#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 0.08 -0.37 1.61 0.01 -1.26 -5.09 113.70 108.68 2yuv s SER 2 Ca 0.00 -1.17 -0.29 0.00 1.31 0.00 0.00 55.95 55.81 2yuv s SER 2 Cb 0.00 0.50 -0.08 0.00 0.21 0.00 0.00 66.02 66.65 2yuv s SER 2 CO 0.00 -1.01 2.31 -1.54 0.41 0.00 0.00 173.24 173.41 2yuv n SER 3 N -0.39 2.62 0.00 2.44 3.41 -1.26 -4.46 113.62 115.99 2yuv n SER 3 Ca 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2yuv n SER 3 Cb 0.64 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 2yuv n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yuv n GLY 4 N 6.02 0.51 3.68 5.00 0.00 -1.26 -5.13 105.19 114.02 2yuv n GLY 4 Ca 0.36 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 2yuv n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuv s SER 5 N -4.00 0.11 -0.25 1.61 0.01 -1.26 -5.02 113.70 104.90 2yuv s SER 5 Ca 0.00 -1.03 -0.15 0.00 1.31 0.00 0.00 55.95 56.07 2yuv s SER 5 Cb 0.00 0.70 -0.10 0.00 0.21 0.00 0.00 66.02 66.83 2yuv s SER 5 CO 0.00 -1.36 -0.35 -0.24 0.41 0.00 0.00 173.24 171.69 2yuv n SER 6 N -0.88 1.95 0.00 2.44 2.88 -1.26 -5.04 113.62 113.71 2yuv n SER 6 Ca -0.03 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 2yuv n SER 6 Cb 0.61 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 2yuv n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuv n GLY 7 N 1.32 2.02 3.57 0.46 0.00 -1.26 -5.01 105.19 106.29 2yuv n GLY 7 Ca -0.41 0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 2yuv n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yuv n ALA 8 N -3.00 -1.21 0.30 4.61 0.00 -1.26 -4.84 120.51 115.10 2yuv n ALA 8 Ca 0.00 0.30 0.15 0.00 0.00 0.00 0.00 53.44 53.89 2yuv n ALA 8 Cb 0.00 -4.70 0.92 0.00 0.00 0.00 0.00 19.45 15.68 2yuv n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuv h ALA 9 N 1.00 1.50 -2.96 0.00 0.00 -1.95 -3.38 119.26 113.46 2yuv h ALA 9 Ca -0.56 -0.00 -0.70 0.00 0.00 0.00 0.00 54.91 53.65 2yuv h ALA 9 Cb 1.37 -0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.89 2yuv h ALA 9 CO 0.60 0.01 -0.56 -0.06 0.00 0.00 0.00 179.25 179.23 2yuv s PHE 10 N -4.60 3.24 -0.00 0.00 0.08 -1.26 -0.75 117.98 114.68 2yuv s PHE 10 Ca -0.05 -1.16 0.13 0.00 0.12 0.00 0.00 56.93 55.98 2yuv s PHE 10 Cb 0.15 -2.36 0.11 0.00 -0.57 0.00 0.00 43.02 40.34 2yuv s PHE 10 CO 0.54 -0.68 1.46 0.00 -0.10 0.00 0.00 175.22 176.44 2yuv h ALA 11 N 8.34 0.65 -2.41 5.36 0.00 -1.72 -3.43 119.26 126.05 2yuv h ALA 11 Ca -0.25 -0.57 -0.30 0.00 0.00 0.00 0.00 54.91 53.79 2yuv h ALA 11 Cb 1.10 -0.10 -0.35 0.00 0.00 0.00 0.00 17.79 18.44 2yuv h ALA 11 CO 0.64 0.78 -0.61 0.21 0.00 0.00 0.00 179.25 180.27 2yuv s LYS 12 N -3.03 0.23 0.87 0.00 2.20 -1.25 -4.96 119.74 113.79 2yuv s LYS 12 Ca 0.02 0.19 -0.12 0.00 -0.36 0.00 0.00 55.97 55.70 2yuv s LYS 12 Cb 0.09 -1.06 0.15 0.00 -1.51 0.00 0.00 37.83 35.50 2yuv s LYS 12 CO 0.76 -0.70 1.22 0.96 -0.36 0.00 0.00 175.35 177.22 2yuv s ILE 13 N 2.35 2.05 0.42 5.43 -4.36 -1.26 -2.12 121.20 123.70 2yuv s ILE 13 Ca 0.08 -0.10 -0.10 0.00 -0.26 0.00 0.00 60.65 60.26 2yuv s ILE 13 Cb -0.16 -2.94 -0.06 0.00 1.25 0.00 0.00 42.46 40.55 2yuv s ILE 13 CO -0.15 0.00 0.79 -0.76 0.24 0.00 0.00 174.94 175.05 2yuv s