#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuv n SER 2 N 0.00 6.31 -4.13 1.61 7.64 -1.26 -4.91 113.62 118.89 2yuv n SER 2 Ca 0.00 -3.78 -0.38 0.00 1.01 0.00 0.00 58.87 55.72 2yuv n SER 2 Cb 0.00 -0.75 -0.09 0.00 -1.01 0.00 0.00 64.21 62.36 2yuv n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yuv s SER 3 N -2.38 5.41 0.43 6.43 0.15 -1.26 -5.05 113.70 117.44 2yuv s SER 3 Ca 0.53 -2.71 0.00 0.00 0.70 0.00 0.00 55.95 54.47 2yuv s SER 3 Cb 0.44 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 2yuv s SER 3 CO -0.19 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.44 2yuv n GLY 4 N 3.71 0.98 3.32 9.45 0.00 -1.26 -4.82 105.19 116.57 2yuv n GLY 4 Ca 0.07 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 2yuv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yuv s SER 5 N -4.00 1.98 -0.18 1.61 1.04 -1.26 -5.14 113.70 107.75 2yuv s SER 5 Ca 0.00 -1.14 0.01 0.00 0.48 0.00 0.00 55.95 55.30 2yuv s SER 5 Cb 0.00 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.11 2yuv s SER 5 CO 0.00 -0.42 -0.19 -0.55 0.98 0.00 0.00 173.24 173.06 2yuv s SER 6 N -3.28 3.19 0.00 7.02 0.15 -1.26 -5.10 113.70 114.42 2yuv s SER 6 Ca 0.25 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.26 2yuv s SER 6 Cb 0.04 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.86 2yuv s SER 6 CO 0.07 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2yuv n GLY 7 N 4.61 0.61 3.44 9.45 0.00 -1.26 -5.14 105.19 116.90 2yuv n GLY 7 Ca -0.21 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.37 -2.77 -0.07 4.61 0.00 -1.26 -5.05 121.76 113.85 2yuv s ALA 8 Ca 0.00 2.00 0.06 0.00 0.00 0.00 0.00 51.96 54.01 2yuv s ALA 8 Cb 0.00 -2.04 -0.08 0.00 0.00 0.00 0.00 23.12 21.00 2yuv s ALA 8 CO 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 175.76 175.07 2yuv n ALA 9 N 4.22 1.83 -2.61 0.00 0.00 -1.26 -4.79 120.51 117.91 2yuv n ALA 9 Ca -0.12 -0.44 -0.38 0.00 0.00 0.00 0.00 53.44 52.50 2yuv n ALA 9 Cb 0.55 0.12 -0.11 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.16 3.22 -0.27 0.00 0.08 -1.26 -1.27 117.98 116.31 2yuv s PHE 10 Ca -0.04 0.09 0.20 0.00 0.12 0.00 0.00 56.93 57.30 2yuv s PHE 10 Cb 0.02 -2.38 0.11 0.00 -0.57 0.00 0.00 43.02 40.20 2yuv s PHE 10 CO 0.27 -0.17 1.31 0.00 -0.10 0.00 0.00 175.22 176.52 2yuv h ALA 11 N 8.37 0.74 -1.76 5.36 0.00 -1.70 -3.44 119.26 126.82 2yuv h ALA 11 Ca -0.35 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.18 2yuv h ALA 11 Cb 1.19 0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.71 2yuv h ALA 11 CO 0.55 0.29 -0.48 0.21 0.00 0.00 0.00 179.25 179.83 2yuv s LYS 12 N -3.14 0.39 0.50 0.00 2.36 -1.23 -4.88 119.74 113.73 2yuv s LYS 12 Ca 0.03 0.45 -0.18 0.00 -2.55 0.00 0.00 55.97 53.71 2yuv s LYS 12 Cb 0.07 -0.34 -0.08 0.00 -1.05 0.00 0.00 37.83 36.43 2yuv s LYS 12 CO 0.74 -0.76 0.99 0.96 1.55 0.00 0.00 175.35 178.83 2yuv s ILE 13 N 2.57 4.28 0.49 5.43 -4.36 -1.26 -2.14 121.20 126.21 2yuv s ILE 13 Ca 0.12 1.23 -0.24 0.00 -0.26 0.00 0.00 60.65 61.50 2yuv s ILE 13 Cb -0.14 -3.60 -0.07 0.00 1.25 0.00 0.00 42.46 39.90 2yuv s ILE 13 CO -0.21 -0.49 1.41 0.18 0.24 0.00 0.00 174.94 176.07 2yuv n LEU 14 N -1.29 5.33 -4.20 0.37 