#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d4f s ILE 1 N 0.00 0.16 -0.00 3.17 2.07 -1.26 -5.15 121.20 120.19 2d4f s ILE 1 Ca 0.00 -0.40 0.01 0.00 -1.41 0.00 0.00 60.65 58.84 2d4f s ILE 1 Cb 0.00 -0.20 -0.00 0.00 0.13 0.00 0.00 42.46 42.38 2d4f s ILE 1 CO 0.00 -0.16 -0.03 0.00 -1.91 0.00 0.00 174.94 172.85 2d4f s GLN 2 N -0.59 0.24 -0.03 3.50 -2.07 -1.26 -4.37 119.66 115.08 2d4f s GLN 2 Ca -0.05 -0.13 0.00 0.00 -1.82 0.00 0.00 55.36 53.36 2d4f s GLN 2 Cb -0.04 -0.21 0.03 0.00 -1.09 0.00 0.00 33.01 31.70 2d4f s GLN 2 CO -0.00 0.06 0.01 1.03 -1.32 0.00 0.00 175.29 175.07 2d4f s ARG 3 N -0.15 0.19 0.12 9.60 0.52 0.43 -4.93 118.95 124.74 2d4f s ARG 3 Ca 0.00 0.13 -0.31 0.00 -0.52 0.00 0.00 55.73 55.03 2d4f s ARG 3 Cb -0.02 -0.43 -0.08 0.00 0.52 0.00 0.00 34.95 34.94 2d4f s ARG 3 CO -0.00 -0.16 1.34 0.99 0.02 0.00 0.00 175.30 177.49 2d4f s THR 4 N 1.13 3.41 0.42 0.02 2.01 -1.26 -2.19 115.64 119.18 2d4f s THR 4 Ca -0.08 1.04 -0.26 0.00 0.31 0.00 0.00 61.69 62.70 2d4f s THR 4 Cb -0.13 -3.67 -0.09 0.00 0.01 0.00 0.00 72.50 68.62 2d4f s THR 4 CO -0.02 0.10 1.42 -2.16 -0.69 0.00 0.00 174.62 173.26 2d4f s PRO 5 N 0.83 3.86 0.14 4.92 0.04 -1.26 -4.67 135.00 138.87 2d4f s PRO 5 Ca 0.62 2.41 -0.24 0.00 0.04 0.00 0.00 61.00 63.83 2d4f s PRO 5 Cb -0.35 -2.77 -0.08 0.00 0.04 0.00 0.00 34.50 31.34 2d4f s PRO 5 CO 0.32 -0.67 0.72 0.21 0.04 0.00 0.00 177.00 177.61 2d4f s LYS 6 N -2.30 4.47 -0.09 4.56 2.20 -0.59 -4.87 119.74 123.11 2d4f s LYS 6 Ca 0.58 1.04 0.02 0.00 -0.36 0.00 0.00 55.97 57.25 2d4f s LYS 6 Cb -0.43 -3.26 0.01 0.00 -1.51 0.00 0.00 37.83 32.64 2d4f s LYS 6 CO 0.57 0.59 -0.14 0.42 -0.36 0.00 0.00 175.35 176.43 2d4f s ILE 7 N -1.14 1.35 -0.04 5.43 1.01 -1.26 -0.74 121.20 125.81 2d4f s ILE 7 Ca 0.34 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.43 2d4f s ILE 7 Cb -0.22 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 41.03 2d4f s ILE 7 CO 0.24 0.41 -0.07 -1.10 0.00 0.00 0.00 174.94 174.42 2d4f s GLN 8 N 0.85 0.96 -0.10 2.79 -0.21 -0.65 -4.99 119.66 118.31 2d4f s GLN 8 Ca -0.10 -0.22 0.03 0.00 0.02 0.00 0.00 55.36 55.08 2d4f s GLN 8 Cb -0.15 -0.90 0.01 0.00 1.00 0.00 0.00 33.01 32.96 2d4f s GLN 8 CO 0.01 0.02 -0.18 0.08 -2.12 0.00 0.00 175.29 173.10 2d4f s VAL 9 N 0.55 1.66 0.20 1.09 1.01 -1.26 -0.43 120.40 123.21 2d4f s VAL 9 Ca -0.08 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.91 2d4f s VAL 9 Cb -0.12 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.84 2d4f s VAL 9 CO 0.01 0.47 0.64 -0.72 0.00 0.00 0.00 175.10 175.50 2d4f s TYR 10 N 0.66 -0.42 0.10 5.22 -0.85 -0.63 -4.60 117.35 116.84 2d4f s TYR 10 Ca -0.13 0.13 0.08 0.00 -0.52 0.00 0.00 57.07 56.63 2d4f s TYR 10 Cb -0.16 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.75 2d4f s TYR 10 CO 0.03 -0.98 -0.15 -1.54 -1.52 0.00 0.00 175.55 171.40 2d4f s SER 11 N -2.81 4.10 -0.02 -0.18 1.04 -1.26 -0.49 113.70 114.08 2d4f s SER 11 Ca 0.04 -0.47 -0.05 0.00 0.48 0.00 0.00 55.95 55.95 2d4f s SER 11 Cb -0.03 -0.68 0.01 0.00 0.10 0.00 0.00 66.02 65.42 2d4f s SER 11 CO -0.06 0.19 0.11 -0.13 0.98 0.00 0.00 173.24 174.33 2d4f s ARG 12 N -2.10 0.28 -0.22 4.02 1.81 -0.55 -4.97 118.95 117.20 2d4f s ARG 12 Ca 0.19 -0.09 -0.06 0.00 -1.72 0.00 0.00 55.73 54.04 2d4f s ARG 12 Cb -0.11 