#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 -1.41 -4.42 1.61 7.64 -1.26 -4.83 113.62 110.94 2yuv n SER 2 Ca 0.00 -1.21 -0.45 0.00 1.01 0.00 0.00 58.87 58.23 2yuv n SER 2 Cb 0.00 -1.85 -0.02 0.00 -1.01 0.00 0.00 64.21 61.32 2yuv n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yuv s SER 3 N -3.55 6.65 0.00 6.43 0.01 -1.26 -4.59 113.70 117.39 2yuv s SER 3 Ca 0.61 -2.17 0.00 0.00 1.31 0.00 0.00 55.95 55.70 2yuv s SER 3 Cb -0.35 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2yuv s SER 3 CO 1.00 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2yuv n GLY 4 N 5.15 2.19 4.36 3.44 0.00 -1.26 -4.86 105.19 114.21 2yuv n GLY 4 Ca 0.21 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 2yuv n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yuv n SER 5 N 2.96 -0.83 -3.72 1.61 7.64 -1.26 -4.90 113.62 115.13 2yuv n SER 5 Ca 0.00 -1.21 -0.17 0.00 1.01 0.00 0.00 58.87 58.50 2yuv n SER 5 Cb 0.00 -1.53 -0.16 0.00 -1.01 0.00 0.00 64.21 61.50 2yuv n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yuv s SER 6 N -3.57 0.48 0.00 6.43 0.01 -1.26 -5.06 113.70 110.73 2yuv s SER 6 Ca 0.53 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.92 2yuv s SER 6 Cb -0.31 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 65.92 2yuv s SER 6 CO 0.98 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 175.05 2yuv n GLY 7 N 4.71 0.88 3.44 3.44 0.00 -1.26 -5.07 105.19 111.32 2yuv n GLY 7 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.00 -1.87 -0.11 4.61 0.00 -1.26 -5.03 121.76 114.10 2yuv s ALA 8 Ca 0.00 2.02 0.07 0.00 0.00 0.00 0.00 51.96 54.04 2yuv s ALA 8 Cb 0.00 -1.77 -0.11 0.00 0.00 0.00 0.00 23.12 21.24 2yuv s ALA 8 CO 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 175.76 174.76 2yuv n ALA 9 N 5.43 1.74 -2.67 0.00 0.00 -1.26 -4.87 120.51 118.88 2yuv n ALA 9 Ca -0.09 -0.63 -0.38 0.00 0.00 0.00 0.00 53.44 52.34 2yuv n ALA 9 Cb 0.50 0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.25 3.37 -0.23 0.00 0.08 -1.26 -1.92 117.98 115.77 2yuv s PHE 10 Ca -0.09 0.59 0.19 0.00 0.12 0.00 0.00 56.93 57.74 2yuv s PHE 10 Cb 0.03 -2.51 0.06 0.00 -0.57 0.00 0.00 43.02 40.04 2yuv s PHE 10 CO 0.38 -0.01 1.23 0.00 -0.10 0.00 0.00 175.22 176.73 2yuv h ALA 11 N 7.38 0.70 -1.65 5.36 0.00 -1.70 -3.44 119.26 125.91 2yuv h ALA 11 Ca -0.36 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.11 2yuv h ALA 11 Cb 1.16 0.04 -0.27 0.00 0.00 0.00 0.00 17.79 18.72 2yuv h ALA 11 CO 0.71 0.40 -0.45 0.21 0.00 0.00 0.00 179.25 180.12 2yuv s LYS 12 N -3.11 0.41 0.76 0.00 2.20 -1.24 -4.88 119.74 113.89 2yuv s LYS 12 Ca 0.02 0.54 -0.12 0.00 -0.36 0.00 0.00 55.97 56.05 2yuv s LYS 12 Cb 0.08 -0.22 0.05 0.00 -1.51 0.00 0.00 37.83 36.23 2yuv s LYS 12 CO 0.76 -0.74 1.13 0.96 -0.36 0.00 0.00 175.35 177.09 2yuv s ILE 13 N 2.62 2.86 0.52 5.43 -4.36 -1.26 -2.15 121.20 124.85 2yuv s ILE 13 Ca 0.14 0.28 -0.16 0.00 -0.26 0.00 0.00 60.65 60.65 2yuv s ILE 13 Cb -0.14 -3.23 -0.07 0.00 1.25 0.00 0.00 42.46 40.26 2yuv s ILE 13 CO -0.20 -0.36 0.98 -0.76 0.24 0.00 0.00 174.94 174.84 2yuv s LEU 14 N -5.52 3.59 0.71 0.37 1.02 -1.26 -4.95 118.68 112.64 