#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 3.30 -0.08 1.61 0.01 -1.26 -4.99 113.70 112.29 2yuv s SER 2 Ca 0.00 1.62 -0.24 0.00 1.31 0.00 0.00 55.95 58.64 2yuv s SER 2 Cb 0.00 -2.27 -0.29 0.00 0.21 0.00 0.00 66.02 63.66 2yuv s SER 2 CO 0.00 -2.76 0.83 -1.28 0.41 0.00 0.00 173.24 170.44 2yuv h SER 3 N -1.64 0.32 -1.40 2.44 0.87 -2.12 -3.36 113.55 108.67 2yuv h SER 3 Ca -0.49 -0.96 -0.65 0.00 -1.23 0.00 0.00 61.79 58.46 2yuv h SER 3 Cb 1.28 -0.11 -0.35 0.00 -0.44 0.00 0.00 62.40 62.78 2yuv h SER 3 CO 0.52 1.30 0.08 0.61 -0.53 0.00 0.00 176.83 178.80 2yuv n GLY 4 N 1.65 5.93 0.22 5.77 0.00 -1.26 -4.80 105.19 112.70 2yuv n GLY 4 Ca -0.14 -2.58 -0.01 0.00 0.00 0.00 0.00 46.02 43.29 2yuv n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2yuv h SER 5 N 2.51 -0.44 -4.29 1.61 4.64 -1.97 -3.41 113.55 112.19 2yuv h SER 5 Ca 0.45 0.16 -0.51 0.00 -0.47 0.00 0.00 61.79 61.42 2yuv h SER 5 Cb 0.77 0.32 -0.22 0.00 -0.31 0.00 0.00 62.40 62.95 2yuv h SER 5 CO 1.14 -0.16 -0.81 -0.55 -0.87 0.00 0.00 176.83 175.58 2yuv s SER 6 N -5.23 2.21 0.00 4.97 0.15 -1.26 -5.07 113.70 109.47 2yuv s SER 6 Ca -0.14 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 55.89 2yuv s SER 6 Cb 0.18 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 2yuv s SER 6 CO 0.73 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.81 2yuv n GLY 7 N 1.31 -0.03 3.00 9.45 0.00 -1.26 -5.04 105.19 112.61 2yuv n GLY 7 Ca -0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.12 -0.93 0.21 4.61 0.00 -1.26 -4.87 120.51 116.15 2yuv n ALA 8 Ca 0.00 0.29 0.18 0.00 0.00 0.00 0.00 53.44 53.91 2yuv n ALA 8 Cb 0.00 -4.03 0.83 0.00 0.00 0.00 0.00 19.45 16.25 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 0.76 1.74 -3.07 0.00 0.00 -1.95 -3.36 119.26 113.38 2yuv h ALA 9 Ca -0.42 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 53.79 2yuv h ALA 9 Cb 1.28 0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.81 2yuv h ALA 9 CO 0.42 -0.38 -0.59 -0.06 0.00 0.00 0.00 179.25 178.64 2yuv s PHE 10 N -4.48 3.24 0.35 0.00 0.08 -1.26 -2.80 117.98 113.10 2yuv s PHE 10 Ca -0.04 -1.27 0.11 0.00 0.12 0.00 0.00 56.93 55.84 2yuv s PHE 10 Cb 0.14 -2.31 0.63 0.00 -0.57 0.00 0.00 43.02 40.92 2yuv s PHE 10 CO 0.48 -0.69 1.79 0.00 -0.10 0.00 0.00 175.22 176.69 2yuv h ALA 11 N 8.27 1.30 -2.56 5.36 0.00 -1.02 -3.41 119.26 127.19 2yuv h ALA 11 Ca -0.25 -0.36 -0.36 0.00 0.00 0.00 0.00 54.91 53.94 2yuv h ALA 11 Cb 1.09 -0.07 -0.37 0.00 0.00 0.00 0.00 17.79 18.45 2yuv h ALA 11 CO 0.62 0.51 -0.66 0.21 0.00 0.00 0.00 179.25 179.93 2yuv s LYS 12 N -4.17 0.19 0.63 0.00 2.47 -1.19 -4.86 119.74 112.81 2yuv s LYS 12 Ca -0.03 0.04 -0.11 0.00 -1.56 0.00 0.00 55.97 54.31 2yuv s LYS 12 Cb 0.14 -1.20 -0.04 0.00 -1.46 0.00 0.00 37.83 35.27 2yuv s LYS 12 CO 0.74 -0.75 1.03 0.96 0.16 0.00 0.00 175.35 177.49 2yuv s ILE 13 N 2.29 4.64 0.27 5.43 -4.36 -1.26 -2.50 121.20 125.71 2yuv s ILE 13 Ca 0.07 0.86 -0.29 0.00 -0.26 0.00 0.00 60.65 61.03 2yuv s ILE 13 Cb -0.16 -3.82 -0.09 0.00 1.25 0.00 0.00 42.46 39.64 2yuv s ILE 13 CO -0.17 -1.12 1.15 -0.76 0.24 0.00 0.00 174.94 174.28 2yuv s LEU 14 N -5.21 4.51 0.88 0.37 1.43 -1.26 -4.97 118.68 114.44 2yuv s LEU 14 Ca 0.55 2.34 -0.16 0.00 -1.03 0.00 0.00 54.13 55.83 2yuv s LEU 14 Cb -0.11 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.38 2yuv s LEU 14 CO 0.54 -0.25 -0.27 0.47 0.23 0.00 0.00 176.35 177.07 2yuv n ASP 15 N 1.33 -4.19 0.13 2.29 8.00 -1.26 -4.82 116.55 118.03 2yuv n ASP 15 Ca -0.00 0.34 0.12 0.00 0.71 0.00 0.00 54.79 55.95 2yuv n ASP 15 Cb 0.44 -0.93 0.50 0.00 -0.02 0.00 0.00 41.12 41.11 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 1.01 0.20 -3.60 -0.24 -0.04 -1.26 -4.56 135.00 126.51 2yuv n PRO 16 Ca 0.03 0.43 -0.09 0.00 -0.04 0.00 0.00 63.50 63.83 2yuv n PRO 16 Cb 0.53 -1.88 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 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 -3.33 -1.97 0.30 0.55 0.00 -1.26 -3.66 121.76 112.40 2yuv s ALA 17 Ca 0.04 1.68 0.07 0.00 0.00 0.00 0.00 51.96 53.75 2yuv s ALA 17 Cb 0.09 -0.97 -0.06 0.00 0.00 0.00 0.00 23.12 22.18 2yuv s ALA 17 CO 0.39 -0.28 -0.06 0.71 0.00 0.00 0.00 175.76 176.52 2yuv s TYR 18 N -0.80 2.09 -0.13 0.00 1.51 0.96 -4.92 117.35 116.06 2yuv s TYR 18 Ca 0.01 -0.66 -0.06 0.00 -1.01 0.00 0.00 57.07 55.34 2yuv s TYR 18 Cb -0.02 -1.22 0.06 0.00 -0.11 0.00 0.00 41.96 40.67 2yuv s TYR 18 CO -0.02 0.35 0.30 -0.65 -1.11 0.00 0.00 175.55 174.41 2yuv s GLN 19 N -3.71 0.23 0.09 -0.62 1.11 -1.26 -1.32 119.66 114.18 2yuv s GLN 19 Ca 0.31 0.68 -0.03 0.00 0.01 0.00 0.00 55.36 56.34 2yuv s GLN 19 Cb 0.04 -0.04 -0.03 0.00 -1.01 0.00 0.00 33.01 31.97 2yuv s GLN 19 CO 0.13 -0.20 0.05 0.54 0.01 0.00 0.00 175.29 175.82 2yuv s VAL 20 N 1.73 0.17 0.33 1.09 0.11 -0.97 -4.99 120.40 117.87 2yuv s VAL 20 Ca -0.06 -1.72 -0.19 0.00 -2.93 0.00 0.00 61.98 57.08 2yuv s VAL 20 Cb -0.11 -1.67 -0.10 0.00 -1.53 0.00 0.00 36.38 32.98 2yuv s VAL 20 CO -0.10 -0.75 0.83 1.51 -3.33 0.00 0.00 175.10 173.26 2yuv s ASP 21 N -2.95 6.96 0.71 3.54 1.47 -1.26 -1.79 116.67 123.35 2yuv s ASP 21 Ca 0.12 1.51 -0.17 0.00 1.18 0.00 0.00 52.55 55.19 2yuv s ASP 21 Cb 0.07 -2.46 -0.13 0.00 -0.34 0.00 0.00 42.92 40.06 2yuv s ASP 21 CO -0.06 -0.18 -0.23 1.17 0.68 0.00 0.00 175.17 176.55 2yuv n LYS 22 N -0.08 0.05 -3.02 2.11 4.81 -1.26 -0.70 118.16 120.07 2yuv n LYS 22 Ca 0.03 0.02 -0.18 0.00 -0.87 0.00 0.00 58.31 57.32 2yuv n LYS 22 Cb 0.52 -1.16 -0.03 0.00 0.02 0.00 0.00 35.03 34.38 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 2.67 -0.34 0.00 3.14 0.00 0.85 -4.82 105.19 106.69 2yuv n GLY 23 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.68 2.32 2.93 -0.02 0.00 0.12 -4.44 105.19 105.42 2yuv n GLY 24 Ca 0.05 -1.81 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 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 4.34 0.10 0.52 1.61 3.52 -1.26 -1.46 118.95 126.32 2yuv s ARG 25 Ca 0.00 0.59 0.00 0.00 -0.13 0.00 0.00 55.73 56.19 2yuv s ARG 25 Cb 0.00 -0.16 0.02 0.00 -1.56 0.00 0.00 34.95 33.25 2yuv s ARG 25 CO 0.00 -0.26 0.76 0.14 -0.81 0.00 0.00 175.30 175.13 2yuv s VAL 26 N 2.01 3.18 -0.08 7.11 -7.23 -1.03 -4.92 120.40 119.44 2yuv s VAL 26 Ca -0.01 -0.55 0.03 0.00 -1.81 0.00 0.00 61.98 59.64 2yuv s VAL 26 Cb -0.12 -3.20 0.01 0.00 0.56 0.00 0.00 36.38 33.63 2yuv s