LEU 14 N -5.66 3.80 0.73 0.37 1.02 -1.26 -4.89 118.68 112.78 2yuv s LEU 14 Ca 0.69 1.15 -0.16 0.00 0.02 0.00 0.00 54.13 55.83 2yuv s LEU 14 Cb -0.06 -4.04 -0.02 0.00 0.02 0.00 0.00 46.19 42.09 2yuv s LEU 14 CO 0.50 -0.43 0.68 0.47 0.02 0.00 0.00 176.35 177.60 2yuv n ASP 15 N -1.40 -0.63 0.00 2.29 8.00 -1.26 -4.85 116.55 118.70 2yuv n ASP 15 Ca 0.03 0.61 0.07 0.00 0.71 0.00 0.00 54.79 56.20 2yuv n ASP 15 Cb 0.54 -1.28 0.34 0.00 -0.02 0.00 0.00 41.12 40.70 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 -1.20 0.11 -3.60 -0.24 -0.04 -1.26 -4.59 135.00 124.19 2yuv n PRO 16 Ca 0.11 0.20 0.01 0.00 -0.04 0.00 0.00 63.50 63.77 2yuv n PRO 16 Cb 0.50 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.77 -2.58 0.27 0.55 0.00 -1.26 -4.08 121.76 111.89 2yuv s ALA 17 Ca 0.11 2.05 0.08 0.00 0.00 0.00 0.00 51.96 54.19 2yuv s ALA 17 Cb 0.10 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 2yuv s ALA 17 CO 0.24 -0.41 0.17 0.71 0.00 0.00 0.00 175.76 176.48 2yuv s TYR 18 N 1.29 2.98 -0.08 0.00 1.51 -0.20 -4.98 117.35 117.87 2yuv s TYR 18 Ca -0.08 -0.17 -0.03 0.00 -1.01 0.00 0.00 57.07 55.78 2yuv s TYR 18 Cb -0.03 -1.44 0.04 0.00 -0.11 0.00 0.00 41.96 40.43 2yuv s TYR 18 CO -0.12 0.48 0.17 -0.65 -1.11 0.00 0.00 175.55 174.31 2yuv s GLN 19 N -3.84 0.11 0.15 -0.62 -0.21 -1.26 -1.50 119.66 112.49 2yuv s GLN 19 Ca 0.34 0.43 -0.05 0.00 0.02 0.00 0.00 55.36 56.10 2yuv s GLN 19 Cb -0.07 -0.18 -0.02 0.00 1.00 0.00 0.00 33.01 33.74 2yuv s GLN 19 CO 0.24 -0.19 0.18 0.54 -2.12 0.00 0.00 175.29 173.94 2yuv s VAL 20 N 1.36 0.08 0.45 1.09 0.11 -0.97 -5.00 120.40 117.53 2yuv s VAL 20 Ca -0.07 -1.62 -0.11 0.00 -2.93 0.00 0.00 61.98 57.24 2yuv s VAL 20 Cb -0.11 -1.92 -0.06 0.00 -1.53 0.00 0.00 36.38 32.76 2yuv s VAL 20 CO -0.06 -0.39 0.84 -1.81 -3.33 0.00 0.00 175.10 170.34 2yuv s ASP 21 N -3.00 6.48 0.76 3.54 1.11 -1.26 -1.14 116.67 123.16 2yuv s ASP 21 Ca 0.20 1.22 -0.15 0.00 0.18 0.00 0.00 52.55 53.99 2yuv s ASP 21 Cb 0.05 -2.36 0.01 0.00 1.07 0.00 0.00 42.92 41.69 2yuv s ASP 21 CO 0.00 -0.50 0.79 1.17 1.18 0.00 0.00 175.17 177.81 2yuv n LYS 22 N -1.60 0.30 -2.31 8.23 0.00 -0.07 -1.78 118.16 120.93 2yuv n LYS 22 Ca 0.03 0.15 -0.01 0.00 0.00 0.00 0.00 58.31 58.48 2yuv n LYS 22 Cb 0.54 -2.08 -0.00 0.00 0.00 0.00 0.00 35.03 33.49 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 1.25 -0.42 0.00 3.14 0.00 0.10 -4.84 105.19 104.42 2yuv n GLY 23 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.47 2.26 3.02 -0.02 0.00 -0.73 -4.46 105.19 104.78 2yuv n GLY 24 Ca -0.02 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 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 4.28 0.18 0.50 1.61 3.52 -1.26 -1.60 118.95 126.17 2yuv s ARG 25 Ca 0.00 0.52 0.02 0.00 -0.13 0.00 0.00 55.73 56.15 2yuv s ARG 25 Cb 0.00 -0.13 0.02 0.00 -1.56 0.00 0.00 34.95 33.28 2yuv s ARG 25 CO 0.00 -0.18 0.71 0.14 -0.81 0.00 0.00 175.30 175.16 2yuv s VAL 26 N 1.38 3.08 -0.08 7.11 -7.23 -1.08 -4.91 120.40 118.67 2yuv s VAL 26 Ca -0.08 -0.69 -0.01 0.00 -1.81 0.00 0.00 61.98 59.39 2yuv s VAL 26 Cb -0.11 -3.13 0.03 0.00 0.56 0.00 0.00 36.38 33.73 2yuv s VAL 26 CO -0.08 -0.08 -0.03 -0.60 -0.31 0.00 0.00 175.10 174.00 