#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 6.34 -0.32 1.61 0.01 -1.26 -5.00 113.70 115.09 2yuv s SER 2 Ca 0.00 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.93 2yuv s SER 2 Cb 0.00 -2.44 0.08 0.00 0.21 0.00 0.00 66.02 63.87 2yuv s SER 2 CO 0.00 -1.23 0.02 -0.44 0.41 0.00 0.00 173.24 172.00 2yuv s SER 3 N 2.84 4.81 0.00 2.44 0.01 -1.26 -5.05 113.70 117.49 2yuv s SER 3 Ca 0.31 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.89 2yuv s SER 3 Cb -0.12 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.44 2yuv s SER 3 CO 0.19 -0.32 0.13 0.61 0.41 0.00 0.00 173.24 174.26 2yuv n GLY 4 N 4.47 -1.11 3.62 3.44 0.00 -1.26 -4.14 105.19 110.20 2yuv n GLY 4 Ca -0.07 0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.92 6.45 -0.49 1.61 0.01 -1.26 -4.98 113.70 112.12 2yuv s SER 5 Ca 0.00 1.08 -0.20 0.00 1.31 0.00 0.00 55.95 58.14 2yuv s SER 5 Cb 0.00 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.74 2yuv s SER 5 CO 0.00 -1.29 0.66 -0.94 0.41 0.00 0.00 173.24 172.08 2yuv s SER 6 N 3.62 6.26 0.00 2.44 1.04 -1.26 -4.19 113.70 121.61 2yuv s SER 6 Ca 0.61 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2yuv s SER 6 Cb -0.16 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2yuv s SER 6 CO 0.29 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.23 2yuv n GLY 7 N 5.13 1.06 3.48 7.32 0.00 -1.26 -5.13 105.19 115.79 2yuv n GLY 7 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.60 0.00 4.61 0.00 -1.26 -5.06 121.76 115.46 2yuv s ALA 8 Ca 0.00 2.08 0.00 0.00 0.00 0.00 0.00 51.96 54.04 2yuv s ALA 8 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.17 2yuv s ALA 8 CO 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 175.76 175.03 2yuv n ALA 9 N 4.46 1.91 -3.04 0.00 0.00 -1.26 -4.82 120.51 117.76 2yuv n ALA 9 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.95 2yuv n ALA 9 Cb 0.54 0.30 -0.12 0.00 0.00 0.00 0.00 19.45 20.17 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 -1.71 3.11 -0.10 0.00 0.08 -1.26 -2.80 117.98 115.30 2yuv s PHE 10 Ca 0.00 -0.52 0.16 0.00 0.12 0.00 0.00 56.93 56.69 2yuv s PHE 10 Cb 0.00 -2.26 0.22 0.00 -0.57 0.00 0.00 43.02 40.41 2yuv s PHE 10 CO 0.00 -0.41 1.52 0.00 -0.10 0.00 0.00 175.22 176.23 2yuv h ALA 11 N 8.26 0.75 -1.00 5.36 0.00 -1.57 -3.44 119.26 127.62 2yuv h ALA 11 Ca -0.36 -0.41 0.07 0.00 0.00 0.00 0.00 54.91 54.20 2yuv h ALA 11 Cb 1.16 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 18.67 2yuv h ALA 11 CO 0.59 0.57 -0.31 0.21 0.00 0.00 0.00 179.25 180.30 2yuv s LYS 12 N -3.10 0.57 0.88 0.00 2.47 -1.24 -4.89 119.74 114.43 2yuv s LYS 12 Ca 0.03 0.83 -0.12 0.00 -1.56 0.00 0.00 55.97 55.16 2yuv s LYS 12 Cb 0.08 0.44 0.12 0.00 -1.46 0.00 0.00 37.83 37.01 2yuv s LYS 12 CO 0.73 -0.78 1.12 0.96 0.16 0.00 0.00 175.35 177.53 2yuv s ILE 13 N 2.85 2.36 0.93 5.43 -4.36 -1.26 -2.11 121.20 125.03 2yuv s ILE 13 Ca 0.17 0.12 -0.13 0.00 -0.26 0.00 0.00 60.65 60.55 2yuv s ILE 13 Cb -0.13 -2.84 0.15 0.00 1.25 0.00 0.00 42.46 40.89 2yuv s ILE 13 CO -0.23 -0.15 1.14 -0.76 0.24 0.00 0.00 174.94 175.18 2yuv s LEU 14 N -5.99 1.96 0.77 0.37 1.02 -1.26 -4.94 118.68 110.61 2yuv s LEU 14 