#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 2.34 -4.57 1.61 7.64 -1.26 -4.81 113.62 114.58 2yuv n SER 2 Ca 0.00 1.05 -0.35 0.00 1.01 0.00 0.00 58.87 60.58 2yuv n SER 2 Cb 0.00 -1.13 -0.03 0.00 -1.01 0.00 0.00 64.21 62.03 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 3.71 5.91 0.90 6.43 0.15 -1.26 -4.96 113.70 124.58 2yuv s SER 3 Ca 0.99 -1.56 -0.14 0.00 0.70 0.00 0.00 55.95 55.95 2yuv s SER 3 Cb -1.08 -2.57 0.16 0.00 -1.71 0.00 0.00 66.02 60.81 2yuv s SER 3 CO 0.66 -2.10 1.26 -0.83 1.20 0.00 0.00 173.24 173.43 2yuv s GLY 4 N 5.90 1.72 -0.31 9.45 0.00 -1.26 -5.07 107.32 117.74 2yuv s GLY 4 Ca 0.59 -1.05 -0.01 0.00 0.00 0.00 0.00 44.72 44.25 2yuv s GLY 4 CO 0.02 -0.38 0.11 -0.56 0.00 0.00 0.00 173.10 172.29 2yuv s SER 5 N -4.78 3.88 0.26 1.64 0.01 -1.26 -5.13 113.70 108.32 2yuv s SER 5 Ca 0.70 -1.62 -0.14 0.00 1.31 0.00 0.00 55.95 56.19 2yuv s SER 5 Cb -0.06 -0.75 -0.08 0.00 0.21 0.00 0.00 66.02 65.34 2yuv s SER 5 CO 0.51 -0.41 0.66 -0.44 0.41 0.00 0.00 173.24 173.97 2yuv s SER 6 N 1.65 6.80 0.00 2.44 0.01 -1.26 -4.81 113.70 118.53 2yuv s SER 6 Ca 0.10 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.55 2yuv s SER 6 Cb -0.17 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2yuv s SER 6 CO -0.26 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2yuv n GLY 7 N 0.05 -2.43 3.46 3.44 0.00 -1.26 -5.13 105.19 103.32 2yuv n GLY 7 Ca 0.01 -0.45 0.01 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 -2.66 0.00 4.61 0.00 -1.26 -5.04 121.76 117.41 2yuv s ALA 8 Ca 0.00 2.06 0.00 0.00 0.00 0.00 0.00 51.96 54.02 2yuv s ALA 8 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.13 2yuv s ALA 8 CO 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 175.76 175.01 2yuv n ALA 9 N 4.46 1.75 -2.95 0.00 0.00 -1.26 -4.88 120.51 117.63 2yuv n ALA 9 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 2yuv n ALA 9 Cb 0.54 0.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.99 2yuv n ALA 9 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2yuv s PHE 10 N -1.75 3.27 0.38 0.00 0.08 -1.26 -1.94 117.98 116.76 2yuv s PHE 10 Ca 0.00 -1.07 0.08 0.00 0.12 0.00 0.00 56.93 56.06 2yuv s PHE 10 Cb 0.00 -3.02 0.78 0.00 -0.57 0.00 0.00 43.02 40.21 2yuv s PHE 10 CO 0.00 -0.78 1.95 0.00 -0.10 0.00 0.00 175.22 176.28 2yuv h ALA 11 N 8.63 1.54 -2.98 5.36 0.00 -1.75 -3.42 119.26 126.63 2yuv h ALA 11 Ca -0.27 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 2yuv h ALA 11 Cb 1.10 -0.11 -0.31 0.00 0.00 0.00 0.00 17.79 18.47 2yuv h ALA 11 CO 0.82 0.34 -0.50 0.15 0.00 0.00 0.00 179.25 180.06 2yuv s LYS 12 N -4.98 0.19 0.22 0.00 1.02 -1.25 -4.92 119.74 110.02 2yuv s LYS 12 Ca -0.07 0.59 -0.05 0.00 0.02 0.00 0.00 55.97 56.46 2yuv s LYS 12 Cb 0.16 -0.10 -0.05 0.00 -0.52 0.00 0.00 37.83 37.31 2yuv s LYS 12 CO 0.74 -0.20 0.47 0.96 -0.92 0.00 0.00 175.35 176.40 2yuv s ILE 13 N 1.58 5.09 0.76 2.17 -4.36 -1.26 -3.35 121.20 121.83 2yuv s ILE 13 Ca -0.06 0.02 -0.13 0.00 -0.26 0.00 0.00 60.65 60.21 2yuv s ILE 13 Cb -0.11 -3.68 0.06 0.00 1.25 0.00 0.00 42.46 39.97 2yuv s ILE 13 CO -0.08 -0.15 1.16 -0.76 0.24 0.00 0.00 174.94 175.35 2yuv s LEU 14 N -3.13 