#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuv s SER 2 N 0.00 6.67 -0.00 1.61 0.15 -1.26 -4.96 113.70 115.91 2yuv s SER 2 Ca 0.00 -2.10 -0.12 0.00 0.70 0.00 0.00 55.95 54.43 2yuv s SER 2 Cb 0.00 -2.42 0.01 0.00 -1.71 0.00 0.00 66.02 61.91 2yuv s SER 2 CO 0.00 -1.07 0.25 -0.94 1.20 0.00 0.00 173.24 172.68 2yuv s SER 3 N 3.67 -0.10 -0.43 5.45 1.04 -1.26 -5.11 113.70 116.95 2yuv s SER 3 Ca 0.35 -0.05 0.06 0.00 0.48 0.00 0.00 55.95 56.79 2yuv s SER 3 Cb -0.04 0.28 0.20 0.00 0.10 0.00 0.00 66.02 66.56 2yuv s SER 3 CO -0.08 -0.43 0.51 0.61 0.98 0.00 0.00 173.24 174.82 2yuv n GLY 4 N 1.27 1.69 0.48 7.32 0.00 -1.26 -4.94 105.19 109.75 2yuv n GLY 4 Ca -0.22 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2yuv n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yuv n SER 5 N 2.31 2.03 -4.25 1.61 3.41 -1.26 -5.06 113.62 112.41 2yuv n SER 5 Ca 0.23 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.54 2yuv n SER 5 Cb 0.52 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.31 2yuv n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yuv s SER 6 N -4.37 2.87 0.00 4.04 1.04 -1.26 -5.10 113.70 110.92 2yuv s SER 6 Ca 0.00 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2yuv s SER 6 Cb 0.00 -0.67 0.00 0.00 0.10 0.00 0.00 66.02 65.45 2yuv s SER 6 CO 0.00 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.07 2yuv n GLY 7 N 2.86 2.14 2.67 7.32 0.00 -1.26 -5.14 105.19 113.78 2yuv n GLY 7 Ca -0.17 0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2yuv n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yuv s ALA 8 N 0.00 0.95 -0.16 4.61 0.00 -1.26 -4.97 121.76 120.93 2yuv s ALA 8 Ca 0.00 -0.94 0.16 0.00 0.00 0.00 0.00 51.96 51.18 2yuv s ALA 8 Cb 0.00 -1.30 -0.23 0.00 0.00 0.00 0.00 23.12 21.59 2yuv s ALA 8 CO 0.00 -1.39 0.10 0.00 0.00 0.00 0.00 175.76 174.47 2yuv n ALA 9 N 5.08 1.70 -2.90 0.00 0.00 -1.26 -4.77 120.51 118.36 2yuv n ALA 9 Ca -0.06 -1.08 -0.43 0.00 0.00 0.00 0.00 53.44 51.86 2yuv n ALA 9 Cb 0.45 -0.19 -0.09 0.00 0.00 0.00 0.00 19.45 19.63 2yuv n ALA 9 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2yuv s PHE 10 N -2.53 3.26 -0.02 0.00 0.08 -1.26 -1.58 117.98 115.93 2yuv s PHE 10 Ca -0.09 -1.02 0.31 0.00 0.12 0.00 0.00 56.93 56.26 2yuv s PHE 10 Cb 0.06 -2.98 1.19 0.00 -0.57 0.00 0.00 43.02 40.72 2yuv s PHE 10 CO 0.73 -0.77 1.91 0.00 -0.10 0.00 0.00 175.22 177.00 2yuv h ALA 11 N 8.63 1.00 -1.79 5.36 0.00 -1.18 -3.41 119.26 127.87 2yuv h ALA 11 Ca -0.27 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 2yuv h ALA 11 Cb 1.11 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.61 2yuv h ALA 11 CO 0.81 0.00 -0.49 0.21 0.00 0.00 0.00 179.25 179.79 2yuv s LYS 12 N -3.57 0.38 0.94 0.00 2.20 -1.13 -4.89 119.74 113.66 2yuv s LYS 12 Ca 0.02 0.42 -0.14 0.00 -0.36 0.00 0.00 55.97 55.91 2yuv s LYS 12 Cb 0.08 -0.38 0.16 0.00 -1.51 0.00 0.00 37.83 36.19 2yuv s LYS 12 CO 0.55 -0.77 1.21 0.96 -0.36 0.00 0.00 175.35 176.95 2yuv s ILE 13 N 2.56 1.95 0.48 5.43 -4.36 -1.26 -1.48 121.20 124.52 2yuv s ILE 13 Ca 0.12 0.00 -0.15 0.00 -0.26 0.00 0.00 60.65 60.36 2yuv s ILE 13 Cb -0.14 -2.88 -0.07 0.00 1.25 0.00 0.00 42.46 40.61 2yuv s ILE 13 CO -0.21 0.00 0.92 -0.76 0.24 0.00 0.00 174.94 175.13 2yuv s LEU 14 N -5.97 