#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w4c s THR 5 N 0.00 4.57 -0.12 3.41 2.01 -1.26 -5.02 115.64 119.23 2w4c s THR 5 Ca 0.00 1.85 -0.06 0.00 0.31 0.00 0.00 61.69 63.79 2w4c s THR 5 Cb 0.00 -4.37 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 2w4c s THR 5 CO 0.00 -0.36 0.10 -0.76 -0.69 0.00 0.00 174.62 172.91 2w4c s LEU 6 N 3.48 4.16 0.21 4.42 1.43 -1.26 -3.54 118.68 127.57 2w4c s LEU 6 Ca 0.45 0.37 0.08 0.00 -1.03 0.00 0.00 54.13 54.00 2w4c s LEU 6 Cb -0.13 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 2w4c s LEU 6 CO 0.12 0.39 -0.15 0.27 0.23 0.00 0.00 176.35 177.21 2w4c s ILE 7 N -0.90 1.78 0.05 -0.59 -4.36 -0.50 -1.12 121.20 115.55 2w4c s ILE 7 Ca 0.14 -2.22 0.09 0.00 -0.26 0.00 0.00 60.65 58.39 2w4c s ILE 7 Cb -0.12 -2.06 -0.03 0.00 1.25 0.00 0.00 42.46 41.51 2w4c s ILE 7 CO 0.03 -0.59 -0.24 -0.55 0.24 0.00 0.00 174.94 173.83 2w4c s SER 8 N -3.33 2.93 -0.09 4.36 0.15 0.25 -1.48 113.70 116.49 2w4c s SER 8 Ca 0.23 -0.57 -0.09 0.00 0.70 0.00 0.00 55.95 56.21 2w4c s SER 8 Cb -0.01 -0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.07 2w4c s SER 8 CO 0.07 0.22 0.25 0.54 1.20 0.00 0.00 173.24 175.53 2w4c s VAL 9 N -0.81 0.01 0.14 4.45 0.11 -0.46 -0.92 120.40 122.92 2w4c s VAL 9 Ca 0.10 -0.06 -0.13 0.00 -2.93 0.00 0.00 61.98 58.96 2w4c s VAL 9 Cb -0.10 -0.38 -0.07 0.00 -1.53 0.00 0.00 36.38 34.31 2w4c s VAL 9 CO 0.02 -0.03 0.53 -1.81 -3.33 0.00 0.00 175.10 170.48 2w4c s ASP 10 N -0.01 6.79 0.05 3.54 1.11 0.11 -1.26 116.67 127.00 2w4c s ASP 10 Ca -0.01 1.03 0.03 0.00 0.18 0.00 0.00 52.55 53.77 2w4c s ASP 10 Cb -0.02 -2.27 -0.03 0.00 1.07 0.00 0.00 42.92 41.67 2w4c s ASP 10 CO 0.01 0.10 -0.09 -0.72 1.18 0.00 0.00 175.17 175.64 2w4c s TYR 11 N -1.48 0.84 -0.06 4.23 1.13 -0.29 -1.51 117.35 120.20 2w4c s TYR 11 Ca 0.38 -0.51 -0.02 0.00 -1.41 0.00 0.00 57.07 55.50 2w4c s TYR 11 Cb -0.15 -0.49 0.04 0.00 -1.10 0.00 0.00 41.96 40.26 2w4c s TYR 11 CO 0.19 -0.05 0.11 -2.00 -2.51 0.00 0.00 175.55 171.30 2w4c s GLU 12 N -1.77 0.02 -0.18 -3.49 2.12 -0.32 -1.37 118.70 113.71 2w4c s GLU 12 Ca -0.06 0.39 -0.04 0.00 0.36 0.00 0.00 54.97 55.62 2w4c s GLU 12 Cb -0.09 -0.28 -0.02 0.00 0.26 0.00 0.00 34.13 34.00 2w4c s GLU 12 CO 0.01 -0.24 -0.04 0.42 -0.54 0.00 0.00 175.26 174.87 2w4c s ILE 13 N 1.65 3.72 0.04 -3.70 -1.09 0.13 -0.80 121.20 121.16 2w4c s ILE 13 Ca -0.03 -0.40 0.03 0.00 -2.23 0.00 0.00 60.65 58.01 2w4c s ILE 13 Cb -0.12 -2.65 -0.04 0.00 -1.58 0.00 0.00 42.46 38.07 2w4c s ILE 13 CO -0.05 0.46 0.01 -0.36 -1.23 0.00 0.00 174.94 173.77 2w4c s PHE 14 N 0.76 3.06 -4.32 3.97 0.08 0.28 -2.23 117.98 119.58 2w4c s PHE 14 Ca -0.01 0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.08 2w4c s PHE 14 Cb -0.14 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.68 2w4c s PHE 14 CO 0.02 0.47 0.00 0.41 -0.10 0.00 0.00 175.22 176.02 2w4c n GLY 15 N 1.03 0.89 3.51 4.36 0.00 -1.26 -0.24 105.19 113.48 2w4c n GLY 15 Ca -0.13 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 2w4c n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2w4c s LYS 16 N -1.73 3.55 0.00 1.61 2.20 0.15 -4.69 119.74 120.84 2w4c s LYS 16 Ca 0.00 -1.33 0.00 0.00 -0.36 0.00 0.00 55.97 54.28 2w4c s LYS 16 