2yuv s ARG 27 N -4.63 0.93 -0.27 4.82 3.52 -1.26 -3.59 118.95 118.48 2yuv s ARG 27 Ca 0.54 -0.04 0.02 0.00 -0.13 0.00 0.00 55.73 56.13 2yuv s ARG 27 Cb -0.10 -1.14 0.07 0.00 -1.56 0.00 0.00 34.95 32.22 2yuv s ARG 27 CO 0.37 -0.25 -0.06 -0.06 -0.81 0.00 0.00 175.30 174.49 2yuv s PHE 28 N 1.71 2.96 -0.07 5.12 0.08 -0.65 -5.00 117.98 122.13 2yuv s PHE 28 Ca 0.02 -2.20 -0.01 0.00 0.12 0.00 0.00 56.93 54.86 2yuv s PHE 28 Cb -0.13 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.34 2yuv s PHE 28 CO -0.05 -0.85 -0.02 0.08 -0.10 0.00 0.00 175.22 174.28 2yuv s VAL 29 N 1.20 4.12 -0.12 -0.44 1.01 -1.26 -1.18 120.40 123.73 2yuv s VAL 29 Ca -0.04 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 2yuv s VAL 29 Cb -0.19 -2.73 0.04 0.00 0.00 0.00 0.00 36.38 33.49 2yuv s VAL 29 CO -0.07 0.58 0.30 0.68 0.00 0.00 0.00 175.10 176.59 2yuv s VAL 30 N -0.89 -0.01 0.29 2.92 -7.23 -1.07 -4.39 120.40 110.03 2yuv s VAL 30 Ca 0.14 0.04 0.06 0.00 -1.81 0.00 0.00 61.98 60.42 2yuv s VAL 30 Cb -0.11 -0.43 -0.03 0.00 0.56 0.00 0.00 36.38 36.37 2yuv s VAL 30 CO 0.03 0.02 0.33 -0.70 -0.31 0.00 0.00 175.10 174.47 2yuv s GLU 31 N 0.55 3.06 -0.06 4.82 2.12 -0.90 -2.01 118.70 126.27 2yuv s GLU 31 Ca -0.03 -1.02 0.01 0.00 0.36 0.00 0.00 54.97 54.28 2yuv s GLU 31 Cb -0.05 -2.69 0.02 0.00 0.26 0.00 0.00 34.13 31.67 2yuv s GLU 31 CO -0.03 0.25 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.36 2yuv s LEU 32 N -4.00 1.35 0.66 2.70 1.43 -0.97 -3.17 118.68 116.68 2yuv s LEU 32 Ca 0.38 -0.20 0.27 0.00 -1.03 0.00 0.00 54.13 53.55 2yuv s LEU 32 Cb -0.08 -0.62 1.47 0.00 0.03 0.00 0.00 46.19 47.00 2yuv s LEU 32 CO 0.28 -0.05 1.83 0.00 0.23 0.00 0.00 176.35 178.65 2yuv h ALA 33 N 7.33 1.45 -2.10 4.21 0.00 -1.14 -3.41 119.26 125.60 2yuv h ALA 33 Ca -0.33 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2yuv h ALA 33 Cb 1.16 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.75 2yuv h ALA 33 CO 0.45 -0.42 0.09 -0.51 0.00 0.00 0.00 179.25 178.86 2yuv s ASP 34 N -4.34 -0.65 0.34 0.00 1.01 -1.26 -5.04 116.67 106.72 2yuv s ASP 34 Ca -0.03 1.03 0.13 0.00 0.71 0.00 0.00 52.55 54.39 2yuv s ASP 34 Cb 0.08 0.98 0.60 0.00 1.01 0.00 0.00 42.92 45.60 2yuv s ASP 34 CO 0.26 -0.39 1.74 1.55 0.21 0.00 0.00 175.17 178.55 2yuv h PRO 35 N 4.21 0.00 -0.08 8.23 0.13 -1.94 -2.89 132.00 139.67 2yuv h PRO 35 Ca -0.28 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.87 2yuv h PRO 35 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2yuv h PRO 35 CO 0.22 0.46 0.11 0.87 -0.23 0.00 0.00 178.00 179.42 2yuv h LYS 36 N 0.00 0.00 -6.82 0.86 1.57 -1.97 -3.42 116.57 106.79 2yuv h LYS 36 Ca -0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.27 2yuv h LYS 36 Cb 0.84 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.17 2yuv h LYS 36 CO 0.06 0.00 0.47 -0.51 -0.57 0.00 0.00 179.45 178.89 2yuv s LEU 37 N -7.33 4.51 0.52 2.94 1.43 -1.09 -5.04 118.68 114.63 2yuv s LEU 37 Ca -0.05 2.24 -0.03 0.00 -1.03 0.00 0.00 54.13 55.26 2yuv s LEU 37 Cb 0.14 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2yuv s LEU 37 CO 0.51 -0.17 0.79 -1.83 0.23 0.00 0.00 176.35 175.88 2yuv s GLU 38 N -1.54 3.00 0.01 1.70 -1.05 -1.26 -4.97 