4.77 -1.26 -4.93 117.00 115.79 2yuv n LEU 14 Ca 0.07 1.06 -0.35 0.00 -0.03 0.00 0.00 56.01 56.77 2yuv n LEU 14 Cb 0.54 -1.60 0.08 0.00 -2.33 0.00 0.00 43.42 40.11 2yuv n LEU 14 CO 0.43 -0.31 -0.75 0.47 -1.33 0.00 0.00 177.39 175.90 2yuv n ASP 15 N -0.53 -4.04 0.26 -1.43 9.92 -1.26 -4.78 116.55 114.70 2yuv n ASP 15 Ca 0.07 0.24 0.17 0.00 -0.53 0.00 0.00 54.79 54.74 2yuv n ASP 15 Cb 0.43 -0.97 0.69 0.00 -0.64 0.00 0.00 41.12 40.63 2yuv n ASP 15 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2yuv h PRO 16 N -1.29 0.00 -1.25 -0.24 0.13 -1.91 -3.40 132.00 124.03 2yuv h PRO 16 Ca -0.44 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.84 2yuv h PRO 16 Cb 1.29 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.12 2yuv h PRO 16 CO 0.29 0.00 0.71 0.00 -0.23 0.00 0.00 178.00 178.76 2yuv s ALA 17 N -3.65 -2.23 0.45 -0.56 0.00 -1.26 -3.61 121.76 110.89 2yuv s ALA 17 Ca 0.01 1.82 0.07 0.00 0.00 0.00 0.00 51.96 53.87 2yuv s ALA 17 Cb 0.09 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.48 2yuv s ALA 17 CO 0.52 -0.19 0.34 0.71 0.00 0.00 0.00 175.76 177.14 2yuv s TYR 18 N 0.35 2.43 -0.17 0.00 1.51 0.14 -4.95 117.35 116.65 2yuv s TYR 18 Ca 0.03 -0.60 -0.07 0.00 -1.01 0.00 0.00 57.07 55.42 2yuv s TYR 18 Cb -0.04 -2.06 0.08 0.00 -0.11 0.00 0.00 41.96 39.82 2yuv s TYR 18 CO -0.12 -0.14 0.37 -0.65 -1.11 0.00 0.00 175.55 173.90 2yuv s GLN 19 N -4.11 0.29 0.20 -0.62 1.11 -1.26 -2.41 119.66 112.85 2yuv s GLN 19 Ca 0.43 0.90 -0.01 0.00 0.01 0.00 0.00 55.36 56.70 2yuv s GLN 19 Cb -0.01 0.17 -0.04 0.00 -1.01 0.00 0.00 33.01 32.11 2yuv s GLN 19 CO 0.25 -0.24 0.12 0.54 0.01 0.00 0.00 175.29 175.97 2yuv s VAL 20 N 2.30 0.05 0.07 1.09 0.11 -1.02 -5.02 120.40 117.99 2yuv s VAL 20 Ca -0.03 -1.99 -0.19 0.00 -2.93 0.00 0.00 61.98 56.84 2yuv s VAL 20 Cb -0.11 -2.47 -0.07 0.00 -1.53 0.00 0.00 36.38 32.20 2yuv s VAL 20 CO -0.12 -0.04 0.56 1.51 -3.33 0.00 0.00 175.10 173.69 2yuv s ASP 21 N -3.16 7.06 0.93 3.54 -4.77 -1.26 -2.15 116.67 116.85 2yuv s ASP 21 Ca 0.38 1.25 -0.16 0.00 -3.30 0.00 0.00 52.55 50.71 2yuv s ASP 21 Cb 0.07 -2.36 -0.14 0.00 -1.09 0.00 0.00 42.92 39.40 2yuv s ASP 21 CO 0.11 0.27 -0.73 1.17 0.70 0.00 0.00 175.17 176.69 2yuv n LYS 22 N 1.75 0.00 -3.37 2.11 4.81 -0.65 -0.99 118.16 121.83 2yuv n LYS 22 Ca -0.10 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.10 2yuv n LYS 22 Cb 0.51 -0.96 -0.04 0.00 0.02 0.00 0.00 35.03 34.55 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 3.30 -0.36 0.00 3.14 0.00 0.87 -4.83 105.19 107.31 2yuv n GLY 23 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.77 3.57 2.92 -0.02 0.00 -0.16 -4.58 105.19 106.14 2yuv n GLY 24 Ca 0.06 -1.82 -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 3.27 0.09 0.50 1.61 3.52 -1.26 -1.99 118.95 124.68 2yuv s ARG 25 Ca 0.00 0.55 0.03 0.00 -0.13 0.00 0.00 55.73 56.18 2yuv s ARG 25 Cb 0.00 -0.18 0.02 0.00 -1.56 0.00 0.00 34.95 33.23 2yuv s ARG 25 CO 0.00 -0.25 0.70 0.14 -0.81 0.00 0.00 175.30 175.08 2yuv s VAL 26 N 1.91 2.99 -0.11 7.11 -7.23 -1.19 -4.94 120.40 118.94 2yuv s VAL 26 Ca -0.02 -0.74 -0.00 0.00 -1.81 0.00 0.00 61.98 59.41 2yuv s VAL 26 Cb -0.12 -3.08 0.02 0.00 0.56 0.00 