#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 0.58 0.20 1.61 1.04 -1.26 -5.05 113.70 110.81 2yuv s SER 2 Ca 0.00 -0.23 -0.21 0.00 0.48 0.00 0.00 55.95 55.99 2yuv s SER 2 Cb 0.00 -0.02 0.13 0.00 0.10 0.00 0.00 66.02 66.23 2yuv s SER 2 CO 0.00 -0.04 1.57 -1.28 0.98 0.00 0.00 173.24 174.47 2yuv h SER 3 N 5.53 -1.37 0.00 7.02 0.87 -2.06 -3.45 113.55 120.09 2yuv h SER 3 Ca -0.30 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2yuv h SER 3 Cb 1.20 0.68 0.00 0.00 -0.44 0.00 0.00 62.40 63.83 2yuv h SER 3 CO 0.47 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.08 2yuv n GLY 4 N -1.43 2.51 2.53 5.77 0.00 -1.26 -4.72 105.19 108.58 2yuv n GLY 4 Ca 0.05 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 2yuv n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yuv n SER 5 N 3.03 7.35 -4.30 1.61 2.88 -1.26 -4.95 113.62 117.97 2yuv n SER 5 Ca 0.00 -3.80 -0.29 0.00 -1.33 0.00 0.00 58.87 53.44 2yuv n SER 5 Cb 0.00 -0.95 -0.15 0.00 -0.75 0.00 0.00 64.21 62.36 2yuv n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yuv s SER 6 N -1.75 2.94 0.00 -3.46 1.04 -1.26 -5.11 113.70 106.10 2yuv s SER 6 Ca 0.59 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.51 2yuv s SER 6 Cb 0.47 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2yuv s SER 6 CO -0.16 0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.94 2yuv n GLY 7 N 2.12 2.74 3.23 7.32 0.00 -1.26 -5.08 105.19 114.26 2yuv n GLY 7 Ca -0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 -1.85 -0.17 4.61 0.00 -1.26 -5.02 121.76 116.08 2yuv s ALA 8 Ca 0.00 1.73 0.18 0.00 0.00 0.00 0.00 51.96 53.87 2yuv s ALA 8 Cb 0.00 -1.88 -0.26 0.00 0.00 0.00 0.00 23.12 20.98 2yuv s ALA 8 CO 0.00 -1.16 0.19 0.00 0.00 0.00 0.00 175.76 174.79 2yuv n ALA 9 N 5.42 1.67 -2.87 0.00 0.00 -1.26 -4.72 120.51 118.74 2yuv n ALA 9 Ca -0.05 -1.17 -0.41 0.00 0.00 0.00 0.00 53.44 51.81 2yuv n ALA 9 Cb 0.50 -0.33 -0.11 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.64 3.26 0.17 0.00 0.08 -1.26 -1.65 117.98 115.95 2yuv s PHE 10 Ca -0.09 -1.03 0.24 0.00 0.12 0.00 0.00 56.93 56.17 2yuv s PHE 10 Cb 0.07 -2.60 0.98 0.00 -0.57 0.00 0.00 43.02 40.91 2yuv s PHE 10 CO 0.84 -0.69 1.86 0.00 -0.10 0.00 0.00 175.22 177.12 2yuv h ALA 11 N 8.47 1.05 -2.14 5.36 0.00 -1.07 -3.41 119.26 127.52 2yuv h ALA 11 Ca -0.25 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 2yuv h ALA 11 Cb 1.10 -0.03 -0.32 0.00 0.00 0.00 0.00 17.79 18.53 2yuv h ALA 11 CO 0.71 0.27 -0.55 0.21 0.00 0.00 0.00 179.25 179.88 2yuv s LYS 12 N -3.71 0.29 0.72 0.00 2.47 -1.16 -4.93 119.74 113.41 2yuv s LYS 12 Ca 0.00 0.32 -0.10 0.00 -1.56 0.00 0.00 55.97 54.64 2yuv s LYS 12 Cb 0.11 -0.76 0.04 0.00 -1.46 0.00 0.00 37.83 35.76 2yuv s LYS 12 CO 0.63 -0.71 1.07 0.96 0.16 0.00 0.00 175.35 177.46 2yuv s ILE 13 N 2.45 2.78 0.49 5.43 -4.36 -1.26 -2.34 121.20 124.38 2yuv s ILE 13 Ca 0.10 0.08 -0.19 0.00 -0.26 0.00 0.00 60.65 60.38 2yuv s ILE 13 Cb -0.15 -3.22 -0.09 0.00 1.25 0.00 0.00 42.46 40.25 2yuv s ILE 13 CO -0.17 -0.26 0.99 -0.76 0.24 0.00 0.00 174.94 174.97 2yuv s LEU 14 N -5.34 3.76 0.66 0.37 1.43 -1.26 -4.97 118.68 113.33 2yuv s LEU 14 Ca 0.59 1.69 -0.17 0.00 -1.03 0.00 0.00 