3.20 0.69 0.37 1.02 -1.26 -4.95 118.68 114.61 2yuv s LEU 14 Ca 0.42 2.18 -0.17 0.00 0.02 0.00 0.00 54.13 56.59 2yuv s LEU 14 Cb -0.11 -4.57 -0.01 0.00 0.02 0.00 0.00 46.19 41.52 2yuv s LEU 14 CO 0.27 -2.28 0.90 0.47 0.02 0.00 0.00 176.35 175.73 2yuv n ASP 15 N -3.07 0.29 0.00 2.29 8.00 -1.26 -4.86 116.55 117.94 2yuv n ASP 15 Ca 0.12 0.69 0.07 0.00 0.71 0.00 0.00 54.79 56.38 2yuv n ASP 15 Cb 0.51 -1.37 0.32 0.00 -0.02 0.00 0.00 41.12 40.56 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 -1.48 0.05 -3.65 -0.24 -0.04 -1.26 -4.44 135.00 123.94 2yuv n PRO 16 Ca 0.13 0.23 -0.00 0.00 -0.04 0.00 0.00 63.50 63.81 2yuv n PRO 16 Cb 0.49 -1.50 -0.06 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 -2.44 0.37 0.55 0.00 -1.26 -3.76 121.76 112.33 2yuv s ALA 17 Ca 0.09 2.08 0.08 0.00 0.00 0.00 0.00 51.96 54.20 2yuv s ALA 17 Cb 0.09 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 2yuv s ALA 17 CO 0.25 -0.32 0.19 0.71 0.00 0.00 0.00 175.76 176.59 2yuv s TYR 18 N 1.13 2.69 -0.14 0.00 1.51 0.76 -4.95 117.35 118.34 2yuv s TYR 18 Ca -0.08 -0.45 -0.06 0.00 -1.01 0.00 0.00 57.07 55.48 2yuv s TYR 18 Cb -0.03 -1.80 0.07 0.00 -0.11 0.00 0.00 41.96 40.08 2yuv s TYR 18 CO -0.12 0.23 0.31 -0.65 -1.11 0.00 0.00 175.55 174.21 2yuv s GLN 19 N -3.90 0.23 0.09 -0.62 -0.21 -1.26 -1.67 119.66 112.32 2yuv s GLN 19 Ca 0.40 0.77 -0.01 0.00 0.02 0.00 0.00 55.36 56.54 2yuv s GLN 19 Cb -0.01 0.02 -0.04 0.00 1.00 0.00 0.00 33.01 33.98 2yuv s GLN 19 CO 0.23 -0.23 0.02 0.54 -2.12 0.00 0.00 175.29 173.73 2yuv s VAL 20 N 2.06 0.15 0.39 1.09 0.11 -0.98 -5.00 120.40 118.23 2yuv s VAL 20 Ca -0.03 -1.85 -0.18 0.00 -2.93 0.00 0.00 61.98 56.99 2yuv s VAL 20 Cb -0.11 -1.80 -0.10 0.00 -1.53 0.00 0.00 36.38 32.84 2yuv s VAL 20 CO -0.10 -0.70 0.85 -1.81 -3.33 0.00 0.00 175.10 170.01 2yuv s ASP 21 N -2.99 6.83 0.81 3.54 1.01 -1.26 -1.06 116.67 123.56 2yuv s ASP 21 Ca 0.16 1.49 -0.16 0.00 0.71 0.00 0.00 52.55 54.75 2yuv s ASP 21 Cb 0.08 -2.46 -0.06 0.00 1.01 0.00 0.00 42.92 41.49 2yuv s ASP 21 CO -0.04 -0.31 0.12 1.17 0.21 0.00 0.00 175.17 176.32 2yuv n LYS 22 N -0.61 0.05 -2.50 8.23 4.81 -1.18 -1.21 118.16 125.75 2yuv n LYS 22 Ca 0.05 0.05 -0.09 0.00 -0.87 0.00 0.00 58.31 57.45 2yuv n LYS 22 Cb 0.54 -1.55 -0.02 0.00 0.02 0.00 0.00 35.03 34.02 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 2.13 -0.36 0.00 3.14 0.00 0.58 -4.76 105.19 105.92 2yuv n GLY 23 Ca 0.06 0.01 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 -0.53 2.09 2.94 -0.02 0.00 -0.35 -4.33 105.19 104.99 2yuv n GLY 24 Ca 0.02 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 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 4.50 0.11 0.51 1.61 3.52 -1.26 -1.69 118.95 126.24 2yuv s ARG 25 Ca 0.00 0.54 0.02 0.00 -0.13 0.00 0.00 55.73 56.16 2yuv s ARG 25 Cb 0.00 -0.17 0.02 0.00 -1.56 0.00 0.00 34.95 33.24 2yuv s ARG 25 CO 0.00 -0.23 0.72 0.14 -0.81 0.00 0.00 175.30 175.12 2yuv s VAL 26 N 1.79 2.99 -0.06 7.11 -7.23 -1.08 -4.92 120.40 119.00 2yuv s VAL 26 Ca -0.03 -0.69 0.01 0.00 -1.81 0.00 0.00 61.98 59.46 2yuv s VAL 26 Cb -0.12 -3.10 0.02 0.00 0.56 0.00 0.00 36.38 33.74 2yuv s VAL 26 CO -0.07 -0.06 -0.08 -0.60 -0.31 0.00 0.00 175.10 173.97 2yuv s ARG 27 N -4.66 1.30 -0.20 4.82 3.52 -1.26 -3.55 118.95 118.92 2yuv s ARG 27 Ca 0.55 -0.26 -0.03 0.00 -0.13 0.00 0.00 55.73 55.86 2yuv s ARG 27 Cb -0.10 -1.18 0.06 0.00 -1.56 0.00 0.00 34.95 32.17 2yuv s ARG 27 CO 0.37 -0.06 0.05 -0.06 -0.81 0.00 0.00 175.30 174.80 2yuv s PHE 28 N 0.91 0.87 0.00 5.12 0.08 -0.09 -4.99 117.98 119.88 2yuv s PHE 28 Ca -0.11 -0.78 0.07 0.00 0.12 0.00 0.00 56.93 56.23 2yuv s PHE 28 Cb -0.15 -0.98 -0.02 0.00 -0.57 0.00 0.00 43.02 41.30 2yuv s PHE 28 CO 0.01 -0.61 -0.21 0.54 -0.10 0.00 0.00 175.22 174.85 2yuv s VAL 29 N 1.91 1.68 0.01 -0.44 0.11 -1.26 0.98 120.40 123.40 2yuv s VAL 29 Ca 0.00 -1.01 -0.05 0.00 -2.93 0.00 0.00 61.98 57.99 2yuv s VAL 29 Cb -0.17 -1.42 -0.01 0.00 -1.53 0.00 0.00 36.38 33.26 2yuv s VAL 29 CO -0.09 0.39 0.09 0.68 -3.33 0.00 0.00 175.10 172.83 2yuv s VAL 30 N -0.60 0.09 0.10 2.04 -7.23 -0.93 -4.61 120.40 109.27 2yuv s VAL 30 Ca 0.08 -0.79 0.01 0.00 -1.81 0.00 0.00 61.98 59.48 2yuv s VAL 30 Cb -0.08 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 2yuv s VAL 30 CO 0.00 -0.43 0.22 -1.61 -0.31 0.00 0.00 175.10 172.97 2yuv s GLU 31 N -1.50 3.36 -0.19 4.82 8.01 -1.21 -1.61 118.70 130.38 2yuv s GLU 31 Ca -0.14 -0.55 0.01 0.00 0.01 0.00 0.00 54.97 54.30 2yuv s GLU 31 Cb -0.08 -2.96 0.04 0.00 -4.31 0.00 0.00 34.13 26.82 2yuv s GLU 31 CO 0.00 0.57 -0.11 -0.51 0.01 0.00 0.00 175.26 175.22 2yuv s LEU 32 N -2.81 2.19 0.58 1.80 1.43 -0.90 -2.13 118.68 118.85 2yuv s LEU 32 Ca 0.34 -0.83 0.42 0.00 -1.03 0.00 0.00 54.13 53.03 2yuv s LEU 32 Cb -0.12 -1.23 1.43 0.00 0.03 0.00 0.00 46.19 46.30 2yuv s LEU 32 CO 0.27 -0.13 1.46 0.00 0.23 0.00 0.00 176.35 178.19 2yuv n ALA 33 N 4.70 1.56 -3.36 4.21 0.00 -0.82 -4.35 120.51 122.45 2yuv n ALA 33 Ca -0.15 0.54 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 2yuv n ALA 33 Cb 0.47 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 2yuv n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yuv s ASP 34 N -3.70 -0.43 0.44 0.00 1.01 -1.26 -5.04 116.67 107.69 2yuv s ASP 34 Ca -0.04 0.59 0.23 0.00 0.71 0.00 0.00 52.55 54.04 2yuv s ASP 34 Cb 0.22 0.64 0.99 0.00 1.01 0.00 0.00 42.92 45.78 2yuv s ASP 34 CO 0.73 -0.37 1.87 1.55 0.21 0.00 0.00 175.17 179.16 2yuv h PRO 35 N 4.29 0.00 -0.99 8.23 0.13 -1.97 -3.06 132.00 138.63 2yuv h PRO 35 Ca -0.28 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.88 2yuv h PRO 35 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 2yuv h PRO 35 CO 0.32 0.24 0.65 0.87 -0.23 0.00 0.00 178.00 179.85 2yuv h LYS 36 N 0.00 1.24 -7.04 0.86 1.57 -1.96 -3.43 116.57 107.82 2yuv h LYS 36 Ca -0.00 -0.07 -0.55 0.00 -1.87 0.00 0.00 60.65 58.15 2yuv h LYS 36 Cb 0.67 -0.28 0.13 0.00 0.08 0.00 0.00 32.23 32.84 2yuv h LYS 36 CO 0.03 0.82 0.62 -0.51 -0.57 0.00 0.00 179.45 179.85 2yuv s LEU 37 N -10.14 3.90 0.35 2.94 1.43 -1.16 -5.01 118.68 110.98 2yuv s LEU 37 Ca -0.13 2.79 0.02 0.00 -1.03 0.00 0.00 54.13 55.78 2yuv s LEU 37 Cb 0.18 -4.21 -0.02 0.00 0.03 0.00 0.00 46.19 42.17 2yuv s LEU 37 CO 0.81 -1.50 0.54 -0.70 0.23 0.00 0.00 176.35 175.73 2yuv s GLU 38 N -2.83 3.37 -0.01 1.70 2.56 -1.26 -4.97 