Cb 0.00 -5.07 0.00 0.00 -1.51 0.00 0.00 37.83 31.25 2w4c s LYS 16 CO 0.00 -2.01 0.47 1.33 -0.36 0.00 0.00 175.35 174.78 2w4c n VAL 17 N 6.24 0.18 -4.38 4.02 0.24 -1.26 -1.36 118.33 122.02 2w4c n VAL 17 Ca 0.26 -0.42 -0.26 0.00 -2.04 0.00 0.00 64.34 61.88 2w4c n VAL 17 Cb 0.50 1.16 -0.11 0.00 -1.47 0.00 0.00 33.84 33.92 2w4c n VAL 17 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2w4c s GLN 18 N -0.18 1.76 -1.14 7.34 -0.21 -1.26 -4.47 119.66 121.50 2w4c s GLN 18 Ca 0.00 -1.46 0.00 0.00 0.02 0.00 0.00 55.36 53.92 2w4c s GLN 18 Cb 0.00 -1.96 0.00 0.00 1.00 0.00 0.00 33.01 32.05 2w4c s GLN 18 CO 0.00 0.40 0.00 0.41 -2.12 0.00 0.00 175.29 173.98 2w4c n GLY 19 N 0.04 0.84 0.80 3.09 0.00 -1.26 -4.88 105.19 103.81 2w4c n GLY 19 Ca -0.11 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.45 2w4c n GLY 19 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2w4c n VAL 20 N -3.08 0.00 -3.13 1.61 0.24 -1.26 -5.02 118.33 107.68 2w4c n VAL 20 Ca -0.12 -0.29 -0.23 0.00 -2.04 0.00 0.00 64.34 61.66 2w4c n VAL 20 Cb 0.44 0.63 0.03 0.00 -1.47 0.00 0.00 33.84 33.47 2w4c n VAL 20 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2w4c n PHE 21 N 0.14 -2.01 -0.25 6.34 3.72 -1.26 -4.54 117.46 119.60 2w4c n PHE 21 Ca 0.01 0.55 -0.07 0.00 -0.05 0.00 0.00 57.45 57.90 2w4c n PHE 21 Cb 0.82 -4.27 0.05 0.00 -0.94 0.00 0.00 39.48 35.13 2w4c n PHE 21 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2w4c h PHE 22 N -1.42 1.09 -0.23 1.38 3.57 -1.96 -2.55 116.94 116.82 2w4c h PHE 22 Ca -0.52 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 60.82 2w4c h PHE 22 Cb 1.35 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2w4c h PHE 22 CO 0.55 0.85 -0.15 0.00 -2.23 0.00 0.00 178.31 177.34 2w4c h ARG 23 N 1.01 0.50 -0.30 1.11 3.08 -1.90 -0.25 114.38 117.63 2w4c h ARG 23 Ca 0.23 -0.23 0.06 0.00 0.07 0.00 0.00 59.98 60.11 2w4c h ARG 23 Cb 0.24 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 2w4c h ARG 23 CO -0.02 0.79 -0.11 -0.22 -1.07 0.00 0.00 179.97 179.35 2w4c h LYS 24 N 0.20 -0.05 -0.33 0.04 3.64 -1.95 -0.47 116.57 117.66 2w4c h LYS 24 Ca 0.05 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 2w4c h LYS 24 Cb 0.66 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 2w4c h LYS 24 CO 0.04 -0.03 -0.18 0.45 -2.27 0.00 0.00 179.45 177.46 2w4c h HIS 25 N -0.05 0.66 -0.11 1.91 3.86 -1.33 -1.57 115.15 118.51 2w4c h HIS 25 Ca 0.15 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2w4c h HIS 25 Cb 0.28 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 2w4c h HIS 25 CO -0.32 0.74 0.02 1.15 0.86 0.00 0.00 177.93 180.38 2w4c h THR 26 N 0.54 1.21 -0.43 2.45 2.02 -0.62 -1.21 112.91 116.87 2w4c h THR 26 Ca 0.09 -0.66 0.06 0.00 0.77 0.00 0.00 66.41 66.66 2w4c h THR 26 Cb 0.61 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.41 2w4c h THR 26 CO 0.04 0.19 0.15 -0.61 0.37 0.00 0.00 175.52 175.66 2w4c h GLN 27 N -0.03 0.30 -0.43 6.66 4.15 -1.03 0.73 115.11 125.45 2w4c h GLN 27 Ca 0.04 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.45 2w4c h GLN 27 Cb 0.28 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 2w4c h GLN 27 CO 0.00 0.20 0.27 0.00 -1.93 0.00 0.00 178.83 177.37 2w4c h ALA 28 N 1.29 