Ca 0.63 0.94 -0.11 0.00 0.02 0.00 0.00 54.13 55.61 2yuv s LEU 14 Cb -0.15 -3.23 0.05 0.00 0.02 0.00 0.00 46.19 42.89 2yuv s LEU 14 CO 0.54 -2.65 1.09 -1.81 0.02 0.00 0.00 176.35 173.54 2yuv s ASP 15 N -4.02 4.57 0.18 2.29 1.01 -1.26 -4.92 116.67 114.51 2yuv s ASP 15 Ca 0.64 1.81 0.21 0.00 0.71 0.00 0.00 52.55 55.92 2yuv s ASP 15 Cb -0.14 -2.52 0.87 0.00 1.01 0.00 0.00 42.92 42.13 2yuv s ASP 15 CO 0.54 -1.99 1.63 -0.81 0.21 0.00 0.00 175.17 174.74 2yuv n PRO 16 N -3.50 0.13 -3.64 8.23 -0.04 -1.26 -4.47 135.00 130.46 2yuv n PRO 16 Ca 0.09 0.37 -0.05 0.00 -0.04 0.00 0.00 63.50 63.87 2yuv n PRO 16 Cb 0.53 -1.76 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 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 -3.22 -2.11 0.35 0.55 0.00 -1.26 -3.74 121.76 112.32 2yuv s ALA 17 Ca 0.05 1.76 0.09 0.00 0.00 0.00 0.00 51.96 53.85 2yuv s ALA 17 Cb 0.09 -1.58 -0.06 0.00 0.00 0.00 0.00 23.12 21.58 2yuv s ALA 17 CO 0.35 -0.17 0.02 0.71 0.00 0.00 0.00 175.76 176.67 2yuv s TYR 18 N -0.06 2.54 -0.12 0.00 1.51 0.83 -4.93 117.35 117.13 2yuv s TYR 18 Ca 0.06 -0.46 -0.05 0.00 -1.01 0.00 0.00 57.07 55.61 2yuv s TYR 18 Cb -0.04 -1.53 0.06 0.00 -0.11 0.00 0.00 41.96 40.33 2yuv s TYR 18 CO -0.11 0.46 0.25 -0.65 -1.11 0.00 0.00 175.55 174.39 2yuv s GLN 19 N -3.72 0.17 0.18 -0.62 -0.21 -1.26 -1.93 119.66 112.26 2yuv s GLN 19 Ca 0.35 0.64 -0.02 0.00 0.02 0.00 0.00 55.36 56.35 2yuv s GLN 19 Cb 0.01 -0.09 -0.04 0.00 1.00 0.00 0.00 33.01 33.89 2yuv s GLN 19 CO 0.19 -0.23 0.13 0.54 -2.12 0.00 0.00 175.29 173.80 2yuv s VAL 20 N 1.89 0.03 0.15 1.09 0.11 -1.02 -5.01 120.40 117.64 2yuv s VAL 20 Ca -0.03 -1.94 -0.15 0.00 -2.93 0.00 0.00 61.98 56.92 2yuv s VAL 20 Cb -0.11 -2.36 -0.07 0.00 -1.53 0.00 0.00 36.38 32.31 2yuv s VAL 20 CO -0.08 -0.12 0.56 1.51 -3.33 0.00 0.00 175.10 173.63 2yuv s ASP 21 N -3.12 6.85 0.63 3.54 -4.77 -1.26 -1.79 116.67 116.75 2yuv s ASP 21 Ca 0.34 1.10 -0.18 0.00 -3.30 0.00 0.00 52.55 50.52 2yuv s ASP 21 Cb 0.07 -2.30 -0.12 0.00 -1.09 0.00 0.00 42.92 39.47 2yuv s ASP 21 CO 0.09 0.11 -0.06 1.17 0.70 0.00 0.00 175.17 177.18 2yuv n LYS 22 N 0.85 0.11 -1.83 2.11 0.00 0.05 -0.16 118.16 119.28 2yuv n LYS 22 Ca -0.05 0.05 -0.01 0.00 0.00 0.00 0.00 58.31 58.29 2yuv n LYS 22 Cb 0.52 -1.21 -0.00 0.00 0.00 0.00 0.00 35.03 34.33 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 2.45 -0.22 0.00 3.14 0.00 0.13 -4.82 105.19 105.88 2yuv n GLY 23 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.30 1.72 2.93 -0.02 0.00 0.77 -4.32 105.19 105.98 2yuv n GLY 24 Ca -0.01 -1.74 -0.14 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 3.72 0.10 0.36 1.61 3.52 -1.26 -1.52 118.95 125.48 2yuv s ARG 25 Ca 0.00 0.41 0.07 0.00 -0.13 0.00 0.00 55.73 56.08 2yuv s ARG 25 Cb 0.00 -0.18 -0.00 0.00 -1.56 0.00 0.00 34.95 33.20 2yuv s ARG 25 CO 0.00 -0.18 0.49 0.14 -0.81 0.00 0.00 175.30 174.94 2yuv s VAL 26 N 1.31 3.71 -0.08 7.11 -7.23 -1.03 -4.88 120.40 119.30 2yuv s VAL 26 Ca -0.08 -1.02 0.03 0.00 -1.81 0.00 0.00 61.98 59.10 2yuv s VAL 26 Cb -0.12 -3.27 0.01 0.00 0.56 0.00 0.00 36.38 33.56 2yuv s VAL 26 CO -0.06 -0.11 -0.17 -0.60 -0.31 0.00 0.00 175.10 173.85 2yuv s