#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 3.99 -0.21 1.61 0.15 -1.26 -4.98 113.70 113.00 2yuv s SER 2 Ca 0.00 -1.56 -0.15 0.00 0.70 0.00 0.00 55.95 54.93 2yuv s SER 2 Cb 0.00 -0.98 -0.08 0.00 -1.71 0.00 0.00 66.02 63.25 2yuv s SER 2 CO 0.00 -0.37 -0.34 -1.54 1.20 0.00 0.00 173.24 172.19 2yuv n SER 3 N 4.76 1.88 0.00 5.45 3.41 -1.26 -5.13 113.62 122.73 2yuv n SER 3 Ca -0.03 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2yuv n SER 3 Cb 0.43 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 1.47 -0.54 3.37 5.00 0.00 -1.26 -5.13 105.19 108.11 2yuv n GLY 4 Ca -0.30 0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2yuv n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yuv s SER 5 N -4.00 4.11 -0.00 1.61 0.15 -1.26 -5.11 113.70 109.19 2yuv s SER 5 Ca 0.00 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.35 2yuv s SER 5 Cb 0.00 -1.64 -0.01 0.00 -1.71 0.00 0.00 66.02 62.66 2yuv s SER 5 CO 0.00 0.14 -0.08 -0.44 1.20 0.00 0.00 173.24 174.05 2yuv s SER 6 N 0.53 0.99 0.00 5.45 0.01 -1.26 -4.96 113.70 114.46 2yuv s SER 6 Ca -0.08 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2yuv s SER 6 Cb -0.15 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2yuv s SER 6 CO 0.04 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.38 2yuv n GLY 7 N 2.75 0.00 2.70 3.44 0.00 -1.26 -5.10 105.19 107.71 2yuv n GLY 7 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.08 -0.07 -0.18 4.61 0.00 -1.26 -5.00 121.76 119.78 2yuv s ALA 8 Ca 0.00 -0.12 0.17 0.00 0.00 0.00 0.00 51.96 52.01 2yuv s ALA 8 Cb 0.00 -1.37 -0.25 0.00 0.00 0.00 0.00 23.12 21.51 2yuv s ALA 8 CO 0.00 -1.35 0.13 0.00 0.00 0.00 0.00 175.76 174.54 2yuv n ALA 9 N 5.30 1.50 -2.51 0.00 0.00 -1.26 -4.77 120.51 118.78 2yuv n ALA 9 Ca -0.05 -1.28 -0.42 0.00 0.00 0.00 0.00 53.44 51.69 2yuv n ALA 9 Cb 0.48 -0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.50 3.16 0.19 0.00 0.08 -1.26 -0.65 117.98 116.99 2yuv s PHE 10 Ca -0.10 -0.22 0.23 0.00 0.12 0.00 0.00 56.93 56.96 2yuv s PHE 10 Cb 0.06 -2.92 0.94 0.00 -0.57 0.00 0.00 43.02 40.54 2yuv s PHE 10 CO 0.83 -0.66 1.84 0.00 -0.10 0.00 0.00 175.22 177.13 2yuv h ALA 11 N 8.68 1.06 -1.80 5.36 0.00 -1.71 -3.41 119.26 127.43 2yuv h ALA 11 Ca -0.27 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 2yuv h ALA 11 Cb 1.12 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 18.58 2yuv h ALA 11 CO 0.79 0.30 -0.48 0.21 0.00 0.00 0.00 179.25 180.07 2yuv s LYS 12 N -3.73 0.38 0.79 0.00 2.47 -1.25 -4.96 119.74 113.44 2yuv s LYS 12 Ca -0.00 0.47 -0.12 0.00 -1.56 0.00 0.00 55.97 54.76 2yuv s LYS 12 Cb 0.11 -0.38 0.07 0.00 -1.46 0.00 0.00 37.83 36.17 2yuv s LYS 12 CO 0.64 -0.73 1.16 0.96 0.16 0.00 0.00 175.35 177.54 2yuv s ILE 13 N 2.56 2.34 0.91 5.43 -4.36 -1.26 -2.45 121.20 124.37 2yuv s ILE 13 Ca 0.13 0.11 -0.13 0.00 -0.26 0.00 0.00 60.65 60.49 2yuv s ILE 13 Cb -0.15 -3.09 0.14 0.00 1.25 0.00 0.00 42.46 40.62 2yuv s ILE 13 CO -0.19 -0.14 1.17 -0.76 0.24 0.00 0.00 174.94 175.26 2yuv s LEU 14 N -5.56 2.15 0.69 0.37 1.02 -1.26 -4.97 118.68 111.12 2yuv s LEU 14 Ca 0.61 0.79 -0.13 0.00 0.02 0.00 0.00 54.13 55.42 2yuv s LEU 14 Cb -0.11 -3.07 0.01 