#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6w h ASP 2 N 0.00 1.05 -3.44 0.55 5.19 -1.94 -3.44 116.42 114.40 1t6w h ASP 2 Ca 0.00 -0.17 -0.54 0.00 -0.62 0.00 0.00 57.03 55.70 1t6w h ASP 2 Cb 0.00 -0.27 0.09 0.00 0.18 0.00 0.00 39.33 39.33 1t6w h ASP 2 CO 0.00 0.94 0.83 -1.54 -3.12 0.00 0.00 179.24 176.35 1t6w n SER 3 N -4.27 3.76 0.00 6.45 3.41 -1.26 -4.43 113.62 117.28 1t6w n SER 3 Ca 0.07 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.85 1t6w n SER 3 Cb 0.20 -1.59 0.00 0.00 -0.26 0.00 0.00 64.21 62.56 1t6w n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t6w n GLY 4 N 1.62 0.14 3.53 5.00 0.00 -1.26 -4.84 105.19 109.39 1t6w n GLY 4 Ca 0.06 -0.93 -0.48 0.00 0.00 0.00 0.00 46.02 44.67 1t6w n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1t6w n THR 5 N 0.00 1.41 -4.32 2.61 -1.04 -1.24 -3.22 114.28 108.48 1t6w n THR 5 Ca 0.00 -0.35 -0.20 0.00 -2.04 0.00 0.00 64.05 61.46 1t6w n THR 5 Cb 0.00 -0.60 -0.13 0.00 -1.82 0.00 0.00 70.33 67.78 1t6w n THR 5 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1t6w s VAL 6 N -0.62 1.13 -0.16 12.58 0.11 0.16 -4.80 120.40 128.79 1t6w s VAL 6 Ca 0.68 -1.07 -0.02 0.00 -2.93 0.00 0.00 61.98 58.64 1t6w s VAL 6 Cb -0.87 -1.04 -0.02 0.00 -1.53 0.00 0.00 36.38 32.93 1t6w s VAL 6 CO 0.56 -0.04 -0.08 0.26 -3.33 0.00 0.00 175.10 172.47 1t6w s TRP 7 N -0.94 2.91 0.30 1.54 0.52 -1.26 -1.38 118.94 120.63 1t6w s TRP 7 Ca 0.01 -0.61 -0.00 0.00 0.02 0.00 0.00 56.10 55.52 1t6w s TRP 7 Cb -0.08 -1.94 0.00 0.00 -1.15 0.00 0.00 33.47 30.30 1t6w s TRP 7 CO 0.01 -0.24 0.39 0.41 0.02 0.00 0.00 176.95 177.54 1t6w n GLY 8 N 3.84 2.40 3.14 0.98 0.00 -0.44 -5.00 105.19 110.10 1t6w n GLY 8 Ca -0.18 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.69 1.62 0.20 4.61 0.00 -1.26 0.23 121.76 124.48 1t6w s ALA 9 Ca 0.26 -0.70 -0.32 0.00 0.00 0.00 0.00 51.96 51.19 1t6w s ALA 9 Cb -0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 23.12 22.40 1t6w s ALA 9 CO 0.19 0.26 1.43 -0.11 0.00 0.00 0.00 175.76 177.52 1t6w n LEU 10 N 3.33 2.87 0.00 0.00 7.94 -0.57 -0.94 117.00 129.62 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 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 43.08 1t6w n LEU 10 CO 0.26 -0.54 0.00 0.61 -1.11 0.00 0.00 177.39 176.60 1t6w n GLY 11 N 2.50 1.36 3.82 -3.96 0.00 -0.13 -4.82 105.19 103.97 1t6w n GLY 11 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.77 2.76 0.71 1.61 5.65 -0.12 -4.52 115.29 118.61 1t6w s HIS 12 Ca 0.00 -0.42 -0.12 0.00 0.25 0.00 0.00 55.06 54.78 1t6w s HIS 12 Cb 0.00 -1.91 0.17 0.00 -1.18 0.00 0.00 32.58 29.66 1t6w s HIS 12 CO 0.00 0.11 0.64 0.41 -0.65 0.00 0.00 174.74 175.25 1t6w n GLY 13 N -1.37 -2.56 0.00 1.59 0.00 -1.26 -1.16 105.19 100.43 1t6w n GLY 13 Ca -0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.83 0.00 -5.11 -0.61 0.13 -1.23 -4.72 119.36 104.00 1t6w n ILE 14 Ca 0.09 0.00 -0.30 0.00 -1.10 0.00 0.00 62.75 61.44 1t6w n ILE 14 Cb 0.34 0.00 -0.17 0.00 -0.84 0.00 0.00 39.64 38.97 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 2.81 -0.46 9.51 2.15 -1.26 -1.50 116.67 127.91 1t6w s ASP 15 Ca 0.00 -0.49 -0.22 0.00 0.43 0.00 0.00 52.55 52.27 1t6w s ASP 15 Cb 0.00 -1.08 0.03 0.00 -0.30 0.00 0.00 