ARG 27 N -4.22 2.23 -0.21 4.82 3.52 -1.26 -3.28 118.95 120.56 2yuv s ARG 27 Ca 0.48 -0.59 -0.04 0.00 -0.13 0.00 0.00 55.73 55.45 2yuv s ARG 27 Cb -0.09 -1.78 0.07 0.00 -1.56 0.00 0.00 34.95 31.59 2yuv s ARG 27 CO 0.31 0.06 0.09 -0.06 -0.81 0.00 0.00 175.30 174.89 2yuv s PHE 28 N 0.62 0.46 0.05 5.12 0.08 0.11 -4.99 117.98 119.43 2yuv s PHE 28 Ca -0.15 -0.61 0.04 0.00 0.12 0.00 0.00 56.93 56.33 2yuv s PHE 28 Cb -0.16 -0.85 -0.02 0.00 -0.57 0.00 0.00 43.02 41.41 2yuv s PHE 28 CO 0.04 -0.61 -0.11 0.54 -0.10 0.00 0.00 175.22 174.98 2yuv s VAL 29 N 2.05 0.81 0.02 -0.44 0.11 -1.26 0.23 120.40 121.92 2yuv s VAL 29 Ca 0.03 -1.06 -0.02 0.00 -2.93 0.00 0.00 61.98 58.00 2yuv s VAL 29 Cb -0.16 -0.80 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2yuv s VAL 29 CO -0.15 -0.22 0.01 0.68 -3.33 0.00 0.00 175.10 172.09 2yuv s VAL 30 N -1.14 0.12 0.21 2.04 -7.23 -0.87 -4.55 120.40 108.99 2yuv s VAL 30 Ca -0.04 -1.03 0.03 0.00 -1.81 0.00 0.00 61.98 59.13 2yuv s VAL 30 Cb -0.09 -0.54 -0.03 0.00 0.56 0.00 0.00 36.38 36.27 2yuv s VAL 30 CO 0.01 -0.56 0.36 -0.70 -0.31 0.00 0.00 175.10 173.89 2yuv s GLU 31 N -1.94 3.46 -0.09 4.82 2.12 -0.90 -2.01 118.70 124.16 2yuv s GLU 31 Ca -0.11 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.64 2yuv s GLU 31 Cb -0.06 -2.89 0.02 0.00 0.26 0.00 0.00 34.13 31.46 2yuv s GLU 31 CO -0.02 0.43 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.55 2yuv s LEU 32 N -3.61 1.22 0.55 2.70 1.43 -1.17 -1.56 118.68 118.25 2yuv s LEU 32 Ca 0.36 -0.26 0.37 0.00 -1.03 0.00 0.00 54.13 53.56 2yuv s LEU 32 Cb -0.10 -0.75 1.55 0.00 0.03 0.00 0.00 46.19 46.91 2yuv s LEU 32 CO 0.29 -0.09 1.80 0.00 0.23 0.00 0.00 176.35 178.58 2yuv h ALA 33 N 7.85 3.12 -2.46 4.21 0.00 -1.82 -3.41 119.26 126.75 2yuv h ALA 33 Ca -0.30 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 2yuv h ALA 33 Cb 1.14 0.09 -0.20 0.00 0.00 0.00 0.00 17.79 18.82 2yuv h ALA 33 CO 0.41 -1.47 -0.18 -0.51 0.00 0.00 0.00 179.25 177.49 2yuv s ASP 34 N -5.12 -0.31 0.51 0.00 1.11 -1.26 -5.04 116.67 106.56 2yuv s ASP 34 Ca -0.05 0.32 0.30 0.00 0.18 0.00 0.00 52.55 53.30 2yuv s ASP 34 Cb 0.23 0.44 1.25 0.00 1.07 0.00 0.00 42.92 45.91 2yuv s ASP 34 CO 0.80 -0.43 1.95 1.55 1.18 0.00 0.00 175.17 180.22 2yuv h PRO 35 N 3.97 0.00 -0.82 8.23 0.13 -1.97 -3.08 132.00 138.46 2yuv h PRO 35 Ca -0.29 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.86 2yuv h PRO 35 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2yuv h PRO 35 CO 0.37 0.10 0.53 0.87 -0.23 0.00 0.00 178.00 179.64 2yuv h LYS 36 N 0.00 1.03 -7.04 0.86 1.57 -1.96 -3.43 116.57 107.59 2yuv h LYS 36 Ca -0.00 -0.06 -0.55 0.00 -1.87 0.00 0.00 60.65 58.17 2yuv h LYS 36 Cb 0.56 -0.23 0.18 0.00 0.08 0.00 0.00 32.23 32.82 2yuv h LYS 36 CO 0.01 0.68 0.18 1.28 -0.57 0.00 0.00 179.45 181.03 2yuv n LEU 37 N -4.55 3.80 -4.61 2.94 4.77 -1.17 -5.02 117.00 113.16 2yuv n LEU 37 Ca 0.09 0.63 -0.31 0.00 -0.03 0.00 0.00 56.01 56.39 2yuv n LEU 37 Cb 0.06 -1.44 -0.10 0.00 -2.33 0.00 0.00 43.42 39.61 2yuv n LEU 37 CO 0.35 -1.94 -0.38 -0.70 -1.33 0.00 0.00 177.39 173.39 2yuv s GLU 38 N -3.64 2.42 0.09 3.23 2.56 -1.26 -5.01 118.70 117.09 2yuv s