118.70 114.59 2yuv s GLU 38 Ca 0.46 -0.23 0.02 0.00 -0.15 0.00 0.00 54.97 55.07 2yuv s GLU 38 Cb -0.31 -2.41 -0.01 0.00 -0.44 0.00 0.00 34.13 30.96 2yuv s GLU 38 CO 0.40 -0.49 -0.05 0.14 0.95 0.00 0.00 175.26 176.20 2yuv s VAL 39 N -2.78 0.40 -0.09 1.83 -7.23 -1.26 -4.06 120.40 107.21 2yuv s VAL 39 Ca 0.51 -0.50 -0.04 0.00 -1.81 0.00 0.00 61.98 60.14 2yuv s VAL 39 Cb -0.10 -0.40 0.05 0.00 0.56 0.00 0.00 36.38 36.49 2yuv s VAL 39 CO 0.42 -0.08 0.19 -0.54 -0.31 0.00 0.00 175.10 174.78 2yuv s LYS 40 N -0.63 0.11 -0.11 4.82 -0.14 -1.09 -4.97 119.74 117.73 2yuv s LYS 40 Ca -0.03 0.53 -0.12 0.00 -1.36 0.00 0.00 55.97 54.99 2yuv s LYS 40 Cb -0.05 -0.17 -0.05 0.00 -1.68 0.00 0.00 37.83 35.89 2yuv s LYS 40 CO -0.00 -0.23 0.28 -1.58 -0.76 0.00 0.00 175.35 173.07 2yuv s TRP 41 N 1.74 3.57 0.04 3.18 0.52 -1.26 -2.41 118.94 124.32 2yuv s TRP 41 Ca -0.04 0.68 0.03 0.00 0.02 0.00 0.00 56.10 56.79 2yuv s TRP 41 Cb -0.12 -2.23 -0.02 0.00 -1.15 0.00 0.00 33.47 29.95 2yuv s TRP 41 CO -0.07 0.47 -0.09 0.71 0.02 0.00 0.00 176.95 177.99 2yuv s TYR 42 N -0.31 0.73 -0.19 -1.98 2.02 -1.16 -1.57 117.35 114.90 2yuv s TYR 42 Ca 0.18 -0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 2yuv s TYR 42 Cb -0.14 -0.44 0.05 0.00 -0.40 0.00 0.00 41.96 41.04 2yuv s TYR 42 CO 0.06 -0.06 -0.03 0.21 -1.57 0.00 0.00 175.55 174.16 2yuv s LYS 43 N -1.55 1.28 -1.44 -0.62 2.20 -0.07 -2.47 119.74 117.06 2yuv s LYS 43 Ca -0.09 -0.61 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 2yuv s LYS 43 Cb -0.10 -2.16 0.00 0.00 -1.51 0.00 0.00 37.83 34.06 2yuv s LYS 43 CO 0.01 -0.52 0.00 0.09 -0.36 0.00 0.00 175.35 174.56 2yuv n ASN 44 N 4.87 -4.93 0.00 1.43 4.13 0.30 -1.13 115.26 119.92 2yuv n ASN 44 Ca -0.11 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.24 2yuv n ASN 44 Cb 0.47 -4.15 0.00 0.00 -1.54 0.00 0.00 39.78 34.56 2yuv n ASN 44 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yuv n GLY 45 N -0.90 0.84 3.01 7.41 0.00 -1.26 -5.05 105.19 109.23 2yuv n GLY 45 Ca -0.20 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.78 2.07 -0.12 1.61 0.74 -0.28 -5.09 119.66 115.81 2yuv s GLN 46 Ca 0.00 -0.49 -0.29 0.00 0.05 0.00 0.00 55.36 54.63 2yuv s GLN 46 Cb 0.00 -1.87 -0.06 0.00 1.10 0.00 0.00 33.01 32.18 2yuv s GLN 46 CO 0.00 -0.16 1.93 -2.00 -0.55 0.00 0.00 175.29 174.51 2yuv s GLU 47 N 1.28 3.73 0.09 1.67 2.12 -1.26 -0.89 118.70 125.44 2yuv s GLU 47 Ca -0.01 2.13 -0.24 0.00 0.36 0.00 0.00 54.97 57.21 2yuv s GLU 47 Cb -0.14 -4.18 -0.07 0.00 0.26 0.00 0.00 34.13 30.00 2yuv s GLU 47 CO -0.06 -1.41 0.73 0.42 -0.54 0.00 0.00 175.26 174.40 2yuv s ILE 48 N 5.86 4.60 0.18 -3.70 1.01 -0.61 -4.96 121.20 123.58 2yuv s ILE 48 Ca 0.86 1.58 0.09 0.00 0.00 0.00 0.00 60.65 63.18 2yuv s ILE 48 Cb -0.34 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 2yuv s ILE 48 CO 0.35 0.46 -0.14 0.00 0.00 0.00 0.00 174.94 175.61 2yuv s ARG 49 N -0.63 1.92 -0.07 2.79 3.03 -1.26 -4.71 118.95 120.02 2yuv s ARG 49 Ca 0.36 -1.31 -0.30 0.00 2.03 0.00 0.00 55.73 56.51 2yuv s ARG 49 Cb -0.21 -2.09 -0.04 0.00 -1.03 0.00 0.00 34.95 31.57 2yuv s ARG 49 CO 0.23 0.43 1.50 -1.25 -1.13 0.00 0.00 175.30 175.09 2yuv s PRO 50 N -2.71 