42.92 41.57 1t6w s ASP 15 CO 0.00 0.17 0.72 -0.76 -0.17 0.00 0.00 175.17 175.13 1t6w s LEU 16 N 0.20 4.44 -0.21 -1.34 1.02 -0.76 -4.96 118.68 117.07 1t6w s LEU 16 Ca -0.12 -0.34 -0.18 0.00 0.02 0.00 0.00 54.13 53.50 1t6w s LEU 16 Cb -0.16 -2.78 -0.03 0.00 0.02 0.00 0.00 46.19 43.24 1t6w s LEU 16 CO 0.06 -0.89 0.52 -1.81 0.02 0.00 0.00 176.35 174.25 1t6w s ASP 17 N 2.23 6.54 -0.23 2.29 1.01 -1.26 -3.48 116.67 123.77 1t6w s ASP 17 Ca 0.25 0.65 -0.28 0.00 0.71 0.00 0.00 52.55 53.88 1t6w s ASP 17 Cb -0.14 -2.29 0.01 0.00 1.01 0.00 0.00 42.92 41.51 1t6w s ASP 17 CO 0.19 -0.20 1.00 -0.63 0.21 0.00 0.00 175.17 175.74 1t6w s ILE 18 N 1.78 4.71 0.22 0.77 1.01 -1.26 -4.22 121.20 124.20 1t6w s ILE 18 Ca 0.24 1.95 -0.32 0.00 0.00 0.00 0.00 60.65 62.52 1t6w s ILE 18 Cb -0.15 -4.28 -0.12 0.00 0.01 0.00 0.00 42.46 37.92 1t6w s ILE 18 CO 0.09 -0.16 1.70 -2.65 0.00 0.00 0.00 174.94 173.92 1t6w n PRO 19 N 6.25 2.76 -3.85 2.79 -0.02 -1.26 -3.56 135.00 138.12 1t6w n PRO 19 Ca 0.11 0.99 -0.33 0.00 -2.02 0.00 0.00 63.50 62.26 1t6w n PRO 19 Cb 0.46 -2.83 0.01 0.00 -0.02 0.00 0.00 33.50 31.13 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 -4.81 -3.96 2.55 2.85 -1.26 -4.99 115.26 109.27 1t6w n ASN 20 Ca 0.15 -1.05 -0.10 0.00 -0.11 0.00 0.00 54.58 53.47 1t6w n ASN 20 Cb 0.35 -2.08 -0.11 0.00 1.24 0.00 0.00 39.78 39.18 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 -3.25 0.21 -0.15 1.20 5.36 -1.23 -5.06 117.98 115.05 1t6w s PHE 21 Ca 0.25 -0.43 -0.04 0.00 -0.96 0.00 0.00 56.93 55.74 1t6w s PHE 21 Cb -0.13 -0.16 0.08 0.00 -0.34 0.00 0.00 43.02 42.47 1t6w s PHE 21 CO 0.91 -0.20 0.25 -0.65 -1.46 0.00 0.00 175.22 174.07 1t6w s GLN 22 N -1.38 0.16 -1.24 10.12 -0.21 -1.26 -5.01 119.66 120.83 1t6w s GLN 22 Ca -0.15 0.55 -0.19 0.00 0.02 0.00 0.00 55.36 55.59 1t6w s GLN 22 Cb -0.09 -0.44 0.05 0.00 1.00 0.00 0.00 33.01 33.53 1t6w s GLN 22 CO -0.00 -0.42 1.72 1.41 -2.12 0.00 0.00 175.29 175.88 1t6w s MET 23 N 2.39 3.74 0.30 2.91 -2.45 -1.26 -4.79 119.30 120.13 1t6w s MET 23 Ca 0.04 -1.75 0.03 0.00 -1.25 0.00 0.00 55.69 52.76 1t6w s MET 23 Cb -0.13 -5.47 0.03 0.00 1.25 0.00 0.00 34.83 30.51 1t6w s MET 23 CO -0.10 -2.47 0.27 0.25 1.05 0.00 0.00 175.02 174.03 1t6w n THR 24 N 6.65 0.00 -0.00 10.11 -2.24 -1.26 -4.92 114.28 122.62 1t6w n THR 24 Ca 0.46 -1.12 0.10 0.00 -2.27 0.00 0.00 64.05 61.22 1t6w n THR 24 Cb 0.47 -0.38 0.52 0.00 -2.10 0.00 0.00 70.33 68.85 1t6w n THR 24 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1t6w h ASP 25 N 0.27 0.30 0.30 3.42 2.03 -2.04 0.54 116.42 121.24 1t6w h ASP 25 Ca -0.17 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.11 1t6w h ASP 25 Cb 0.67 -0.06 -0.00 0.00 -0.83 0.00 0.00 39.33 39.11 1t6w h ASP 25 CO 0.27 0.19 -0.07 0.44 -1.03 0.00 0.00 179.24 179.04 1t6w h ASP 26 N 0.34 0.00 -3.34 4.15 3.32 -1.94 -3.42 116.42 115.52 1t6w h ASP 26 Ca 0.20 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.70 1t6w h ASP 26 Cb 0.37 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1t6w h ASP 26 CO -0.05 0.07 0.41 -0.63 -1.72 0.00 0.00 179.24 177.32 1t6w s ILE 27 N -4.22 4.86 -0.18 0.35 -1.09 0.18 -1.69 121.20 119.42 1t6w s ILE 27 Ca -0.03 1.95 0.03 0.00 -2.23 0.00 0.00 60.65 60.37 1t6w s ILE 