#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 6.81 -0.31 1.61 0.15 -1.26 -4.88 113.70 115.83 2yuv s SER 2 Ca 0.00 -2.56 -0.01 0.00 0.70 0.00 0.00 55.95 54.07 2yuv s SER 2 Cb 0.00 -2.32 0.18 0.00 -1.71 0.00 0.00 66.02 62.18 2yuv s SER 2 CO 0.00 -0.77 2.11 -1.20 1.20 0.00 0.00 173.24 174.58 2yuv n SER 3 N 5.14 6.40 0.00 5.45 7.64 -1.26 -4.87 113.62 132.12 2yuv n SER 3 Ca 0.22 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 57.07 2yuv n SER 3 Cb 0.46 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2yuv n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuv n GLY 4 N 0.49 4.18 3.53 0.23 0.00 -1.26 -5.17 105.19 107.19 2yuv n GLY 4 Ca 0.30 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 -0.64 -0.08 1.61 0.01 -1.26 -5.17 113.70 108.16 2yuv s SER 5 Ca 0.00 1.10 -0.07 0.00 1.31 0.00 0.00 55.95 58.29 2yuv s SER 5 Cb 0.00 1.09 0.02 0.00 0.21 0.00 0.00 66.02 67.34 2yuv s SER 5 CO 0.00 -0.33 0.21 -0.44 0.41 0.00 0.00 173.24 173.09 2yuv s SER 6 N -0.10 -0.22 -0.20 2.44 0.01 -1.26 -4.99 113.70 109.39 2yuv s SER 6 Ca -0.03 0.42 -0.01 0.00 1.31 0.00 0.00 55.95 57.64 2yuv s SER 6 Cb -0.03 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2yuv s SER 6 CO 0.03 -0.08 0.20 0.61 0.41 0.00 0.00 173.24 174.41 2yuv n GLY 7 N 3.13 -0.66 2.86 3.44 0.00 -1.26 -5.05 105.19 107.65 2yuv n GLY 7 Ca -0.14 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.60 2.45 -0.17 4.61 0.00 -1.26 -4.94 121.76 119.84 2yuv s ALA 8 Ca 0.02 -2.47 -0.09 0.00 0.00 0.00 0.00 51.96 49.42 2yuv s ALA 8 Cb -0.01 -1.90 -0.22 0.00 0.00 0.00 0.00 23.12 21.00 2yuv s ALA 8 CO 0.23 -1.84 0.18 0.00 0.00 0.00 0.00 175.76 174.33 2yuv n ALA 9 N 4.01 0.98 -2.52 0.00 0.00 -1.26 -4.65 120.51 117.06 2yuv n ALA 9 Ca 0.04 -0.69 -0.43 0.00 0.00 0.00 0.00 53.44 52.35 2yuv n ALA 9 Cb 0.38 -0.50 -0.09 0.00 0.00 0.00 0.00 19.45 19.24 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 -2.51 3.22 0.31 0.00 0.08 -1.26 -1.90 117.98 115.92 2yuv s PHE 10 Ca -0.27 -0.58 0.05 0.00 0.12 0.00 0.00 56.93 56.25 2yuv s PHE 10 Cb 0.07 -2.76 0.50 0.00 -0.57 0.00 0.00 43.02 40.26 2yuv s PHE 10 CO 0.68 -0.66 1.76 0.00 -0.10 0.00 0.00 175.22 176.90 2yuv h ALA 11 N 8.68 1.19 -2.60 5.36 0.00 -1.81 -3.41 119.26 126.68 2yuv h ALA 11 Ca -0.27 -0.33 -0.40 0.00 0.00 0.00 0.00 54.91 53.90 2yuv h ALA 11 Cb 1.12 -0.11 -0.37 0.00 0.00 0.00 0.00 17.79 18.43 2yuv h ALA 11 CO 0.77 0.52 -0.69 0.21 0.00 0.00 0.00 179.25 180.07 2yuv s LYS 12 N -4.45 0.20 0.72 0.00 2.20 -1.25 -4.96 119.74 112.20 2yuv s LYS 12 Ca -0.06 -0.12 -0.11 0.00 -0.36 0.00 0.00 55.97 55.33 2yuv s LYS 12 Cb 0.14 -1.18 0.02 0.00 -1.51 0.00 0.00 37.83 35.30 2yuv s LYS 12 CO 0.77 -0.84 1.07 0.96 -0.36 0.00 0.00 175.35 176.95 2yuv s ILE 13 N 2.24 3.83 0.35 5.43 -4.36 -1.26 -2.98 121.20 124.45 2yuv s ILE 13 Ca 0.07 0.59 -0.28 0.00 -0.26 0.00 0.00 60.65 60.77 2yuv s ILE 13 Cb -0.15 -3.27 -0.10 0.00 1.25 0.00 0.00 42.46 40.19 2yuv s ILE 13 CO -0.23 -0.78 1.32 -0.76 0.24 0.00 0.00 174.94 174.73 2yuv s LEU 14 N -5.65 4.39 0.71 0.37 1.43 -1.26 -4.94 118.68 113.73 2yuv s LEU 14 Ca 0.59 2.70 -0.17 0.00 -1.03 0.00 0.00 54.13 56.22 2yuv s