0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.48 2d4f s ARG 12 CO 0.11 -0.05 0.04 -1.01 -0.68 0.00 0.00 175.30 173.70 2d4f s HIS 13 N -0.57 3.07 0.18 -0.53 3.76 -1.26 -0.60 115.29 119.34 2d4f s HIS 13 Ca -0.06 -0.42 -0.31 0.00 -0.15 0.00 0.00 55.06 54.11 2d4f s HIS 13 Cb -0.04 -2.16 -0.10 0.00 1.11 0.00 0.00 32.58 31.39 2d4f s HIS 13 CO 0.01 -0.28 1.52 -1.25 -0.85 0.00 0.00 174.74 173.89 2d4f s PRO 14 N 1.26 4.23 0.54 8.40 0.04 -1.26 -4.87 135.00 143.35 2d4f s PRO 14 Ca 0.04 2.33 0.20 0.00 0.04 0.00 0.00 61.00 63.61 2d4f s PRO 14 Cb -0.15 -3.15 1.43 0.00 0.04 0.00 0.00 34.50 32.68 2d4f s PRO 14 CO 0.02 -0.55 2.17 0.00 0.04 0.00 0.00 177.00 178.68 2d4f h ALA 15 N 6.38 1.82 0.00 8.56 0.00 -1.97 -0.86 119.26 133.20 2d4f h ALA 15 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2d4f h ALA 15 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2d4f h ALA 15 CO 0.88 0.02 0.00 0.39 0.00 0.00 0.00 179.25 180.53 2d4f n GLU 16 N -4.29 0.23 -3.10 0.00 1.02 -1.26 -4.22 120.64 109.02 2d4f n GLU 16 Ca -0.03 0.33 -0.16 0.00 -0.02 0.00 0.00 57.16 57.28 2d4f n GLU 16 Cb 0.10 -1.85 -0.05 0.00 -0.02 0.00 0.00 31.44 29.63 2d4f n GLU 16 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2d4f s ASN 17 N -4.38 0.06 0.59 1.62 2.47 -0.34 -5.02 114.94 109.92 2d4f s ASN 17 Ca 0.07 -2.40 0.36 0.00 0.42 0.00 0.00 52.86 51.31 2d4f s ASN 17 Cb 0.11 0.69 1.77 0.00 -1.45 0.00 0.00 41.25 42.36 2d4f s ASN 17 CO 0.49 -0.12 2.15 1.23 -3.72 0.00 0.00 177.10 177.12 2d4f h GLY 18 N 5.38 0.00 2.00 1.21 0.00 -1.68 -1.40 103.07 108.58 2d4f h GLY 18 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 2d4f h GLY 18 CO 0.20 0.00 -0.25 0.50 0.00 0.00 0.00 176.54 176.99 2d4f h LYS 19 N 0.00 0.00 -6.89 4.80 1.57 -1.96 -3.44 116.57 110.65 2d4f h LYS 19 Ca -0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 2d4f h LYS 19 Cb 0.29 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.61 2d4f h LYS 19 CO 0.00 0.25 0.42 -1.12 -0.57 0.00 0.00 179.45 178.43 2d4f s SER 20 N -6.24 7.03 -0.03 0.86 0.01 -0.53 -5.06 113.70 109.74 2d4f s SER 20 Ca 0.00 2.08 0.02 0.00 1.31 0.00 0.00 55.95 59.36 2d4f s SER 20 Cb 0.11 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.75 2d4f s SER 20 CO 0.64 -0.30 -0.06 0.21 0.41 0.00 0.00 173.24 174.14 2d4f s ASN 21 N -1.34 0.94 -0.04 2.44 3.84 -1.26 -4.13 114.94 115.38 2d4f s ASN 21 Ca 0.52 -0.14 0.07 0.00 0.21 0.00 0.00 52.86 53.52 2d4f s ASN 21 Cb -0.25 -0.29 -0.01 0.00 -0.55 0.00 0.00 41.25 40.15 2d4f s ASN 21 CO 0.31 0.02 -0.25 -0.36 -2.79 0.00 0.00 177.10 174.04 2d4f s PHE 22 N 0.36 2.36 -0.16 0.43 0.40 0.23 -0.72 117.98 120.88 2d4f s PHE 22 Ca -0.05 -0.62 -0.15 0.00 -0.60 0.00 0.00 56.93 55.52 2d4f s PHE 22 Cb -0.09 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 2d4f s PHE 22 CO 0.00 -0.16 0.34 -1.17 0.70 0.00 0.00 175.22 174.93 2d4f s LEU 23 N -0.30 4.23 -0.05 -0.37 2.96 -0.21 -1.49 118.68 123.45 2d4f s LEU 23 Ca 0.01 0.55 0.05 0.00 -0.22 0.00 0.00 54.13 54.52 2d4f s LEU 23 Cb -0.12 -2.44 -0.00 0.00 0.50 0.00 0.00 46.19 44.12 2d4f s LEU 23 CO 0.02 0.05 -0.19 0.20 -1.32 0.00 0.00 176.35 175.11 2d4f s ASN 24 N 0.60 2.37 -0.23 3.68 -0.87 0.36 -1.83 114.94 119.02 2d4f s ASN 24 Ca 0.18 -0.39 0.02 0.00 -1.57 0.00 0.00 52.86 51.10 2d4f s ASN 24 Cb -0.14 -0.68 0.05 0.00 -0.02 0.00 0.00 41.25 