118.70 117.26 2yuv s GLU 38 Ca 0.70 -0.49 0.04 0.00 0.00 0.00 0.00 54.97 55.22 2yuv s GLU 38 Cb -0.41 -2.69 -0.01 0.00 2.00 0.00 0.00 34.13 33.02 2yuv s GLU 38 CO 0.49 0.11 -0.13 0.14 -0.56 0.00 0.00 175.26 175.31 2yuv s VAL 39 N -2.30 1.04 -0.03 3.70 -7.23 -1.26 -3.99 120.40 110.34 2yuv s VAL 39 Ca 0.41 -0.57 -0.01 0.00 -1.81 0.00 0.00 61.98 60.00 2yuv s VAL 39 Cb -0.10 -0.87 0.03 0.00 0.56 0.00 0.00 36.38 36.00 2yuv s VAL 39 CO 0.35 0.29 0.06 -0.54 -0.31 0.00 0.00 175.10 174.95 2yuv s LYS 40 N -0.32 -0.02 -0.17 4.82 -0.14 -1.01 -4.97 119.74 117.93 2yuv s LYS 40 Ca 0.05 0.27 -0.09 0.00 -1.36 0.00 0.00 55.97 54.84 2yuv s LYS 40 Cb -0.05 -0.28 -0.05 0.00 -1.68 0.00 0.00 37.83 35.77 2yuv s LYS 40 CO -0.00 -0.20 0.13 -1.58 -0.76 0.00 0.00 175.35 172.93 2yuv s TRP 41 N 1.32 3.45 0.10 3.18 0.52 -1.26 -2.08 118.94 124.17 2yuv s TRP 41 Ca -0.06 0.37 0.06 0.00 0.02 0.00 0.00 56.10 56.49 2yuv s TRP 41 Cb -0.13 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 30.08 2yuv s TRP 41 CO -0.04 0.42 -0.15 0.71 0.02 0.00 0.00 176.95 177.92 2yuv s TYR 42 N -0.09 1.35 -0.30 -1.98 1.51 -0.99 -0.57 117.35 116.28 2yuv s TYR 42 Ca 0.10 -0.51 -0.01 0.00 -1.01 0.00 0.00 57.07 55.64 2yuv s TYR 42 Cb -0.11 -0.73 0.10 0.00 -0.11 0.00 0.00 41.96 41.10 2yuv s TYR 42 CO 0.00 0.11 0.10 0.21 -1.11 0.00 0.00 175.55 174.86 2yuv s LYS 43 N -2.25 0.65 -0.89 -0.62 2.20 0.24 -2.57 119.74 116.49 2yuv s LYS 43 Ca 0.04 -0.95 -0.03 0.00 -0.36 0.00 0.00 55.97 54.67 2yuv s LYS 43 Cb -0.07 -1.89 0.00 0.00 -1.51 0.00 0.00 37.83 34.36 2yuv s LYS 43 CO 0.03 -0.96 0.76 -1.71 -0.36 0.00 0.00 175.35 173.11 2yuv n ASN 44 N 4.91 -3.52 -1.60 1.43 5.15 -0.94 -3.04 115.26 117.65 2yuv n ASN 44 Ca -0.03 -0.41 -0.11 0.00 -0.60 0.00 0.00 54.58 53.43 2yuv n ASN 44 Cb 0.42 -3.70 0.02 0.00 -0.53 0.00 0.00 39.78 35.99 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 -1.32 0.06 2.69 8.20 0.00 -1.26 -5.02 105.19 108.52 2yuv n GLY 45 Ca -0.10 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 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 -5.05 -0.07 0.26 1.61 -1.52 -1.17 -5.13 119.66 108.59 2yuv s GLN 46 Ca 0.14 0.39 -0.31 0.00 -1.95 0.00 0.00 55.36 53.63 2yuv s GLN 46 Cb -0.06 -0.49 -0.13 0.00 -0.22 0.00 0.00 33.01 32.12 2yuv s GLN 46 CO 0.17 -0.32 1.50 -1.91 -0.25 0.00 0.00 175.29 174.48 2yuv n GLU 47 N 5.27 2.34 -3.59 2.91 2.13 -1.26 -0.59 120.64 127.83 2yuv n GLU 47 Ca -0.04 0.83 -0.37 0.00 0.66 0.00 0.00 57.16 58.24 2yuv n GLU 47 Cb 0.50 -2.55 -0.07 0.00 0.27 0.00 0.00 31.44 29.59 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 0.05 5.27 -0.02 6.31 1.01 0.26 -4.86 121.20 129.22 2yuv s ILE 48 Ca 0.67 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.89 2yuv s ILE 48 Cb -0.58 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 2yuv s ILE 48 CO 0.48 0.49 0.02 -0.13 0.00 0.00 0.00 174.94 175.80 2yuv s ARG 49 N -0.27 2.90 -0.05 2.79 0.52 -1.26 -4.75 118.95 118.83 2yuv s ARG 49 Ca 0.18 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.55 2yuv s ARG 49 Cb -0.14 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.54 2yuv s ARG 49 CO 0.07 0.64 1.49 -1.25 0.02 0.00 0.00 175.30 