#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3f s ASP 1 N 0.00 6.02 0.72 6.12 1.01 -1.26 -3.64 116.67 125.63 2a3f s ASP 1 Ca 0.00 1.22 -0.15 0.00 0.71 0.00 0.00 52.55 54.34 2a3f s ASP 1 Cb 0.00 -2.26 0.03 0.00 1.01 0.00 0.00 42.92 41.70 2a3f s ASP 1 CO 0.00 -0.94 1.18 0.00 0.21 0.00 0.00 175.17 175.62 2a3f s SER 3 N -2.21 6.75 0.00 0.00 0.15 -1.26 -4.94 113.70 112.19 2a3f s SER 3 Ca 0.72 2.48 0.22 0.00 0.70 0.00 0.00 55.95 60.07 2a3f s SER 3 Cb -0.27 -2.63 1.08 0.00 -1.71 0.00 0.00 66.02 62.49 2a3f s SER 3 CO 0.45 -0.53 1.72 0.35 1.20 0.00 0.00 173.24 176.44 2a3f n THR 4 N 0.57 0.08 -1.61 6.45 -2.24 -1.26 -4.29 114.28 111.98 2a3f n THR 4 Ca 0.02 -0.16 -0.01 0.00 -2.27 0.00 0.00 64.05 61.62 2a3f n THR 4 Cb 0.44 0.03 0.18 0.00 -2.10 0.00 0.00 70.33 68.88 2a3f n THR 4 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2a3f n ASN 5 N -0.29 2.39 -4.74 3.42 3.02 -1.26 -4.99 115.26 112.82 2a3f n ASN 5 Ca 0.17 -3.86 -0.36 0.00 -0.03 0.00 0.00 54.58 50.50 2a3f n ASN 5 Cb 0.20 -0.55 -0.07 0.00 -0.61 0.00 0.00 39.78 38.75 2a3f n ASN 5 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2a3f s ILE 6 N -3.43 5.36 0.02 2.41 -1.09 -1.26 -5.09 121.20 118.12 2a3f s ILE 6 Ca 0.42 0.35 -0.02 0.00 -2.23 0.00 0.00 60.65 59.17 2a3f s ILE 6 Cb 0.39 -3.54 -0.01 0.00 -1.58 0.00 0.00 42.46 37.71 2a3f s ILE 6 CO -0.04 0.43 0.02 -0.94 -1.23 0.00 0.00 174.94 173.18 2a3f s SER 7 N 0.35 0.19 0.63 3.58 1.04 -1.26 -5.12 113.70 113.10 2a3f s SER 7 Ca 0.12 -0.44 -0.14 0.00 0.48 0.00 0.00 55.95 55.98 2a3f s SER 7 Cb -0.12 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 2a3f s SER 7 CO 0.01 -0.34 1.05 -2.16 0.98 0.00 0.00 173.24 172.78 2a3f s PRO 8 N -1.57 3.26 0.20 4.02 0.04 -1.26 -4.85 135.00 134.84 2a3f s PRO 8 Ca -0.14 1.06 -0.30 0.00 0.04 0.00 0.00 61.00 61.65 2a3f s PRO 8 Cb -0.08 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 2a3f s PRO 8 CO -0.01 -0.85 1.34 0.21 0.04 0.00 0.00 177.00 177.74 2a3f s LYS 9 N -4.51 4.36 0.45 4.56 2.20 -0.81 -4.88 119.74 121.11 2a3f s LYS 9 Ca 0.60 2.10 -0.20 0.00 -0.36 0.00 0.00 55.97 58.11 2a3f s LYS 9 Cb -0.14 -3.18 -0.10 0.00 -1.51 0.00 0.00 37.83 32.89 2a3f s LYS 9 CO 0.44 -0.30 0.96 -0.65 -0.36 0.00 0.00 175.35 175.44 2a3f s GLN 10 N -0.03 4.17 0.00 4.03 -1.52 -1.26 -3.91 119.66 121.14 2a3f s GLN 10 Ca 0.58 1.11 0.00 0.00 -1.95 0.00 0.00 55.36 55.10 2a3f s GLN 10 Cb -0.38 -2.17 0.00 0.00 -0.22 0.00 0.00 33.01 30.25 2a3f s GLN 10 CO 0.38 -0.09 0.00 0.41 -0.25 0.00 0.00 175.29 175.75 2a3f n GLY 11 N -0.77 0.89 3.75 3.09 0.00 -1.26 -5.00 105.19 105.89 2a3f n GLY 11 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2a3f n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a3f s LEU 12 N 0.00 4.38 -0.27 0.99 1.43 -1.25 -4.94 118.68 119.03 2a3f s LEU 12 Ca 0.00 2.71 -0.29 0.00 -1.03 0.00 0.00 54.13 55.52 2a3f s LEU 12 Cb 0.00 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.59 2a3f s LEU 12 CO 0.00 -0.73 1.31 -0.62 0.23 0.00 0.00 176.35 176.53 2a3f s ASP 13 N 0.38 6.72 0.58 2.29 3.68 -1.26 -4.87 116.67 124.19 2a3f s ASP 13 Ca 0.60 1.34 0.37 0.00 2.13 0.00 0.00 52.55 56.98 2a3f s ASP 13 Cb -0.43 -2.54 1.68 0.00 -1.45 0.00 0.00 42.92 40.18 2a3f s ASP 13 CO 0.44 -1.02 2.10 0.07 0.13 0.00 0.00 175.17 176.89 2a3f h LYS 14 N 9.12 0.00 -0.19 4.34 2.10 -2.00 -0.54 116.57 129.41 2a3f h LYS 14 Ca -0.27 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.37 2a3f h LYS 14 Cb 1.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 2a3f h LYS 14 CO 1.02 0.00 0.05 0.00 -2.00 0.00 0.00 179.45 178.52 2a3f h ALA 15 N 2.00 1.74 0.00 0.07 0.00 -1.90 -0.27 119.26 120.90 2a3f h ALA 15 Ca -0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2a3f h ALA 15 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2a3f h ALA 15 CO 0.00 0.21 -0.25 0.87 0.00 0.00 0.00 179.25 180.08 2a3f h LYS 16 N 0.26 0.00 0.04 0.00 1.79 -1.43 -3.35 116.57 113.88 2a3f h LYS 16 Ca 0.07 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.27 2a3f h LYS 16 Cb 0.10 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 2a3f h LYS 16 CO -0.00 0.25 -1.45 -0.92 -1.08 0.00 0.00 179.45 176.24 2a3f h TYR 17 N 0.00 0.15 -1.19 -1.35 3.20 -1.39 -3.41 116.97 112.99 2a3f h TYR 17 Ca -0.00 -0.11 -0.74 0.00 3.14 0.00 0.00 58.73 61.01 2a3f h TYR 17 Cb 1.07 -0.01 -0.13 0.00 1.54 0.00 0.00 36.73 39.21 2a3f h TYR 17 CO 0.00 1.57 2.37 1.19 -1.64 0.00 0.00 178.16 181.65 2a3f n PHE 18 N -4.16 2.62 -3.86 -3.82 3.72 -0.19 -4.82 117.46 106.95 2a3f n PHE 18 Ca -0.31 -2.82 -0.15 0.00 -0.05 0.00 0.00 57.45 54.12 2a3f n PHE 18 Cb 0.79 -1.83 -0.15 0.00 -0.94 0.00 0.00 39.48 37.35 2a3f n PHE 18 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2a3f s SER 19 N 0.36 0.16 0.77 4.37 0.15 -1.26 -4.79 113.70 113.46 2a3f s SER 19 Ca 0.53 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.19 2a3f s SER 19 Cb 0.18 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2a3f s SER 19 CO -0.09 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2a3f n GLY 20 N 3.78 0.70 3.35 9.45 0.00 -1.26 -4.71 105.19 116.50 2a3f n GLY 20 Ca -0.22 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 2a3f n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a3f s LYS 21 N 0.00 1.32 -0.02 1.61 -2.85 -1.26 -4.33 119.74 114.21 2a3f s LYS 21 Ca 0.00 -1.26 0.03 0.00 -1.00 0.00 0.00 55.97 53.74 2a3f s LYS 21 Cb 0.00 -1.71 -0.03 0.00 -2.06 0.00 0.00 37.83 34.03 2a3f s LYS 21 CO 0.00 0.41 -0.10 -1.58 0.10 0.00 0.00 175.35 174.18 2a3f s TRP 22 N -1.08 2.82 -0.06 1.78 0.52 0.45 -4.32 118.94 119.06 2a3f s TRP 22 Ca 0.11 -0.08 0.04 0.00 0.02 0.00 0.00 56.10 56.19 2a3f s TRP 22 Cb -0.10 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.58 2a3f s TRP 22 CO 0.05 0.32 -0.16 0.71 0.02 0.00 0.00 176.95 177.89 2a3f s TYR 23 N -0.90 2.66 -0.34 -1.98 2.02 -0.22 -1.12 117.35 117.47 2a3f s TYR 23 Ca 0.15 -0.29 -0.29 0.00 -0.37 0.00 0.00 57.07 56.27 2a3f s TYR 23 Cb -0.11 -1.64 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 2a3f s TYR 23 CO 0.05 0.08 1.28 0.08 -1.57 0.00 0.00 175.55 175.47 2a3f s VAL 24 N -0.53 4.14 -0.14 0.71 1.01 -0.34 -1.41 120.40 123.83 2a3f s VAL 24 Ca 0.07 1.26 0.19 0.00 0.00 0.00 0.00 61.98 63.50 2a3f s VAL 24 Cb -0.11 -4.24 -0.14 0.00 0.00 0.00 0.00 36.38 31.88 2a3f s VAL 24 CO 0.01 -0.59 0.77 0.35 0.00 0.00 0.00 175.10 175.64 2a3f n THR 25 N 6.41 0.92 -3.73 3.92 -2.24 0.24 -4.66 114.28 115.14 2a3f n THR 25 Ca 0.14 -0.65 -0.12 0.00 -2.27 0.00 0.00 64.05 61.16 2a3f n THR 25 Cb 0.47 -0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 68.07 2a3f n THR 25 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2a3f s HIS 26 N -3.07 -0.45 0.04 4.78 3.76 -1.20 -1.11 115.29 118.05 2a3f s HIS 26 Ca -0.04 1.04 0.02 0.00 -0.15 0.00 0.00 55.06 55.93 2a3f s HIS 26 Cb 0.09 0.16 -0.02 0.00 1.11 0.00 0.00 32.58 33.92 2a3f s HIS 26 CO 0.82 -0.23 -0.07 -0.59 -0.85 0.00 0.00 174.74 173.81 2a3f s PHE 27 N 0.58 0.62 -0.11 1.40 -0.12 -0.46 -0.83 117.98 119.07 2a3f s PHE 27 Ca -0.03 -0.46 -0.00 0.00 -0.05 0.00 0.00 56.93 56.39 2a3f s PHE 27 Cb -0.05 -0.37 0.02 0.00 -0.63 0.00 0.00 43.02 41.99 2a3f s PHE 27 CO -0.04 -0.08 -0.07 -1.17 -0.05 0.00 0.00 175.22 173.81 2a3f s LEU 28 N -1.41 1.16 -0.23 -1.99 2.96 0.20 -0.66 118.68 118.71 2a3f s LEU 28 Ca -0.09 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 53.49 2a3f s LEU 28 Cb -0.09 -0.79 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 2a3f s LEU 28 CO 0.00 -0.12 -0.01 -0.62 -1.32 0.00 0.00 176.35 174.28 2a3f s ASP 29 N 1.66 4.53 0.24 3.68 -1.08 -1.26 -0.81 116.67 123.63 2a3f s ASP 29 Ca 0.04 -0.34 0.24 0.00 -0.52 0.00 0.00 52.55 51.97 2a3f s ASP 29 Cb -0.13 -1.79 0.94 0.00 -1.46 0.00 0.00 42.92 40.48 2a3f s ASP 29 CO -0.07 -0.02 1.73 0.29 0.52 0.00 0.00 175.17 177.62 2a3f n LYS 30 N 4.79 0.21 -3.02 4.34 4.76 -0.86 -4.69 118.16 123.69 2a3f n LYS 30 Ca -0.18 0.36 -0.43 0.00 -2.87 0.00 0.00 58.31 55.20 2a3f n LYS 30 Cb 0.51 -1.85 -0.06 0.00 -1.84 0.00 0.00 35.03 31.79 2a3f n LYS 30 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2a3f s ASP 31 N -4.31 6.39 0.00 4.39 -1.08 -1.26 -4.93 116.67 115.86 2a3f s ASP 31 Ca 0.06 -0.17 0.23 0.00 -0.52 0.00 0.00 52.55 52.15 2a3f s ASP 31 Cb 0.10 -2.36 1.17 0.00 -1.46 0.00 0.00 42.92 40.37 2a3f s ASP 31 CO 0.45 -0.85 1.75 -0.81 0.52 0.00 0.00 175.17 176.22 2a3f n PRO 32 N 6.53 0.36 0.00 4.34 -0.04 -1.26 -3.20 135.00 141.73 2a3f n PRO 32 Ca 0.01 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.67 2a3f n PRO 32 Cb 0.48 -1.50 0.66 0.00 -0.04 0.00 0.00 33.50 33.10 2a3f n PRO 32 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2a3f n GLN 33 N -1.26 0.28 -2.75 0.54 7.27 -1.26 -4.82 117.38 115.38 2a3f n GLN 33 Ca 0.11 0.03 -0.35 0.00 0.07 0.00 0.00 57.00 56.86 2a3f n GLN 33 Cb 0.17 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.26 2a3f n GLN 33 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 2a3f s VAL 34 N -2.69 4.19 -0.08 1.69 -7.23 -1.19 -4.98 120.40 110.11 2a3f s VAL 34 Ca 0.22 1.58 -0.03 0.00 -1.81 0.00 0.00 61.98 61.94 2a3f s VAL 34 Cb 0.18 -3.77 -0.04 0.00 0.56 0.00 0.00 36.38 33.31 2a3f s VAL 34 CO 0.44 -0.08 -0.10 0.35 -0.31 0.00 0.00 175.10 175.39 2a3f n THR 35 N -0.10 0.46 -2.09 5.32 -2.24 -1.26 -5.06 114.28 109.31 2a3f n THR 35 Ca 0.05 -0.13 -0.40 0.00 -2.27 0.00 0.00 64.05 61.30 2a3f n THR 35 Cb 0.52 -1.42 -0.01 0.00 -2.10 0.00 0.00 70.33 67.32 2a3f n THR 35 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2a3f s ASP 36 N -5.53 6.43 -0.01 3.42 1.01 -1.26 -5.02 116.67 115.71 2a3f s ASP 36 Ca -0.11 2.63 0.03 0.00 0.71 0.00 0.00 52.55 55.81 2a3f s ASP 36 Cb 0.04 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2a3f s ASP 36 CO 0.16 -0.77 -0.10 -1.10 0.21 0.00 0.00 175.17 173.57 2a3f s GLN 37 N -2.15 2.51 0.18 8.23 -0.21 -1.26 -5.04 119.66 121.92 2a3f s GLN 37 Ca 0.55 -0.73 0.10 0.00 0.02 0.00 0.00 55.36 55.31 2a3f s GLN 37 Cb -0.38 -2.45 -0.04 0.00 1.00 0.00 0.00 33.01 31.14 2a3f s GLN 37 CO 0.49 0.61 -0.21 0.71 -2.12 0.00 0.00 175.29 174.76 2a3f s TYR 38 N -0.91 2.06 0.10 0.91 1.51 -1.26 -0.86 117.35 118.89 2a3f s TYR 38 Ca 0.15 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.84 2a3f s TYR 38 Cb -0.11 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.69 2a3f s TYR 38 CO 0.05 0.43 0.04 0.00 -1.11 0.00 0.00 175.55 174.96 2a3f s SER 40 N -2.44 -0.09 -0.01 0.00 0.15 -1.26 -0.38 113.70 109.68 2a3f s SER 40 Ca 0.28 -0.03 -0.09 0.00 0.70 0.00 0.00 55.95 56.81 2a3f s SER 40 Cb -0.12 0.27 0.01 0.00 -1.71 0.00 0.00 66.02 64.47 2a3f s SER 40 CO 0.20 -0.39 0.18 -0.94 1.20 0.00 0.00 173.24 173.49 2a3f s SER 41 N -1.26 -0.03 0.13 5.45 1.04 -0.94 -1.20 113.70 116.89 2a3f s SER 41 Ca -0.13 -0.11 -0.20 0.00 0.48 0.00 0.00 55.95 55.99 2a3f s SER 41 Cb -0.06 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.35 2a3f s SER 41 CO 0.03 -0.36 0.52 0.72 0.98 0.00 0.00 173.24 175.12 2a3f s PHE 42 N -1.27 -0.40 -0.35 5.02 -0.71 -0.28 -0.93 117.98 119.06 2a3f s PHE 42 Ca -0.13 0.19 0.01 0.00 -1.04 0.00 0.00 56.93 55.95 2a3f s PHE 42 Cb -0.07 0.42 0.11 0.00 -1.21 0.00 0.00 43.02 42.27 2a3f s PHE 42 CO 0.02 -0.77 0.13 0.99 -1.34 0.00 0.00 175.22 174.26 2a3f s THR 43 N -3.59 1.20 0.08 -4.49 2.01 -0.25 -0.41 115.64 110.20 2a3f s THR 43 Ca 0.01 -1.86 -0.13 0.00 0.31 0.00 0.00 61.69 60.01 2a3f s THR 43 Cb 0.00 -1.89 -0.06 0.00 0.01 0.00 0.00 72.50 70.56 2a3f s THR 43 CO -0.11 -0.73 0.47 -2.16 -0.69 0.00 0.00 174.62 171.39 2a3f s PRO 44 N 1.15 3.91 0.05 4.92 0.04 -1.26 -2.14 135.00 141.67 2a3f s PRO 44 Ca 0.12 0.39 0.02 0.00 0.04 0.00 0.00 61.00 61.57 2a3f s PRO 44 Cb -0.20 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 2a3f s PRO 44 CO -0.15 0.57 -0.07 1.03 0.04 0.00 0.00 177.00 178.43 2a3f s ARG 45 N -1.64 0.56 -0.04 4.56 1.81 -0.21 -4.07 118.95 119.92 2a3f s ARG 45 Ca 0.32 -0.87 -0.03 0.00 -1.72 0.00 0.00 55.73 53.42 2a3f s ARG 45 Cb -0.15 -0.19 0.01 0.00 -0.45 0.00 0.00 34.95 34.17 2a3f s ARG 45 CO 0.17 0.01 0.09 -2.00 -0.68 0.00 0.00 175.30 172.90 2a3f s GLU 46 N -2.12 0.11 -0.12 3.54 -6.30 -1.26 -1.34 118.70 111.21 2a3f s GLU 46 Ca -0.06 0.13 -0.04 0.00 -2.50 0.00 0.00 54.97 52.51 2a3f s GLU 46 Cb -0.06 0.05 0.06 0.00 0.00 0.00 0.00 34.13 34.18 2a3f s GLU 46 CO -0.01 -0.02 0.18 0.45 0.02 0.00 0.00 175.26 175.88 2a3f s SER 47 N 0.07 0.94 -1.53 -1.70 0.15 -0.22 -4.93 113.70 106.47 2a3f s SER 47 Ca -0.00 0.19 -0.11 0.00 0.70 0.00 0.00 55.95 56.72 2a3f s SER 47 Cb -0.01 0.32 0.08 0.00 -1.71 0.00 0.00 66.02 64.71 2a3f s SER 47 CO 0.00 -0.27 0.82 -0.67 1.20 0.00 0.00 173.24 174.32 2a3f n ASP 48 N 5.32 -3.30 0.00 5.45 2.03 -1.26 -1.26 116.55 123.53 2a3f n ASP 48 Ca -0.05 -0.88 0.00 0.00 0.52 0.00 0.00 54.79 54.38 2a3f n ASP 48 Cb 0.50 -3.48 0.00 0.00 -0.72 0.00 0.00 41.12 37.42 2a3f n ASP 48 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a3f n GLY 49 N -1.64 1.19 3.69 0.27 0.00 -1.26 -5.04 105.19 102.40 2a3f n GLY 49 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2a3f n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a3f s THR 50 N -2.59 4.78 -0.11 2.61 2.01 -0.39 -0.95 115.64 121.00 2a3f s THR 50 Ca 0.00 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 2a3f s THR 50 Cb 0.00 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 2a3f s THR 50 CO 0.00 0.53 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.70 2a3f s VAL 51 N -0.19 3.65 -0.01 3.82 1.01 0.65 -1.06 120.40 128.28 2a3f s VAL 51 Ca 0.07 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2a3f s VAL 51 Cb -0.12 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.72 2a3f s VAL 51 CO 0.01 0.54 -0.01 -0.75 0.00 0.00 0.00 175.10 174.89 2a3f s LYS 52 N -0.13 0.20 -0.04 2.72 2.20 -0.45 -1.14 119.74 123.10 2a3f s LYS 52 Ca 0.01 -0.02 -0.05 0.00 -0.36 0.00 0.00 55.97 55.56 2a3f s LYS 52 Cb -0.13 -0.27 0.01 0.00 -1.51 0.00 0.00 37.83 35.93 2a3f s LYS 52 CO 0.03 -0.02 0.13 -1.83 -0.36 0.00 0.00 175.35 173.30 2a3f s GLU 53 N 0.33 0.22 -0.24 4.03 -1.05 -0.01 -1.04 118.70 120.94 2a3f s GLU 53 Ca -0.03 0.07 -0.10 0.00 -0.15 0.00 0.00 54.97 54.76 2a3f s GLU 53 Cb -0.05 0.10 -0.05 0.00 -0.44 0.00 0.00 34.13 33.69 2a3f s GLU 53 CO -0.01 -0.04 0.15 0.00 0.95 0.00 0.00 175.26 176.32 2a3f s ALA 54 N -0.22 3.59 0.02 -0.84 0.00 -0.91 -0.91 121.76 122.49 2a3f s ALA 54 Ca -0.03 -0.88 0.07 0.00 0.00 0.00 0.00 51.96 51.12 2a3f s ALA 54 Cb -0.02 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 2a3f s ALA 54 CO 0.00 -0.17 -0.22 -1.17 0.00 0.00 0.00 175.76 174.21 2a3f s LEU 55 N 1.02 2.11 -0.02 0.00 2.96 0.43 -1.09 118.68 124.09 2a3f s LEU 55 Ca 0.07 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 2a3f s LEU 55 Cb -0.13 -1.06 -0.01 0.00 0.50 0.00 0.00 46.19 45.49 2a3f s LEU 55 CO 0.04 0.21 -0.11 -0.47 -1.32 0.00 0.00 176.35 174.70 2a3f s TYR 56 N -0.67 1.06 0.01 5.38 5.04 -0.11 -1.15 117.35 126.92 2a3f s TYR 56 Ca 0.08 -0.22 0.06 0.00 -2.44 0.00 0.00 57.07 54.55 2a3f s TYR 56 Cb -0.09 -0.70 -0.02 0.00 0.35 0.00 0.00 41.96 41.50 2a3f s TYR 56 CO 0.01 -0.05 -0.19 -1.01 -1.34 0.00 0.00 175.55 172.97 2a3f s HIS 57 N -0.14 1.68 -0.16 4.97 3.76 -0.30 -2.20 115.29 122.90 2a3f s HIS 57 Ca 0.02 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 2a3f s HIS 57 Cb -0.06 -1.05 0.03 0.00 1.11 0.00 0.00 32.58 32.62 2a3f s HIS 57 CO -0.00 0.02 -0.11 -0.47 -0.85 0.00 0.00 174.74 173.33 2a3f s TYR 58 N -0.59 2.03 -0.52 1.40 5.04 0.49 -1.73 117.35 123.47 2a3f s TYR 58 Ca 0.07 -1.20 -0.29 0.00 -2.44 0.00 0.00 57.07 53.21 2a3f s TYR 58 Cb -0.08 -1.50 0.03 0.00 0.35 0.00 0.00 41.96 40.77 2a3f s TYR 58 CO 0.00 -0.65 1.16 1.21 -1.34 0.00 0.00 175.55 175.93 2a3f s ASN 59 N 1.53 6.55 0.48 4.32 3.84 0.05 -0.79 114.94 130.91 2a3f s ASN 59 Ca 0.03 0.29 0.27 0.00 0.21 0.00 0.00 52.86 53.66 2a3f s ASN 59 Cb -0.14 -2.55 1.12 0.00 -0.55 0.00 0.00 41.25 39.14 2a3f s ASN 59 CO -0.09 -1.36 1.91 0.00 -2.79 0.00 0.00 177.10 174.77 2a3f h ALA 60 N 9.37 1.06 0.19 1.71 0.00 -1.29 0.15 119.26 130.45 2a3f h ALA 60 Ca -0.24 -0.15 -0.34 0.00 0.00 0.00 0.00 54.91 54.19 2a3f h ALA 60 Cb 1.06 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.84 2a3f h ALA 60 CO 1.15 0.20 -1.65 -0.91 0.00 0.00 0.00 179.25 178.04 2a3f h ASN 61 N 0.00 0.64 0.36 0.00 4.21 -1.91 -3.35 115.58 115.54 2a3f h ASN 61 Ca -0.00 -0.93 0.00 0.00 1.21 0.00 0.00 56.30 56.58 2a3f h ASN 61 Cb 0.62 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 2a3f h ASN 61 CO 0.02 1.75 -0.65 0.29 -1.29 0.00 0.00 177.43 177.55 2a3f n LYS 62 N -3.66 0.01 -3.48 0.81 5.02 -1.20 -5.00 118.16 110.66 2a3f n LYS 62 Ca -0.23 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.86 2a3f n LYS 62 Cb 1.06 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.64 2a3f n LYS 62 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2a3f n LYS 63 N -1.52 -7.13 -4.32 1.97 5.02 0.03 -5.02 118.16 107.18 2a3f n LYS 63 Ca 0.05 0.80 -0.17 0.00 -2.02 0.00 0.00 58.31 56.97 2a3f n LYS 63 Cb 0.34 -5.72 -0.10 0.00 -0.02 0.00 0.00 35.03 29.52 2a3f n LYS 63 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2a3f s THR 64 N -3.32 0.98 0.05 -0.18 -4.23 -1.14 -4.97 115.64 102.83 2a3f s THR 64 Ca 0.35 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.82 2a3f s THR 64 Cb -0.15 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 2a3f s THR 64 CO 0.70 -0.31 -0.03 -0.94 -0.54 0.00 0.00 174.62 173.50 2a3f s SER 65 N -3.30 0.48 0.06 3.99 1.04 -1.26 -0.77 113.70 113.94 2a3f s SER 65 Ca 0.29 -1.00 -0.12 0.00 0.48 0.00 0.00 55.95 55.60 2a3f s SER 65 Cb 0.06 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.39 2a3f s SER 65 CO 0.09 -0.60 0.26 0.72 0.98 0.00 0.00 173.24 174.68 2a3f s PHE 66 N -3.92 -0.01 0.04 5.02 -0.12 -0.70 -5.01 117.98 113.27 2a3f s PHE 66 Ca 0.07 -0.24 0.06 0.00 -0.05 0.00 0.00 56.93 56.77 2a3f s PHE 66 Cb 0.08 0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.49 2a3f s PHE 66 CO -0.10 -0.51 -0.16 0.71 -0.05 0.00 0.00 175.22 175.10 2a3f s TYR 67 N -3.01 1.44 0.08 3.49 1.51 -1.26 -1.15 117.35 118.45 2a3f s TYR 67 Ca -0.02 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 55.66 2a3f s TYR 67 Cb 0.01 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 40.97 2a3f s TYR 67 CO -0.06 0.05 0.06 -0.80 -1.11 0.00 0.00 175.55 173.69 2a3f s ASN 68 N -1.10 0.34 -0.11 2.29 -0.87 -0.30 -1.74 114.94 113.46 2a3f s ASN 68 Ca 0.04 -0.93 0.01 0.00 -1.57 0.00 