0.00 36.38 33.76 2yuv s VAL 26 CO -0.07 -0.05 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.00 2yuv s ARG 27 N -4.61 1.42 -0.27 4.82 3.52 -1.26 -3.55 118.95 119.01 2yuv s ARG 27 Ca 0.55 -0.22 0.02 0.00 -0.13 0.00 0.00 55.73 55.96 2yuv s ARG 27 Cb -0.10 -1.50 0.07 0.00 -1.56 0.00 0.00 34.95 31.86 2yuv s ARG 27 CO 0.37 -0.26 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.49 2yuv s PHE 28 N 1.69 3.03 0.07 5.12 0.08 0.47 -4.98 117.98 123.45 2yuv s PHE 28 Ca 0.04 -2.27 0.09 0.00 0.12 0.00 0.00 56.93 54.91 2yuv s PHE 28 Cb -0.13 -2.02 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 2yuv s PHE 28 CO -0.07 -0.86 -0.25 0.54 -0.10 0.00 0.00 175.22 174.48 2yuv s VAL 29 N 1.17 2.02 0.04 -0.44 0.11 -1.26 0.79 120.40 122.83 2yuv s VAL 29 Ca -0.03 -1.44 -0.02 0.00 -2.93 0.00 0.00 61.98 57.56 2yuv s VAL 29 Cb -0.19 -1.76 -0.02 0.00 -1.53 0.00 0.00 36.38 32.88 2yuv s VAL 29 CO -0.07 0.23 0.01 0.68 -3.33 0.00 0.00 175.10 172.62 2yuv s VAL 30 N -0.89 0.16 0.22 2.04 -7.23 -0.23 -4.57 120.40 109.89 2yuv s VAL 30 Ca 0.11 -1.29 0.05 0.00 -1.81 0.00 0.00 61.98 59.04 2yuv s VAL 30 Cb -0.10 -0.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 2yuv s VAL 30 CO 0.03 -0.71 0.24 -0.70 -0.31 0.00 0.00 175.10 173.65 2yuv s GLU 31 N -2.69 3.13 -0.04 4.82 2.12 -0.91 -1.96 118.70 123.17 2yuv s GLU 31 Ca -0.04 -0.87 0.02 0.00 0.36 0.00 0.00 54.97 54.44 2yuv s GLU 31 Cb -0.01 -2.72 0.01 0.00 0.26 0.00 0.00 34.13 31.67 2yuv s GLU 31 CO -0.05 0.44 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.50 2yuv s LEU 32 N -3.63 1.68 0.55 2.70 1.43 -1.22 -2.16 118.68 118.03 2yuv s LEU 32 Ca 0.33 -0.22 0.36 0.00 -1.03 0.00 0.00 54.13 53.57 2yuv s LEU 32 Cb -0.09 -0.64 1.70 0.00 0.03 0.00 0.00 46.19 47.19 2yuv s LEU 32 CO 0.26 0.04 2.08 0.00 0.23 0.00 0.00 176.35 178.96 2yuv h ALA 33 N 6.67 1.00 -2.43 4.21 0.00 -1.49 -3.43 119.26 123.79 2yuv h ALA 33 Ca -0.34 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2yuv h ALA 33 Cb 1.17 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.74 2yuv h ALA 33 CO 0.48 0.00 -0.09 -0.51 0.00 0.00 0.00 179.25 179.13 2yuv s ASP 34 N -5.24 -0.53 0.39 0.00 1.01 -1.26 -5.04 116.67 105.99 2yuv s ASP 34 Ca -0.01 0.97 0.18 0.00 0.71 0.00 0.00 52.55 54.39 2yuv s ASP 34 Cb 0.10 0.98 0.78 0.00 1.01 0.00 0.00 42.92 45.79 2yuv s ASP 34 CO 0.46 -0.24 1.80 1.55 0.21 0.00 0.00 175.17 178.95 2yuv h PRO 35 N 5.02 0.00 0.00 8.23 0.13 -1.97 -2.86 132.00 140.54 2yuv h PRO 35 Ca -0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 2yuv h PRO 35 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2yuv h PRO 35 CO 0.21 0.36 -0.12 0.87 -0.23 0.00 0.00 178.00 179.09 2yuv h LYS 36 N 0.00 0.00 -6.65 0.86 1.57 -1.99 -3.43 116.57 106.93 2yuv h LYS 36 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2yuv h LYS 36 Cb 0.76 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.11 2yuv h LYS 36 CO 0.05 0.12 0.74 -0.51 -0.57 0.00 0.00 179.45 179.28 2yuv s LEU 37 N -8.06 4.39 0.73 2.94 1.43 -1.08 -5.01 118.68 114.02 2yuv s LEU 37 Ca -0.04 2.50 -0.09 0.00 -1.03 0.00 0.00 54.13 55.48 2yuv s LEU 37 Cb 0.15 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.83 2yuv