#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c1f s HIS 8 N 0.00 1.27 0.19 -1.77 -3.43 -1.26 -5.12 115.29 105.17 3c1f s HIS 8 Ca 0.00 -0.50 -0.26 0.00 -0.80 0.00 0.00 55.06 53.50 3c1f s HIS 8 Cb 0.00 -0.70 -0.08 0.00 -1.43 0.00 0.00 32.58 30.37 3c1f s HIS 8 CO 0.00 0.08 0.81 0.15 -2.00 0.00 0.00 174.74 173.78 3c1f s LYS 9 N -2.06 4.61 0.07 -0.38 1.02 -1.26 -4.45 119.74 117.30 3c1f s LYS 9 Ca 0.02 1.22 0.09 0.00 0.02 0.00 0.00 55.97 57.32 3c1f s LYS 9 Cb -0.08 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 3c1f s LYS 9 CO 0.02 0.54 -0.25 -1.21 -0.92 0.00 0.00 175.35 173.54 3c1f s GLU 10 N -1.23 1.57 0.58 1.68 2.02 0.23 -4.94 118.70 118.61 3c1f s GLU 10 Ca 0.38 -1.14 -0.14 0.00 0.02 0.00 0.00 54.97 54.09 3c1f s GLU 10 Cb -0.23 -1.82 -0.05 0.00 0.10 0.00 0.00 34.13 32.13 3c1f s GLU 10 CO 0.27 0.46 1.02 -1.25 0.02 0.00 0.00 175.26 175.78 3c1f s PRO 11 N -1.48 3.63 0.19 0.39 0.04 -1.26 -0.03 135.00 136.48 3c1f s PRO 11 Ca 0.11 0.94 -0.21 0.00 0.04 0.00 0.00 61.00 61.88 3c1f s PRO 11 Cb -0.10 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.41 3c1f s PRO 11 CO 0.03 -0.54 0.60 0.00 0.04 0.00 0.00 177.00 177.13 3c1f s ALA 12 N -2.81 -1.36 -0.01 8.56 0.00 -0.77 -4.59 121.76 120.78 3c1f s ALA 12 Ca 0.58 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.77 3c1f s ALA 12 Cb -0.12 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 3c1f s ALA 12 CO 0.41 -0.83 -0.20 0.99 0.00 0.00 0.00 175.76 176.14 3c1f s THR 13 N -3.81 1.60 0.07 0.00 2.01 -0.82 -4.00 115.64 110.70 3c1f s THR 13 Ca 0.05 -0.92 -0.34 0.00 0.31 0.00 0.00 61.69 60.79 3c1f s THR 13 Cb -0.02 -1.34 -0.13 0.00 0.01 0.00 0.00 72.50 71.02 3c1f s THR 13 CO -0.07 0.41 1.71 -0.11 -0.69 0.00 0.00 174.62 175.87 3c1f n LEU 14 N 2.46 3.31 -0.10 4.42 7.94 -1.26 0.13 117.00 133.90 3c1f n LEU 14 Ca -0.15 1.04 -0.18 0.00 -1.11 0.00 0.00 56.01 55.60 3c1f n LEU 14 Cb 0.53 -1.42 -0.08 0.00 0.53 0.00 0.00 43.42 42.98 3c1f n LEU 14 CO 0.24 -0.16 -0.66 -0.38 -1.11 0.00 0.00 177.39 175.32 3c1f n ILE 15 N 4.13 1.50 -3.65 1.96 5.41 0.08 -4.72 119.36 124.06 3c1f n ILE 15 Ca 0.19 -0.01 -0.09 0.00 1.00 0.00 0.00 62.75 63.84 3c1f n ILE 15 Cb 0.30 -2.13 -0.08 0.00 -0.71 0.00 0.00 39.64 37.02 3c1f n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3c1f s LYS 16 N -2.40 0.66 0.32 0.38 2.20 0.18 -5.00 119.74 116.09 3c1f s LYS 16 Ca -0.27 1.10 -0.29 0.00 -0.36 0.00 0.00 55.97 56.15 3c1f s LYS 16 Cb 0.06 0.15 -0.11 0.00 -1.51 0.00 0.00 37.83 36.42 3c1f s LYS 16 CO 0.46 -0.14 1.56 0.00 -0.36 0.00 0.00 175.35 176.87 3c1f s ALA 17 N 1.40 3.68 0.00 3.13 0.00 -1.26 0.27 121.76 128.98 3c1f s ALA 17 Ca -0.08 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.46 3c1f s ALA 17 Cb -0.06 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3c1f s ALA 17 CO -0.15 -1.02 0.00 -0.89 0.00 0.00 0.00 175.76 173.70 3c1f n ILE 18 N 1.53 0.00 -2.94 0.00 5.41 -1.14 -4.82 119.36 117.40 3c1f n ILE 18 Ca 0.05 0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.99 3c1f n ILE 18 Cb 0.38 -1.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.21 3c1f n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3c1f n ASP 19 N -2.08 0.00 0.26 4.38 5.75 -0.95 -5.00 116.55 118.91 3c1f n ASP 19 Ca 0.00 -0.09 0.09 0.00 -0.01 0.00 0.00 54.79 54.78 3c1f n ASP 19 Cb 0.00 0.00 0.67 0.00 -1.03 0.00 0.00 41.12 40.76 3c1f n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3c1f h GLY 20 N 0.00 0.00 -0.20 6.12 0.00 -1.82 -3.26 103.07 103.90 3c1f h GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3c1f h GLY 20 CO 0.00 0.00 -0.10 2.09 0.00 0.00 0.00 176.54 178.53 3c1f n ASP 21 N -4.28 0.79 -4.14 0.19 5.68 -1.26 -4.72 116.55 108.82 3c1f n ASP 21 Ca -0.03 -1.71 -0.17 0.00 -0.50 0.00 0.00 54.79 52.38 3c1f n ASP 21 Cb 0.13 -0.09 -0.12 0.00 -1.14 0.00 0.00 41.12 39.90 3c1f n ASP 21 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3c1f s THR 22 N -0.61 0.94 -0.24 2.12 -4.23 -1.23 -1.15 115.64 111.24 3c1f s THR 22 Ca 0.04 -1.23 -0.17 0.00 -1.18 0.00 0.00 61.69 59.15 3c1f s THR 22 Cb 0.03 -0.93 0.07 0.00 1.34 0.00 0.00 72.50 73.01 3c1f s THR 22 CO 0.00 -0.26 0.62 0.54 -0.54 0.00 0.00 174.62 174.98 3c1f s VAL 23 N -1.29 -0.00 -0.22 2.29 0.11 -0.73 -2.24 120.40 118.32 3c1f s VAL 23 Ca -0.04 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 58.84 3c1f s VAL 23 Cb -0.10 -0.88 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 3c1f s VAL 23 CO 