0.00 0.02 0.00 0.00 46.19 43.04 2yuv s LEU 14 CO 0.50 -2.52 1.08 -1.81 0.02 0.00 0.00 176.35 173.62 2yuv s ASP 15 N -4.29 5.07 0.00 2.29 1.01 -1.26 -4.92 116.67 114.57 2yuv s ASP 15 Ca 0.65 1.83 0.14 0.00 0.71 0.00 0.00 52.55 55.88 2yuv s ASP 15 Cb -0.12 -2.53 0.61 0.00 1.01 0.00 0.00 42.92 41.89 2yuv s ASP 15 CO 0.52 -1.65 1.45 -0.81 0.21 0.00 0.00 175.17 174.89 2yuv n PRO 16 N -2.88 0.01 -3.63 8.23 -0.04 -1.26 -4.43 135.00 130.99 2yuv n PRO 16 Ca 0.09 0.25 -0.06 0.00 -0.04 0.00 0.00 63.50 63.74 2yuv n PRO 16 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.98 -2.07 0.26 0.55 0.00 -1.26 -4.16 121.76 112.10 2yuv s ALA 17 Ca 0.07 1.75 0.09 0.00 0.00 0.00 0.00 51.96 53.88 2yuv s ALA 17 Cb 0.09 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 2yuv s ALA 17 CO 0.26 -0.22 -0.15 0.71 0.00 0.00 0.00 175.76 176.36 2yuv s TYR 18 N -0.46 2.05 -0.14 0.00 1.51 0.27 -4.90 117.35 115.67 2yuv s TYR 18 Ca 0.04 -0.49 -0.07 0.00 -1.01 0.00 0.00 57.07 55.54 2yuv s TYR 18 Cb -0.03 -0.98 0.06 0.00 -0.11 0.00 0.00 41.96 40.89 2yuv s TYR 18 CO -0.07 0.51 0.34 -0.65 -1.11 0.00 0.00 175.55 174.57 2yuv s GLN 19 N -3.60 0.30 0.22 -0.62 -0.21 -1.26 -0.61 119.66 113.88 2yuv s GLN 19 Ca 0.28 0.69 -0.07 0.00 0.02 0.00 0.00 55.36 56.28 2yuv s GLN 19 Cb -0.01 -0.05 -0.02 0.00 1.00 0.00 0.00 33.01 33.92 2yuv s GLN 19 CO 0.12 -0.17 0.29 0.54 -2.12 0.00 0.00 175.29 173.95 2yuv s VAL 20 N 1.44 0.01 0.40 1.09 0.11 -0.91 -4.97 120.40 117.56 2yuv s VAL 20 Ca -0.09 -1.70 -0.13 0.00 -2.93 0.00 0.00 61.98 57.13 2yuv s VAL 20 Cb -0.10 -2.32 -0.07 0.00 -1.53 0.00 0.00 36.38 32.36 2yuv s VAL 20 CO -0.11 -0.03 0.79 -0.62 -3.33 0.00 0.00 175.10 171.80 2yuv s ASP 21 N -3.08 6.61 0.73 3.54 2.15 -1.26 -1.58 116.67 123.77 2yuv s ASP 21 Ca 0.30 1.24 -0.16 0.00 0.43 0.00 0.00 52.55 54.36 2yuv s ASP 21 Cb 0.03 -2.36 -0.03 0.00 -0.30 0.00 0.00 42.92 40.26 2yuv s ASP 21 CO 0.10 -0.37 0.56 1.17 -0.17 0.00 0.00 175.17 176.46 2yuv n LYS 22 N -1.07 0.30 -1.98 4.34 4.81 -0.87 -1.33 118.16 122.36 2yuv n LYS 22 Ca 0.03 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 2yuv n LYS 22 Cb 0.54 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.73 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 1.59 -0.33 0.00 3.14 0.00 0.39 -4.75 105.19 105.23 2yuv n GLY 23 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.33 1.63 2.91 -0.02 0.00 -0.44 -4.16 105.19 104.78 2yuv n GLY 24 Ca 0.00 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.13 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 3.09 0.08 0.50 1.61 3.52 -1.26 -1.59 118.95 124.90 2yuv s ARG 25 Ca 0.00 0.58 0.03 0.00 -0.13 0.00 0.00 55.73 56.21 2yuv s ARG 25 Cb 0.00 -0.19 0.02 0.00 -1.56 0.00 0.00 34.95 33.22 2yuv s ARG 25 CO 0.00 -0.27 0.70 0.14 -0.81 0.00 0.00 175.30 175.06 2yuv s VAL 26 N 2.09 3.03 -0.09 7.11 -7.23 -1.18 -4.95 120.40 119.18 2yuv s VAL 26 Ca -0.00 -0.73 0.01 0.00 -1.81 0.00 0.00 61.98 59.45 2yuv s VAL 26 Cb -0.12 -3.10 0.02 0.00 0.56 0.00 0.00 36.38 33.74 2yuv s VAL 26 CO -0.07 -0.06 -0.10 -0.60 -0.31 0.00 0.00 175.10 173.96 2yuv s ARG 27 N -4.61 1.68 -0.23 4.82 3.52 -1.26 -3.62 118.95 119.25 2yuv s ARG 27 Ca 0.55 -0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 55.77 2yuv s ARG 27 Cb -0.10 -1.54 0.07 0.00 -1.56 0.00 0.00 34.95 31.82 2yuv s ARG 27 CO 0.37 -0.12 0.02 -0.06 -0.81 0.00 0.00 175.30 174.70 2yuv s PHE 28 N 1.17 1.57 0.03 5.12 0.08 0.45 -4.98 117.98 121.41 2yuv s PHE 28 Ca -0.05 -1.30 0.06 0.00 0.12 0.00 0.00 56.93 55.76 2yuv s PHE 28 Cb -0.14 -1.33 -0.02 0.00 -0.57 0.00 0.00 43.02 40.95 2yuv s PHE 28 CO -0.02 -0.71 -0.19 0.54 -0.10 0.00 0.00 175.22 174.73 2yuv s VAL 29 N 1.67 1.51 0.19 -0.44 0.11 -1.26 0.21 120.40 122.39 2yuv s VAL 29 Ca -0.00 -1.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.02 2yuv s VAL 29 Cb -0.18 -1.31 -0.05 0.00 -1.53 0.00 0.00 36.38 33.32 2yuv s VAL 29 CO -0.11 0.24 0.03 0.68 -3.33 0.00 0.00 175.10 172.61 2yuv s VAL 30 N -0.69 0.54 0.13 2.04 -7.23 -0.46 -4.63 120.40 110.10 2yuv s VAL 30 Ca 0.06 -1.97 0.09 0.00 -1.81 0.00 0.00 61.98 58.35 2yuv s VAL 30 Cb -0.08 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 2yuv s VAL 30 CO 0.01 -0.36 -0.21 -0.70 -0.31 0.00 0.00 175.10 173.53 2yuv s GLU 31 N -3.97 1.20 -0.08 4.82 2.12 -1.03 -1.50 118.70 120.26 2yuv s GLU 31 Ca 0.27 -1.26 0.00 0.00 0.36 0.00 0.00 54.97 54.35 2yuv s GLU 31 Cb 0.07 -1.43 0.02 0.00 0.26 0.00 0.00 34.13 33.05 2yuv s GLU 31 CO 0.06 0.32 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.53 2yuv s LEU 32 N -2.16 1.18 0.56 2.70 1.43 -0.82 -2.05 118.68 119.51 2yuv s LEU 32 Ca 0.10 -0.23 0.39 0.00 -1.03 0.00 0.00 54.13 53.37 2yuv s LEU 32 Cb -0.09 -0.69 1.56 0.00 0.03 0.00 0.00 46.19 47.00 2yuv s LEU 32 CO 0.05 -0.09 1.72 0.00 0.23 0.00 0.00 176.35 178.26 2yuv h ALA 33 N 7.80 3.26 -2.97 4.21 0.00 -1.19 -3.40 119.26 126.98 2yuv h ALA 33 Ca -0.29 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 2yuv h ALA 33 Cb 1.14 0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.79 2yuv h ALA 33 CO 0.40 -1.70 -0.38 -0.51 0.00 0.00 0.00 179.25 177.07 2yuv s ASP 34 N -4.72 -0.27 0.35 0.00 1.01 -1.26 -5.04 116.67 106.74 2yuv s ASP 34 Ca -0.05 0.47 0.14 0.00 0.71 0.00 0.00 52.55 53.82 2yuv s ASP 34 Cb 0.23 0.53 0.65 0.00 1.01 0.00 0.00 42.92 45.34 2yuv s ASP 34 CO 0.79 -0.16 1.76 1.55 0.21 0.00 0.00 175.17 179.33 2yuv h PRO 35 N 5.40 0.00 -1.08 8.23 0.13 -1.84 -3.09 132.00 139.75 2yuv h PRO 35 Ca -0.27 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.15 2yuv h PRO 35 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 2yuv h PRO 35 CO 0.34 0.43 0.71 -0.22 -0.23 0.00 0.00 178.00 179.03 2yuv h LYS 36 N 0.00 0.28 -7.20 0.86 3.64 -1.96 -3.41 116.57 108.78 2yuv h LYS 36 Ca -0.00 -0.02 -0.51 0.00 -1.27 0.00 0.00 60.65 58.85 2yuv h LYS 36 Cb 0.82 -0.06 0.12 0.00 -0.41 0.00 0.00 32.23 32.69 2yuv h LYS 36 CO 0.06 0.19 0.37 -0.51 -2.27 0.00 0.00 179.45 177.29 2yuv s LEU 37 N -9.37 3.35 0.15 5.20 1.43 -1.17 -5.04 118.68 113.22 2yuv s LEU 37 Ca -0.08 2.07 0.04 0.00 -1.03 0.00 0.00 54.13 55.12 2yuv s LEU 37 Cb 0.25 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.88 2yuv s LEU 37 CO 0.80 -1.80 0.19 -0.70 0.23 0.00 0.00 176.35 175.07 2yuv s GLU 38 N -4.10 3.14 -0.01 1.70 2.12 -1.26 -4.96 118.70 115.32 2yuv s GLU 38 Ca 0.68 -0.73 0.08 0.00 0.36 0.00 0.00 54.97 55.36 