4.21 0.27 3.89 0.04 -1.26 -4.61 135.00 134.83 2yuv s PRO 50 Ca 0.23 2.01 -0.21 0.00 0.04 0.00 0.00 61.00 63.07 2yuv s PRO 50 Cb -0.09 -3.84 0.02 0.00 0.04 0.00 0.00 34.50 30.63 2yuv s PRO 50 CO 0.13 -0.76 0.72 -1.12 0.04 0.00 0.00 177.00 176.02 2yuv s SER 51 N 2.69 -0.27 0.37 6.66 0.01 -0.43 -4.94 113.70 117.79 2yuv s SER 51 Ca 0.67 -0.57 0.26 0.00 1.31 0.00 0.00 55.95 57.61 2yuv s SER 51 Cb -0.30 0.72 1.30 0.00 0.21 0.00 0.00 66.02 67.95 2yuv s SER 51 CO 0.25 -1.32 1.41 0.41 0.41 0.00 0.00 173.24 174.41 2yuv n THR 52 N -0.46 -0.28 0.01 1.44 -1.04 -1.26 0.18 114.28 112.87 2yuv n THR 52 Ca -0.05 1.70 -0.18 0.00 -2.04 0.00 0.00 64.05 63.48 2yuv n THR 52 Cb 0.59 -2.77 -0.10 0.00 -1.82 0.00 0.00 70.33 66.23 2yuv n THR 52 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2yuv h LYS 53 N 0.00 0.49 -4.71 -2.82 3.64 -1.94 -3.43 116.57 107.80 2yuv h LYS 53 Ca 0.78 -0.50 -0.69 0.00 -1.27 0.00 0.00 60.65 58.98 2yuv h LYS 53 Cb 2.38 0.14 -0.22 0.00 -0.41 0.00 0.00 32.23 34.11 2yuv h LYS 53 CO -0.52 1.14 -0.53 0.71 -2.27 0.00 0.00 179.45 177.99 2yuv s TYR 54 N -3.30 3.20 -0.50 1.91 2.02 0.47 -2.89 117.35 118.25 2yuv s TYR 54 Ca -0.12 -0.62 -0.17 0.00 -0.37 0.00 0.00 57.07 55.79 2yuv s TYR 54 Cb 0.04 -2.41 0.09 0.00 -0.40 0.00 0.00 41.96 39.28 2yuv s TYR 54 CO 0.84 -0.50 0.48 0.42 -1.57 0.00 0.00 175.55 175.23 2yuv s ILE 55 N 1.62 5.13 -0.33 2.71 -1.09 -0.92 -1.31 121.20 127.01 2yuv s ILE 55 Ca 0.04 -1.06 -0.21 0.00 -2.23 0.00 0.00 60.65 57.19 2yuv s ILE 55 Cb -0.18 -4.23 -0.00 0.00 -1.58 0.00 0.00 42.46 36.47 2yuv s ILE 55 CO 0.07 -0.73 0.67 -0.36 -1.23 0.00 0.00 174.94 173.36 2yuv s PHE 56 N 1.89 3.18 0.23 3.97 0.40 -1.26 -2.93 117.98 123.46 2yuv s PHE 56 Ca 0.06 0.54 0.10 0.00 -0.60 0.00 0.00 56.93 57.03 2yuv s PHE 56 Cb -0.25 -3.12 -0.05 0.00 0.51 0.00 0.00 43.02 40.12 2yuv s PHE 56 CO 0.07 -0.57 -0.18 -1.21 0.70 0.00 0.00 175.22 174.03 2yuv s GLU 57 N 2.75 1.47 -0.04 0.44 0.41 -0.88 -4.99 118.70 117.86 2yuv s GLU 57 Ca 0.27 -1.62 -0.01 0.00 -0.41 0.00 0.00 54.97 53.19 2yuv s GLU 57 Cb -0.14 -1.47 0.03 0.00 -1.78 0.00 0.00 34.13 30.77 2yuv s GLU 57 CO 0.13 0.27 0.06 -1.58 -0.49 0.00 0.00 175.26 173.66 2yuv s HIS 58 N -2.53 0.00 -0.21 1.61 5.65 -1.26 -1.37 115.29 117.18 2yuv s HIS 58 Ca 0.24 0.26 -0.04 0.00 0.25 0.00 0.00 55.06 55.77 2yuv s HIS 58 Cb -0.04 -0.31 0.10 0.00 -1.18 0.00 0.00 32.58 31.15 2yuv s HIS 58 CO 0.10 -0.15 0.24 0.15 -0.65 0.00 0.00 174.74 174.43 2yuv s LYS 59 N 1.59 0.21 -0.22 2.88 1.02 0.84 -4.96 119.74 121.10 2yuv s LYS 59 Ca -0.03 0.19 -0.04 0.00 0.02 0.00 0.00 55.97 56.11 2yuv s LYS 59 Cb -0.12 -1.12 0.01 0.00 -0.52 0.00 0.00 37.83 36.07 2yuv s LYS 59 CO -0.04 -0.69 0.09 0.41 -0.92 0.00 0.00 175.35 174.21 2yuv n GLY 60 N 5.32 -2.24 3.64 -3.33 0.00 -1.26 -2.75 105.19 104.57 2yuv n GLY 60 Ca -0.05 0.42 -0.26 0.00 0.00 0.00 0.00 46.02 46.12 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 -5.53 0.20 -0.12 0.00 -0.44 -1.11 -2.30 119.66 110.37 2yuv s GLN 62 Ca 0.36 0.45 0.02 0.00 -2.50 0.00 0.00 55.36 53.70 2yuv s GLN 62 Cb -0.21 -0.08 -0.01 0.00 -1.64 0.00 0.00 33.01 31.08 2yuv s GLN 62 CO 0.69 -0.13 -0.19 1.03 0.50 0.00 0.00 175.29 177.19 2yuv s