s LEU 37 CO 0.63 -0.66 1.07 -1.83 0.23 0.00 0.00 176.35 175.79 2yuv s GLU 38 N 0.32 2.19 0.01 1.70 1.03 -1.26 -4.96 118.70 117.72 2yuv s GLU 38 Ca 0.62 -0.08 0.00 0.00 0.03 0.00 0.00 54.97 55.54 2yuv s GLU 38 Cb -0.39 -2.09 -0.01 0.00 -0.80 0.00 0.00 34.13 30.83 2yuv s GLU 38 CO 0.37 -1.32 -0.02 0.14 -1.33 0.00 0.00 175.26 173.10 2yuv s VAL 39 N -3.35 0.10 -0.11 1.83 -7.23 -1.26 -4.14 120.40 106.25 2yuv s VAL 39 Ca 0.60 -0.32 -0.05 0.00 -1.81 0.00 0.00 61.98 60.41 2yuv s VAL 39 Cb -0.11 -0.14 0.05 0.00 0.56 0.00 0.00 36.38 36.74 2yuv s VAL 39 CO 0.46 -0.14 0.23 -0.54 -0.31 0.00 0.00 175.10 174.81 2yuv s LYS 40 N -0.48 0.15 -0.10 4.82 1.02 -1.06 -4.97 119.74 119.12 2yuv s LYS 40 Ca -0.05 0.60 -0.13 0.00 0.02 0.00 0.00 55.97 56.41 2yuv s LYS 40 Cb -0.03 -0.12 -0.05 0.00 -0.52 0.00 0.00 37.83 37.11 2yuv s LYS 40 CO -0.00 -0.23 0.31 -1.58 -0.92 0.00 0.00 175.35 172.93 2yuv s TRP 41 N 1.81 3.58 0.18 3.18 0.52 -1.26 -2.13 118.94 124.81 2yuv s TRP 41 Ca -0.04 0.73 0.07 0.00 0.02 0.00 0.00 56.10 56.88 2yuv s TRP 41 Cb -0.11 -2.25 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 2yuv s TRP 41 CO -0.08 0.47 -0.15 0.71 0.02 0.00 0.00 176.95 177.92 2yuv s TYR 42 N -0.33 1.66 -0.02 -1.98 1.51 -1.00 -0.84 117.35 116.35 2yuv s TYR 42 Ca 0.19 -0.55 0.02 0.00 -1.01 0.00 0.00 57.07 55.72 2yuv s TYR 42 Cb -0.14 -0.81 0.01 0.00 -0.11 0.00 0.00 41.96 40.91 2yuv s TYR 42 CO 0.07 0.30 -0.07 0.21 -1.11 0.00 0.00 175.55 174.95 2yuv s LYS 43 N -3.23 0.80 0.00 -0.62 2.47 0.11 -3.37 119.74 115.89 2yuv s LYS 43 Ca 0.18 -0.23 0.00 0.00 -1.56 0.00 0.00 55.97 54.36 2yuv s LYS 43 Cb -0.03 -0.77 0.00 0.00 -1.46 0.00 0.00 37.83 35.58 2yuv s LYS 43 CO 0.06 0.07 0.00 -1.71 0.16 0.00 0.00 175.35 173.93 2yuv n ASN 44 N 3.38 -0.55 -0.15 1.43 5.15 -1.26 0.23 115.26 123.49 2yuv n ASN 44 Ca -0.19 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 2yuv n ASN 44 Cb 0.54 -0.75 0.00 0.00 -0.53 0.00 0.00 39.78 39.04 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 -0.28 1.00 3.10 8.20 0.00 -1.26 -5.08 105.19 110.86 2yuv n GLY 45 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.91 0.21 0.43 1.61 -0.21 0.64 -5.14 119.66 114.29 2yuv s GLN 46 Ca 0.00 0.81 -0.21 0.00 0.02 0.00 0.00 55.36 55.97 2yuv s GLN 46 Cb 0.00 0.05 -0.14 0.00 1.00 0.00 0.00 33.01 33.93 2yuv s GLN 46 CO 0.00 -0.26 0.28 -1.91 -2.12 0.00 0.00 175.29 171.29 2yuv n GLU 47 N 5.18 0.25 -4.39 2.91 2.13 -1.26 0.05 120.64 125.51 2yuv n GLU 47 Ca -0.10 0.09 -0.35 0.00 0.66 0.00 0.00 57.16 57.46 2yuv n GLU 47 Cb 0.50 -1.24 -0.10 0.00 0.27 0.00 0.00 31.44 30.88 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 -1.62 4.28 -0.10 6.31 1.01 -0.02 -4.67 121.20 126.40 2yuv s ILE 48 Ca 0.61 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.96 2yuv s ILE 48 Cb -0.61 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 2yuv s ILE 48 CO 0.60 0.60 0.07 -0.13 0.00 0.00 0.00 174.94 176.09 2yuv s ARG 49 N -0.87 3.19 -0.26 2.79 0.52 -1.26 -4.81 118.95 118.25 2yuv s ARG 49 Ca 0.13 -0.28 -0.29 0.00 -0.52 0.00 0.00 55.73 54.77 2yuv s ARG 49 Cb -0.11 -2.98 -0.02 0.00 0.52 0.00 0.00 34.95 32.36 2yuv s ARG 49 CO 0.02 0.74 1.63 -1.25 0.02 