#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a4c n GLY 1 N 0.00 2.79 3.65 5.00 0.00 -1.26 -5.04 105.19 110.34 2a4c n GLY 1 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2a4c n GLY 1 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2a4c n TRP 2 N -2.00 1.10 -4.14 1.61 7.02 -1.26 -5.01 117.44 114.75 2a4c n TRP 2 Ca 0.00 0.41 -0.29 0.00 -1.02 0.00 0.00 57.50 56.61 2a4c n TRP 2 Cb 0.00 -2.15 -0.17 0.00 -2.42 0.00 0.00 31.31 26.57 2a4c n TRP 2 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 2a4c s VAL 3 N -1.62 1.39 0.00 -0.99 1.01 -1.26 -4.99 120.40 113.93 2a4c s VAL 3 Ca 0.77 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2a4c s VAL 3 Cb -0.37 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.69 2a4c s VAL 3 CO 0.46 0.43 0.00 0.79 0.00 0.00 0.00 175.10 176.78 2a4c n TRP 4 N 4.60 0.00 -1.76 5.22 7.02 -1.26 -4.87 117.44 126.39 2a4c n TRP 4 Ca -0.17 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 55.93 2a4c n TRP 4 Cb 0.50 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.37 2a4c n TRP 4 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2a4c n ASN 5 N -0.71 8.03 -3.95 -0.99 6.94 -1.26 -4.84 115.26 118.49 2a4c n ASN 5 Ca 0.00 -2.99 -0.11 0.00 -0.02 0.00 0.00 54.58 51.46 2a4c n ASN 5 Cb 0.00 -1.40 -0.12 0.00 -2.36 0.00 0.00 39.78 35.89 2a4c n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2a4c s GLN 6 N -0.34 0.25 0.49 -3.83 -2.07 -1.26 -2.08 119.66 110.82 2a4c s GLN 6 Ca 0.59 -0.38 0.05 0.00 -1.82 0.00 0.00 55.36 53.80 2a4c s GLN 6 Cb 0.20 -0.05 -0.01 0.00 -1.09 0.00 0.00 33.01 32.06 2a4c s GLN 6 CO -0.09 0.00 0.21 -0.06 -1.32 0.00 0.00 175.29 174.03 2a4c s PHE 7 N -0.80 2.04 0.04 9.60 0.40 0.08 -4.95 117.98 124.39 2a4c s PHE 7 Ca -0.08 -0.78 -0.10 0.00 -0.60 0.00 0.00 56.93 55.37 2a4c s PHE 7 Cb -0.06 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.63 2a4c s PHE 7 CO -0.00 -0.05 0.22 -0.59 0.70 0.00 0.00 175.22 175.49 2a4c s PHE 8 N -2.74 0.02 -0.07 0.36 -0.12 -1.26 -1.40 117.98 112.77 2a4c s PHE 8 Ca 0.29 -0.22 0.02 0.00 -0.05 0.00 0.00 56.93 56.96 2a4c s PHE 8 Cb 0.01 -0.00 0.02 0.00 -0.63 0.00 0.00 43.02 42.41 2a4c s PHE 8 CO 0.17 -0.44 -0.11 0.14 -0.05 0.00 0.00 175.22 174.93 2a4c s VAL 9 N -2.52 1.08 -0.36 -2.49 -7.23 -0.71 -4.86 120.40 103.31 2a4c s VAL 9 Ca -0.05 -0.42 -0.20 0.00 -1.81 0.00 0.00 61.98 59.50 2a4c s VAL 9 Cb -0.01 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 35.92 2a4c s VAL 9 CO -0.04 0.35 0.61 -0.51 -0.31 0.00 0.00 175.10 175.20 2a4c s ILE 10 N 0.87 4.92 -0.07 -0.62 -1.16 -1.26 -0.09 121.20 123.78 2a4c s ILE 10 Ca -0.11 0.52 -0.24 0.00 -0.51 0.00 0.00 60.65 60.31 2a4c s ILE 10 Cb -0.15 -4.05 -0.19 0.00 0.61 0.00 0.00 42.46 38.67 2a4c s ILE 10 CO 0.01 -0.30 0.94 1.05 -2.81 0.00 0.00 174.94 173.84 2a4c h GLU 11 N 8.47 -0.09 -0.46 3.50 4.11 -1.84 -2.08 114.58 126.19 2a4c h GLU 11 Ca -0.27 0.01 0.13 0.00 0.07 0.00 0.00 59.36 59.30 2a4c h GLU 11 Cb 1.11 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2a4c h GLU 11 CO 0.82 0.49 0.82 1.05 0.07 0.00 0.00 179.01 182.27 2a4c h GLU 12 N -0.78 0.00 0.00 1.06 4.11 -1.85 4.01 114.58 121.13 2a4c h GLU 12 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2a4c h GLU 12 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2a4c h GLU 12 CO 0.01 0.00 0.00 1.88 0.07 0.00 0.00 179.01 180.97 2a4c h TYR 