3.70 0.74 0.37 1.43 -1.26 -4.88 118.68 112.80 2yuv s LEU 14 Ca 0.68 1.44 -0.16 0.00 -1.03 0.00 0.00 54.13 55.06 2yuv s LEU 14 Cb -0.09 -4.35 0.02 0.00 0.03 0.00 0.00 46.19 41.80 2yuv s LEU 14 CO 0.52 -0.52 1.05 0.47 0.23 0.00 0.00 176.35 178.10 2yuv n ASP 15 N -1.46 0.75 0.09 2.29 8.00 -1.26 -4.88 116.55 120.08 2yuv n ASP 15 Ca 0.05 0.66 0.10 0.00 0.71 0.00 0.00 54.79 56.32 2yuv n ASP 15 Cb 0.54 -1.44 0.44 0.00 -0.02 0.00 0.00 41.12 40.63 2yuv n ASP 15 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2yuv n PRO 16 N -2.18 0.14 -3.64 -0.24 -0.04 -1.26 -4.48 135.00 123.30 2yuv n PRO 16 Ca 0.13 0.38 -0.04 0.00 -0.04 0.00 0.00 63.50 63.93 2yuv n PRO 16 Cb 0.49 -1.76 -0.07 0.00 -0.04 0.00 0.00 33.50 32.12 2yuv n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yuv s ALA 17 N -3.23 -2.21 0.28 0.55 0.00 -1.26 -4.09 121.76 111.81 2yuv s ALA 17 Ca 0.05 1.93 0.10 0.00 0.00 0.00 0.00 51.96 54.03 2yuv s ALA 17 Cb 0.09 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 2yuv s ALA 17 CO 0.35 -0.24 -0.03 0.71 0.00 0.00 0.00 175.76 176.55 2yuv s TYR 18 N 0.57 2.59 -0.02 0.00 1.51 0.33 -4.96 117.35 117.38 2yuv s TYR 18 Ca -0.00 -0.29 -0.00 0.00 -1.01 0.00 0.00 57.07 55.77 2yuv s TYR 18 Cb -0.04 -1.23 0.03 0.00 -0.11 0.00 0.00 41.96 40.61 2yuv s TYR 18 CO -0.11 0.60 0.03 -0.65 -1.11 0.00 0.00 175.55 174.31 2yuv s GLN 19 N -3.66 -0.03 0.03 -0.62 1.11 -1.26 -1.03 119.66 114.21 2yuv s GLN 19 Ca 0.32 0.18 -0.09 0.00 0.01 0.00 0.00 55.36 55.78 2yuv s GLN 19 Cb -0.05 -0.21 0.00 0.00 -1.01 0.00 0.00 33.01 31.74 2yuv s GLN 19 CO 0.19 -0.15 0.18 0.54 0.01 0.00 0.00 175.29 176.06 2yuv s VAL 20 N 0.94 0.11 0.37 1.09 0.11 -1.08 -4.99 120.40 116.95 2yuv s VAL 20 Ca -0.08 -0.90 -0.24 0.00 -2.93 0.00 0.00 61.98 57.84 2yuv s VAL 20 Cb -0.11 -0.86 -0.10 0.00 -1.53 0.00 0.00 36.38 33.78 2yuv s VAL 20 CO -0.03 -0.49 0.98 1.51 -3.33 0.00 0.00 175.10 173.74 2yuv s ASP 21 N -2.01 7.04 0.50 3.54 -4.77 -1.26 -2.72 116.67 117.00 2yuv s ASP 21 Ca -0.06 1.87 -0.19 0.00 -3.30 0.00 0.00 52.55 50.87 2yuv s ASP 21 Cb -0.02 -2.57 -0.13 0.00 -1.09 0.00 0.00 42.92 39.11 2yuv s ASP 21 CO -0.03 -0.28 0.18 1.17 0.70 0.00 0.00 175.17 176.90 2yuv n LYS 22 N 0.05 0.22 -3.65 2.11 0.00 -0.72 -0.78 118.16 115.41 2yuv n LYS 22 Ca 0.04 0.09 -0.25 0.00 0.00 0.00 0.00 58.31 58.19 2yuv n LYS 22 Cb 0.51 -1.28 -0.04 0.00 0.00 0.00 0.00 35.03 34.22 2yuv n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2yuv n GLY 23 N 2.18 -0.45 0.00 3.14 0.00 0.13 -4.85 105.19 105.34 2yuv n GLY 23 Ca 0.10 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2yuv n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuv n GLY 24 N -0.89 2.97 2.93 -0.02 0.00 0.04 -4.53 105.19 105.71 2yuv n GLY 24 Ca 0.06 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 2yuv n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2yuv s ARG 25 N 4.59 0.10 0.51 1.61 3.52 -1.26 -1.64 118.95 126.38 2yuv s ARG 25 Ca 0.00 0.54 0.02 0.00 -0.13 0.00 0.00 55.73 56.16 2yuv s ARG 25 Cb 0.00 -0.17 0.02 0.00 -1.56 0.00 0.00 34.95 33.24 2yuv s ARG 25 CO 0.00 -0.24 0.73 0.14 -0.81 0.00 0.00 175.30 175.12 2yuv s VAL 26 N 1.82 2.98 -0.05 7.11 -7.23 -0.89 -4.90 120.40 119.23 2yuv s VAL 26 Ca -0.03 -0.68 0.03 0.00 -1.81 0.00 0.00 61.98 