27 Cb 0.13 -4.27 -0.13 0.00 -1.58 0.00 0.00 42.46 36.61 1t6w s ILE 27 CO 0.55 0.10 -0.13 -0.67 -1.23 0.00 0.00 174.94 173.57 1t6w n ASP 28 N 4.39 2.40 -3.98 3.58 2.03 -0.19 -4.80 116.55 119.99 1t6w n ASP 28 Ca 0.06 -0.08 -0.09 0.00 0.52 0.00 0.00 54.79 55.20 1t6w n ASP 28 Cb 0.50 -0.10 -0.10 0.00 -0.72 0.00 0.00 41.12 40.70 1t6w n ASP 28 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1t6w s GLU 29 N -2.36 0.43 -0.13 -0.67 2.02 -1.08 -0.05 118.70 116.85 1t6w s GLU 29 Ca -0.22 -0.73 -0.04 0.00 0.02 0.00 0.00 54.97 54.01 1t6w s GLU 29 Cb 0.06 0.16 0.07 0.00 0.10 0.00 0.00 34.13 34.51 1t6w s GLU 29 CO 0.45 -0.08 0.23 0.08 0.02 0.00 0.00 175.26 175.95 1t6w s VAL 30 N -2.10 -0.36 -0.09 2.63 1.01 -0.89 0.28 120.40 120.88 1t6w s VAL 30 Ca -0.10 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1t6w s VAL 30 Cb -0.05 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1t6w s VAL 30 CO -0.03 0.06 -0.16 -0.13 0.00 0.00 0.00 175.10 174.85 1t6w s ARG 31 N 2.37 3.00 -0.81 2.72 0.52 -0.94 0.32 118.95 126.12 1t6w s ARG 31 Ca 0.03 -0.73 -0.03 0.00 -0.52 0.00 0.00 55.73 54.49 1t6w s ARG 31 Cb -0.13 -2.48 0.20 0.00 0.52 0.00 0.00 34.95 33.07 1t6w s ARG 31 CO -0.09 0.36 0.68 -1.58 0.02 0.00 0.00 175.30 174.69 1t6w s TRP 32 N -0.04 3.75 0.02 -0.53 0.52 0.19 -1.44 118.94 121.40 1t6w s TRP 32 Ca -0.04 -2.90 -0.04 0.00 0.02 0.00 0.00 56.10 53.14 1t6w s TRP 32 Cb -0.14 -3.25 -0.04 0.00 -1.15 0.00 0.00 33.47 28.88 1t6w s TRP 32 CO 0.04 -0.78 0.24 -1.21 0.02 0.00 0.00 176.95 175.26 1t6w s GLU 33 N -0.92 3.51 -0.10 4.98 2.02 -0.26 -1.62 118.70 126.31 1t6w s GLU 33 Ca 0.24 -0.22 -0.02 0.00 0.02 0.00 0.00 54.97 54.99 1t6w s GLU 33 Cb -0.11 -3.06 0.04 0.00 0.10 0.00 0.00 34.13 31.10 1t6w s GLU 33 CO -0.10 0.64 0.04 0.50 0.02 0.00 0.00 175.26 176.36 1t6w s ARG 34 N -1.99 0.36 6.48 1.61 3.52 -0.64 -0.30 118.95 127.98 1t6w s ARG 34 Ca 0.29 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.96 1t6w s ARG 34 Cb -0.13 -1.16 0.00 0.00 -1.56 0.00 0.00 34.95 32.10 1t6w s ARG 34 CO 0.19 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.67 1t6w n GLY 35 N 5.19 3.03 2.24 8.12 0.00 -1.26 -1.49 105.19 121.02 1t6w n GLY 35 Ca -0.06 0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 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 9.51 5.23 -3.64 1.61 7.64 -1.26 -5.02 113.62 127.69 1t6w n SER 36 Ca 0.00 -3.75 -0.10 0.00 1.01 0.00 0.00 58.87 56.03 1t6w n SER 36 Cb 0.00 -0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 62.68 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 -4.95 0.07 0.02 0.44 2.01 -0.55 -5.17 115.64 107.51 1t6w s THR 37 Ca 0.51 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 1t6w s THR 37 Cb 0.42 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1t6w s THR 37 CO -0.06 -0.32 0.14 -0.76 -0.69 0.00 0.00 174.62 172.93 1t6w s LEU 38 N -2.81 4.13 -0.02 4.42 1.43 -1.26 -1.62 118.68 122.95 1t6w s LEU 38 Ca 0.03 0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1t6w s LEU 38 Cb 0.02 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 1t6w s LEU 38 CO -0.12 0.24 -0.02 0.52 0.23 0.00 0.00 176.35 177.20 1t6w n VAL 39 N 0.85 0.12 -3.20 -1.59 0.31 -0.64 -4.62 118.33 109.56 1t6w n VAL 39 Ca -0.10 -0.04 0.04 0.00 -0.01 0.00 0.00 64.34 64.23 1t6w n VAL 39 Cb 0.52 -0.83 -0.02 0.00 -0.91 0.00 0.00 33.84 32.60 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 -2.04 -2.77 -0.19 3.52 0.00 -1.18 -1.30 121.76 117.79 1t6w s ALA 40 Ca -0.03 1.73 -0.00 0.00 0.00 0.00 0.00 51.96 53.66 1t6w s ALA 40 Cb 0.01 -2.27 0.01 0.00 0.00 0.00 0.00 23.12 20.87 1t6w s ALA 40 CO 0.05 -1.32 -0.15 -1.21 0.00 0.00 0.00 175.76 173.12 1t6w s GLU 41 N 2.86 3.08 0.21 0.00 2.02 -0.52 -0.64 118.70 125.71 1t6w s GLU 41 Ca 0.08 -0.79 0.06 0.00 0.02 0.00 0.00 54.97 54.34 1t6w s GLU 41 Cb -0.12 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.37 1t6w s GLU 41 CO -0.16 -0.22 0.21 0.12 0.02 0.00 0.00 175.26 175.22 1t6w s PHE 42 N 1.34 3.20 -0.08 1.61 2.19 0.15 -0.31 117.98 126.07 1t6w s PHE 42 Ca 0.05 -0.05 -0.17 0.00 0.33 0.00 0.00 56.93 57.09 1t6w s PHE 42 Cb -0.14 -1.48 0.04 0.00 -1.31 0.00 0.00 43.02 40.13 1t6w s PHE 42 CO -0.10 0.51 0.40 0.21 1.83 0.00 0.00 175.22 178.07 1t6w s LYS 43 N -3.58 0.63 -0.76 10.12 2.20 -1.26 -2.10 119.74 125.00 1t6w s LYS 43 Ca 0.33 0.21 -0.25 0.00 -0.36 0.00 0.00 55.97 55.90 1t6w s LYS 43 Cb -0.09 0.29 -0.14 0.00 -1.51 0.00 0.00 37.83 36.38 1t6w s LYS 43 CO 0.25 -0.14 2.41 -2.13 -0.36 0.00 0.00 175.35 175.38 1t6w n ARG 44 N 1.95 0.59 0.00 4.03 3.00 0.92 -3.23 116.66 123.92 1t6w n ARG 44 Ca -0.17 -0.68 0.00 0.00 -0.00 0.00 0.00 57.85 57.00 1t6w n ARG 44 Cb 0.57 -3.49 0.00 0.00 0.00 0.00 0.00 32.46 29.54 1t6w n ARG 44 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1t6w n LYS 45 N 8.65 0.00 -1.52 -0.14 0.00 -1.26 -4.97 118.16 118.91 1t6w n LYS 45 Ca 0.47 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 58.36 1t6w n LYS 45 Cb 0.43 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.46 1t6w n LYS 45 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1t6w n MET 46 N 0.00 0.89 -1.68 1.64 2.81 -1.20 -4.82 117.12 114.75 1t6w n MET 46 Ca 0.00 0.32 -0.45 0.00 -1.81 0.00 0.00 57.70 55.76 1t6w n MET 46 Cb 0.00 -1.72 -0.04 0.00 -0.71 0.00 0.00 33.22 30.75 1t6w n MET 46 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1t6w n LYS 47 N 0.40 2.43 -0.18 0.03 4.76 -1.26 -4.15 118.16 120.19 1t6w n LYS 47 Ca 0.11 0.88 0.00 0.00 -2.87 0.00 0.00 58.31 56.43 1t6w n LYS 47 Cb 0.39 -2.71 0.00 0.00 -1.84 0.00 0.00 35.03 30.87 1t6w n LYS 47 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1t6w n PRO 48 N 4.57 0.48 -3.59 1.97 -0.04 -1.26 -4.81 135.00 132.32 1t6w n PRO 48 Ca 0.18 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.36 1t6w n PRO 48 Cb 0.32 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.62 1t6w n PRO 48 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1t6w s PHE 49 N -0.35 0.40 -0.42 0.54 5.36 0.57 -4.96 117.98 119.13 1t6w s PHE 49 Ca 0.00 -0.74 -0.16 0.00 -0.96 0.00 0.00 56.93 55.07 1t6w s PHE 49 Cb 0.00 -0.89 0.03 0.00 -0.34 0.00 0.00 43.02 41.82 1t6w s PHE 49 CO 0.00 -0.71 0.38 -0.51 -1.46 0.00 0.00 175.22 172.92 1t6w s LEU 50 N 2.07 5.06 0.35 6.12 1.43 -1.26 -1.43 118.68 131.01 1t6w s LEU 50 Ca 0.06 -0.85 0.15 0.00 -1.03 0.00 0.00 54.13 52.46 1t6w s LEU 50 Cb -0.16 -2.27 1.11 0.00 0.03 0.00 0.00 46.19 44.91 1t6w s LEU 50 CO -0.25 -0.54 1.66 0.50 0.23 0.00 0.00 