54.13 55.20 2yuv s LEU 14 Cb -0.11 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.55 2yuv s LEU 14 CO 0.48 -0.59 0.92 0.47 0.23 0.00 0.00 176.35 177.87 2yuv n ASP 15 N -1.20 0.47 0.00 2.29 9.92 -1.26 -4.86 116.55 121.91 2yuv n ASP 15 Ca 0.07 0.73 0.07 0.00 -0.53 0.00 0.00 54.79 55.14 2yuv n ASP 15 Cb 0.54 -1.38 0.32 0.00 -0.64 0.00 0.00 41.12 39.96 2yuv n ASP 15 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2yuv n PRO 16 N -1.30 0.06 -3.60 -0.24 -0.04 -1.26 -4.47 135.00 124.15 2yuv n PRO 16 Ca 0.13 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2yuv n PRO 16 Cb 0.48 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.87 -2.54 0.35 0.55 0.00 -1.26 -4.05 121.76 111.94 2yuv s ALA 17 Ca 0.09 2.07 0.08 0.00 0.00 0.00 0.00 51.96 54.20 2yuv s ALA 17 Cb 0.09 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 2yuv s ALA 17 CO 0.25 -0.42 0.25 0.71 0.00 0.00 0.00 175.76 176.55 2yuv s TYR 18 N 1.35 2.82 -0.15 0.00 1.51 -0.09 -4.98 117.35 117.82 2yuv s TYR 18 Ca -0.08 -0.35 -0.06 0.00 -1.01 0.00 0.00 57.07 55.57 2yuv s TYR 18 Cb -0.03 -1.79 0.07 0.00 -0.11 0.00 0.00 41.96 40.10 2yuv s TYR 18 CO -0.13 0.20 0.34 -0.65 -1.11 0.00 0.00 175.55 174.20 2yuv s GLN 19 N -3.96 0.26 0.14 -0.62 -0.21 -1.26 -1.93 119.66 112.07 2yuv s GLN 19 Ca 0.41 0.81 -0.02 0.00 0.02 0.00 0.00 55.36 56.57 2yuv s GLN 19 Cb -0.04 0.06 -0.04 0.00 1.00 0.00 0.00 33.01 33.99 2yuv s GLN 19 CO 0.25 -0.23 0.08 0.54 -2.12 0.00 0.00 175.29 173.82 2yuv s VAL 20 N 2.08 0.09 0.25 1.09 0.11 -1.01 -5.01 120.40 118.01 2yuv s VAL 20 Ca -0.04 -1.87 -0.17 0.00 -2.93 0.00 0.00 61.98 56.97 2yuv s VAL 20 Cb -0.11 -2.07 -0.08 0.00 -1.53 0.00 0.00 36.38 32.59 2yuv s VAL 20 CO -0.11 -0.41 0.71 1.51 -3.33 0.00 0.00 175.10 173.48 2yuv s ASP 21 N -3.05 6.93 0.85 3.54 -4.77 -1.26 -2.04 116.67 116.86 2yuv s ASP 21 Ca 0.25 1.33 -0.16 0.00 -3.30 0.00 0.00 52.55 50.67 2yuv s ASP 21 Cb 0.07 -2.39 -0.10 0.00 -1.09 0.00 0.00 42.92 39.41 2yuv s ASP 21 CO 0.03 -0.05 -0.24 1.17 0.70 0.00 0.00 175.17 176.77 2yuv n LYS 22 N 0.32 0.00 -2.42 2.11 4.81 -0.98 -0.84 118.16 121.15 2yuv n LYS 22 Ca -0.00 0.02 -0.05 0.00 -0.87 0.00 0.00 58.31 57.40 2yuv n LYS 22 Cb 0.52 -1.29 -0.01 0.00 0.02 0.00 0.00 35.03 34.27 2yuv n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2yuv n GLY 23 N 2.65 -0.40 0.00 3.14 0.00 0.64 -4.80 105.19 106.42 2yuv n GLY 23 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.49 2.37 2.82 -0.02 0.00 -0.02 -4.36 105.19 105.48 2yuv n GLY 24 Ca 0.01 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.02 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 3.92 0.01 0.47 1.61 3.52 -1.26 -1.97 118.95 125.25 2yuv s ARG 25 Ca 0.00 0.30 0.04 0.00 -0.13 0.00 0.00 55.73 55.94 2yuv s ARG 25 Cb 0.00 -0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.15 2yuv s ARG 25 CO 0.00 -0.20 0.66 0.14 -0.81 0.00 0.00 175.30 175.10 2yuv s VAL 26 N 1.32 3.08 -0.10 7.11 -7.23 -1.06 -4.90 120.40 118.62 2yuv s VAL 26 Ca -0.07 -0.79 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 2yuv s VAL 26 Cb -0.12 -3.10 0.02 0.00 0.56 0.00 0.00 36.38 33.73 2yuv s VAL 26 CO -0.04 -0.06 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.95 