ARG 63 N 0.99 3.18 0.11 1.67 1.81 -0.85 -0.12 118.95 125.74 2yuv s ARG 63 Ca -0.07 -0.80 0.06 0.00 -1.72 0.00 0.00 55.73 53.20 2yuv s ARG 63 Cb -0.09 -2.44 -0.04 0.00 -0.45 0.00 0.00 34.95 31.93 2yuv s ARG 63 CO -0.06 0.18 -0.06 0.42 -0.68 0.00 0.00 175.30 175.10 2yuv s ILE 64 N 0.38 3.62 -0.05 1.52 1.09 -0.47 -2.59 121.20 124.70 2yuv s ILE 64 Ca -0.15 -1.19 0.01 0.00 -1.10 0.00 0.00 60.65 58.22 2yuv s ILE 64 Cb -0.17 -2.72 0.02 0.00 -1.06 0.00 0.00 42.46 38.54 2yuv s ILE 64 CO 0.07 0.09 -0.04 -0.22 -0.10 0.00 0.00 174.94 174.74 2yuv s LEU 65 N -2.31 1.29 -0.12 2.97 1.98 -0.33 -2.08 118.68 120.08 2yuv s LEU 65 Ca 0.23 -0.13 0.03 0.00 -2.89 0.00 0.00 54.13 51.38 2yuv s LEU 65 Cb -0.11 -0.45 0.00 0.00 0.66 0.00 0.00 46.19 46.29 2yuv s LEU 65 CO 0.16 -0.06 -0.22 -0.36 -1.89 0.00 0.00 176.35 173.98 2yuv s PHE 66 N 0.98 2.63 -0.26 5.38 0.08 -1.15 -1.63 117.98 124.01 2yuv s PHE 66 Ca -0.10 -1.12 -0.01 0.00 0.12 0.00 0.00 56.93 55.82 2yuv s PHE 66 Cb -0.14 -1.77 0.04 0.00 -0.57 0.00 0.00 43.02 40.58 2yuv s PHE 66 CO -0.00 -0.47 -0.06 0.42 -0.10 0.00 0.00 175.22 175.00 2yuv s ILE 67 N 0.53 2.74 0.36 0.64 1.01 -1.24 -2.17 121.20 123.07 2yuv s ILE 67 Ca -0.14 -1.22 -0.05 0.00 0.00 0.00 0.00 60.65 59.25 2yuv s ILE 67 Cb -0.17 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 2yuv s ILE 67 CO 0.05 0.10 0.63 0.20 0.00 0.00 0.00 174.94 175.91 2yuv s ASN 68 N 1.27 6.39 -0.33 3.58 0.01 -1.14 -2.62 114.94 122.08 2yuv s ASN 68 Ca -0.03 0.76 -0.02 0.00 -0.71 0.00 0.00 52.86 52.86 2yuv s ASN 68 Cb -0.18 -2.16 0.00 0.00 0.41 0.00 0.00 41.25 39.32 2yuv s ASN 68 CO -0.04 -0.32 0.29 -3.20 -1.51 0.00 0.00 177.10 172.32 2yuv n ASN 69 N -1.44 -2.84 -4.56 -1.22 5.15 -0.62 -4.94 115.26 104.80 2yuv n ASN 69 Ca -0.01 -0.14 -0.39 0.00 -0.60 0.00 0.00 54.58 53.44 2yuv n ASN 69 Cb 0.55 -1.65 -0.03 0.00 -0.53 0.00 0.00 39.78 38.12 2yuv n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yuv s GLN 71 N 7.08 2.72 0.22 0.00 2.00 -1.26 0.00 119.66 130.42 2yuv s GLN 71 Ca 0.81 -0.81 -0.09 0.00 -2.00 0.00 0.00 55.36 53.27 2yuv s GLN 71 Cb -0.17 -2.61 0.35 0.00 0.80 0.00 0.00 33.01 31.37 2yuv s GLN 71 CO 0.26 0.53 1.69 0.52 -0.50 0.00 0.00 175.29 177.79 2yuv h MET 72 N 3.13 0.23 0.00 1.67 2.86 -1.89 0.16 114.93 121.09 2yuv h MET 72 Ca -0.47 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.06 2yuv h MET 72 Cb 1.17 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 2yuv h MET 72 CO 0.62 0.15 -0.45 1.79 1.06 0.00 0.00 176.91 180.09 2yuv h THR 73 N 0.24 1.29 -0.62 2.22 1.35 -1.95 -2.99 112.91 112.45 2yuv h THR 73 Ca 0.35 -1.55 -0.10 0.00 -0.55 0.00 0.00 66.41 64.56 2yuv h THR 73 Cb 0.55 1.85 -0.02 0.00 -1.73 0.00 0.00 68.15 68.79 2yuv h THR 73 CO -0.46 0.44 0.00 0.44 -0.25 0.00 0.00 175.52 175.69 2yuv h ASP 74 N 0.00 1.07 -0.05 5.36 3.32 -1.12 -3.44 116.42 121.56 2yuv h ASP 74 Ca -0.00 -0.30 -0.55 0.00 0.02 0.00 0.00 57.03 56.19 2yuv h ASP 74 Cb 0.81 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 2yuv h ASP 74 CO 0.06 1.11 0.91 -0.90 -1.72 0.00 0.00 179.24 178.70 2yuv n ASP 75 N -4.18 0.56 -4.22 6.45 5.75 -0.43 -4.88 116.55 115.59 2yuv n ASP 75 Ca 0.03 0.51 -0.15 0.00 -0.01 0.00 0.00 54.79 