0.55 -0.34 3.38 0.00 -1.11 -0.83 119.26 122.20 2w4c h ALA 28 Ca 0.20 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 2w4c h ALA 28 Cb 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2w4c h ALA 28 CO -0.21 -0.04 -0.26 1.49 0.00 0.00 0.00 179.25 180.22 2w4c h GLU 29 N 0.55 0.77 -0.48 0.00 4.57 -0.95 -0.94 114.58 118.10 2w4c h GLU 29 Ca 0.17 -0.38 0.04 0.00 -1.18 0.00 0.00 59.36 58.00 2w4c h GLU 29 Cb -0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 2w4c h GLU 29 CO -0.06 1.01 0.26 0.78 -1.18 0.00 0.00 179.01 179.81 2w4c h GLY 30 N 0.55 0.67 0.98 1.92 0.00 -0.68 -1.32 103.07 105.19 2w4c h GLY 30 Ca 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2w4c h GLY 30 CO 0.07 0.13 0.24 0.50 0.00 0.00 0.00 176.54 177.48 2w4c h LYS 31 N 0.50 0.78 -0.89 4.80 1.57 -1.03 0.22 116.57 122.53 2w4c h LYS 31 Ca 0.21 -0.12 0.09 0.00 -1.87 0.00 0.00 60.65 58.96 2w4c h LYS 31 Cb 0.09 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.20 2w4c h LYS 31 CO -0.13 0.66 0.58 -0.22 -0.57 0.00 0.00 179.45 179.76 2w4c h LYS 32 N 0.72 0.87 -0.10 3.15 3.64 -0.72 -0.04 116.57 124.09 2w4c h LYS 32 Ca 0.18 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2w4c h LYS 32 Cb 0.14 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2w4c h LYS 32 CO -0.02 0.58 0.00 1.28 -2.27 0.00 0.00 179.45 179.02 2w4c n LEU 33 N -4.53 0.97 -1.25 5.20 4.77 -0.54 -4.91 117.00 116.72 2w4c n LEU 33 Ca 0.15 -0.41 -0.10 0.00 -0.03 0.00 0.00 56.01 55.62 2w4c n LEU 33 Cb 0.30 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2w4c n LEU 33 CO 0.31 0.20 -0.10 0.61 -1.33 0.00 0.00 177.39 177.09 2w4c n GLY 34 N 0.98 -0.01 3.93 -0.72 0.00 -0.03 -4.90 105.19 104.44 2w4c n GLY 34 Ca 0.15 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 2w4c n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2w4c s LEU 35 N -3.04 4.24 0.39 0.99 1.43 0.01 -4.89 118.68 117.81 2w4c s LEU 35 Ca 0.03 0.33 0.08 0.00 -1.03 0.00 0.00 54.13 53.54 2w4c s LEU 35 Cb -0.01 -3.10 -0.08 0.00 0.03 0.00 0.00 46.19 43.03 2w4c s LEU 35 CO 0.04 -0.04 -0.02 0.68 0.23 0.00 0.00 176.35 177.24 2w4c s VAL 36 N -1.88 2.05 -3.78 -1.59 -7.23 -0.93 -4.35 120.40 102.68 2w4c s VAL 36 Ca 0.37 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2w4c s VAL 36 Cb -0.11 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.93 2w4c s VAL 36 CO 0.29 -0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 2w4c n GLY 37 N -0.92 0.65 3.60 2.32 0.00 -0.79 -0.89 105.19 109.17 2w4c n GLY 37 Ca -0.05 -1.57 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 2w4c n GLY 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2w4c s TRP 38 N -3.74 -0.38 -0.01 1.61 1.48 -0.78 -1.66 118.94 115.46 2w4c s TRP 38 Ca 0.00 0.06 -0.04 0.00 -1.06 0.00 0.00 56.10 55.06 2w4c s TRP 38 Cb 0.00 0.61 -0.00 0.00 -1.16 0.00 0.00 33.47 32.92 2w4c s TRP 38 CO 0.00 -1.01 0.08 0.54 -4.06 0.00 0.00 176.95 172.50 2w4c s VAL 39 N -3.82 0.05 0.00 -0.66 0.11 -0.58 -2.54 120.40 112.96 2w4c s VAL 39 Ca 0.05 -0.45 -0.24 0.00 -2.93 0.00 0.00 61.98 58.41 2w4c s VAL 39 Cb -0.03 -0.27 0.05 0.00 -1.53 0.00 0.00 36.38 34.61 2w4c s VAL 39 CO -0.04 -0.25 0.55 -1.58 -3.33 0.00 0.00 175.10 170.45 2w4c s GLN 40 N -0.79 0.99 0.32 