0.00 52.86 50.41 2a3f s ASN 68 Cb -0.08 0.26 0.02 0.00 -0.02 0.00 0.00 41.25 41.43 2a3f s ASN 68 CO 0.01 -0.67 -0.12 -0.63 -2.57 0.00 0.00 177.10 173.13 2a3f s ILE 69 N -3.92 1.27 0.09 0.60 -1.09 -0.69 -0.43 121.20 117.03 2a3f s ILE 69 Ca 0.09 -0.48 0.05 0.00 -2.23 0.00 0.00 60.65 58.08 2a3f s ILE 69 Cb 0.07 -1.21 -0.04 0.00 -1.58 0.00 0.00 42.46 39.70 2a3f s ILE 69 CO -0.08 0.40 0.00 -0.83 -1.23 0.00 0.00 174.94 173.20 2a3f s GLY 70 N 1.30 1.93 -0.10 6.18 0.00 -0.09 -0.92 107.32 115.61 2a3f s GLY 70 Ca -0.01 -1.11 -0.09 0.00 0.00 0.00 0.00 44.72 43.51 2a3f s GLY 70 CO -0.05 -1.09 0.26 1.85 0.00 0.00 0.00 173.10 174.07 2a3f s GLU 71 N -2.32 0.29 0.00 2.90 2.12 0.14 -0.83 118.70 121.00 2a3f s GLU 71 Ca 0.26 0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.99 2a3f s GLU 71 Cb -0.12 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.38 2a3f s GLU 71 CO 0.19 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 2a3f n GLY 72 N 3.17 1.30 3.43 -1.50 0.00 -0.29 -1.45 105.19 109.85 2a3f n GLY 72 Ca -0.15 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 2a3f n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3f s LYS 73 N -1.96 2.67 0.31 1.61 1.02 -1.26 -0.25 119.74 121.89 2a3f s LYS 73 Ca 0.00 -0.72 -0.29 0.00 0.02 0.00 0.00 55.97 54.98 2a3f s LYS 73 Cb 0.00 -2.40 -0.11 0.00 -0.52 0.00 0.00 37.83 34.80 2a3f s LYS 73 CO 0.00 0.52 1.55 -0.51 -0.92 0.00 0.00 175.35 175.99 2a3f s LEU 74 N -0.46 4.34 0.70 3.17 1.43 -0.13 -4.25 118.68 123.49 2a3f s LEU 74 Ca 0.06 2.95 -0.13 0.00 -1.03 0.00 0.00 54.13 55.98 2a3f s LEU 74 Cb -0.12 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.48 2a3f s LEU 74 CO 0.02 -0.88 1.10 -1.61 0.23 0.00 0.00 176.35 175.21 2a3f s GLU 75 N -0.90 2.58 0.45 1.70 0.41 -0.16 -4.91 118.70 117.87 2a3f s GLU 75 Ca 0.60 1.31 0.25 0.00 -0.41 0.00 0.00 54.97 56.72 2a3f s GLU 75 Cb -0.47 -1.93 0.61 0.00 -1.78 0.00 0.00 34.13 30.57 2a3f s GLU 75 CO 0.51 -1.41 1.70 0.66 -0.49 0.00 0.00 175.26 176.23 2a3f h SER 76 N -0.42 0.00 0.39 -0.19 4.64 -1.94 -3.34 113.55 112.69 2a3f h SER 76 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 2a3f h SER 76 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2a3f h SER 76 CO 0.53 0.09 -1.62 -1.54 -0.87 0.00 0.00 176.83 173.41 2a3f n SER 77 N -3.14 0.34 0.00 4.97 3.41 -1.26 -5.00 113.62 112.94 2a3f n SER 77 Ca 0.03 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2a3f n SER 77 Cb 0.49 1.35 0.00 0.00 -0.26 0.00 0.00 64.21 65.79 2a3f n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a3f n GLY 78 N 1.25 -1.04 3.57 5.00 0.00 -1.25 -4.98 105.19 107.72 2a3f n GLY 78 Ca -0.03 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 2a3f n GLY 78 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a3f s LEU 79 N 0.00 3.55 -0.27 0.99 2.96 -1.26 -4.16 118.68 120.49 2a3f s LEU 79 Ca 0.00 -1.67 -0.24 0.00 -0.22 0.00 0.00 54.13 51.99 2a3f s LEU 79 Cb 0.00 -2.57 0.08 0.00 0.50 0.00 0.00 46.19 44.19 2a3f s LEU 79 CO 0.00 -1.57 0.75 -1.58 -1.32 0.00 0.00 176.35 172.64 2a3f s GLN 80 N 4.98 0.79 -0.01 1.98 0.74 -1.26 -1.21 119.66 125.67 2a3f s GLN 80 Ca 0.51 0.97 -0.18 0.00 0.05 0.00 0.00 55.36 56.71 2a3f s GLN 80 Cb 0.01 0.37 0.03 0.00 1.10 0.00 0.00 33.01 34.52 2a3f s GLN 80 CO -0.03 -0.10 0.38 1.52 -0.55 0.00 0.00 175.29 176.51 2a3f s TYR 81 N 0.47 -0.27 -0.21 1.67 -0.85 -0.48 -0.98 117.35 116.71 2a3f s TYR 81 Ca -0.01 0.40 -0.05 0.00 -0.52 0.00 0.00 57.07 56.90 2a3f s TYR 81 Cb -0.05 0.16 -0.02 0.00 0.38 0.00 0.00 41.96 42.43 2a3f s TYR 81 CO -0.02 -0.45 -0.01 0.99 -1.52 0.00 0.00 175.55 174.55 2a3f s THR 82 N -1.44 3.81 0.01 -3.49 2.01 -1.26 -0.67 115.64 114.60 2a3f s THR 82 Ca -0.12 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.55 2a3f s THR 82 Cb -0.04 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 2a3f s THR 82 CO 0.04 0.42 -0.05 0.00 -0.69 0.00 0.00 174.62 174.35 2a3f s ALA 83 N 1.13 3.08 0.24 7.40 0.00 0.51 -4.10 121.76 130.01 2a3f s ALA 83 Ca 0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 2a3f s ALA 83 Cb -0.14 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 2a3f s ALA 83 CO 0.01 0.63 0.48 -1.59 0.00 0.00 0.00 175.76 175.29 2a3f s LYS 84 N -1.53 3.62 -0.00 0.00 -2.85 -0.53 -1.61 119.74 116.83 2a3f s LYS 84 Ca 0.18 -0.07 0.01 0.00 -1.00 0.00 0.00 55.97 55.09 2a3f s LYS 84 Cb -0.11 -2.73 -0.00 0.00 -2.06 0.00 0.00 37.83 32.93 2a3f s LYS 84 CO 0.09 0.32 -0.02 1.52 0.10 0.00 0.00 175.35 177.35 2a3f s TYR 85 N -1.93 0.21 0.29 1.78 1.13 -1.26 -0.69 117.35 116.88 2a3f s TYR 85 Ca 0.42 -0.04 0.06 0.00 -1.41 0.00 0.00 57.07 56.11 2a3f s TYR 85 Cb -0.11 -0.14 -0.02 0.00 -1.10 0.00 0.00 41.96 40.58 2a3f s TYR 85 CO 0.28 -0.01 0.35 -1.59 -2.51 0.00 0.00 175.55 172.07 2a3f s LYS 86 N -0.01 3.13 -0.19 -3.49 -2.85 -0.10 -3.95 119.74 112.28 2a3f s LYS 86 Ca 0.00 -0.98 -0.08 0.00 -1.00 0.00 0.00 55.97 53.92 2a3f s LYS 86 Cb -0.01 -2.74 -0.04 0.00 -2.06 0.00 0.00 37.83 32.97 2a3f s LYS 86 CO -0.00 0.26 0.07 0.99 0.10 0.00 0.00 175.35 176.77 2a3f s THR 87 N -2.12 4.85 0.24 3.79 2.01 -0.54 -1.70 115.64 122.17 2a3f s THR 87 Ca 0.38 -0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.41 2a3f s THR 87 Cb -0.08 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 2a3f s THR 87 CO 0.28 0.45 -0.01 0.68 -0.69 0.00 0.00 174.62 175.34 2a3f s VAL 88 N 0.43 1.13 0.37 3.82 -7.23 -0.71 -0.20 120.40 118.02 2a3f s VAL 88 Ca 0.04 -2.05 -0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2a3f s VAL 88 Cb -0.12 -2.37 0.07 0.00 0.56 0.00 0.00 36.38 34.52 2a3f s VAL 88 CO 0.00 -0.31 0.51 -0.90 -0.31 0.00 0.00 175.10 174.09 2a3f n ASP 89 N -0.45 0.67 0.11 4.85 5.68 -0.27 -4.04 116.55 123.09 2a3f n ASP 89 Ca -0.05 -1.57 0.11 0.00 -0.50 0.00 0.00 54.79 52.78 2a3f n ASP 89 Cb 0.64 -0.33 0.45 0.00 -1.14 0.00 0.00 41.12 40.74 2a3f n ASP 89 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2a3f n LYS 90 N -1.95 0.15 -0.39 0.11 2.85 -1.26 -0.78 118.16 116.88 2a3f n LYS 90 Ca 0.08 0.42 0.10 0.00 -1.05 0.00 0.00 58.31 57.87 2a3f n LYS 90 Cb 0.30 -1.80 0.30 0.00 -0.65 0.00 0.00 35.03 33.17 2a3f n LYS 90 