LEU 14 Cb -0.15 -3.69 -0.13 0.00 0.03 0.00 0.00 46.19 42.25 2yuv s LEU 14 CO 0.55 -0.60 -0.25 0.47 0.23 0.00 0.00 176.35 176.75 2yuv n ASP 15 N 0.68 -4.08 0.00 2.29 9.92 -1.26 -4.79 116.55 119.30 2yuv n ASP 15 Ca 0.01 0.48 0.07 0.00 -0.53 0.00 0.00 54.79 54.82 2yuv n ASP 15 Cb 0.42 -0.88 0.32 0.00 -0.64 0.00 0.00 41.12 40.34 2yuv n ASP 15 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2yuv n PRO 16 N 1.47 0.04 -3.64 -0.24 -0.04 -1.26 -4.54 135.00 126.78 2yuv n PRO 16 Ca 0.05 0.23 -0.05 0.00 -0.04 0.00 0.00 63.50 63.69 2yuv n PRO 16 Cb 0.51 -1.50 -0.07 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 -2.91 -2.16 0.33 0.55 0.00 -1.26 -4.06 121.76 112.25 2yuv s ALA 17 Ca 0.08 1.77 0.09 0.00 0.00 0.00 0.00 51.96 53.91 2yuv s ALA 17 Cb 0.09 -1.67 -0.06 0.00 0.00 0.00 0.00 23.12 21.48 2yuv s ALA 17 CO 0.25 -0.16 -0.04 0.71 0.00 0.00 0.00 175.76 176.52 2yuv s TYR 18 N 0.16 2.49 -0.14 0.00 1.51 0.49 -4.95 117.35 116.91 2yuv s TYR 18 Ca 0.05 -0.44 -0.06 0.00 -1.01 0.00 0.00 57.07 55.61 2yuv s TYR 18 Cb -0.05 -1.40 0.06 0.00 -0.11 0.00 0.00 41.96 40.47 2yuv s TYR 18 CO -0.12 0.54 0.31 -0.65 -1.11 0.00 0.00 175.55 174.52 2yuv s GLN 19 N -3.66 0.23 0.11 -0.62 1.11 -1.26 -1.80 119.66 113.77 2yuv s GLN 19 Ca 0.33 0.75 -0.01 0.00 0.01 0.00 0.00 55.36 56.44 2yuv s GLN 19 Cb -0.00 0.01 -0.04 0.00 -1.01 0.00 0.00 33.01 31.97 2yuv s GLN 19 CO 0.18 -0.23 0.04 0.54 0.01 0.00 0.00 175.29 175.83 2yuv s VAL 20 N 1.98 0.14 0.49 1.09 0.11 -1.04 -5.00 120.40 118.17 2yuv s VAL 20 Ca -0.04 -1.87 -0.14 0.00 -2.93 0.00 0.00 61.98 57.00 2yuv s VAL 20 Cb -0.11 -1.89 -0.07 0.00 -1.53 0.00 0.00 36.38 32.78 2yuv s VAL 20 CO -0.10 -0.61 0.92 -0.62 -3.33 0.00 0.00 175.10 171.35 2yuv s ASP 21 N -3.01 6.55 0.76 3.54 2.15 -1.26 -1.43 116.67 123.97 2yuv s ASP 21 Ca 0.19 1.40 -0.16 0.00 0.43 0.00 0.00 52.55 54.42 2yuv s ASP 21 Cb 0.08 -2.44 -0.02 0.00 -0.30 0.00 0.00 42.92 40.23 2yuv s ASP 21 CO -0.02 -0.55 0.55 1.17 -0.17 0.00 0.00 175.17 176.16 2yuv n LYS 22 N -1.61 0.22 -2.39 4.34 4.81 -0.74 -1.54 118.16 121.25 2yuv n LYS 22 Ca 0.05 0.12 -0.03 0.00 -0.87 0.00 0.00 58.31 57.58 2yuv n LYS 22 Cb 0.54 -1.87 -0.01 0.00 0.02 0.00 0.00 35.03 33.71 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 1.56 -0.43 0.00 3.14 0.00 0.63 -4.78 105.19 105.31 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 -0.48 2.04 2.77 -0.02 0.00 -0.59 -4.30 105.19 104.60 2yuv n GLY 24 Ca 0.01 -1.88 -0.16 0.00 0.00 0.00 0.00 46.02 43.99 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 4.06 -0.03 0.42 1.61 3.52 -1.26 -1.74 118.95 125.53 2yuv s ARG 25 Ca 0.00 0.29 -0.01 0.00 -0.13 0.00 0.00 55.73 55.89 2yuv s ARG 25 Cb 0.00 -0.32 -0.02 0.00 -1.56 0.00 0.00 34.95 33.06 2yuv s ARG 25 CO 0.00 -0.22 0.65 0.14 -0.81 0.00 0.00 175.30 175.06 2yuv s VAL 26 N 1.48 4.52 -0.13 7.11 -7.23 -1.05 -4.91 120.40 120.20 2yuv s VAL 26 Ca -0.04 -0.36 -0.00 0.00 -1.81 0.00 0.00 61.98 59.76 2yuv s VAL 26 Cb -0.12 -3.67 0.03 0.00 0.56 0.00 0.00 36.38 33.17 2yuv s VAL 26 CO -0.04 -0.50 -0.08 -0.60 -0.31 0.00 0.00 175.10 173.58 2yuv s ARG 27 N -4.51 1.59 -0.24 4.82 3.52 -1.26 -3.26 118.95 119.61 