59.49 2yuv s VAL 26 Cb -0.12 -3.10 0.01 0.00 0.56 0.00 0.00 36.38 33.73 2yuv s VAL 26 CO -0.07 -0.06 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.92 2yuv s ARG 27 N -4.67 1.62 -0.21 4.82 3.52 -1.26 -3.13 118.95 119.64 2yuv s ARG 27 Ca 0.55 -0.46 -0.04 0.00 -0.13 0.00 0.00 55.73 55.65 2yuv s ARG 27 Cb -0.10 -1.38 0.08 0.00 -1.56 0.00 0.00 34.95 32.00 2yuv s ARG 27 CO 0.38 0.11 0.15 -0.06 -0.81 0.00 0.00 175.30 175.07 2yuv s PHE 28 N 0.38 0.03 0.08 5.12 0.08 0.23 -4.98 117.98 118.93 2yuv s PHE 28 Ca -0.09 -0.25 0.04 0.00 0.12 0.00 0.00 56.93 56.75 2yuv s PHE 28 Cb -0.13 -0.62 -0.03 0.00 -0.57 0.00 0.00 43.02 41.67 2yuv s PHE 28 CO 0.03 -0.62 -0.11 0.54 -0.10 0.00 0.00 175.22 174.95 2yuv s VAL 29 N 2.20 0.95 0.09 -0.44 0.11 -1.26 0.24 120.40 122.29 2yuv s VAL 29 Ca 0.05 -1.49 -0.03 0.00 -2.93 0.00 0.00 61.98 57.59 2yuv s VAL 29 Cb -0.16 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.46 2yuv s VAL 29 CO -0.17 -0.44 0.05 0.68 -3.33 0.00 0.00 175.10 171.89 2yuv s VAL 30 N -1.99 0.16 -0.07 2.04 -7.23 -0.53 -4.58 120.40 108.21 2yuv s VAL 30 Ca 0.02 -1.71 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 2yuv s VAL 30 Cb -0.06 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 2yuv s VAL 30 CO 0.01 -0.75 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.26 2yuv s GLU 31 N -3.95 2.71 -0.21 4.82 2.12 -0.55 -2.21 118.70 121.44 2yuv s GLU 31 Ca 0.12 -0.60 -0.02 0.00 0.36 0.00 0.00 54.97 54.83 2yuv s GLU 31 Cb 0.07 -2.53 0.00 0.00 0.26 0.00 0.00 34.13 31.93 2yuv s GLU 31 CO -0.06 0.63 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.67 2yuv s LEU 32 N -0.72 2.64 0.61 2.70 1.43 -0.98 -0.64 118.68 123.72 2yuv s LEU 32 Ca 0.11 -0.52 0.27 0.00 -1.03 0.00 0.00 54.13 52.95 2yuv s LEU 32 Cb -0.11 -1.64 1.22 0.00 0.03 0.00 0.00 46.19 45.69 2yuv s LEU 32 CO 0.01 -0.02 1.64 0.00 0.23 0.00 0.00 176.35 178.21 2yuv h ALA 33 N 8.04 2.36 -2.49 4.21 0.00 -1.59 -3.40 119.26 126.39 2yuv h ALA 33 Ca -0.42 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 2yuv h ALA 33 Cb 1.15 0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.76 2yuv h ALA 33 CO 0.61 -1.06 -0.14 -0.51 0.00 0.00 0.00 179.25 178.15 2yuv s ASP 34 N -4.38 -0.44 0.44 0.00 1.01 -1.26 -5.04 116.67 106.99 2yuv s ASP 34 Ca -0.03 0.71 0.22 0.00 0.71 0.00 0.00 52.55 54.16 2yuv s ASP 34 Cb 0.13 0.75 0.96 0.00 1.01 0.00 0.00 42.92 45.78 2yuv s ASP 34 CO 0.46 -0.29 1.86 1.55 0.21 0.00 0.00 175.17 178.96 2yuv h PRO 35 N 4.71 0.00 -0.77 8.23 0.13 -1.96 -3.03 132.00 139.31 2yuv h PRO 35 Ca -0.28 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.92 2yuv h PRO 35 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 2yuv h PRO 35 CO 0.28 0.26 0.51 0.87 -0.23 0.00 0.00 178.00 179.68 2yuv h LYS 36 N 0.00 0.77 -6.99 0.86 1.57 -1.96 -3.42 116.57 107.40 2yuv h LYS 36 Ca -0.00 -0.05 -0.53 0.00 -1.87 0.00 0.00 60.65 58.20 2yuv h LYS 36 Cb 0.69 -0.17 0.10 0.00 0.08 0.00 0.00 32.23 32.92 2yuv h LYS 36 CO 0.03 0.51 0.59 -0.51 -0.57 0.00 0.00 179.45 179.50 2yuv s LEU 37 N -9.76 4.06 0.43 2.94 1.43 -1.15 -5.02 118.68 111.61 2yuv s LEU 37 Ca -0.10 2.