176.35 177.95 1t6w h LYS 51 N 8.70 0.30 -1.22 1.70 3.64 -1.45 -3.44 116.57 124.79 1t6w h LYS 51 Ca -0.27 -0.02 0.33 0.00 -1.27 0.00 0.00 60.65 59.42 1t6w h LYS 51 Cb 1.11 -0.07 -0.17 0.00 -0.41 0.00 0.00 32.23 32.69 1t6w h LYS 51 CO 0.78 0.20 0.92 -1.54 -2.27 0.00 0.00 179.45 177.53 1t6w s SER 52 N -4.88 -0.05 0.10 4.20 1.04 -1.26 -4.99 113.70 107.86 1t6w s SER 52 Ca -0.10 -0.03 0.05 0.00 0.48 0.00 0.00 55.95 56.36 1t6w s SER 52 Cb 0.30 0.07 0.29 0.00 0.10 0.00 0.00 66.02 66.78 1t6w s SER 52 CO 0.79 -0.12 1.09 0.61 0.98 0.00 0.00 173.24 176.58 1t6w n GLY 53 N -0.22 -0.51 0.00 7.32 0.00 -1.26 -1.46 105.19 109.05 1t6w n GLY 53 Ca -0.02 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.49 2.34 -2.40 4.61 0.00 -1.26 -4.76 120.51 117.55 1t6w n ALA 54 Ca -0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 53.44 53.14 1t6w n ALA 54 Cb 0.11 -1.36 -0.11 0.00 0.00 0.00 0.00 19.45 18.10 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 1.29 -0.20 0.00 0.08 -0.54 -1.19 117.98 115.44 1t6w s PHE 55 Ca 0.33 -0.65 -0.05 0.00 0.12 0.00 0.00 56.93 56.68 1t6w s PHE 55 Cb 0.15 -0.67 0.10 0.00 -0.57 0.00 0.00 43.02 42.03 1t6w s PHE 55 CO 0.25 0.10 0.37 -1.21 -0.10 0.00 0.00 175.22 174.64 1t6w s GLU 56 N -3.11 0.29 -0.76 0.44 0.41 -0.11 -4.91 118.70 110.95 1t6w s GLU 56 Ca 0.11 0.84 -0.26 0.00 -0.41 0.00 0.00 54.97 55.26 1t6w s GLU 56 Cb -0.02 0.03 0.01 0.00 -1.78 0.00 0.00 34.13 32.37 1t6w s GLU 56 CO 0.02 -0.36 1.56 -1.50 -0.49 0.00 0.00 175.26 174.49 1t6w s ILE 57 N 2.55 3.61 1.06 -1.63 2.07 -1.26 -0.59 121.20 127.01 1t6w s ILE 57 Ca 0.03 0.07 -0.21 0.00 -1.41 0.00 0.00 60.65 59.12 1t6w s ILE 57 Cb -0.13 -4.54 -0.03 0.00 0.13 0.00 0.00 42.46 37.90 1t6w s ILE 57 CO -0.13 -1.48 -0.58 0.18 -1.91 0.00 0.00 174.94 171.03 1t6w n LEU 58 N 10.86 -2.66 0.24 8.50 4.32 0.34 -4.78 117.00 133.83 1t6w n LEU 58 Ca 0.17 -0.02 0.11 0.00 -0.02 0.00 0.00 56.01 56.25 1t6w n LEU 58 Cb 0.50 -0.80 0.61 0.00 -1.62 0.00 0.00 43.42 42.11 1t6w n LEU 58 CO 0.69 -3.13 0.90 0.00 -1.22 0.00 0.00 177.39 174.63 1t6w h ALA 59 N -1.58 1.17 -0.84 -1.18 0.00 -1.94 -2.77 119.26 112.12 1t6w h ALA 59 Ca -0.47 -0.16 -0.49 0.00 0.00 0.00 0.00 54.91 53.80 1t6w h ALA 59 Cb 1.36 -0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.87 1t6w h ALA 59 CO 0.31 0.22 0.62 0.27 0.00 0.00 0.00 179.25 180.67 1t6w n ASN 60 N -3.54 4.98 -2.96 0.00 0.23 -1.26 -4.82 115.26 107.89 1t6w n ASN 60 Ca -0.01 -3.43 -0.22 0.00 -0.53 0.00 0.00 54.58 50.39 1t6w n ASN 60 Cb 0.32 -0.87 0.02 0.00 -2.08 0.00 0.00 39.78 37.18 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 -0.76 -0.51 3.96 4.83 0.00 -1.04 -4.52 105.19 107.14 1t6w n GLY 61 Ca 0.51 0.10 -0.19 0.00 0.00 0.00 0.00 46.02 46.44 1t6w n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t6w s ASP 62 N -2.57 5.83 -0.24 1.61 2.15 -1.25 -4.88 116.67 117.31 1t6w s ASP 62 Ca 0.26 -0.25 -0.07 0.00 0.43 0.00 0.00 52.55 52.92 1t6w s ASP 62 Cb -0.12 -1.19 -0.03 0.00 -0.30 0.00 0.00 42.92 41.28 1t6w s ASP 62 CO 0.32 -0.41 0.07 -0.22 -0.17 0.00 0.00 175.17 174.76 1t6w s LEU 63 N -4.13 3.45 -0.33 -1.34 2.96 -1.23 -0.50 118.68 117.55 1t6w s LEU 63 Ca 0.44 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 54.08 1t6w s LEU 