2yuv s ARG 27 Ca 0.45 -0.37 0.02 0.00 -0.13 0.00 0.00 55.73 55.70 2yuv s ARG 27 Cb -0.10 -1.78 0.05 0.00 -1.56 0.00 0.00 34.95 31.56 2yuv s ARG 27 CO 0.38 -0.31 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.38 2yuv s PHE 28 N 1.66 3.15 -0.05 5.12 0.08 -0.54 -4.98 117.98 122.41 2yuv s PHE 28 Ca 0.04 -2.10 0.02 0.00 0.12 0.00 0.00 56.93 55.02 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 -0.08 -0.85 -0.11 0.08 -0.10 0.00 0.00 175.22 174.16 2yuv s VAL 29 N 1.17 3.38 -0.08 -0.44 1.01 -1.26 -0.81 120.40 123.36 2yuv s VAL 29 Ca -0.05 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 2yuv s VAL 29 Cb -0.18 -2.36 0.04 0.00 0.00 0.00 0.00 36.38 33.87 2yuv s VAL 29 CO -0.06 0.58 0.20 0.68 0.00 0.00 0.00 175.10 176.49 2yuv s VAL 30 N -0.79 -0.04 0.20 2.92 -7.23 -0.94 -4.48 120.40 110.04 2yuv s VAL 30 Ca 0.12 0.13 0.01 0.00 -1.81 0.00 0.00 61.98 60.43 2yuv s VAL 30 Cb -0.11 -0.31 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 2yuv s VAL 30 CO 0.01 0.05 0.37 -1.61 -0.31 0.00 0.00 175.10 173.62 2yuv s GLU 31 N 0.99 3.49 -0.07 4.82 8.01 -1.16 -1.63 118.70 133.15 2yuv s GLU 31 Ca -0.07 -0.46 0.02 0.00 0.01 0.00 0.00 54.97 54.46 2yuv s GLU 31 Cb -0.09 -2.87 0.02 0.00 -4.31 0.00 0.00 34.13 26.88 2yuv s GLU 31 CO -0.06 0.42 -0.11 -0.51 0.01 0.00 0.00 175.26 175.01 2yuv s LEU 32 N -3.45 1.53 0.54 1.80 1.43 -0.78 -2.59 118.68 117.17 2yuv s LEU 32 Ca 0.37 -0.29 0.33 0.00 -1.03 0.00 0.00 54.13 53.51 2yuv s LEU 32 Cb -0.11 -0.81 1.49 0.00 0.03 0.00 0.00 46.19 46.80 2yuv s LEU 32 CO 0.29 -0.00 1.87 0.00 0.23 0.00 0.00 176.35 178.74 2yuv h ALA 33 N 7.24 2.91 -2.65 4.21 0.00 -1.64 -3.41 119.26 125.91 2yuv h ALA 33 Ca -0.31 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 2yuv h ALA 33 Cb 1.17 0.07 -0.23 0.00 0.00 0.00 0.00 17.79 18.81 2yuv h ALA 33 CO 0.46 -1.19 -0.22 -0.51 0.00 0.00 0.00 179.25 177.79 2yuv s ASP 34 N -5.51 -0.38 0.42 0.00 1.01 -1.26 -5.03 116.67 105.92 2yuv s ASP 34 Ca -0.05 0.64 0.29 0.00 0.71 0.00 0.00 52.55 54.15 2yuv s ASP 34 Cb 0.22 0.70 1.23 0.00 1.01 0.00 0.00 42.92 46.07 2yuv s ASP 34 CO 0.78 -0.24 1.87 1.55 0.21 0.00 0.00 175.17 179.35 2yuv h PRO 35 N 4.97 0.00 0.00 8.23 0.13 -1.97 -2.89 132.00 140.48 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 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2yuv h PRO 35 CO 0.29 0.00 -0.16 0.87 -0.23 0.00 0.00 178.00 178.77 2yuv h LYS 36 N 0.00 0.00 -6.66 0.86 1.79 -1.97 -3.42 116.57 107.17 2yuv h LYS 36 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 2yuv h LYS 36 Cb 0.43 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 2yuv h LYS 36 CO 0.00 0.16 0.40 -0.51 -1.08 0.00 0.00 179.45 178.43 2yuv s LEU 37 N -8.45 4.54 0.88 2.94 1.43 -1.09 -5.05 118.68 113.88 2yuv s LEU 37 Ca -0.04 1.97 -0.10 0.00 -1.03 0.00 0.00 54.13 54.92 2yuv s LEU 37 Cb 0.15 -3.60 0.18 0.00 0.03 0.00 0.00 46.19 42.96 2yuv s LEU 37 CO 0.68 -0.06 1.21 -1.83 0.23 0.00 0.00 176.35 176.58 2yuv s GLU 38 N -0.55 0.92 0.01 1.70 4.04 -1.26 -4.97 118.70 118.60 2yuv s GLU 38 Ca 0.46 -0.75 -0.08 0.00 0.04 0.00 0.00 54.97 54.64 2yuv s GLU 38 Cb -0.27 -2.03 0.00 0.00 0.02 0.00 