2yuv s GLU 38 Cb -0.22 -2.80 -0.02 0.00 0.26 0.00 0.00 34.13 31.35 2yuv s GLU 38 CO 0.43 0.51 -0.25 0.14 -0.54 0.00 0.00 175.26 175.55 2yuv s VAL 39 N -1.71 2.00 -0.06 3.70 -7.23 -1.26 -3.98 120.40 111.86 2yuv s VAL 39 Ca 0.32 -1.10 -0.02 0.00 -1.81 0.00 0.00 61.98 59.37 2yuv s VAL 39 Cb -0.11 -1.66 0.04 0.00 0.56 0.00 0.00 36.38 35.21 2yuv s VAL 39 CO 0.26 0.54 0.12 -0.54 -0.31 0.00 0.00 175.10 175.17 2yuv s LYS 40 N -0.65 0.01 -0.09 4.82 1.02 -1.12 -4.98 119.74 118.76 2yuv s LYS 40 Ca 0.10 0.42 -0.12 0.00 0.02 0.00 0.00 55.97 56.39 2yuv s LYS 40 Cb -0.10 -0.29 -0.05 0.00 -0.52 0.00 0.00 37.83 36.87 2yuv s LYS 40 CO -0.01 -0.25 0.27 -1.58 -0.92 0.00 0.00 175.35 172.86 2yuv s TRP 41 N 1.79 3.60 0.06 3.18 0.52 -1.26 -2.35 118.94 124.49 2yuv s TRP 41 Ca -0.02 0.70 0.05 0.00 0.02 0.00 0.00 56.10 56.85 2yuv s TRP 41 Cb -0.12 -2.17 -0.03 0.00 -1.15 0.00 0.00 33.47 30.00 2yuv s TRP 41 CO -0.05 0.56 -0.13 0.71 0.02 0.00 0.00 176.95 178.06 2yuv s TYR 42 N -0.59 1.11 -0.26 -1.98 1.51 -1.00 -1.79 117.35 114.36 2yuv s TYR 42 Ca 0.18 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.78 2yuv s TYR 42 Cb -0.14 -0.64 0.08 0.00 -0.11 0.00 0.00 41.96 41.16 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 -1.64 0.84 -1.07 -0.62 2.20 0.64 -2.63 119.74 117.47 2yuv s LYS 43 Ca -0.03 -0.85 -0.03 0.00 -0.36 0.00 0.00 55.97 54.70 2yuv s LYS 43 Cb -0.10 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 2yuv s LYS 43 CO 0.02 -0.81 0.91 -1.71 -0.36 0.00 0.00 175.35 173.40 2yuv n ASN 44 N 4.88 -3.57 -1.98 1.43 5.15 -0.14 -2.72 115.26 118.32 2yuv n ASN 44 Ca -0.06 -0.49 -0.14 0.00 -0.60 0.00 0.00 54.58 53.29 2yuv n ASN 44 Cb 0.44 -4.36 0.02 0.00 -0.53 0.00 0.00 39.78 35.35 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 -1.39 -0.09 2.87 8.20 0.00 -1.26 -5.02 105.19 108.51 2yuv n GLY 45 Ca -0.14 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.24 0.05 0.21 1.61 -1.52 -1.10 -5.13 119.66 108.54 2yuv s GLN 46 Ca 0.18 0.49 -0.32 0.00 -1.95 0.00 0.00 55.36 53.76 2yuv s GLN 46 Cb -0.08 -0.24 -0.12 0.00 -0.22 0.00 0.00 33.01 32.35 2yuv s GLN 46 CO 0.23 -0.25 1.68 -1.91 -0.25 0.00 0.00 175.29 174.79 2yuv n GLU 47 N 4.90 2.65 -3.12 2.91 2.13 -1.26 -0.26 120.64 128.59 2yuv n GLU 47 Ca -0.13 0.96 -0.39 0.00 0.66 0.00 0.00 57.16 58.25 2yuv n GLU 47 Cb 0.50 -2.78 -0.05 0.00 0.27 0.00 0.00 31.44 29.38 2yuv n GLU 47 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2yuv s ILE 48 N 1.01 4.99 -0.04 6.31 1.01 -0.74 -4.87 121.20 128.88 2yuv s ILE 48 Ca 0.75 1.34 -0.08 0.00 0.00 0.00 0.00 60.65 62.66 2yuv s ILE 48 Cb -0.54 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 2yuv s ILE 48 CO 0.35 0.32 0.25 0.00 0.00 0.00 0.00 174.94 175.86 2yuv s ARG 49 N 0.41 3.59 -0.03 2.79 1.70 -1.26 -4.85 118.95 121.31 2yuv s ARG 49 Ca 0.34 -0.01 -0.30 0.00 -0.47 0.00 0.00 55.73 55.30 2yuv s ARG 49 Cb -0.18 -3.14 -0.05 0.00 -0.57 0.00 0.00 34.95 31.01 2yuv s ARG 49 CO 0.17 0.70 1.47 -1.25 -1.08 0.00 0.00 175.30 175.32 2yuv s PRO 50 N -1.38 4.24 0.31 3.89 0.04 -1.26 -4.69 135.00 136.15 2yuv s PRO 50 Ca 0.22 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 63.09 2yuv s PRO 50 Cb -0.13 -3.70 0.03 0.00 0.04 0.00 0.00 34.50 30.74 2yuv s PRO 50 CO 0.11 -0.67 0.75 0.45 0.04 0.00 0.00 177.00 177.68 2yuv s SER 51 N 2.29 -0.16 0.51 6.66 0.15 -1.11 -4.97 113.70 117.08 2yuv s SER 51 Ca 0.66 -0.80 0.37 0.00 0.70 0.00 0.00 55.95 56.88 2yuv s SER 51 Cb -0.32 0.77 1.52 0.00 -1.71 0.00 0.00 66.02 66.29 2yuv s SER 51 CO 0.26 -1.46 1.72 0.71 1.20 0.00 0.00 173.24 175.67 2yuv h THR 52 N 2.00 0.29 -0.05 6.45 1.35 -2.00 0.36 112.91 121.31 2yuv h THR 52 Ca -0.24 -0.02 -0.09 0.00 -0.55 0.00 0.00 66.41 65.51 2yuv h THR 52 Cb 1.25 0.22 0.01 0.00 -1.73 0.00 0.00 68.15 67.89 2yuv h THR 52 CO 0.29 0.01 -0.34 0.50 -0.25 0.00 0.00 175.52 175.74 2yuv h LYS 53 N 0.06 0.32 -4.71 4.72 3.64 -1.94 -3.43 116.57 115.23 2yuv h LYS 53 Ca 0.69 -0.27 -0.68 0.00 -1.27 0.00 0.00 60.65 59.12 2yuv h LYS 53 Cb 2.57 0.06 -0.21 0.00 -0.41 0.00 0.00 32.23 34.25 2yuv h LYS 53 CO -0.10 0.93 -0.50 0.71 -2.27 0.00 0.00 179.45 178.22 2yuv s TYR 54 N -3.52 3.21 -0.50 1.91 2.02 0.13 -2.24 117.35 118.37 2yuv s TYR 54 Ca -0.14 -0.40 -0.18 0.00 -0.37 0.00 0.00 57.07 55.98 2yuv s TYR 54 Cb 0.03 -2.44 0.06 0.00 -0.40 0.00 0.00 41.96 39.21 2yuv s TYR 54 CO 0.77 -0.43 0.55 0.42 -1.57 0.00 0.00 175.55 175.30 2yuv s ILE 55 N 1.67 4.99 -0.34 2.71 -1.09 -0.62 -2.75 121.20 125.77 2yuv s ILE 55 Ca 0.05 -0.69 -0.18 0.00 -2.23 0.00 0.00 60.65 57.61 2yuv s ILE 55 Cb -0.18 -4.25 -0.01 0.00 -1.58 0.00 0.00 42.46 36.45 2yuv s ILE 55 CO 0.09 -0.74 0.49 -0.36 -1.23 0.00 0.00 174.94 173.19 2yuv s PHE 56 N 2.31 3.19 -0.18 3.97 0.40 -1.26 -2.62 117.98 123.79 2yuv s PHE 56 Ca 0.11 0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.65 2yuv s PHE 56 Cb -0.21 -2.86 0.03 0.00 0.51 0.00 0.00 43.02 40.49 2yuv s PHE 56 CO 0.10 -0.49 -0.13 -1.21 0.70 0.00 0.00 175.22 174.19 2yuv s GLU 57 N 2.33 2.22 -0.23 0.44 2.02 -1.02 -5.02 118.70 119.44 2yuv s GLU 57 Ca 0.18 -0.74 -0.08 0.00 0.02 0.00 0.00 54.97 54.35 2yuv s GLU 57 Cb -0.16 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 2yuv s GLU 57 CO 0.13 -0.34 0.10 -1.58 0.02 0.00 0.00 175.26 173.59 2yuv s HIS 58 N 1.42 3.20 -0.47 1.61 5.65 -1.26 -1.16 115.29 124.27 2yuv s HIS 58 Ca 0.02 -0.06 0.03 0.00 0.25 0.00 0.00 55.06 55.30 2yuv s HIS 58 Cb -0.15 -2.21 0.15 0.00 -1.18 0.00 0.00 32.58 29.19 2yuv s HIS 58 CO -0.10 -0.08 0.30 0.15 -0.65 0.00 0.00 174.74 174.37 2yuv s LYS 59 N 1.11 1.33 5.07 2.88 -0.14 0.30 -5.02 119.74 125.27 2yuv s LYS 59 Ca 0.05 -2.19 0.00 0.00 -1.36 0.00 0.00 55.97 52.48 2yuv s LYS 59 Cb -0.14 -2.22 0.00 0.00 -1.68 0.00 0.00 37.83 33.79 2yuv s LYS 59 CO 0.04 -1.24 0.00 0.41 -0.76 0.00 0.00 175.35 173.80 2yuv n GLY 60 N 3.18 0.89 2.22 -3.33 0.00 -1.26 -1.82 105.19 105.08 2yuv n GLY 60 Ca 0.15 0.48 -0.31 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.75 0.34 -0.19 0.00 0.74 -0.76 -1.95 119.66 114.09 2yuv s GLN 62 Ca 0.61 0.60 0.01 0.00 0.05 0.00 0.00 55.36 56.62 2yuv s GLN 62 Cb 0.48 0.02 0.04 0.00 1.10 0.00 0.00 33.01 34.66 2yuv s GLN 62 CO 0.01 -0.12 -0.09 1.03 -0.55 0.00 0.00 175.29 175.56 2yuv s ARG 63 N 0.92 1.93 0.15 1.67 1.81 -0.56 -0.54 118.95 124.34 2yuv s ARG 63 Ca -0.06 -0.79 0.01 0.00 -1.72 0.00 0.00 55.73 53.17 2yuv s ARG 63 Cb -0.07 -2.35 -0.04 0.00 -0.45 0.00 0.00 34.95 32.04 2yuv s ARG 63 CO -0.07 -0.43 0.31 0.42 -0.68 0.00 0.00 175.30 174.85 2yuv s ILE 64 N 1.44 5.29 -0.11 1.52 1.09 -0.31 -1.35 121.20 128.76 2yuv s ILE 64 Ca -0.01 -0.50 -0.05 0.00 -1.10 0.00 0.00 60.65 58.98 2yuv s ILE 64 Cb -0.16 -3.72 0.05 0.00 -1.06 0.00 0.00 42.46 37.57 2yuv s ILE 64 CO -0.08 -0.08 0.25 -0.22 -0.10 0.00 0.00 174.94 174.72 2yuv s LEU 65 N -3.13 0.23 -0.07 2.97 1.98 0.55 -2.44 118.68 118.77 2yuv s LEU 65 Ca 0.36 0.55 0.05 0.00 -2.89 0.00 0.00 54.13 52.20 2yuv s LEU 65 Cb -0.11 0.74 -0.01 0.00 0.66 0.00 0.00 46.19 47.47 2yuv s LEU 65 CO 0.28 -0.18 -0.24 -0.36 -1.89 0.00 0.00 176.35 173.96 2yuv s PHE 66 N 1.54 2.48 -0.28 5.38 0.08 -1.08 -0.41 117.98 125.70 2yuv s PHE 66 Ca -0.07 -0.76 0.02 0.00 0.12 0.00 0.00 56.93 56.23 2yuv s PHE 66 Cb -0.11 -1.63 0.06 0.00 -0.57 0.00 0.00 43.02 40.77 2yuv s PHE 66 CO -0.09 -0.24 -0.07 0.42 -0.10 0.00 0.00 175.22 175.14 2yuv s ILE 67 N -0.07 2.42 0.56 0.64 1.01 -1.24 -1.59 121.20 122.93 2yuv s ILE 67 Ca -0.06 -1.61 -0.10 0.00 0.00 0.00 0.00 60.65 58.88 2yuv s ILE 67 Cb -0.14 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 2yuv s ILE 67 CO 0.05 -0.09 0.96 0.20 0.00 0.00 0.00 174.94 176.05 2yuv s ASN 68 N 1.14 6.31 -1.04 3.58 0.01 -0.95 -3.09 114.94 120.90 2yuv s ASN 68 Ca -0.07 1.32 -0.01 0.00 -0.71 0.00 0.00 52.86 53.39 2yuv s ASN 68 Cb -0.20 -2.42 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 2yuv s ASN 68 CO -0.04 -0.74 0.88 0.59 -1.51 0.00 0.00 177.10 176.28 2yuv n ASN 69 N -2.39 -2.96 -4.56 -1.22 4.13 -0.62 -4.89 115.26 102.75 2yuv n ASN 69 Ca 0.05 -0.57 -0.40 0.00 1.68 0.00 0.00 54.58 55.34 2yuv n ASN 69 Cb 0.54 -4.66 -0.03 0.00 -1.54 0.00 0.00 39.78 34.10 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 6.43 1.77 0.44 0.00 0.74 -1.26 0.15 119.66 127.92 2yuv s GLN 71 Ca 0.65 -1.93 0.23 0.00 0.05 0.00 0.00 55.36 54.36 2yuv s GLN 71 Cb -0.14 -1.51 1.23 0.00 1.10 0.00 0.00 33.01 33.68 2yuv s GLN 71 CO 0.24 0.06 1.78 0.52 -0.55 0.00 0.00 175.29 177.34 2yuv h MET 72 N 2.04 0.27 0.00 1.67 2.86 -1.88 0.86 114.93 120.76 2yuv h MET 72 Ca -0.42 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.13 2yuv h MET 72 Cb 1.24 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 2yuv h MET 72 CO 0.71 0.18 -0.34 1.79 1.06 0.00 0.00 176.91 180.32 2yuv h THR 73 N 0.28 0.96 0.00 2.22 1.35 -1.96 -2.69 112.91 113.08 2yuv h THR 73 Ca 0.58 -1.29 -0.05 0.00 -0.55 0.00 0.00 66.41 65.10 2yuv h THR 73 Cb 1.69 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.86 2yuv h THR 73 CO -0.22 0.33 -0.63 0.44 -0.25 0.00 0.00 175.52 175.19 2yuv h ASP 74 N 0.00 0.00 -0.60 5.36 3.32 0.36 -3.43 116.42 121.43 2yuv h ASP 74 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 2yuv h ASP 74 Cb 0.73 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2yuv h ASP 74 CO 0.04 0.19 0.35 -0.62 -1.72 0.00 0.00 179.24 177.48 2yuv s ASP 75 N -5.93 4.15 0.27 6.45 2.15 -0.52 -4.87 116.67 118.38 2yuv s ASP 75 Ca 0.03 0.09 0.02 0.00 0.43 0.00 0.00 52.55 53.12 2yuv s ASP 75 Cb 0.07 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 2yuv s ASP 75 CO 0.74 -3.58 0.15 -0.44 -0.17 0.00 0.00 