13 N 0.00 0.00 -3.97 2.06 0.99 -1.78 -3.44 116.97 110.83 2a4c h TYR 13 Ca 0.22 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 60.45 2a4c h TYR 13 Cb 1.86 0.00 0.04 0.00 1.00 0.00 0.00 36.73 39.63 2a4c h TYR 13 CO 0.00 0.00 0.26 0.95 -0.00 0.00 0.00 178.16 179.37 2a4c s THR 14 N -3.52 4.77 -3.59 -2.88 -4.23 1.32 -4.85 115.64 102.66 2a4c s THR 14 Ca 0.01 0.64 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 2a4c s THR 14 Cb 0.09 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.10 2a4c s THR 14 CO 0.40 -0.90 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 2a4c n GLY 15 N -2.23 -0.52 0.22 3.99 0.00 -1.07 -4.61 105.19 100.97 2a4c n GLY 15 Ca 0.04 -0.93 -0.00 0.00 0.00 0.00 0.00 46.02 45.12 2a4c n GLY 15 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2a4c h PRO 16 N 0.00 0.15 -6.38 1.61 0.11 -1.86 -3.18 132.00 122.46 2a4c h PRO 16 Ca 0.00 -0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.56 2a4c h PRO 16 Cb 0.00 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.08 2a4c h PRO 16 CO 0.00 0.10 1.00 -0.51 -0.21 0.00 0.00 178.00 178.38 2a4c s ASP 17 N -5.26 6.67 0.21 -2.05 1.01 -1.26 -4.78 116.67 111.22 2a4c s ASP 17 Ca -0.13 2.34 -0.30 0.00 0.71 0.00 0.00 52.55 55.17 2a4c s ASP 17 Cb 0.18 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.46 2a4c s ASP 17 CO 0.73 -0.87 1.40 -2.84 0.21 0.00 0.00 175.17 173.80 2a4c s PRO 18 N 3.06 4.31 0.08 8.23 0.02 -1.26 -4.87 135.00 144.58 2a4c s PRO 18 Ca 0.72 2.19 0.06 0.00 0.02 0.00 0.00 61.00 64.00 2a4c s PRO 18 Cb -0.36 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 30.96 2a4c s PRO 18 CO 0.30 -0.37 -0.10 0.14 -0.33 0.00 0.00 177.00 176.65 2a4c s VAL 19 N 0.20 3.38 -0.00 3.83 -7.23 -0.85 -4.92 120.40 114.82 2a4c s VAL 19 Ca 0.59 -1.18 -0.30 0.00 -1.81 0.00 0.00 61.98 59.28 2a4c s VAL 19 Cb -0.40 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 33.94 2a4c s VAL 19 CO 0.39 0.17 1.30 -0.22 -0.31 0.00 0.00 175.10 176.44 2a4c s LEU 20 N -2.02 4.32 -0.19 1.32 2.96 -1.26 -0.85 118.68 122.95 2a4c s LEU 20 Ca 0.20 2.01 -0.10 0.00 -0.22 0.00 0.00 54.13 56.03 2a4c s LEU 20 Cb -0.11 -3.56 -0.21 0.00 0.50 0.00 0.00 46.19 42.81 2a4c s LEU 20 CO 0.12 -0.63 0.11 0.52 -1.32 0.00 0.00 176.35 175.15 2a4c n VAL 21 N 4.49 1.63 -2.92 1.68 0.31 0.13 -4.90 118.33 118.74 2a4c n VAL 21 Ca 0.12 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 2a4c n VAL 21 Cb 0.45 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 2a4c n VAL 21 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2a4c n GLY 22 N 1.79 -1.49 2.87 2.92 0.00 -1.21 -4.43 105.19 105.63 2a4c n GLY 22 Ca -0.38 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 2a4c n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a4c s ARG 23 N -1.34 0.84 0.25 1.61 3.52 -1.26 0.11 118.95 122.68 2a4c s ARG 23 Ca 0.00 -0.07 -0.30 0.00 -0.13 0.00 0.00 55.73 55.24 2a4c s ARG 23 Cb 0.00 -0.93 -0.09 0.00 -1.56 0.00 0.00 34.95 32.36 2a4c s ARG 23 CO 0.00 -0.15 1.09 -0.51 -0.81 0.00 0.00 175.30 174.92 2a4c s LEU 24 N 1.23 4.55 -0.29 -0.88 1.43 0.99 -4.97 118.68 120.74 2a4c s LEU 24 Ca -0.06 2.21 -0.14 0.00 -1.03 0.00 0.00 54.13 55.11 2a4c s LEU 24 Cb -0.14 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.58 2a4c s LEU 24 CO -0.02 -0.14 0.78 -2.28 0.23 0.00 0.00 176.35 174.92 2a4c s HIS 25 N -0.95 -0.98 0.03 0.29 