2yuv s LEU 14 Ca 0.60 1.54 -0.16 0.00 0.02 0.00 0.00 54.13 56.13 2yuv s LEU 14 Cb -0.12 -4.49 -0.01 0.00 0.02 0.00 0.00 46.19 41.59 2yuv s LEU 14 CO 0.51 -0.61 0.80 0.47 0.02 0.00 0.00 176.35 177.54 2yuv n ASP 15 N -1.69 -0.15 0.00 2.29 8.00 -1.26 -4.85 116.55 118.89 2yuv n ASP 15 Ca 0.06 0.65 0.07 0.00 0.71 0.00 0.00 54.79 56.28 2yuv n ASP 15 Cb 0.54 -1.33 0.32 0.00 -0.02 0.00 0.00 41.12 40.63 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 -1.39 0.05 -3.65 -0.24 -0.04 -1.26 -4.51 135.00 123.97 2yuv n PRO 16 Ca 0.12 0.23 -0.02 0.00 -0.04 0.00 0.00 63.50 63.79 2yuv n PRO 16 Cb 0.49 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.89 -2.33 0.35 0.55 0.00 -1.26 -4.04 121.76 112.15 2yuv s ALA 17 Ca 0.09 1.92 0.08 0.00 0.00 0.00 0.00 51.96 54.05 2yuv s ALA 17 Cb 0.09 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 2yuv s ALA 17 CO 0.25 -0.24 0.15 0.71 0.00 0.00 0.00 175.76 176.63 2yuv s TYR 18 N 0.66 2.69 -0.12 0.00 1.51 0.48 -4.96 117.35 117.61 2yuv s TYR 18 Ca -0.02 -0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 55.58 2yuv s TYR 18 Cb -0.04 -1.70 0.06 0.00 -0.11 0.00 0.00 41.96 40.17 2yuv s TYR 18 CO -0.12 0.31 0.27 -0.65 -1.11 0.00 0.00 175.55 174.24 2yuv s GLN 19 N -3.86 0.19 0.10 -0.62 -0.21 -1.26 -1.77 119.66 112.23 2yuv s GLN 19 Ca 0.38 0.65 -0.06 0.00 0.02 0.00 0.00 55.36 56.35 2yuv s GLN 19 Cb -0.02 -0.07 -0.01 0.00 1.00 0.00 0.00 33.01 33.91 2yuv s GLN 19 CO 0.23 -0.22 0.15 0.54 -2.12 0.00 0.00 175.29 173.87 2yuv s VAL 20 N 1.80 0.14 0.51 1.09 0.11 -1.03 -5.00 120.40 118.03 2yuv s VAL 20 Ca -0.05 -1.41 -0.12 0.00 -2.93 0.00 0.00 61.98 57.47 2yuv s VAL 20 Cb -0.11 -1.54 -0.06 0.00 -1.53 0.00 0.00 36.38 33.15 2yuv s VAL 20 CO -0.09 -0.64 0.92 1.51 -3.33 0.00 0.00 175.10 173.47 2yuv s ASP 21 N -2.91 6.44 0.67 3.54 1.47 -1.26 -1.17 116.67 123.44 2yuv s ASP 21 Ca 0.09 1.33 -0.17 0.00 1.18 0.00 0.00 52.55 54.99 2yuv s ASP 21 Cb 0.05 -2.42 -0.05 0.00 -0.34 0.00 0.00 42.92 40.17 2yuv s ASP 21 CO -0.08 -0.62 0.58 1.17 0.68 0.00 0.00 175.17 176.91 2yuv n LYS 22 N -1.94 0.42 -3.03 2.11 4.81 -0.89 -1.56 118.16 118.08 2yuv n LYS 22 Ca 0.05 0.18 -0.17 0.00 -0.87 0.00 0.00 58.31 57.49 2yuv n LYS 22 Cb 0.54 -1.84 -0.03 0.00 0.02 0.00 0.00 35.03 33.72 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 1.64 -0.36 0.00 3.14 0.00 0.63 -4.77 105.19 105.47 2yuv n GLY 23 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 1.88 2.88 -0.02 0.00 -0.60 -4.35 105.19 104.30 2yuv n GLY 24 Ca 0.05 -1.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 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 4.69 0.06 0.33 1.61 3.52 -1.26 -1.56 118.95 126.34 2yuv s ARG 25 Ca 0.00 0.47 0.06 0.00 -0.13 0.00 0.00 55.73 56.14 2yuv s ARG 25 Cb 0.00 -0.23 -0.01 0.00 -1.56 0.00 0.00 34.95 33.15 2yuv s ARG 25 CO 0.00 -0.24 0.47 0.14 -0.81 0.00 0.00 175.30 174.86 2yuv s VAL 26 N 1.76 4.20 -0.07 7.11 -7.23 -1.18 -4.91 120.40 120.07 2yuv s VAL 26 Ca -0.03 -0.97 0.02 0.00 -1.81 0.00 0.00 61.98 59.19 2yuv s VAL 26 Cb -0.12 -3.46 0.02 0.00 0.56 0.00 0.00 36.38 33.38 2yuv s VAL 26 CO -0.06 -0.19 -0.11 -0.60 -0.31 0.00 0.00 