1.54 0.74 0.05 -1.07 119.66 121.45 2w4c s GLN 40 Ca -0.09 -0.05 -0.22 0.00 0.05 0.00 0.00 55.36 55.06 2w4c s GLN 40 Cb -0.05 0.46 -0.10 0.00 1.10 0.00 0.00 33.01 34.42 2w4c s GLN 40 CO 0.00 -0.33 0.87 -0.80 -0.55 0.00 0.00 175.29 174.48 2w4c s ASN 41 N -1.59 7.12 0.37 6.67 0.02 -1.26 -0.78 114.94 125.49 2w4c s ASN 41 Ca -0.09 1.64 0.08 0.00 -1.02 0.00 0.00 52.86 53.47 2w4c s ASN 41 Cb -0.01 -2.51 -0.04 0.00 0.02 0.00 0.00 41.25 38.72 2w4c s ASN 41 CO 0.03 -0.12 0.24 0.42 0.02 0.00 0.00 177.10 177.70 2w4c s THR 42 N -1.75 2.90 -1.43 1.60 -4.23 -0.56 -4.90 115.64 107.28 2w4c s THR 42 Ca 0.51 -1.54 0.29 0.00 -1.18 0.00 0.00 61.69 59.78 2w4c s THR 42 Cb -0.15 -3.03 0.51 0.00 1.34 0.00 0.00 72.50 71.17 2w4c s THR 42 CO 0.20 -0.10 2.01 -0.90 -0.54 0.00 0.00 174.62 175.29 2w4c n ASP 43 N -1.31 0.00 -1.67 3.99 3.85 -1.26 -2.23 116.55 117.91 2w4c n ASP 43 Ca -0.01 -0.12 0.06 0.00 -0.71 0.00 0.00 54.79 54.01 2w4c n ASP 43 Cb 0.62 -0.29 0.35 0.00 -1.35 0.00 0.00 41.12 40.45 2w4c n ASP 43 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 2w4c n ARG 44 N -1.29 4.24 -0.84 0.11 1.85 -1.26 -4.94 116.66 114.54 2w4c n ARG 44 Ca 0.14 -2.70 0.00 0.00 -1.00 0.00 0.00 57.85 54.29 2w4c n ARG 44 Cb 0.23 -2.12 0.00 0.00 -1.05 0.00 0.00 32.46 29.53 2w4c n ARG 44 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2w4c n GLY 45 N 0.62 0.76 4.01 2.89 0.00 -0.95 -5.04 105.19 107.48 2w4c n GLY 45 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 2w4c n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2w4c s THR 46 N -2.89 2.24 -0.11 2.61 -4.23 -1.26 -4.55 115.64 107.44 2w4c s THR 46 Ca 0.00 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 59.76 2w4c s THR 46 Cb 0.00 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 2w4c s THR 46 CO 0.00 0.00 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.21 2w4c s VAL 47 N -2.89 2.60 0.19 2.29 1.01 -0.95 -1.49 120.40 121.17 2w4c s VAL 47 Ca 0.63 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2w4c s VAL 47 Cb -0.06 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 2w4c s VAL 47 CO 0.41 0.54 -0.04 0.00 0.00 0.00 0.00 175.10 176.01 2w4c s GLN 48 N 0.28 1.20 0.00 2.72 -2.07 0.04 0.21 119.66 122.04 2w4c s GLN 48 Ca -0.13 -1.57 0.00 0.00 -1.82 0.00 0.00 55.36 51.84 2w4c s GLN 48 Cb -0.16 -0.59 0.00 0.00 -1.09 0.00 0.00 33.01 31.17 2w4c s GLN 48 CO 0.07 -0.03 0.00 0.41 -1.32 0.00 0.00 175.29 174.42 2w4c n GLY 49 N -0.31 -0.72 3.06 2.60 0.00 -0.47 -0.77 105.19 108.58 2w4c n GLY 49 Ca -0.07 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 2w4c n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2w4c s GLN 50 N -0.62 0.59 -0.05 1.61 -0.21 -1.05 -1.14 119.66 118.78 2w4c s GLN 50 Ca 0.00 -0.66 0.06 0.00 0.02 0.00 0.00 55.36 54.79 2w4c s GLN 50 Cb 0.00 -0.45 -0.01 0.00 1.00 0.00 0.00 33.01 33.54 2w4c s GLN 50 CO 0.00 0.10 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.52 2w4c s LEU 51 N -1.23 2.14 -0.02 2.90 1.43 -0.39 -1.87 118.68 121.65 2w4c s LEU 51 Ca -0.05 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2w4c s LEU 51 Cb -0.08 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.76 2w4c s LEU 51 CO 0.01 0.26 -0.03 -1.10 0.23 0.00 0.00 