2.46 -1.26 -4.49 115.29 110.39 2a4c s HIS 25 Ca 0.45 1.85 -0.02 0.00 0.47 0.00 0.00 55.06 57.82 2a4c s HIS 25 Cb -0.31 0.59 -0.04 0.00 -0.13 0.00 0.00 32.58 32.69 2a4c s HIS 25 CO 0.39 -0.49 0.21 0.45 -2.47 0.00 0.00 174.74 172.83 2a4c s SER 26 N 1.98 6.37 0.00 9.88 0.15 -1.26 -5.00 113.70 125.83 2a4c s SER 26 Ca -0.08 0.32 0.22 0.00 0.70 0.00 0.00 55.95 57.11 2a4c s SER 26 Cb -0.07 -1.99 1.08 0.00 -1.71 0.00 0.00 66.02 63.34 2a4c s SER 26 CO -0.18 0.21 1.69 -0.90 1.20 0.00 0.00 173.24 175.26 2a4c n ASP 27 N 0.58 0.00 0.02 5.45 3.85 -1.26 -2.27 116.55 122.92 2a4c n ASP 27 Ca -0.08 0.01 0.11 0.00 -0.71 0.00 0.00 54.79 54.12 2a4c n ASP 27 Cb 0.52 -0.30 0.08 0.00 -1.35 0.00 0.00 41.12 40.07 2a4c n ASP 27 CO 0.00 0.00 0.00 2.30 -1.01 0.00 0.00 177.20 178.49 2a4c n ILE 28 N -1.30 0.11 -1.55 2.12 -6.64 -1.26 -4.81 119.36 106.03 2a4c n ILE 28 Ca 0.10 -0.14 -0.42 0.00 -1.77 0.00 0.00 62.75 60.52 2a4c n ILE 28 Cb 0.18 0.31 -0.04 0.00 -1.44 0.00 0.00 39.64 38.64 2a4c n ILE 28 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 2a4c n ASP 29 N -1.77 2.61 0.01 7.28 -0.08 -0.96 -4.81 116.55 118.82 2a4c n ASP 29 Ca 0.03 -0.03 0.14 0.00 -1.51 0.00 0.00 54.79 53.42 2a4c n ASP 29 Cb 0.39 -1.49 0.58 0.00 2.34 0.00 0.00 41.12 42.94 2a4c n ASP 29 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2a4c n SER 30 N 12.92 0.12 0.00 1.67 3.41 -1.26 -4.91 113.62 125.57 2a4c n SER 30 Ca 0.36 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 2a4c n SER 30 Cb 0.43 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 2a4c n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a4c n GLY 31 N 1.48 0.55 0.00 5.00 0.00 -1.26 -4.92 105.19 106.03 2a4c n GLY 31 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.13 2a4c n GLY 31 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2a4c n ASP 32 N 0.00 0.00 -1.42 1.61 5.75 -1.26 -4.86 116.55 116.37 2a4c n ASP 32 Ca 0.00 0.22 -0.14 0.00 -0.01 0.00 0.00 54.79 54.86 2a4c n ASP 32 Cb 0.00 -0.33 -0.02 0.00 -1.03 0.00 0.00 41.12 39.74 2a4c n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a4c n GLY 33 N -0.50 0.30 1.49 6.12 0.00 -1.26 -4.91 105.19 106.43 2a4c n GLY 33 Ca 0.04 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.77 2a4c n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2a4c n ASN 34 N -0.52 4.59 -4.26 1.61 3.02 -1.26 -4.88 115.26 113.57 2a4c n ASN 34 Ca -0.16 -3.10 -0.26 0.00 -0.03 0.00 0.00 54.58 51.03 2a4c n ASN 34 Cb 0.57 -0.65 -0.14 0.00 -0.61 0.00 0.00 39.78 38.95 2a4c n ASN 34 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2a4c s ILE 35 N -2.89 1.72 -0.13 2.41 2.07 -1.26 -1.98 121.20 121.14 2a4c s ILE 35 Ca 0.50 -1.21 0.02 0.00 -1.41 0.00 0.00 60.65 58.54 2a4c s ILE 35 Cb 0.40 -1.49 0.02 0.00 0.13 0.00 0.00 42.46 41.51 2a4c s ILE 35 CO 0.11 0.24 -0.17 -0.75 -1.91 0.00 0.00 174.94 172.47 2a4c s LYS 36 N -1.15 2.44 -0.25 3.50 2.20 0.16 -4.65 119.74 121.99 2a4c s LYS 36 Ca 0.08 -0.63 -0.16 0.00 -0.36 0.00 0.00 55.97 54.90 2a4c s LYS 36 Cb -0.09 -2.08 -0.04 0.00 -1.51 0.00 0.00 37.83 34.12 2a4c s LYS 36 CO 0.02 -0.09 0.40 0.71 -0.36 0.00 0.00 175.35 176.02 2a4c s TYR 37 N 1.06 3.28 -0.29 4.03 1.51 -0.81 -1.38 117.35 124.76 2a4c s TYR 37 Ca -0.04 0.49 -0.07 0.00 -1.01 0.00 0.00 57.07 56.44 2a4c s TYR 37 Cb -0.15 -2.58 -0.00 0.00 -0.11 0.00 0.00 41.96 39.12 2a4c s TYR 37 CO -0.04 -0.19 0.09 0.42 -1.11 0.00 0.00 175.55 174.72 2a4c s ILE 38 N 1.94 4.14 -0.13 2.71 1.01 -0.65 -4.44 121.20 125.78 2a4c s ILE 38 Ca 0.17 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 60.16 2a4c s ILE 38 Cb -0.15 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.19 2a4c s ILE 38 CO 0.09 0.14 0.30 -0.22 0.00 0.00 0.00 174.94 175.25 2a4c s LEU 39 N 1.55 4.30 0.27 2.97 2.96 -1.26 -1.95 118.68 127.52 2a4c s LEU 39 Ca 0.04 0.58 0.01 0.00 -0.22 0.00 0.00 54.13 54.53 2a4c s LEU 39 Cb -0.17 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.12 2a4c s LEU 39 CO 0.03 0.17 0.27 -0.94 -1.32 0.00 0.00 176.35 174.56 2a4c s SER 40 N 0.06 0.79 0.00 3.68 1.04 -0.80 -4.88 113.70 113.60 2a4c s SER 40 Ca 0.18 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.11 2a4c s SER 40 Cb -0.13 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2a4c s SER 40 CO 0.05 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2a4c n GLY 41 N -0.45 -0.82 3.63 7.32 0.00 -1.26 0.24 105.19 113.84 2a4c n GLY 41 Ca 0.03 -2.16 -0.49 0.00 0.00 0.00 0.00 46.02 43.41 2a4c n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2a4c n GLU 42 N 0.00 1.90 -0.95 1.61 1.02 -0.54 -1.52 120.64 122.16 2a4c n GLU 42 Ca 0.00 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2a4c n GLU 42 Cb 0.00 -2.66 0.00 0.00 -0.02 0.00 0.00 31.44 28.76 2a4c n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a4c n GLY 43 N 4.96 0.77 3.74 0.62 0.00 -1.26 -4.66 105.19 109.37 2a4c n GLY 43 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 2a4c n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a4c s ALA 44 N -3.20 3.63 0.00 4.61 0.00 -0.58 -0.77 121.76 125.45 2a4c s ALA 44 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2a4c s ALA 44 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2a4c s ALA 44 CO 0.00 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.43 2a4c n GLY 45 N 2.23 0.79 0.02 0.00 0.00 0.58 -4.77 105.19 104.03 2a4c n GLY 45 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2a4c n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a4c n THR 46 N -2.09 0.00 -0.02 2.61 -2.24 -1.09 -4.95 114.28 106.50 2a4c n THR 46 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2a4c n THR 46 Cb 0.01 -0.38 -0.08 0.00 -2.10 0.00 0.00 70.33 67.78 2a4c n THR 46 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2a4c h ILE 47 N 0.00 1.29 -3.34 2.28 2.04 -1.25 -3.42 117.51 115.10 2a4c h ILE 47 Ca 0.00 -0.90 -0.64 0.00 1.00 0.00 0.00 64.86 64.32 2a4c h ILE 47 Cb 0.00 1.75 -0.22 0.00 -0.74 0.00 0.00 36.82 37.61 2a4c h ILE 47 CO 0.00 0.25 -0.68 -0.36 0.00 0.00 0.00 178.15 177.36 2a4c s PHE 48 N -4.77 3.00 0.01 1.37 0.40 -0.10 -0.68 117.98 117.21 2a4c s PHE 48 Ca -0.15 -0.28 0.05 0.00 -0.60 0.00 0.00 56.93 55.95 2a4c s PHE 48 Cb 0.04 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 2a4c s PHE 48 CO 0.70 0.00 -0.15 0.08 0.70 0.00 0.00 175.22 176.55 2a4c s VAL 49 N 0.20 1.16 0.15 -0.44 1.01 -0.69 -0.31 120.40 121.47 2a4c s VAL 49 Ca -0.03 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.27 2a4c s VAL 49 Cb -0.14 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2a4c s VAL 49 CO 0.03 0.21 -0.17 -0.51 0.00 0.00 0.00 175.10 174.67 2a4c s ILE 50 N -0.53 2.87 -0.31 2.22 2.07 -1.26 -0.98 121.20 125.27 2a4c s ILE 50 Ca 0.04 -1.63 -0.16 0.00 -1.41 0.00 0.00 