175.10 173.84 2yuv s ARG 27 N -4.17 1.60 -0.21 4.82 3.52 -1.26 -3.44 118.95 119.80 2yuv s ARG 27 Ca 0.44 -0.36 -0.03 0.00 -0.13 0.00 0.00 55.73 55.65 2yuv s ARG 27 Cb -0.09 -1.39 0.07 0.00 -1.56 0.00 0.00 34.95 31.98 2yuv s ARG 27 CO 0.31 -0.03 0.07 -0.06 -0.81 0.00 0.00 175.30 174.78 2yuv s PHE 28 N 0.86 0.83 0.14 5.12 0.08 0.36 -4.99 117.98 120.38 2yuv s PHE 28 Ca -0.11 -0.84 0.09 0.00 0.12 0.00 0.00 56.93 56.20 2yuv s PHE 28 Cb -0.15 -1.01 -0.04 0.00 -0.57 0.00 0.00 43.02 41.25 2yuv s PHE 28 CO 0.01 -0.65 -0.21 0.54 -0.10 0.00 0.00 175.22 174.81 2yuv s VAL 29 N 1.92 1.94 -0.08 -0.44 0.11 -1.26 0.13 120.40 122.73 2yuv s VAL 29 Ca 0.02 -1.79 -0.12 0.00 -2.93 0.00 0.00 61.98 57.16 2yuv s VAL 29 Cb -0.17 -1.82 0.03 0.00 -1.53 0.00 0.00 36.38 32.89 2yuv s VAL 29 CO -0.14 -0.14 0.30 0.68 -3.33 0.00 0.00 175.10 172.48 2yuv s VAL 30 N -1.54 0.02 0.25 2.04 -7.23 -0.39 -4.49 120.40 109.06 2yuv s VAL 30 Ca 0.13 -0.18 0.04 0.00 -1.81 0.00 0.00 61.98 60.17 2yuv s VAL 30 Cb -0.08 -0.49 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 2yuv s VAL 30 CO 0.06 -0.10 0.38 -0.70 -0.31 0.00 0.00 175.10 174.44 2yuv s GLU 31 N -0.35 3.44 -0.03 4.82 2.12 -0.92 -1.60 118.70 126.19 2yuv s GLU 31 Ca -0.05 -0.71 0.01 0.00 0.36 0.00 0.00 54.97 54.59 2yuv s GLU 31 Cb -0.03 -2.86 0.01 0.00 0.26 0.00 0.00 34.13 31.51 2yuv s GLU 31 CO 0.02 0.39 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.57 2yuv s LEU 32 N -4.02 1.55 0.45 2.70 1.43 -1.15 -2.07 118.68 117.56 2yuv s LEU 32 Ca 0.35 -0.13 0.14 0.00 -1.03 0.00 0.00 54.13 53.46 2yuv s LEU 32 Cb -0.09 -0.43 1.07 0.00 0.03 0.00 0.00 46.19 46.78 2yuv s LEU 32 CO 0.30 -0.01 2.03 0.00 0.23 0.00 0.00 176.35 178.90 2yuv h ALA 33 N 6.80 2.00 -2.93 4.21 0.00 -1.70 -3.43 119.26 124.21 2yuv h ALA 33 Ca -0.36 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 2yuv h ALA 33 Cb 1.16 -0.07 -0.24 0.00 0.00 0.00 0.00 17.79 18.64 2yuv h ALA 33 CO 0.48 -0.09 -0.40 -0.51 0.00 0.00 0.00 179.25 178.73 2yuv s ASP 34 N -6.48 -0.20 0.33 0.00 1.01 -1.26 -5.03 116.67 105.04 2yuv s ASP 34 Ca -0.07 0.31 0.26 0.00 0.71 0.00 0.00 52.55 53.76 2yuv s ASP 34 Cb 0.19 0.43 1.09 0.00 1.01 0.00 0.00 42.92 45.64 2yuv s ASP 34 CO 0.73 -0.21 1.78 1.55 0.21 0.00 0.00 175.17 179.23 2yuv h PRO 35 N 5.13 0.00 -0.36 8.23 0.13 -1.94 -2.96 132.00 140.23 2yuv h PRO 35 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 2yuv h PRO 35 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2yuv h PRO 35 CO 0.37 0.00 0.05 0.87 -0.23 0.00 0.00 178.00 179.05 2yuv h LYS 36 N 0.00 0.54 -7.20 0.86 6.56 -1.98 -3.43 116.57 111.92 2yuv h LYS 36 Ca 0.00 -0.10 -0.52 0.00 -1.06 0.00 0.00 60.65 58.97 2yuv h LYS 36 Cb 0.39 -0.09 0.12 0.00 -0.57 0.00 0.00 32.23 32.09 2yuv h LYS 36 CO 0.00 0.53 0.37 -0.51 -2.06 0.00 0.00 179.45 177.79 2yuv s LEU 37 N -9.14 3.34 0.15 2.94 1.43 -1.12 -5.04 118.68 111.24 2yuv s LEU 37 Ca -0.08 2.11 0.06 0.00 -1.03 0.00 0.00 54.13 55.19 2yuv s LEU 37 Cb 0.16 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 2yuv s LEU 37 CO 0.76 -1.88 0.06 -0.70 0.23 0.00 0.00 176.35 174.82 2yuv s GLU 38 N -4.08 2.66 0.07 1.70 2.12 -1.26 -4.99 118.70 114.93 2yuv s GLU 38 Ca 0.69 -0.94 0.09 0.00 0.36 0.00 0.00 54.97 55.17 2yuv s GLU 38 Cb -0.23 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.60 2yuv s GLU 38 CO 0.43 0.49 -0.23 0.14 -0.54 0.00 0.00 175.26 175.56 2yuv s VAL 39 N -1.65 2.47 -0.15 3.70 -7.23 -1.26 -3.93 120.40 112.35 2yuv s VAL 39 Ca 0.29 -1.43 -0.06 0.00 -1.81 0.00 0.00 61.98 58.96 2yuv s VAL 39 Cb -0.10 -2.04 0.07 0.00 0.56 0.00 0.00 36.38 34.86 2yuv s VAL 39 CO 0.21 0.25 0.33 -0.54 -0.31 0.00 0.00 175.10 175.04 2yuv s LYS 40 N -1.63 0.25 -0.18 4.82 -0.14 -1.12 -4.97 119.74 116.77 2yuv s LYS 40 Ca 0.14 0.80 -0.14 0.00 -1.36 0.00 0.00 55.97 55.42 2yuv s LYS 40 Cb -0.10 0.06 -0.04 0.00 -1.68 0.00 0.00 37.83 36.06 2yuv s LYS 40 CO 0.05 -0.23 0.30 -1.58 -0.76 0.00 0.00 175.35 173.13 2yuv s TRP 41 N 2.10 3.42 0.03 3.18 0.52 -1.26 -2.35 118.94 124.57 2yuv s TRP 41 Ca -0.03 0.54 0.07 0.00 0.02 0.00 0.00 56.10 56.70 2yuv s TRP 41 Cb -0.11 -2.38 -0.02 0.00 -1.15 0.00 0.00 33.47 29.81 2yuv s TRP 41 CO -0.11 0.15 -0.19 0.71 0.02 0.00 0.00 176.95 177.53 2yuv s TYR 42 N 0.77 1.71 -0.22 -1.98 2.02 -1.01 -2.01 117.35 116.63 2yuv s TYR 42 Ca 0.16 -0.36 -0.00 0.00 -0.37 0.00 0.00 57.07 56.49 2yuv s TYR 42 Cb -0.13 -1.03 0.06 0.00 -0.40 0.00 0.00 41.96 40.46 2yuv s TYR 42 CO 0.05 0.07 -0.02 0.21 -1.57 0.00 0.00 175.55 174.28 2yuv s LYS 43 N -1.07 1.31 -1.34 -0.62 2.20 0.78 -2.73 119.74 118.27 2yuv s LYS 43 Ca 0.07 -0.82 -0.04 0.00 -0.36 0.00 0.00 55.97 54.82 2yuv s LYS 43 Cb -0.08 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 2yuv s LYS 43 CO 0.01 -0.62 0.53 0.09 -0.36 0.00 0.00 175.35 175.01 2yuv n ASN 44 N 4.79 -5.51 -0.94 1.43 4.13 -1.15 -2.55 115.26 115.47 2yuv n ASN 44 Ca -0.11 -0.25 -0.05 0.00 1.68 0.00 0.00 54.58 55.85 2yuv n ASN 44 Cb 0.45 -4.34 0.01 0.00 -1.54 0.00 0.00 39.78 34.36 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 -1.43 0.50 3.06 7.41 0.00 -1.26 -5.05 105.19 108.42 2yuv n GLY 45 Ca -0.10 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.94 0.23 0.25 1.61 -0.21 -1.05 -5.14 119.66 110.41 2yuv s GLN 46 Ca 0.08 0.18 -0.30 0.00 0.02 0.00 0.00 55.36 55.34 2yuv s GLN 46 Cb -0.04 0.11 -0.09 0.00 1.00 0.00 0.00 33.01 33.99 2yuv s GLN 46 CO 0.10 -0.03 1.30 -2.00 -2.12 0.00 0.00 175.29 172.54 2yuv s GLU 47 N -0.06 4.39 -0.15 2.91 2.12 -1.26 -0.15 118.70 126.50 2yuv s GLU 47 Ca -0.02 2.10 -0.14 0.00 0.36 0.00 0.00 54.97 57.28 2yuv s GLU 47 Cb -0.02 -3.15 -0.05 0.00 0.26 0.00 0.00 34.13 31.18 2yuv s GLU 47 CO 0.00 -0.20 0.29 0.42 -0.54 0.00 0.00 175.26 175.24 2yuv s ILE 48 N -0.41 5.30 -0.03 -3.70 1.01 -0.85 -4.86 121.20 117.66 2yuv s ILE 48 Ca 0.53 0.55 -0.01 0.00 0.00 0.00 0.00 60.65 61.72 2yuv s ILE 48 Cb -0.38 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 2yuv s ILE 48 CO 0.43 0.41 0.07 -0.13 0.00 0.00 0.00 174.94 175.73 2yuv s ARG 49 N 0.32 3.09 0.03 2.79 0.52 -1.26 -4.88 118.95 119.56 2yuv s ARG 49 Ca 0.17 -0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 54.64 2yuv s ARG 49 Cb -0.13 -2.88 -0.06 0.00 0.52 0.00 0.00 34.95 32.40 2yuv s ARG 49 CO 0.04 0.67 1.43 -1.25 0.02 0.00 0.00 175.30 176.21 2yuv s PRO 