0.00 0.00 175.30 176.46 2yuv s PRO 50 N -0.95 3.70 0.22 3.54 0.04 -1.26 -4.75 135.00 135.53 2yuv s PRO 50 Ca 0.14 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 62.66 2yuv s PRO 50 Cb -0.12 -4.06 -0.02 0.00 0.04 0.00 0.00 34.50 30.35 2yuv s PRO 50 CO 0.03 -1.41 0.33 -1.12 0.04 0.00 0.00 177.00 174.87 2yuv s SER 51 N 4.52 0.01 0.54 6.66 0.01 -1.22 -4.98 113.70 119.23 2yuv s SER 51 Ca 0.72 -1.06 0.43 0.00 1.31 0.00 0.00 55.95 57.35 2yuv s SER 51 Cb -0.23 0.49 1.62 0.00 0.21 0.00 0.00 66.02 68.11 2yuv s SER 51 CO 0.30 -1.00 1.67 0.74 0.41 0.00 0.00 173.24 175.36 2yuv h THR 52 N 2.42 0.17 -0.22 1.44 2.02 -2.01 1.24 112.91 117.97 2yuv h THR 52 Ca -0.30 -0.01 -0.19 0.00 0.77 0.00 0.00 66.41 66.68 2yuv h THR 52 Cb 1.25 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2yuv h THR 52 CO 0.43 0.00 -0.61 0.50 0.37 0.00 0.00 175.52 176.22 2yuv h LYS 53 N 0.02 0.74 -5.05 6.66 3.64 -1.94 -3.43 116.57 117.21 2yuv h LYS 53 Ca 0.79 -0.50 -0.64 0.00 -1.27 0.00 0.00 60.65 59.02 2yuv h LYS 53 Cb 3.06 0.07 -0.22 0.00 -0.41 0.00 0.00 32.23 34.73 2yuv h LYS 53 CO -0.06 1.13 -0.63 0.71 -2.27 0.00 0.00 179.45 178.32 2yuv s TYR 54 N -3.98 3.09 -0.52 1.91 2.02 0.43 -2.20 117.35 118.09 2yuv s TYR 54 Ca -0.09 -0.37 -0.16 0.00 -0.37 0.00 0.00 57.07 56.07 2yuv s TYR 54 Cb 0.10 -2.16 0.10 0.00 -0.40 0.00 0.00 41.96 39.60 2yuv s TYR 54 CO 0.88 -0.25 0.50 0.42 -1.57 0.00 0.00 175.55 175.53 2yuv s ILE 55 N 1.24 5.14 -0.29 2.71 -1.09 -0.61 -3.46 121.20 124.84 2yuv s ILE 55 Ca 0.04 -1.20 -0.19 0.00 -2.23 0.00 0.00 60.65 57.08 2yuv s ILE 55 Cb -0.15 -4.28 -0.02 0.00 -1.58 0.00 0.00 42.46 36.43 2yuv s ILE 55 CO 0.03 -0.80 0.56 -0.36 -1.23 0.00 0.00 174.94 173.13 2yuv s PHE 56 N 1.85 3.24 -0.17 3.97 0.40 -1.26 -2.26 117.98 123.74 2yuv s PHE 56 Ca 0.06 0.57 0.01 0.00 -0.60 0.00 0.00 56.93 56.97 2yuv s PHE 56 Cb -0.26 -2.84 0.02 0.00 0.51 0.00 0.00 43.02 40.44 2yuv s PHE 56 CO 0.05 -0.38 -0.20 -1.21 0.70 0.00 0.00 175.22 174.18 2yuv s GLU 57 N 2.43 2.99 -0.30 0.44 2.02 -0.58 -5.01 118.70 120.68 2yuv s GLU 57 Ca 0.22 -0.83 -0.11 0.00 0.02 0.00 0.00 54.97 54.27 2yuv s GLU 57 Cb -0.15 -2.52 -0.03 0.00 0.10 0.00 0.00 34.13 31.53 2yuv s GLU 57 CO 0.10 -0.15 0.19 -1.58 0.02 0.00 0.00 175.26 173.84 2yuv s HIS 58 N 1.15 3.20 0.04 1.61 5.65 -1.26 -1.40 115.29 124.28 2yuv s HIS 58 Ca 0.01 -0.15 0.05 0.00 0.25 0.00 0.00 55.06 55.22 2yuv s HIS 58 Cb -0.14 -2.39 -0.02 0.00 -1.18 0.00 0.00 32.58 28.85 2yuv s HIS 58 CO -0.10 -0.29 -0.14 0.21 -0.65 0.00 0.00 174.74 173.77 2yuv s LYS 59 N 1.71 0.92 -0.26 2.88 2.20 0.61 -5.04 119.74 122.76 2yuv s LYS 59 Ca 0.06 -0.78 -0.24 0.00 -0.36 0.00 0.00 55.97 54.65 2yuv s LYS 59 Cb -0.16 -0.93 -0.10 0.00 -1.51 0.00 0.00 37.83 35.12 2yuv s LYS 59 CO 0.09 0.23 0.94 0.41 -0.36 0.00 0.00 175.35 176.66 2yuv n GLY 60 N 1.82 0.04 4.30 5.54 0.00 -1.26 0.16 105.19 115.79 2yuv n GLY 60 Ca -0.18 0.55 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 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 -7.32 0.46 -0.05 0.00 0.74 0.41 -3.37 119.66 110.53 2yuv s GLN 62 Ca 0.04 0.61 0.02 0.00 0.05 0.00 0.00 55.36 56.08 2yuv s GLN 62 Cb -0.02 0.19 0.02 0.00 1.10 0.00 0.00 