55.17 2yuv n ASP 75 Cb 0.35 -0.64 -0.10 0.00 -1.03 0.00 0.00 41.12 39.70 2yuv n ASP 75 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2yuv s SER 76 N 4.11 0.76 0.01 -1.12 0.01 -1.26 -4.98 113.70 111.23 2yuv s SER 76 Ca 0.85 -1.41 -0.26 0.00 1.31 0.00 0.00 55.95 56.44 2yuv s SER 76 Cb -1.07 0.28 -0.05 0.00 0.21 0.00 0.00 66.02 65.40 2yuv s SER 76 CO 0.48 -0.80 0.79 -1.83 0.41 0.00 0.00 173.24 172.29 2yuv s GLU 77 N -4.06 4.50 0.02 12.44 -1.05 -1.26 -3.63 118.70 125.66 2yuv s GLU 77 Ca 0.38 1.09 0.06 0.00 -0.15 0.00 0.00 54.97 56.35 2yuv s GLU 77 Cb 0.07 -3.40 -0.03 0.00 -0.44 0.00 0.00 34.13 30.33 2yuv s GLU 77 CO 0.13 0.17 -0.16 0.71 0.95 0.00 0.00 175.26 177.07 2yuv s TYR 78 N 0.35 2.63 -0.20 4.83 1.51 -0.96 -0.54 117.35 124.96 2yuv s TYR 78 Ca 0.41 -0.21 -0.08 0.00 -1.01 0.00 0.00 57.07 56.18 2yuv s TYR 78 Cb -0.20 -1.52 0.09 0.00 -0.11 0.00 0.00 41.96 40.22 2yuv s TYR 78 CO 0.23 0.25 0.45 1.52 -1.11 0.00 0.00 175.55 176.89 2yuv s TYR 79 N -0.90 -0.81 -0.02 2.71 1.13 -1.03 -0.32 117.35 118.10 2yuv s TYR 79 Ca 0.14 1.57 -0.02 0.00 -1.41 0.00 0.00 57.07 57.35 2yuv s TYR 79 Cb -0.11 0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 41.07 2yuv s TYR 79 CO 0.05 -0.47 0.14 0.54 -2.51 0.00 0.00 175.55 173.30 2yuv s VAL 80 N 2.29 5.16 0.02 -3.49 0.11 -0.93 -3.01 120.40 120.54 2yuv s VAL 80 Ca -0.04 -0.22 0.07 0.00 -2.93 0.00 0.00 61.98 58.86 2yuv s VAL 80 Cb -0.11 -3.37 -0.03 0.00 -1.53 0.00 0.00 36.38 31.34 2yuv s VAL 80 CO -0.14 0.37 -0.21 0.42 -3.33 0.00 0.00 175.10 172.21 2yuv s THR 81 N -1.24 2.50 -0.26 5.04 -4.23 -1.01 -1.99 115.64 114.45 2yuv s THR 81 Ca 0.24 -1.17 -0.04 0.00 -1.18 0.00 0.00 61.69 59.54 2yuv s THR 81 Cb -0.12 -1.99 0.14 0.00 1.34 0.00 0.00 72.50 71.87 2yuv s THR 81 CO 0.15 0.43 0.51 0.00 -0.54 0.00 0.00 174.62 175.17 2yuv s ALA 82 N -0.80 -1.66 0.00 3.99 0.00 -0.48 -2.69 121.76 120.12 2yuv s ALA 82 Ca 0.12 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2yuv s ALA 82 Cb -0.10 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.23 2yuv s ALA 82 CO 0.02 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.07 2yuv n GLY 83 N 5.41 1.55 0.02 0.00 0.00 -1.26 -2.46 105.19 108.45 2yuv n GLY 83 Ca -0.05 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 10.67 1.99 -4.39 1.61 2.03 -1.26 -5.04 116.55 122.16 2yuv n ASP 84 Ca 0.00 -2.18 -0.19 0.00 0.52 0.00 0.00 54.79 52.94 2yuv n ASP 84 Cb 0.00 -0.09 -0.10 0.00 -0.72 0.00 0.00 41.12 40.21 2yuv n ASP 84 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2yuv s GLU 85 N -1.33 1.49 -0.09 -0.67 0.41 -1.03 -5.06 118.70 112.42 2yuv s GLU 85 Ca 0.06 -1.79 -0.30 0.00 -0.41 0.00 0.00 54.97 52.54 2yuv s GLU 85 Cb 0.06 -0.74 0.11 0.00 -1.78 0.00 0.00 34.13 31.78 2yuv s GLU 85 CO 0.01 -0.14 0.89 -1.59 -0.49 0.00 0.00 175.26 173.94 2yuv s LYS 86 N -3.88 0.77 0.34 1.61 -2.85 -1.26 -1.39 119.74 113.09 2yuv s LYS 86 Ca 0.33 0.06 0.05 0.00 -1.00 0.00 0.00 55.97 55.41 2yuv s LYS 86 Cb 0.07 0.36 -0.07 0.00 -2.06 0.00 0.00 37.83 36.13 2yuv s LYS 86 CO 0.12 -0.27 0.04 0.00 0.10 0.00 0.00 175.35 175.34 2yuv s SER 88 N -3.53 0.35 0.18 0.00 1.04 -1.26 -2.18 113.70 108.30 2yuv s SER 88 Ca 0.35 -0.83 -0.12 0.00 