0.02 0.01 0.51 -0.75 -3.33 0.00 0.00 175.10 171.55 3c1f s LYS 24 N 1.05 4.15 0.15 1.54 2.47 0.14 0.27 119.74 129.52 3c1f s LYS 24 Ca -0.06 0.37 0.06 0.00 -1.56 0.00 0.00 55.97 54.78 3c1f s LYS 24 Cb -0.05 -3.59 -0.04 0.00 -1.46 0.00 0.00 37.83 32.69 3c1f s LYS 24 CO -0.10 -0.20 -0.13 -0.51 0.16 0.00 0.00 175.35 174.57 3c1f s LEU 25 N 1.82 2.49 -0.46 5.43 1.43 0.17 -0.65 118.68 128.91 3c1f s LEU 25 Ca 0.23 -0.94 -0.21 0.00 -1.03 0.00 0.00 54.13 52.18 3c1f s LEU 25 Cb -0.15 -0.52 0.03 0.00 0.03 0.00 0.00 46.19 45.58 3c1f s LEU 25 CO 0.09 -0.21 0.67 -0.04 0.23 0.00 0.00 176.35 177.09 3c1f s MET 26 N -3.31 3.26 -0.17 1.70 -1.94 0.35 -0.01 119.30 119.18 3c1f s MET 26 Ca 0.15 -0.45 0.01 0.00 -1.71 0.00 0.00 55.69 53.69 3c1f s MET 26 Cb -0.01 -3.99 0.03 0.00 2.01 0.00 0.00 34.83 32.87 3c1f s MET 26 CO 0.03 -1.09 -0.14 -0.47 -0.01 0.00 0.00 175.02 173.34 3c1f s TYR 27 N 2.89 2.39 -1.47 -0.03 5.04 0.74 -1.94 117.35 124.98 3c1f s TYR 27 Ca 0.22 -1.43 -0.11 0.00 -2.44 0.00 0.00 57.07 53.30 3c1f s TYR 27 Cb -0.15 -1.69 0.08 0.00 0.35 0.00 0.00 41.96 40.55 3c1f s TYR 27 CO 0.18 -0.72 0.77 1.63 -1.34 0.00 0.00 175.55 176.06 3c1f n LYS 28 N 4.71 -4.64 -0.26 4.97 5.02 -1.26 -1.78 118.16 124.92 3c1f n LYS 28 Ca -0.17 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 3c1f n LYS 28 Cb 0.49 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 30.09 3c1f n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3c1f n GLY 29 N -1.49 1.26 3.45 0.72 0.00 -1.26 -5.05 105.19 102.83 3c1f n GLY 29 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3c1f n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3c1f s GLN 30 N -0.44 2.43 0.02 1.61 -1.52 -0.73 -5.10 119.66 115.93 3c1f s GLN 30 Ca 0.00 -0.74 -0.30 0.00 -1.95 0.00 0.00 55.36 52.36 3c1f s GLN 30 Cb 0.00 -2.32 -0.06 0.00 -0.22 0.00 0.00 33.01 30.41 3c1f s GLN 30 CO 0.00 0.61 1.35 -1.25 -0.25 0.00 0.00 175.29 175.75 3c1f s PRO 31 N -0.75 4.32 -0.03 2.91 0.04 -1.26 -0.18 135.00 140.04 3c1f s PRO 31 Ca 0.11 1.93 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 3c1f s PRO 31 Cb -0.10 -3.48 0.03 0.00 0.04 0.00 0.00 34.50 30.99 3c1f s PRO 31 CO 0.01 -0.49 0.05 1.41 0.04 0.00 0.00 177.00 178.01 3c1f s MET 32 N 1.96 -0.04 -0.09 4.56 1.75 0.99 -4.94 119.30 123.48 3c1f s MET 32 Ca 0.63 0.26 -0.30 0.00 -1.25 0.00 0.00 55.69 55.03 3c1f s MET 32 Cb -0.32 -0.32 -0.02 0.00 2.84 0.00 0.00 34.83 37.01 3c1f s MET 32 CO 0.27 -0.22 1.13 0.99 -0.65 0.00 0.00 175.02 176.55 3c1f s THR 33 N 1.41 4.45 -0.14 10.11 2.01 -1.26 -0.66 115.64 131.56 3c1f s THR 33 Ca -0.05 1.75 -0.06 0.00 0.31 0.00 0.00 61.69 63.64 3c1f s THR 33 Cb -0.13 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 3c1f s THR 33 CO -0.03 -0.02 0.07 -0.36 -0.69 0.00 0.00 174.62 173.59 3c1f s PHE 34 N 2.30 3.34 -0.14 4.92 0.40 0.14 -0.93 117.98 128.00 3c1f s PHE 34 Ca 0.53 0.25 -0.05 0.00 -0.60 0.00 0.00 56.93 57.07 3c1f s PHE 34 Cb -0.22 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.31 3c1f s PHE 34 CO 0.19 0.42 0.02 0.50 0.70 0.00 0.00 175.22 177.05 3c1f s ARG 35 N -0.38 3.57 -0.12 0.44 6.06 0.24 -1.77 118.95 126.99 3c1f s ARG 35 Ca 0.10 -0.41 -0.30 0.00 -2.50 0.00 0.00 55.73 52.62 3c1f s ARG 35 Cb -0.12 -3.00 -0.02 0.00 0.06 0.00 0.00 34.95 31.88 3c1f s ARG 35 CO 0.02 0.41 1.12 -0.51 -2.50 0.00 0.00 175.30 173.84 3c1f s LEU 36 N -0.06 4.22 0.24 -0.88 1.02 -0.30 -2.51 118.68 120.41 3c1f s LEU 36 Ca 0.04 1.63 -0.31 0.00 0.02 0.00 0.00 54.13 55.51 3c1f s LEU 36 Cb -0.13 -3.55 -0.13 0.00 0.02 0.00 0.00 46.19 42.40 3c1f s LEU 36 CO 0.02 -0.59 1.45 0.18 0.02 0.00 0.00 176.35 177.43 3c1f n LEU 37 N 5.59 3.31 -0.11 1.79 4.77 -0.25 -3.23 117.00 128.88 3c1f n LEU 37 Ca 0.11 1.14 -0.01 0.00 -0.03 0.00 0.00 56.01 57.21 3c1f n LEU 37 Cb 0.47 -1.