GLU 38 Ca 0.73 -0.84 0.07 0.00 0.00 0.00 0.00 54.97 54.92 2yuv s GLU 38 Cb -0.32 -2.45 -0.04 0.00 2.00 0.00 0.00 34.13 33.32 2yuv s GLU 38 CO 0.51 0.56 -0.09 0.14 -0.56 0.00 0.00 175.26 175.81 2yuv s VAL 39 N -1.14 3.41 -0.14 3.70 -7.23 -1.26 -3.99 120.40 113.75 2yuv s VAL 39 Ca 0.20 -1.19 -0.06 0.00 -1.81 0.00 0.00 61.98 59.12 2yuv s VAL 39 Cb -0.11 -2.58 0.06 0.00 0.56 0.00 0.00 36.38 34.32 2yuv s VAL 39 CO 0.12 0.16 0.31 -0.54 -0.31 0.00 0.00 175.10 174.83 2yuv s LYS 40 N -2.08 0.23 -0.07 4.82 1.02 -1.05 -4.97 119.74 117.64 2yuv s LYS 40 Ca 0.21 0.76 -0.12 0.00 0.02 0.00 0.00 55.97 56.84 2yuv s LYS 40 Cb -0.11 0.02 -0.05 0.00 -0.52 0.00 0.00 37.83 37.17 2yuv s LYS 40 CO 0.13 -0.23 0.29 -1.58 -0.92 0.00 0.00 175.35 173.04 2yuv s TRP 41 N 2.05 3.64 0.04 3.18 0.52 -1.26 -2.21 118.94 124.90 2yuv s TRP 41 Ca -0.03 0.76 0.02 0.00 0.02 0.00 0.00 56.10 56.88 2yuv s TRP 41 Cb -0.11 -2.16 -0.02 0.00 -1.15 0.00 0.00 33.47 30.02 2yuv s TRP 41 CO -0.10 0.62 -0.08 0.71 0.02 0.00 0.00 176.95 178.13 2yuv s TYR 42 N -0.85 0.69 -0.30 -1.98 2.02 -1.06 -1.15 117.35 114.73 2yuv s TYR 42 Ca 0.19 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.41 2yuv s TYR 42 Cb -0.14 -0.41 0.10 0.00 -0.40 0.00 0.00 41.96 41.10 2yuv s TYR 42 CO 0.09 -0.07 0.09 0.21 -1.57 0.00 0.00 175.55 174.30 2yuv s LYS 43 N -1.50 0.69 -0.62 -0.62 2.20 0.82 -3.09 119.74 117.61 2yuv s LYS 43 Ca -0.09 -0.98 -0.03 0.00 -0.36 0.00 0.00 55.97 54.52 2yuv s LYS 43 Cb -0.10 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.28 2yuv s LYS 43 CO 0.00 -0.95 0.35 0.09 -0.36 0.00 0.00 175.35 174.49 2yuv n ASN 44 N 4.89 -3.62 -0.82 1.43 4.13 -1.25 -3.36 115.26 116.65 2yuv n ASN 44 Ca -0.03 -0.16 -0.05 0.00 1.68 0.00 0.00 54.58 56.02 2yuv n ASN 44 Cb 0.42 -2.39 0.01 0.00 -1.54 0.00 0.00 39.78 36.28 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 -1.10 0.41 3.00 7.41 0.00 -1.26 -5.05 105.19 108.61 2yuv n GLY 45 Ca -0.03 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.74 0.16 0.31 1.61 0.74 -1.21 -5.14 119.66 111.39 2yuv s GLN 46 Ca 0.06 0.32 -0.29 0.00 0.05 0.00 0.00 55.36 55.50 2yuv s GLN 46 Cb -0.03 -0.03 -0.11 0.00 1.10 0.00 0.00 33.01 33.95 2yuv s GLN 46 CO 0.08 -0.09 1.50 -2.00 -0.55 0.00 0.00 175.29 174.23 2yuv s GLU 47 N 0.62 4.17 -0.17 1.67 2.12 -1.26 -0.12 118.70 125.72 2yuv s GLU 47 Ca -0.04 2.49 -0.13 0.00 0.36 0.00 0.00 54.97 57.64 2yuv s GLU 47 Cb -0.06 -3.03 -0.05 0.00 0.26 0.00 0.00 34.13 31.26 2yuv s GLU 47 CO -0.03 -0.52 0.27 0.42 -0.54 0.00 0.00 175.26 174.86 2yuv s ILE 48 N -0.46 5.32 -0.06 -3.70 1.01 -0.30 -4.82 121.20 118.19 2yuv s ILE 48 Ca 0.58 0.48 -0.05 0.00 0.00 0.00 0.00 60.65 61.66 2yuv s ILE 48 Cb -0.46 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2yuv s ILE 48 CO 0.52 0.39 0.17 0.00 0.00 0.00 0.00 174.94 176.03 2yuv s ARG 49 N 0.52 3.46 0.03 2.79 1.70 -1.26 -4.80 118.95 121.38 2yuv s ARG 49 Ca 0.15 -0.20 -0.30 0.00 -0.47 0.00 0.00 55.73 54.90 2yuv s ARG 49 Cb -0.13 -3.14 -0.06 0.00 -0.57 0.00 0.00 34.95 31.05 2yuv s ARG 49 CO 0.03 0.72 1.43 -1.25 -1.08 0.00 0.00 175.30 175.15 2yuv s PRO 50 N -1.51 4.28 0.28 3.89 0.04 -1.26 -4.67 135.00 136.05 2yuv s