176.27 2yuv s PRO 50 N -1.51 4.23 0.29 3.54 0.04 -1.26 -4.62 135.00 135.71 2yuv s PRO 50 Ca 0.20 2.02 -0.09 0.00 0.04 0.00 0.00 61.00 63.17 2yuv s PRO 50 Cb -0.12 -3.77 0.04 0.00 0.04 0.00 0.00 34.50 30.69 2yuv s PRO 50 CO 0.10 -0.72 0.55 0.45 0.04 0.00 0.00 177.00 177.43 2yuv n SER 51 N 6.30 -1.59 0.26 6.66 2.88 -0.94 -4.95 113.62 122.23 2yuv n SER 51 Ca 0.15 -2.27 0.16 0.00 -1.33 0.00 0.00 58.87 55.58 2yuv n SER 51 Cb 0.43 2.70 0.73 0.00 -0.75 0.00 0.00 64.21 67.33 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 1.76 0.10 0.06 2.46 1.03 -2.00 -0.41 112.91 115.91 2yuv h THR 52 Ca -0.25 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 65.92 2yuv h THR 52 Cb 0.94 0.59 -0.02 0.00 -1.07 0.00 0.00 68.15 68.59 2yuv h THR 52 CO 0.32 0.00 -1.26 0.50 -0.01 0.00 0.00 175.52 175.07 2yuv h LYS 53 N 0.00 0.12 -4.85 0.00 3.64 -1.92 -3.44 116.57 110.12 2yuv h LYS 53 Ca 0.06 -0.21 -0.65 0.00 -1.27 0.00 0.00 60.65 58.58 2yuv h LYS 53 Cb 0.93 0.08 -0.18 0.00 -0.41 0.00 0.00 32.23 32.65 2yuv h LYS 53 CO -0.00 1.10 -0.52 0.71 -2.27 0.00 0.00 179.45 178.47 2yuv s TYR 54 N -2.41 3.21 -0.45 1.91 2.02 -0.16 -1.79 117.35 119.67 2yuv s TYR 54 Ca -0.24 -0.03 -0.14 0.00 -0.37 0.00 0.00 57.07 56.29 2yuv s TYR 54 Cb 0.04 -2.39 0.06 0.00 -0.40 0.00 0.00 41.96 39.27 2yuv s TYR 54 CO 0.69 -0.24 0.35 0.42 -1.57 0.00 0.00 175.55 175.20 2yuv s ILE 55 N 1.73 5.01 -0.34 2.71 -1.09 0.04 -2.22 121.20 127.05 2yuv s ILE 55 Ca 0.07 -1.06 -0.18 0.00 -2.23 0.00 0.00 60.65 57.25 2yuv s ILE 55 Cb -0.16 -3.96 -0.01 0.00 -1.58 0.00 0.00 42.46 36.75 2yuv s ILE 55 CO 0.10 -0.51 0.52 -0.36 -1.23 0.00 0.00 174.94 173.47 2yuv s PHE 56 N 1.60 3.19 0.16 3.97 0.40 -1.26 -2.39 117.98 123.64 2yuv s PHE 56 Ca 0.04 0.27 0.09 0.00 -0.60 0.00 0.00 56.93 56.72 2yuv s PHE 56 Cb -0.23 -2.91 -0.04 0.00 0.51 0.00 0.00 43.02 40.35 2yuv s PHE 56 CO 0.06 -0.51 -0.19 -1.21 0.70 0.00 0.00 175.22 174.08 2yuv s GLU 57 N 2.41 1.27 -0.09 0.44 0.41 -0.80 -4.99 118.70 117.36 2yuv s GLU 57 Ca 0.20 -1.39 -0.02 0.00 -0.41 0.00 0.00 54.97 53.35 2yuv s GLU 57 Cb -0.15 -1.38 0.04 0.00 -1.78 0.00 0.00 34.13 30.86 2yuv s GLU 57 CO 0.13 0.29 0.04 -3.38 -0.49 0.00 0.00 175.26 171.84 2yuv s HIS 58 N -1.90 0.47 -0.49 1.61 -3.43 -1.26 -1.05 115.29 109.23 2yuv s HIS 58 Ca 0.15 -0.15 0.03 0.00 -0.80 0.00 0.00 55.06 54.29 2yuv s HIS 58 Cb -0.06 -0.72 0.15 0.00 -1.43 0.00 0.00 32.58 30.52 2yuv s HIS 58 CO 0.07 -0.35 0.31 0.15 -2.00 0.00 0.00 174.74 172.92 2yuv s LYS 59 N 2.04 1.46 -0.11 -0.38 1.02 0.47 -4.96 119.74 119.28 2yuv s LYS 59 Ca 0.04 -2.31 -0.07 0.00 0.02 0.00 0.00 55.97 53.65 2yuv s LYS 59 Cb -0.13 -2.39 0.03 0.00 -0.52 0.00 0.00 37.83 34.81 2yuv s LYS 59 CO -0.05 -1.23 0.13 0.41 -0.92 0.00 0.00 175.35 173.69 2yuv n GLY 60 N 3.07 -2.97 4.50 -3.33 0.00 -1.26 -3.34 105.19 101.86 2yuv n GLY 60 Ca 0.15 0.99 -0.41 0.00 0.00 0.00 0.00 46.02 46.75 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 -7.24 0.26 -0.33 0.00 0.74 -1.21 -2.12 119.66 109.76 2yuv s GLN 62 Ca 0.76 0.22 -0.11 0.00 0.05 0.00 0.00 55.36 56.28 2yuv s GLN 62 Cb -0.44 -0.92 -0.00 0.00 1.10 0.00 0.00 33.01 32.75 2yuv s GLN 62 CO 1.02 -0.72 0.19 1.03 -0.55 0.00 0.00 175.29 176.26 2yuv s ARG 63 N 2.39 3.30 0.13 1.67 1.81 -0.63 -0.40 118.95 127.22 2yuv s ARG 63 Ca 0.09 -0.76 0.02 0.00 -1.72 0.00 0.00 55.73 53.37 2yuv s ARG 63 Cb -0.15 -3.67 -0.04 0.00 -0.45 0.00 0.00 34.95 30.64 2yuv s ARG 63 CO -0.17 -0.47 0.24 0.42 -0.68 0.00 0.00 175.30 174.63 2yuv s ILE 64 N 1.64 5.16 -0.08 1.52 1.09 -0.22 -2.18 121.20 128.12 2yuv s ILE 64 Ca 0.05 -0.71 -0.03 0.00 -1.10 0.00 0.00 60.65 58.86 2yuv s ILE 64 Cb -0.17 -3.62 0.04 0.00 -1.06 0.00 0.00 42.46 37.65 2yuv s ILE 64 CO 0.08 -0.04 0.17 -0.22 -0.10 0.00 0.00 174.94 174.83 2yuv s LEU 65 N -3.05 0.38 -0.06 2.97 1.98 0.28 -1.90 118.68 119.29 2yuv s LEU 65 Ca 0.34 0.36 0.06 0.00 -2.89 0.00 0.00 54.13 52.00 2yuv s LEU 65 Cb -0.11 0.42 -0.01 0.00 0.66 0.00 0.00 46.19 47.15 2yuv s LEU 65 CO 0.27 -0.18 -0.23 -0.36 -1.89 0.00 0.00 176.35 173.96 2yuv s PHE 66 N 1.58 2.30 -0.20 5.38 0.08 -1.01 -0.91 117.98 125.19 2yuv s PHE 66 Ca -0.05 -0.70 -0.00 0.00 0.12 0.00 0.00 56.93 56.29 2yuv s PHE 66 Cb -0.12 -1.52 0.02 0.00 -0.57 0.00 0.00 43.02 40.84 2yuv s PHE 66 CO -0.06 -0.23 -0.14 0.42 -0.10 0.00 0.00 175.22 175.11 2yuv s ILE 67 N -0.07 2.43 0.43 0.64 1.01 -1.23 -0.78 121.20 123.63 2yuv s ILE 67 Ca -0.05 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 2yuv s ILE 67 Cb -0.14 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 2yuv s ILE 67 CO 0.04 0.42 0.69 0.20 0.00 0.00 0.00 174.94 176.28 2yuv s ASN 68 N 1.31 6.17 -1.04 3.58 0.01 -0.74 -2.63 114.94 121.60 2yuv s ASN 68 Ca 0.03 0.64 -0.01 0.00 -0.71 0.00 0.00 52.86 52.81 2yuv s ASN 68 Cb -0.14 -2.03 -0.01 0.00 0.41 0.00 0.00 41.25 39.48 2yuv s ASN 68 CO -0.09 -0.52 0.87 0.59 -1.51 0.00 0.00 177.10 176.44 2yuv n ASN 69 N -2.08 -2.79 -4.56 -1.22 3.02 -0.68 -4.88 115.26 102.08 2yuv n ASN 69 Ca -0.01 -0.56 -0.39 0.00 -0.03 0.00 0.00 54.58 53.59 2yuv n ASN 69 Cb 0.56 -4.61 -0.03 0.00 -0.61 0.00 0.00 39.78 35.09 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 6.88 2.84 0.34 0.00 2.00 -1.26 0.21 119.66 130.67 2yuv s GLN 71 Ca 0.68 -1.12 0.14 0.00 -2.00 0.00 0.00 55.36 53.06 2yuv s GLN 71 Cb -0.13 -2.51 1.10 0.00 0.80 0.00 0.00 33.01 32.27 2yuv s GLN 71 CO 0.22 0.38 1.62 1.98 -0.50 0.00 0.00 175.29 178.99 2yuv h MET 72 N 1.52 0.15 -0.59 1.67 4.05 -1.86 1.05 114.93 120.93 2yuv h MET 72 Ca -0.48 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 58.88 2yuv h MET 72 Cb 1.24 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.98 2yuv h MET 72 CO 0.61 0.10 0.16 1.79 0.23 0.00 0.00 176.91 179.80 2yuv h THR 73 N 0.16 1.23 -0.75 -0.77 1.35 -1.96 -2.78 112.91 109.39 2yuv h THR 73 Ca 0.74 -0.81 0.13 0.00 -0.55 0.00 0.00 66.41 65.91 2yuv h THR 73 Cb 1.76 0.61 -0.09 0.00 -1.73 0.00 0.00 68.15 68.70 2yuv h THR 73 CO -0.71 0.31 0.33 -0.78 -0.25 0.00 0.00 175.52 174.42 2yuv h ASP 74 N 0.86 0.36 -0.11 5.36 3.58 0.81 -3.39 116.42 123.90 2yuv h ASP 74 Ca 0.19 0.09 -0.28 0.00 0.42 0.00 0.00 57.03 57.45 2yuv h ASP 74 Cb 0.28 0.05 -0.09 0.00 1.72 0.00 0.00 39.33 41.29 2yuv h ASP 74 CO -0.01 0.16 1.53 -0.67 -2.88 0.00 0.00 179.24 177.38 2yuv n ASP 75 N -4.95 -0.55 -4.03 2.28 2.03 -1.05 -4.81 116.55 105.48 2yuv n ASP 75 