2yuv s ARG 27 N -4.54 2.02 -0.21 4.82 3.52 -1.26 -3.62 118.95 119.67 2yuv s ARG 27 Ca 0.54 -0.49 -0.03 0.00 -0.13 0.00 0.00 55.73 55.62 2yuv s ARG 27 Cb -0.10 -1.73 0.07 0.00 -1.56 0.00 0.00 34.95 31.62 2yuv s ARG 27 CO 0.36 -0.06 0.06 -0.06 -0.81 0.00 0.00 175.30 174.80 2yuv s PHE 28 N 0.97 0.81 -0.04 5.12 0.08 0.25 -4.98 117.98 120.19 2yuv s PHE 28 Ca -0.08 -0.81 0.05 0.00 0.12 0.00 0.00 56.93 56.21 2yuv s PHE 28 Cb -0.15 -1.00 -0.01 0.00 -0.57 0.00 0.00 43.02 41.30 2yuv s PHE 28 CO -0.01 -0.63 -0.17 0.54 -0.10 0.00 0.00 175.22 174.84 2yuv s VAL 29 N 1.93 1.44 -0.03 -0.44 0.11 -1.26 0.18 120.40 122.32 2yuv s VAL 29 Ca 0.02 -0.73 0.04 0.00 -2.93 0.00 0.00 61.98 58.38 2yuv s VAL 29 Cb -0.17 -1.23 -0.01 0.00 -1.53 0.00 0.00 36.38 33.45 2yuv s VAL 29 CO -0.13 0.41 -0.16 0.68 -3.33 0.00 0.00 175.10 172.57 2yuv s VAL 30 N -0.05 1.32 -0.12 2.04 -7.23 -0.52 -4.63 120.40 111.22 2yuv s VAL 30 Ca -0.02 -0.68 -0.05 0.00 -1.81 0.00 0.00 61.98 59.42 2yuv s VAL 30 Cb -0.11 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 2yuv s VAL 30 CO 0.02 0.38 0.09 -0.70 -0.31 0.00 0.00 175.10 174.57 2yuv s GLU 31 N -0.11 3.35 -0.08 4.82 2.56 -0.99 -2.00 118.70 126.25 2yuv s GLU 31 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.97 54.75 2yuv s GLU 31 Cb -0.09 -3.07 -0.02 0.00 2.00 0.00 0.00 34.13 32.95 2yuv s GLU 31 CO 0.01 0.70 -0.15 -0.51 -0.56 0.00 0.00 175.26 174.74 2yuv s LEU 32 N -0.82 2.63 0.58 2.70 1.43 -1.17 -0.49 118.68 123.53 2yuv s LEU 32 Ca 0.13 -0.29 0.32 0.00 -1.03 0.00 0.00 54.13 53.26 2yuv s LEU 32 Cb -0.12 -1.55 1.80 0.00 0.03 0.00 0.00 46.19 46.36 2yuv s LEU 32 CO 0.03 0.26 2.21 0.00 0.23 0.00 0.00 176.35 179.08 2yuv h ALA 33 N 5.99 1.32 -2.28 4.21 0.00 -1.60 -3.43 119.26 123.47 2yuv h ALA 33 Ca -0.36 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2yuv h ALA 33 Cb 1.18 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.75 2yuv h ALA 33 CO 0.52 0.05 -0.01 -0.51 0.00 0.00 0.00 179.25 179.30 2yuv s ASP 34 N -5.94 -0.59 0.34 0.00 1.01 -1.26 -5.03 116.67 105.20 2yuv s ASP 34 Ca -0.04 1.03 0.26 0.00 0.71 0.00 0.00 52.55 54.52 2yuv s ASP 34 Cb 0.14 1.04 1.10 0.00 1.01 0.00 0.00 42.92 46.21 2yuv s ASP 34 CO 0.53 -0.28 1.79 1.55 0.21 0.00 0.00 175.17 178.97 2yuv h PRO 35 N 4.77 0.00 -0.62 8.23 0.13 -1.96 -3.05 132.00 139.50 2yuv h PRO 35 Ca -0.28 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.93 2yuv h PRO 35 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2yuv h PRO 35 CO 0.19 0.00 0.41 0.87 -0.23 0.00 0.00 178.00 179.25 2yuv h LYS 36 N 0.00 0.52 -7.16 0.86 1.57 -1.98 -3.42 116.57 106.95 2yuv h LYS 36 Ca 0.00 -0.03 -0.47 0.00 -1.87 0.00 0.00 60.65 58.28 2yuv h LYS 36 Cb 0.40 -0.12 0.02 0.00 0.08 0.00 0.00 32.23 32.61 2yuv h LYS 36 CO 0.00 0.34 0.37 -0.51 -0.57 0.00 0.00 179.45 179.08 2yuv s LEU 37 N -9.48 3.66 0.03 2.94 1.43 -1.15 -5.07 118.68 111.05 2yuv s LEU 37 Ca -0.08 1.68 0.01 0.00 -1.03 0.00 0.00 54.13 54.70 2yuv s LEU 37 Cb 0.19 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.85 2yuv s LEU 37 CO 0.75 -0.70 0.06 -0.70 0.23 0.00 0.00 176.35 176.00 2yuv s GLU 38 N -3.86 2.93 0.05 1.70 2.56 -1.26 -4.96 118.70 115.86 2yuv s GLU 