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2a3f n LYS 91 N -2.09 2.97 -1.06 -1.58 4.01 -1.26 -4.75 118.16 114.40 2a3f n LYS 91 Ca 0.02 -2.61 -0.02 0.00 -0.51 0.00 0.00 58.31 55.18 2a3f n LYS 91 Cb 0.19 -1.59 -0.01 0.00 -0.51 0.00 0.00 35.03 33.11 2a3f n LYS 91 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2a3f n LYS 92 N 1.30 -0.31 -2.56 1.97 5.02 0.04 -5.01 118.16 118.61 2a3f n LYS 92 Ca 0.23 0.40 -0.39 0.00 -2.02 0.00 0.00 58.31 56.53 2a3f n LYS 92 Cb 0.65 -3.90 -0.05 0.00 -0.02 0.00 0.00 35.03 31.71 2a3f n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a3f s ALA 93 N -2.00 3.33 -0.00 7.82 0.00 -1.26 -4.79 121.76 124.85 2a3f s ALA 93 Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 2a3f s ALA 93 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2a3f s ALA 93 CO 0.00 -0.07 1.20 0.08 0.00 0.00 0.00 175.76 176.97 2a3f s VAL 94 N -1.28 4.16 -0.22 0.00 1.01 -1.26 -1.11 120.40 121.70 2a3f s VAL 94 Ca 0.46 1.52 -0.12 0.00 0.00 0.00 0.00 61.98 63.84 2a3f s VAL 94 Cb -0.28 -3.98 -0.18 0.00 0.00 0.00 0.00 36.38 31.94 2a3f s VAL 94 CO 0.36 0.05 0.01 0.18 0.00 0.00 0.00 175.10 175.70 2a3f n LEU 95 N 4.63 2.25 -3.81 3.92 4.77 0.72 -4.92 117.00 124.56 2a3f n LEU 95 Ca 0.10 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 56.20 2a3f n LEU 95 Cb 0.46 -0.95 -0.15 0.00 -2.33 0.00 0.00 43.42 40.45 2a3f n LEU 95 CO 0.55 0.60 -0.35 -0.54 -1.33 0.00 0.00 177.39 176.32 2a3f s LYS 96 N -2.47 -0.02 0.98 3.23 1.02 -0.92 -5.01 119.74 116.55 2a3f s LYS 96 Ca -0.31 0.12 -0.12 0.00 0.02 0.00 0.00 55.97 55.68 2a3f s LYS 96 Cb 0.09 -0.17 0.18 0.00 -0.52 0.00 0.00 37.83 37.41 2a3f s LYS 96 CO 0.60 -0.11 1.09 -1.21 -0.92 0.00 0.00 175.35 174.80 2a3f s GLU 97 N 0.70 0.57 0.31 1.68 0.41 -1.26 -1.46 118.70 119.64 2a3f s GLU 97 Ca -0.06 0.60 -0.29 0.00 -0.41 0.00 0.00 54.97 54.81 2a3f s GLU 97 Cb -0.09 -1.75 -0.11 0.00 -1.78 0.00 0.00 34.13 30.41 2a3f s GLU 97 CO -0.02 -2.66 1.46 0.00 -0.49 0.00 0.00 175.26 173.56 2a3f s ALA 98 N -2.94 3.62 -0.37 5.21 0.00 -1.25 -4.66 121.76 121.37 2a3f s ALA 98 Ca 0.65 1.43 -0.22 0.00 0.00 0.00 0.00 51.96 53.82 2a3f s ALA 98 Cb -0.19 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.36 2a3f s ALA 98 CO 0.58 -0.86 0.73 0.34 0.00 0.00 0.00 175.76 176.55 2a3f s ASP 99 N 0.11 6.49 0.00 0.00 -1.08 -1.26 -4.94 116.67 116.00 2a3f s ASP 99 Ca 0.57 0.24 0.11 0.00 -0.52 0.00 0.00 52.55 52.95 2a3f s ASP 99 Cb -0.44 -2.37 0.50 0.00 -1.46 0.00 0.00 42.92 39.15 2a3f s ASP 99 CO 0.51 -0.69 1.32 -0.62 0.52 0.00 0.00 175.17 176.21 2a3f n GLU 100 N 6.30 0.05 0.00 4.34 -0.58 -1.26 -1.20 120.64 128.28 2a3f n GLU 100 Ca 0.01 0.27 0.15 0.00 -0.42 0.00 0.00 57.16 57.17 2a3f n GLU 100 Cb 0.48 -1.50 0.69 0.00 -0.57 0.00 0.00 31.44 30.54 2a3f n GLU 100 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2a3f n LYS 101 N -1.44 1.26 -4.20 3.49 2.85 -1.26 -4.85 118.16 114.02 2a3f n LYS 101 Ca 0.03 -0.50 -0.30 0.00 -1.05 0.00 0.00 58.31 56.50 2a3f n LYS 101 Cb 0.12 -1.49 -0.09 0.00 -0.65 0.00 0.00 35.03 32.91 2a3f n LYS 101 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2a3f s ASN 102 N -2.08 4.55 0.14 -5.58 0.02 -0.34 -1.35 114.94 110.30 2a3f s ASN 102 Ca 0.40 -0.34 -0.24 0.00 -1.02 0.00 0.00 52.86 51.66 2a3f s ASN 102 Cb 0.21 -0.93 0.07 0.00 0.02 0.00 0.00 41.25 40.62 2a3f s ASN 102 CO 0.37 0.18 0.79 -0.94 0.02 0.00 0.00 177.10 177.52 2a3f s SER 103 N -2.25 -0.35 0.03 -1.22 1.04 -0.64 -4.67 113.70 105.64 2a3f s SER 103 Ca 0.23 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.45 2a3f s SER 103 Cb -0.11 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 2a3f s SER 103 CO 0.15 -0.95 -0.11 -0.72 0.98 0.00 0.00 173.24 172.59 2a3f s TYR 104 N -3.51 0.94 -0.22 5.02 1.13 -0.63 -0.67 117.35 119.39 2a3f s TYR 104 Ca 0.07 -0.33 -0.03 0.00 -1.41 0.00 0.00 57.07 55.37 2a3f s TYR 104 Cb -0.02 -0.57 0.00 0.00 -1.10 0.00 0.00 41.96 40.28 2a3f s TYR 104 CO -0.04 -0.00 -0.06 0.99 -2.51 0.00 0.00 175.55 173.93 2a3f s THR 105 N -0.81 3.11 -0.20 -3.49 2.01 -0.22 -0.37 115.64 115.68 2a3f s THR 105 Ca -0.01 -0.68 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 2a3f s THR 105 Cb -0.07 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 2a3f s THR 105 CO 0.01 0.37 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.08 2a3f s LEU 106 N 1.42 3.21 -0.18 4.42 0.20 0.15 -1.08 118.68 126.82 2a3f s LEU 106 Ca 0.04 -0.22 0.00 0.00 0.69 0.00 0.00 54.13 54.65 2a3f s LEU 106 Cb -0.15 -1.81 0.01 0.00 -0.43 0.00 0.00 46.19 43.82 2a3f s LEU 106 CO -0.05 0.07 -0.17 -0.89 -0.29 0.00 0.00 176.35 175.02 2a3f s THR 107 N 0.98 2.36 -0.23 3.68 2.01 0.16 -1.38 115.64 123.21 2a3f s THR 107 Ca 0.01 -0.84 -0.22 0.00 0.31 0.00 0.00 61.69 60.95 2a3f s THR 107 Cb -0.14 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 2a3f s THR 107 CO 0.02 0.52 0.72 -0.69 -0.69 0.00 0.00 174.62 174.49 2a3f s VAL 108 N 1.27 4.93 -0.12 3.82 1.01 -0.35 -1.09 120.40 129.86 2a3f s VAL 108 Ca 0.04 1.35 0.20 0.00 0.00 0.00 0.00 61.98 63.57 2a3f s VAL 108 Cb -0.14 -4.02 -0.22 0.00 0.00 0.00 0.00 36.38 32.00 2a3f s VAL 108 CO -0.10 0.01 0.55 0.18 0.00 0.00 0.00 175.10 175.74 2a3f n LEU 109 N 5.65 0.33 -3.55 3.92 4.77 0.44 -1.92 117.00 126.64 2a3f n LEU 109 Ca 0.02 0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 56.00 2a3f n LEU 109 Cb 0.49 0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 2a3f n LEU 109 CO 0.45 0.12 0.62 -0.70 -1.33 0.00 0.00 177.39 176.56 2a3f s GLU 110 N -3.12 0.81 -0.26 3.23 2.56 -1.02 -4.39 118.70 116.51 2a3f s GLU 110 Ca -0.06 0.16 -0.20 0.00 0.00 0.00 0.00 54.97 54.87 2a3f s GLU 110 Cb 0.10 0.38 0.07 0.00 2.00 0.00 0.00 34.13 36.69 2a3f s GLU 110 CO 0.85 -0.26 0.67 0.00 -0.56 0.00 0.00 175.26 175.97 2a3f s ALA 111 N -1.28 -1.74 0.00 6.30 0.00 -1.26 -1.00 121.76 122.78 2a3f s ALA 111 Ca -0.05 2.12 0.00 0.00 0.00 0.00 0.00 51.96 54.03 2a3f s ALA 111 Cb -0.00 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.87 2a3f s ALA 111 CO 0.04 -0.34 0.00 -0.40 0.00 0.00 0.00 175.76 175.06 2a3f n ASP 112 N 3.46 0.30 0.25 0.00 5.68 0.09 -4.87 116.55 121.47 2a3f n ASP 112 Ca -0.17 -0.89 0.17 0.00 -0.50 0.00 0.00 54.79 53.40 2a3f n ASP 112 Cb 0.57 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.29 2a3f n ASP 112 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2a3f h ASP 113 N 0.00 0.00 0.00 -1.12 3.32 -2.00 -3.26 116.42 113.36 2a3f h ASP 113 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2a3f h ASP 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2a3f h ASP 113 CO 0.00 0.00 -1.20 -1.54 -1.72 0.00 0.00 179.24 174.78 2a3f n SER 114 N -2.88 3.72 -3.65 6.45 3.41 -1.26 -4.93 113.62 114.49 2a3f n SER 114 Ca 0.00 -0.02 -0.10 0.00 -0.26 0.00 0.00 58.87 58.49 2a3f n SER 114 Cb 0.23 1.23 -0.04 0.00 -0.26 0.00 0.00 64.21 65.37 2a3f n SER 114 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2a3f s SER 115 N -2.56 -0.24 0.18 4.04 0.01 -1.23 -2.43 113.70 111.46 2a3f s SER 115 Ca -0.02 -0.34 -0.16 0.00 1.31 0.00 0.00 55.95 56.74 2a3f s SER 115 Cb 0.03 0.49 0.02 0.00 0.21 0.00 0.00 66.02 66.78 2a3f s SER 115 CO 0.21 -0.89 0.47 0.00 0.41 0.00 0.00 173.24 173.44 2a3f s ALA 116 N -3.82 -0.79 -0.07 1.44 0.00 -0.37 -0.73 121.76 117.43 2a3f s ALA 116 Ca 0.04 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.72 2a3f s ALA 116 Cb 0.01 0.83 0.02 0.00 0.00 0.00 0.00 23.12 23.98 2a3f s ALA 116 CO -0.10 -0.75 -0.11 -1.17 0.00 0.00 0.00 175.76 173.63 2a3f s LEU 117 N -2.88 1.55 0.13 0.00 2.96 -0.17 -0.43 118.68 119.84 2a3f s LEU 117 Ca 0.09 -0.27 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 2a3f s LEU 117 Cb 0.00 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 2a3f s LEU 117 CO -0.04 0.00 -0.12 0.68 -1.32 0.00 0.00 176.35 175.55 2a3f s VAL 118 N 0.81 1.21 -0.08 1.68 -7.23 -0.71 -0.42 120.40 115.67 2a3f s VAL 118 Ca -0.12 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 2a3f s VAL 118 Cb -0.15 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 2a3f s VAL 118 CO 0.02 -0.54 -0.09 -2.28 -0.31 0.00 0.00 175.10 171.89 2a3f s HIS 119 N -2.55 2.87 -0.09 2.82 2.46 -0.25 -1.09 115.29 119.46 2a3f s HIS 119 Ca 0.11 -0.12 0.02 0.00 0.47 0.00 0.00 55.06 55.53 2a3f s HIS 119 Cb -0.02 -1.72 0.01 0.00 -0.13 0.00 0.00 32.58 30.72 2a3f s HIS 119 CO 0.02 0.21 -0.13 0.42 -2.47 0.00 0.00 174.74 172.79 2a3f s ILE 120 N -0.57 1.27 -0.34 0.89 1.01 0.17 -0.67 121.20 122.96 2a3f s ILE 120 Ca 0.08 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 2a3f s ILE 120 Cb -0.12 -1.17 0.06 0.00 0.01 0.00 0.00 42.46 41.24 2a3f s ILE 120 CO 0.02 0.39 0.08 0.00 0.00 0.00 0.00 174.94 175.43 2a3f s LEU 122 N 1.27 4.23 -0.07 0.00 2.96 -1.26 -1.05 118.68 124.76 2a3f s LEU 122 Ca -0.01 0.56 0.05 0.00 -0.22 0.00 0.00 54.13 54.51 2a3f s LEU 122 Cb -0.20 -2.45 -0.00 0.00 0.50 0.00 0.00 46.19 44.03 2a3f s LEU 122 CO -0.01 0.05 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.73 2a3f s ARG 123 N 0.64 2.41 -0.33 1.98 0.52 0.15 -0.37 118.95 123.95 2a3f s ARG 123 Ca 0.19 -0.78 0.03 0.00 -0.52 0.00 0.00 55.73 54.64 2a3f s ARG 123 Cb -0.14 -1.97 0.10 0.00 0.52 0.00 0.00 34.95 33.46 2a3f s ARG 123 CO 0.06 0.26 0.05 -1.21 0.02 0.00 0.00 175.30 174.49 2a3f s GLU 124 N 0.09 1.33 7.85 3.54 2.02 0.39 -1.63 118.70 132.29 2a3f s GLU 124 Ca -0.09 -1.67 0.00 0.00 0.02 0.00 0.00 54.97 53.24 2a3f s GLU 124 Cb -0.14 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.17 2a3f s GLU 124 CO 0.05 -0.93 0.00 0.41 0.02 0.00 0.00 175.26 174.80 2a3f n GLY 125 N 4.40 3.60 0.22 -1.39 0.00 -0.46 -1.76 105.19 109.79 2a3f n GLY 125 Ca 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 2a3f n GLY 125 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2a3f h SER 126 N 0.00 0.44 -3.27 1.61 4.64 -1.96 -3.46 113.55 111.55 2a3f h SER 126 Ca 0.00 -0.17 -0.57 0.00 -0.47 0.00 0.00 61.79 60.58 2a3f h SER 126 Cb 0.00 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 61.92 2a3f h SER 126 CO 0.00 0.75 -0.04 -0.54 -0.87 0.00 0.00 176.83 176.13 2a3f s LYS 127 N -4.33 4.26 0.20 4.77 1.02 -0.72 -5.06 119.74 119.87 2a3f s LYS 127 Ca -0.06 0.71 -0.07 0.00 0.02 0.00 0.00 55.97 56.57 2a3f s LYS 127 Cb 0.13 -3.30 -0.06 0.00 -0.52 0.00 0.00 37.83 34.08 2a3f s LYS 127 CO 0.79 0.47 0.47 -0.51 -0.92 0.00 0.00 175.35 175.65 2a3f s ASP 128 N -0.52 6.54 0.00 2.83 1.11 -1.26 -0.46 116.67 124.91 2a3f s ASP 128 Ca 0.30 0.74 0.17 0.00 0.18 0.00 0.00 52.55 53.94 2a3f s ASP 128 Cb -0.18 -2.15 0.60 0.00 1.07 0.00 0.00 42.92 42.25 2a3f s ASP 128 CO 0.17 -0.03 1.45 0.18 1.18 0.00 0.00 175.17 178.12 2a3f n LEU 129 N -0.13 1.71 -0.19 1.23 7.99 0.50 -4.91 117.00 123.20 2a3f n LEU 129 Ca -0.01 -0.77 0.02 0.00 -0.01 0.00 0.00 56.01 55.24 2a3f n LEU 129 Cb 0.52 -0.15 -0.01 0.00 -0.11 0.00 0.00 43.42 43.67 2a3f n LEU 129 CO 0.47 0.38 -0.06 0.61 -1.51 0.00 0.00 177.39 177.28 2a3f n GLY 130 N 1.10 -2.15 3.76 -0.72 0.00 -1.24 -4.79 105.19 101.15 2a3f n GLY 130 Ca 0.14 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 2a3f n GLY 130 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a3f n ASP 131 N -2.67 3.82 -3.91 1.61 8.00 -1.26 -4.60 116.55 117.54 2a3f n ASP 131 Ca -0.01 1.18 -0.26 0.00 0.71 0.00 0.00 54.79 56.41 2a3f n ASP 131 Cb 0.09 -1.60 -0.17 0.00 -0.02 0.00 0.00 41.12 39.42 2a3f n ASP 131 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2a3f s LEU 132 N -1.10 1.19 -0.12 0.64 2.96 -1.00 -2.03 118.68 119.21 2a3f s LEU 132 Ca 0.60 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 2a3f s LEU 132 Cb -0.49 -0.79 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 2a3f s LEU 132 CO 0.55 -0.11 -0.00 -0.31 -1.32 0.00 0.00 176.35 175.16 2a3f s TYR 133 N 1.59 3.13 -0.08 5.38 2.02 0.01 -0.66 117.35 128.74 2a3f s TYR 133 Ca 0.02 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.76 2a3f s TYR 133 Cb -0.13 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.57 2a3f s TYR 133 CO -0.06 0.27 -0.08 0.95 -1.57 0.00 0.00 175.55 175.06 2a3f s THR 134 N -0.33 0.89 -0.04 -0.71 -4.23 -0.25 -0.63 115.64 110.34 2a3f s THR 134 Ca 0.07 -0.27 -0.28 0.00 -1.18 0.00 0.00 61.69 60.03 2a3f s THR 134 Cb -0.12 -0.89 -0.03 0.00 1.34 0.00 0.00 72.50 72.80 2a3f s THR 134 CO 0.02 0.32 0.88 -0.69 -0.54 0.00 0.00 174.62 174.62 2a3f