Ca 0.13 -0.74 -0.18 0.00 0.52 0.00 0.00 54.79 54.53 2yuv n ASP 75 Cb 0.37 -0.84 -0.09 0.00 -0.72 0.00 0.00 41.12 39.84 2yuv n ASP 75 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2yuv s SER 76 N 3.24 1.31 -0.51 1.67 0.15 -1.26 -4.94 113.70 113.35 2yuv s SER 76 Ca 1.22 -1.52 -0.23 0.00 0.70 0.00 0.00 55.95 56.12 2yuv s SER 76 Cb -0.69 0.36 0.04 0.00 -1.71 0.00 0.00 66.02 64.02 2yuv s SER 76 CO 0.44 -0.87 0.87 -0.70 1.20 0.00 0.00 173.24 174.18 2yuv s GLU 77 N -3.87 3.35 0.15 5.44 2.12 -1.26 -3.52 118.70 121.11 2yuv s GLU 77 Ca 0.37 -0.24 -0.02 0.00 0.36 0.00 0.00 54.97 55.43 2yuv s GLU 77 Cb 0.05 -4.02 -0.05 0.00 0.26 0.00 0.00 34.13 30.38 2yuv s GLU 77 CO 0.17 -1.34 0.34 0.71 -0.54 0.00 0.00 175.26 174.60 2yuv s TYR 78 N 3.62 3.49 -0.25 5.30 1.51 -1.12 -2.22 117.35 127.68 2yuv s TYR 78 Ca 0.29 0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 56.56 2yuv s TYR 78 Cb -0.13 -1.88 0.07 0.00 -0.11 0.00 0.00 41.96 39.91 2yuv s TYR 78 CO 0.20 0.45 0.63 1.52 -1.11 0.00 0.00 175.55 177.25 2yuv s TYR 79 N -1.71 -0.83 0.05 2.71 1.13 -1.06 -0.65 117.35 116.98 2yuv s TYR 79 Ca 0.38 1.83 0.03 0.00 -1.41 0.00 0.00 57.07 57.91 2yuv s TYR 79 Cb -0.12 0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 41.10 2yuv s TYR 79 CO 0.27 -0.41 -0.01 0.54 -2.51 0.00 0.00 175.55 173.43 2yuv s VAL 80 N 0.96 4.02 -0.05 -3.49 0.11 -0.65 -2.33 120.40 118.98 2yuv s VAL 80 Ca -0.05 -0.82 0.06 0.00 -2.93 0.00 0.00 61.98 58.24 2yuv s VAL 80 Cb -0.05 -2.85 -0.01 0.00 -1.53 0.00 0.00 36.38 31.94 2yuv s VAL 80 CO -0.09 0.25 -0.22 0.42 -3.33 0.00 0.00 175.10 172.13 2yuv s THR 81 N -1.19 1.83 -0.23 5.04 -4.23 -0.88 -2.03 115.64 113.94 2yuv s THR 81 Ca 0.22 -0.95 -0.03 0.00 -1.18 0.00 0.00 61.69 59.75 2yuv s THR 81 Cb -0.12 -1.55 0.12 0.00 1.34 0.00 0.00 72.50 72.30 2yuv s THR 81 CO 0.14 0.51 0.32 0.00 -0.54 0.00 0.00 174.62 175.05 2yuv s ALA 82 N -0.18 -0.78 0.00 3.99 0.00 -0.58 -2.40 121.76 121.81 2yuv s ALA 82 Ca -0.01 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2yuv s ALA 82 Cb -0.12 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.44 2yuv s ALA 82 CO 0.02 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 174.93 2yuv n GLY 83 N 5.35 1.67 0.17 0.00 0.00 -1.26 -2.65 105.19 108.47 2yuv n GLY 83 Ca -0.04 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 10.43 2.42 -4.25 1.61 8.00 -1.26 -5.03 116.55 128.47 2yuv n ASP 84 Ca 0.00 -3.14 -0.14 0.00 0.71 0.00 0.00 54.79 52.22 2yuv n ASP 84 Cb 0.00 -0.45 -0.10 0.00 -0.02 0.00 0.00 41.12 40.55 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 -2.90 1.08 -0.15 -1.24 0.41 -1.08 -4.98 118.70 109.84 2yuv s GLU 85 Ca 0.33 -1.49 -0.29 0.00 -0.41 0.00 0.00 54.97 53.12 2yuv s GLU 85 Cb 0.29 -0.48 0.09 0.00 -1.78 0.00 0.00 34.13 32.24 2yuv s GLU 85 CO 0.03 -0.01 0.78 -1.59 -0.49 0.00 0.00 175.26 173.98 2yuv s LYS 86 N -3.82 0.87 0.14 1.61 -2.85 -1.26 -1.53 119.74 112.90 2yuv s LYS 86 Ca 0.19 0.45 0.05 0.00 -1.00 0.00 0.00 55.97 55.66 2yuv s LYS 86 Cb 0.04 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.18 2yuv s LYS 86 CO 0.02 -0.22 -0.11 0.00 0.10 0.00 0.00 175.35 175.13 2yuv s SER 88 N -2.90 1.47 0.22 