38 Ca 0.61 -0.59 0.03 0.00 0.00 0.00 0.00 54.97 55.02 2yuv s GLU 38 Cb -0.12 -2.76 -0.04 0.00 2.00 0.00 0.00 34.13 33.21 2yuv s GLU 38 CO 0.29 0.61 0.04 0.14 -0.56 0.00 0.00 175.26 175.78 2yuv s VAL 39 N -1.24 4.31 -0.12 3.70 -7.23 -1.26 -3.95 120.40 114.60 2yuv s VAL 39 Ca 0.24 -0.75 -0.05 0.00 -1.81 0.00 0.00 61.98 59.61 2yuv s VAL 39 Cb -0.12 -3.02 0.06 0.00 0.56 0.00 0.00 36.38 33.86 2yuv s VAL 39 CO 0.16 0.21 0.27 -0.54 -0.31 0.00 0.00 175.10 174.89 2yuv s LYS 40 N -2.09 0.18 0.02 4.82 1.02 -0.96 -4.98 119.74 117.76 2yuv s LYS 40 Ca 0.25 0.68 -0.08 0.00 0.02 0.00 0.00 55.97 56.84 2yuv s LYS 40 Cb -0.12 -0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 37.09 2yuv s LYS 40 CO 0.17 -0.24 0.31 -1.58 -0.92 0.00 0.00 175.35 173.10 2yuv s TRP 41 N 1.97 3.60 -0.00 3.18 0.52 -1.26 -2.09 118.94 124.85 2yuv s TRP 41 Ca -0.03 0.67 -0.03 0.00 0.02 0.00 0.00 56.10 56.73 2yuv s TRP 41 Cb -0.11 -2.06 -0.00 0.00 -1.15 0.00 0.00 33.47 30.14 2yuv s TRP 41 CO -0.09 0.60 0.07 0.71 0.02 0.00 0.00 176.95 178.26 2yuv s TYR 42 N -1.29 0.06 -0.29 -1.98 2.02 -1.00 -2.60 117.35 112.28 2yuv s TYR 42 Ca 0.28 -0.12 -0.00 0.00 -0.37 0.00 0.00 57.07 56.85 2yuv s TYR 42 Cb -0.14 -0.06 0.09 0.00 -0.40 0.00 0.00 41.96 41.45 2yuv s TYR 42 CO 0.16 -0.17 0.07 0.21 -1.57 0.00 0.00 175.55 174.24 2yuv s LYS 43 N -0.88 0.91 -0.70 -0.62 2.20 0.46 -2.50 119.74 118.60 2yuv s LYS 43 Ca -0.10 -1.08 -0.04 0.00 -0.36 0.00 0.00 55.97 54.39 2yuv s LYS 43 Cb -0.06 -2.22 0.00 0.00 -1.51 0.00 0.00 37.83 34.04 2yuv s LYS 43 CO 0.00 -0.89 0.61 -1.71 -0.36 0.00 0.00 175.35 173.00 2yuv n ASN 44 N 4.78 -3.88 -1.67 1.43 5.15 -0.40 -3.23 115.26 117.45 2yuv n ASN 44 Ca -0.03 -0.29 -0.12 0.00 -0.60 0.00 0.00 54.58 53.54 2yuv n ASN 44 Cb 0.43 -2.90 0.02 0.00 -0.53 0.00 0.00 39.78 36.80 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 -1.26 0.06 2.93 8.20 0.00 -1.26 -5.03 105.19 108.82 2yuv n GLY 45 Ca -0.03 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 2yuv n GLY 45 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yuv s GLN 46 N -5.11 0.08 0.18 1.61 0.74 -1.20 -5.13 119.66 110.82 2yuv s GLN 46 Ca 0.15 0.19 -0.31 0.00 0.05 0.00 0.00 55.36 55.44 2yuv s GLN 46 Cb -0.07 -0.05 -0.09 0.00 1.10 0.00 0.00 33.01 33.90 2yuv s GLN 46 CO 0.19 -0.07 1.44 -2.00 -0.55 0.00 0.00 175.29 174.30 2yuv s GLU 47 N 0.45 4.29 0.11 1.67 2.12 -1.26 -0.41 118.70 125.67 2yuv s GLU 47 Ca -0.03 2.21 -0.21 0.00 0.36 0.00 0.00 54.97 57.30 2yuv s GLU 47 Cb -0.05 -3.18 -0.07 0.00 0.26 0.00 0.00 34.13 31.09 2yuv s GLU 47 CO -0.02 -0.45 0.64 0.42 -0.54 0.00 0.00 175.26 175.32 2yuv s ILE 48 N 0.66 4.61 -0.03 -3.70 1.01 -1.07 -4.87 121.20 117.80 2yuv s ILE 48 Ca 0.63 1.38 0.02 0.00 0.00 0.00 0.00 60.65 62.68 2yuv s ILE 48 Cb -0.40 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 2yuv s ILE 48 CO 0.35 0.52 -0.06 -0.13 0.00 0.00 0.00 174.94 175.63 2yuv s ARG 49 N -1.18 2.68 -0.14 2.79 3.00 -1.26 -4.91 118.95 119.93 2yuv s ARG 49 Ca 0.32 -0.62 -0.29 0.00 0.00 0.00 0.00 55.73 55.14 2yuv s ARG 49 Cb -0.21 -2.57 -0.04 0.00 0.00 0.00 0.00 34.95 32.14 2yuv s ARG 49 CO 0.22 0.64 1.56 -1.25 0.00 0.00 0.00 175.30 176.46 2yuv s PRO 50 N -1.11 4.04 