60.65 57.49 2a4c s ILE 50 Cb -0.06 -2.35 -0.02 0.00 0.13 0.00 0.00 42.46 40.15 2a4c s ILE 50 CO 0.00 0.01 0.42 -0.62 -1.91 0.00 0.00 174.94 172.84 2a4c s ASP 51 N -2.42 6.26 0.00 4.50 3.68 -0.82 -4.97 116.67 122.90 2a4c s ASP 51 Ca 0.20 0.07 0.28 0.00 2.13 0.00 0.00 52.55 55.23 2a4c s ASP 51 Cb -0.10 -2.23 1.34 0.00 -1.45 0.00 0.00 42.92 40.49 2a4c s ASP 51 CO 0.11 -0.32 1.94 -0.90 0.13 0.00 0.00 175.17 176.13 2a4c n ASP 52 N 5.48 0.00 -0.08 -0.34 3.85 -1.26 0.27 116.55 124.47 2a4c n ASP 52 Ca -0.07 0.04 -0.12 0.00 -0.71 0.00 0.00 54.79 53.93 2a4c n ASP 52 Cb 0.50 -0.34 -0.07 0.00 -1.35 0.00 0.00 41.12 39.86 2a4c n ASP 52 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 2a4c h LYS 53 N 0.00 0.00 0.00 0.11 3.64 -1.90 -2.14 116.57 116.28 2a4c h LYS 53 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2a4c h LYS 53 Cb 0.31 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2a4c h LYS 53 CO 0.00 0.53 -0.73 0.66 -2.27 0.00 0.00 179.45 177.63 2a4c h SER 54 N -1.00 0.00 0.00 4.20 4.64 -1.91 -3.48 113.55 116.00 2a4c h SER 54 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2a4c h SER 54 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2a4c h SER 54 CO -0.08 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 2a4c n GLY 55 N 1.27 0.77 3.74 -0.77 0.00 0.14 -4.84 105.19 105.50 2a4c n GLY 55 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2a4c n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a4c s ASN 56 N -2.55 7.54 -0.13 1.61 0.01 -1.24 -0.00 114.94 120.17 2a4c s ASN 56 Ca 0.00 1.86 -0.04 0.00 -0.71 0.00 0.00 52.86 53.97 2a4c s ASN 56 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 2a4c s ASN 56 CO 0.00 0.01 0.03 -0.63 -1.51 0.00 0.00 177.10 174.99 2a4c s ILE 57 N -0.43 4.51 0.16 0.60 1.01 0.12 -1.94 121.20 125.23 2a4c s ILE 57 Ca 0.45 -0.16 0.11 0.00 0.00 0.00 0.00 60.65 61.05 2a4c s ILE 57 Cb -0.25 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 2a4c s ILE 57 CO 0.31 0.54 -0.24 -1.00 0.00 0.00 0.00 174.94 174.55 2a4c s HIS 58 N -0.31 2.34 -0.07 3.97 3.76 -0.16 0.22 115.29 125.04 2a4c s HIS 58 Ca 0.07 -0.36 -0.11 0.00 -0.15 0.00 0.00 55.06 54.52 2a4c s HIS 58 Cb -0.12 -1.21 -0.05 0.00 1.11 0.00 0.00 32.58 32.31 2a4c s HIS 58 CO 0.02 0.42 0.27 0.00 -0.85 0.00 0.00 174.74 174.60 2a4c s ALA 59 N -1.37 3.77 -0.08 -1.40 0.00 -0.03 -1.71 121.76 120.95 2a4c s ALA 59 Ca 0.18 -0.44 0.10 0.00 0.00 0.00 0.00 51.96 51.80 2a4c s ALA 59 Cb -0.09 -2.19 -0.14 0.00 0.00 0.00 0.00 23.12 20.70 2a4c s ALA 59 CO 0.08 0.51 0.10 0.25 0.00 0.00 0.00 175.76 176.70 2a4c n THR 60 N 2.06 0.49 -3.69 0.00 -2.24 0.15 -2.00 114.28 109.05 2a4c n THR 60 Ca -0.17 -0.38 -0.20 0.00 -2.27 0.00 0.00 64.05 61.03 2a4c n THR 60 Cb 0.54 -0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 2a4c n THR 60 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2a4c s LYS 61 N -2.42 2.98 0.18 -0.78 1.02 -1.21 -4.07 119.74 115.46 2a4c s LYS 61 Ca -0.05 -1.10 -0.31 0.00 0.02 0.00 0.00 55.97 54.53 2a4c s LYS 61 Cb 0.04 -2.68 -0.10 0.00 -0.52 0.00 0.00 37.83 34.58 2a4c s LYS 61 CO 0.44 0.13 1.53 0.99 -0.92 0.00 0.00 175.35 177.52 2a4c s THR 62 N -2.20 2.68 0.03 2.17 2.01 -1.21 -2.58 115.64 116.53 2a4c s THR 62 Ca 0.42 0.50 0.09 0.00 0.31 0.00 0.00 61.69 63.00 2a4c s THR 62 Cb -0.08 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 2a4c