0.00 34.13 31.86 2yuv s GLU 38 CO 0.33 -2.12 0.16 0.14 -1.84 0.00 0.00 175.26 171.93 2yuv s VAL 39 N -3.63 0.09 -0.16 1.83 -7.23 -1.26 -4.29 120.40 105.76 2yuv s VAL 39 Ca 0.72 -0.77 -0.07 0.00 -1.81 0.00 0.00 61.98 60.05 2yuv s VAL 39 Cb -0.04 -0.61 0.07 0.00 0.56 0.00 0.00 36.38 36.37 2yuv s VAL 39 CO 0.50 -0.42 0.36 -0.54 -0.31 0.00 0.00 175.10 174.69 2yuv s LYS 40 N -1.78 0.30 -0.12 4.82 1.02 -1.10 -4.97 119.74 117.91 2yuv s LYS 40 Ca -0.11 0.83 -0.12 0.00 0.02 0.00 0.00 55.97 56.59 2yuv s LYS 40 Cb -0.05 0.08 -0.05 0.00 -0.52 0.00 0.00 37.83 37.29 2yuv s LYS 40 CO -0.00 -0.21 0.27 -1.58 -0.92 0.00 0.00 175.35 172.90 2yuv s TRP 41 N 1.99 3.55 0.09 3.18 0.52 -1.26 -2.25 118.94 124.76 2yuv s TRP 41 Ca -0.05 0.65 0.06 0.00 0.02 0.00 0.00 56.10 56.79 2yuv s TRP 41 Cb -0.11 -2.21 -0.03 0.00 -1.15 0.00 0.00 33.47 29.97 2yuv s TRP 41 CO -0.11 0.46 -0.17 0.71 0.02 0.00 0.00 176.95 177.86 2yuv s TYR 42 N -0.28 1.46 -0.35 -1.98 1.51 -1.09 -1.67 117.35 114.95 2yuv s TYR 42 Ca 0.17 -0.46 -0.00 0.00 -1.01 0.00 0.00 57.07 55.77 2yuv s TYR 42 Cb -0.13 -0.80 0.11 0.00 -0.11 0.00 0.00 41.96 41.02 2yuv s TYR 42 CO 0.06 0.13 0.14 0.21 -1.11 0.00 0.00 175.55 174.98 2yuv s LYS 43 N -1.94 0.83 -0.53 -0.62 2.20 0.72 -3.00 119.74 117.39 2yuv s LYS 43 Ca 0.03 -1.32 -0.03 0.00 -0.36 0.00 0.00 55.97 54.30 2yuv s LYS 43 Cb -0.09 -1.99 0.00 0.00 -1.51 0.00 0.00 37.83 34.24 2yuv s LYS 43 CO 0.03 -1.05 0.34 -1.71 -0.36 0.00 0.00 175.35 172.60 2yuv n ASN 44 N 4.46 -3.43 -0.64 1.43 2.85 -1.21 -3.44 115.26 115.28 2yuv n ASN 44 Ca 0.02 -0.16 -0.04 0.00 -0.11 0.00 0.00 54.58 54.29 2yuv n ASN 44 Cb 0.40 -2.14 0.00 0.00 1.24 0.00 0.00 39.78 39.28 2yuv n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2yuv n GLY 45 N -1.04 0.39 2.92 8.20 0.00 -1.26 -5.05 105.19 109.34 2yuv n GLY 45 Ca -0.02 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.55 0.08 0.22 1.61 -1.52 -1.22 -5.13 119.66 109.14 2yuv s GLN 46 Ca 0.04 0.24 -0.30 0.00 -1.95 0.00 0.00 55.36 53.38 2yuv s GLN 46 Cb -0.02 -0.09 -0.09 0.00 -0.22 0.00 0.00 33.01 32.59 2yuv s GLN 46 CO 0.04 -0.10 1.37 -2.00 -0.25 0.00 0.00 175.29 174.36 2yuv s GLU 47 N 0.66 4.33 0.01 2.91 2.12 -1.26 -0.20 118.70 127.26 2yuv s GLU 47 Ca -0.05 2.17 -0.13 0.00 0.36 0.00 0.00 54.97 57.32 2yuv s GLU 47 Cb -0.07 -3.16 -0.06 0.00 0.26 0.00 0.00 34.13 31.11 2yuv s GLU 47 CO -0.03 -0.34 0.39 0.42 -0.54 0.00 0.00 175.26 175.16 2yuv s ILE 48 N 0.11 5.08 -0.01 -3.70 1.01 -0.67 -4.88 121.20 118.14 2yuv s ILE 48 Ca 0.58 0.72 0.02 0.00 0.00 0.00 0.00 60.65 61.98 2yuv s ILE 48 Cb -0.39 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 2yuv s ILE 48 CO 0.40 0.53 -0.05 0.00 0.00 0.00 0.00 174.94 175.82 2yuv s ARG 49 N -1.23 2.63 -0.06 2.79 1.70 -1.26 -4.85 118.95 118.67 2yuv s ARG 49 Ca 0.25 -0.67 -0.30 0.00 -0.47 0.00 0.00 55.73 54.54 2yuv s ARG 49 Cb -0.16 -2.55 -0.05 0.00 -0.57 0.00 0.00 34.95 31.62 2yuv s ARG 49 CO 0.14 0.62 1.50 -1.25 -1.08 0.00 0.00 175.30 175.22 2yuv s PRO 50 N -1.35 4.22 0.39 3.89 0.04 -1.26 -4.59 135.00 136.34 2yuv s PRO 50 Ca 0.17 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 2yuv s PRO 50 