50 N -1.51 4.28 0.37 3.54 0.04 -1.26 -4.70 135.00 135.75 2yuv s PRO 50 Ca 0.20 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.17 2yuv s PRO 50 Cb -0.12 -3.53 0.03 0.00 0.04 0.00 0.00 34.50 30.93 2yuv s PRO 50 CO 0.11 -0.57 0.66 0.45 0.04 0.00 0.00 177.00 177.69 2yuv s SER 51 N 1.83 0.39 0.56 6.66 0.15 -1.05 -4.94 113.70 117.30 2yuv s SER 51 Ca 0.65 -1.28 0.18 0.00 0.70 0.00 0.00 55.95 56.20 2yuv s SER 51 Cb -0.33 0.77 1.00 0.00 -1.71 0.00 0.00 66.02 65.75 2yuv s SER 51 CO 0.28 -1.53 1.52 0.00 1.20 0.00 0.00 173.24 174.71 2yuv h THR 52 N 2.04 0.00 0.09 6.45 1.03 -2.01 0.23 112.91 120.75 2yuv h THR 52 Ca -0.30 0.00 -0.35 0.00 -0.01 0.00 0.00 66.41 65.74 2yuv h THR 52 Cb 1.25 0.41 -0.03 0.00 -1.07 0.00 0.00 68.15 68.71 2yuv h THR 52 CO 0.40 0.00 -1.98 1.17 -0.01 0.00 0.00 175.52 175.09 2yuv n LYS 53 N -2.54 0.71 -3.54 0.00 4.81 -1.26 -4.76 118.16 111.58 2yuv n LYS 53 Ca -0.01 0.29 -0.41 0.00 -0.87 0.00 0.00 58.31 57.31 2yuv n LYS 53 Cb 0.50 -1.68 -0.11 0.00 0.02 0.00 0.00 35.03 33.77 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 -2.52 3.23 -0.46 5.64 2.02 0.83 -0.96 117.35 125.11 2yuv s TYR 54 Ca -0.26 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 55.96 2yuv s TYR 54 Cb 0.07 -2.48 0.11 0.00 -0.40 0.00 0.00 41.96 39.26 2yuv s TYR 54 CO 0.71 -0.44 0.34 0.42 -1.57 0.00 0.00 175.55 175.01 2yuv s ILE 55 N 1.69 4.29 -0.03 2.71 1.09 -0.32 -2.53 121.20 128.10 2yuv s ILE 55 Ca 0.05 -1.67 -0.22 0.00 -1.10 0.00 0.00 60.65 57.71 2yuv s ILE 55 Cb -0.18 -3.77 -0.05 0.00 -1.06 0.00 0.00 42.46 37.40 2yuv s ILE 55 CO 0.10 -0.72 0.65 -0.36 -0.10 0.00 0.00 174.94 174.51 2yuv s PHE 56 N 1.40 3.63 -0.13 3.97 0.40 -1.26 -2.38 117.98 123.61 2yuv s PHE 56 Ca 0.05 1.24 -0.00 0.00 -0.60 0.00 0.00 56.93 57.61 2yuv s PHE 56 Cb -0.26 -2.72 0.03 0.00 0.51 0.00 0.00 43.02 40.58 2yuv s PHE 56 CO 0.00 0.22 -0.08 -1.21 0.70 0.00 0.00 175.22 174.84 2yuv s GLU 57 N 0.31 1.64 -0.30 0.44 0.41 -0.98 -5.03 118.70 115.18 2yuv s GLU 57 Ca 0.34 -0.34 -0.14 0.00 -0.41 0.00 0.00 54.97 54.43 2yuv s GLU 57 Cb -0.18 -1.72 -0.03 0.00 -1.78 0.00 0.00 34.13 30.41 2yuv s GLU 57 CO 0.18 -0.28 0.32 -1.01 -0.49 0.00 0.00 175.26 173.98 2yuv s HIS 58 N 1.66 3.23 -0.48 1.61 3.76 -1.26 -2.37 115.29 121.44 2yuv s HIS 58 Ca 0.04 0.16 0.03 0.00 -0.15 0.00 0.00 55.06 55.15 2yuv s HIS 58 Cb -0.13 -2.56 0.15 0.00 1.11 0.00 0.00 32.58 31.15 2yuv s HIS 58 CO -0.09 -0.29 0.30 0.21 -0.85 0.00 0.00 174.74 174.02 2yuv s LYS 59 N 1.97 1.41 7.03 1.40 2.20 -1.02 -5.04 119.74 127.68 2yuv s LYS 59 Ca 0.12 -2.24 0.00 0.00 -0.36 0.00 0.00 55.97 53.48 2yuv s LYS 59 Cb -0.16 -2.34 0.00 0.00 -1.51 0.00 0.00 37.83 33.81 2yuv s LYS 59 CO 0.11 -1.22 0.00 0.41 -0.36 0.00 0.00 175.35 174.29 2yuv n GLY 60 N 3.16 2.99 2.29 5.54 0.00 -1.26 -1.70 105.19 116.21 2yuv n GLY 60 Ca 0.14 0.28 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.64 0.22 -0.20 0.00 0.74 -0.69 -2.95 119.66 113.14 2yuv s GLN 62 Ca 0.62 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.75 2yuv s GLN 62 Cb 0.49 -0.08 0.05 0.00 1.10 0.00 0.00 33.01 34.57 2yuv s GLN 62 CO 0.00 0.01 -0.06 1.03 -0.55 0.00 0.00 175.29 