40.46 2d4f s ASN 24 CO 0.06 0.17 -0.14 0.00 -2.57 0.00 0.00 177.10 174.62 2d4f s TYR 26 N 1.17 3.21 -0.26 0.00 5.04 0.42 -1.12 117.35 125.82 2d4f s TYR 26 Ca -0.04 -0.72 -0.05 0.00 -2.44 0.00 0.00 57.07 53.82 2d4f s TYR 26 Cb -0.17 -2.41 0.01 0.00 0.35 0.00 0.00 41.96 39.73 2d4f s TYR 26 CO -0.08 -0.54 0.02 0.08 -1.34 0.00 0.00 175.55 173.69 2d4f s VAL 27 N 1.60 3.59 0.04 3.14 1.01 0.52 -1.64 120.40 128.65 2d4f s VAL 27 Ca 0.04 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.36 2d4f s VAL 27 Cb -0.18 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2d4f s VAL 27 CO 0.07 0.20 -0.14 -0.94 0.00 0.00 0.00 175.10 174.28 2d4f s SER 28 N 1.46 1.67 -0.94 3.32 1.04 0.08 -0.29 113.70 120.04 2d4f s SER 28 Ca 0.03 -0.46 -0.00 0.00 0.48 0.00 0.00 55.95 56.00 2d4f s SER 28 Cb -0.16 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.85 2d4f s SER 28 CO -0.00 0.03 0.03 0.61 0.98 0.00 0.00 173.24 174.89 2d4f n GLY 29 N 1.89 -0.08 3.94 7.32 0.00 0.22 -1.54 105.19 116.95 2d4f n GLY 29 Ca -0.18 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 2d4f n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d4f s PHE 30 N -2.58 3.49 -0.26 1.61 -0.12 -0.87 -4.66 117.98 114.59 2d4f s PHE 30 Ca 0.01 0.12 -0.22 0.00 -0.05 0.00 0.00 56.93 56.80 2d4f s PHE 30 Cb -0.01 -1.67 0.07 0.00 -0.63 0.00 0.00 43.02 40.78 2d4f s PHE 30 CO 0.02 0.51 0.67 -1.58 -0.05 0.00 0.00 175.22 174.79 2d4f s HIS 31 N -1.75 -0.80 1.17 3.49 2.46 -0.93 -1.48 115.29 117.46 2d4f s HIS 31 Ca 0.35 1.86 -0.16 0.00 0.47 0.00 0.00 55.06 57.58 2d4f s HIS 31 Cb -0.11 0.33 0.27 0.00 -0.13 0.00 0.00 32.58 32.94 2d4f s HIS 31 CO 0.29 -0.39 1.05 -1.25 -2.47 0.00 0.00 174.74 171.96 2d4f s PRO 32 N 0.64 -0.98 0.48 2.88 0.04 -1.26 -0.42 135.00 136.37 2d4f s PRO 32 Ca -0.02 0.38 0.27 0.00 0.04 0.00 0.00 61.00 61.67 2d4f s PRO 32 Cb -0.05 -1.59 0.93 0.00 0.04 0.00 0.00 34.50 33.84 2d4f s PRO 32 CO -0.04 -3.65 1.82 0.66 0.04 0.00 0.00 177.00 175.84 2d4f h SER 33 N -2.55 0.00 -2.11 6.66 4.64 -1.98 -3.45 113.55 114.77 2d4f h SER 33 Ca -0.53 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.18 2d4f h SER 33 Cb 1.33 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.46 2d4f h SER 33 CO 0.45 0.09 0.83 0.47 -0.87 0.00 0.00 176.83 177.81 2d4f n ASP 34 N -3.19 2.96 -3.51 4.97 9.92 -1.26 -4.94 116.55 121.51 2d4f n ASP 34 Ca 0.01 1.06 -0.12 0.00 -0.53 0.00 0.00 54.79 55.22 2d4f n ASP 34 Cb 0.42 -1.37 -0.04 0.00 -0.64 0.00 0.00 41.12 39.49 2d4f n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2d4f s ILE 35 N 1.67 0.00 -0.07 0.53 2.07 -1.26 -4.66 121.20 119.48 2d4f s ILE 35 Ca 0.83 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 60.10 2d4f s ILE 35 Cb -0.73 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 40.87 2d4f s ILE 35 CO 0.43 0.00 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.62 2d4f s GLU 36 N -2.32 1.87 -0.03 3.50 2.12 -0.44 -5.00 118.70 118.41 2d4f s GLU 36 Ca -0.01 -0.50 -0.00 0.00 0.36 0.00 0.00 54.97 54.82 2d4f s GLU 36 Cb -0.01 -1.53 0.03 0.00 0.26 0.00 0.00 34.13 32.88 2d4f s GLU 36 CO -0.03 0.07 0.03 0.08 -0.54 0.00 0.00 175.26 174.88 2d4f s VAL 37 N 0.54 -0.02 0.07 3.70 1.01 -1.26 -0.82 120.40 123.61 2d4f s VAL 37 Ca -0.14 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.14 2d4f s VAL 37 