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 2yuv s LEU 37 Cb 0.20 -4.09 -0.01 0.00 0.03 0.00 0.00 46.19 42.32 2yuv s LEU 37 CO 0.78 -1.09 0.65 -1.61 0.23 0.00 0.00 176.35 175.30 2yuv s GLU 38 N -2.55 3.15 -0.00 1.70 8.01 -1.26 -4.98 118.70 122.77 2yuv s GLU 38 Ca 0.63 -0.45 0.02 0.00 0.01 0.00 0.00 54.97 55.18 2yuv s GLU 38 Cb -0.37 -2.57 -0.01 0.00 -4.31 0.00 0.00 34.13 26.87 2yuv s GLU 38 CO 0.46 -0.19 -0.08 0.14 0.01 0.00 0.00 175.26 175.60 2yuv s VAL 39 N -2.51 0.61 -0.05 2.63 -7.23 -1.26 -4.05 120.40 108.54 2yuv s VAL 39 Ca 0.47 -0.39 -0.02 0.00 -1.81 0.00 0.00 61.98 60.23 2yuv s VAL 39 Cb -0.10 -0.53 0.04 0.00 0.56 0.00 0.00 36.38 36.35 2yuv s VAL 39 CO 0.38 0.14 0.09 -0.54 -0.31 0.00 0.00 175.10 174.85 2yuv s LYS 40 N -0.28 -0.01 -0.11 4.82 1.02 -1.10 -4.97 119.74 119.10 2yuv s LYS 40 Ca 0.02 0.38 -0.14 0.00 0.02 0.00 0.00 55.97 56.25 2yuv s LYS 40 Cb -0.03 -0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 36.90 2yuv s LYS 40 CO -0.00 -0.26 0.34 -1.58 -0.92 0.00 0.00 175.35 172.93 2yuv s TRP 41 N 1.76 3.55 0.04 3.18 0.52 -1.26 -2.46 118.94 124.27 2yuv s TRP 41 Ca -0.01 0.74 0.05 0.00 0.02 0.00 0.00 56.10 56.89 2yuv s TRP 41 Cb -0.12 -2.33 -0.02 0.00 -1.15 0.00 0.00 33.47 29.85 2yuv s TRP 41 CO -0.04 0.37 -0.14 0.71 0.02 0.00 0.00 176.95 177.88 2yuv s TYR 42 N -0.03 1.20 -0.27 -1.98 1.51 -1.09 -0.42 117.35 116.27 2yuv s TYR 42 Ca 0.20 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.88 2yuv s TYR 42 Cb -0.14 -0.71 0.08 0.00 -0.11 0.00 0.00 41.96 41.09 2yuv s TYR 42 CO 0.07 0.03 0.05 0.21 -1.11 0.00 0.00 175.55 174.80 2yuv s LYS 43 N -1.21 0.94 -0.86 -0.62 2.20 0.64 -2.70 119.74 118.12 2yuv s LYS 43 Ca 0.01 -0.96 -0.04 0.00 -0.36 0.00 0.00 55.97 54.61 2yuv s LYS 43 Cb -0.08 -2.23 0.00 0.00 -1.51 0.00 0.00 37.83 34.01 2yuv s LYS 43 CO 0.01 -0.82 0.74 -1.71 -0.36 0.00 0.00 175.35 173.21 2yuv n ASN 44 N 4.82 -3.98 -1.69 1.43 5.15 -1.24 -3.07 115.26 116.68 2yuv n ASN 44 Ca -0.05 -0.37 -0.12 0.00 -0.60 0.00 0.00 54.58 53.44 2yuv n ASN 44 Cb 0.44 -3.49 0.02 0.00 -0.53 0.00 0.00 39.78 36.22 2yuv n ASN 44 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2yuv n GLY 45 N -1.36 0.07 3.11 8.20 0.00 -1.26 -5.02 105.19 108.92 2yuv n GLY 45 Ca -0.06 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 2yuv n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yuv s GLN 46 N -5.16 0.29 0.65 1.61 -0.21 -1.17 -5.15 119.66 110.52 2yuv s GLN 46 Ca 0.17 0.82 -0.17 0.00 0.02 0.00 0.00 55.36 56.20 2yuv s GLN 46 Cb -0.07 -0.00 -0.09 0.00 1.00 0.00 0.00 33.01 33.84 2yuv s GLN 46 CO 0.21 -0.38 0.22 -1.91 -2.12 0.00 0.00 175.29 171.31 2yuv n GLU 47 N 5.37 0.24 -4.22 2.91 0.00 -1.26 -0.26 120.64 123.41 2yuv n GLU 47 Ca -0.07 0.10 -0.34 0.00 0.00 0.00 0.00 57.16 56.85 2yuv n GLU 47 Cb 0.50 -1.49 -0.11 0.00 0.00 0.00 0.00 31.44 30.34 2yuv n GLU 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2yuv s ILE 48 N -1.90 4.36 -0.02 6.31 1.01 0.44 -4.67 121.20 126.73 2yuv s ILE 48 Ca 0.61 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.99 2yuv s ILE 48 Cb -0.39 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 2yuv s ILE 48 CO 0.62 0.50 0.25 0.00 0.00 0.00 0.00 174.94 176.31 2yuv s ARG 49 N 0.14 3.58 -0.13 2.79 1.04 -1.26 -4.83 118.95 120.28 2yuv s ARG 49 Ca 0.02 -0.04 -0.29 0.00 -1.04 0.00 0.00 55.73 54.37 2yuv s ARG 49 Cb -0.13 -3.12 -0.04 0.00 -2.04 0.00 