0.35 3.54 0.04 -1.26 -4.70 135.00 135.89 2yuv s PRO 50 Ca 0.15 1.87 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 2yuv s PRO 50 Cb -0.11 -3.96 0.01 0.00 0.04 0.00 0.00 34.50 30.48 2yuv s PRO 50 CO 0.05 -0.99 0.51 -1.12 0.04 0.00 0.00 177.00 175.49 2yuv s SER 51 N 3.41 0.83 0.49 6.66 0.01 -1.21 -4.96 113.70 118.93 2yuv s SER 51 Ca 0.69 -1.45 0.25 0.00 1.31 0.00 0.00 55.95 56.74 2yuv s SER 51 Cb -0.28 0.69 1.36 0.00 0.21 0.00 0.00 66.02 68.01 2yuv s SER 51 CO 0.26 -1.35 1.73 0.00 0.41 0.00 0.00 173.24 174.30 2yuv h THR 52 N 2.09 0.00 0.06 1.44 1.03 -2.01 0.12 112.91 115.63 2yuv h THR 52 Ca -0.29 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 65.79 2yuv h THR 52 Cb 1.24 0.56 -0.04 0.00 -1.07 0.00 0.00 68.15 68.84 2yuv h THR 52 CO 0.39 0.00 -1.84 1.17 -0.01 0.00 0.00 175.52 175.23 2yuv n LYS 53 N -2.52 0.69 -3.83 0.00 4.81 -1.26 -4.83 118.16 111.22 2yuv n LYS 53 Ca -0.02 0.28 -0.36 0.00 -0.87 0.00 0.00 58.31 57.34 2yuv n LYS 53 Cb 0.24 -1.76 -0.12 0.00 0.02 0.00 0.00 35.03 33.42 2yuv n LYS 53 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2yuv s TYR 54 N -2.58 3.11 -0.41 5.64 2.02 0.40 -1.97 117.35 123.57 2yuv s TYR 54 Ca -0.12 -0.32 -0.10 0.00 -0.37 0.00 0.00 57.07 56.15 2yuv s TYR 54 Cb 0.07 -2.20 0.06 0.00 -0.40 0.00 0.00 41.96 39.49 2yuv s TYR 54 CO 0.80 -0.26 0.24 0.42 -1.57 0.00 0.00 175.55 175.18 2yuv s ILE 55 N 1.37 4.33 -0.27 2.71 -1.09 -0.73 -3.29 121.20 124.23 2yuv s ILE 55 Ca 0.05 -1.24 -0.12 0.00 -2.23 0.00 0.00 60.65 57.12 2yuv s ILE 55 Cb -0.15 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.11 2yuv s ILE 55 CO 0.04 -0.42 0.23 -0.36 -1.23 0.00 0.00 174.94 173.19 2yuv s PHE 56 N 1.46 3.25 0.26 3.97 0.40 -1.26 -2.37 117.98 123.70 2yuv s PHE 56 Ca 0.02 0.22 0.07 0.00 -0.60 0.00 0.00 56.93 56.65 2yuv s PHE 56 Cb -0.22 -2.40 -0.05 0.00 0.51 0.00 0.00 43.02 40.85 2yuv s PHE 56 CO 0.03 -0.12 -0.09 -1.21 0.70 0.00 0.00 175.22 174.53 2yuv s GLU 57 N 1.66 1.52 -0.06 0.44 2.02 -1.03 -5.00 118.70 118.26 2yuv s GLU 57 Ca 0.09 -1.74 -0.00 0.00 0.02 0.00 0.00 54.97 53.34 2yuv s GLU 57 Cb -0.15 -1.22 0.03 0.00 0.10 0.00 0.00 34.13 32.88 2yuv s GLU 57 CO 0.09 0.10 -0.01 -1.58 0.02 0.00 0.00 175.26 173.88 2yuv s HIS 58 N -2.94 0.62 -0.47 1.61 5.65 -1.26 -2.43 115.29 116.07 2yuv s HIS 58 Ca 0.28 -0.14 0.03 0.00 0.25 0.00 0.00 55.06 55.47 2yuv s HIS 58 Cb 0.02 -0.69 0.15 0.00 -1.18 0.00 0.00 32.58 30.88 2yuv s HIS 58 CO 0.11 -0.25 0.30 0.21 -0.65 0.00 0.00 174.74 174.46 2yuv s LYS 59 N 1.48 1.33 0.00 2.88 2.20 -0.29 -4.96 119.74 122.38 2yuv s LYS 59 Ca -0.03 -2.18 0.00 0.00 -0.36 0.00 0.00 55.97 53.40 2yuv s LYS 59 Cb -0.13 -2.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 2yuv s LYS 59 CO -0.03 -1.23 0.00 0.41 -0.36 0.00 0.00 175.35 174.14 2yuv n GLY 60 N 3.19 0.00 3.66 5.54 0.00 -1.26 -2.70 105.19 113.61 2yuv n GLY 60 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -6.18 0.34 -0.25 0.00 0.74 -1.10 -3.07 119.66 110.14 2yuv s GLN 62 Ca 0.44 0.72 0.03 0.00 0.05 0.00 0.00 55.36 56.60 2yuv s GLN 62 Cb -0.20 -0.05 0.06 0.00 1.10 0.00 0.00 33.01 33.91 2yuv s GLN 62 CO 0.76 -0.16 -0.12 1.03 -0.55 0.00 0.00 175.29 176.26 2yuv s ARG 63 N 1.37 