33.01 34.29 2yuv s GLN 62 CO 0.99 -0.07 -0.08 1.03 -0.55 0.00 0.00 175.29 176.62 2yuv s ARG 63 N 0.55 1.18 0.15 1.67 1.81 -0.83 -0.29 118.95 123.20 2yuv s ARG 63 Ca -0.00 -0.25 0.11 0.00 -1.72 0.00 0.00 55.73 53.87 2yuv s ARG 63 Cb -0.05 -1.06 -0.04 0.00 -0.45 0.00 0.00 34.95 33.35 2yuv s ARG 63 CO -0.09 -0.01 -0.25 0.42 -0.68 0.00 0.00 175.30 174.69 2yuv s ILE 64 N 0.71 2.36 -0.11 1.52 1.09 -0.50 -1.07 121.20 125.20 2yuv s ILE 64 Ca -0.12 -1.82 -0.06 0.00 -1.10 0.00 0.00 60.65 57.54 2yuv s ILE 64 Cb -0.14 -2.08 0.04 0.00 -1.06 0.00 0.00 42.46 39.22 2yuv s ILE 64 CO 0.02 0.02 0.26 -0.22 -0.10 0.00 0.00 174.94 174.92 2yuv s LEU 65 N -2.28 0.45 0.10 2.97 1.98 0.24 -1.53 118.68 120.60 2yuv s LEU 65 Ca 0.17 0.56 0.10 0.00 -2.89 0.00 0.00 54.13 52.07 2yuv s LEU 65 Cb -0.09 0.81 -0.04 0.00 0.66 0.00 0.00 46.19 47.53 2yuv s LEU 65 CO 0.08 -0.16 -0.26 -0.36 -1.89 0.00 0.00 176.35 173.76 2yuv s PHE 66 N 1.12 2.33 -0.19 5.38 0.40 -0.96 -0.40 117.98 125.66 2yuv s PHE 66 Ca -0.08 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 2yuv s PHE 66 Cb -0.09 -1.31 0.04 0.00 0.51 0.00 0.00 43.02 42.18 2yuv s PHE 66 CO -0.08 0.27 -0.07 0.42 0.70 0.00 0.00 175.22 176.46 2yuv s ILE 67 N -0.98 1.38 0.50 0.64 1.09 -1.23 -1.58 121.20 121.02 2yuv s ILE 67 Ca 0.13 -0.87 -0.07 0.00 -1.10 0.00 0.00 60.65 58.74 2yuv s ILE 67 Cb -0.10 -1.53 -0.04 0.00 -1.06 0.00 0.00 42.46 39.73 2yuv s ILE 67 CO 0.05 0.10 0.83 0.20 -0.10 0.00 0.00 174.94 176.03 2yuv s ASN 68 N 1.51 6.29 -0.77 3.58 0.01 -0.94 -3.20 114.94 121.42 2yuv s ASN 68 Ca -0.01 1.05 -0.03 0.00 -0.71 0.00 0.00 52.86 53.16 2yuv s ASN 68 Cb -0.16 -2.30 0.00 0.00 0.41 0.00 0.00 41.25 39.20 2yuv s ASN 68 CO -0.08 -0.61 0.66 0.59 -1.51 0.00 0.00 177.10 176.15 2yuv n ASN 69 N -2.23 -3.72 -4.55 -1.22 4.13 -0.84 -4.90 115.26 101.93 2yuv n ASN 69 Ca 0.02 -0.33 -0.33 0.00 1.68 0.00 0.00 54.58 55.61 2yuv n ASN 69 Cb 0.55 -3.18 -0.04 0.00 -1.54 0.00 0.00 39.78 35.57 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 7.46 2.75 0.36 0.00 2.00 -1.26 -0.09 119.66 130.88 2yuv s GLN 71 Ca 0.76 -1.32 0.27 0.00 -2.00 0.00 0.00 55.36 53.07 2yuv s GLN 71 Cb -0.12 -2.65 1.24 0.00 0.80 0.00 0.00 33.01 32.28 2yuv s GLN 71 CO 0.16 -0.24 1.80 0.52 -0.50 0.00 0.00 175.29 177.03 2yuv h MET 72 N 0.75 0.00 0.00 1.67 2.86 -1.91 -1.93 114.93 116.37 2yuv h MET 72 Ca -0.40 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.04 2yuv h MET 72 Cb 1.28 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.90 2yuv h MET 72 CO 0.49 0.00 -1.62 -2.37 1.06 0.00 0.00 176.91 174.46 2yuv n THR 73 N -2.45 1.18 0.07 2.22 5.66 -1.26 -4.18 114.28 115.52 2yuv n THR 73 Ca 0.00 -0.71 -0.17 0.00 -3.05 0.00 0.00 64.05 60.12 2yuv n THR 73 Cb 0.16 -0.69 -0.09 0.00 -1.55 0.00 0.00 70.33 68.17 2yuv n THR 73 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2yuv h ASP 74 N 0.00 0.66 -0.01 1.09 3.32 -1.71 -3.44 116.42 116.33 2yuv h ASP 74 Ca -0.22 -0.57 -0.48 0.00 0.02 0.00 0.00 57.03 55.79 2yuv h ASP 74 Cb 1.68 -0.21 -0.09 0.00 0.22 0.00 0.00 39.33 40.93 2yuv h ASP 74 CO 0.04 1.38 1.80 -0.90 -1.72 0.00 0.00 179.24 179.85 2yuv n ASP 75 N -3.75 0.02 -4.12 6.45 5.75 -0.94 -4.84 116.55 