.00 -0.10 -0.78 -2.04 0.00 0.00 179.24 175.93 1t6w h ASP 72 N 0.00 0.00 -3.43 4.15 3.58 -1.08 -3.45 116.42 116.19 1t6w h ASP 72 Ca 0.05 -0.03 -0.54 0.00 0.42 0.00 0.00 57.03 56.93 1t6w h ASP 72 Cb 0.62 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.63 1t6w h ASP 72 CO -0.00 0.02 0.23 -0.94 -2.88 0.00 0.00 179.24 175.67 1t6w s SER 73 N -4.57 7.25 0.00 2.28 1.04 0.15 -4.86 113.70 114.99 1t6w s SER 73 Ca 0.10 1.50 0.00 0.00 0.48 0.00 0.00 55.95 58.02 1t6w s SER 73 Cb 0.12 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1t6w s SER 73 CO 0.62 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.35 1t6w n GLY 74 N 2.68 -0.16 3.03 7.32 0.00 -0.23 -5.00 105.19 112.83 1t6w n GLY 74 Ca 0.01 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.54 1.13 0.05 2.61 2.01 -1.26 0.02 115.64 119.67 1t6w s THR 75 Ca 0.00 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.54 1t6w s THR 75 Cb 0.00 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1t6w s THR 75 CO 0.00 0.35 0.08 -0.31 -0.69 0.00 0.00 174.62 174.05 1t6w s TYR 76 N 0.62 3.22 -0.09 4.92 1.51 -0.02 -4.45 117.35 123.06 1t6w s TYR 76 Ca -0.14 0.12 -0.00 0.00 -1.01 0.00 0.00 57.07 56.04 1t6w s TYR 76 Cb -0.15 -1.66 0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1t6w s TYR 76 CO 0.04 0.53 -0.07 -0.80 -1.11 0.00 0.00 175.55 174.14 1t6w s ASN 77 N -2.18 1.92 -0.18 2.29 0.01 0.51 -1.04 114.94 116.28 1t6w s ASN 77 Ca 0.27 -0.25 -0.06 0.00 -0.71 0.00 0.00 52.86 52.11 1t6w s ASN 77 Cb -0.12 -0.74 -0.04 0.00 0.41 0.00 0.00 41.25 40.76 1t6w s ASN 77 CO 0.19 -0.10 0.03 -0.69 -1.51 0.00 0.00 177.10 175.02 1t6w s VAL 78 N 1.52 4.44 -0.43 1.60 1.01 0.57 -1.07 120.40 128.04 1t6w s VAL 78 Ca 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 1t6w s VAL 78 Cb -0.13 -2.99 0.12 0.00 0.00 0.00 0.00 36.38 33.37 1t6w s VAL 78 CO -0.05 0.46 0.20 -0.89 0.00 0.00 0.00 175.10 174.82 1t6w s THR 79 N 0.48 3.00 -0.09 3.92 2.01 -0.44 -1.34 115.64 123.17 1t6w s THR 79 Ca 0.01 -2.38 -0.21 0.00 0.31 0.00 0.00 61.69 59.42 1t6w s THR 79 Cb -0.13 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1t6w s THR 79 CO 0.01 -0.70 0.58 -0.69 -0.69 0.00 0.00 174.62 173.14 1t6w s VAL 80 N 0.78 5.12 0.16 3.82 1.01 0.15 -2.41 120.40 129.03 1t6w s VAL 80 Ca 0.11 1.18 0.09 0.00 0.00 0.00 0.00 61.98 63.37 1t6w s VAL 80 Cb -0.22 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1t6w s VAL 80 CO -0.05 0.29 -0.20 -0.31 0.00 0.00 0.00 175.10 174.83 1t6w s TYR 81 N 0.72 1.93 0.76 5.22 2.02 0.17 -0.73 117.35 127.43 1t6w s TYR 81 Ca 0.31 -0.43 -0.05 0.00 -0.37 0.00 0.00 57.07 56.52 1t6w s TYR 81 Cb -0.16 -0.98 0.12 0.00 -0.40 0.00 0.00 41.96 40.54 1t6w s TYR 81 CO 0.14 0.35 1.05 -1.54 -1.57 0.00 0.00 175.55 173.98 1t6w s SER 82 N -2.53 4.26 0.62 2.29 1.04 0.27 -0.80 113.70 118.85 1t6w s SER 82 Ca 0.15 0.00 0.38 0.00 0.48 0.00 0.00 55.95 56.96 1t6w s SER 82 Cb -0.07 -0.41 2.04 0.00 0.10 0.00 0.00 66.02 67.68 1t6w s SER 82 CO 0.07 -1.94 2.26 0.71 0.98 0.00 0.00 173.24 175.32 1t6w h THR 83 N -0.75 0.18 -0.66 2.02 1.35 -1.81 -1.23 112.91 112.01 1t6w h THR 83 Ca -0.41 -0.15 -0.24 0.00 -0.55 0.00 0.00 66.41 65.07 1t6w h THR 83 Cb 1.27 1.12 -0.14 0.00 -1.73 0.00 0.00 68.15 68.67 1t6w h THR 83 CO 0.45 0.02 0.30 0.59 -0.25 0.00 0.00 175.52 176.63 1t6w n ASN 84 N -3.31 4.18 -2.21 5.36 4.13 -1.26 -4.88 115.26 117.27 1t6w n ASN 84 Ca -0.02 -3.07 -0.17 0.00 1.68 0.00 0.00 54.58 53.00 1t6w n ASN 84 Cb 0.13 -0.72 -0.02 0.00 -1.54 0.00 0.00 39.78 37.62 1t6w n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1t6w n GLY 85 N -0.25 -0.02 3.94 7.41 0.00 -0.46 -4.96 105.19 110.85 1t6w n GLY 85 Ca 0.37 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.74 5.24 -0.44 2.61 2.01 -1.25 -4.84 115.64 116.22 1t6w s THR 86 Ca 0.00 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 1t6w s THR 86 Cb 0.00 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.74 1t6w s THR 86 CO 0.00 -0.25 1.28 -0.13 -0.69 0.00 0.00 174.62 174.83 1t6w s ARG 87 N -3.61 3.66 -0.21 4.92 0.52 -1.26 -0.56 118.95 122.40 1t6w s ARG 87 Ca 0.36 0.77 -0.18 0.00 -0.52 0.00 0.00 55.73 56.17 1t6w s ARG 87 Cb -0.10 -3.96 -0.19 0.00 0.52 0.00 0.00 34.95 31.21 1t6w s ARG 87 CO 0.30 -1.47 0.15 -0.89 0.02 0.00 0.00 175.30 173.41 1t6w n ILE 88 N 6.94 1.57 -3.65 1.52 2.08 0.09 -4.90 119.36 123.01 1t6w n ILE 88 Ca 0.14 -0.18 -0.16 0.00 0.56 0.00 0.00 62.75 63.12 1t6w n ILE 88 Cb 0.48 -1.96 -0.07 0.00 -0.75 0.00 0.00 39.64 37.34 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 -7.67 0.13 -0.19 1.39 0.20 -0.78 -5.00 118.68 106.75 1t6w s LEU 89 Ca -0.29 0.40 -0.05 0.00 0.69 0.00 0.00 54.13 54.88 1t6w s LEU 89 Cb 0.07 1.88 0.07 0.00 -0.43 0.00 0.00 46.19 47.78 1t6w s LEU 89 CO 0.60 -0.52 0.12 0.21 -0.29 0.00 0.00 176.35 176.48 1t6w s ASN 90 N -1.24 2.29 0.22 3.68 3.04 -1.26 0.31 114.94 121.99 1t6w s ASN 90 Ca -0.12 -0.62 0.11 0.00 0.04 0.00 0.00 52.86 52.26 1t6w s ASN 90 Cb -0.03 -0.12 -0.05 0.00 -1.54 0.00 0.00 41.25 39.51 1t6w s ASN 90 CO 0.07 -0.36 -0.20 -0.54 -3.04 0.00 0.00 177.10 173.03 1t6w s LYS 91 N 2.17 1.52 -0.03 0.43 -0.14 -0.45 -4.97 119.74 118.27 1t6w s LYS 91 Ca 0.04 -1.61 -0.01 0.00 -1.36 0.00 0.00 55.97 53.03 1t6w s LYS 91 Cb -0.16 -1.65 0.03 0.00 -1.68 0.00 0.00 37.83 34.37 1t6w s LYS 91 CO -0.13 0.33 0.05 0.00 -0.76 0.00 0.00 175.35 174.83 1t6w s ALA 92 N -2.21 0.16 0.32 5.17 0.00 -1.26 -0.32 121.76 123.62 1t6w s ALA 92 Ca 0.24 0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.53 1t6w s ALA 92 Cb -0.06 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.55 1t6w s ALA 92 CO 0.11 -0.32 -0.08 -0.51 0.00 0.00 0.00 175.76 174.96 1t6w s LEU 93 N 1.67 2.63 -0.19 0.00 1.02 -0.20 -3.08 118.68 120.52 1t6w s LEU 93 Ca -0.01 -1.19 -0.03 0.00 0.02 0.00 0.00 54.13 52.91 1t6w s LEU 93 Cb -0.12 -0.85 -0.01 0.00 0.02 0.00 0.00 46.19 45.22 1t6w s LEU 93 CO -0.03 -0.26 -0.06 -1.81 0.02 0.00 0.00 176.35 174.21 1t6w s ASP 94 N -3.54 4.32 -0.30 2.29 1.01 0.34 -0.84 116.67 119.94 1t6w s ASP 94 Ca 0.31 -0.33 -0.07 0.00 0.71 0.00 0.00 52.55 53.18 1t6w s ASP 94 Cb 0.03 -1.72 0.02 0.00 1.01 0.00 0.00 42.92 42.26 1t6w s ASP 94 CO 0.15 0.06 0.08 -0.22 0.21 0.00 0.00 175.17 175.45 1t6w s LEU 95 N 1.00 3.95 -0.24 1.23 0.20 0.10 0.02 118.68 124.94 1t6w s LEU 95 Ca -0.00 -0.82 -0.03 0.00 0.69 0.00 0.00 54.13 53.97 1t6w s LEU 95 Cb -0.15 -1.87 0.01 0.00 -0.43 0.00 0.00 46.19 43.75 1t6w s LEU 95 CO -0.00 -0.22 -0.04 0.00 -0.29 0.00 0.00 176.35 175.80 1t6w s ARG 96 N 1.47 3.08 -0.34 1.98 1.70 -0.55 -1.07 118.95 125.22 1t6w s ARG 96 Ca 0.01 -0.82 -0.07 0.00 -0.47 0.00 0.00 55.73 54.38 1t6w s ARG 96 Cb -0.18 -3.03 0.04 0.00 -0.57 0.00 0.00 34.95 31.21 1t6w s ARG 96 CO 0.02 -0.32 0.12 0.42 -1.08 0.00 0.00 175.30 174.46 1t6w s ILE 97 N 1.41 3.93 0.12 4.99 1.01 -1.26 -1.18 121.20 130.21 1t6w s ILE 97 Ca 0.03 -1.06 -0.31 0.00 0.00 0.00 0.00 60.65 59.31 1t6w s ILE 97 Cb -0.16 -3.21 -0.09 0.00 0.01 0.00 0.00 42.46 39.01 1t6w s ILE 97 CO -0.03 -0.17 1.60 -0.76 0.00 0.00 0.00 174.94 175.57 1t6w s LEU 98 N 1.43 4.37 0.00 2.97 1.43 0.14 -4.60 118.68 124.42 1t6w s LEU 98 Ca -0.01 2.55 0.01 0.00 -1.03 0.00 0.00 54.13 55.65 1t6w s LEU 98 Cb -0.19 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.49 1t6w s LEU 98 CO 0.03 -0.85 0.54 -0.62 0.23 0.00 0.00 176.35 175.68