63 Cb -0.09 -1.92 0.03 0.00 0.50 0.00 0.00 46.19 44.71 1t6w s LEU 63 CO 0.30 -0.02 0.12 -0.75 -1.32 0.00 0.00 176.35 174.68 1t6w s LYS 64 N 1.55 2.77 -0.02 1.98 2.36 0.24 -1.82 119.74 126.80 1t6w s LYS 64 Ca 0.06 -1.08 -0.18 0.00 -2.55 0.00 0.00 55.97 52.22 1t6w s LYS 64 Cb -0.15 -3.49 -0.05 0.00 -1.05 0.00 0.00 37.83 33.09 1t6w s LYS 64 CO 0.04 -0.62 0.51 0.42 1.55 0.00 0.00 175.35 177.25 1t6w s ILE 65 N 1.46 4.98 -0.08 5.43 1.01 -0.56 -0.94 121.20 132.50 1t6w s ILE 65 Ca 0.00 1.05 -0.23 0.00 0.00 0.00 0.00 60.65 61.47 1t6w s ILE 65 Cb -0.19 -3.84 -0.29 0.00 0.01 0.00 0.00 42.46 38.15 1t6w s ILE 65 CO 0.03 0.46 0.82 0.07 0.00 0.00 0.00 174.94 176.33 1t6w h LYS 66 N 5.48 0.21 -2.61 2.79 2.10 -1.47 -3.25 116.57 119.82 1t6w h LYS 66 Ca -0.47 -0.37 -0.28 0.00 -2.00 0.00 0.00 60.65 57.54 1t6w h LYS 66 Cb 1.20 0.14 -0.35 0.00 -0.90 0.00 0.00 32.23 32.32 1t6w h LYS 66 CO 0.68 1.18 -0.59 -0.80 -2.00 0.00 0.00 179.45 177.91 1t6w s ASN 67 N -6.79 1.00 0.48 7.07 0.02 -1.26 -4.04 114.94 111.42 1t6w s ASN 67 Ca -0.16 0.05 -0.22 0.00 -1.02 0.00 0.00 52.86 51.51 1t6w s ASN 67 Cb 0.00 0.50 -0.09 0.00 0.02 0.00 0.00 41.25 41.68 1t6w s ASN 67 CO 0.79 -0.30 1.01 0.18 0.02 0.00 0.00 177.10 178.80 1t6w n LEU 68 N 5.33 3.05 -3.89 0.60 4.77 -0.31 -4.59 117.00 121.95 1t6w n LEU 68 Ca -0.05 0.96 -0.09 0.00 -0.03 0.00 0.00 56.01 56.80 1t6w n LEU 68 Cb 0.50 -1.38 -0.08 0.00 -2.33 0.00 0.00 43.42 40.13 1t6w n LEU 68 CO 0.06 -1.54 -0.14 0.42 -1.33 0.00 0.00 177.39 174.86 1t6w s THR 69 N -1.35 0.15 0.14 -5.08 -4.23 -1.26 -0.96 115.64 103.04 1t6w s THR 69 Ca 0.67 -1.22 -0.27 0.00 -1.18 0.00 0.00 61.69 59.69 1t6w s THR 69 Cb -0.50 -1.26 -0.03 0.00 1.34 0.00 0.00 72.50 72.05 1t6w s THR 69 CO 0.54 -0.67 1.60 0.08 -0.54 0.00 0.00 174.62 175.63 1t6w h ARG 70 N 2.99 -0.41 -0.17 3.99 0.11 -1.95 0.15 114.38 119.10 1t6w h ARG 70 Ca -0.34 0.03 0.05 0.00 0.10 0.00 0.00 59.98 59.82 1t6w h ARG 70 Cb 1.19 0.09 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 1t6w h ARG 70 CO 0.56 -0.28 0.33 0.38 0.10 0.00 0.00 179.97 181.07 1t6w h ASP 71 N -0.43 0.00 1.19 0.08 3.04 -2.01 0.47 116.42 118.75 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 0.58 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.87 1t6w h ASP 71 CO -0.39 0.00 0.00 -0.67 -2.04 0.00 0.00 179.24 176.14 1t6w n ASP 72 N -3.32 0.74 -4.66 4.15 2.03 0.53 -4.72 116.55 111.30 1t6w n ASP 72 Ca 0.02 0.61 -0.43 0.00 0.52 0.00 0.00 54.79 55.50 1t6w n ASP 72 Cb 0.44 -0.79 -0.02 0.00 -0.72 0.00 0.00 41.12 40.03 1t6w n ASP 72 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1t6w s SER 73 N -4.38 7.08 0.00 1.67 0.15 0.16 -4.82 113.70 113.56 1t6w s SER 73 Ca 0.08 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.15 1t6w s SER 73 Cb 0.11 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1t6w s SER 73 CO 0.52 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1t6w n GLY 74 N 3.37 -0.57 3.31 9.45 0.00 0.05 -4.99 105.19 115.81 1t6w n GLY 74 Ca 0.12 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.00 2.63 -0.17 2.61 2.01 -1.26 0.30 115.64 117.75 1t6w s THR 75 Ca 0.00 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 1t6w s THR 75 Cb 0.00 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 