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.09 3c1f n LEU 37 CO 0.54 -0.37 -0.01 0.18 -1.33 0.00 0.00 177.39 176.40 3c1f n LEU 38 N 2.24 0.18 -4.36 2.23 4.77 -1.25 -4.90 117.00 115.90 3c1f n LEU 38 Ca 0.11 0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.83 3c1f n LEU 38 Cb 0.32 -1.22 -0.14 0.00 -2.33 0.00 0.00 43.42 40.05 3c1f n LEU 38 CO 0.63 -0.36 -0.56 -0.69 -1.33 0.00 0.00 177.39 175.08 3c1f s VAL 39 N -1.77 2.21 -0.18 4.08 1.01 -1.20 -2.14 120.40 122.41 3c1f s VAL 39 Ca 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 61.98 60.55 3c1f s VAL 39 Cb 0.00 -1.88 0.06 0.00 0.00 0.00 0.00 36.38 34.56 3c1f s VAL 39 CO 0.00 0.34 0.04 -0.62 0.00 0.00 0.00 175.10 174.86 3c1f s ASP 40 N -1.33 2.65 0.28 3.32 2.15 -0.17 -4.68 116.67 118.89 3c1f s ASP 40 Ca 0.12 -0.70 -0.02 0.00 0.43 0.00 0.00 52.55 52.38 3c1f s ASP 40 Cb -0.10 -0.50 -0.04 0.00 -0.30 0.00 0.00 42.92 41.97 3c1f s ASP 40 CO 0.03 -0.30 0.50 0.42 -0.17 0.00 0.00 175.17 175.65 3c1f s THR 41 N 1.93 5.10 0.67 1.71 -4.23 -1.26 -2.22 115.64 117.34 3c1f s THR 41 Ca 0.00 -0.23 -0.17 0.00 -1.18 0.00 0.00 61.69 60.11 3c1f s THR 41 Cb -0.16 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.91 3c1f s THR 41 CO -0.08 -0.35 1.26 -2.84 -0.54 0.00 0.00 174.62 172.07 3c1f s PRO 42 N -3.72 2.43 0.84 3.99 0.02 -1.26 -4.96 135.00 132.33 3c1f s PRO 42 Ca 0.41 1.96 -0.10 0.00 0.02 0.00 0.00 61.00 63.29 3c1f s PRO 42 Cb -0.10 -1.84 0.10 0.00 0.02 0.00 0.00 34.50 32.67 3c1f s PRO 42 CO 0.32 -1.66 1.12 -1.21 -0.33 0.00 0.00 177.00 175.24 3c1f s GLU 43 N -3.53 1.66 0.50 5.54 0.41 -1.26 -4.54 118.70 117.47 3c1f s GLU 43 Ca 0.80 1.38 0.26 0.00 -0.41 0.00 0.00 54.97 56.99 3c1f s GLU 43 Cb -0.35 -1.81 1.30 0.00 -1.78 0.00 0.00 34.13 31.49 3c1f s GLU 43 CO 0.41 -2.13 2.01 0.35 -0.49 0.00 0.00 175.26 175.41 3c1f h PHE 50 N -1.44 0.00 -0.57 1.61 3.57 -1.94 -0.51 116.94 117.65 3c1f h PHE 50 Ca -0.43 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3c1f h PHE 50 Cb 1.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3c1f h PHE 50 CO 0.54 0.16 0.00 0.27 -2.23 0.00 0.00 178.31 177.04 3c1f n ASN 51 N -3.63 3.08 -4.52 0.41 0.23 -1.26 -3.49 115.26 106.08 3c1f n ASN 51 Ca -0.01 -2.01 -0.20 0.00 -0.53 0.00 0.00 54.58 51.83 3c1f n ASN 51 Cb 0.29 -0.39 0.09 0.00 -2.08 0.00 0.00 39.78 37.69 3c1f n ASN 51 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3c1f n GLU 52 N 1.17 0.22 -2.09 -3.83 1.02 -0.20 -5.02 120.64 111.92 3c1f n GLU 52 Ca 0.19 -2.69 -0.42 0.00 -0.02 0.00 0.00 57.16 54.22 3c1f n GLU 52 Cb 0.49 -0.46 -0.03 0.00 -0.02 0.00 0.00 31.44 31.42 3c1f n GLU 52 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3c1f s LYS 53 N -4.73 4.25 0.00 3.49 2.47 -1.26 -2.91 119.74 121.05 3c1f s LYS 53 Ca 0.60 2.14 0.00 0.00 -1.56 0.00 0.00 55.97 57.15 3c1f s LYS 53 Cb -0.04 -3.56 0.00 0.00 -1.46 0.00 0.00 37.83 32.77 3c1f s LYS 53 CO 0.39 -0.64 0.00 0.66 0.16 0.00 0.00 175.35 175.92 3c1f n TYR 54 N 5.36 0.00 0.01 4.03 4.01 -1.26 -4.80 117.16 124.50 3c1f n TYR 54 Ca 0.14 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.78 3c1f n TYR 54 Cb 0.42 -0.64 -0.05 0.00 -0.31 0.00 0.00 39.34 38.76 3c1f n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3c1f h GLY 55 N 0.00 0.07 1.52 2.72 0.00 -1.67 -0.33 103.07 105.38 3c1f h GLY 55 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 3c1f h GLY 55 CO 0.00 -0.02 -0.12 -2.55 0.00 0.00 0.00 176.54 173.86 3c1f h PRO 56 N 0.02 0.58 -0.48 4.80 0.11 -1.79 -0.58 132.00 134.66 3c1f h PRO 56 Ca 0.04 -0.17 -0.05 0.00 0.11 0.00 0.00 66.00 65.92 3c1f h PRO 56 Cb 0.04 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 3c1f h PRO 56 CO -0.06 0.69 0.08 0.93 -0.21 0.00 0.00 178.00 179.42 3c1f h GLU 57 N 0.53 0.74 -0.05 1.05 3.07 -1.89 -1.46 114.58 116.58 3c1f h GLU 57 Ca 0.10 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 3c1f h GLU 57 Cb 0.52 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3c1f h GLU 57 CO 0.03 0.70 -0.03 0.00 -1.40 0.00 0.00 179.01 178.31 3c1f h ALA 58 N 1.38 0.07 -0.58 3.43 0.00 -0.36 -0.65 119.26 122.55 3c1f h ALA 58 Ca 0.15 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3c1f h ALA 58 Cb 0.32 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3c1f h ALA 58 CO 0.00 -0.19 0.27 0.77 0.00 0.00 0.00 179.25 180.11 3c1f h SER 59 N -0.30 0.36 -0.45 0.00 0.02 -1.08 -1.79 113.55 110.32 3c1f h SER 59 Ca 0.01 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3c1f h SER 59 Cb 0.47 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3c1f h SER 59 CO 0.01 0.24 0.20 0.00 -1.14 0.00 0.00 176.83 176.14 3c1f h ALA 60 N 1.34 0.58 0.23 3.77 0.00 -1.26 -1.64 119.26 122.28 3c1f h ALA 60 Ca 0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3c1f h ALA 60 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3c1f h ALA 60 CO -0.21 0.16 -0.19 0.35 0.00 0.00 0.00 179.25 179.36 3c1f h PHE 61 N 0.59 -0.50 -0.78 0.00 3.57 -0.74 -1.36 116.94 117.72 3c1f h PHE 61 Ca 0.15 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 3c1f h PHE 61 Cb 0.15 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 