Cb -0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 2d4f s VAL 37 CO 0.04 0.12 -0.14 -1.81 0.00 0.00 0.00 175.10 173.31 2d4f s ASP 38 N 1.32 1.67 0.04 3.32 1.01 0.03 -4.99 116.67 119.07 2d4f s ASP 38 Ca -0.06 -0.61 -0.13 0.00 0.71 0.00 0.00 52.55 52.46 2d4f s ASP 38 Cb -0.13 -0.05 -0.06 0.00 1.01 0.00 0.00 42.92 43.69 2d4f s ASP 38 CO -0.03 -0.07 0.42 -0.76 0.21 0.00 0.00 175.17 174.94 2d4f s LEU 39 N -1.71 4.43 0.03 1.23 1.43 -1.26 -0.17 118.68 122.66 2d4f s LEU 39 Ca -0.02 0.93 0.09 0.00 -1.03 0.00 0.00 54.13 54.10 2d4f s LEU 39 Cb -0.10 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 2d4f s LEU 39 CO 0.02 0.26 -0.26 -0.76 0.23 0.00 0.00 176.35 175.84 2d4f s LEU 40 N -1.39 2.14 -0.18 1.79 1.43 0.53 -0.76 118.68 122.24 2d4f s LEU 40 Ca 0.28 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2d4f s LEU 40 Cb -0.16 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 44.79 2d4f s LEU 40 CO 0.15 0.27 -0.16 -0.75 0.23 0.00 0.00 176.35 176.09 2d4f s LYS 41 N -1.11 2.59 -1.56 1.70 2.20 0.15 -1.73 119.74 121.98 2d4f s LYS 41 Ca 0.11 -0.77 -0.10 0.00 -0.36 0.00 0.00 55.97 54.85 2d4f s LYS 41 Cb -0.10 -2.41 0.08 0.00 -1.51 0.00 0.00 37.83 33.89 2d4f s LYS 41 CO 0.01 -0.27 0.67 0.09 -0.36 0.00 0.00 175.35 175.49 2d4f n ASN 42 N 4.67 -2.29 0.00 1.43 3.02 0.38 -1.57 115.26 120.90 2d4f n ASN 42 Ca -0.18 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 2d4f n ASN 42 Cb 0.49 -3.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.61 2d4f n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d4f n GLY 43 N -1.68 2.44 3.87 7.41 0.00 -1.26 -5.01 105.19 110.95 2d4f n GLY 43 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 2d4f n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d4f s GLU 44 N -0.25 3.61 0.23 1.61 0.41 -0.61 -5.01 118.70 118.69 2d4f s GLU 44 Ca 0.00 0.04 -0.30 0.00 -0.41 0.00 0.00 54.97 54.29 2d4f s GLU 44 Cb 0.00 -3.17 -0.10 0.00 -1.78 0.00 0.00 34.13 29.08 2d4f s GLU 44 CO 0.00 0.72 1.48 0.50 -0.49 0.00 0.00 175.26 177.47 2d4f s ARG 45 N -1.22 4.24 -0.29 1.61 3.52 -1.26 -0.68 118.95 124.87 2d4f s ARG 45 Ca 0.21 2.34 -0.27 0.00 -0.13 0.00 0.00 55.73 57.88 2d4f s ARG 45 Cb -0.14 -3.11 0.01 0.00 -1.56 0.00 0.00 34.95 30.15 2d4f s ARG 45 CO 0.10 -0.48 0.95 0.42 -0.81 0.00 0.00 175.30 175.47 2d4f s ILE 46 N 0.25 4.68 0.10 4.11 1.01 0.06 -4.84 121.20 126.57 2d4f s ILE 46 Ca 0.62 1.60 -0.09 0.00 0.00 0.00 0.00 60.65 62.79 2d4f s ILE 46 Cb -0.43 -4.27 -0.22 0.00 0.01 0.00 0.00 42.46 37.55 2d4f s ILE 46 CO 0.41 -0.29 1.23 -0.08 0.00 0.00 0.00 174.94 176.21 2d4f h GLU 47 N 7.91 0.52 -4.01 2.79 4.81 -1.93 -3.40 114.58 121.25 2d4f h GLU 47 Ca -0.22 -0.60 -0.77 0.00 -0.13 0.00 0.00 59.36 57.65 2d4f h GLU 47 Cb 1.08 0.18 -0.25 0.00 0.63 0.00 0.00 28.75 30.39 2d4f h GLU 47 CO 0.95 1.22 -0.13 0.21 -0.73 0.00 0.00 179.01 180.54 2d4f s LYS 48 N -3.19 3.16 -0.28 1.92 2.20 -1.26 -5.00 119.74 117.28 2d4f s LYS 48 Ca -0.07 -1.94 -0.00 0.00 -0.36 0.00 0.00 55.97 53.59 2d4f s LYS 48 Cb 0.08 -4.33 0.05 0.00 -1.51 0.00 0.00 37.83 32.12 2d4f s LYS 48 CO 0.89 -1.32 -0.04 0.08 -0.36 0.00 0.00 175.35 174.61 2d4f s VAL 49 N 1.16 2.74 0.31 4.02 1.01 -1.26 -4.96 120.40 123.42 2d4f s VAL 49 Ca 0.08 -1.39 0.16 0.00 0.00 0.00 0.00 61.98 60.83 2d4f s VAL 49 Cb -0.24 -2.55 0.12 