2.29 0.16 1.67 1.81 -0.85 -1.14 118.95 124.27 2yuv s ARG 63 Ca -0.09 -1.28 0.03 0.00 -1.72 0.00 0.00 55.73 52.67 2yuv s ARG 63 Cb -0.09 -2.84 -0.04 0.00 -0.45 0.00 0.00 34.95 31.53 2yuv s ARG 63 CO -0.12 -0.53 0.26 0.42 -0.68 0.00 0.00 175.30 174.65 2yuv s ILE 64 N 1.13 5.12 -0.11 1.52 1.09 -1.02 -1.44 121.20 127.50 2yuv s ILE 64 Ca -0.07 -0.82 -0.05 0.00 -1.10 0.00 0.00 60.65 58.61 2yuv s ILE 64 Cb -0.19 -3.65 0.05 0.00 -1.06 0.00 0.00 42.46 37.61 2yuv s ILE 64 CO -0.06 -0.12 0.25 -0.22 -0.10 0.00 0.00 174.94 174.69 2yuv s LEU 65 N -3.29 0.29 -0.16 2.97 1.98 0.47 -2.46 118.68 118.48 2yuv s LEU 65 Ca 0.34 0.54 0.00 0.00 -2.89 0.00 0.00 54.13 52.12 2yuv s LEU 65 Cb -0.11 0.73 0.02 0.00 0.66 0.00 0.00 46.19 47.50 2yuv s LEU 65 CO 0.27 -0.18 -0.14 -0.36 -1.89 0.00 0.00 176.35 174.05 2yuv s PHE 66 N 1.46 2.26 -0.29 5.38 0.08 -1.00 -0.58 117.98 125.29 2yuv s PHE 66 Ca -0.08 -1.31 -0.10 0.00 0.12 0.00 0.00 56.93 55.57 2yuv s PHE 66 Cb -0.11 -1.63 -0.03 0.00 -0.57 0.00 0.00 43.02 40.68 2yuv s PHE 66 CO -0.09 -0.69 0.17 0.42 -0.10 0.00 0.00 175.22 174.93 2yuv s ILE 67 N 1.46 4.98 0.51 0.64 1.01 -1.24 -1.77 121.20 126.79 2yuv s ILE 67 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.64 2yuv s ILE 67 Cb -0.13 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 38.93 2yuv s ILE 67 CO -0.11 0.20 0.74 0.20 0.00 0.00 0.00 174.94 175.98 2yuv s ASN 68 N 1.70 5.54 -1.26 3.58 0.01 -0.83 -2.56 114.94 121.12 2yuv s ASN 68 Ca 0.06 0.19 -0.08 0.00 -0.71 0.00 0.00 52.86 52.33 2yuv s ASN 68 Cb -0.16 -1.25 0.01 0.00 0.41 0.00 0.00 41.25 40.26 2yuv s ASN 68 CO 0.09 -0.95 1.10 0.59 -1.51 0.00 0.00 177.10 176.42 2yuv n ASN 69 N -2.26 -5.70 -4.55 -1.22 3.02 -0.83 -4.87 115.26 98.85 2yuv n ASN 69 Ca 0.05 -0.51 -0.38 0.00 -0.03 0.00 0.00 54.58 53.70 2yuv n ASN 69 Cb 0.59 -4.77 -0.03 0.00 -0.61 0.00 0.00 39.78 34.96 2yuv n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yuv s GLN 71 N 7.53 3.23 0.37 0.00 2.00 -1.26 0.23 119.66 131.77 2yuv s GLN 71 Ca 0.83 -0.61 0.18 0.00 -2.00 0.00 0.00 55.36 53.76 2yuv s GLN 71 Cb -0.16 -2.89 1.15 0.00 0.80 0.00 0.00 33.01 31.92 2yuv s GLN 71 CO 0.24 0.55 1.68 1.98 -0.50 0.00 0.00 175.29 179.25 2yuv h MET 72 N 2.73 0.30 -0.35 1.67 4.05 -1.83 0.43 114.93 121.93 2yuv h MET 72 Ca -0.47 -0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 58.81 2yuv h MET 72 Cb 1.18 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.90 2yuv h MET 72 CO 0.70 0.20 -0.27 1.79 0.23 0.00 0.00 176.91 179.55 2yuv h THR 73 N 0.31 1.29 -0.89 -0.77 1.35 -1.94 -3.10 112.91 109.15 2yuv h THR 73 Ca 0.72 -1.43 0.17 0.00 -0.55 0.00 0.00 66.41 65.32 2yuv h THR 73 Cb 1.79 1.42 -0.10 0.00 -1.73 0.00 0.00 68.15 69.53 2yuv h THR 73 CO -0.49 0.47 0.47 0.44 -0.25 0.00 0.00 175.52 176.16 2yuv h ASP 74 N 0.60 0.54 0.00 5.36 5.19 -0.51 -3.41 116.42 124.20 2yuv h ASP 74 Ca 0.07 0.11 -0.32 0.00 -0.62 0.00 0.00 57.03 56.26 2yuv h ASP 74 Cb 0.84 0.02 -0.07 0.00 0.18 0.00 0.00 39.33 40.31 2yuv h ASP 74 CO 0.07 0.18 1.35 -0.67 -3.12 0.00 0.00 179.24 177.06 2yuv n ASP 75 N -4.89 -0.29 -4.15 6.45 2.03 -1.04 -4.82 116.55 109.84 2yuv n ASP 75 Ca 0.20 -0.08 -0.19 0.00 0.52 0.00 0.00 54.79 55.24 2yuv n ASP 