175.73 2yuv s ARG 63 N -0.59 1.56 0.10 1.67 1.81 -0.63 -2.45 118.95 120.43 2yuv s ARG 63 Ca -0.05 -0.75 0.04 0.00 -1.72 0.00 0.00 55.73 53.25 2yuv s ARG 63 Cb -0.04 -2.31 -0.04 0.00 -0.45 0.00 0.00 34.95 32.11 2yuv s ARG 63 CO -0.00 -0.51 0.06 0.42 -0.68 0.00 0.00 175.30 174.59 2yuv s ILE 64 N 1.52 4.34 -0.11 1.52 1.09 -1.00 -1.26 121.20 127.30 2yuv s ILE 64 Ca -0.02 -0.92 -0.05 0.00 -1.10 0.00 0.00 60.65 58.55 2yuv s ILE 64 Cb -0.17 -3.12 0.05 0.00 -1.06 0.00 0.00 42.46 38.16 2yuv s ILE 64 CO -0.07 0.06 0.24 -0.22 -0.10 0.00 0.00 174.94 174.86 2yuv s LEU 65 N -2.54 0.31 -0.03 2.97 1.98 0.35 -2.32 118.68 119.40 2yuv s LEU 65 Ca 0.29 0.53 0.07 0.00 -2.89 0.00 0.00 54.13 52.13 2yuv s LEU 65 Cb -0.11 0.72 -0.02 0.00 0.66 0.00 0.00 46.19 47.43 2yuv s LEU 65 CO 0.21 -0.18 -0.25 -0.36 -1.89 0.00 0.00 176.35 173.88 2yuv s PHE 66 N 1.44 2.38 -0.32 5.38 0.40 -1.00 -0.48 117.98 125.77 2yuv s PHE 66 Ca -0.08 -0.47 0.04 0.00 -0.60 0.00 0.00 56.93 55.82 2yuv s PHE 66 Cb -0.11 -1.53 0.09 0.00 0.51 0.00 0.00 43.02 41.99 2yuv s PHE 66 CO -0.08 -0.05 0.01 0.42 0.70 0.00 0.00 175.22 176.22 2yuv s ILE 67 N -0.54 2.24 0.65 0.64 1.01 -1.22 -1.17 121.20 122.81 2yuv s ILE 67 Ca 0.08 -2.18 -0.11 0.00 0.00 0.00 0.00 60.65 58.43 2yuv s ILE 67 Cb -0.11 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 2yuv s ILE 67 CO -0.00 -0.47 1.05 0.20 0.00 0.00 0.00 174.94 175.71 2yuv s ASN 68 N 0.95 5.75 -0.90 3.58 0.01 -0.13 -3.13 114.94 121.07 2yuv s ASN 68 Ca 0.07 1.56 -0.01 0.00 -0.71 0.00 0.00 52.86 53.77 2yuv s ASN 68 Cb -0.19 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 38.97 2yuv s ASN 68 CO -0.08 -1.19 0.76 -3.20 -1.51 0.00 0.00 177.10 171.88 2yuv n ASN 69 N -2.86 -2.71 -4.55 -1.22 5.15 -0.60 -4.88 115.26 103.59 2yuv n ASN 69 Ca 0.07 -0.49 -0.38 0.00 -0.60 0.00 0.00 54.58 53.18 2yuv n ASN 69 Cb 0.54 -4.07 -0.03 0.00 -0.53 0.00 0.00 39.78 35.68 2yuv n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yuv s GLN 71 N 6.49 3.28 0.20 0.00 2.00 -1.26 0.23 119.66 130.60 2yuv s GLN 71 Ca 0.56 -0.84 -0.22 0.00 -2.00 0.00 0.00 55.36 52.86 2yuv s GLN 71 Cb -0.10 -2.79 0.12 0.00 0.80 0.00 0.00 33.01 31.04 2yuv s GLN 71 CO 0.14 0.43 1.56 0.52 -0.50 0.00 0.00 175.29 177.43 2yuv h MET 72 N 1.32 -0.07 -0.66 1.67 2.86 -1.84 1.18 114.93 119.38 2yuv h MET 72 Ca -0.51 0.01 0.19 0.00 -2.06 0.00 0.00 59.70 57.33 2yuv h MET 72 Cb 1.23 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.88 2yuv h MET 72 CO 0.61 -0.05 0.49 1.79 1.06 0.00 0.00 176.91 180.82 2yuv h THR 73 N -0.08 0.62 -0.33 2.22 1.35 -1.95 -1.22 112.91 113.53 2yuv h THR 73 Ca 0.26 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 66.18 2yuv h THR 73 Cb 0.55 0.65 -0.05 0.00 -1.73 0.00 0.00 68.15 67.57 2yuv h THR 73 CO -0.87 0.00 -0.01 -0.78 -0.25 0.00 0.00 175.52 173.61 2yuv h ASP 74 N 0.00 -0.16 0.00 5.36 3.58 0.11 -3.40 116.42 121.90 2yuv h ASP 74 Ca 0.31 0.08 -0.30 0.00 0.42 0.00 0.00 57.03 57.54 2yuv h ASP 74 Cb 1.30 0.14 -0.08 0.00 1.72 0.00 0.00 39.33 42.41 2yuv h ASP 74 CO -0.00 -0.04 1.42 -0.67 -2.88 0.00 0.00 179.24 177.06 2yuv n ASP 75 N -5.19 -0.63 -4.13 2.28 2.03 -0.46 -4.81 