0.00 0.00 0.00 0.00 36.38 33.71 2d4f s VAL 49 CO -0.01 -0.03 1.81 -0.33 0.00 0.00 0.00 175.10 176.54 2d4f h GLU 50 N 7.94 0.00 -4.42 2.72 5.08 -1.95 -3.44 114.58 120.51 2d4f h GLU 50 Ca -0.23 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.64 2d4f h GLU 50 Cb 1.06 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.97 2d4f h GLU 50 CO 0.52 0.37 -0.81 -1.01 -1.00 0.00 0.00 179.01 177.09 2d4f s HIS 51 N -3.95 1.33 -0.31 4.33 3.76 -0.77 -5.05 115.29 114.64 2d4f s HIS 51 Ca -0.02 -0.50 -0.02 0.00 -0.15 0.00 0.00 55.06 54.37 2d4f s HIS 51 Cb 0.13 -1.02 0.12 0.00 1.11 0.00 0.00 32.58 32.92 2d4f s HIS 51 CO 0.70 -0.29 0.19 0.45 -0.85 0.00 0.00 174.74 174.94 2d4f s SER 52 N 0.82 2.96 -0.30 1.40 0.15 -1.26 -1.56 113.70 115.91 2d4f s SER 52 Ca -0.12 -1.42 -0.07 0.00 0.70 0.00 0.00 55.95 55.04 2d4f s SER 52 Cb -0.15 -0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.01 2d4f s SER 52 CO 0.02 -0.39 0.08 -1.81 1.20 0.00 0.00 173.24 172.34 2d4f s ASP 53 N 1.87 5.13 -0.09 5.45 1.01 0.13 -4.97 116.67 125.20 2d4f s ASP 53 Ca 0.12 -0.78 -0.01 0.00 0.71 0.00 0.00 52.55 52.58 2d4f s ASP 53 Cb -0.17 -1.87 -0.03 0.00 1.01 0.00 0.00 42.92 41.85 2d4f s ASP 53 CO -0.26 -0.21 -0.03 -0.22 0.21 0.00 0.00 175.17 174.66 2d4f s LEU 54 N 1.48 3.37 0.25 1.23 2.96 -1.26 -0.95 118.68 125.75 2d4f s LEU 54 Ca 0.02 0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 53.90 2d4f s LEU 54 Cb -0.18 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 2d4f s LEU 54 CO 0.02 0.33 0.32 -0.94 -1.32 0.00 0.00 176.35 174.77 2d4f s SER 55 N -0.59 0.25 0.04 3.68 1.04 -0.16 -5.01 113.70 112.94 2d4f s SER 55 Ca 0.09 -1.24 -0.01 0.00 0.48 0.00 0.00 55.95 55.27 2d4f s SER 55 Cb -0.12 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 2d4f s SER 55 CO 0.02 -1.04 -0.03 0.72 0.98 0.00 0.00 173.24 173.90 2d4f s PHE 56 N -3.90 0.39 0.00 5.02 -0.12 -1.26 -1.03 117.98 117.08 2d4f s PHE 56 Ca 0.31 -0.80 0.00 0.00 -0.05 0.00 0.00 56.93 56.40 2d4f s PHE 56 Cb 0.03 -0.29 0.00 0.00 -0.63 0.00 0.00 43.02 42.13 2d4f s PHE 56 CO 0.13 -0.29 0.00 -1.13 -0.05 0.00 0.00 175.22 173.88 2d4f n SER 57 N 0.85 0.00 -4.67 1.98 3.41 -0.46 -4.98 113.62 109.74 2d4f n SER 57 Ca -0.19 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.11 2d4f n SER 57 Cb 0.58 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.70 2d4f n SER 57 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2d4f s LYS 58 N 0.29 1.02 0.62 4.33 -0.14 -1.26 -4.90 119.74 119.69 2d4f s LYS 58 Ca 0.00 1.49 0.38 0.00 -1.36 0.00 0.00 55.97 56.48 2d4f s LYS 58 Cb 0.00 -1.73 2.06 0.00 -1.68 0.00 0.00 37.83 36.48 2d4f s LYS 58 CO 0.00 -2.61 2.27 -0.44 -0.76 0.00 0.00 175.35 173.81 2d4f h ASP 59 N -1.85 0.00 -0.34 2.83 3.32 -2.04 -2.03 116.42 116.31 2d4f h ASP 59 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2d4f h ASP 59 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2d4f h ASP 59 CO 0.43 0.02 0.00 -2.67 -1.72 0.00 0.00 179.24 175.29 2d4f n TRP 60 N -3.30 1.15 -3.73 4.55 2.14 -1.26 -4.91 117.44 112.07 2d4f n TRP 60 Ca -0.02 -0.82 -0.27 0.00 2.07 0.00 0.00 57.50 58.46 2d4f n TRP 60 Cb 0.12 -0.33 -0.17 0.00 -0.81 0.00 0.00 31.31 30.13 2d4f n TRP 60 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 2d4f s SER 61 N -1.62 2.78 0.17 -0.67 0.15 -0.76 -4.50 113.70 