175.17 171.88 2yuv s SER 76 N 10.61 1.19 -0.04 -0.34 0.01 -1.26 -4.97 113.70 118.90 2yuv s SER 76 Ca 0.90 -1.50 -0.28 0.00 1.31 0.00 0.00 55.95 56.38 2yuv s SER 76 Cb -0.13 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 2yuv s SER 76 CO 0.09 -0.86 0.89 -1.83 0.41 0.00 0.00 173.24 171.95 2yuv s GLU 77 N -3.91 4.50 0.14 12.44 -1.05 -1.26 -3.77 118.70 125.79 2yuv s GLU 77 Ca 0.37 1.24 0.07 0.00 -0.15 0.00 0.00 54.97 56.50 2yuv s GLU 77 Cb 0.06 -3.47 -0.04 0.00 -0.44 0.00 0.00 34.13 30.24 2yuv s GLU 77 CO 0.16 -0.05 -0.05 0.71 0.95 0.00 0.00 175.26 176.98 2yuv s TYR 78 N 1.07 2.79 -0.25 4.83 1.51 -0.92 -0.97 117.35 125.41 2yuv s TYR 78 Ca 0.47 -0.15 -0.13 0.00 -1.01 0.00 0.00 57.07 56.25 2yuv s TYR 78 Cb -0.20 -1.40 0.08 0.00 -0.11 0.00 0.00 41.96 40.33 2yuv s TYR 78 CO 0.24 0.48 0.60 1.52 -1.11 0.00 0.00 175.55 177.28 2yuv s TYR 79 N -1.49 -0.95 0.00 2.71 1.13 -1.08 -0.13 117.35 117.55 2yuv s TYR 79 Ca 0.25 1.90 0.03 0.00 -1.41 0.00 0.00 57.07 57.83 2yuv s TYR 79 Cb -0.10 0.54 -0.03 0.00 -1.10 0.00 0.00 41.96 41.26 2yuv s TYR 79 CO 0.16 -0.49 -0.06 0.54 -2.51 0.00 0.00 175.55 173.20 2yuv s VAL 80 N 1.68 3.70 0.02 -3.49 0.11 -0.40 -2.38 120.40 119.65 2yuv s VAL 80 Ca -0.09 -0.76 0.06 0.00 -2.93 0.00 0.00 61.98 58.26 2yuv s VAL 80 Cb -0.07 -2.61 -0.03 0.00 -1.53 0.00 0.00 36.38 32.14 2yuv s VAL 80 CO -0.18 0.39 -0.17 0.42 -3.33 0.00 0.00 175.10 172.24 2yuv s THR 81 N -1.01 2.88 -0.26 5.04 -4.23 -0.99 -1.72 115.64 115.36 2yuv s THR 81 Ca 0.17 -1.08 -0.02 0.00 -1.18 0.00 0.00 61.69 59.58 2yuv s THR 81 Cb -0.11 -2.20 0.15 0.00 1.34 0.00 0.00 72.50 71.68 2yuv s THR 81 CO 0.08 0.38 0.43 0.00 -0.54 0.00 0.00 174.62 174.97 2yuv s ALA 82 N -0.90 -1.38 0.00 3.99 0.00 0.37 -2.78 121.76 121.06 2yuv s ALA 82 Ca 0.14 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2yuv s ALA 82 Cb -0.11 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.18 2yuv s ALA 82 CO 0.05 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.89 2yuv n GLY 83 N 5.38 1.87 0.48 0.00 0.00 -1.26 -2.13 105.19 109.53 2yuv n GLY 83 Ca -0.03 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.09 2yuv n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2yuv n ASP 84 N 10.59 3.02 -4.14 1.61 5.68 -1.26 -5.01 116.55 127.04 2yuv n ASP 84 Ca 0.00 -2.79 -0.09 0.00 -0.50 0.00 0.00 54.79 51.41 2yuv n ASP 84 Cb 0.00 -0.40 -0.10 0.00 -1.14 0.00 0.00 41.12 39.48 2yuv n ASP 84 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2yuv s GLU 85 N -2.38 0.74 -0.01 0.11 0.41 -0.90 -5.00 118.70 111.66 2yuv s GLU 85 Ca 0.31 -1.26 -0.29 0.00 -0.41 0.00 0.00 54.97 53.32 2yuv s GLU 85 Cb 0.25 -0.06 0.08 0.00 -1.78 0.00 0.00 34.13 32.62 2yuv s GLU 85 CO 0.07 -0.05 0.72 -1.59 -0.49 0.00 0.00 175.26 173.92 2yuv s LYS 86 N -3.75 1.03 0.23 1.61 -2.85 -1.26 -0.48 119.74 114.27 2yuv s LYS 86 Ca 0.09 0.02 0.03 0.00 -1.00 0.00 0.00 55.97 55.11 2yuv s LYS 86 Cb 0.05 0.48 -0.05 0.00 -2.06 0.00 0.00 37.83 36.25 2yuv s LYS 86 CO -0.06 -0.37 0.01 0.00 0.10 0.00 0.00 175.35 175.02 2yuv s SER 88 N -3.31 0.53 0.31 0.00 1.04 -1.26 -1.27 113.70 109.74 2yuv s SER 88 Ca 0.29 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 