75 Cb 0.52 -0.55 -0.10 0.00 -0.72 0.00 0.00 41.12 40.27 2yuv n ASP 75 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2yuv s SER 76 N 3.96 1.56 0.06 1.67 0.15 -1.26 -4.97 113.70 114.87 2yuv s SER 76 Ca 0.97 -1.49 -0.24 0.00 0.70 0.00 0.00 55.95 55.89 2yuv s SER 76 Cb -0.79 0.29 -0.06 0.00 -1.71 0.00 0.00 66.02 63.74 2yuv s SER 76 CO 0.38 -0.82 0.74 -1.83 1.20 0.00 0.00 173.24 172.91 2yuv s GLU 77 N -3.89 4.47 0.17 5.44 -1.05 -1.26 -3.47 118.70 119.11 2yuv s GLU 77 Ca 0.35 1.02 0.09 0.00 -0.15 0.00 0.00 54.97 56.29 2yuv s GLU 77 Cb 0.06 -3.33 -0.04 0.00 -0.44 0.00 0.00 34.13 30.37 2yuv s GLU 77 CO 0.16 0.37 -0.20 0.71 0.95 0.00 0.00 175.26 177.24 2yuv s TYR 78 N -0.34 1.98 -0.27 4.83 1.51 -0.72 -1.27 117.35 123.07 2yuv s TYR 78 Ca 0.37 -0.43 -0.20 0.00 -1.01 0.00 0.00 57.07 55.80 2yuv s TYR 78 Cb -0.21 -0.99 0.07 0.00 -0.11 0.00 0.00 41.96 40.73 2yuv s TYR 78 CO 0.23 0.38 0.68 1.52 -1.11 0.00 0.00 175.55 177.25 2yuv s TYR 79 N -1.85 -0.89 -0.04 2.71 1.13 -1.04 -0.58 117.35 116.78 2yuv s TYR 79 Ca 0.17 1.96 0.04 0.00 -1.41 0.00 0.00 57.07 57.83 2yuv s TYR 79 Cb -0.07 0.43 -0.03 0.00 -1.10 0.00 0.00 41.96 41.19 2yuv s TYR 79 CO 0.08 -0.44 -0.15 0.54 -2.51 0.00 0.00 175.55 173.07 2yuv s VAL 80 N 0.97 3.00 0.03 -3.49 0.11 -0.90 -2.37 120.40 117.75 2yuv s VAL 80 Ca -0.05 -0.78 0.07 0.00 -2.93 0.00 0.00 61.98 58.29 2yuv s VAL 80 Cb -0.05 -2.18 -0.03 0.00 -1.53 0.00 0.00 36.38 32.59 2yuv s VAL 80 CO -0.09 0.57 -0.17 0.42 -3.33 0.00 0.00 175.10 172.50 2yuv s THR 81 N -0.75 2.87 -0.28 5.04 -4.23 -0.89 -2.11 115.64 115.30 2yuv s THR 81 Ca 0.12 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 2yuv s THR 81 Cb -0.11 -2.21 0.17 0.00 1.34 0.00 0.00 72.50 71.70 2yuv s THR 81 CO 0.01 0.36 0.50 0.00 -0.54 0.00 0.00 174.62 174.95 2yuv s ALA 82 N -0.91 -1.77 0.00 3.99 0.00 -0.50 -2.26 121.76 120.31 2yuv s ALA 82 Ca 0.15 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2yuv s ALA 82 Cb -0.11 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.95 2yuv s ALA 82 CO 0.05 -1.45 0.00 0.41 0.00 0.00 0.00 175.76 174.77 2yuv n GLY 83 N 5.40 2.66 0.94 0.00 0.00 -1.25 -2.71 105.19 110.22 2yuv n GLY 83 Ca -0.01 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.83 2yuv n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yuv n ASP 84 N 9.21 3.94 -4.21 1.61 9.92 -1.26 -4.99 116.55 130.76 2yuv n ASP 84 Ca 0.00 -2.94 -0.12 0.00 -0.53 0.00 0.00 54.79 51.20 2yuv n ASP 84 Cb 0.00 -0.53 -0.10 0.00 -0.64 0.00 0.00 41.12 39.85 2yuv n ASP 84 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2yuv s GLU 85 N -2.69 1.00 -0.10 -1.24 0.41 -1.10 -5.03 118.70 109.94 2yuv s GLU 85 Ca 0.42 -1.45 -0.30 0.00 -0.41 0.00 0.00 54.97 53.23 2yuv s GLU 85 Cb 0.33 -0.27 0.11 0.00 -1.78 0.00 0.00 34.13 32.51 2yuv s GLU 85 CO 0.10 -0.07 0.88 -1.59 -0.49 0.00 0.00 175.26 174.09 2yuv s LYS 86 N -3.87 0.77 0.24 1.61 -2.85 -1.26 -1.41 119.74 112.98 2yuv s LYS 86 Ca 0.19 0.12 0.03 0.00 -1.00 0.00 0.00 55.97 55.30 2yuv s LYS 86 Cb 0.05 0.36 -0.05 0.00 -2.06 0.00 0.00 37.83 36.13 2yuv s LYS 86 CO 0.00 -0.26 0.02 0.00 0.10 0.00 0.00 175.35 175.22 2yuv s SER 88 N -3.32 0.64 0.04 0.00 1.04 -1.26 -2.12 113.70 108.72 