VAL 26 CO -0.07 -0.15 -0.16 -0.60 -0.31 0.00 0.00 175.10 173.82 2yuv s ARG 27 N -4.72 2.10 -0.20 4.82 3.52 -1.26 -3.22 118.95 119.98 2yuv s ARG 27 Ca 0.54 -0.55 -0.05 0.00 -0.13 0.00 0.00 55.73 55.55 2yuv s ARG 27 Cb -0.10 -1.68 0.07 0.00 -1.56 0.00 0.00 34.95 31.67 2yuv s ARG 27 CO 0.39 0.06 0.10 -0.06 -0.81 0.00 0.00 175.30 174.98 2yuv s PHE 28 N 0.61 0.20 0.04 5.12 0.08 0.14 -4.99 117.98 119.19 2yuv s PHE 28 Ca -0.15 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.50 2yuv s PHE 28 Cb -0.16 -0.73 -0.02 0.00 -0.57 0.00 0.00 43.02 41.54 2yuv s PHE 28 CO 0.05 -0.59 -0.10 0.54 -0.10 0.00 0.00 175.22 175.01 2yuv s VAL 29 N 2.14 0.74 0.00 -0.44 0.11 -1.26 0.23 120.40 121.92 2yuv s VAL 29 Ca 0.04 -0.98 -0.05 0.00 -2.93 0.00 0.00 61.98 58.07 2yuv s VAL 29 Cb -0.16 -0.73 -0.00 0.00 -1.53 0.00 0.00 36.38 33.95 2yuv s VAL 29 CO -0.16 -0.20 0.08 0.68 -3.33 0.00 0.00 175.10 172.17 2yuv s VAL 30 N -1.07 0.08 0.17 2.04 -7.23 -0.47 -4.60 120.40 109.33 2yuv s VAL 30 Ca -0.04 -0.68 0.03 0.00 -1.81 0.00 0.00 61.98 59.48 2yuv s VAL 30 Cb -0.08 -0.35 -0.03 0.00 0.56 0.00 0.00 36.38 36.47 2yuv s VAL 30 CO 0.01 -0.38 0.27 -1.61 -0.31 0.00 0.00 175.10 173.09 2yuv s GLU 31 N -1.25 3.35 -0.09 4.82 8.01 -1.04 -1.01 118.70 131.49 2yuv s GLU 31 Ca -0.13 -0.67 0.02 0.00 0.01 0.00 0.00 54.97 54.19 2yuv s GLU 31 Cb -0.08 -2.90 0.02 0.00 -4.31 0.00 0.00 34.13 26.86 2yuv s GLU 31 CO 0.01 0.50 -0.13 -0.51 0.01 0.00 0.00 175.26 175.13 2yuv s LEU 32 N -3.36 1.63 0.58 1.80 1.43 -0.79 -0.63 118.68 119.33 2yuv s LEU 32 Ca 0.34 -0.37 0.29 0.00 -1.03 0.00 0.00 54.13 53.36 2yuv s LEU 32 Cb -0.10 -0.98 1.47 0.00 0.03 0.00 0.00 46.19 46.61 2yuv s LEU 32 CO 0.28 0.01 1.89 0.00 0.23 0.00 0.00 176.35 178.76 2yuv h ALA 33 N 7.37 2.33 -2.75 4.21 0.00 -1.73 -3.41 119.26 125.27 2yuv h ALA 33 Ca -0.31 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 2yuv h ALA 33 Cb 1.17 0.04 -0.23 0.00 0.00 0.00 0.00 17.79 18.78 2yuv h ALA 33 CO 0.47 -0.80 -0.29 -0.51 0.00 0.00 0.00 179.25 178.12 2yuv s ASP 34 N -5.32 -0.30 0.55 0.00 1.01 -1.26 -5.04 116.67 106.31 2yuv s ASP 34 Ca -0.04 0.47 0.34 0.00 0.71 0.00 0.00 52.55 54.03 2yuv s ASP 34 Cb 0.17 0.56 1.41 0.00 1.01 0.00 0.00 42.92 46.07 2yuv s ASP 34 CO 0.60 -0.24 2.00 1.55 0.21 0.00 0.00 175.17 179.29 2yuv h PRO 35 N 4.95 0.00 -0.23 8.23 0.13 -1.92 -2.93 132.00 140.22 2yuv h PRO 35 Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 2yuv h PRO 35 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2yuv h PRO 35 CO 0.33 0.00 -0.00 -0.22 -0.23 0.00 0.00 178.00 177.88 2yuv h LYS 36 N 0.00 0.35 -6.68 0.86 1.63 -1.97 -3.42 116.57 107.34 2yuv h LYS 36 Ca 0.00 -0.06 -0.52 0.00 -0.85 0.00 0.00 60.65 59.22 2yuv h LYS 36 Cb 0.49 -0.06 0.04 0.00 -0.60 0.00 0.00 32.23 32.09 2yuv h LYS 36 CO 0.00 0.38 0.67 -0.51 -3.45 0.00 0.00 179.45 176.54 2yuv s LEU 37 N -9.02 4.41 0.66 5.20 1.43 -1.11 -5.02 118.68 115.23 2yuv s LEU 37 Ca -0.06 2.43 -0.07 0.00 -1.03 0.00 0.00 54.13 55.40 2yuv s LEU 37 Cb 0.16 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.81 2yuv s LEU 37 CO 0.73 -0.56 0.98 -1.83 0.23 0.00 0.00 176.35 175.91 2yuv s GLU 38 N -0.08 2.48 -0.00 