56.34 2yuv s SER 88 Cb 0.06 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 2yuv s SER 88 CO 0.09 -0.18 0.12 0.28 0.98 0.00 0.00 173.24 174.53 2yuv s THR 89 N -1.09 0.58 -0.00 2.02 -1.32 0.82 -4.87 115.64 111.78 2yuv s THR 89 Ca -0.09 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.45 2yuv s THR 89 Cb -0.08 -2.57 -0.02 0.00 -1.51 0.00 0.00 72.50 68.33 2yuv s THR 89 CO -0.00 0.00 -0.19 -0.70 -2.21 0.00 0.00 174.62 171.52 2yuv s GLU 90 N -3.87 1.50 -0.12 7.08 2.12 -1.26 -2.17 118.70 121.98 2yuv s GLU 90 Ca 0.34 -0.73 -0.00 0.00 0.36 0.00 0.00 54.97 54.94 2yuv s GLU 90 Cb 0.06 -1.48 -0.02 0.00 0.26 0.00 0.00 34.13 32.95 2yuv s GLU 90 CO 0.16 0.40 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.99 2yuv s LEU 91 N -0.60 2.81 -0.43 2.70 1.98 -1.25 0.97 118.68 124.86 2yuv s LEU 91 Ca 0.07 -0.27 0.03 0.00 -2.89 0.00 0.00 54.13 51.07 2yuv s LEU 91 Cb -0.08 -1.63 0.12 0.00 0.66 0.00 0.00 46.19 45.27 2yuv s LEU 91 CO -0.00 0.20 0.20 -0.36 -1.89 0.00 0.00 176.35 174.50 2yuv s PHE 92 N 0.15 2.57 -0.29 5.38 0.08 0.22 -4.47 117.98 121.62 2yuv s PHE 92 Ca -0.06 -2.65 -0.16 0.00 0.12 0.00 0.00 56.93 54.18 2yuv s PHE 92 Cb -0.15 -2.30 -0.03 0.00 -0.57 0.00 0.00 43.02 39.97 2yuv s PHE 92 CO 0.04 -0.81 0.41 0.54 -0.10 0.00 0.00 175.22 175.31 2yuv s VAL 93 N 0.39 5.13 0.87 -0.44 0.11 -1.26 -2.15 120.40 123.06 2yuv s VAL 93 Ca 0.15 0.49 -0.12 0.00 -2.93 0.00 0.00 61.98 59.57 2yuv s VAL 93 Cb -0.23 -3.78 0.12 0.00 -1.53 0.00 0.00 36.38 30.96 2yuv s VAL 93 CO -0.04 0.05 1.13 -0.13 -3.33 0.00 0.00 175.10 172.78 2yuv s ARG 94 N 2.14 1.44 -0.27 1.54 0.52 -0.62 -4.54 118.95 119.17 2yuv s ARG 94 Ca 0.16 0.35 -0.07 0.00 -0.52 0.00 0.00 55.73 55.65 2yuv s ARG 94 Cb -0.16 -1.87 0.13 0.00 0.52 0.00 0.00 34.95 33.58 2yuv s ARG 94 CO 0.11 -2.00 0.56 0.45 0.02 0.00 0.00 175.30 174.43 2yuv s SER 95 N -4.06 -0.86 0.00 0.23 0.15 -1.26 -2.06 113.70 105.84 2yuv s SER 95 Ca 0.63 1.18 0.00 0.00 0.70 0.00 0.00 55.95 58.45 2yuv s SER 95 Cb -0.14 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.11 2yuv s SER 95 CO 0.53 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.34 2yuv n GLY 96 N 5.42 1.23 3.55 9.45 0.00 -1.26 -5.08 105.19 118.50 2yuv n GLY 96 Ca -0.08 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 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 1.41 2.66 -0.22 1.61 0.04 -1.26 -4.81 135.00 134.44 2yuv s PRO 97 Ca 0.00 0.64 -0.16 0.00 0.04 0.00 0.00 61.00 61.52 2yuv s PRO 97 Cb 0.00 -4.38 -0.12 0.00 0.04 0.00 0.00 34.50 30.04 2yuv s PRO 97 CO 0.00 -2.69 -0.15 0.43 0.04 0.00 0.00 177.00 174.63 2yuv n SER 98 N 12.63 1.90 -4.35 6.66 7.64 -1.26 -4.83 113.62 132.01 2yuv n SER 98 Ca 0.20 0.41 -0.44 0.00 1.01 0.00 0.00 58.87 60.06 2yuv n SER 98 Cb 0.52 -0.86 -0.08 0.00 -1.01 0.00 0.00 64.21 62.78 2yuv n SER 98 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yuv s SER 99 N -6.73 6.03 0.00 6.43 0.01 -1.26 -5.27 113.70 112.91 2yuv s SER 99 Ca -0.30 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 55.53 2yuv s SER 99 Cb 0.08 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2yuv s SER 99 CO 0.47 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 174.08