116.55 105.64 2yuv n ASP 75 Ca 0.01 -0.22 -0.16 0.00 0.52 0.00 0.00 54.79 54.94 2yuv n ASP 75 Cb 0.17 -0.49 -0.10 0.00 -0.72 0.00 0.00 41.12 39.99 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 2.29 1.08 -0.06 1.67 0.01 -1.26 -4.95 113.70 112.48 2yuv s SER 76 Ca 0.97 -1.46 -0.22 0.00 1.31 0.00 0.00 55.95 56.55 2yuv s SER 76 Cb -0.72 0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 2yuv s SER 76 CO 0.40 -0.83 0.66 -1.83 0.41 0.00 0.00 173.24 172.05 2yuv s GLU 77 N -3.96 4.41 0.02 12.44 -1.05 -1.26 -3.26 118.70 126.04 2yuv s GLU 77 Ca 0.37 0.82 0.09 0.00 -0.15 0.00 0.00 54.97 56.10 2yuv s GLU 77 Cb 0.06 -3.43 -0.03 0.00 -0.44 0.00 0.00 34.13 30.30 2yuv s GLU 77 CO 0.15 0.13 -0.25 0.71 0.95 0.00 0.00 175.26 176.94 2yuv s TYR 78 N 0.61 2.35 -0.16 4.83 2.02 -1.03 -2.94 117.35 123.03 2yuv s TYR 78 Ca 0.35 -0.41 -0.09 0.00 -0.37 0.00 0.00 57.07 56.56 2yuv s TYR 78 Cb -0.18 -1.44 0.06 0.00 -0.40 0.00 0.00 41.96 40.00 2yuv s TYR 78 CO 0.17 0.08 0.38 1.52 -1.57 0.00 0.00 175.55 176.13 2yuv s TYR 79 N -0.75 -0.54 0.01 2.71 1.13 -1.11 -0.15 117.35 118.66 2yuv s TYR 79 Ca 0.11 1.18 0.03 0.00 -1.41 0.00 0.00 57.07 56.99 2yuv s TYR 79 Cb -0.10 0.22 -0.03 0.00 -1.10 0.00 0.00 41.96 40.94 2yuv s TYR 79 CO 0.01 -0.31 -0.06 0.54 -2.51 0.00 0.00 175.55 173.21 2yuv s VAL 80 N 1.31 3.67 0.03 -3.49 0.11 -1.08 -2.40 120.40 118.55 2yuv s VAL 80 Ca -0.09 -0.81 0.06 0.00 -2.93 0.00 0.00 61.98 58.21 2yuv s VAL 80 Cb -0.08 -2.61 -0.03 0.00 -1.53 0.00 0.00 36.38 32.12 2yuv s VAL 80 CO -0.11 0.36 -0.14 0.42 -3.33 0.00 0.00 175.10 172.30 2yuv s THR 81 N -1.03 3.12 -0.29 5.04 -4.23 -0.99 -2.25 115.64 115.01 2yuv s THR 81 Ca 0.18 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 2yuv s THR 81 Cb -0.11 -2.34 0.18 0.00 1.34 0.00 0.00 72.50 71.57 2yuv s THR 81 CO 0.09 0.34 0.57 0.00 -0.54 0.00 0.00 174.62 175.08 2yuv s ALA 82 N -0.97 -2.12 0.00 3.99 0.00 -0.77 -2.79 121.76 119.10 2yuv s ALA 82 Ca 0.16 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.67 2yuv s ALA 82 Cb -0.11 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.83 2yuv s ALA 82 CO 0.07 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 174.81 2yuv n GLY 83 N 5.42 2.91 1.52 0.00 0.00 -1.26 -2.69 105.19 111.09 2yuv n GLY 83 Ca -0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 8.50 2.87 -4.05 1.61 8.00 -1.26 -4.98 116.55 127.23 2yuv n ASP 84 Ca 0.00 -3.74 -0.10 0.00 0.71 0.00 0.00 54.79 51.66 2yuv n ASP 84 Cb 0.00 -0.70 -0.08 0.00 -0.02 0.00 0.00 41.12 40.31 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 -3.28 1.11 -0.17 -1.24 0.41 -1.10 -4.79 118.70 109.65 2yuv s GLU 85 Ca 0.49 -1.32 -0.29 0.00 -0.41 0.00 0.00 54.97 53.44 2yuv s GLU 85 Cb 0.43 0.33 0.11 0.00 -1.78 0.00 0.00 34.13 33.22 2yuv s GLU 85 CO 0.03 -0.38 0.91 -1.59 -0.49 0.00 0.00 175.26 173.74 2yuv s LYS 86 N -4.02 0.71 0.45 1.61 -2.85 -1.26 -1.85 119.74 112.53 2yuv s LYS 86 Ca 0.22 0.34 0.03 0.00 -1.00 0.00 0.00 55.97 55.56 2yuv s LYS 86 Cb 0.05 0.34 -0.02 0.00 -2.06 0.00 0.00 37.83 36.14 2yuv s LYS 86 CO 0.02 -0.19 0.09 0.00 0.10 0.00 0.00 175.35 175.38 2yuv s SER 88 N -3.71 -0.28 0.28 0.00 