Cb -0.11 -3.80 0.05 0.00 0.04 0.00 0.00 34.50 30.67 2yuv s PRO 50 CO 0.07 -0.73 0.74 0.45 0.04 0.00 0.00 177.00 177.56 2yuv n SER 51 N 6.45 -2.13 0.31 6.66 2.88 -0.82 -4.94 113.62 122.03 2yuv n SER 51 Ca 0.15 -2.68 0.10 0.00 -1.33 0.00 0.00 58.87 55.11 2yuv n SER 51 Cb 0.43 3.60 0.53 0.00 -0.75 0.00 0.00 64.21 68.03 2yuv n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yuv h THR 52 N 2.01 0.00 0.03 2.46 1.03 -2.00 0.58 112.91 117.02 2yuv h THR 52 Ca -0.33 0.00 -0.27 0.00 -0.01 0.00 0.00 66.41 65.81 2yuv h THR 52 Cb 1.24 0.43 -0.03 0.00 -1.07 0.00 0.00 68.15 68.72 2yuv h THR 52 CO 0.42 0.00 -1.46 1.17 -0.01 0.00 0.00 175.52 175.64 2yuv n LYS 53 N -2.65 0.61 -3.62 0.00 4.81 -1.26 -4.81 118.16 111.25 2yuv n LYS 53 Ca -0.01 0.50 -0.38 0.00 -0.87 0.00 0.00 58.31 57.55 2yuv n LYS 53 Cb 0.54 -1.73 -0.11 0.00 0.02 0.00 0.00 35.03 33.74 2yuv n LYS 53 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2yuv s TYR 54 N -2.41 3.21 -0.31 5.64 2.02 0.20 -2.30 117.35 123.39 2yuv s TYR 54 Ca -0.28 0.05 -0.07 0.00 -0.37 0.00 0.00 57.07 56.41 2yuv s TYR 54 Cb 0.06 -2.35 0.02 0.00 -0.40 0.00 0.00 41.96 39.29 2yuv s TYR 54 CO 0.63 -0.17 0.09 0.42 -1.57 0.00 0.00 175.55 174.95 2yuv s ILE 55 N 1.70 3.90 -0.27 2.71 -1.09 -0.52 -1.94 121.20 125.68 2yuv s ILE 55 Ca 0.07 -0.88 -0.11 0.00 -2.23 0.00 0.00 60.65 57.51 2yuv s ILE 55 Cb -0.16 -3.10 -0.05 0.00 -1.58 0.00 0.00 42.46 37.58 2yuv s ILE 55 CO 0.10 -0.03 0.18 -0.36 -1.23 0.00 0.00 174.94 173.59 2yuv s PHE 56 N 1.46 3.22 0.35 3.97 0.40 -1.26 -1.97 117.98 124.14 2yuv s PHE 56 Ca 0.01 0.09 0.09 0.00 -0.60 0.00 0.00 56.93 56.52 2yuv s PHE 56 Cb -0.18 -2.36 -0.07 0.00 0.51 0.00 0.00 43.02 40.93 2yuv s PHE 56 CO 0.03 -0.15 -0.09 -1.21 0.70 0.00 0.00 175.22 174.50 2yuv s GLU 57 N 1.67 1.83 -0.19 0.44 8.01 -0.64 -4.99 118.70 124.82 2yuv s GLU 57 Ca 0.07 -1.95 -0.02 0.00 0.01 0.00 0.00 54.97 53.08 2yuv s GLU 57 Cb -0.16 -1.70 0.06 0.00 -4.31 0.00 0.00 34.13 28.02 2yuv s GLU 57 CO 0.10 0.13 0.02 -1.58 0.01 0.00 0.00 175.26 173.94 2yuv s HIS 58 N -2.62 1.22 -0.53 1.61 2.46 -1.26 -2.76 115.29 113.42 2yuv s HIS 58 Ca 0.33 -0.96 0.04 0.00 0.47 0.00 0.00 55.06 54.93 2yuv s HIS 58 Cb 0.03 -1.10 0.15 0.00 -0.13 0.00 0.00 32.58 31.52 2yuv s HIS 58 CO 0.17 -0.62 0.33 0.15 -2.47 0.00 0.00 174.74 172.29 2yuv s LYS 59 N 1.79 1.70 -0.07 2.88 -0.14 -0.09 -4.96 119.74 120.85 2yuv s LYS 59 Ca -0.01 -2.52 -0.03 0.00 -1.36 0.00 0.00 55.97 52.05 2yuv s LYS 59 Cb -0.17 -2.71 0.01 0.00 -1.68 0.00 0.00 37.83 33.28 2yuv s LYS 59 CO -0.08 -1.22 0.05 0.41 -0.76 0.00 0.00 175.35 173.76 2yuv n GLY 60 N 2.92 -1.62 3.00 -3.33 0.00 -1.26 -2.33 105.19 102.57 2yuv n GLY 60 Ca 0.14 0.45 -0.11 0.00 0.00 0.00 0.00 46.02 46.50 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 -5.47 0.62 -0.28 0.00 0.74 -0.98 -1.86 119.66 112.42 2yuv s GLN 62 Ca 0.22 -0.73 -0.19 0.00 0.05 0.00 0.00 55.36 54.72 2yuv s GLN 62 Cb -0.13 -1.91 -0.02 0.00 1.10 0.00 0.00 33.01 32.05 2yuv s GLN 62 CO 0.27 -0.85 0.54 1.03 -0.55 0.00 0.00 175.29 175.74 2yuv s ARG 63 N 1.79 4.00 -0.08 1.67 1.81 -0.64 -0.92 118.95 126.57 2yuv s ARG 63 Ca 0.05 0.29 -0.00 0.00 -1.72 0.00 0.00 55.73 54.35 2yuv s ARG 63 Cb -0.17 -3.68 -0.03 0.00 -0.45 0.00 0.00 34.95 30.62 2yuv s ARG 63 CO -0.20 -0.43 -0.04 0.42 -0.68 0.00 0.00 175.30 174.37 2yuv s ILE 64 N 2.39 3.92 -0.07 1.52 1.01 -1.11 -2.22 121.20 126.64 2yuv s ILE 64 Ca 0.22 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.50 2yuv s ILE 64 Cb -0.15 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.70 2yuv s ILE 64 CO 0.10 0.59 -0.12 -0.22 0.00 0.00 0.00 174.94 175.29 2yuv s LEU 65 N -0.74 1.61 -0.11 2.97 1.98 0.00 -1.62 118.68 122.77 2yuv s LEU 65 Ca 0.11 -0.31 0.02 0.00 -2.89 0.00 0.00 54.13 51.07 2yuv s LEU 65 Cb -0.11 -0.84 -0.01 0.00 0.66 0.00 0.00 46.19 45.89 2yuv s LEU 65 CO 0.02 0.02 -0.19 -0.36 -1.89 0.00 0.00 176.35 173.94 2yuv s PHE 66 N 0.78 2.67 -0.26 5.38 0.08 -0.83 -1.47 117.98 124.32 2yuv s PHE 66 Ca -0.12 -0.88 -0.00 0.00 0.12 0.00 0.00 56.93 56.04 2yuv s PHE 66 Cb -0.15 -1.77 0.04 0.00 -0.57 0.00 0.00 43.02 40.57 2yuv s PHE 66 CO 0.02 -0.34 -0.06 0.42 -0.10 0.00 0.00 175.22 175.16 2yuv s ILE 67 N 0.36 2.68 0.65 0.64 1.01 -1.20 -1.44 121.20 123.91 2yuv s ILE 67 Ca -0.15 -1.29 -0.07 0.00 0.00 0.00 0.00 60.65 59.14 2yuv s ILE 67 Cb -0.17 -2.46 0.04 0.00 0.01 0.00 0.00 42.46 39.87 2yuv s ILE 67 CO 0.07 0.06 0.97 0.20 0.00 0.00 0.00 174.94 176.25 2yuv s ASN 68 N 1.24 5.19 -1.18 3.58 0.01 -0.97 -2.52 114.94 120.29 2yuv s ASN 68 Ca -0.04 0.61 -0.04 0.00 -0.71 0.00 0.00 52.86 52.68 2yuv s ASN 68 Cb -0.18 -1.41 0.00 0.00 0.41 0.00 0.00 41.25 40.07 2yuv s ASN 68 CO -0.04 -1.35 1.01 0.59 -1.51 0.00 0.00 177.10 175.80 2yuv n ASN 69 N -2.78 -4.22 -4.55 -1.22 3.02 -0.71 -4.87 115.26 99.93 2yuv n ASN 69 Ca 0.06 -0.53 -0.34 0.00 -0.03 0.00 0.00 54.58 53.74 2yuv n ASN 69 Cb 0.59 -4.70 -0.04 0.00 -0.61 0.00 0.00 39.78 35.02 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 7.42 2.24 0.59 0.00 2.00 -1.26 0.23 119.66 130.88 2yuv s GLN 71 Ca 0.76 -1.72 0.32 0.00 -2.00 0.00 0.00 55.36 52.72 2yuv s GLN 71 Cb -0.12 -2.04 1.21 0.00 0.80 0.00 0.00 33.01 32.85 2yuv s GLN 71 CO 0.17 0.02 1.47 0.52 -0.50 0.00 0.00 175.29 176.97 2yuv h MET 72 N 1.55 0.00 0.04 1.67 2.86 -1.89 1.47 114.93 120.64 2yuv h MET 72 Ca -0.43 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 56.94 2yuv h MET 72 Cb 1.25 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.93 2yuv h MET 72 CO 0.67 0.00 -1.10 1.79 1.06 0.00 0.00 176.91 179.33 2yuv h THR 73 N 0.00 1.31 -0.98 2.22 1.35 -1.95 -3.25 112.91 111.62 2yuv h THR 73 Ca 0.55 -2.39 0.17 0.00 -0.55 0.00 0.00 66.41 64.19 2yuv h THR 73 Cb 2.82 2.51 -0.09 0.00 -1.73 0.00 0.00 68.15 71.66 2yuv h THR 73 CO -0.01 0.73 0.61 -0.78 -0.25 0.00 0.00 175.52 175.83 2yuv h ASP 74 N 0.31 0.74 -0.14 5.36 3.58 0.17 -3.38 116.42 123.07 2yuv h ASP 74 Ca -0.14 0.07 -0.15 0.00 0.42 0.00 0.00 57.03 57.23 2yuv h ASP 74 Cb 1.76 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 42.69 2yuv h ASP 74 CO 0.21 0.31 0.95 -0.67 -2.88 0.00 0.00 179.24 177.15 2yuv n ASP 75 N -4.67 -0.01 -4.22 2.28 2.03 -1.18 -4.82 116.55 105.97 2yuv n ASP 75 Ca 0.21 -1.20 -0.13 0.00 0.52 0.00 0.00 54.79 54.19 2yuv n ASP 75 Cb 0.54 -1.09 -0.10 0.00 -0.72 