1.70 1.03 -1.26 -4.92 118.70 117.65 2yuv s GLU 38 Ca 0.57 -0.14 0.02 0.00 0.03 0.00 0.00 54.97 55.46 2yuv s GLU 38 Cb -0.37 -2.20 -0.00 0.00 -0.80 0.00 0.00 34.13 30.76 2yuv s GLU 38 CO 0.38 -1.04 -0.05 0.14 -1.33 0.00 0.00 175.26 173.36 2yuv s VAL 39 N -3.16 0.41 -0.08 1.83 -7.23 -1.26 -4.03 120.40 106.88 2yuv s VAL 39 Ca 0.58 -0.22 -0.03 0.00 -1.81 0.00 0.00 61.98 60.50 2yuv s VAL 39 Cb -0.11 -0.35 0.04 0.00 0.56 0.00 0.00 36.38 36.53 2yuv s VAL 39 CO 0.45 0.12 0.16 -0.54 -0.31 0.00 0.00 175.10 174.98 2yuv s LYS 40 N -0.11 0.06 0.03 4.82 1.02 -1.06 -4.98 119.74 119.52 2yuv s LYS 40 Ca 0.02 0.50 -0.13 0.00 0.02 0.00 0.00 55.97 56.38 2yuv s LYS 40 Cb -0.02 -0.22 -0.06 0.00 -0.52 0.00 0.00 37.83 37.01 2yuv s LYS 40 CO -0.00 -0.25 0.41 -1.58 -0.92 0.00 0.00 175.35 173.01 2yuv s TRP 41 N 1.87 3.68 0.02 3.18 0.52 -1.26 -2.24 118.94 124.71 2yuv s TRP 41 Ca -0.02 0.94 0.00 0.00 0.02 0.00 0.00 56.10 57.04 2yuv s TRP 41 Cb -0.12 -2.25 -0.02 0.00 -1.15 0.00 0.00 33.47 29.93 2yuv s TRP 41 CO -0.06 0.60 -0.03 0.71 0.02 0.00 0.00 176.95 178.19 2yuv s TYR 42 N -1.20 0.26 -0.30 -1.98 2.02 -0.94 -2.00 117.35 113.22 2yuv s TYR 42 Ca 0.27 -0.52 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 2yuv s TYR 42 Cb -0.16 -0.19 0.09 0.00 -0.40 0.00 0.00 41.96 41.30 2yuv s TYR 42 CO 0.15 -0.18 0.04 0.21 -1.57 0.00 0.00 175.55 174.19 2yuv s LYS 43 N -1.44 1.28 -1.60 -0.62 2.20 0.81 -2.55 119.74 117.81 2yuv s LYS 43 Ca -0.16 -1.38 -0.02 0.00 -0.36 0.00 0.00 55.97 54.06 2yuv s LYS 43 Cb -0.10 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 2yuv s LYS 43 CO -0.01 -0.86 0.24 0.09 -0.36 0.00 0.00 175.35 174.45 2yuv n ASN 44 N 4.56 -5.76 0.00 1.43 4.13 -1.03 -2.10 115.26 116.48 2yuv n ASN 44 Ca -0.02 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.11 2yuv n ASN 44 Cb 0.43 -4.71 0.00 0.00 -1.54 0.00 0.00 39.78 33.96 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 -1.21 0.87 3.07 7.41 0.00 -1.26 -5.07 105.19 108.99 2yuv n GLY 45 Ca -0.18 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.12 2.03 -0.21 1.61 2.00 -0.89 -5.09 119.66 116.98 2yuv s GLN 46 Ca 0.00 -0.52 -0.29 0.00 -2.00 0.00 0.00 55.36 52.55 2yuv s GLN 46 Cb 0.00 -1.64 -0.04 0.00 0.80 0.00 0.00 33.01 32.14 2yuv s GLN 46 CO 0.00 0.05 1.81 -2.00 -0.50 0.00 0.00 175.29 174.65 2yuv s GLU 47 N 0.63 3.62 0.47 1.67 2.12 -1.26 -0.14 118.70 125.81 2yuv s GLU 47 Ca -0.15 1.79 -0.21 0.00 0.36 0.00 0.00 54.97 56.76 2yuv s GLU 47 Cb -0.16 -4.15 -0.09 0.00 0.26 0.00 0.00 34.13 30.00 2yuv s GLU 47 CO 0.04 -1.52 1.04 0.42 -0.54 0.00 0.00 175.26 174.70 2yuv s ILE 48 N 6.04 3.76 0.08 -3.70 1.01 -0.85 -4.94 121.20 122.61 2yuv s ILE 48 Ca 0.80 1.14 0.09 0.00 0.00 0.00 0.00 60.65 62.68 2yuv s ILE 48 Cb -0.28 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 2yuv s ILE 48 CO 0.33 -0.20 -0.24 0.00 0.00 0.00 0.00 174.94 174.83 2yuv s ARG 49 N -3.12 1.43 -0.21 2.79 3.03 -1.26 -4.85 118.95 116.77 2yuv s ARG 49 Ca 0.66 -1.15 -0.29 0.00 2.03 0.00 0.00 55.73 56.98 2yuv s ARG 49 Cb -0.17 -1.71 -0.03 0.00 -1.03 0.00 0.00 34.95 32.01 2yuv s ARG 49 CO 0.21 0.42 1.61 -1.25 -1.13 0.00 0.00 175.30 175.16 2yuv s PRO 50 N -1.60 3.83 0.20 3.89 0.04 -1.26 -4.72 135.00 135.37 2yuv s PRO 50 Ca 0.10 1.69 -0.10 0.00 0.04 0.00 0.00 61.00 62.73 2yuv s PRO 50 Cb -0.10 -4.02 -0.01 0.00 0.04 0.00 0.00 34.50 30.41 2yuv s PRO 50 CO 0.04 -1.25 0.37 -1.12 0.04 0.00 0.00 177.00 175.07 2yuv s SER 51 N 4.11 -0.03 0.51 6.66 0.01 -1.15 -4.97 113.70 118.84 2yuv s SER 51 Ca 0.71 -0.90 0.38 0.00 1.31 0.00 0.00 55.95 57.45 2yuv s SER 51 Cb -0.25 0.50 1.54 0.00 0.21 0.00 0.00 66.02 68.02 2yuv s SER 51 CO 0.29 -1.00 1.68 0.71 0.41 0.00 0.00 173.24 175.33 2yuv h THR 52 N 2.41 0.22 -0.07 1.44 1.35 -2.00 0.96 112.91 117.21 2yuv h THR 52 Ca -0.30 -0.02 -0.24 0.00 -0.55 0.00 0.00 66.41 65.31 2yuv h THR 52 Cb 1.24 0.16 0.01 0.00 -1.73 0.00 0.00 68.15 67.83 2yuv h THR 52 CO 0.43 0.01 -0.89 0.50 -0.25 0.00 0.00 175.52 175.31 2yuv h LYS 53 N 0.06 0.68 -4.76 4.72 3.64 -1.93 -3.42 116.57 115.55 2yuv h LYS 53 Ca 0.75 -0.63 -0.68 0.00 -1.27 0.00 0.00 60.65 58.82 2yuv h LYS 53 Cb 2.76 0.16 -0.24 0.00 -0.41 0.00 0.00 32.23 34.50 2yuv h LYS 53 CO -0.13 1.24 -0.57 0.71 -2.27 0.00 0.00 179.45 178.42 2yuv s TYR 54 N -3.52 3.18 -0.54 1.91 2.02 0.33 -1.90 117.35 118.83 2yuv s TYR 54 Ca -0.09 -0.79 -0.20 0.00 -0.37 0.00 0.00 57.07 55.62 2yuv s TYR 54 Cb 0.08 -2.33 0.07 0.00 -0.40 0.00 0.00 41.96 39.38 2yuv s TYR 54 CO 0.90 -0.53 0.69 0.42 -1.57 0.00 0.00 175.55 175.45 2yuv s ILE 55 N 1.56 4.79 -0.35 2.71 -1.09 -0.32 -2.92 121.20 125.58 2yuv s ILE 55 Ca 0.03 -0.55 -0.19 0.00 -2.23 0.00 0.00 60.65 57.72 2yuv s ILE 55 Cb -0.17 -4.39 -0.00 0.00 -1.58 0.00 0.00 42.46 36.32 2yuv s ILE 55 CO 0.05 -0.94 0.54 -0.36 -1.23 0.00 0.00 174.94 173.00 2yuv s PHE 56 N 2.82 3.18 0.06 3.97 0.40 -1.26 -2.26 117.98 124.88 2yuv s PHE 56 Ca 0.16 0.23 0.08 0.00 -0.60 0.00 0.00 56.93 56.80 2yuv s PHE 56 Cb -0.20 -2.97 -0.03 0.00 0.51 0.00 0.00 43.02 40.33 2yuv s PHE 56 CO 0.11 -0.55 -0.23 -1.21 0.70 0.00 0.00 175.22 174.04 2yuv s GLU 57 N 2.47 1.51 -0.15 0.44 0.41 -0.81 -5.00 118.70 117.55 2yuv s GLU 57 Ca 0.20 -1.05 -0.05 0.00 -0.41 0.00 0.00 54.97 53.67 2yuv s GLU 57 Cb -0.15 -1.68 0.06 0.00 -1.78 0.00 0.00 34.13 30.57 2yuv s GLU 57 CO 0.13 0.43 0.09 -1.58 -0.49 0.00 0.00 175.26 173.84 2yuv s HIS 58 N -0.85 0.15 -0.56 1.61 5.65 -1.26 -0.65 115.29 119.39 2yuv s HIS 58 Ca 0.09 -0.21 0.04 0.00 0.25 0.00 0.00 55.06 55.24 2yuv s HIS 58 Cb -0.09 -0.65 0.14 0.00 -1.18 0.00 0.00 32.58 30.80 2yuv s HIS 58 CO 0.02 -0.47 0.31 0.15 -0.65 0.00 0.00 174.74 174.11 2yuv s LYS 59 N 2.15 2.05 5.61 2.88 3.01 -0.89 -4.99 119.74 129.55 2yuv s LYS 59 Ca 0.03 -2.76 0.00 0.00 -1.01 0.00 0.00 55.97 52.23 2yuv s LYS 59 Cb -0.15 -3.27 0.00 0.00 -1.01 0.00 0.00 37.83 33.39 2yuv s LYS 59 CO -0.08 -1.16 0.00 0.41 0.51 0.00 0.00 175.35 175.03 2yuv n GLY 60 N 2.86 1.76 2.21 -3.33 0.00 -1.26 -3.54 105.19 103.88 2yuv n GLY 60 Ca 0.09 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.68 0.17 -0.27 0.00 0.74 -1.23 -1.89 119.66 113.50 2yuv s GLN 62 Ca 0.54 0.45 -0.03 0.00 0.05 0.00 0.00 55.36 56.37 2yuv s GLN 62 Cb 0.44 -0.12 0.03 0.00 1.10 0.00 0.00 33.01 34.45 2yuv s GLN 62 CO -0.03 -0.15 -0.01 1.03 -0.55 0.00 0.00 175.29 175.58 2yuv s ARG 63 N 1.14 2.83 0.17 