176.35 175.72 2w4c s GLN 52 N -0.28 0.36 0.00 1.70 -0.21 -0.07 -1.35 119.66 119.82 2w4c s GLN 52 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.32 2w4c s GLN 52 Cb -0.13 -0.42 0.00 0.00 1.00 0.00 0.00 33.01 33.46 2w4c s GLN 52 CO 0.03 -0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.60 2w4c n GLY 53 N 3.48 -1.37 3.70 3.09 0.00 -0.55 -2.20 105.19 111.34 2w4c n GLY 53 Ca -0.19 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 2w4c n GLY 53 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2w4c n PRO 54 N 0.00 1.34 -0.09 1.61 -0.02 -1.26 -1.41 135.00 135.17 2w4c n PRO 54 Ca 0.00 0.50 -0.06 0.00 -2.02 0.00 0.00 63.50 61.92 2w4c n PRO 54 Cb 0.00 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.07 2w4c n PRO 54 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2w4c h ILE 55 N 1.01 0.79 -0.36 4.25 2.04 -1.93 -1.63 117.51 121.68 2w4c h ILE 55 Ca -0.50 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 2w4c h ILE 55 Cb 1.33 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 2w4c h ILE 55 CO 0.55 0.02 0.08 0.77 0.00 0.00 0.00 178.15 179.56 2w4c h SER 56 N 0.12 0.49 -0.18 1.72 4.64 -1.93 0.82 113.55 119.24 2w4c h SER 56 Ca 0.15 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 61.24 2w4c h SER 56 Cb 0.19 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2w4c h SER 56 CO -0.24 0.50 -0.52 0.11 -0.87 0.00 0.00 176.83 175.81 2w4c h LYS 57 N 0.52 0.66 -0.52 4.77 1.79 -1.77 -1.90 116.57 120.12 2w4c h LYS 57 Ca 0.12 -0.48 -0.01 0.00 -2.18 0.00 0.00 60.65 58.10 2w4c h LYS 57 Cb 0.22 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 2w4c h LYS 57 CO -0.00 1.10 0.29 0.28 -1.08 0.00 0.00 179.45 180.04 2w4c h VAL 58 N 0.35 1.17 -0.63 0.50 2.07 -0.80 -2.22 116.25 116.69 2w4c h VAL 58 Ca -0.02 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2w4c h VAL 58 Cb 1.14 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2w4c h VAL 58 CO 0.11 0.18 0.37 0.03 0.02 0.00 0.00 177.57 178.29 2w4c h ARG 59 N 0.69 0.86 -0.48 1.57 2.47 -0.80 0.94 114.38 119.62 2w4c h ARG 59 Ca 0.18 -0.08 0.06 0.00 -1.26 0.00 0.00 59.98 58.88 2w4c h ARG 59 Cb 0.04 -0.18 -0.05 0.00 -1.65 0.00 0.00 29.97 28.13 2w4c h ARG 59 CO -0.03 0.63 0.19 1.25 0.56 0.00 0.00 179.97 182.56 2w4c h HIS 60 N 0.85 0.33 -0.60 3.04 2.76 -1.22 -1.53 115.15 118.78 2w4c h HIS 60 Ca 0.22 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.38 2w4c h HIS 60 Cb -0.01 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 28.85 2w4c h HIS 60 CO -0.02 0.13 0.22 1.98 -1.30 0.00 0.00 177.93 178.94 2w4c h MET 61 N 0.37 0.92 -0.73 5.26 1.85 -0.81 -1.59 114.93 120.21 2w4c h MET 61 Ca 0.23 -0.18 0.09 0.00 -0.61 0.00 0.00 59.70 59.22 2w4c h MET 61 Cb 0.22 -0.14 -0.07 0.00 0.43 0.00 0.00 31.60 32.04 2w4c h MET 61 CO -0.22 0.80 0.38 1.96 -0.40 0.00 0.00 176.91 179.44 2w4c h GLN 62 N 0.85 0.64 -0.72 0.39 4.20 -0.43 -0.48 115.11 119.56 2w4c h GLN 62 Ca 0.20 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 2w4c h GLN 62 Cb 0.24 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2w4c h GLN 62 CO -0.01 0.42 0.44 0.93 -0.67 0.00 0.00 178.83 179.94 2w4c h GLU 63 N 0.66 0.97 -0.95 1.46 5.08 -0.76 -2.02 114.58 119.02 2w4c h GLU 63 Ca 0.35 