3c1f h PHE 61 CO -0.01 -0.29 0.32 1.15 -2.23 0.00 0.00 178.31 177.25 3c1f h THR 62 N -0.43 1.26 -0.18 4.41 2.02 -1.31 -2.34 112.91 116.34 3c1f h THR 62 Ca -0.01 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 3c1f h THR 62 Cb 0.39 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3c1f h THR 62 CO -0.02 0.33 0.07 0.50 0.37 0.00 0.00 175.52 176.77 3c1f h LYS 63 N 1.14 0.26 -0.64 6.66 3.64 -1.22 0.15 116.57 126.56 3c1f h LYS 63 Ca 0.26 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 3c1f h LYS 63 Cb 0.21 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3c1f h LYS 63 CO -0.02 0.33 0.08 -0.22 -2.27 0.00 0.00 179.45 177.34 3c1f h LYS 64 N 0.14 1.08 -0.23 1.90 3.64 -1.14 0.28 116.57 122.23 3c1f h LYS 64 Ca 0.06 -0.31 -0.08 0.00 -1.27 0.00 0.00 60.65 59.05 3c1f h LYS 64 Cb 0.16 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3c1f h LYS 64 CO -0.01 1.01 -0.16 1.98 -2.27 0.00 0.00 179.45 180.00 3c1f h MET 65 N 1.00 0.52 -0.16 1.90 4.05 -1.18 -1.40 114.93 119.67 3c1f h MET 65 Ca 0.19 -0.25 -0.21 0.00 -0.28 0.00 0.00 59.70 59.15 3c1f h MET 65 Cb 0.47 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.28 3c1f h MET 65 CO 0.02 0.82 -0.74 -0.39 0.23 0.00 0.00 176.91 176.84 3c1f h VAL 66 N 0.22 1.29 -0.44 -5.77 -1.51 -0.61 -3.10 116.25 106.33 3c1f h VAL 66 Ca 0.04 -1.97 -0.05 0.00 -1.23 0.00 0.00 66.70 63.49 3c1f h VAL 66 Cb 0.69 1.96 -0.02 0.00 -2.13 0.00 0.00 31.29 31.79 3c1f h VAL 66 CO 0.04 0.62 0.05 -0.33 -1.23 0.00 0.00 177.57 176.73 3c1f h GLU 67 N 0.51 0.69 0.00 5.19 5.08 -0.37 -3.09 114.58 122.60 3c1f h GLU 67 Ca -0.04 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 3c1f h GLU 67 Cb 1.36 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3c1f h GLU 67 CO 0.15 0.68 -0.38 -0.91 -1.00 0.00 0.00 179.01 177.55 3c1f h ASN 68 N 0.66 0.00 -2.87 1.42 2.35 -1.33 -3.47 115.58 112.35 3c1f h ASN 68 Ca 0.14 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.36 3c1f h ASN 68 Cb 0.34 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.78 3c1f h ASN 68 CO 0.01 0.35 0.91 0.00 -1.65 0.00 0.00 177.43 177.04 3c1f n ALA 69 N -2.19 2.47 -0.03 -0.83 0.00 -1.17 -4.91 120.51 113.85 3c1f n ALA 69 Ca 0.02 0.39 -0.17 0.00 0.00 0.00 0.00 53.44 53.69 3c1f n ALA 69 Cb 0.67 -2.47 -0.07 0.00 0.00 0.00 0.00 19.45 17.59 3c1f n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3c1f h LYS 70 N 5.72 0.80 -4.72 0.00 1.57 -1.91 -3.44 116.57 114.59 3c1f h LYS 70 Ca -0.45 -0.63 -0.58 0.00 -1.87 0.00 0.00 60.65 57.12 3c1f h LYS 70 Cb 1.22 0.12 -0.35 0.00 0.08 0.00 0.00 32.23 33.31 3c1f h LYS 70 CO 0.87 1.24 -0.83 -1.59 -0.57 0.00 0.00 179.45 178.57 3c1f s LYS 71 N -3.81 2.19 -0.21 3.15 -2.85 -1.26 -5.02 119.74 111.93 3c1f s LYS 71 Ca -0.11 -0.55 -0.08 0.00 -1.00 0.00 0.00 55.97 54.24 3c1f s LYS 71 Cb 0.09 -1.88 -0.04 0.00 -2.06 0.00 0.00 37.83 33.94 3c1f s LYS 71 CO 0.90 -0.07 0.08 0.42 0.10 0.00 0.00 175.35 176.78 3c1f s ILE 72 N 1.02 4.78 0.00 3.79 -1.09 -1.26 -0.67 121.20 127.78 3c1f s ILE 72 Ca -0.06 -0.03 0.08 0.00 -2.23 0.00 0.00 60.65 58.42 3c1f s ILE 72 Cb -0.15 -3.19 -0.02 0.00 -1.58 0.00 0.00 42.46 37.52 3c1f s ILE 72 CO -0.02 0.40 -0.26 -1.61 -1.23 0.00 0.00 174.94 172.22 3c1f s GLU 73 N 0.84 1.96 -0.16 2.79 2.02 -0.70 -1.85 118.70 123.60 3c1f s GLU 73 Ca 0.04 -0.98 -0.08 0.00 0.02 0.00 0.00 54.97 53.97 3c1f s GLU 73 Cb -0.13 -1.98 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 3c1f s GLU 73 CO 0.02 0.53 0.13 0.08 0.02 0.00 0.00 175.26 176.04 3c1f s VAL 74 N -0.68 5.40 -0.30 2.63 1.01 0.96 -1.32 120.40 128.10 3c1f s VAL 74 Ca 0.10 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 3c1f s VAL 74 Cb -0.10 -3.40 0.10 0.00 0.00 0.00 0.00 36.38 32.98 3c1f s VAL 74 CO 0.00 0.53 0.10 -0.70 0.00 0.00 0.00 175.10 175.03 3c1f s GLU 75 N -0.36 0.66 0.54 2.72 2.12 -0.53 0.77 118.70 124.61 3c1f s GLU 75 Ca 0.11 -0.99 -0.20 0.00 0.36 0.00 0.00 54.97 54.25 3c1f s GLU 75 Cb -0.12 -1.90 -0.06 0.00 0.26 0.00 0.00 34.13 32.31 3c1f s GLU 75 CO 0.01 -0.98 1.16 -0.06 -0.54 0.00 0.00 175.26 174.86 3c1f s PHE 76 N 1.68 2.63 0.00 5.30 0.40 -1.26 -1.57 117.98 125.16 3c1f s PHE 76 Ca 0.09 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 57.95 3c1f s PHE 76 Cb -0.17 -3.38 0.00 0.00 0.51 0.00 0.00 43.02 39.98 3c1f s PHE 76 CO -0.26 -1.77 0.00 -3.47 0.70 0.00 0.00 175.22 170.43 3c1f n ASP 77 N -1.18 0.00 -0.09 1.36 -0.08 -1.26 -4.70 116.55 110.60 