2yuv s SER 88 Ca 0.31 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 2yuv s SER 88 Cb 0.07 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 2yuv s SER 88 CO 0.10 -0.14 -0.03 0.28 0.98 0.00 0.00 173.24 174.43 2yuv s THR 89 N -1.00 0.20 -0.07 2.02 -1.32 0.25 -4.83 115.64 110.89 2yuv s THR 89 Ca -0.07 -1.59 0.02 0.00 -1.21 0.00 0.00 61.69 58.84 2yuv s THR 89 Cb -0.07 -1.21 -0.02 0.00 -1.51 0.00 0.00 72.50 69.68 2yuv s THR 89 CO 0.00 -0.87 -0.13 -1.61 -2.21 0.00 0.00 174.62 169.80 2yuv s GLU 90 N -3.31 2.74 -0.20 7.08 0.41 -1.26 -1.76 118.70 122.40 2yuv s GLU 90 Ca 0.01 -0.67 -0.07 0.00 -0.41 0.00 0.00 54.97 53.84 2yuv s GLU 90 Cb 0.03 -2.47 -0.04 0.00 -1.78 0.00 0.00 34.13 29.88 2yuv s GLU 90 CO -0.08 0.54 0.05 -1.17 -0.49 0.00 0.00 175.26 174.12 2yuv s LEU 91 N -0.51 3.64 -0.43 1.80 1.98 -1.23 -0.91 118.68 123.02 2yuv s LEU 91 Ca 0.07 -0.03 0.02 0.00 -2.89 0.00 0.00 54.13 51.30 2yuv s LEU 91 Cb -0.12 -1.93 0.12 0.00 0.66 0.00 0.00 46.19 44.92 2yuv s LEU 91 CO 0.02 0.11 0.18 -0.36 -1.89 0.00 0.00 176.35 174.40 2yuv s PHE 92 N 0.75 3.54 -0.37 5.38 0.08 -0.81 -4.34 117.98 122.21 2yuv s PHE 92 Ca 0.03 -2.92 -0.14 0.00 0.12 0.00 0.00 56.93 54.02 2yuv s PHE 92 Cb -0.14 -2.98 -0.00 0.00 -0.57 0.00 0.00 43.02 39.33 2yuv s PHE 92 CO 0.02 -0.89 0.31 0.54 -0.10 0.00 0.00 175.22 175.10 2yuv s VAL 93 N 0.51 5.23 0.68 -0.44 0.11 -1.26 -2.41 120.40 122.81 2yuv s VAL 93 Ca 0.13 -0.29 -0.16 0.00 -2.93 0.00 0.00 61.98 58.73 2yuv s VAL 93 Cb -0.22 -3.84 0.01 0.00 -1.53 0.00 0.00 36.38 30.81 2yuv s VAL 93 CO -0.05 -0.16 1.18 -0.13 -3.33 0.00 0.00 175.10 172.61 2yuv s ARG 94 N 1.83 2.53 -0.37 1.54 0.52 -0.87 -4.45 118.95 119.68 2yuv s ARG 94 Ca 0.08 1.66 -0.04 0.00 -0.52 0.00 0.00 55.73 56.91 2yuv s ARG 94 Cb -0.18 -1.89 0.08 0.00 0.52 0.00 0.00 34.95 33.48 2yuv s ARG 94 CO 0.11 -1.51 0.15 0.45 0.02 0.00 0.00 175.30 174.52 2yuv s SER 95 N -2.09 5.25 0.00 0.23 0.15 -1.26 -2.32 113.70 113.66 2yuv s SER 95 Ca 0.73 -1.62 0.00 0.00 0.70 0.00 0.00 55.95 55.76 2yuv s SER 95 Cb -0.27 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 2yuv s SER 95 CO 0.41 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2yuv n GLY 96 N 4.69 -2.04 3.55 9.45 0.00 -1.26 -4.49 105.19 115.09 2yuv n GLY 96 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 2yuv n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuv s PRO 97 N 0.00 2.61 -0.24 1.61 0.04 -1.26 -4.78 135.00 132.97 2yuv s PRO 97 Ca 0.00 0.38 -0.17 0.00 0.04 0.00 0.00 61.00 61.25 2yuv s PRO 97 Cb 0.00 -4.56 -0.14 0.00 0.04 0.00 0.00 34.50 29.84 2yuv s PRO 97 CO 0.00 -2.90 -0.13 0.45 0.04 0.00 0.00 177.00 174.47 2yuv n SER 98 N 13.07 1.91 -4.65 6.66 2.88 -1.26 -4.89 113.62 127.33 2yuv n SER 98 Ca 0.25 0.38 -0.42 0.00 -1.33 0.00 0.00 58.87 57.75 2yuv n SER 98 Cb 0.51 -0.88 -0.03 0.00 -0.75 0.00 0.00 64.21 63.06 2yuv n SER 98 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yuv s SER 99 N -7.13 6.43 0.00 -3.46 0.15 -1.26 -5.26 113.70 103.17 2yuv s SER 99 Ca -0.34 2.31 0.28 0.00 0.70 0.00 0.00 55.95 58.91 2yuv s SER 99 Cb 0.11 -2.53 1.15 0.00 -1.71 0.00 0.00 66.02 63.04 2yuv s SER 99 CO 0.52 -1.11 1.80 0.61 1.20 0.00 0.00 173.24 176.26