0.48 0.00 0.00 55.95 55.83 2yuv s SER 88 Cb 0.09 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.44 2yuv s SER 88 CO 0.16 -0.60 0.38 0.28 0.98 0.00 0.00 173.24 174.44 2yuv s THR 89 N -3.57 0.05 -0.10 2.02 -1.32 0.56 -4.86 115.64 108.42 2yuv s THR 89 Ca 0.03 -1.16 0.03 0.00 -1.21 0.00 0.00 61.69 59.38 2yuv s THR 89 Cb 0.05 -1.76 -0.01 0.00 -1.51 0.00 0.00 72.50 69.27 2yuv s THR 89 CO -0.09 -0.22 -0.20 -1.61 -2.21 0.00 0.00 174.62 170.29 2yuv s GLU 90 N -3.93 3.08 -0.17 7.08 0.41 -1.26 -2.27 118.70 121.63 2yuv s GLU 90 Ca 0.14 -0.82 -0.13 0.00 -0.41 0.00 0.00 54.97 53.76 2yuv s GLU 90 Cb 0.01 -2.39 -0.05 0.00 -1.78 0.00 0.00 34.13 29.93 2yuv s GLU 90 CO -0.01 0.23 0.25 -1.17 -0.49 0.00 0.00 175.26 174.08 2yuv s LEU 91 N 0.25 4.23 -0.39 1.80 1.98 -1.24 -1.04 118.68 124.27 2yuv s LEU 91 Ca -0.14 0.43 0.03 0.00 -2.89 0.00 0.00 54.13 51.56 2yuv s LEU 91 Cb -0.17 -2.30 0.11 0.00 0.66 0.00 0.00 46.19 44.49 2yuv s LEU 91 CO 0.07 0.11 0.13 -0.36 -1.89 0.00 0.00 176.35 174.41 2yuv s PHE 92 N 0.50 3.13 -0.24 5.38 0.08 -0.56 -4.53 117.98 121.74 2yuv s PHE 92 Ca 0.14 -2.80 -0.14 0.00 0.12 0.00 0.00 56.93 54.25 2yuv s PHE 92 Cb -0.13 -2.62 -0.04 0.00 -0.57 0.00 0.00 43.02 39.67 2yuv s PHE 92 CO 0.03 -0.87 0.35 0.54 -0.10 0.00 0.00 175.22 175.16 2yuv s VAL 93 N 0.66 5.21 0.38 -0.44 0.11 -1.26 -2.29 120.40 122.76 2yuv s VAL 93 Ca 0.13 0.55 -0.19 0.00 -2.93 0.00 0.00 61.98 59.54 2yuv s VAL 93 Cb -0.21 -3.68 -0.10 0.00 -1.53 0.00 0.00 36.38 30.86 2yuv s VAL 93 CO -0.08 0.22 0.86 -0.13 -3.33 0.00 0.00 175.10 172.64 2yuv s ARG 94 N 1.68 4.18 -0.46 1.54 0.52 -0.29 -4.54 118.95 121.57 2yuv s ARG 94 Ca 0.15 0.96 0.03 0.00 -0.52 0.00 0.00 55.73 56.36 2yuv s ARG 94 Cb -0.15 -2.34 0.16 0.00 0.52 0.00 0.00 34.95 33.13 2yuv s ARG 94 CO 0.09 0.08 0.33 0.45 0.02 0.00 0.00 175.30 176.27 2yuv s SER 95 N -2.15 2.68 -0.06 0.23 0.15 -1.26 -0.89 113.70 112.41 2yuv s SER 95 Ca 0.58 -3.02 0.03 0.00 0.70 0.00 0.00 55.95 54.24 2yuv s SER 95 Cb -0.10 -0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 63.42 2yuv s SER 95 CO 0.16 -0.19 -0.14 -0.83 1.20 0.00 0.00 173.24 173.43 2yuv s GLY 96 N -0.04 1.53 -0.02 9.45 0.00 -1.26 -5.04 107.32 111.93 2yuv s GLY 96 Ca 0.27 -0.97 -0.26 0.00 0.00 0.00 0.00 44.72 43.76 2yuv s GLY 96 CO -0.13 -0.72 1.24 -0.56 0.00 0.00 0.00 173.10 172.93 2yuv h PRO 97 N 5.46 -0.04 -6.23 2.90 0.13 -2.00 -3.46 132.00 128.75 2yuv h PRO 97 Ca -0.45 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.22 2yuv h PRO 97 Cb 1.16 0.01 -0.29 0.00 0.13 0.00 0.00 31.00 32.01 2yuv h PRO 97 CO 0.51 0.44 -0.68 -1.13 -0.23 0.00 0.00 178.00 176.91 2yuv n SER 98 N -4.88 -1.42 -0.20 1.44 3.41 -1.26 -4.70 113.62 106.01 2yuv n SER 98 Ca -0.08 -0.90 0.04 0.00 -0.26 0.00 0.00 58.87 57.67 2yuv n SER 98 Cb 0.25 -1.25 -0.00 0.00 -0.26 0.00 0.00 64.21 62.95 2yuv n SER 98 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2yuv n SER 99 N -1.78 1.12 0.00 4.04 3.41 -1.26 -5.34 113.62 113.81 2yuv n SER 99 Ca 0.09 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 2yuv n SER 99 Cb 0.37 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 2yuv n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49