1t6w s THR 75 CO 0.00 0.54 0.01 -0.31 -0.69 0.00 0.00 174.62 174.17 1t6w s TYR 76 N 0.26 3.12 -0.18 4.92 1.51 0.13 -4.34 117.35 122.78 1t6w s TYR 76 Ca -0.12 -0.14 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1t6w s TYR 76 Cb -0.16 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.66 1t6w s TYR 76 CO 0.07 0.04 -0.08 -0.80 -1.11 0.00 0.00 175.55 173.67 1t6w s ASN 77 N 0.38 4.18 -0.14 2.29 0.01 0.59 -0.09 114.94 122.16 1t6w s ASN 77 Ca -0.01 -0.37 -0.05 0.00 -0.71 0.00 0.00 52.86 51.73 1t6w s ASN 77 Cb -0.13 -1.69 -0.03 0.00 0.41 0.00 0.00 41.25 39.80 1t6w s ASN 77 CO 0.02 0.05 0.02 -0.69 -1.51 0.00 0.00 177.10 174.99 1t6w s VAL 78 N 1.02 4.43 -0.39 1.60 1.01 0.11 -1.10 120.40 127.08 1t6w s VAL 78 Ca -0.00 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1t6w s VAL 78 Cb -0.15 -2.94 0.11 0.00 0.00 0.00 0.00 36.38 33.41 1t6w s VAL 78 CO -0.01 0.53 0.12 -0.89 0.00 0.00 0.00 175.10 174.85 1t6w s THR 79 N -0.14 2.33 -0.11 3.92 2.01 -0.52 -1.16 115.64 121.98 1t6w s THR 79 Ca 0.05 -2.62 -0.23 0.00 0.31 0.00 0.00 61.69 59.20 1t6w s THR 79 Cb -0.12 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1t6w s THR 79 CO 0.02 -0.66 0.68 -0.69 -0.69 0.00 0.00 174.62 173.28 1t6w s VAL 80 N 0.55 5.03 0.15 3.82 1.01 0.29 -2.22 120.40 129.04 1t6w s VAL 80 Ca 0.13 1.37 0.08 0.00 0.00 0.00 0.00 61.98 63.56 1t6w s VAL 80 Cb -0.21 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1t6w s VAL 80 CO -0.06 0.20 -0.07 -0.31 0.00 0.00 0.00 175.10 174.86 1t6w s TYR 81 N 1.20 2.74 0.69 5.22 1.51 0.14 0.14 117.35 128.98 1t6w s TYR 81 Ca 0.35 -0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.24 1t6w s TYR 81 Cb -0.17 -1.37 0.11 0.00 -0.11 0.00 0.00 41.96 40.42 1t6w s TYR 81 CO 0.15 0.48 0.95 -1.54 -1.11 0.00 0.00 175.55 174.48 1t6w s SER 82 N -2.60 4.54 0.49 2.29 1.04 -0.71 -1.02 113.70 117.73 1t6w s SER 82 Ca 0.24 -0.35 0.33 0.00 0.48 0.00 0.00 55.95 56.64 1t6w s SER 82 Cb -0.10 -0.11 1.47 0.00 0.10 0.00 0.00 66.02 67.38 1t6w s SER 82 CO 0.16 -1.72 1.97 0.71 0.98 0.00 0.00 173.24 175.34 1t6w h THR 83 N -0.39 0.00 -0.35 2.02 1.35 -1.63 -2.08 112.91 111.82 1t6w h THR 83 Ca -0.37 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1t6w h THR 83 Cb 1.27 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1t6w h THR 83 CO 0.42 0.00 0.00 -3.20 -0.25 0.00 0.00 175.52 172.49 1t6w n ASN 84 N -2.82 2.28 -0.73 5.36 5.15 -1.26 -4.88 115.26 118.36 1t6w n ASN 84 Ca 0.00 -2.10 -0.08 0.00 -0.60 0.00 0.00 54.58 51.81 1t6w n ASN 84 Cb 0.22 -0.32 -0.02 0.00 -0.53 0.00 0.00 39.78 39.13 1t6w n ASN 84 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1t6w n GLY 85 N 0.93 0.51 0.00 8.20 0.00 -0.78 -5.03 105.19 109.01 1t6w n GLY 85 Ca 0.13 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1t6w n GLY 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1t6w n THR 86 N -3.40 0.00 -4.01 2.61 -1.04 -1.25 -4.88 114.28 102.31 1t6w n THR 86 Ca -0.08 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.61 1t6w n THR 86 Cb 0.41 -0.84 -0.15 0.00 -1.82 0.00 0.00 70.33 67.93 1t6w n THR 86 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1t6w s ARG 87 N -1.72 1.51 0.06 -2.82 0.52 -1.26 -1.73 118.95 113.51 