0.00 34.95 29.62 2yuv s ARG 49 CO 0.02 0.69 1.55 -1.25 -0.04 0.00 0.00 175.30 176.26 2yuv s PRO 50 N -1.51 4.08 0.34 3.89 0.04 -1.26 -4.65 135.00 135.93 2yuv s PRO 50 Ca 0.24 1.91 -0.06 0.00 0.04 0.00 0.00 61.00 63.13 2yuv s PRO 50 Cb -0.13 -3.95 0.02 0.00 0.04 0.00 0.00 34.50 30.48 2yuv s PRO 50 CO 0.13 -0.95 0.55 0.45 0.04 0.00 0.00 177.00 177.22 2yuv n SER 51 N 7.40 -1.56 0.26 6.66 2.88 -1.14 -4.96 113.62 123.16 2yuv n SER 51 Ca 0.17 -2.67 0.14 0.00 -1.33 0.00 0.00 58.87 55.18 2yuv n SER 51 Cb 0.44 2.76 0.75 0.00 -0.75 0.00 0.00 64.21 67.41 2yuv n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yuv h THR 52 N 1.94 0.00 0.09 2.46 1.03 -2.00 -0.95 112.91 115.48 2yuv h THR 52 Ca -0.27 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 65.81 2yuv h THR 52 Cb 1.12 0.61 -0.02 0.00 -1.07 0.00 0.00 68.15 68.79 2yuv h THR 52 CO 0.36 0.00 -1.69 0.50 -0.01 0.00 0.00 175.52 174.68 2yuv h LYS 53 N 0.00 0.20 -4.68 0.00 3.64 -1.93 -3.45 116.57 110.35 2yuv h LYS 53 Ca 0.00 -0.34 -0.69 0.00 -1.27 0.00 0.00 60.65 58.35 2yuv h LYS 53 Cb 0.38 0.13 -0.20 0.00 -0.41 0.00 0.00 32.23 32.12 2yuv h LYS 53 CO 0.00 1.16 -0.49 0.71 -2.27 0.00 0.00 179.45 178.57 2yuv s TYR 54 N -2.49 3.22 -0.49 1.91 2.02 -0.36 -2.27 117.35 118.89 2yuv s TYR 54 Ca -0.23 -0.41 -0.17 0.00 -0.37 0.00 0.00 57.07 55.88 2yuv s TYR 54 Cb 0.06 -2.47 0.07 0.00 -0.40 0.00 0.00 41.96 39.22 2yuv s TYR 54 CO 0.73 -0.44 0.49 0.42 -1.57 0.00 0.00 175.55 175.17 2yuv s ILE 55 N 1.68 5.09 -0.28 2.71 -1.09 -0.36 -2.90 121.20 126.05 2yuv s ILE 55 Ca 0.05 -0.84 -0.17 0.00 -2.23 0.00 0.00 60.65 57.46 2yuv s ILE 55 Cb -0.18 -4.20 -0.02 0.00 -1.58 0.00 0.00 42.46 36.48 2yuv s ILE 55 CO 0.09 -0.68 0.49 -0.36 -1.23 0.00 0.00 174.94 173.26 2yuv s PHE 56 N 2.04 3.25 0.21 3.97 0.40 -1.26 -2.41 117.98 124.17 2yuv s PHE 56 Ca 0.08 0.52 0.07 0.00 -0.60 0.00 0.00 56.93 57.01 2yuv s PHE 56 Cb -0.22 -2.74 -0.05 0.00 0.51 0.00 0.00 43.02 40.52 2yuv s PHE 56 CO 0.09 -0.32 -0.13 -1.21 0.70 0.00 0.00 175.22 174.34 2yuv s GLU 57 N 2.29 1.33 -0.07 0.44 8.01 -0.82 -4.99 118.70 124.89 2yuv s GLU 57 Ca 0.20 -1.60 -0.03 0.00 0.01 0.00 0.00 54.97 53.55 2yuv s GLU 57 Cb -0.16 -1.08 0.04 0.00 -4.31 0.00 0.00 34.13 28.62 2yuv s GLU 57 CO 0.10 0.16 0.10 -1.58 0.01 0.00 0.00 175.26 174.06 2yuv s HIS 58 N -3.01 -0.03 -0.42 1.61 2.46 -1.26 -1.53 115.29 113.11 2yuv s HIS 58 Ca 0.23 0.38 0.02 0.00 0.47 0.00 0.00 55.06 56.15 2yuv s HIS 58 Cb -0.00 -0.40 0.14 0.00 -0.13 0.00 0.00 32.58 32.19 2yuv s HIS 58 CO 0.07 -0.24 0.26 0.15 -2.47 0.00 0.00 174.74 172.50 2yuv s LYS 59 N 2.22 1.08 -0.08 2.88 1.02 -0.05 -4.97 119.74 121.84 2yuv s LYS 59 Ca 0.04 -1.89 -0.06 0.00 0.02 0.00 0.00 55.97 54.09 2yuv s LYS 59 Cb -0.12 -1.98 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 2yuv s LYS 59 CO -0.04 -1.21 0.12 0.41 -0.92 0.00 0.00 175.35 173.71 2yuv n GLY 60 N 3.53 -3.27 3.80 -3.33 0.00 -1.26 -3.40 105.19 101.27 2yuv n GLY 60 Ca 0.13 0.88 -0.29 0.00 0.00 0.00 0.00 46.02 46.74 2yuv n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yuv s GLN 62 N -5.89 0.21 -0.27 0.00 0.74 -1.22 -2.31 119.66 110.92 2yuv s GLN 62 Ca 0.38 0.62 -0.08 0.00 0.05 0.00 0.00 55.36 56.34 2yuv s GLN 62 Cb -0.22 -0.33 -0.02 0.00 1.10 0.00 0.00 33.01 