1.04 -1.26 -2.65 113.70 107.12 2yuv s SER 88 Ca 0.17 0.00 -0.01 0.00 0.48 0.00 0.00 55.95 56.59 2yuv s SER 88 Cb 0.02 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 2yuv s SER 88 CO 0.11 -0.66 0.32 0.28 0.98 0.00 0.00 173.24 174.26 2yuv s THR 89 N -2.47 0.00 -0.07 2.02 -1.32 0.79 -4.84 115.64 109.76 2yuv s THR 89 Ca -0.05 -1.79 0.01 0.00 -1.21 0.00 0.00 61.69 58.65 2yuv s THR 89 Cb -0.01 -2.49 0.02 0.00 -1.51 0.00 0.00 72.50 68.51 2yuv s THR 89 CO -0.02 0.00 -0.09 -1.61 -2.21 0.00 0.00 174.62 170.69 2yuv s GLU 90 N -3.66 1.41 -0.25 7.08 2.02 -1.26 -2.46 118.70 121.58 2yuv s GLU 90 Ca 0.34 -0.28 -0.13 0.00 0.02 0.00 0.00 54.97 54.93 2yuv s GLU 90 Cb 0.03 -1.29 -0.05 0.00 0.10 0.00 0.00 34.13 32.92 2yuv s GLU 90 CO 0.18 -0.08 0.26 -1.17 0.02 0.00 0.00 175.26 174.46 2yuv s LEU 91 N 1.01 4.09 -0.50 1.80 1.98 -1.20 -0.39 118.68 125.47 2yuv s LEU 91 Ca -0.09 0.20 -0.03 0.00 -2.89 0.00 0.00 54.13 51.33 2yuv s LEU 91 Cb -0.15 -2.26 0.13 0.00 0.66 0.00 0.00 46.19 44.58 2yuv s LEU 91 CO -0.00 -0.04 0.30 -0.36 -1.89 0.00 0.00 176.35 174.36 2yuv s PHE 92 N 1.47 3.51 -0.23 5.38 0.08 -0.73 -4.06 117.98 123.40 2yuv s PHE 92 Ca 0.11 -2.52 -0.17 0.00 0.12 0.00 0.00 56.93 54.47 2yuv s PHE 92 Cb -0.15 -3.22 -0.03 0.00 -0.57 0.00 0.00 43.02 39.05 2yuv s PHE 92 CO 0.08 -0.92 0.47 0.54 -0.10 0.00 0.00 175.22 175.28 2yuv s VAL 93 N 0.66 5.12 0.87 -0.44 0.11 -1.26 -2.46 120.40 123.01 2yuv s VAL 93 Ca 0.12 0.81 -0.11 0.00 -2.93 0.00 0.00 61.98 59.86 2yuv s VAL 93 Cb -0.22 -3.79 0.16 0.00 -1.53 0.00 0.00 36.38 31.00 2yuv s VAL 93 CO -0.04 0.16 1.21 -0.13 -3.33 0.00 0.00 175.10 172.96 2yuv s ARG 94 N 1.89 1.14 -0.32 1.54 0.52 -0.32 -4.64 118.95 118.76 2yuv s ARG 94 Ca 0.20 -0.52 -0.05 0.00 -0.52 0.00 0.00 55.73 54.85 2yuv s ARG 94 Cb -0.15 -2.00 0.04 0.00 0.52 0.00 0.00 34.95 33.36 2yuv s ARG 94 CO 0.09 -2.01 0.06 0.45 0.02 0.00 0.00 175.30 173.91 2yuv s SER 95 N -4.79 5.13 0.26 0.23 0.15 -1.26 -2.10 113.70 111.32 2yuv s SER 95 Ca 0.70 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2yuv s SER 95 Cb -0.05 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 2yuv s SER 95 CO 0.50 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2yuv n GLY 96 N 4.74 -5.14 3.57 9.45 0.00 -1.26 -4.74 105.19 111.81 2yuv n GLY 96 Ca -0.13 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.97 2.87 0.42 1.61 0.04 -1.26 -4.89 135.00 132.82 2yuv s PRO 97 Ca 0.00 0.83 -0.24 0.00 0.04 0.00 0.00 61.00 61.63 2yuv s PRO 97 Cb 0.00 -4.32 -0.11 0.00 0.04 0.00 0.00 34.50 30.12 2yuv s PRO 97 CO 0.00 -2.44 1.01 0.43 0.04 0.00 0.00 177.00 176.04 2yuv n SER 98 N 11.88 1.24 -3.54 6.66 7.64 -1.26 -2.17 113.62 134.06 2yuv n SER 98 Ca 0.21 1.03 -0.23 0.00 1.01 0.00 0.00 58.87 60.89 2yuv n SER 98 Cb 0.50 -1.35 0.08 0.00 -1.01 0.00 0.00 64.21 62.43 2yuv n SER 98 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yuv n SER 99 N 0.51 -5.91 0.00 6.43 7.64 -1.26 -5.27 113.62 115.76 2yuv n SER 99 Ca 0.09 -0.54 0.11 0.00 1.01 0.00 0.00 58.87 59.54 2yuv n SER 99 Cb 0.39 -4.99 0.66 0.00 -1.01 0.00 0.00 64.21 59.26 2yuv n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64