0.00 0.00 41.12 39.75 2yuv n ASP 75 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2yuv s SER 76 N 4.99 0.92 -0.52 1.67 1.04 -1.26 -4.95 113.70 115.59 2yuv s SER 76 Ca 0.97 -1.21 -0.25 0.00 0.48 0.00 0.00 55.95 55.95 2yuv s SER 76 Cb -0.40 0.18 0.04 0.00 0.10 0.00 0.00 66.02 65.93 2yuv s SER 76 CO 0.28 -0.64 0.95 -0.70 0.98 0.00 0.00 173.24 174.11 2yuv s GLU 77 N -3.97 3.40 0.02 4.02 2.12 -1.26 -3.59 118.70 119.44 2yuv s GLU 77 Ca 0.26 -0.12 -0.06 0.00 0.36 0.00 0.00 54.97 55.40 2yuv s GLU 77 Cb 0.07 -4.01 -0.05 0.00 0.26 0.00 0.00 34.13 30.40 2yuv s GLU 77 CO 0.04 -1.41 0.28 0.71 -0.54 0.00 0.00 175.26 174.34 2yuv s TYR 78 N 3.93 3.57 -0.14 5.30 1.51 -1.18 -3.29 117.35 127.05 2yuv s TYR 78 Ca 0.33 0.58 -0.08 0.00 -1.01 0.00 0.00 57.07 56.89 2yuv s TYR 78 Cb -0.12 -2.00 0.05 0.00 -0.11 0.00 0.00 41.96 39.79 2yuv s TYR 78 CO 0.22 0.59 0.35 1.52 -1.11 0.00 0.00 175.55 177.12 2yuv s TYR 79 N -1.33 -0.49 0.27 2.71 1.13 -1.16 -0.35 117.35 118.13 2yuv s TYR 79 Ca 0.29 1.08 0.06 0.00 -1.41 0.00 0.00 57.07 57.09 2yuv s TYR 79 Cb -0.13 0.18 -0.03 0.00 -1.10 0.00 0.00 41.96 40.88 2yuv s TYR 79 CO 0.17 -0.29 0.31 0.54 -2.51 0.00 0.00 175.55 173.77 2yuv s VAL 80 N 1.23 4.50 0.00 -3.49 0.11 -0.50 -2.69 120.40 119.56 2yuv s VAL 80 Ca -0.09 -1.20 0.03 0.00 -2.93 0.00 0.00 61.98 57.80 2yuv s VAL 80 Cb -0.08 -3.51 -0.01 0.00 -1.53 0.00 0.00 36.38 31.24 2yuv s VAL 80 CO -0.10 -0.28 -0.11 0.42 -3.33 0.00 0.00 175.10 171.70 2yuv s THR 81 N -2.12 0.86 -0.22 5.04 -4.23 -0.96 -2.23 115.64 111.79 2yuv s THR 81 Ca 0.36 -0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 60.27 2yuv s THR 81 Cb -0.08 -0.74 0.12 0.00 1.34 0.00 0.00 72.50 73.13 2yuv s THR 81 CO 0.27 0.17 0.36 0.00 -0.54 0.00 0.00 174.62 174.89 2yuv s ALA 82 N -0.40 -0.99 0.00 3.99 0.00 -0.10 -2.69 121.76 121.57 2yuv s ALA 82 Ca 0.03 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2yuv s ALA 82 Cb -0.05 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.54 2yuv s ALA 82 CO -0.00 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.05 2yuv n GLY 83 N 5.36 1.11 0.00 0.00 0.00 -1.26 -1.60 105.19 108.81 2yuv n GLY 83 Ca -0.05 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 8.91 1.62 -4.48 1.61 9.92 -1.26 -5.04 116.55 127.82 2yuv n ASP 84 Ca 0.00 -1.74 -0.24 0.00 -0.53 0.00 0.00 54.79 52.28 2yuv n ASP 84 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 2yuv n ASP 84 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2yuv s GLU 85 N -0.74 1.73 -0.14 -1.24 0.41 -0.63 -5.10 118.70 112.99 2yuv s GLU 85 Ca 0.00 -1.74 -0.29 0.00 -0.41 0.00 0.00 54.97 52.53 2yuv s GLU 85 Cb 0.00 -1.80 0.08 0.00 -1.78 0.00 0.00 34.13 30.63 2yuv s GLU 85 CO 0.00 0.33 0.75 -1.59 -0.49 0.00 0.00 175.26 174.26 2yuv s LYS 86 N -3.51 0.92 0.20 1.61 -2.85 -1.26 -0.92 119.74 113.92 2yuv s LYS 86 Ca 0.30 0.47 0.02 0.00 -1.00 0.00 0.00 55.97 55.76 2yuv s LYS 86 Cb -0.05 0.44 -0.05 0.00 -2.06 0.00 0.00 37.83 36.11 2yuv s LYS 86 CO 0.15 -0.23 0.03 0.00 0.10 0.00 0.00 175.35 175.40 2yuv s SER 88 N -3.22 0.99 0.29 0.00 0.15 -1.26 -1.41 113.70 109.23 2yuv s SER 88 Ca 0.28 -1.37 -0.09 0.00 0.70 0.00 