33.53 2yuv s GLN 62 CO 0.76 -0.43 0.10 1.03 -0.55 0.00 0.00 175.29 176.20 2yuv s ARG 63 N 2.45 3.59 0.12 1.67 1.81 -0.94 -0.87 118.95 126.78 2yuv s ARG 63 Ca 0.04 -0.53 0.04 0.00 -1.72 0.00 0.00 55.73 53.56 2yuv s ARG 63 Cb -0.13 -3.41 -0.04 0.00 -0.45 0.00 0.00 34.95 30.92 2yuv s ARG 63 CO -0.11 -0.25 0.13 0.42 -0.68 0.00 0.00 175.30 174.81 2yuv s ILE 64 N 1.62 4.64 -0.10 1.52 1.01 -0.58 -1.45 121.20 127.86 2yuv s ILE 64 Ca 0.06 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 2yuv s ILE 64 Cb -0.16 -3.31 0.05 0.00 0.01 0.00 0.00 42.46 39.05 2yuv s ILE 64 CO 0.05 0.01 0.24 -0.22 0.00 0.00 0.00 174.94 175.02 2yuv s LEU 65 N -2.75 0.36 -0.03 2.97 1.98 0.65 -1.95 118.68 119.91 2yuv s LEU 65 Ca 0.31 0.51 0.07 0.00 -2.89 0.00 0.00 54.13 52.12 2yuv s LEU 65 Cb -0.11 0.69 -0.02 0.00 0.66 0.00 0.00 46.19 47.41 2yuv s LEU 65 CO 0.24 -0.17 -0.23 -0.36 -1.89 0.00 0.00 176.35 173.94 2yuv s PHE 66 N 1.39 2.06 -0.21 5.38 0.08 -1.01 0.76 117.98 126.43 2yuv s PHE 66 Ca -0.08 -0.44 0.01 0.00 0.12 0.00 0.00 56.93 56.54 2yuv s PHE 66 Cb -0.11 -1.34 0.04 0.00 -0.57 0.00 0.00 43.02 41.05 2yuv s PHE 66 CO -0.08 -0.07 -0.14 0.42 -0.10 0.00 0.00 175.22 175.24 2yuv s ILE 67 N -0.42 1.92 0.57 0.64 1.01 -1.18 -1.23 121.20 122.51 2yuv s ILE 67 Ca 0.06 -1.15 -0.03 0.00 0.00 0.00 0.00 60.65 59.52 2yuv s ILE 67 Cb -0.10 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.48 2yuv s ILE 67 CO 0.00 0.25 0.84 0.20 0.00 0.00 0.00 174.94 176.23 2yuv s ASN 68 N 1.28 5.49 -1.09 3.58 0.01 -0.96 -2.10 114.94 121.16 2yuv s ASN 68 Ca -0.01 0.47 -0.01 0.00 -0.71 0.00 0.00 52.86 52.60 2yuv s ASN 68 Cb -0.16 -1.46 0.00 0.00 0.41 0.00 0.00 41.25 40.04 2yuv s ASN 68 CO -0.09 -1.06 0.91 0.59 -1.51 0.00 0.00 177.10 175.93 2yuv n ASN 69 N -2.47 -2.30 -4.64 -1.22 4.13 -0.65 -4.90 115.26 103.20 2yuv n ASN 69 Ca 0.05 -0.55 -0.43 0.00 1.68 0.00 0.00 54.58 55.33 2yuv n ASN 69 Cb 0.58 -4.65 -0.03 0.00 -1.54 0.00 0.00 39.78 34.15 2yuv n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yuv s GLN 71 N 4.69 1.60 0.03 0.00 2.00 -1.26 0.22 119.66 126.94 2yuv s GLN 71 Ca 0.78 -1.75 -0.12 0.00 -2.00 0.00 0.00 55.36 52.27 2yuv s GLN 71 Cb -0.31 -1.55 -0.06 0.00 0.80 0.00 0.00 33.01 31.89 2yuv s GLN 71 CO 0.32 0.24 1.19 0.52 -0.50 0.00 0.00 175.29 177.06 2yuv h MET 72 N 2.31 -0.37 -0.24 1.67 2.86 -1.92 -1.34 114.93 117.90 2yuv h MET 72 Ca -0.40 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.34 2yuv h MET 72 Cb 1.25 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.98 2yuv h MET 72 CO 0.63 -0.24 0.36 0.00 1.06 0.00 0.00 176.91 178.71 2yuv h THR 73 N -0.38 0.28 -0.16 2.22 1.03 -1.98 0.17 112.91 114.09 2yuv h THR 73 Ca -0.03 0.00 -0.17 0.00 -0.01 0.00 0.00 66.41 66.20 2yuv h THR 73 Cb 0.31 0.70 -0.00 0.00 -1.07 0.00 0.00 68.15 68.08 2yuv h THR 73 CO 0.01 0.00 -0.59 0.44 -0.01 0.00 0.00 175.52 175.37 2yuv h ASP 74 N 0.00 0.61 -0.54 0.00 5.19 -1.80 -3.44 116.42 116.44 2yuv h ASP 74 Ca 0.12 -0.34 -0.78 0.00 -0.62 0.00 0.00 57.03 55.40 2yuv h ASP 74 Cb 0.83 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 2yuv h ASP 74 CO -0.00 1.06 1.13 -0.90 -3.12 0.00 0.00 179.24 177.41 2yuv n ASP 75 N -3.94 1.20 -4.15 6.45 5.75 0.58 -4.90 116.55 117.54 2yuv n ASP 75 Ca -0.04 0.82 -0.16 0.00 -0.01 0.00 0.00 54.79 55.40 2yuv n ASP 75 Cb 0.63 -0.96 -0.10 0.00 -1.03 0.00 0.00 41.12 39.66 2yuv n ASP 75 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2yuv s SER 76 N 5.16 0.93 -0.47 -1.12 0.15 -1.26 -4.98 113.70 112.11 2yuv s SER 76 Ca 1.13 -1.45 -0.19 0.00 0.70 0.00 0.00 55.95 56.14 2yuv s SER 76 Cb -1.38 0.31 0.04 0.00 -1.71 0.00 0.00 66.02 63.29 2yuv s SER 76 CO 0.68 -0.82 0.57 -0.70 1.20 0.00 0.00 173.24 174.16 2yuv s GLU 77 N -4.00 3.14 0.10 5.44 2.12 -1.26 -3.49 118.70 120.75 2yuv s GLU 77 Ca 0.38 -0.78 -0.20 0.00 0.36 0.00 0.00 54.97 54.72 2yuv s GLU 77 Cb 0.07 -4.04 -0.07 0.00 0.26 0.00 0.00 34.13 30.35 2yuv s GLU 77 CO 0.15 -1.08 0.61 0.71 -0.54 0.00 0.00 175.26 175.11 2yuv s TYR 78 N 2.48 3.82 -0.08 5.30 1.51 -1.02 -3.71 117.35 125.66 2yuv s TYR 78 Ca 0.15 1.35 -0.03 0.00 -1.01 0.00 0.00 57.07 57.52 2yuv s TYR 78 Cb -0.18 -2.55 0.04 0.00 -0.11 0.00 0.00 41.96 39.16 2yuv s TYR 78 CO 0.13 0.57 0.17 1.52 -1.11 0.00 0.00 175.55 176.83 2yuv s TYR 79 N -1.13 -0.20 0.12 2.71 1.13 -1.10 -0.08 117.35 118.80 2yuv s TYR 79 Ca 0.31 0.57 0.04 0.00 -1.41 0.00 0.00 57.07 56.57 2yuv s TYR 79 Cb -0.20 -0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.54 2yuv s TYR 79 CO 0.21 -0.20 0.13 0.54 -2.51 0.00 0.00 175.55 173.71 2yuv s VAL 80 N 1.37 4.61 -0.04 -3.49 0.11 -0.89 -2.67 120.40 119.39 2yuv s VAL 80 Ca -0.07 -0.88 0.05 0.00 -2.93 0.00 0.00 61.98 58.14 2yuv s VAL 80 Cb -0.11 -3.30 -0.01 0.00 -1.53 0.00 0.00 36.38 31.43 2yuv s VAL 80 CO -0.06 0.00 -0.18 0.42 -3.33 0.00 0.00 175.10 171.95 2yuv s THR 81 N -1.58 1.51 -0.23 5.04 -4.23 -1.03 -2.35 115.64 112.77 2yuv s THR 81 Ca 0.31 -0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 60.02 2yuv s THR 81 Cb -0.11 -1.29 0.12 0.00 1.34 0.00 0.00 72.50 72.55 2yuv s THR 81 CO 0.23 0.43 0.31 0.00 -0.54 0.00 0.00 174.62 175.05 2yuv s ALA 82 N -0.04 -0.70 0.00 3.99 0.00 -0.52 -2.72 121.76 121.77 2yuv s ALA 82 Ca -0.02 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2yuv s ALA 82 Cb -0.11 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.45 2yuv s ALA 82 CO 0.02 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 174.88 2yuv n GLY 83 N 5.34 2.18 0.44 0.00 0.00 -1.26 -2.56 105.19 109.33 2yuv n GLY 83 Ca -0.04 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.87 2yuv n GLY 83 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2yuv n ASP 84 N 9.87 2.80 -4.30 1.61 -0.08 -1.26 -5.01 116.55 120.18 2yuv n ASP 84 Ca 0.00 -2.39 -0.17 0.00 -1.51 0.00 0.00 54.79 50.72 2yuv n ASP 84 Cb 0.00 -0.27 -0.10 0.00 2.34 0.00 0.00 41.12 43.09 2yuv n ASP 84 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2yuv s GLU 85 N -1.69 1.19 0.01 -0.67 0.41 -1.06 -5.03 118.70 111.87 2yuv s GLU 85 Ca 0.22 -1.48 -0.28 0.00 -0.41 0.00 0.00 54.97 53.03 2yuv s GLU 85 Cb 0.16 -0.95 0.08 0.00 -1.78 0.00 0.00 34.13 31.64 2yuv s GLU 85 CO 0.08 0.16 0.71 -1.59 -0.49 0.00 0.00 175.26 174.13 2yuv s LYS 86 N -3.46 1.05 0.25 1.61 -2.85 -1.26 -1.43 119.74 113.65 2yuv s LYS 86 Ca 0.18 -0.05 0.01 0.00 -1.00 0.00 0.00 55.97 55.11 2yuv s LYS 86 Cb -0.01 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.21 2yuv s LYS 86 CO 0.04 -0.39 0.15 0.00 0.10 0.00 0.00 175.35 175.25 2yuv s SER 88 N -3.26 0.26 0.18 