115.12 2yuv n ASP 75 Ca -0.09 0.06 -0.16 0.00 -0.01 0.00 0.00 54.79 54.58 2yuv n ASP 75 Cb 0.90 -0.86 -0.10 0.00 -1.03 0.00 0.00 41.12 40.03 2yuv n ASP 75 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2yuv s SER 76 N 7.57 1.04 -0.45 -1.12 0.01 -1.26 -4.91 113.70 114.59 2yuv s SER 76 Ca 1.35 -1.46 -0.20 0.00 1.31 0.00 0.00 55.95 56.94 2yuv s SER 76 Cb -1.19 0.32 0.03 0.00 0.21 0.00 0.00 66.02 65.39 2yuv s SER 76 CO 0.50 -0.83 0.62 -0.70 0.41 0.00 0.00 173.24 173.24 2yuv s GLU 77 N -3.96 3.24 0.21 12.44 2.12 -1.26 -2.84 118.70 128.64 2yuv s GLU 77 Ca 0.38 -0.47 -0.12 0.00 0.36 0.00 0.00 54.97 55.12 2yuv s GLU 77 Cb 0.06 -3.97 -0.07 0.00 0.26 0.00 0.00 34.13 30.41 2yuv s GLU 77 CO 0.15 -1.02 0.58 0.71 -0.54 0.00 0.00 175.26 175.14 2yuv s TYR 78 N 2.74 3.49 -0.05 5.30 1.51 -0.74 -4.15 117.35 125.44 2yuv s TYR 78 Ca 0.21 0.99 -0.02 0.00 -1.01 0.00 0.00 57.07 57.24 2yuv s TYR 78 Cb -0.15 -2.34 0.03 0.00 -0.11 0.00 0.00 41.96 39.39 2yuv s TYR 78 CO 0.18 0.31 0.11 1.52 -1.11 0.00 0.00 175.55 176.55 2yuv s TYR 79 N -1.71 -0.11 0.18 2.71 1.13 -1.22 -0.13 117.35 118.20 2yuv s TYR 79 Ca 0.45 0.37 0.07 0.00 -1.41 0.00 0.00 57.07 56.54 2yuv s TYR 79 Cb -0.13 -0.09 -0.04 0.00 -1.10 0.00 0.00 41.96 40.61 2yuv s TYR 79 CO 0.20 -0.13 0.06 0.54 -2.51 0.00 0.00 175.55 173.71 2yuv s VAL 80 N 0.92 4.03 0.04 -3.49 0.11 -0.48 -2.39 120.40 119.15 2yuv s VAL 80 Ca -0.07 -1.33 0.07 0.00 -2.93 0.00 0.00 61.98 57.72 2yuv s VAL 80 Cb -0.10 -3.06 -0.02 0.00 -1.53 0.00 0.00 36.38 31.67 2yuv s VAL 80 CO -0.04 -0.14 -0.20 0.42 -3.33 0.00 0.00 175.10 171.80 2yuv s THR 81 N -1.80 1.63 -0.28 5.04 -4.23 -0.91 -1.58 115.64 113.51 2yuv s THR 81 Ca 0.29 -1.19 -0.01 0.00 -1.18 0.00 0.00 61.69 59.61 2yuv s THR 81 Cb -0.09 -1.42 0.17 0.00 1.34 0.00 0.00 72.50 72.49 2yuv s THR 81 CO 0.21 0.19 0.49 0.00 -0.54 0.00 0.00 174.62 174.97 2yuv s ALA 82 N -0.81 -1.70 0.00 3.99 0.00 -0.22 -2.57 121.76 120.45 2yuv s ALA 82 Ca 0.07 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.23 2yuv s ALA 82 Cb -0.09 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.02 2yuv s ALA 82 CO 0.02 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 174.78 2yuv n GLY 83 N 5.39 1.52 0.29 0.00 0.00 -1.26 -2.27 105.19 108.87 2yuv n GLY 83 Ca -0.01 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 10.75 2.72 -4.30 1.61 9.92 -1.26 -5.03 116.55 130.96 2yuv n ASP 84 Ca 0.00 -2.90 -0.16 0.00 -0.53 0.00 0.00 54.79 51.20 2yuv n ASP 84 Cb 0.00 -0.40 -0.10 0.00 -0.64 0.00 0.00 41.12 39.98 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 -2.57 1.30 -0.17 -1.24 0.41 -0.96 -5.03 118.70 110.44 2yuv s GLU 85 Ca 0.31 -1.67 -0.28 0.00 -0.41 0.00 0.00 54.97 52.91 2yuv s GLU 85 Cb 0.26 -0.38 0.10 0.00 -1.78 0.00 0.00 34.13 32.32 2yuv s GLU 85 CO 0.05 -0.18 0.88 -1.59 -0.49 0.00 0.00 175.26 173.92 2yuv s LYS 86 N -3.94 0.74 0.39 1.61 -2.85 -1.26 -1.05 119.74 113.36 2yuv s LYS 86 Ca 0.31 0.40 0.05 0.00 -1.00 0.00 0.00 55.97 55.73 2yuv s LYS 86 Cb 0.07 0.35 -0.06 0.00 -2.06 0.00 0.00 37.83 36.13 2yuv s LYS 86 CO 0.09 -0.18 0.04 0.00 0.10 0.00 0.00 175.35 175.40 2yuv s SER 88 N -3.63 -0.09 0.07 0.00 1.04 -1.26 -1.38 113.70 