0.00 55.95 55.47 2yuv s SER 88 Cb 0.07 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 2yuv s SER 88 CO 0.07 -0.74 0.49 0.28 1.20 0.00 0.00 173.24 174.54 2yuv s THR 89 N -3.83 0.00 -0.12 6.45 -1.32 0.52 -4.79 115.64 112.55 2yuv s THR 89 Ca 0.37 -1.46 0.01 0.00 -1.21 0.00 0.00 61.69 59.40 2yuv s THR 89 Cb 0.08 -2.41 0.02 0.00 -1.51 0.00 0.00 72.50 68.67 2yuv s THR 89 CO 0.13 0.00 -0.15 -1.61 -2.21 0.00 0.00 174.62 170.78 2yuv s GLU 90 N -3.59 2.26 -0.14 7.08 2.02 -1.26 -3.10 118.70 121.97 2yuv s GLU 90 Ca 0.25 -0.56 -0.12 0.00 0.02 0.00 0.00 54.97 54.56 2yuv s GLU 90 Cb -0.01 -1.96 -0.05 0.00 0.10 0.00 0.00 34.13 32.22 2yuv s GLU 90 CO 0.13 -0.11 0.25 -1.17 0.02 0.00 0.00 175.26 174.38 2yuv s LEU 91 N 1.13 4.29 -0.39 1.80 1.98 -1.24 -0.38 118.68 125.88 2yuv s LEU 91 Ca -0.03 0.51 0.02 0.00 -2.89 0.00 0.00 54.13 51.74 2yuv s LEU 91 Cb -0.14 -2.30 0.11 0.00 0.66 0.00 0.00 46.19 44.52 2yuv s LEU 91 CO -0.04 0.19 0.15 -0.36 -1.89 0.00 0.00 176.35 174.40 2yuv s PHE 92 N 0.01 2.70 -0.24 5.38 0.08 -0.74 -4.36 117.98 120.81 2yuv s PHE 92 Ca 0.16 -2.58 -0.17 0.00 0.12 0.00 0.00 56.93 54.46 2yuv s PHE 92 Cb -0.13 -2.35 -0.03 0.00 -0.57 0.00 0.00 43.02 39.94 2yuv s PHE 92 CO 0.04 -0.85 0.47 0.54 -0.10 0.00 0.00 175.22 175.31 2yuv s VAL 93 N 0.73 5.12 0.75 -0.44 0.11 -1.26 -2.48 120.40 122.92 2yuv s VAL 93 Ca 0.13 0.80 -0.12 0.00 -2.93 0.00 0.00 61.98 59.87 2yuv s VAL 93 Cb -0.21 -3.79 0.04 0.00 -1.53 0.00 0.00 36.38 30.89 2yuv s VAL 93 CO -0.09 0.15 1.13 -0.13 -3.33 0.00 0.00 175.10 172.82 2yuv s ARG 94 N 1.96 2.49 -0.37 1.54 0.52 -0.51 -4.73 118.95 119.85 2yuv s ARG 94 Ca 0.20 0.30 -0.03 0.00 -0.52 0.00 0.00 55.73 55.68 2yuv s ARG 94 Cb -0.15 -2.00 0.09 0.00 0.52 0.00 0.00 34.95 33.40 2yuv s ARG 94 CO 0.09 -1.26 0.15 -1.54 0.02 0.00 0.00 175.30 172.76 2yuv s SER 95 N -4.45 5.20 0.52 0.23 1.04 -1.26 -1.79 113.70 113.18 2yuv s SER 95 Ca 0.60 -1.71 -0.23 0.00 0.48 0.00 0.00 55.95 55.09 2yuv s SER 95 Cb -0.11 -1.82 -0.06 0.00 0.10 0.00 0.00 66.02 64.14 2yuv s SER 95 CO 0.50 -0.45 1.36 -0.83 0.98 0.00 0.00 173.24 174.80 2yuv s GLY 96 N 1.66 2.89 0.98 7.32 0.00 -1.26 -4.97 107.32 113.94 2yuv s GLY 96 Ca 0.03 1.33 -0.12 0.00 0.00 0.00 0.00 44.72 45.96 2yuv s GLY 96 CO -0.02 1.86 1.09 2.56 0.00 0.00 0.00 173.10 178.59 2yuv s PRO 97 N -2.78 0.57 0.18 2.90 0.04 -1.26 -5.05 135.00 129.59 2yuv s PRO 97 Ca 0.68 0.58 0.04 0.00 0.04 0.00 0.00 61.00 62.34 2yuv s PRO 97 Cb -0.40 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 2yuv s PRO 97 CO 0.48 -2.65 -0.07 0.45 0.04 0.00 0.00 177.00 175.26 2yuv s SER 98 N -3.44 1.83 -0.04 6.66 0.15 -1.26 -5.08 113.70 112.51 2yuv s SER 98 Ca 0.65 -1.08 -0.18 0.00 0.70 0.00 0.00 55.95 56.04 2yuv s SER 98 Cb -0.18 -0.01 -0.12 0.00 -1.71 0.00 0.00 66.02 64.00 2yuv s SER 98 CO 0.57 -0.39 0.75 0.28 1.20 0.00 0.00 173.24 175.66 2yuv h SER 99 N 2.67 -0.30 0.00 5.45 0.02 -2.07 -3.58 113.55 115.73 2yuv h SER 99 Ca -0.37 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2yuv h SER 99 Cb 1.20 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2yuv h SER 99 CO 0.64 0.19 0.00 0.61 -1.14 0.00 0.00 176.83 177.13