0.00 1.04 -1.26 -2.10 113.70 108.57 2yuv s SER 88 Ca 0.38 -0.73 -0.03 0.00 0.48 0.00 0.00 55.95 56.05 2yuv s SER 88 Cb 0.06 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 2yuv s SER 88 CO 0.15 -0.61 0.17 0.28 0.98 0.00 0.00 173.24 174.21 2yuv s THR 89 N -3.44 0.04 -0.09 2.02 -1.32 0.88 -4.84 115.64 108.89 2yuv s THR 89 Ca 0.02 -1.84 0.03 0.00 -1.21 0.00 0.00 61.69 58.70 2yuv s THR 89 Cb 0.04 -2.27 0.01 0.00 -1.51 0.00 0.00 72.50 68.77 2yuv s THR 89 CO -0.08 -0.16 -0.19 -1.61 -2.21 0.00 0.00 174.62 170.36 2yuv s GLU 90 N -4.09 2.50 -0.22 7.08 2.02 -1.26 -2.44 118.70 122.29 2yuv s GLU 90 Ca 0.31 -0.69 -0.12 0.00 0.02 0.00 0.00 54.97 54.48 2yuv s GLU 90 Cb 0.06 -1.94 -0.05 0.00 0.10 0.00 0.00 34.13 32.30 2yuv s GLU 90 CO 0.08 0.11 0.23 -1.17 0.02 0.00 0.00 175.26 174.53 2yuv s LEU 91 N 0.48 4.14 -0.50 1.80 1.98 -1.23 -0.51 118.68 124.85 2yuv s LEU 91 Ca -0.17 0.26 -0.03 0.00 -2.89 0.00 0.00 54.13 51.30 2yuv s LEU 91 Cb -0.17 -2.24 0.13 0.00 0.66 0.00 0.00 46.19 44.57 2yuv s LEU 91 CO 0.07 0.04 0.30 -0.36 -1.89 0.00 0.00 176.35 174.51 2yuv s PHE 92 N 1.04 3.51 -0.31 5.38 0.08 -0.20 -4.54 117.98 122.94 2yuv s PHE 92 Ca 0.11 -2.51 -0.14 0.00 0.12 0.00 0.00 56.93 54.52 2yuv s PHE 92 Cb -0.14 -3.23 -0.03 0.00 -0.57 0.00 0.00 43.02 39.06 2yuv s PHE 92 CO 0.05 -0.92 0.31 0.54 -0.10 0.00 0.00 175.22 175.09 2yuv s VAL 93 N 0.68 5.22 0.50 -0.44 0.11 -1.26 -2.65 120.40 122.56 2yuv s VAL 93 Ca 0.12 0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 59.31 2yuv s VAL 93 Cb -0.22 -3.70 -0.01 0.00 -1.53 0.00 0.00 36.38 30.91 2yuv s VAL 93 CO -0.04 0.07 0.77 -0.13 -3.33 0.00 0.00 175.10 172.44 2yuv s ARG 94 N 1.93 3.19 -0.19 1.54 0.52 -1.10 -4.58 118.95 120.25 2yuv s ARG 94 Ca 0.11 -0.11 -0.05 0.00 -0.52 0.00 0.00 55.73 55.16 2yuv s ARG 94 Cb -0.16 -2.41 -0.10 0.00 0.52 0.00 0.00 34.95 32.79 2yuv s ARG 94 CO 0.11 -0.37 -0.22 0.45 0.02 0.00 0.00 175.30 175.30 2yuv n SER 95 N -2.28 1.88 0.00 0.23 2.88 -1.26 -1.75 113.62 113.31 2yuv n SER 95 Ca 0.02 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2yuv n SER 95 Cb 0.57 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2yuv n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuv n GLY 96 N 2.12 0.32 0.00 0.46 0.00 -1.26 -4.70 105.19 102.14 2yuv n GLY 96 Ca -0.36 -1.45 0.07 0.00 0.00 0.00 0.00 46.02 44.28 2yuv n GLY 96 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yuv n PRO 97 N 0.90 0.21 -3.98 1.61 -0.04 -1.26 -4.77 135.00 127.68 2yuv n PRO 97 Ca 0.00 0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.51 2yuv n PRO 97 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2yuv n PRO 97 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2yuv s SER 98 N -2.56 0.07 -0.29 3.54 1.04 -1.26 -5.17 113.70 109.07 2yuv s SER 98 Ca 0.14 -0.91 -0.12 0.00 0.48 0.00 0.00 55.95 55.54 2yuv s SER 98 Cb 0.10 0.42 0.11 0.00 0.10 0.00 0.00 66.02 66.75 2yuv s SER 98 CO 0.22 -0.88 0.66 -0.55 0.98 0.00 0.00 173.24 173.67 2yuv s SER 99 N -2.98 -1.05 0.00 7.02 0.15 -1.26 -5.09 113.70 110.49 2yuv s SER 99 Ca 0.18 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.37 2yuv s SER 99 Cb 0.04 1.95 0.00 0.00 -1.71 0.00 0.00 66.02 66.30 2yuv s SER 99 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.83