108.45 2yuv s SER 88 Ca 0.31 -0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.54 2yuv s SER 88 Cb 0.08 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 2yuv s SER 88 CO 0.15 -0.54 0.02 0.28 0.98 0.00 0.00 173.24 174.12 2yuv s THR 89 N -2.19 0.19 -0.16 2.02 -1.32 0.81 -4.76 115.64 110.23 2yuv s THR 89 Ca -0.08 -1.73 -0.02 0.00 -1.21 0.00 0.00 61.69 58.65 2yuv s THR 89 Cb -0.02 -1.57 -0.02 0.00 -1.51 0.00 0.00 72.50 69.37 2yuv s THR 89 CO -0.01 -0.87 -0.09 -1.61 -2.21 0.00 0.00 174.62 169.83 2yuv s GLU 90 N -3.93 3.47 -0.12 7.08 8.01 -1.24 -1.80 118.70 130.17 2yuv s GLU 90 Ca 0.09 -0.63 -0.13 0.00 0.01 0.00 0.00 54.97 54.32 2yuv s GLU 90 Cb 0.07 -2.79 -0.05 0.00 -4.31 0.00 0.00 34.13 27.06 2yuv s GLU 90 CO -0.08 0.14 0.30 -1.17 0.01 0.00 0.00 175.26 174.45 2yuv s LEU 91 N 0.58 4.31 -0.37 1.80 1.98 -1.13 -0.69 118.68 125.16 2yuv s LEU 91 Ca -0.06 0.59 0.01 0.00 -2.89 0.00 0.00 54.13 51.79 2yuv s LEU 91 Cb -0.15 -2.37 0.11 0.00 0.66 0.00 0.00 46.19 44.44 2yuv s LEU 91 CO 0.03 0.19 0.14 -0.36 -1.89 0.00 0.00 176.35 174.46 2yuv s PHE 92 N -0.04 2.29 -0.41 5.38 0.08 -1.01 -4.35 117.98 119.91 2yuv s PHE 92 Ca 0.18 -2.30 -0.15 0.00 0.12 0.00 0.00 56.93 54.78 2yuv s PHE 92 Cb -0.14 -2.08 0.02 0.00 -0.57 0.00 0.00 43.02 40.26 2yuv s PHE 92 CO 0.06 -0.85 0.30 0.54 -0.10 0.00 0.00 175.22 175.16 2yuv s VAL 93 N 0.95 5.24 0.99 -0.44 0.11 -1.26 -2.43 120.40 123.56 2yuv s VAL 93 Ca 0.13 -0.68 -0.14 0.00 -2.93 0.00 0.00 61.98 58.36 2yuv s VAL 93 Cb -0.20 -3.92 0.18 0.00 -1.53 0.00 0.00 36.38 30.90 2yuv s VAL 93 CO -0.12 -0.32 1.15 -0.13 -3.33 0.00 0.00 175.10 172.35 2yuv s ARG 94 N 1.67 0.51 -0.70 1.54 1.81 -0.92 -4.60 118.95 118.27 2yuv s ARG 94 Ca 0.05 0.16 -0.08 0.00 -1.72 0.00 0.00 55.73 54.14 2yuv s ARG 94 Cb -0.19 -1.78 0.18 0.00 -0.45 0.00 0.00 34.95 32.71 2yuv s ARG 94 CO 0.10 -2.60 0.57 -1.54 -0.68 0.00 0.00 175.30 171.15 2yuv s SER 95 N -4.03 5.89 0.00 0.23 1.04 -1.26 -1.63 113.70 113.95 2yuv s SER 95 Ca 0.67 -2.72 0.00 0.00 0.48 0.00 0.00 55.95 54.38 2yuv s SER 95 Cb -0.13 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 63.98 2yuv s SER 95 CO 0.54 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2yuv n GLY 96 N 3.79 2.09 3.77 7.32 0.00 -1.26 -4.97 105.19 115.93 2yuv n GLY 96 Ca 0.09 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.81 4.10 -0.48 1.61 0.04 -1.26 -4.70 135.00 131.50 2yuv s PRO 97 Ca 0.00 1.91 -0.25 0.00 0.04 0.00 0.00 61.00 62.70 2yuv s PRO 97 Cb 0.00 -2.75 0.03 0.00 0.04 0.00 0.00 34.50 31.82 2yuv s PRO 97 CO 0.00 -0.30 0.93 -1.54 0.04 0.00 0.00 177.00 176.13 2yuv s SER 98 N -1.02 6.46 -0.21 6.66 1.04 -1.26 -4.97 113.70 120.40 2yuv s SER 98 Ca 0.56 0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.71 2yuv s SER 98 Cb -0.32 -2.45 0.16 0.00 0.10 0.00 0.00 66.02 63.50 2yuv s SER 98 CO 0.41 -1.10 1.16 -0.55 0.98 0.00 0.00 173.24 174.14 2yuv s SER 99 N 2.40 -0.22 0.00 7.02 0.15 -1.26 -5.28 113.70 116.51 2yuv s SER 99 Ca 0.36 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.24 2yuv s SER 99 Cb -0.11 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 2yuv s SER 99 CO 0.25 -0.21 0.07 0.61 1.20 0.00 0.00 173.24 175.16