PRO 50 Ca 0.22 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 63.08 2yuv s PRO 50 Cb -0.12 -3.53 0.03 0.00 0.04 0.00 0.00 34.50 30.92 2yuv s PRO 50 CO 0.12 -0.57 0.76 0.45 0.04 0.00 0.00 177.00 177.80 2yuv s SER 51 N 1.83 -0.20 0.56 6.66 0.15 -0.78 -4.94 113.70 116.97 2yuv s SER 51 Ca 0.65 -0.68 0.50 0.00 0.70 0.00 0.00 55.95 57.13 2yuv s SER 51 Cb -0.33 0.72 1.73 0.00 -1.71 0.00 0.00 66.02 66.43 2yuv s SER 51 CO 0.28 -1.36 1.56 0.35 1.20 0.00 0.00 173.24 175.27 2yuv n THR 52 N -0.48 0.00 -0.01 6.45 -2.24 -1.26 0.12 114.28 116.86 2yuv n THR 52 Ca -0.05 1.49 -0.17 0.00 -2.27 0.00 0.00 64.05 63.05 2yuv n THR 52 Cb 0.59 -2.48 -0.14 0.00 -2.10 0.00 0.00 70.33 66.20 2yuv n THR 52 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2yuv h LYS 53 N 0.00 0.15 -4.84 -0.78 3.64 -1.93 -3.44 116.57 109.37 2yuv h LYS 53 Ca 0.94 -0.25 -0.66 0.00 -1.27 0.00 0.00 60.65 59.41 2yuv h LYS 53 Cb 3.79 0.09 -0.19 0.00 -0.41 0.00 0.00 32.23 35.51 2yuv h LYS 53 CO -0.01 1.11 -0.53 0.71 -2.27 0.00 0.00 179.45 178.46 2yuv s TYR 54 N -2.38 3.20 -0.30 1.91 2.02 0.31 -2.36 117.35 119.75 2yuv s TYR 54 Ca -0.16 -0.14 -0.09 0.00 -0.37 0.00 0.00 57.07 56.31 2yuv s TYR 54 Cb -0.01 -2.38 -0.01 0.00 -0.40 0.00 0.00 41.96 39.16 2yuv s TYR 54 CO 0.76 -0.28 0.13 0.42 -1.57 0.00 0.00 175.55 175.01 2yuv s ILE 55 N 1.71 4.46 -0.24 2.71 -1.09 -0.53 -1.87 121.20 126.34 2yuv s ILE 55 Ca 0.06 -0.44 -0.10 0.00 -2.23 0.00 0.00 60.65 57.94 2yuv s ILE 55 Cb -0.16 -3.26 -0.05 0.00 -1.58 0.00 0.00 42.46 37.41 2yuv s ILE 55 CO 0.09 0.10 0.15 -0.36 -1.23 0.00 0.00 174.94 173.69 2yuv s PHE 56 N 1.59 3.28 -0.02 3.97 0.40 -1.26 -2.13 117.98 123.81 2yuv s PHE 56 Ca 0.04 0.16 0.02 0.00 -0.60 0.00 0.00 56.93 56.56 2yuv s PHE 56 Cb -0.17 -2.27 0.00 0.00 0.51 0.00 0.00 43.02 41.09 2yuv s PHE 56 CO 0.05 0.01 -0.08 -1.21 0.70 0.00 0.00 175.22 174.69 2yuv s GLU 57 N 1.16 0.84 -0.21 0.44 2.02 -1.03 -4.99 118.70 116.93 2yuv s GLU 57 Ca 0.07 -0.27 -0.03 0.00 0.02 0.00 0.00 54.97 54.75 2yuv s GLU 57 Cb -0.14 -0.80 -0.01 0.00 0.10 0.00 0.00 34.13 33.29 2yuv s GLU 57 CO 0.05 0.11 -0.06 -1.58 0.02 0.00 0.00 175.26 173.80 2yuv s HIS 58 N 0.15 2.94 -0.40 1.61 2.46 -1.26 -0.46 115.29 120.33 2yuv s HIS 58 Ca -0.02 -0.95 0.02 0.00 0.47 0.00 0.00 55.06 54.57 2yuv s HIS 58 Cb -0.07 -2.07 0.12 0.00 -0.13 0.00 0.00 32.58 30.43 2yuv s HIS 58 CO 0.00 -0.53 0.19 0.15 -2.47 0.00 0.00 174.74 172.08 2yuv s LYS 59 N 1.37 1.21 0.00 2.88 -0.14 0.27 -4.95 119.74 120.38 2yuv s LYS 59 Ca 0.05 -1.81 0.00 0.00 -1.36 0.00 0.00 55.97 52.85 2yuv s LYS 59 Cb -0.14 -2.39 0.00 0.00 -1.68 0.00 0.00 37.83 33.62 2yuv s LYS 59 CO -0.03 -1.10 0.00 0.41 -0.76 0.00 0.00 175.35 173.87 2yuv n GLY 60 N 3.89 0.00 3.87 -3.33 0.00 -1.26 -2.36 105.19 106.01 2yuv n GLY 60 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -6.40 0.31 -0.43 0.00 0.74 -1.00 -3.03 119.66 109.85 2yuv s GLN 62 Ca 0.28 0.62 -0.14 0.00 0.05 0.00 0.00 55.36 56.17 2yuv s GLN 62 Cb -0.14 -0.35 0.05 0.00 1.10 0.00 0.00 33.01 33.67 2yuv s GLN 62 CO 0.85 -0.54 0.32 1.03 -0.55 0.00 0.00 175.29 176.40 2yuv s ARG 63 N 2.53 2.90 0.23 1.67 1.81 -0.85 -0.56 118.95 126.67 2yuv s ARG 