1.67 1.81 -0.18 -2.09 118.95 124.30 2yuv s ARG 63 Ca -0.09 -1.00 0.02 0.00 -1.72 0.00 0.00 55.73 52.94 2yuv s ARG 63 Cb -0.10 -3.14 -0.04 0.00 -0.45 0.00 0.00 34.95 31.22 2yuv s ARG 63 CO -0.07 -0.46 0.32 0.42 -0.68 0.00 0.00 175.30 174.83 2yuv s ILE 64 N 1.36 5.29 -0.17 1.52 1.01 0.18 -1.37 121.20 129.03 2yuv s ILE 64 Ca -0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 2yuv s ILE 64 Cb -0.17 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.61 2yuv s ILE 64 CO -0.02 -0.13 0.40 -0.22 0.00 0.00 0.00 174.94 174.97 2yuv s LEU 65 N -3.32 -0.11 -0.03 2.97 1.98 0.63 -1.93 118.68 118.87 2yuv s LEU 65 Ca 0.35 0.87 0.06 0.00 -2.89 0.00 0.00 54.13 52.53 2yuv s LEU 65 Cb -0.11 1.30 -0.01 0.00 0.66 0.00 0.00 46.19 48.03 2yuv s LEU 65 CO 0.29 -0.20 -0.23 -0.36 -1.89 0.00 0.00 176.35 173.96 2yuv s PHE 66 N 1.50 2.15 -0.28 5.38 0.08 -0.96 0.28 117.98 126.12 2yuv s PHE 66 Ca -0.09 -0.52 0.02 0.00 0.12 0.00 0.00 56.93 56.46 2yuv s PHE 66 Cb -0.09 -1.40 0.06 0.00 -0.57 0.00 0.00 43.02 41.03 2yuv s PHE 66 CO -0.12 -0.12 -0.05 0.42 -0.10 0.00 0.00 175.22 175.25 2yuv s ILE 67 N -0.33 2.41 0.60 0.64 1.01 -1.20 -1.18 121.20 123.16 2yuv s ILE 67 Ca 0.03 -1.69 -0.08 0.00 0.00 0.00 0.00 60.65 58.91 2yuv s ILE 67 Cb -0.11 -2.47 -0.00 0.00 0.01 0.00 0.00 42.46 39.89 2yuv s ILE 67 CO 0.01 -0.15 0.94 0.20 0.00 0.00 0.00 174.94 175.94 2yuv s ASN 68 N 1.13 5.74 -1.08 3.58 0.01 -0.80 -2.47 114.94 121.06 2yuv s ASN 68 Ca -0.05 0.92 -0.03 0.00 -0.71 0.00 0.00 52.86 52.99 2yuv s ASN 68 Cb -0.20 -1.93 0.00 0.00 0.41 0.00 0.00 41.25 39.54 2yuv s ASN 68 CO -0.04 -1.02 0.91 0.59 -1.51 0.00 0.00 177.10 176.03 2yuv n ASN 69 N -2.64 -3.27 -4.55 -1.22 3.02 -0.54 -4.87 115.26 101.19 2yuv n ASN 69 Ca 0.04 -0.51 -0.38 0.00 -0.03 0.00 0.00 54.58 53.71 2yuv n ASN 69 Cb 0.57 -4.46 -0.03 0.00 -0.61 0.00 0.00 39.78 35.25 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 7.54 3.07 0.25 0.00 2.00 -1.26 -0.10 119.66 131.16 2yuv s GLN 71 Ca 0.83 -0.97 -0.03 0.00 -2.00 0.00 0.00 55.36 53.18 2yuv s GLN 71 Cb -0.16 -2.66 0.50 0.00 0.80 0.00 0.00 33.01 31.50 2yuv s GLN 71 CO 0.24 0.41 1.71 1.98 -0.50 0.00 0.00 175.29 179.13 2yuv h MET 72 N 1.40 0.37 -0.41 1.67 4.05 -1.91 0.50 114.93 120.59 2yuv h MET 72 Ca -0.49 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 58.80 2yuv h MET 72 Cb 1.24 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.94 2yuv h MET 72 CO 0.61 0.25 -0.15 1.79 0.23 0.00 0.00 176.91 179.63 2yuv h THR 73 N 0.38 1.26 -0.78 -0.77 1.35 -1.97 -2.99 112.91 109.40 2yuv h THR 73 Ca 0.44 -1.23 0.13 0.00 -0.55 0.00 0.00 66.41 65.20 2yuv h THR 73 Cb 0.72 1.11 -0.09 0.00 -1.73 0.00 0.00 68.15 68.16 2yuv h THR 73 CO -0.46 0.42 0.37 0.44 -0.25 0.00 0.00 175.52 176.04 2yuv h ASP 74 N 0.69 0.42 0.00 5.36 5.19 -1.27 -3.40 116.42 123.41 2yuv h ASP 74 Ca 0.11 0.09 -0.36 0.00 -0.62 0.00 0.00 57.03 56.25 2yuv h ASP 74 Cb 0.64 0.03 -0.09 0.00 0.18 0.00 0.00 39.33 40.09 2yuv h ASP 74 CO 0.04 0.19 1.60 -0.67 -3.12 0.00 0.00 179.24 177.29 2yuv n ASP 75 N -4.92 -0.50 -4.25 6.45 2.03 -1.03 -4.83 116.55 109.49 2yuv n ASP 75 Ca 0.15 -0.16 -0.14 0.00 0.52 0.00 0.00 54.79 55.16 2yuv n ASP 