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 2w4c h GLU 63 Cb 0.33 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 2w4c h GLU 63 CO -0.25 0.69 0.63 2.35 -1.00 0.00 0.00 179.01 181.43 2w4c h TRP 64 N 0.98 1.18 0.00 4.33 7.01 -0.57 -1.86 115.95 127.02 2w4c h TRP 64 Ca 0.26 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.29 2w4c h TRP 64 Cb -0.04 -0.40 0.00 0.00 -2.10 0.00 0.00 29.16 26.62 2w4c h TRP 64 CO -0.01 0.73 0.00 -0.07 -2.79 0.00 0.00 178.44 176.30 2w4c h LEU 65 N 1.26 0.00 0.16 0.65 3.38 -0.67 -0.73 115.31 119.35 2w4c h LEU 65 Ca 0.36 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.98 2w4c h LEU 65 Cb -0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2w4c h LEU 65 CO -0.09 0.00 -1.81 -0.33 0.09 0.00 0.00 178.44 176.30 2w4c h GLU 66 N 0.00 0.33 0.00 1.13 5.08 -0.64 -3.43 114.58 117.05 2w4c h GLU 66 Ca 0.00 -0.56 -0.04 0.00 -1.00 0.00 0.00 59.36 57.76 2w4c h GLU 66 Cb 0.54 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2w4c h GLU 66 CO 0.00 1.24 -1.31 0.25 -1.00 0.00 0.00 179.01 178.19 2w4c n THR 67 N -3.52 0.15 0.00 1.13 -2.24 -0.92 -4.84 114.28 104.03 2w4c n THR 67 Ca -0.26 -0.17 -0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2w4c n THR 67 Cb 1.06 -0.10 -0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2w4c n THR 67 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2w4c n ARG 68 N -1.90 0.01 0.00 -0.78 1.74 -0.35 -4.92 116.66 110.46 2w4c n ARG 68 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2w4c n ARG 68 Cb 0.36 -0.19 0.00 0.00 -1.02 0.00 0.00 32.46 31.60 2w4c n ARG 68 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2w4c n GLY 69 N 2.95 1.10 3.86 -0.13 0.00 -0.78 -4.70 105.19 107.50 2w4c n GLY 69 Ca -0.00 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 2w4c n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2w4c s SER 70 N -4.00 6.45 0.28 1.61 1.04 -1.26 -4.96 113.70 112.85 2w4c s SER 70 Ca 0.00 1.36 0.01 0.00 0.48 0.00 0.00 55.95 57.80 2w4c s SER 70 Cb 0.00 -2.43 0.59 0.00 0.10 0.00 0.00 66.02 64.28 2w4c s SER 70 CO 0.00 -0.63 1.79 -0.65 0.98 0.00 0.00 173.24 174.74 2w4c h PRO 71 N 0.56 0.78 -0.17 4.02 0.11 -1.84 -0.70 132.00 134.77 2w4c h PRO 71 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2w4c h PRO 71 Cb 1.19 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2w4c h PRO 71 CO 0.62 0.52 0.00 1.63 -0.21 0.00 0.00 178.00 180.56 2w4c n LYS 72 N -4.74 1.56 -3.19 1.05 5.02 -1.26 -4.93 118.16 111.66 2w4c n LYS 72 Ca 0.19 -0.85 -0.29 0.00 -2.02 0.00 0.00 58.31 55.34 2w4c n LYS 72 Cb 0.43 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 2w4c n LYS 72 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2w4c s SER 73 N -1.38 6.49 -0.23 4.39 1.04 -0.27 -4.98 113.70 118.76 2w4c s SER 73 Ca 0.27 0.88 -0.01 0.00 0.48 0.00 0.00 55.95 57.56 2w4c s SER 73 Cb 0.14 -2.21 0.07 0.00 0.10 0.00 0.00 66.02 64.11 2w4c s SER 73 CO 0.21 -0.25 0.02 -1.00 0.98 0.00 0.00 173.24 173.20 2w4c s HIS 74 N -2.15 1.68 -0.22 5.02 3.76 -0.46 -4.92 115.29 117.99 2w4c s HIS 74 Ca 0.47 -1.38 -0.18 0.00 -0.15 0.00 0.00 55.06 53.82 2w4c s HIS 74 Cb -0.11 -1.39 -0.03 0.00 1.11 0.00 0.00 32.58 32.16 2w4c s HIS 74 CO 0.29 -0.73 0.51 0.42 -0.85 0.00 0.00 174.74 174.38 2w4c s ILE 75 N 1.64 5.10 -0.08 0.60 1.01 -1.26 0.32 121.20 128.53 2w4c s ILE 75 Ca -0.00 0.90 -0.12 0.00 0.00 0.00 0.00 60.65 61.43 2w4c s ILE 75 Cb -0.18 -3.83 -0.29 0.00 0.01 0.00 0.00 42.46 38.18 2w4c s ILE 75 CO -0.11 0.15 0.59 0.44 0.00 0.00 0.00 174.94 176.01 2w4c h ASP 76 N 7.67 0.51 -3.31 3.58 3.32 -0.95 -3.48 116.42 123.75 2w4c h ASP 76 Ca -0.32 -0.91 0.03 0.00 0.02 0.00 0.00 57.03 55.85 2w4c h ASP 76 Cb 1.15 -0.17 -0.24 0.00 0.22 0.00 0.00 39.33 40.30 2w4c h ASP 76 CO 0.73 1.74 0.25 -0.75 -1.72 0.00 0.00 179.24 179.49 2w4c s LYS 77 N -2.54 0.63 -0.28 3.56 2.47 -1.10 -5.01 119.74 117.48 2w4c s LYS 77 Ca -0.18 0.86 -0.05 0.00 -1.56 0.00 0.00 55.97 55.04 2w4c s LYS 77 Cb 0.05 0.25 0.01 0.00 -1.46 0.00 0.00 37.83 36.68 2w4c s LYS 77 CO 0.81 -0.09 0.04 0.00 0.16 0.00 0.00 175.35 176.27 2w4c s ALA 78 N 0.73 2.97 -0.21 3.13 0.00 -1.26 -0.56 121.76 126.56 2w4c s ALA 78 Ca -0.02 -1.43 -0.17 0.00 0.00 0.00 0.00 51.96 50.33 2w4c s ALA 78 Cb -0.05 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 2w4c s ALA 78 CO -0.08 -0.86 0.45 -0.80 0.00 0.00 0.00 175.76 174.47 2w4c s ASN 79 N 1.46 6.47 -0.04 0.00 0.01 0.02 -4.96 114.94 117.90 2w4c s ASN 79 Ca 0.02 0.56 0.01 0.00 -0.71 0.00 0.00 52.86 52.74 2w4c s ASN 79 Cb -0.17 -2.26 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 2w4c s ASN 79 CO 0.01 -0.15 -0.03 -0.36 -1.51 0.00 0.00 177.10 175.05 2w4c s PHE 80 N 1.62 3.02 0.03 2.20 0.08 -1.26 -1.18 117.98 122.49 2w4c s PHE 80 Ca 0.21 0.07 -0.17 0.00 0.12 0.00 0.00 56.93 57.16 2w4c s PHE 80 Cb -0.15 -1.70 0.03 0.00 -0.57 0.00 0.00 43.02 40.63 2w4c s PHE 80 CO 0.09 0.41 0.37 1.21 -0.10 0.00 0.00 175.22 177.20 2w4c s ASN 81 N -1.16 -0.23 -1.46 1.36 2.47 -0.57 -4.94 114.94 110.41 2w4c s ASN 81 Ca 0.15 -0.03 -0.05 0.00 0.42 0.00 0.00 52.86 53.36 2w4c s ASN 81 Cb -0.11 0.39 0.01 0.00 -1.45 0.00 0.00 41.25 40.09 2w4c s ASN 81 CO 0.05 -0.62 0.63 0.59 -3.72 0.00 0.00 177.10 174.03 2w4c n ASN 82 N 0.63 -5.94 -4.70 -4.21 3.02 -1.26 -0.71 115.26 102.09 2w4c n ASN 82 Ca -0.19 -0.29 -0.42 0.00 -0.03 0.00 0.00 54.58 53.65 2w4c n ASN 82 Cb 0.59 -4.74 -0.03 0.00 -0.61 0.00 0.00 39.78 34.99 2w4c n ASN 82 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2w4c s GLU 83 N -5.69 4.19 -0.06 3.52 2.12 -1.26 -4.43 118.70 117.10 2w4c s GLU 83 Ca 0.31 2.37 -0.19 0.00 0.36 0.00 0.00 54.97 57.82 2w4c s GLU 83 Cb -0.14 -3.46 0.04 0.00 0.26 0.00 0.00 34.13 30.83 2w4c s GLU 83 CO 0.38 -0.71 0.44 -1.59 -0.54 0.00 0.00 175.26 173.24 2w4c s LYS 84 N 2.18 0.74 0.33 4.30 -2.85 -0.10 -4.99 119.74 119.35 2w4c s LYS 84 Ca 0.73 0.10 -0.29 0.00 -1.00 0.00 0.00 55.97 55.52 2w4c s LYS 84 Cb -0.42 0.34 -0.10 0.00 -2.06 0.00 0.00 37.83 35.59 2w4c s LYS 84 CO 0.32 -0.20 1.34 0.08 0.10 0.00 0.00 175.35 176.99 2w4c s VAL 85 N -0.96 2.65 0.15 1.79 1.01 -1.26 -0.59 120.40 123.19 2w4c s VAL 85 Ca -0.10 0.64 0.09 0.00 0.00 0.00 0.00 61.98 62.61 2w4c s VAL 85 Cb -0.03 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2w4c s VAL 85 CO 0.05 0.15 -0.20 0.27 0.00 0.00 0.00 175.10 175.37 2w4c s ILE 86 N -1.03 1.84 0.20 2.22 -4.36 -0.28 -4.86 121.20 114.93 2w4c s ILE 86 Ca 0.50 -1.80 -0.03 0.00 -0.26 0.00 0.00 60.65 