63 Ca 0.08 -1.23 -0.02 0.00 -1.72 0.00 0.00 55.73 52.84 2yuv s ARG 63 Cb -0.14 -3.98 -0.05 0.00 -0.45 0.00 0.00 34.95 30.33 2yuv s ARG 63 CO -0.14 -0.89 0.45 0.42 -0.68 0.00 0.00 175.30 174.46 2yuv s ILE 64 N 1.61 5.14 -0.13 1.52 1.01 0.39 -2.05 121.20 128.68 2yuv s ILE 64 Ca 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 2yuv s ILE 64 Cb -0.22 -3.73 0.06 0.00 0.01 0.00 0.00 42.46 38.58 2yuv s ILE 64 CO 0.07 -0.23 0.30 -0.22 0.00 0.00 0.00 174.94 174.87 2yuv s LEU 65 N -3.40 0.02 -0.09 2.97 1.98 0.64 -2.47 118.68 118.32 2yuv s LEU 65 Ca 0.40 0.67 0.04 0.00 -2.89 0.00 0.00 54.13 52.35 2yuv s LEU 65 Cb -0.11 0.92 -0.01 0.00 0.66 0.00 0.00 46.19 47.65 2yuv s LEU 65 CO 0.29 -0.20 -0.23 -0.36 -1.89 0.00 0.00 176.35 173.97 2yuv s PHE 66 N 1.72 2.55 -0.28 5.38 0.08 -0.91 0.09 117.98 126.61 2yuv s PHE 66 Ca -0.06 -0.86 0.02 0.00 0.12 0.00 0.00 56.93 56.15 2yuv s PHE 66 Cb -0.11 -1.68 0.06 0.00 -0.57 0.00 0.00 43.02 40.73 2yuv s PHE 66 CO -0.10 -0.30 -0.06 0.42 -0.10 0.00 0.00 175.22 175.08 2yuv s ILE 67 N 0.12 2.40 0.64 0.64 1.01 -1.20 -1.45 121.20 123.35 2yuv s ILE 67 Ca -0.12 -1.68 -0.06 0.00 0.00 0.00 0.00 60.65 58.80 2yuv s ILE 67 Cb -0.16 -2.46 0.03 0.00 0.01 0.00 0.00 42.46 39.89 2yuv s ILE 67 CO 0.06 -0.13 0.95 0.20 0.00 0.00 0.00 174.94 176.02 2yuv s ASN 68 N 1.13 5.23 -1.07 3.58 0.01 -0.99 -2.46 114.94 120.36 2yuv s ASN 68 Ca -0.05 0.58 -0.04 0.00 -0.71 0.00 0.00 52.86 52.63 2yuv s ASN 68 Cb -0.20 -1.41 0.00 0.00 0.41 0.00 0.00 41.25 40.06 2yuv s ASN 68 CO -0.04 -1.31 0.92 0.59 -1.51 0.00 0.00 177.10 175.74 2yuv n ASN 69 N -2.73 -3.93 -4.55 -1.22 4.13 -0.58 -4.88 115.26 101.50 2yuv n ASN 69 Ca 0.06 -0.48 -0.37 0.00 1.68 0.00 0.00 54.58 55.46 2yuv n ASN 69 Cb 0.59 -4.33 -0.03 0.00 -1.54 0.00 0.00 39.78 34.47 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 7.31 3.57 0.58 0.00 2.00 -1.26 0.19 119.66 132.04 2yuv s GLN 71 Ca 0.74 -0.17 0.28 0.00 -2.00 0.00 0.00 55.36 54.20 2yuv s GLN 71 Cb -0.13 -2.93 1.54 0.00 0.80 0.00 0.00 33.01 32.28 2yuv s GLN 71 CO 0.21 0.53 2.01 1.98 -0.50 0.00 0.00 175.29 179.52 2yuv h MET 72 N 3.06 0.00 0.00 1.67 1.85 -1.89 0.17 114.93 119.78 2yuv h MET 72 Ca -0.46 0.00 -0.21 0.00 -0.61 0.00 0.00 59.70 58.41 2yuv h MET 72 Cb 1.17 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 33.16 2yuv h MET 72 CO 0.73 0.00 -1.23 1.79 -0.40 0.00 0.00 176.91 177.80 2yuv h THR 73 N 0.00 1.11 -0.10 -0.77 1.35 -1.93 -3.32 112.91 109.26 2yuv h THR 73 Ca 0.16 -2.78 -0.16 0.00 -0.55 0.00 0.00 66.41 63.08 2yuv h THR 73 Cb 0.83 2.51 -0.01 0.00 -1.73 0.00 0.00 68.15 69.76 2yuv h THR 73 CO -0.00 0.63 -0.61 0.44 -0.25 0.00 0.00 175.52 175.73 2yuv h ASP 74 N 0.00 0.39 0.00 5.36 3.32 -1.08 -3.44 116.42 120.97 2yuv h ASP 74 Ca -0.12 -0.23 -0.52 0.00 0.02 0.00 0.00 57.03 56.18 2yuv h ASP 74 Cb 1.77 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 41.14 2yuv h ASP 74 CO 0.09 0.91 1.41 -0.90 -1.72 0.00 0.00 179.24 179.03 2yuv n ASP 75 N -3.89 0.39 -4.24 6.45 5.75 -0.67 -4.86 116.55 115.49 2yuv n ASP 75 Ca -0.03 0.31 -0.15 0.00 -0.01 0.00 0.00 54.79 54.91 2yuv n ASP 75 Cb 0.63 -0.80 -0.10 0.00 -1.03 0.00 0.00 41.12 39.82 