1t6w s ARG 87 Ca 0.00 -1.90 -0.32 0.00 -0.52 0.00 0.00 55.73 52.99 1t6w s ARG 87 Cb 0.00 -3.23 -0.17 0.00 0.52 0.00 0.00 34.95 32.07 1t6w s ARG 87 CO 0.00 -0.95 1.49 0.82 0.02 0.00 0.00 175.30 176.68 1t6w h ILE 88 N 6.57 0.00 -3.38 1.52 1.08 0.93 -3.46 117.51 120.77 1t6w h ILE 88 Ca -0.04 0.00 -0.19 0.00 -0.39 0.00 0.00 64.86 64.24 1t6w h ILE 88 Cb 1.02 0.00 -0.26 0.00 -3.07 0.00 0.00 36.82 34.50 1t6w h ILE 88 CO 0.53 0.00 -0.54 -0.22 -0.69 0.00 0.00 178.15 177.23 1t6w s LEU 89 N -9.28 1.44 -0.26 1.44 0.20 -1.12 -5.00 118.68 106.10 1t6w s LEU 89 Ca -0.17 0.27 0.02 0.00 0.69 0.00 0.00 54.13 54.95 1t6w s LEU 89 Cb 0.03 0.52 0.06 0.00 -0.43 0.00 0.00 46.19 46.36 1t6w s LEU 89 CO 0.52 -0.07 -0.08 0.21 -0.29 0.00 0.00 176.35 176.64 1t6w s ASN 90 N 0.01 4.31 0.29 3.68 3.84 -1.26 -0.55 114.94 125.26 1t6w s ASN 90 Ca -0.01 -1.39 0.11 0.00 0.21 0.00 0.00 52.86 51.78 1t6w s ASN 90 Cb -0.01 -1.45 -0.05 0.00 -0.55 0.00 0.00 41.25 39.19 1t6w s ASN 90 CO 0.00 -0.22 -0.16 -0.54 -2.79 0.00 0.00 177.10 173.39 1t6w s LYS 91 N 1.17 1.76 -0.04 0.43 -0.14 -0.30 -4.96 119.74 117.66 1t6w s LYS 91 Ca -0.07 -1.77 -0.01 0.00 -1.36 0.00 0.00 55.97 52.76 1t6w s LYS 91 Cb -0.20 -1.79 0.03 0.00 -1.68 0.00 0.00 37.83 34.19 1t6w s LYS 91 CO -0.06 0.30 0.04 0.00 -0.76 0.00 0.00 175.35 174.88 1t6w s ALA 92 N -2.51 0.26 0.31 5.17 0.00 -1.26 0.10 121.76 123.82 1t6w s ALA 92 Ca 0.31 0.18 0.11 0.00 0.00 0.00 0.00 51.96 52.55 1t6w s ALA 92 Cb -0.04 -0.54 -0.06 0.00 0.00 0.00 0.00 23.12 22.49 1t6w s ALA 92 CO 0.16 -0.38 -0.15 -0.51 0.00 0.00 0.00 175.76 174.88 1t6w s LEU 93 N 1.85 2.68 0.02 0.00 1.02 0.87 -4.72 118.68 120.40 1t6w s LEU 93 Ca 0.01 -1.08 0.02 0.00 0.02 0.00 0.00 54.13 53.11 1t6w s LEU 93 Cb -0.12 -1.09 -0.04 0.00 0.02 0.00 0.00 46.19 44.96 1t6w s LEU 93 CO -0.03 -0.06 0.00 -1.81 0.02 0.00 0.00 176.35 174.47 1t6w s ASP 94 N -3.56 5.10 -0.08 2.29 1.11 -1.20 0.21 116.67 120.55 1t6w s ASP 94 Ca 0.31 -0.05 -0.02 0.00 0.18 0.00 0.00 52.55 52.97 1t6w s ASP 94 Cb -0.02 -1.30 0.03 0.00 1.07 0.00 0.00 42.92 42.70 1t6w s ASP 94 CO 0.16 0.25 0.02 -0.22 1.18 0.00 0.00 175.17 176.56 1t6w s LEU 95 N -1.76 0.53 -0.14 1.23 0.20 0.15 0.36 118.68 119.25 1t6w s LEU 95 Ca 0.21 -0.11 0.02 0.00 0.69 0.00 0.00 54.13 54.94 1t6w s LEU 95 Cb -0.12 -0.39 0.01 0.00 -0.43 0.00 0.00 46.19 45.27 1t6w s LEU 95 CO 0.12 -0.22 -0.22 0.00 -0.29 0.00 0.00 176.35 175.75 1t6w s ARG 96 N 2.01 3.02 -0.46 1.98 1.70 -0.48 -0.77 118.95 125.95 1t6w s ARG 96 Ca 0.05 -0.85 -0.12 0.00 -0.47 0.00 0.00 55.73 54.33 1t6w s ARG 96 Cb -0.13 -2.45 0.09 0.00 -0.57 0.00 0.00 34.95 31.89 1t6w s ARG 96 CO -0.05 -0.03 0.35 0.42 -1.08 0.00 0.00 175.30 174.91 1t6w s ILE 97 N 0.85 4.71 0.08 4.99 1.09 -1.26 -1.32 121.20 130.34 1t6w s ILE 97 Ca -0.06 -1.33 -0.31 0.00 -1.10 0.00 0.00 60.65 57.86 1t6w s ILE 97 Cb -0.15 -3.90 -0.08 0.00 -1.06 0.00 0.00 42.46 37.27 1t6w s ILE 97 CO -0.03 -0.60 1.64 -0.76 -0.10 0.00 0.00 174.94 175.09 1t6w s LEU 98 N 1.52 4.37 0.00 2.97 1.43 0.14 -4.58 118.68 124.52 1t6w s LEU 98 Ca 0.04 2.50 0.08 0.00 -1.03 0.00 0.00 54.13 55.72 1t6w s LEU 98 Cb -0.25 -3.57 0.50 0.00 0.03 0.00 0.00 46.19 42.91 1t6w s LEU 98 CO 0.04 -0.88 0.95 -0.62 0.23 0.00 0.00 176.35 176.07