109.25 2d4f s SER 61 Ca 0.44 -0.76 0.05 0.00 0.70 0.00 0.00 55.95 56.37 2d4f s SER 61 Cb 0.34 -0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 2d4f s SER 61 CO 0.11 -0.30 0.18 -0.36 1.20 0.00 0.00 173.24 174.07 2d4f s PHE 62 N 1.89 3.22 -0.03 3.44 0.40 -0.55 -1.36 117.98 124.99 2d4f s PHE 62 Ca -0.00 -0.00 -0.01 0.00 -0.60 0.00 0.00 56.93 56.32 2d4f s PHE 62 Cb -0.17 -1.53 0.03 0.00 0.51 0.00 0.00 43.02 41.86 2d4f s PHE 62 CO -0.08 0.52 0.06 0.71 0.70 0.00 0.00 175.22 177.13 2d4f s TYR 63 N -1.80 -0.02 -0.08 0.36 1.51 -0.19 -0.61 117.35 116.52 2d4f s TYR 63 Ca 0.32 0.21 0.01 0.00 -1.01 0.00 0.00 57.07 56.60 2d4f s TYR 63 Cb -0.10 -0.18 0.02 0.00 -0.11 0.00 0.00 41.96 41.59 2d4f s TYR 63 CO 0.25 -0.10 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.31 2d4f s LEU 64 N 1.01 1.47 -0.24 -1.29 2.96 0.60 -0.99 118.68 122.20 2d4f s LEU 64 Ca -0.08 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 53.47 2d4f s LEU 64 Cb -0.12 -0.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.74 2d4f s LEU 64 CO -0.03 -0.03 0.03 -0.22 -1.32 0.00 0.00 176.35 174.78 2d4f s LEU 65 N 1.05 3.28 -0.22 -0.68 2.96 -0.12 -0.36 118.68 124.59 2d4f s LEU 65 Ca -0.07 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2d4f s LEU 65 Cb -0.15 -1.85 0.05 0.00 0.50 0.00 0.00 46.19 44.74 2d4f s LEU 65 CO -0.01 -0.05 -0.10 -0.47 -1.32 0.00 0.00 176.35 174.41 2d4f s TYR 66 N 1.55 2.57 0.07 5.38 5.04 -0.27 -0.69 117.35 131.00 2d4f s TYR 66 Ca 0.06 -1.75 -0.12 0.00 -2.44 0.00 0.00 57.07 52.82 2d4f s TYR 66 Cb -0.15 -1.69 0.01 0.00 0.35 0.00 0.00 41.96 40.49 2d4f s TYR 66 CO 0.01 -0.78 0.26 1.52 -1.34 0.00 0.00 175.55 175.23 2d4f s TYR 67 N 1.34 -0.01 0.12 4.97 -0.85 -0.60 -0.20 117.35 122.12 2d4f s TYR 67 Ca -0.03 -0.27 -0.23 0.00 -0.52 0.00 0.00 57.07 56.02 2d4f s TYR 67 Cb -0.17 0.05 0.06 0.00 0.38 0.00 0.00 41.96 42.28 2d4f s TYR 67 CO -0.07 -0.53 0.57 -0.08 -1.52 0.00 0.00 175.55 173.91 2d4f s THR 68 N -3.17 0.01 0.36 -3.49 -1.32 -0.76 -1.85 115.64 105.43 2d4f s THR 68 Ca -0.01 -0.12 -0.28 0.00 -1.21 0.00 0.00 61.69 60.08 2d4f s THR 68 Cb 0.01 -1.02 -0.11 0.00 -1.51 0.00 0.00 72.50 69.88 2d4f s THR 68 CO -0.07 -0.06 1.41 -0.70 -2.21 0.00 0.00 174.62 172.98 2d4f s GLU 69 N -3.31 4.19 0.23 7.08 2.12 -1.26 -1.04 118.70 126.71 2d4f s GLU 69 Ca -0.01 2.42 -0.10 0.00 0.36 0.00 0.00 54.97 57.64 2d4f s GLU 69 Cb -0.00 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.38 2d4f s GLU 69 CO -0.09 -0.40 0.39 -0.59 -0.54 0.00 0.00 175.26 174.03 2d4f s PHE 70 N -1.13 0.52 -0.48 5.30 -0.71 0.11 -4.84 117.98 116.75 2d4f s PHE 70 Ca 0.51 -0.85 0.04 0.00 -1.04 0.00 0.00 56.93 55.59 2d4f s PHE 70 Cb -0.44 0.01 0.16 0.00 -1.21 0.00 0.00 43.02 41.55 2d4f s PHE 70 CO 0.59 -0.89 0.36 0.99 -1.34 0.00 0.00 175.22 174.92 2d4f s THR 71 N -4.04 1.08 0.33 -4.49 2.01 -1.26 -4.23 115.64 105.03 2d4f s THR 71 Ca 0.25 -2.97 -0.28 0.00 0.31 0.00 0.00 61.69 59.00 2d4f s THR 71 Cb 0.01 -1.73 -0.10 0.00 0.01 0.00 0.00 72.50 70.69 2d4f s THR 71 CO 0.09 -1.12 1.20 -2.16 -0.69 0.00 0.00 174.62 171.93 2d4f s PRO 72 N -0.21 4.40 0.43 4.92 0.04 -1.26 -5.05 135.00 138.27 2d4f s PRO 72 Ca 0.28 1.98 0.07 0.00 0.04 0.00 0.00 61.00 63.37 2d4f s PRO 72 Cb -0.03 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.45 2d4f s PRO 72 CO -0.15 -0.06 0.33 0.95 0.04 0.00 0.00 177.00 178.11 2d4f s THR 73 N -1.21 2.45 0.56 1.26 -4.23 -1.26 -5.02 115.64 108.19 2d4f s THR 73 Ca 0.49 -1.45 0.25 0.00 -1.18 0.00 0.00 61.69 59.80 2d4f s THR 73 Cb -0.35 -2.90 0.34 0.00 1.34 0.00 0.00 72.50 70.93 2d4f s THR 73 CO 0.45 0.00 2.13 -0.33 -0.54 0.00 0.00 174.62 176.34 2d4f h GLU 74 N 1.09 0.00 0.02 3.99 4.39 -1.97 -3.14 114.58 118.97 2d4f h GLU 74 Ca -0.41 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.01 2d4f h GLU 74 Cb 1.27 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.88 2d4f h GLU 74 CO 0.60 0.00 -1.55 1.57 -1.16 0.00 0.00 179.01 178.47 2d4f h LYS 75 N 0.00 0.04 -6.85 2.33 2.10 -1.95 -3.47 116.57 108.77 2d4f h LYS 75 Ca 0.07 -0.06 -0.48 0.00 -2.00 0.00 0.00 60.65 58.18 2d4f h LYS 75 Cb 0.32 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 2d4f h LYS 75 CO -0.00 0.70 0.36 -0.51 -2.00 0.00 0.00 179.45 178.00 2d4f s ASP 76 N -6.36 7.37 -0.16 7.07 1.01 -1.19 -5.04 116.67 119.37 2d4f s ASP 76 Ca -0.05 1.92 -0.04 0.00 0.71 0.00 0.00 52.55 55.09 2d4f s ASP 76 Cb 0.08 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 2d4f s ASP 76 CO 0.82 -0.04 -0.03 -1.83 0.21 0.00 0.00 175.17 174.30 2d4f s GLU 77 N -1.79 3.68 0.13 8.23 -1.05 -1.26 -4.80 118.70 121.84 2d4f s GLU 77 Ca 0.48 -0.51 0.09 0.00 -0.15 0.00 0.00 54.97 54.87 2d4f s GLU 77 Cb -0.22 -2.95 -0.04 0.00 -0.44 0.00 0.00 34.13 30.48 2d4f s GLU 77 CO 0.28 0.22 -0.14 0.71 0.95 0.00 0.00 175.26 177.27 2d4f s TYR 78 N 0.44 2.60 0.21 4.83 1.51 -1.26 -0.47 117.35 125.21 2d4f s TYR 78 Ca -0.03 -0.23 -0.17 0.00 -1.01 0.00 0.00 57.07 55.63 2d4f s TYR 78 Cb -0.14 -1.34 0.02 0.00 -0.11 0.00 0.00 41.96 40.39 2d4f s TYR 78 CO 0.03 0.43 0.53 0.00 -1.11 0.00 0.00 175.55 175.43 2d4f s ALA 79 N -1.33 -0.84 -0.08 3.71 0.00 -0.71 -0.09 121.76 122.42 2d4f s ALA 79 Ca 0.21 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.87 2d4f s ALA 79 Cb -0.10 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 2d4f s ALA 79 CO 0.12 -0.83 -0.24 0.00 0.00 0.00 0.00 175.76 174.81 2d4f s ARG 81 N 0.07 3.16 -0.06 0.00 3.52 0.76 -0.36 118.95 126.04 2d4f s ARG 81 Ca -0.11 -0.78 0.03 0.00 -0.13 0.00 0.00 55.73 54.75 2d4f s ARG 81 Cb -0.16 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.68 2d4f s ARG 81 CO 0.06 0.03 -0.16 0.08 -0.81 0.00 0.00 175.30 174.50 2d4f s VAL 82 N 0.76 1.43 -0.05 7.11 1.01 0.06 -0.79 120.40 129.93 2d4f s VAL 82 Ca -0.07 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.29 2d4f s VAL 82 Cb -0.16 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2d4f s VAL 82 CO 0.00 0.42 -0.22 0.20 0.00 0.00 0.00 175.10 175.50 2d4f s ASN 83 N 0.36 3.36 0.07 3.32 0.01 -0.00 -1.06 114.94 121.00 2d4f s ASN 83 Ca -0.11 -0.42 -0.23 0.00 -0.71 0.00 0.00 52.86 51.39 2d4f s ASN 83 Cb -0.15 -0.79 0.06 0.00 0.41 0.00 0.00 41.25 40.79 2d4f s ASN 83 CO 0.04 0.28 0.56 -2.28 -1.51 0.00 0.00 177.10 174.19 2d4f s HIS 84 N -0.35 -0.47 0.58 2.20 2.46 -1.26 -1.32 115.29 117.12 2d4f s HIS 84 Ca 0.02 0.48 0.28 0.00 0.47 0.00 0.00 55.06 56.32 2d4f s HIS 84 Cb -0.12 0.41 1.71 0.00 -0.13 0.00 0.00 32.58 34.44 2d4f s HIS 84 CO 0.02 -0.70 2.19 -0.39 -2.47 0.00 0.00 174.74 173.39 2d4f h VAL 85 N 2.56 0.56 0.00 0.89 -1.51 -1.94 -1.43 116.25 115.38 2d4f h VAL 85 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 