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 7.00 0.83 -0.16 -1.12 0.15 -1.26 -4.94 113.70 114.21 2yuv s SER 76 Ca 1.15 -1.40 -0.22 0.00 0.70 0.00 0.00 55.95 56.17 2yuv s SER 76 Cb -1.18 0.26 -0.03 0.00 -1.71 0.00 0.00 66.02 63.37 2yuv s SER 76 CO 0.48 -0.79 0.67 -0.70 1.20 0.00 0.00 173.24 174.11 2yuv s GLU 77 N -4.06 4.29 -0.05 5.44 -6.30 -1.26 -3.24 118.70 113.52 2yuv s GLU 77 Ca 0.38 0.74 0.00 0.00 -2.50 0.00 0.00 54.97 53.59 2yuv s GLU 77 Cb 0.07 -3.54 -0.03 0.00 0.00 0.00 0.00 34.13 30.63 2yuv s GLU 77 CO 0.13 -0.16 -0.01 0.71 0.02 0.00 0.00 175.26 175.95 2yuv s TYR 78 N 1.63 3.08 -0.03 5.30 1.51 -0.85 -3.79 117.35 124.20 2yuv s TYR 78 Ca 0.32 0.12 -0.01 0.00 -1.01 0.00 0.00 57.07 56.48 2yuv s TYR 78 Cb -0.16 -1.72 0.02 0.00 -0.11 0.00 0.00 41.96 39.98 2yuv s TYR 78 CO 0.12 0.44 0.07 1.52 -1.11 0.00 0.00 175.55 176.59 2yuv s TYR 79 N -0.96 -0.05 0.07 2.71 1.13 -1.18 -0.11 117.35 118.96 2yuv s TYR 79 Ca 0.16 0.21 0.06 0.00 -1.41 0.00 0.00 57.07 56.09 2yuv s TYR 79 Cb -0.11 -0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.63 2yuv s TYR 79 CO 0.05 -0.08 -0.10 0.54 -2.51 0.00 0.00 175.55 173.46 2yuv s VAL 80 N 0.60 3.41 -0.02 -3.49 0.11 -0.81 -2.57 120.40 117.63 2yuv s VAL 80 Ca -0.05 -1.12 0.08 0.00 -2.93 0.00 0.00 61.98 57.96 2yuv s VAL 80 Cb -0.07 -2.55 -0.02 0.00 -1.53 0.00 0.00 36.38 32.21 2yuv s VAL 80 CO -0.02 0.21 -0.25 0.42 -3.33 0.00 0.00 175.10 172.12 2yuv s THR 81 N -1.13 2.11 -0.24 5.04 -4.23 -0.94 -2.08 115.64 114.17 2yuv s THR 81 Ca 0.20 -1.09 -0.03 0.00 -1.18 0.00 0.00 61.69 59.59 2yuv s THR 81 Cb -0.11 -1.73 0.13 0.00 1.34 0.00 0.00 72.50 72.13 2yuv s THR 81 CO 0.11 0.58 0.37 0.00 -0.54 0.00 0.00 174.62 175.14 2yuv s ALA 82 N -0.62 -1.02 0.00 3.99 0.00 -0.16 -2.53 121.76 121.41 2yuv s ALA 82 Ca 0.10 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2yuv s ALA 82 Cb -0.10 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.39 2yuv s ALA 82 CO -0.01 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 174.92 2yuv n GLY 83 N 5.36 1.44 0.40 0.00 0.00 -1.26 -1.64 105.19 109.50 2yuv n GLY 83 Ca -0.04 0.18 0.06 0.00 0.00 0.00 0.00 46.02 46.22 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 11.33 2.77 -4.36 1.61 8.00 -1.26 -5.01 116.55 129.62 2yuv n ASP 84 Ca 0.00 -2.46 -0.21 0.00 0.71 0.00 0.00 54.79 52.82 2yuv n ASP 84 Cb 0.00 -0.28 -0.11 0.00 -0.02 0.00 0.00 41.12 40.71 2yuv n ASP 84 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2yuv s GLU 85 N -1.81 1.36 -0.24 -1.24 0.41 -0.65 -5.02 118.70 111.51 2yuv s GLU 85 Ca 0.23 -1.52 -0.26 0.00 -0.41 0.00 0.00 54.97 53.01 2yuv s GLU 85 Cb 0.17 -1.35 0.08 0.00 -1.78 0.00 0.00 34.13 31.24 2yuv s GLU 85 CO 0.07 0.26 0.75 -1.59 -0.49 0.00 0.00 175.26 174.26 2yuv s LYS 86 N -3.15 0.83 0.34 1.61 -2.85 -1.26 -0.99 119.74 114.27 2yuv s LYS 86 Ca 0.20 0.84 0.03 0.00 -1.00 0.00 0.00 55.97 56.05 2yuv s LYS 86 Cb -0.04 0.40 -0.05 0.00 -2.06 0.00 0.00 37.83 36.08 2yuv s LYS 86 CO 0.08 -0.13 0.09 0.00 0.10 0.00 0.00 175.35 175.49 2yuv s SER 88 N -3.49 -0.05 0.08 0.00 1.04 -1.26 -1.91 113.70 108.11 2yuv s SER 88 Ca 0.33 -0.27 -0.01 0.00 0.48 0.00 0.00 55.95 56.48 2yuv s SER 