75 Cb 0.39 -0.61 -0.10 0.00 -0.72 0.00 0.00 41.12 40.08 2yuv n ASP 75 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2yuv s SER 76 N 3.80 1.69 -0.51 1.67 0.01 -1.26 -4.94 113.70 114.16 2yuv s SER 76 Ca 1.13 -1.06 -0.29 0.00 1.31 0.00 0.00 55.95 57.05 2yuv s SER 76 Cb -0.89 0.01 0.03 0.00 0.21 0.00 0.00 66.02 65.38 2yuv s SER 76 CO 0.45 -0.39 1.18 -0.70 0.41 0.00 0.00 173.24 174.19 2yuv s GLU 77 N -3.79 3.63 -0.04 12.44 2.12 -1.26 -3.94 118.70 127.87 2yuv s GLU 77 Ca 0.19 0.47 -0.16 0.00 0.36 0.00 0.00 54.97 55.83 2yuv s GLU 77 Cb 0.04 -3.96 -0.05 0.00 0.26 0.00 0.00 34.13 30.42 2yuv s GLU 77 CO 0.02 -1.51 0.42 0.71 -0.54 0.00 0.00 175.26 174.36 2yuv s TYR 78 N 4.72 3.66 -0.07 5.30 1.51 -1.05 -2.48 117.35 128.94 2yuv s TYR 78 Ca 0.47 0.95 -0.05 0.00 -1.01 0.00 0.00 57.07 57.43 2yuv s TYR 78 Cb -0.08 -2.37 0.03 0.00 -0.11 0.00 0.00 41.96 39.44 2yuv s TYR 78 CO 0.30 0.49 0.17 1.52 -1.11 0.00 0.00 175.55 176.92 2yuv s TYR 79 N -0.52 -0.20 0.11 2.71 -0.85 -1.06 0.00 117.35 117.55 2yuv s TYR 79 Ca 0.24 0.52 0.08 0.00 -0.52 0.00 0.00 57.07 57.38 2yuv s TYR 79 Cb -0.16 0.00 -0.04 0.00 0.38 0.00 0.00 41.96 42.14 2yuv s TYR 79 CO 0.12 -0.14 -0.12 0.54 -1.52 0.00 0.00 175.55 174.43 2yuv s VAL 80 N 0.71 3.25 -0.04 -3.49 0.11 -0.75 -2.20 120.40 117.99 2yuv s VAL 80 Ca -0.05 -1.34 0.07 0.00 -2.93 0.00 0.00 61.98 57.72 2yuv s VAL 80 Cb -0.07 -2.52 -0.01 0.00 -1.53 0.00 0.00 36.38 32.25 2yuv s VAL 80 CO -0.04 0.09 -0.24 0.42 -3.33 0.00 0.00 175.10 172.01 2yuv s THR 81 N -1.23 1.91 -0.21 5.04 -4.23 -0.95 -2.36 115.64 113.60 2yuv s THR 81 Ca 0.21 -1.01 -0.04 0.00 -1.18 0.00 0.00 61.69 59.68 2yuv s THR 81 Cb -0.11 -1.60 0.11 0.00 1.34 0.00 0.00 72.50 72.24 2yuv s THR 81 CO 0.13 0.54 0.31 0.00 -0.54 0.00 0.00 174.62 175.06 2yuv s ALA 82 N -0.33 -0.73 0.00 3.99 0.00 -0.29 -2.56 121.76 121.84 2yuv s ALA 82 Ca 0.03 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2yuv s ALA 82 Cb -0.11 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.57 2yuv s ALA 82 CO 0.01 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.05 2yuv n GLY 83 N 5.35 2.04 0.39 0.00 0.00 -1.26 -2.23 105.19 109.48 2yuv n GLY 83 Ca -0.05 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 10.35 2.84 -4.25 1.61 2.03 -1.26 -5.02 116.55 122.86 2yuv n ASP 84 Ca 0.00 -2.72 -0.14 0.00 0.52 0.00 0.00 54.79 52.45 2yuv n ASP 84 Cb 0.00 -0.36 -0.10 0.00 -0.72 0.00 0.00 41.12 39.94 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 -2.27 1.05 -0.14 -0.67 0.41 -0.95 -5.03 118.70 111.11 2yuv s GLU 85 Ca 0.28 -1.44 -0.30 0.00 -0.41 0.00 0.00 54.97 53.11 2yuv s GLU 85 Cb 0.23 -0.63 0.11 0.00 -1.78 0.00 0.00 34.13 32.06 2yuv s GLU 85 CO 0.06 0.08 0.90 -1.59 -0.49 0.00 0.00 175.26 174.21 2yuv s LYS 86 N -3.69 0.73 0.28 1.61 -2.85 -1.26 -1.13 119.74 113.42 2yuv s LYS 86 Ca 0.16 0.24 0.03 0.00 -1.00 0.00 0.00 55.97 55.40 2yuv s LYS 86 Cb 0.02 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 36.10 2yuv s LYS 86 CO 0.01 -0.22 0.19 0.00 0.10 0.00 0.00 175.35 175.43 2yuv s SER 88 N -3.30 0.13 0.17 0.00 0.01 -1.26 -1.82 113.70 107.63 2yuv s SER 88 Ca 0.39 -1.18 -0.08 0.00 1.31 0.00 0.00 55.95 56.38 