s VAL 135 N 1.24 4.92 0.01 2.29 1.01 -0.01 -1.74 120.40 128.12 2a3f s VAL 135 Ca -0.05 1.84 0.06 0.00 0.00 0.00 0.00 61.98 63.83 2a3f s VAL 135 Cb -0.14 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 2a3f s VAL 135 CO -0.02 0.16 -0.18 -0.76 0.00 0.00 0.00 175.10 174.30 2a3f s LEU 136 N 1.12 2.57 0.12 3.92 1.43 0.42 -0.59 118.68 127.67 2a3f s LEU 136 Ca 0.46 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2a3f s LEU 136 Cb -0.19 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 2a3f s LEU 136 CO 0.23 0.28 -0.06 0.42 0.23 0.00 0.00 176.35 177.45 2a3f s THR 137 N -0.84 0.77 -0.54 5.49 -4.23 -0.50 -1.24 115.64 114.55 2a3f s THR 137 Ca 0.13 -1.96 0.24 0.00 -1.18 0.00 0.00 61.69 58.92 2a3f s THR 137 Cb -0.10 -1.79 0.26 0.00 1.34 0.00 0.00 72.50 72.21 2a3f s THR 137 CO 0.03 -0.78 1.59 0.45 -0.54 0.00 0.00 174.62 175.37 2a3f h HIS 138 N 2.89 0.00 -3.23 3.99 3.86 -1.67 -0.56 115.15 120.43 2a3f h HIS 138 Ca -0.36 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.19 2a3f h HIS 138 Cb 1.18 0.00 -0.32 0.00 1.06 0.00 0.00 27.41 29.33 2a3f h HIS 138 CO 0.59 0.00 -0.82 -0.65 0.86 0.00 0.00 177.93 177.91 2a3f s GLN 139 N -3.18 3.15 0.11 2.45 -0.21 -1.26 -4.79 119.66 115.93 2a3f s GLN 139 Ca 0.08 -0.77 -0.35 0.00 0.02 0.00 0.00 55.36 54.34 2a3f s GLN 139 Cb 0.09 -2.65 -0.17 0.00 1.00 0.00 0.00 33.01 31.28 2a3f s GLN 139 CO 0.66 -0.08 1.06 1.17 -2.12 0.00 0.00 175.29 175.98 2a3f n LYS 140 N 4.33 0.62 -1.60 2.91 4.81 -1.26 -2.02 118.16 125.94 2a3f n LYS 140 Ca -0.20 0.22 -0.20 0.00 -0.87 0.00 0.00 58.31 57.26 2a3f n LYS 140 Cb 0.51 -1.66 -0.09 0.00 0.02 0.00 0.00 35.03 33.81 2a3f n LYS 140 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2a3f n ASP 141 N 1.92 -5.35 -4.91 3.14 8.00 -1.26 -4.98 116.55 113.12 2a3f n ASP 141 Ca 0.17 0.50 -0.28 0.00 0.71 0.00 0.00 54.79 55.89 2a3f n ASP 141 Cb 0.19 -4.73 0.04 0.00 -0.02 0.00 0.00 41.12 36.60 2a3f n ASP 141 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a3f s ALA 142 N -2.72 3.12 0.07 2.24 0.00 -0.86 -5.06 121.76 118.54 2a3f s ALA 142 Ca 0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 51.96 51.20 2a3f s ALA 142 Cb 0.00 -2.77 -0.06 0.00 0.00 0.00 0.00 23.12 20.29 2a3f s ALA 142 CO 0.00 -0.99 0.53 -1.21 0.00 0.00 0.00 175.76 174.09 2a3f s GLU 143 N -5.16 4.11 0.74 0.00 0.41 -1.26 -4.97 118.70 112.56 2a3f s GLU 143 Ca 0.56 0.63 -0.14 0.00 -0.41 0.00 0.00 54.97 55.62 2a3f s GLU 143 Cb -0.11 -3.20 0.04 0.00 -1.78 0.00 0.00 34.13 29.09 2a3f s GLU 143 CO 0.48 0.63 1.15 -1.25 -0.49 0.00 0.00 175.26 175.78 2a3f s PRO 144 N -1.21 2.23 0.82 0.39 0.04 -1.26 -5.00 135.00 131.01 2a3f s PRO 144 Ca 0.29 1.52 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 2a3f s PRO 144 Cb -0.18 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.57 2a3f s PRO 144 CO 0.18 -1.71 1.12 -1.54 0.04 0.00 0.00 177.00 175.09 2a3f s SER 145 N -2.51 3.91 0.33 6.66 1.04 -1.26 -4.78 113.70 117.09 2a3f s SER 145 Ca 0.69 2.02 0.04 0.00 0.48 0.00 0.00 55.95 59.18 2a3f s SER 145 Cb -0.23 -2.55 0.66 0.00 0.10 0.00 0.00 66.02 63.99 2a3f s SER 145 CO 0.47 -2.44 1.92 0.00 0.98 0.00 0.00 173.24 174.17 2a3f h ALA 146 N -1.26 1.64 -0.73 5.32 0.00 -1.99 0.20 119.26 122.44 2a3f h ALA 146 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2a3f h ALA 146 Cb 1.25 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2a3f h ALA 146 CO 0.48 0.21 0.46 -0.22 0.00 0.00 0.00 179.25 180.18 2a3f h LYS 147 N 0.87 0.98 -0.14 0.00 3.64 -1.99 -0.13 116.57 119.79 2a3f h LYS 147 Ca 0.38 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.48 2a3f h LYS 147 Cb 0.33 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2a3f h LYS 147 CO -0.15 0.67 -0.75 0.28 -2.27 0.00 0.00 179.45 177.23 2a3f h VAL 148 N 0.99 1.30 -0.81 2.00 2.07 -1.75 -1.92 116.25 118.14 2a3f h VAL 148 Ca 0.26 -2.00 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 2a3f h VAL 148 Cb -0.07 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 2a3f h VAL 148 CO -0.05 0.63 0.47 0.11 0.02 0.00 0.00 177.57 178.74 2a3f h LYS 149 N 0.48 1.10 -0.89 1.57 1.57 -0.70 -1.77 116.57 117.92 2a3f h LYS 149 Ca -0.04 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2a3f h LYS 149 Cb 1.36 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 2a3f h LYS 149 CO 0.15 0.78 0.47 1.03 -0.57 0.00 0.00 179.45 181.31 2a3f h SER 150 N 1.11 1.12 -0.63 0.86 0.87 -0.71 -2.63 113.55 113.55 2a3f h SER 150 Ca 0.29 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2a3f h SER 150 Cb -0.02 -0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 61.62 2a3f h SER 150 CO -0.05 0.91 0.37 0.00 -0.53 0.00 0.00 176.83 177.53 2a3f h ALA 151 N 1.26 1.44 -0.05 6.23 0.00 -0.55 0.29 119.26 127.87 2a3f h ALA 151 Ca 0.31 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2a3f h ALA 151 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2a3f h ALA 151 CO -0.05 0.47 -0.05 0.28 0.00 0.00 0.00 179.25 179.90 2a3f h VAL 152 N 0.89 0.85 -0.60 0.00 2.07 -1.00 -0.31 116.25 118.15 2a3f h VAL 152 Ca 0.23 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 2a3f h VAL 152 Cb -0.01 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2a3f h VAL 152 CO -0.04 0.00 0.35 0.74 0.02 0.00 0.00 177.57 178.64 2a3f h THR 153 N -0.07 1.19 0.00 2.57 2.02 -1.24 -2.24 112.91 115.13 2a3f h THR 153 Ca 0.04 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2a3f h THR 153 Cb 0.13 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2a3f h THR 153 CO -0.09 0.20 0.00 1.56 0.37 0.00 0.00 175.52 177.55 2a3f h GLN 154 N 0.82 0.00 -0.00 6.66 1.08 -0.72 -0.47 115.11 122.47 2a3f h GLN 154 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2a3f h GLN 154 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2a3f h GLN 154 CO -0.04 0.00 -0.00 0.00 -0.95 0.00 0.00 178.83 177.84 2a3f n ALA 155 N -1.95 2.67 -0.66 3.87 0.00 -0.15 -4.89 120.51 119.40 2a3f n ALA 155 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2a3f n ALA 155 Cb 0.24 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2a3f n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a3f n GLY 156 N 1.03 0.59 