s THR 62 CO 0.29 0.05 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.26 2a4c s LEU 63 N 0.79 2.22 -0.28 4.42 1.43 -1.26 -4.87 118.68 121.12 2a4c s LEU 63 Ca 0.67 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2a4c s LEU 63 Cb -0.43 -1.34 0.09 0.00 0.03 0.00 0.00 46.19 44.54 2a4c s LEU 63 CO 0.34 0.27 0.05 -0.62 0.23 0.00 0.00 176.35 176.62 2a4c s ASP 64 N -1.11 3.95 0.41 2.29 3.68 -1.26 -4.75 116.67 119.87 2a4c s ASP 64 Ca 0.12 -1.50 0.22 0.00 2.13 0.00 0.00 52.55 53.52 2a4c s ASP 64 Cb -0.10 -1.02 1.22 0.00 -1.45 0.00 0.00 42.92 41.57 2a4c s ASP 64 CO 0.02 -0.35 1.71 -0.09 0.13 0.00 0.00 175.17 176.59 2a4c h ARG 65 N 8.00 0.27 -0.32 4.34 9.65 -1.88 0.40 114.38 134.84 2a4c h ARG 65 Ca -0.13 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 58.78 2a4c h ARG 65 Cb 1.04 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.52 2a4c h ARG 65 CO 0.45 0.18 0.06 1.49 2.80 0.00 0.00 179.97 184.95 2a4c h GLU 66 N 0.28 0.17 -0.43 0.20 4.57 -1.96 -2.69 114.58 114.73 2a4c h GLU 66 Ca 0.68 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.74 2a4c h GLU 66 Cb 1.88 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 30.42 2a4c h GLU 66 CO -0.35 0.11 -0.16 0.93 -1.18 0.00 0.00 179.01 178.36 2a4c h GLU 67 N 0.17 0.80 -1.48 1.92 5.08 -0.66 -3.43 114.58 116.99 2a4c h GLU 67 Ca 0.15 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2a4c h GLU 67 Cb 0.17 -0.05 -0.24 0.00 0.50 0.00 0.00 28.75 29.13 2a4c h GLU 67 CO -0.20 0.91 -0.31 1.03 -1.00 0.00 0.00 179.01 179.44 2a4c s ARG 68 N -4.72 0.50 0.21 2.33 1.81 -0.86 -5.05 118.95 113.16 2a4c s ARG 68 Ca -0.09 0.96 -0.05 0.00 -1.72 0.00 0.00 55.73 54.82 2a4c s ARG 68 Cb 0.13 0.33 0.17 0.00 -0.45 0.00 0.00 34.95 35.13 2a4c s ARG 68 CO 0.83 -0.54 1.62 0.00 -0.68 0.00 0.00 175.30 176.53 2a4c h ALA 69 N 8.06 0.85 -2.73 2.13 0.00 -1.77 -3.38 119.26 122.43 2a4c h ALA 69 Ca -0.21 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.38 2a4c h ALA 69 Cb 1.15 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 2a4c h ALA 69 CO 0.23 0.64 0.32 1.14 0.00 0.00 0.00 179.25 181.58 2a4c s GLN 70 N -4.59 1.25 -0.01 0.00 -2.07 -1.26 0.02 119.66 112.99 2a4c s GLN 70 Ca -0.09 -0.56 0.02 0.00 -1.82 0.00 0.00 55.36 52.92 2a4c s GLN 70 Cb 0.13 0.51 -0.00 0.00 -1.09 0.00 0.00 33.01 32.56 2a4c s GLN 70 CO 0.84 -0.56 -0.08 0.71 -1.32 0.00 0.00 175.29 174.88 2a4c s TYR 71 N -3.56 0.81 -0.33 9.60 1.51 0.36 -4.95 117.35 120.79 2a4c s TYR 71 Ca 0.06 -0.17 -0.14 0.00 -1.01 0.00 0.00 57.07 55.81 2a4c s TYR 71 Cb -0.02 -0.55 -0.02 0.00 -0.11 0.00 0.00 41.96 41.26 2a4c s TYR 71 CO -0.06 -0.05 0.30 0.99 -1.11 0.00 0.00 175.55 175.62 2a4c s THR 72 N -0.03 5.23 0.25 -0.71 2.01 -1.26 -0.31 115.64 120.82 2a4c s THR 72 Ca 0.01 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.11 2a4c s THR 72 Cb -0.05 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2a4c s THR 72 CO -0.00 -0.00 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.09 2a4c s LEU 73 N 1.88 2.99 -0.11 4.42 1.43 -0.10 -1.46 118.68 127.73 2a4c s LEU 73 Ca 0.09 -0.73 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 2a4c s LEU 73 Cb -0.17 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 2a4c s LEU 73 CO 0.11 0.04 -0.16 -0.32 0.23 0.00 0.00 176.35 176.25 2a4c s MET 74 N -3.43 3.12 0.02 1.70 1.75 0.14 -0.34 119.30 122.25 2a4c s MET 74 