2yuv s SER 88 Cb 0.05 0.40 -0.01 0.00 0.21 0.00 0.00 66.02 66.67 2yuv s SER 88 CO 0.19 -0.87 0.27 0.28 0.41 0.00 0.00 173.24 173.53 2yuv s THR 89 N -4.08 0.06 -0.15 1.44 -1.32 0.10 -4.82 115.64 106.88 2yuv s THR 89 Ca 0.29 -1.45 0.01 0.00 -1.21 0.00 0.00 61.69 59.32 2yuv s THR 89 Cb 0.05 -1.91 -0.00 0.00 -1.51 0.00 0.00 72.50 69.13 2yuv s THR 89 CO 0.07 -0.28 -0.16 -1.61 -2.21 0.00 0.00 174.62 170.43 2yuv s GLU 90 N -3.98 3.23 -0.21 7.08 2.02 -1.24 -2.54 118.70 123.06 2yuv s GLU 90 Ca 0.19 -0.75 -0.13 0.00 0.02 0.00 0.00 54.97 54.29 2yuv s GLU 90 Cb 0.04 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 2yuv s GLU 90 CO 0.01 0.06 0.29 -1.17 0.02 0.00 0.00 175.26 174.47 2yuv s LEU 91 N 0.70 4.16 -0.37 1.80 1.98 -1.25 -0.03 118.68 125.67 2yuv s LEU 91 Ca -0.07 0.37 0.02 0.00 -2.89 0.00 0.00 54.13 51.56 2yuv s LEU 91 Cb -0.16 -2.34 0.11 0.00 0.66 0.00 0.00 46.19 44.46 2yuv s LEU 91 CO 0.02 0.01 0.11 -0.36 -1.89 0.00 0.00 176.35 174.24 2yuv s PHE 92 N 1.03 3.68 -0.32 5.38 0.08 -0.43 -4.55 117.98 122.85 2yuv s PHE 92 Ca 0.14 -2.84 -0.16 0.00 0.12 0.00 0.00 56.93 54.20 2yuv s PHE 92 Cb -0.14 -3.02 -0.02 0.00 -0.57 0.00 0.00 43.02 39.28 2yuv s PHE 92 CO 0.06 -0.95 0.39 0.54 -0.10 0.00 0.00 175.22 175.16 2yuv s VAL 93 N 0.90 5.15 0.08 -0.44 0.11 -1.26 -2.29 120.40 122.64 2yuv s VAL 93 Ca 0.11 0.25 0.17 0.00 -2.93 0.00 0.00 61.98 59.57 2yuv s VAL 93 Cb -0.20 -3.81 0.17 0.00 -1.53 0.00 0.00 36.38 31.01 2yuv s VAL 93 CO -0.06 -0.04 1.44 0.03 -3.33 0.00 0.00 175.10 173.14 2yuv h ARG 94 N 8.38 0.00 -5.01 1.54 3.08 -1.68 -3.44 114.38 117.25 2yuv h ARG 94 Ca -0.30 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.59 2yuv h ARG 94 Cb 1.15 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.09 2yuv h ARG 94 CO 0.69 0.00 -0.24 0.45 -1.07 0.00 0.00 179.97 179.80 2yuv n SER 95 N -2.20 -1.05 -4.05 7.04 2.88 -1.26 -4.80 113.62 110.18 2yuv n SER 95 Ca -0.01 -0.04 -0.18 0.00 -1.33 0.00 0.00 58.87 57.31 2yuv n SER 95 Cb 0.29 -0.99 -0.14 0.00 -0.75 0.00 0.00 64.21 62.62 2yuv n SER 95 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yuv s GLY 96 N -2.04 0.52 0.09 0.46 0.00 -1.26 -4.87 107.32 100.21 2yuv s GLY 96 Ca 0.22 -0.52 -0.31 0.00 0.00 0.00 0.00 44.72 44.11 2yuv s GLY 96 CO 0.27 -0.47 1.38 2.56 0.00 0.00 0.00 173.10 176.83 2yuv s PRO 97 N -0.55 4.32 -0.06 2.90 0.04 -1.26 -4.04 135.00 136.35 2yuv s PRO 97 Ca 0.02 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.92 2yuv s PRO 97 Cb -0.05 -3.33 0.03 0.00 0.04 0.00 0.00 34.50 31.19 2yuv s PRO 97 CO 0.00 -0.45 0.38 0.45 0.04 0.00 0.00 177.00 177.41 2yuv s SER 98 N 1.28 -0.31 -0.55 6.66 0.15 -1.26 -5.11 113.70 114.56 2yuv s SER 98 Ca 0.64 0.37 -0.27 0.00 0.70 0.00 0.00 55.95 57.38 2yuv s SER 98 Cb -0.35 0.49 0.03 0.00 -1.71 0.00 0.00 66.02 64.48 2yuv s SER 98 CO 0.29 -0.37 1.11 -0.44 1.20 0.00 0.00 173.24 175.03 2yuv s SER 99 N -0.86 6.46 0.00 5.45 0.01 -1.26 -5.10 113.70 118.40 2yuv s SER 99 Ca -0.09 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.23 2yuv s SER 99 Cb -0.04 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2yuv s SER 99 CO 0.04 -1.36 0.00 0.61 0.41 0.00 0.00 173.24 172.93