3.70 0.00 0.00 -0.19 -5.05 105.19 105.27 2a3f n GLY 156 Ca 0.23 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 2a3f n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a3f s LEU 157 N 0.00 3.05 -0.10 0.99 1.43 -0.98 -5.04 118.68 118.03 2a3f s LEU 157 Ca 0.00 -1.12 0.02 0.00 -1.03 0.00 0.00 54.13 52.00 2a3f s LEU 157 Cb 0.00 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.91 2a3f s LEU 157 CO 0.00 -0.47 -0.16 -1.10 0.23 0.00 0.00 176.35 174.85 2a3f s GLN 158 N -3.84 2.25 0.47 1.70 -1.52 -1.26 -3.99 119.66 113.47 2a3f s GLN 158 Ca 0.39 -0.58 0.18 0.00 -1.95 0.00 0.00 55.36 53.39 2a3f s GLN 158 Cb 0.04 -1.87 1.16 0.00 -0.22 0.00 0.00 33.01 32.12 2a3f s GLN 158 CO 0.21 -0.02 1.99 1.25 -0.25 0.00 0.00 175.29 178.47 2a3f h LEU 159 N 7.25 0.24 -2.84 2.90 5.85 -1.94 -0.55 115.31 126.22 2a3f h LEU 159 Ca -0.30 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2a3f h LEU 159 Cb 1.19 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 2a3f h LEU 159 CO 0.49 0.14 0.02 0.77 -0.34 0.00 0.00 178.44 179.52 2a3f h SER 160 N 0.26 0.00 0.76 1.25 4.64 -2.04 -1.79 113.55 116.64 2a3f h SER 160 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2a3f h SER 160 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2a3f h SER 160 CO -0.06 0.00 -0.32 0.00 -0.87 0.00 0.00 176.83 175.58 2a3f n GLN 161 N -3.23 0.05 -2.87 4.77 1.13 -0.21 -4.90 117.38 112.12 2a3f n GLN 161 Ca -0.03 0.02 -0.33 0.00 -1.94 0.00 0.00 57.00 54.73 2a3f n GLN 161 Cb 0.09 -1.54 -0.06 0.00 0.11 0.00 0.00 30.24 28.84 2a3f n GLN 161 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2a3f s PHE 162 N -3.03 3.34 -0.09 1.08 0.40 -0.68 -4.88 117.98 114.13 2a3f s PHE 162 Ca 0.11 1.50 -0.28 0.00 -0.60 0.00 0.00 56.93 57.66 2a3f s PHE 162 Cb 0.17 -2.77 -0.02 0.00 0.51 0.00 0.00 43.02 40.92 2a3f s PHE 162 CO 0.64 -0.08 0.94 0.08 0.70 0.00 0.00 175.22 177.50 2a3f s VAL 163 N -2.17 4.85 -0.17 -0.44 1.01 0.17 -4.85 120.40 118.80 2a3f s VAL 163 Ca 0.60 1.92 -0.21 0.00 0.00 0.00 0.00 61.98 64.28 2a3f s VAL 163 Cb -0.09 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 2a3f s VAL 163 CO 0.16 0.07 0.65 -0.83 0.00 0.00 0.00 175.10 175.14 2a3f s GLY 164 N 1.05 2.18 0.26 4.51 0.00 -1.26 -1.35 107.32 112.71 2a3f s GLY 164 Ca 0.46 -0.17 0.25 0.00 0.00 0.00 0.00 44.72 45.26 2a3f s GLY 164 CO 0.20 1.27 1.61 -0.91 0.00 0.00 0.00 173.10 175.27 2a3f h THR 165 N 5.07 0.00 0.00 0.90 1.35 -1.38 -3.30 112.91 115.54 2a3f h THR 165 Ca -0.34 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 2a3f h THR 165 Cb 1.15 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 2a3f h THR 165 CO 0.77 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.11 2a3f h LYS 166 N 0.00 0.00 -0.32 4.72 2.10 -1.90 -2.28 116.57 118.89 2a3f h LYS 166 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2a3f h LYS 166 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 2a3f h LYS 166 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 2a3f n ASP 167 N -2.37 3.07 -0.18 7.07 8.00 -1.24 -4.59 116.55 126.30 2a3f n ASP 167 Ca -0.00 -1.89 0.13 0.00 0.71 0.00 0.00 54.79 53.73 2a3f n ASP 167 Cb 0.12 -0.21 0.31 0.00 -0.02 0.00 0.00 41.12 41.32 2a3f n ASP 167 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2a3f n LEU 168 N 1.10 0.91 -0.81 0.64 4.77 -0.86 -4.91 117.00 117.84 2a3f n LEU 168 Ca 0.15 -0.21 -0.04 0.00 -0.03 0.00 0.00 56.01 55.88 2a3f n LEU 168 Cb 0.50 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 2a3f n LEU 168 CO 0.12 0.18 0.01 0.61 -1.33 0.00 0.00 177.39 176.98 2a3f n GLY 169 N 1.39 0.53 3.75 -0.72 0.00 -1.26 -4.94 105.19 103.95 2a3f n GLY 169 Ca 0.10 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 2a3f n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a3f s GLN 171 N -2.65 3.36 0.30 0.00 -1.52 -1.26 -5.13 119.66 112.75 2a3f s GLN 171 Ca 0.66 -0.66 0.08 0.00 -1.95 0.00 0.00 55.36 53.49 2a3f s GLN 171 Cb -0.43 -2.79 -0.04 0.00 -0.22 0.00 0.00 33.01 29.53 2a3f s GLN 171 CO 0.54 0.02 0.16 0.71 -0.25 0.00 0.00 175.29 176.46 2a3f s TYR 172 N 0.88 2.86 -0.64 0.91 2.02 -1.26 -4.75 117.35 117.36 2a3f s TYR 172 Ca -0.03 -0.25 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 2a3f s TYR 172 Cb -0.15 -1.50 0.16 0.00 -0.40 0.00 0.00 41.96 40.07 2a3f s TYR 172 CO 0.00 0.43 0.44 0.34 -1.57 0.00 0.00 175.55 175.19 2a3f s ASP 173 N -3.84 4.97 0.40 2.29 -1.08 -1.26 -4.95 116.67 113.20 2a3f s ASP 173 Ca 0.35 -3.20 0.27 0.00 -0.52 0.00 0.00 52.55 49.46 2a3f s ASP 173 Cb -0.06 -1.76 0.83 0.00 -1.46 0.00 0.00 42.92 40.48 2a3f s ASP 173 CO 0.23 -0.25 1.77 0.44 0.52 0.00 0.00 175.17 177.88 2a3f h ASP 174 N 6.44 0.00 -0.31 -0.34 3.32 -1.99 -2.65 116.42 120.89 2a3f h ASP 174 Ca 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2a3f h ASP 174 Cb 0.88 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2a3f h ASP 174 CO 0.72 0.00 0.17 -0.61 -1.72 0.00 0.00 179.24 177.80 2a3f h GLN 175 N 0.00 0.44 -0.65 3.56 4.15 -1.94 -2.09 115.11 118.59 2a3f h GLN 175 Ca 0.00 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.29 2a3f h GLN 175 Cb 0.71 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.29 2a3f h GLN 175 CO 0.00 0.38 0.12 0.35 -1.93 0.00 0.00 178.83 177.76 2a3f h PHE 176 N 0.38 1.12 -0.00 3.99 3.57 -1.77 -3.02 116.94 121.21 2a3f h PHE 176 Ca 0.11 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2a3f h PHE 176 Cb 0.08 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.51 2a3f h PHE 176 CO -0.03 0.94 -0.27 0.25 -2.23 0.00 0.00 178.31 176.97 2a3f n THR 177 N -4.27 0.00 -2.83 4.41 -2.24 -1.18 -4.83 114.28 103.33 2a3f n THR 177 Ca 0.04 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 2a3f n THR 177 Cb 0.27 0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.48 2a3f n THR 177 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2a3f s SER 178 N -2.83 6.96 0.00 3.42 0.01 -0.79 -4.76 113.70 115.70 2a3f s SER 178 Ca 0.17 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2a3f s SER 178 Cb 0.19 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.95 2a3f s SER 178 CO 0.59 -0.50 0.00 0.00 0.41 0.00 0.00 173.24 173.74