Ca 0.29 -0.73 -0.10 0.00 -1.25 0.00 0.00 55.69 53.91 2a4c s MET 74 Cb -0.07 -2.51 -0.05 0.00 2.84 0.00 0.00 34.83 35.04 2a4c s MET 74 CO 0.17 0.30 0.33 0.00 -0.65 0.00 0.00 175.02 175.18 2a4c s ALA 75 N 0.11 3.77 -0.01 4.11 0.00 0.35 -1.91 121.76 128.19 2a4c s ALA 75 Ca -0.07 -0.42 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 2a4c s ALA 75 Cb -0.15 -2.21 -0.00 0.00 0.00 0.00 0.00 23.12 20.76 2a4c s ALA 75 CO 0.05 0.57 0.06 -0.65 0.00 0.00 0.00 175.76 175.79 2a4c s GLN 76 N -1.55 0.24 -0.25 0.00 -0.21 -0.82 -2.08 119.66 114.99 2a4c s GLN 76 Ca 0.27 -0.21 0.01 0.00 0.02 0.00 0.00 55.36 55.45 2a4c s GLN 76 Cb -0.14 0.10 0.06 0.00 1.00 0.00 0.00 33.01 34.03 2a4c s GLN 76 CO 0.15 -0.04 -0.05 0.00 -2.12 0.00 0.00 175.29 173.22 2a4c s ALA 77 N -0.70 2.11 0.26 6.09 0.00 -1.26 -1.64 121.76 126.61 2a4c s ALA 77 Ca -0.08 -1.51 0.11 0.00 0.00 0.00 0.00 51.96 50.48 2a4c s ALA 77 Cb -0.05 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.52 2a4c s ALA 77 CO 0.00 -1.25 -0.13 0.14 0.00 0.00 0.00 175.76 174.53 2a4c s VAL 78 N 1.32 2.85 0.15 0.00 -7.23 -0.48 -0.04 120.40 116.98 2a4c s VAL 78 Ca -0.05 -2.14 -0.31 0.00 -1.81 0.00 0.00 61.98 57.67 2a4c s VAL 78 Cb -0.19 -2.49 -0.08 0.00 0.56 0.00 0.00 36.38 34.18 2a4c s VAL 78 CO -0.07 -0.34 1.31 -0.62 -0.31 0.00 0.00 175.10 175.07 2a4c s ASP 79 N -3.43 6.91 0.54 4.85 -1.08 -1.01 -0.66 116.67 122.79 2a4c s ASP 79 Ca 0.29 2.31 0.33 0.00 -0.52 0.00 0.00 52.55 54.96 2a4c s ASP 79 Cb -0.06 -2.60 1.50 0.00 -1.46 0.00 0.00 42.92 40.30 2a4c s ASP 79 CO 0.16 -0.55 1.87 -0.09 0.52 0.00 0.00 175.17 177.08 2a4c h ARG 80 N 6.06 0.00 0.00 4.34 9.65 -1.70 -0.11 114.38 132.62 2a4c h ARG 80 Ca -0.43 -0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.32 2a4c h ARG 80 Cb 1.21 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.77 2a4c h ARG 80 CO 0.81 0.00 -1.19 -0.25 2.80 0.00 0.00 179.97 182.14 2a4c n ASP 81 N -4.25 1.08 0.28 -3.80 8.00 -1.26 -4.64 116.55 111.96 2a4c n ASP 81 Ca 0.20 0.17 0.17 0.00 0.71 0.00 0.00 54.79 56.05 2a4c n ASP 81 Cb 1.03 -0.41 0.79 0.00 -0.02 0.00 0.00 41.12 42.51 2a4c n ASP 81 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2a4c h THR 82 N -0.43 0.16 0.00 -3.53 1.35 -1.98 -3.46 112.91 105.03 2a4c h THR 82 Ca -0.19 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 2a4c h THR 82 Cb 0.94 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 2a4c h THR 82 CO -0.11 0.04 0.00 0.59 -0.25 0.00 0.00 175.52 175.79 2a4c n ASN 83 N -3.22 -5.13 -4.72 5.36 4.13 -0.05 -4.95 115.26 106.67 2a4c n ASN 83 Ca -0.01 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.84 2a4c n ASN 83 Cb 0.25 -3.18 -0.04 0.00 -1.54 0.00 0.00 39.78 35.27 2a4c n ASN 83 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2a4c s ARG 84 N -1.77 4.58 0.17 3.52 0.52 -1.26 -4.57 118.95 120.14 2a4c s ARG 84 Ca 0.00 1.33 -0.33 0.00 -0.52 0.00 0.00 55.73 56.21 2a4c s ARG 84 Cb 0.00 -3.42 -0.16 0.00 0.52 0.00 0.00 34.95 31.89 2a4c s ARG 84 CO 0.00 0.07 1.20 -0.35 0.02 0.00 0.00 175.30 176.24 2a4c n PRO 85 N 3.45 1.24 0.00 3.54 -0.04 -1.26 -2.39 135.00 139.54 2a4c n PRO 85 Ca 0.03 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 2a4c n PRO 85 Cb 0.50 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 2a4c n PRO 85 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2a4c n LEU 86 N 2.08 0.19 -4.81 1.53 4.77 0.95 -4.88 117.00 116.82 2a4c n LEU 86 Ca 0.15 0.11 -0.33 0.00 -0.03 0.00 0.00 56.01 55.91 2a4c n LEU 86 Cb 0.25 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 2a4c n LEU 86 CO 0.61 -0.39 0.70 -1.61 -1.33 0.00 0.00 177.39 175.38 2a4c s GLU 87 N -0.77 3.72 0.23 3.23 0.41 -1.20 -5.04 118.70 119.28 2a4c s GLU 87 Ca 0.00 1.17 -0.30 0.00 -0.41 0.00 0.00 54.97 55.44 2a4c s GLU 87 Cb 0.00 -2.09 -0.09 0.00 -1.78 0.00 0.00 34.13 30.17 2a4c s GLU 87 CO 0.00 -0.47 1.19 -1.25 -0.49 0.00 0.00 175.26 174.24 2a4c s PRO 88 N -3.73 4.51 0.35 0.39 0.04 -1.26 -4.44 135.00 130.86 2a4c s PRO 88 Ca 0.63 1.90 -0.28 0.00 0.04 0.00 0.00 61.00 63.30 2a4c s PRO 88 Cb -0.14 -3.20 -0.12 0.00 0.04 0.00 0.00 34.50 31.08 2a4c s PRO 88 CO 0.28 -0.02 1.35 -0.35 0.04 0.00 0.00 177.00 178.29 2a4c n PRO 89 N 1.95 2.28 -3.89 0.56 -0.04 -1.26 -4.91 135.00 129.69 2a4c n PRO 89 Ca 0.02 0.80 -0.11 0.00 -0.04 0.00 0.00 63.50 64.17 2a4c n PRO 89 Cb 0.44 -2.42 -0.11 0.00 -0.04 0.00 0.00 33.50 31.36 2a4c n PRO 89 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2a4c s SER 90 N -0.26 0.04 0.54 3.54 1.04 -0.88 -4.98 113.70 112.74 2a4c s SER 90 Ca 0.55 -0.13 -0.17 0.00 0.48 0.00 0.00 55.95 56.67 2a4c s SER 90 Cb -0.54 0.17 -0.06 0.00 0.10 0.00 0.00 66.02 65.68 2a4c s SER 90 CO 0.63 -0.21 1.03 -1.61 0.98 0.00 0.00 173.24 174.06 2a4c s GLU 91 N -0.83 3.62 0.15 4.02 2.02 -1.26 -0.50 118.70 125.92 2a4c s GLU 91 Ca -0.09 1.20 -0.08 0.00 0.02 0.00 0.00 54.97 56.02 2a4c s GLU 91 Cb -0.05 -2.08 -0.01 0.00 0.10 0.00 0.00 34.13 32.09 2a4c s GLU 91 CO 0.00 -0.56 0.24 -0.59 0.02 0.00 0.00 175.26 174.37 2a4c s PHE 92 N -2.34 0.42 -0.03 1.61 -0.71 0.53 -4.86 117.98 112.60 2a4c s PHE 92 Ca 0.64 -0.79 0.07 0.00 -1.04 0.00 0.00 56.93 55.81 2a4c s PHE 92 Cb -0.15 -0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.54 2a4c s PHE 92 CO 0.30 -0.67 -0.25 0.42 -1.34 0.00 0.00 175.22 173.68 2a4c s ILE 93 N -3.96 2.16 -0.22 -4.49 1.01 -0.88 -0.93 121.20 113.89 2a4c s ILE 93 Ca 0.16 -1.06 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 2a4c s ILE 93 Cb 0.04 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 2a4c s ILE 93 CO -0.01 0.58 0.00 -0.69 0.00 0.00 0.00 174.94 174.82 2a4c s VAL 94 N -0.55 3.83 -0.23 2.92 1.01 0.57 -0.74 120.40 127.21 2a4c s VAL 94 Ca 0.08 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 2a4c s VAL 94 Cb -0.11 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2a4c s VAL 94 CO -0.00 0.40 0.09 -0.54 0.00 0.00 0.00 175.10 175.04 2a4c s LYS 95 N 1.36 3.83 -0.13 2.72 1.02 -0.49 -0.49 119.74 127.57 2a4c s LYS 95 Ca 0.05 -0.40 -0.29 0.00 0.02 0.00 0.00 55.97 55.34 2a4c s LYS 95 Cb -0.15 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 2a4c s LYS 95 CO 0.00 0.00 1.02 0.08 -0.92 0.00 0.00 175.35 175.54 2a4c s VAL 96 N 1.13 4.75 -0.18 3.17 1.01 0.10 -1.73 120.40 128.64 2a4c s VAL 96 Ca 0.05 2.03 -0.18 0.00 0.00 0.00 0.00 61.98 63.88 2a4c s VAL 96 Cb -0.14 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2a4c s VAL 96 CO 0.04 -0.03 0.48 -1.58 0.00 0.00 0.00 175.10 174.01 2a4c s GLN 97 N 2.26 4.22 0.00 2.72 2.00 0.86 -4.83 119.66 126.90 2a4c s GLN 97 Ca 0.48 0.38 0.00 0.00 -2.00 0.00 0.00 55.36 54.22 2a4c s GLN 97 Cb -0.18 -3.53 0.00 0.00 0.80 0.00 0.00 33.01 30.10 2a4c s GLN 97 CO 0.16 -0.06 0.00 -3.47 -0.50 0.00 0.00 175.29 171.42