0.00 1.04 -1.26 -1.64 113.70 110.63 2yuv s SER 88 Ca 0.13 -0.81 -0.04 0.00 0.48 0.00 0.00 55.95 55.71 2yuv s SER 88 Cb -0.00 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 2yuv s SER 88 CO 0.01 -0.26 0.24 0.28 0.98 0.00 0.00 173.24 174.49 2yuv s THR 89 N -2.43 0.00 -0.13 2.02 -1.32 0.18 -4.85 115.64 109.11 2yuv s THR 89 Ca 0.05 -1.83 0.02 0.00 -1.21 0.00 0.00 61.69 58.72 2yuv s THR 89 Cb -0.03 -2.42 0.01 0.00 -1.51 0.00 0.00 72.50 68.55 2yuv s THR 89 CO 0.00 0.00 -0.19 -1.61 -2.21 0.00 0.00 174.62 170.61 2yuv s GLU 90 N -4.08 2.70 -0.14 7.08 8.01 -1.25 -2.81 118.70 128.22 2yuv s GLU 90 Ca 0.34 -0.74 -0.11 0.00 0.01 0.00 0.00 54.97 54.48 2yuv s GLU 90 Cb 0.05 -2.23 -0.05 0.00 -4.31 0.00 0.00 34.13 27.59 2yuv s GLU 90 CO 0.12 -0.05 0.23 -1.17 0.01 0.00 0.00 175.26 174.39 2yuv s LEU 91 N 0.93 4.31 -0.40 1.80 1.98 -1.23 -0.17 118.68 125.90 2yuv s LEU 91 Ca -0.06 0.49 0.03 0.00 -2.89 0.00 0.00 54.13 51.70 2yuv s LEU 91 Cb -0.15 -2.25 0.11 0.00 0.66 0.00 0.00 46.19 44.56 2yuv s LEU 91 CO -0.03 0.24 0.15 -0.36 -1.89 0.00 0.00 176.35 174.46 2yuv s PHE 92 N -0.20 2.80 -0.36 5.38 0.08 -0.67 -4.34 117.98 120.67 2yuv s PHE 92 Ca 0.15 -2.65 -0.20 0.00 0.12 0.00 0.00 56.93 54.36 2yuv s PHE 92 Cb -0.13 -2.42 0.00 0.00 -0.57 0.00 0.00 43.02 39.91 2yuv s PHE 92 CO 0.04 -0.85 0.59 0.54 -0.10 0.00 0.00 175.22 175.44 2yuv s VAL 93 N 0.65 4.93 1.21 -0.44 0.11 -1.26 -2.31 120.40 123.29 2yuv s VAL 93 Ca 0.14 0.47 -0.14 0.00 -2.93 0.00 0.00 61.98 59.52 2yuv s VAL 93 Cb -0.21 -4.05 0.30 0.00 -1.53 0.00 0.00 36.38 30.89 2yuv s VAL 93 CO -0.08 -0.30 1.01 -0.13 -3.33 0.00 0.00 175.10 172.28 2yuv s ARG 94 N 2.61 -1.26 -0.29 1.54 0.52 -0.22 -4.70 118.95 117.15 2yuv s ARG 94 Ca 0.22 0.68 0.03 0.00 -0.52 0.00 0.00 55.73 56.14 2yuv s ARG 94 Cb -0.15 -1.53 0.08 0.00 0.52 0.00 0.00 34.95 33.88 2yuv s ARG 94 CO 0.14 -3.90 -0.01 -1.54 0.02 0.00 0.00 175.30 170.01 2yuv s SER 95 N -2.66 4.43 0.00 0.23 1.04 -1.26 -3.09 113.70 112.38 2yuv s SER 95 Ca 0.68 -1.71 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2yuv s SER 95 Cb -0.23 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.45 2yuv s SER 95 CO 0.64 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.16 2yuv n GLY 96 N 4.44 4.40 3.77 7.32 0.00 -1.26 -5.01 105.19 118.85 2yuv n GLY 96 Ca -0.05 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.43 4.36 0.20 1.61 0.04 -1.26 -4.16 135.00 132.36 2yuv s PRO 97 Ca 0.00 2.01 -0.08 0.00 0.04 0.00 0.00 61.00 62.98 2yuv s PRO 97 Cb 0.00 -3.01 0.30 0.00 0.04 0.00 0.00 34.50 31.83 2yuv s PRO 97 CO 0.00 -0.11 1.14 0.45 0.04 0.00 0.00 177.00 178.52 2yuv n SER 98 N 0.73 -0.32 -3.64 6.66 2.88 -1.26 -4.36 113.62 114.31 2yuv n SER 98 Ca 0.01 1.26 -0.43 0.00 -1.33 0.00 0.00 58.87 58.38 2yuv n SER 98 Cb 0.44 -0.36 -0.11 0.00 -0.75 0.00 0.00 64.21 63.43 2yuv n SER 98 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yuv n SER 99 N -5.16 0.45 -0.02 -3.46 2.88 -1.26 -5.21 113.62 101.85 2yuv n SER 99 Ca 0.11 0.38 0.16 0.00 -1.33 0.00 0.00 58.87 58.18 2yuv n SER 99 Cb 0.35 -0.76 0.94 0.00 -0.75 0.00 0.00 64.21 63.98 2yuv n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42