59.06 2w4c s ILE 86 Cb -0.41 -1.78 -0.04 0.00 1.25 0.00 0.00 42.46 41.49 2w4c s ILE 86 CO 0.53 -0.20 1.53 -0.07 0.24 0.00 0.00 174.94 176.96 2w4c h LEU 87 N 3.53 0.64 -7.00 0.37 3.38 -1.97 -3.40 115.31 110.86 2w4c h LEU 87 Ca -0.44 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.23 2w4c h LEU 87 Cb 1.20 -0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.61 2w4c h LEU 87 CO 0.47 1.03 0.33 -1.59 0.09 0.00 0.00 178.44 178.77 2w4c s LYS 88 N -4.09 1.02 0.35 1.13 -2.85 -1.26 -5.00 119.74 109.04 2w4c s LYS 88 Ca -0.08 -0.22 -0.28 0.00 -1.00 0.00 0.00 55.97 54.39 2w4c s LYS 88 Cb 0.12 0.47 -0.12 0.00 -2.06 0.00 0.00 37.83 36.24 2w4c s LYS 88 CO 0.84 -0.41 1.43 1.28 0.10 0.00 0.00 175.35 178.59 2w4c n LEU 89 N 0.01 4.23 0.00 2.77 4.77 -1.26 -4.92 117.00 122.60 2w4c n LEU 89 Ca -0.14 1.21 0.12 0.00 -0.03 0.00 0.00 56.01 57.17 2w4c n LEU 89 Cb 0.62 -1.56 0.31 0.00 -2.33 0.00 0.00 43.42 40.46 2w4c n LEU 89 CO 0.14 -0.09 0.54 0.47 -1.33 0.00 0.00 177.39 177.12 2w4c n ASP 90 N 0.89 0.42 -4.18 -1.43 8.00 -1.26 -4.94 116.55 114.05 2w4c n ASP 90 Ca 0.04 -0.10 -0.18 0.00 0.71 0.00 0.00 54.79 55.26 2w4c n ASP 90 Cb 0.37 0.11 -0.12 0.00 -0.02 0.00 0.00 41.12 41.47 2w4c n ASP 90 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2w4c s TYR 91 N -3.01 1.23 -0.77 1.24 1.51 -1.26 -5.05 117.35 111.24 2w4c s TYR 91 Ca 0.11 -0.50 0.08 0.00 -1.01 0.00 0.00 57.07 55.76 2w4c s TYR 91 Cb 0.18 -0.68 0.19 0.00 -0.11 0.00 0.00 41.96 41.54 2w4c s TYR 91 CO 0.67 0.07 1.09 -1.13 -1.11 0.00 0.00 175.55 175.14 2w4c n SER 92 N 1.07 2.47 -2.76 2.29 3.41 -1.26 -4.85 113.62 113.98 2w4c n SER 92 Ca -0.20 -1.85 -0.07 0.00 -0.26 0.00 0.00 58.87 56.49 2w4c n SER 92 Cb 0.55 -0.13 0.03 0.00 -0.26 0.00 0.00 64.21 64.39 2w4c n SER 92 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2w4c n ASP 93 N 0.31 -1.99 -4.09 4.04 3.85 -1.26 -5.05 116.55 112.35 2w4c n ASP 93 Ca 0.08 -2.31 -0.33 0.00 -0.71 0.00 0.00 54.79 51.52 2w4c n ASP 93 Cb 0.34 3.30 -0.14 0.00 -1.35 0.00 0.00 41.12 43.27 2w4c n ASP 93 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 2w4c s PHE 94 N -2.63 3.40 -0.11 2.11 2.19 -1.26 -1.89 117.98 119.80 2w4c s PHE 94 Ca 0.16 -2.36 -0.06 0.00 0.33 0.00 0.00 56.93 55.00 2w4c s PHE 94 Cb -0.04 -2.31 -0.04 0.00 -1.31 0.00 0.00 43.02 39.32 2w4c s PHE 94 CO 0.09 -0.88 0.13 -0.65 1.83 0.00 0.00 175.22 175.74 2w4c s GLN 95 N 1.10 3.39 -0.31 10.12 -1.52 -0.66 -4.93 119.66 126.85 2w4c s GLN 95 Ca -0.02 -0.16 -0.23 0.00 -1.95 0.00 0.00 55.36 53.00 2w4c s GLN 95 Cb -0.20 -3.15 -0.00 0.00 -0.22 0.00 0.00 33.01 29.44 2w4c s GLN 95 CO -0.04 0.77 0.76 0.42 -0.25 0.00 0.00 175.29 176.94 2w4c s ILE 96 N -1.02 4.82 -0.48 1.08 1.01 -1.26 -1.52 121.20 123.83 2w4c s ILE 96 Ca 0.15 1.11 -0.20 0.00 0.00 0.00 0.00 60.65 61.72 2w4c s ILE 96 Cb -0.12 -4.12 0.04 0.00 0.01 0.00 0.00 42.46 38.27 2w4c s ILE 96 CO 0.04 -0.23 0.64 -0.69 0.00 0.00 0.00 174.94 174.70 2w4c s VAL 97 N 2.89 4.83 0.00 2.92 1.01 -0.23 -4.97 120.40 126.86 2w4c s VAL 97 Ca 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2w4c s VAL 97 Cb -0.14 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.98 2w4c s VAL 97 CO 0.12 -0.72 0.00 0.00 0.00 0.00 0.00 175.10 174.50