88 Cb 0.07 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 2yuv s SER 88 CO 0.15 -0.58 -0.00 0.28 0.98 0.00 0.00 173.24 174.06 2yuv s THR 89 N -2.54 0.21 -0.16 2.02 -1.32 0.84 -4.83 115.64 109.87 2yuv s THR 89 Ca -0.05 -1.86 -0.02 0.00 -1.21 0.00 0.00 61.69 58.56 2yuv s THR 89 Cb -0.01 -1.73 -0.01 0.00 -1.51 0.00 0.00 72.50 69.24 2yuv s THR 89 CO -0.03 -0.79 -0.10 -1.61 -2.21 0.00 0.00 174.62 169.87 2yuv s GLU 90 N -3.96 3.41 -0.15 7.08 8.01 -1.25 -2.01 118.70 129.84 2yuv s GLU 90 Ca 0.14 -0.65 -0.13 0.00 0.01 0.00 0.00 54.97 54.34 2yuv s GLU 90 Cb 0.08 -2.77 -0.05 0.00 -4.31 0.00 0.00 34.13 27.08 2yuv s GLU 90 CO -0.05 0.10 0.27 -1.17 0.01 0.00 0.00 175.26 174.42 2yuv s LEU 91 N 0.66 4.27 -0.39 1.80 1.98 -1.20 -0.12 118.68 125.69 2yuv s LEU 91 Ca -0.05 0.51 0.02 0.00 -2.89 0.00 0.00 54.13 51.71 2yuv s LEU 91 Cb -0.15 -2.33 0.12 0.00 0.66 0.00 0.00 46.19 44.49 2yuv s LEU 91 CO 0.02 0.16 0.17 -0.36 -1.89 0.00 0.00 176.35 174.46 2yuv s PHE 92 N 0.17 2.19 -0.39 5.38 0.08 -0.81 -4.36 117.98 120.24 2yuv s PHE 92 Ca 0.16 -2.34 -0.16 0.00 0.12 0.00 0.00 56.93 54.71 2yuv s PHE 92 Cb -0.13 -2.03 0.01 0.00 -0.57 0.00 0.00 43.02 40.30 2yuv s PHE 92 CO 0.04 -0.83 0.36 0.54 -0.10 0.00 0.00 175.22 175.23 2yuv s VAL 93 N 0.75 5.17 0.34 -0.44 0.11 -1.26 -2.42 120.40 122.64 2yuv s VAL 93 Ca 0.14 -0.28 -0.28 0.00 -2.93 0.00 0.00 61.98 58.64 2yuv s VAL 93 Cb -0.22 -3.91 -0.09 0.00 -1.53 0.00 0.00 36.38 30.62 2yuv s VAL 93 CO -0.08 -0.25 1.16 -0.13 -3.33 0.00 0.00 175.10 172.46 2yuv s ARG 94 N 1.96 4.37 -0.21 1.54 0.52 -0.74 -4.32 118.95 122.08 2yuv s ARG 94 Ca 0.10 1.88 -0.04 0.00 -0.52 0.00 0.00 55.73 57.15 2yuv s ARG 94 Cb -0.17 -2.96 0.07 0.00 0.52 0.00 0.00 34.95 32.40 2yuv s ARG 94 CO 0.12 -0.05 0.08 0.45 0.02 0.00 0.00 175.30 175.91 2yuv s SER 95 N -0.92 2.83 0.06 0.23 0.15 -1.26 -0.77 113.70 114.01 2yuv s SER 95 Ca 0.50 -0.86 0.06 0.00 0.70 0.00 0.00 55.95 56.35 2yuv s SER 95 Cb -0.32 -0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 63.55 2yuv s SER 95 CO 0.42 -0.36 -0.17 -0.83 1.20 0.00 0.00 173.24 173.51 2yuv s GLY 96 N 2.01 0.96 0.30 9.45 0.00 -1.26 -5.08 107.32 113.69 2yuv s GLY 96 Ca 0.03 -1.00 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 2yuv s GLY 96 CO -0.14 -0.98 1.24 2.56 0.00 0.00 0.00 173.10 175.77 2yuv s PRO 97 N -1.47 4.46 0.25 2.90 0.04 -1.26 -5.04 135.00 134.88 2yuv s PRO 97 Ca 0.03 2.06 -0.06 0.00 0.04 0.00 0.00 61.00 63.06 2yuv s PRO 97 Cb -0.09 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 2yuv s PRO 97 CO 0.02 -0.06 0.35 -1.54 0.04 0.00 0.00 177.00 175.81 2yuv s SER 98 N -0.50 0.22 -0.26 6.66 1.04 -1.26 -5.18 113.70 114.42 2yuv s SER 98 Ca 0.48 -1.21 -0.25 0.00 0.48 0.00 0.00 55.95 55.45 2yuv s SER 98 Cb -0.37 0.53 0.10 0.00 0.10 0.00 0.00 66.02 66.38 2yuv s SER 98 CO 0.47 -1.06 0.87 -0.44 0.98 0.00 0.00 173.24 174.06 2yuv s SER 99 N -3.12 -0.60 0.00 7.02 0.01 -1.26 -5.35 113.70 110.40 2yuv s SER 99 Ca 0.30 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.68 2yuv s SER 99 Cb 0.02 1.13 0.00 0.00 0.21 0.00 0.00 66.02 67.38 2yuv s SER 99 CO 0.13 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.17