3c1f n ASP 77 Ca 0.11 -0.81 0.13 0.00 -1.51 0.00 0.00 54.79 52.72 3c1f n ASP 77 Cb 0.50 0.00 0.48 0.00 2.34 0.00 0.00 41.12 44.43 3c1f n ASP 77 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3c1f n LYS 78 N -0.81 0.42 0.00 -0.67 4.76 -1.20 -4.89 118.16 115.77 3c1f n LYS 78 Ca 0.00 -0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 3c1f n LYS 78 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 3c1f n LYS 78 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3c1f n GLY 79 N 1.38 1.91 3.68 0.72 0.00 0.15 -4.92 105.19 108.11 3c1f n GLY 79 Ca 0.10 -1.87 -0.44 0.00 0.00 0.00 0.00 46.02 43.81 3c1f n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3c1f n GLN 80 N 0.00 2.08 -0.00 1.61 7.27 -1.26 -4.93 117.38 122.15 3c1f n GLN 80 Ca 0.00 0.74 0.10 0.00 0.07 0.00 0.00 57.00 57.91 3c1f n GLN 80 Cb 0.00 -2.40 -0.13 0.00 2.41 0.00 0.00 30.24 30.12 3c1f n GLN 80 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3c1f n ARG 81 N 1.92 0.21 -4.21 3.69 1.74 -1.26 -4.78 116.66 113.97 3c1f n ARG 81 Ca 0.11 -0.06 -0.19 0.00 -0.77 0.00 0.00 57.85 56.93 3c1f n ARG 81 Cb 0.32 -1.51 -0.16 0.00 -1.02 0.00 0.00 32.46 30.09 3c1f n ARG 81 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3c1f s THR 82 N -3.17 0.55 0.78 0.55 2.01 -1.26 0.01 115.64 115.11 3c1f s THR 82 Ca 0.03 -0.18 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 3c1f s THR 82 Cb 0.15 -0.54 0.14 0.00 0.01 0.00 0.00 72.50 72.26 3c1f s THR 82 CO 0.88 0.21 1.07 1.51 -0.69 0.00 0.00 174.62 177.60 3c1f s ASP 83 N 0.56 4.08 0.15 3.53 1.47 0.49 -4.91 116.67 122.06 3c1f s ASP 83 Ca -0.08 -0.15 0.16 0.00 1.18 0.00 0.00 52.55 53.67 3c1f s ASP 83 Cb -0.11 -0.17 0.73 0.00 -0.34 0.00 0.00 42.92 43.03 3c1f s ASP 83 CO 0.00 -2.05 1.49 2.29 0.68 0.00 0.00 175.17 177.58 3c1f n LYS 84 N -3.06 0.09 -0.20 2.11 2.85 -1.26 -0.42 118.16 118.27 3c1f n LYS 84 Ca 0.14 0.44 0.09 0.00 -1.05 0.00 0.00 58.31 57.94 3c1f n LYS 84 Cb 0.60 -1.72 0.26 0.00 -0.65 0.00 0.00 35.03 33.52 3c1f n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3c1f n TYR 85 N -1.90 0.53 -1.10 5.58 4.02 -1.26 -4.95 117.16 118.07 3c1f n TYR 85 Ca 0.01 -0.26 -0.03 0.00 -0.01 0.00 0.00 57.90 57.61 3c1f n TYR 85 Cb 0.12 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.43 3c1f n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3c1f n GLY 86 N 1.30 0.65 3.78 2.72 0.00 0.44 -5.02 105.19 109.06 3c1f n GLY 86 Ca 0.17 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 3c1f n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3c1f s ARG 87 N -1.92 4.34 0.48 1.61 0.52 -1.25 -4.75 118.95 117.97 3c1f s ARG 87 Ca 0.00 0.84 -0.24 0.00 -0.52 0.00 0.00 55.73 55.81 3c1f s ARG 87 Cb 0.00 -3.30 -0.07 0.00 0.52 0.00 0.00 34.95 32.10 3c1f s ARG 87 CO 0.00 0.46 1.34 0.20 0.02 0.00 0.00 175.30 177.32 3c1f s GLY 88 N -0.57 2.89 -0.26 -3.53 0.00 -0.11 -0.38 107.32 105.36 3c1f s GLY 88 Ca 0.32 1.29 -0.02 0.00 0.00 0.00 0.00 44.72 46.32 3c1f s GLY 88 CO 0.20 1.84 -0.04 1.08 0.00 0.00 0.00 173.10 176.18 3c1f s LEU 89 N -3.02 3.37 0.18 0.66 1.43 0.10 -0.59 118.68 120.81 3c1f s LEU 89 Ca 0.65 -0.97 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 3c1f s LEU 89 Cb -0.39 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.18 3c1f s LEU 89 CO 0.48 -0.16 0.48 0.00 0.23 0.00 0.00 176.35 177.39 3c1f s ALA 90 N 1.31 -0.90 -0.05 4.21 0.00 -1.04 -4.46 121.76 120.83 3c1f s ALA 90 Ca -0.01 -0.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 3c1f s ALA 90 Cb -0.17 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.72 3c1f s ALA 90 CO -0.03 -0.76 0.54 0.71 0.00 0.00 0.00 175.76 176.22 3c1f s TYR 91 N -3.86 3.62 -0.10 0.00 2.02 -0.61 -1.09 117.35 117.33 3c1f s TYR 91 Ca 0.08 1.07 0.01 0.00 -0.37 0.00 0.00 57.07 57.86 3c1f s TYR 91 Cb -0.00 -2.57 -0.02 0.00 -0.40 0.00 0.00 41.96 38.96 3c1f s TYR 91 CO -0.05 0.29 -0.12 0.42 -1.57 0.00 0.00 175.55 174.52 3c1f s ILE 92 N 0.10 3.19 -0.08 2.71 -1.09 -1.26 -1.45 121.20 123.32 3c1f s ILE 92 Ca 0.29 -0.64 0.04 0.00 -2.23 0.00 0.00 60.65 58.11 3c1f s ILE 92 Cb -0.17 -2.31 -0.02 0.00 -1.58 0.00 0.00 42.46 38.39 3c1f s ILE 92 CO 0.14 0.55 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.91 3c1f s TYR 93 N -0.14 2.61 -0.30 3.97 2.02 -0.44 -0.04 117.35 125.04 3c1f s TYR 93 Ca -0.00 -0.57 0.00 0.00 -0.37 0.00 0.00 57.07 56.13 3c1f s TYR 93 Cb -0.13 -1.68 0.06 0.00 -0.40 0.00 0.00 41.96 39.81 3c1f s TYR 93 CO 0.03 -0.12 -0.01 0.00 -1.57 0.00 0.00 175.55 173.88 3c1f s ALA 94 N -0.15 2.78 -1.35 3.71 0.00 0.53 -1.73 121.76 125.55 3c1f s ALA 94 Ca -0.02 -1.92 -0.04 0.00 0.00 0.00 0.00 51.96 49.98 3c1f s ALA 94 Cb -0.14 -1.87 -0.00 0.00 0.00 0.00 0.00 23.12 21.11 3c1f s ALA 94 CO 0.04 -1.34 0.50 -0.25 0.00 0.00 0.00 175.76 174.71 3c1f n ASP 95 N 4.52 -1.22 0.00 0.00 8.00 0.15 -1.88 116.55 126.13 3c1f n ASP 95 Ca -0.11 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.40 3c1f n ASP 95 Cb 0.43 -3.17 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 3c1f n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3c1f n GLY 96 N -1.90 2.01 3.74 0.44 0.00 -1.26 -5.00 105.19 103.22 3c1f n GLY 96 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 3c1f n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3c1f s LYS 97 N -0.04 3.89 -0.29 1.61 1.02 -0.79 -5.02 119.74 120.13 3c1f s LYS 97 Ca 0.00 -0.24 -0.29 0.00 0.02 0.00 0.00 55.97 55.46 3c1f s LYS 97 Cb 0.00 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 3c1f s LYS 97 CO 0.00 0.43 1.26 1.41 -0.92 0.00 0.00 175.35 177.53 3c1f s MET 98 N -0.04 3.97 0.17 1.68 1.75 -1.26 0.20 119.30 125.77 3c1f s MET 98 Ca 0.09 1.26 -0.15 0.00 -1.25 0.00 0.00 55.69 55.64 3c1f s MET 98 Cb -0.12 -3.84 0.13 0.00 2.84 0.00 0.00 34.83 33.85 3c1f s MET 98 CO 0.00 -1.04 1.70 0.28 -0.65 0.00 0.00 175.02 175.31 3c1f h VAL 99 N 5.87 0.70 -0.68 10.11 2.07 -0.81 -2.23 116.25 131.29 3c1f h VAL 99 Ca -0.25 -0.05 0.14 0.00 0.82 0.00 0.00 66.70 67.36 3c1f h VAL 99 Cb 1.09 0.55 -0.13 0.00 -1.52 0.00 0.00 31.29 31.28 3c1f h VAL 99 CO 1.03 0.02 -0.14 0.78 0.02 0.00 0.00 177.57 179.28 3c1f h ASN 100 N 0.14 -0.58 -0.40 0.57 4.21 -1.92 -2.05 115.58 115.54 3c1f h ASN 100 Ca 0.21 0.20 -0.13 0.00 1.21 0.00 0.00 56.30 57.79 3c1f h ASN 100 Cb 0.30 0.41 -0.01 0.00 -1.12 0.00 0.00 38.32 37.89 3c1f h ASN 100 CO -0.33 -0.21 -0.27 -0.08 -1.29 0.00 0.00 177.43 175.24 3c1f h GLU 101 N 0.01 0.89 -0.28 0.81 4.81 -1.87 -3.13 114.58 115.83 3c1f h GLU 101 Ca 0.33 -0.42 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 3c1f h GLU 101 Cb 0.52 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 3c1f h GLU 101 CO -0.69 1.07 -0.15 0.00 -0.73 0.00 0.00 179.01 178.52 3c1f h ALA 102 N 0.80 1.24 -0.40 2.92 0.00 -0.78 0.98 119.26 124.02 3c1f h ALA 102 Ca 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3c1f h ALA 102 Cb 0.85 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3c1f h ALA 102 CO 0.07 0.50 0.09 -0.07 0.00 0.00 0.00 179.25 179.84 3c1f h LEU 103 N 0.44 0.61 -0.19 0.00 3.38 -1.43 0.33 115.31 118.46 3c1f h LEU 103 Ca 0.08 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3c1f h LEU 103 Cb 0.52 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3c1f h LEU 103 CO 0.03 0.69 0.11 0.11 0.09 0.00 0.00 178.44 179.47 3c1f h LYS 104 N 0.50 0.26 -0.97 1.13 6.56 -1.29 -0.34 116.57 122.42 3c1f h LYS 104 Ca 0.12 -0.03 0.04 0.00 -1.06 0.00 0.00 60.65 59.73 3c1f h LYS 104 Cb 0.32 -0.05 -0.06 0.00 -0.57 0.00 0.00 32.23 31.87 3c1f h LYS 104 CO 0.00 0.23 0.63 -0.09 -2.06 0.00 0.00 179.45 178.17 3c1f h ARG 105 N 0.21 1.18 -0.04 3.15 9.65 -0.68 -1.93 114.38 125.92 3c1f h ARG 105 Ca 0.07 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3c1f h ARG 105 Cb 0.05 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 28.36 3c1f h ARG 105 CO -0.01 0.78 0.00 1.04 2.80 0.00 0.00 179.97 184.58 3c1f n GLN 106 N -4.44 1.42 -2.09 0.20 1.13 0.09 -4.32 117.38 109.37 3c1f n GLN 106 Ca 0.13 -0.62 -0.08 0.00 -1.94 0.00 0.00 57.00 54.49 3c1f n GLN 106 Cb 0.10 -1.44 -0.01 0.00 0.11 0.00 0.00 30.24 29.00 3c1f n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3c1f n GLY 107 N 1.07 0.10 0.36 1.08 0.00 -0.72 -4.38 105.19 102.70 3c1f n GLY 107 Ca 0.19 -0.55 0.05 0.00 0.00 0.00 0.00 46.02 45.71 3c1f n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3c1f n LEU 108 N -1.16 1.69 -3.93 0.99 4.77 -0.17 -1.45 117.00 117.74 3c1f n LEU 108 Ca -0.10 -0.96 -0.09 0.00 -0.03 0.00 0.00 56.01 54.83 3c1f n LEU 108 Cb 0.55 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 3c1f n LEU 108 CO 0.11 0.33 -0.22 0.00 -1.33 0.00 0.00 177.39 176.28 3c1f s ALA 109 N -0.90 -0.05 0.13 -1.18 0.00 -1.10 -4.36 121.76 114.31 3c1f s ALA 109 Ca 0.11 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.56 3c1f s ALA 109 Cb 0.08 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 3c1f s ALA 109 CO 0.14 -0.31 0.06 