2d4f h VAL 85 Cb 1.23 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2d4f h VAL 85 CO 0.40 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.09 2d4f n THR 86 N -3.92 0.26 -3.73 7.19 -2.24 -1.26 -4.65 114.28 105.93 2d4f n THR 86 Ca -0.01 -0.11 -0.38 0.00 -2.27 0.00 0.00 64.05 61.28 2d4f n THR 86 Cb 0.17 -0.55 -0.12 0.00 -2.10 0.00 0.00 70.33 67.73 2d4f n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2d4f s LEU 87 N -3.62 4.58 0.42 3.22 1.43 -0.54 -4.97 118.68 119.19 2d4f s LEU 87 Ca 0.12 -1.31 0.10 0.00 -1.03 0.00 0.00 54.13 52.01 2d4f s LEU 87 Cb 0.16 -1.88 0.90 0.00 0.03 0.00 0.00 46.19 45.40 2d4f s LEU 87 CO 0.55 -0.39 2.00 0.77 0.23 0.00 0.00 176.35 179.51 2d4f h SER 88 N 8.23 0.26 -3.39 2.29 4.64 -1.82 -3.42 113.55 120.34 2d4f h SER 88 Ca -0.22 -0.03 -0.60 0.00 -0.47 0.00 0.00 61.79 60.47 2d4f h SER 88 Cb 1.08 -0.07 -0.19 0.00 -0.31 0.00 0.00 62.40 62.92 2d4f h SER 88 CO 0.64 0.30 -0.81 -1.10 -0.87 0.00 0.00 176.83 174.99 2d4f s GLN 89 N -5.02 1.40 0.31 4.77 -1.52 -1.26 -5.11 119.66 113.22 2d4f s GLN 89 Ca -0.06 -1.46 -0.29 0.00 -1.95 0.00 0.00 55.36 51.60 2d4f s GLN 89 Cb 0.16 -1.62 -0.13 0.00 -0.22 0.00 0.00 33.01 31.20 2d4f s GLN 89 CO 0.72 0.35 1.31 -2.30 -0.25 0.00 0.00 175.29 175.11 2d4f n PRO 90 N 0.33 2.06 -3.57 2.91 -0.02 -1.26 -4.94 135.00 130.51 2d4f n PRO 90 Ca -0.13 0.73 -0.37 0.00 -2.02 0.00 0.00 63.50 61.71 2d4f n PRO 90 Cb 0.56 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.64 2d4f n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2d4f s LYS 91 N -1.42 4.16 -0.19 -0.52 2.20 -0.22 -4.93 119.74 118.82 2d4f s LYS 91 Ca 0.59 -0.05 -0.01 0.00 -0.36 0.00 0.00 55.97 56.14 2d4f s LYS 91 Cb -0.60 -3.50 0.01 0.00 -1.51 0.00 0.00 37.83 32.23 2d4f s LYS 91 CO 0.58 0.10 -0.14 0.42 -0.36 0.00 0.00 175.35 175.95 2d4f s ILE 92 N 0.92 2.55 -0.21 5.43 1.01 -1.26 -0.76 121.20 128.88 2d4f s ILE 92 Ca 0.13 -0.77 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 2d4f s ILE 92 Cb -0.13 -2.11 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 2d4f s ILE 92 CO 0.04 0.50 -0.07 -0.69 0.00 0.00 0.00 174.94 174.72 2d4f s VAL 93 N 1.36 3.18 0.37 2.92 1.01 0.51 -4.95 120.40 124.80 2d4f s VAL 93 Ca 0.05 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 2d4f s VAL 93 Cb -0.13 -2.43 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 2d4f s VAL 93 CO -0.09 0.44 1.04 -0.54 0.00 0.00 0.00 175.10 175.95 2d4f s LYS 94 N 1.39 4.31 -0.12 2.72 1.02 -1.26 -0.76 119.74 127.04 2d4f s LYS 94 Ca 0.05 1.53 -0.29 0.00 0.02 0.00 0.00 55.97 57.28 2d4f s LYS 94 Cb -0.14 -2.69 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 2d4f s LYS 94 CO -0.04 -0.02 1.15 -0.46 -0.92 0.00 0.00 175.35 175.07 2d4f s TRP 95 N -1.56 3.18 -0.18 3.18 -0.00 0.87 -4.83 118.94 119.59 2d4f s TRP 95 Ca 0.54 1.27 -0.29 0.00 -0.00 0.00 0.00 56.10 57.62 2d4f s TRP 95 Cb -0.23 -3.38 -0.00 0.00 -0.00 0.00 0.00 33.47 29.86 2d4f s TRP 95 CO 0.29 -1.08 1.15 0.34 -0.00 0.00 0.00 176.95 177.65 2d4f s ASP 96 N 1.50 7.03 0.00 5.86 -1.08 -1.26 -4.69 116.67 124.03 2d4f s ASP 96 Ca 0.52 1.56 0.00 0.00 -0.52 0.00 0.00 52.55 54.11 2d4f s ASP 96 Cb -0.21 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.71 2d4f s ASP 96 CO 0.17 -0.70 0.00 0.54 0.52 0.00 0.00 175.17 175.70