0.15 0.00 0.00 0.00 175.76 175.81 3c1f s LYS 110 N -2.55 2.70 0.12 0.00 1.02 -0.94 -4.52 119.74 115.57 3c1f s LYS 110 Ca -0.05 -0.88 -0.30 0.00 0.02 0.00 0.00 55.97 54.75 3c1f s LYS 110 Cb -0.01 -2.57 -0.06 0.00 -0.52 0.00 0.00 37.83 34.66 3c1f s LYS 110 CO -0.04 0.51 1.14 0.54 -0.92 0.00 0.00 175.35 176.58 3c1f s VAL 111 N -1.57 3.98 0.27 3.17 0.11 -1.26 -1.00 120.40 124.10 3c1f s VAL 111 Ca 0.29 1.55 -0.17 0.00 -2.93 0.00 0.00 61.98 60.72 3c1f s VAL 111 Cb -0.11 -3.99 0.01 0.00 -1.53 0.00 0.00 36.38 30.76 3c1f s VAL 111 CO 0.21 0.19 0.61 0.00 -3.33 0.00 0.00 175.10 172.78 3c1f s ALA 112 N 0.43 -0.71 -1.37 1.54 0.00 -0.91 -4.86 121.76 115.88 3c1f s ALA 112 Ca 0.54 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 3c1f s ALA 112 Cb -0.29 0.94 0.00 0.00 0.00 0.00 0.00 23.12 23.77 3c1f s ALA 112 CO 0.32 -0.95 0.44 0.66 0.00 0.00 0.00 175.76 176.23 3c1f n TYR 113 N -0.43 -1.64 -2.98 0.00 4.01 -1.26 -3.85 117.16 111.00 3c1f n TYR 113 Ca -0.03 0.67 -0.43 0.00 -0.16 0.00 0.00 57.90 57.94 3c1f n TYR 113 Cb 0.60 -3.59 -0.05 0.00 -0.31 0.00 0.00 39.34 35.99 3c1f n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3c1f s VAL 114 N -3.91 4.58 -0.10 -0.72 1.01 -1.26 -4.38 120.40 115.62 3c1f s VAL 114 Ca 0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3c1f s VAL 114 Cb -0.03 -4.52 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 3c1f s VAL 114 CO 0.90 -1.15 -0.05 -0.31 0.00 0.00 0.00 175.10 174.49 3c1f s TYR 115 N 3.39 3.00 0.30 5.22 2.02 -1.26 -5.08 117.35 124.93 3c1f s TYR 115 Ca 0.20 -0.06 -0.29 0.00 -0.37 0.00 0.00 57.07 56.54 3c1f s TYR 115 Cb -0.18 -1.80 -0.10 0.00 -0.40 0.00 0.00 41.96 39.48 3c1f s TYR 115 CO 0.12 0.23 1.36 0.21 -1.57 0.00 0.00 175.55 175.90 3c1f s LYS 116 N -0.45 4.32 0.00 -0.62 2.47 -1.26 -1.83 119.74 122.37 3c1f s LYS 116 Ca 0.07 2.25 0.00 0.00 -1.56 0.00 0.00 55.97 56.73 3c1f s LYS 116 Cb -0.12 -3.09 0.00 0.00 -1.46 0.00 0.00 37.83 33.16 3c1f s LYS 116 CO 0.02 -0.28 0.00 0.41 0.16 0.00 0.00 175.35 175.66 3c1f n GLY 117 N 1.33 2.92 2.57 5.54 0.00 -1.26 -4.88 105.19 111.41 3c1f n GLY 117 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 3c1f n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3c1f n ASN 118 N 0.00 3.42 -0.43 1.61 4.13 -0.76 0.29 115.26 123.53 3c1f n ASN 118 Ca 0.00 -3.37 0.01 0.00 1.68 0.00 0.00 54.58 52.90 3c1f n ASN 118 Cb 0.00 -0.51 0.01 0.00 -1.54 0.00 0.00 39.78 37.74 3c1f n ASN 118 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3c1f n ASN 119 N -0.26 0.15 -0.32 6.41 6.94 -1.24 -4.53 115.26 122.40 3c1f n ASN 119 Ca 0.28 -1.98 0.22 0.00 -0.02 0.00 0.00 54.58 53.09 3c1f n ASN 119 Cb 0.67 -0.20 0.44 0.00 -2.36 0.00 0.00 39.78 38.33 3c1f n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3c1f h THR 120 N 6.22 0.16 -0.69 5.53 2.02 -1.93 0.00 112.91 124.21 3c1f h THR 120 Ca 0.00 -0.05 -0.17 0.00 0.77 0.00 0.00 66.41 66.97 3c1f h THR 120 Cb 1.34 0.01 -0.10 0.00 -1.74 0.00 0.00 68.15 67.65 3c1f h THR 120 CO 0.00 0.03 0.21 1.41 0.37 0.00 0.00 175.52 177.53 3c1f n HIS 121 N -5.23 2.35 0.03 3.16 8.25 -1.26 -4.59 115.22 117.92 3c1f n HIS 121 Ca 0.30 -1.10 -0.11 0.00 -0.26 0.00 0.00 57.72 56.55 3c1f n HIS 121 Cb 0.97 -0.65 -0.05 0.00 1.12 0.00 0.00 29.99 31.39 3c1f n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3c1f h GLU 122 N 2.93 -0.12 -0.00 -0.41 4.81 -1.38 -1.88 114.58 118.54 3c1f h GLU 122 Ca 0.20 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3c1f h GLU 122 Cb 2.25 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.65 3c1f h GLU 122 CO 0.68 -0.08 -0.00 1.96 -0.73 0.00 0.00 179.01 180.84 3c1f h GLN 123 N -0.12 -0.00 -0.42 1.92 4.20 -1.83 0.45 115.11 119.30 3c1f h GLN 123 Ca 0.05 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.83 3c1f h GLN 123 Cb 0.19 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.91 3c1f h GLN 123 CO -0.12 -0.00 0.06 1.25 -0.67 0.00 0.00 178.83 179.35 3c1f h LEU 124 N -0.00 -0.04 -0.52 1.46 5.85 -1.86 0.30 115.31 120.49 3c1f h LEU 124 Ca 0.00 0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 3c1f h LEU 124 Cb 0.00 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3c1f h LEU 124 CO -0.00 0.01 -0.65 -0.07 -0.34 0.00 0.00 178.44 177.39 3c1f h LEU 125 N 0.18 0.40 -1.07 2.25 3.38 -1.17 -1.61 115.31 117.67 3c1f h LEU 125 Ca 0.21 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3c1f h LEU 125 Cb 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3c1f h LEU 125 CO -0.29 0.94 -0.36 0.03 0.09 0.00 0.00 178.44 178.85 3c1f h ARG 126 N 0.25 0.18 0.31 1.13 3.08 -0.37 -0.31 114.38 118.66 3c1f h ARG 126 Ca -0.01 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3c1f h ARG 126 Cb 1.20 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 3c1f h ARG 126 CO 0.11 0.53 -0.17 -0.22 -1.07 0.00 0.00 179.97 179.15 3c1f h LYS 127 N 0.16 -0.44 -0.57 0.04 3.64 0.17 0.21 116.57 119.78 3c1f h LYS 127 Ca 0.02 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.51 3c1f h LYS 127 Cb 0.72 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.57 3c1f h LYS 127 CO 0.05 -0.29 0.20 0.00 -2.27 0.00 0.00 179.45 177.15 3c1f h ALA 128 N 0.23 0.72 -0.46 5.00 0.00 -1.17 -1.55 119.26 122.04 3c1f h ALA 128 Ca -0.04 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3c1f h ALA 128 Cb 0.36 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3c1f h ALA 128 CO 0.05 -0.21 0.30 1.49 0.00 0.00 0.00 179.25 180.88 3c1f h GLU 129 N 0.38 0.58 -0.40 0.00 4.81 -0.85 -1.13 114.58 117.97 3c1f h GLU 129 Ca 0.28 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.55 3c1f h GLU 129 Cb 0.34 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 3c1f h GLU 129 CO -0.29 0.39 0.06 0.00 -0.73 0.00 0.00 179.01 178.43 3c1f h ALA 130 N 1.18 0.42 -0.63 2.92 0.00 0.36 0.27 119.26 123.77 3c1f h ALA 130 Ca 0.17 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3c1f h ALA 130 Cb -0.05 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3c1f h ALA 130 CO -0.05 -0.34 0.03 0.37 0.00 0.00 0.00 179.25 179.26 3c1f h GLN 131 N 0.18 1.09 -0.67 0.00 5.75 -1.19 0.15 115.11 120.42 3c1f h GLN 131 Ca 0.19 -0.33 -0.02 0.00 -0.15 0.00 0.00 58.65 58.34 3c1f h GLN 131 Cb 0.25 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 3c1f h GLN 131 CO -0.27 1.04 0.34 0.00 -2.65 0.00 0.00 178.83 177.29 3c1f h ALA 132 N 1.01 0.86 0.00 3.38 0.00 -0.65 -2.13 119.26 121.73 3c1f h ALA 132 Ca 0.18 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3c1f h ALA 132 Cb 0.54 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3c1f h ALA 132 CO 0.03 0.40 -0.31 -0.22 0.00 0.00 0.00 179.25 179.15 3c1f h LYS 133 N 0.92 0.00 -0.04 0.00 3.64 -0.19 -1.85 116.57 119.05 3c1f h LYS 133 Ca 0.23 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3c1f h LYS 133 Cb 0.09 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3c1f h LYS 133 CO -0.03 0.31 0.01 0.87 -2.27 0.00 0.00 179.45 178.34 3c1f h LYS 134 N 0.00 0.07 0.00 1.90 1.57 -0.26 -3.21 116.57 116.64 3c1f h LYS 134 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3c1f h LYS 134 Cb 0.58 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3c1f h LYS 134 CO 0.04 0.31 0.00 0.39 -0.57 0.00 0.00 179.45 179.62 3c1f n GLU 135 N -4.91 0.68 -3.93 3.15 1.02 -0.84 -4.91 120.64 110.90 3c1f n GLU 135 Ca -0.07 0.01 -0.27 0.00 -0.02 0.00 0.00 57.16 56.82 3c1f n GLU 135 Cb 0.16 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.07 3c1f n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3c1f n LYS 136 N -1.10 -3.94 -2.49 3.49 4.76 -0.99 -4.95 118.16 112.94 3c1f n LYS 136 Ca 0.18 0.47 -0.41 0.00 -2.87 0.00 0.00 58.31 55.69 3c1f n LYS 136 Cb 0.14 -4.88 -0.04 0.00 -1.84 0.00 0.00 35.03 28.40 3c1f n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3c1f s LEU 137 N -6.98 4.53 0.00 -0.35 1.43 -0.73 -3.42 118.68 113.16 3c1f s LEU 137 Ca 0.19 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 3c1f s LEU 137 Cb -0.10 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.50 3c1f s LEU 137 CO 0.87 -0.17 0.00 0.59 0.23 0.00 0.00 176.35 177.87 3c1f n ASN 138 N 1.66 0.00 0.00 2.29 3.02 -1.26 -0.46 115.26 120.51 3c1f n ASN 138 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.66 3c1f n ASN 138 Cb 0.45 0.00 0.57 0.00 -0.61 0.00 0.00 39.78 40.19 3c1f n ASN 138 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3c1f n ILE 139 N 0.00 0.26 -0.15 2.41 -5.35 -0.53 -1.97 119.36 114.04 3c1f n ILE 139 Ca 0.00 0.07 0.08 0.00 -0.27 0.00 0.00 62.75 62.62 3c1f n ILE 139 Cb 0.00 -0.71 0.19 0.00 -1.74 0.00 0.00 39.64 37.38 3c1f n ILE 139 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3c1f n TRP 140 N -1.23 0.57 1.70 4.28 7.02 0.39 -5.12 117.44 125.05 3c1f n TRP 140 Ca 0.12 -0.45 0.15 0.00 -1.02 0.00 0.00 57.50 56.30 3c1f n TRP 140 Cb 0.15 -0.02 0.69 0.00 -2.42 0.00 0.00 31.31 29.72 3c1f n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54