#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuv s SER 2 N 0.00 3.20 -1.38 1.61 1.04 -1.26 -3.33 113.70 113.57 2yuv s SER 2 Ca 0.00 2.24 -0.07 0.00 0.48 0.00 0.00 55.95 58.60 2yuv s SER 2 Cb 0.00 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.58 2yuv s SER 2 CO 0.00 -2.92 0.97 -1.20 0.98 0.00 0.00 173.24 171.06 2yuv n SER 3 N -3.89 -3.89 0.00 7.02 7.64 -1.26 -4.89 113.62 114.35 2yuv n SER 3 Ca 0.12 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.30 2yuv n SER 3 Cb 0.52 -4.40 0.00 0.00 -1.01 0.00 0.00 64.21 59.31 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 -1.66 1.17 2.91 0.23 0.00 -1.21 -5.11 105.19 101.51 2yuv n GLY 4 Ca -0.10 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 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 3.76 -0.04 1.61 0.01 -1.26 -4.86 113.70 112.92 2yuv s SER 5 Ca 0.00 -1.17 -0.18 0.00 1.31 0.00 0.00 55.95 55.92 2yuv s SER 5 Cb 0.00 -1.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.07 2yuv s SER 5 CO 0.00 -0.25 0.49 -0.94 0.41 0.00 0.00 173.24 172.95 2yuv s SER 6 N 1.45 6.82 0.00 2.44 1.04 -1.26 -4.91 113.70 119.28 2yuv s SER 6 Ca -0.05 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.36 2yuv s SER 6 Cb -0.19 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2yuv s SER 6 CO -0.07 0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.91 2yuv n GLY 7 N 2.51 2.21 3.53 7.32 0.00 -1.26 -5.14 105.19 114.36 2yuv n GLY 7 Ca -0.09 -0.46 -0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.06 -0.01 4.61 0.00 -1.26 -5.03 121.76 118.01 2yuv s ALA 8 Ca 0.00 2.21 0.01 0.00 0.00 0.00 0.00 51.96 54.18 2yuv s ALA 8 Cb 0.00 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 2yuv s ALA 8 CO 0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 175.76 174.75 2yuv n ALA 9 N 5.44 1.97 -2.61 0.00 0.00 -1.26 -4.95 120.51 119.09 2yuv n ALA 9 Ca -0.10 -0.08 -0.39 0.00 0.00 0.00 0.00 53.44 52.86 2yuv n ALA 9 Cb 0.49 0.29 -0.08 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.03 3.26 0.08 0.00 0.08 -1.26 -1.26 117.98 116.85 2yuv s PHE 10 Ca -0.01 0.55 -0.04 0.00 0.12 0.00 0.00 56.93 57.55 2yuv s PHE 10 Cb 0.00 -2.65 -0.28 0.00 -0.57 0.00 0.00 43.02 39.53 2yuv s PHE 10 CO 0.05 -0.25 1.15 0.00 -0.10 0.00 0.00 175.22 176.08 2yuv h ALA 11 N 8.05 0.11 -2.84 5.36 0.00 -1.35 -3.41 119.26 125.17 2yuv h ALA 11 Ca -0.30 -0.88 -0.60 0.00 0.00 0.00 0.00 54.91 53.12 2yuv h ALA 11 Cb 1.15 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.54 2yuv h ALA 11 CO 0.69 0.98 -0.78 0.21 0.00 0.00 0.00 179.25 180.35 2yuv s LYS 12 N -2.67 1.06 0.92 0.00 2.20 -1.16 -4.95 119.74 115.13 2yuv s LYS 12 Ca -0.04 -1.82 -0.12 0.00 -0.36 0.00 0.00 55.97 53.64 2yuv s LYS 12 Cb 0.07 -2.00 0.14 0.00 -1.51 0.00 0.00 37.83 34.53 2yuv s LYS 12 CO 0.88 -1.19 1.09 0.96 -0.36 0.00 0.00 175.35 176.74 2yuv s ILE 13 N 0.54 2.58 0.22 5.43 -4.36 -1.26 -2.27 121.20 122.07 2yuv s ILE 13 Ca 0.18 0.19 -0.30 0.00 -0.26 0.00 0.00 60.65 60.46 2yuv s ILE 13 Cb -0.23 -2.62 -0.09 0.00 1.25 0.00 0.00 42.46 40.78 2yuv s ILE 13 CO -0.00 -0.25 1.21 -0.76 0.24 0.00 0.00 174.94 175.38 2yuv s LEU 14 N -6.31 4.46 0.78 0.37 1.43 -1.26 -4.94 118.68 113.20 2yuv s LEU 14 Ca 0.64 2.31 -0.16 0.00 -1.03 0.00 0.00 54.13 55.89 2yuv s LEU 14 Cb -0.19 -3.61 -0.14 0.00 0.03 0.00 0.00 46.19 42.28 2yuv s LEU 14 CO 0.57 -0.38 -0.54 0.47 0.23 0.00 0.00 176.35 176.71 2yuv n ASP 15 N 2.16 -4.95 0.12 2.29 8.00 -1.26 -4.79 116.55 118.12 2yuv n ASP 15 Ca 0.03 0.33 0.11 0.00 0.71 0.00 0.00 54.79 55.97 2yuv n ASP 15 Cb 0.44 -0.75 0.48 0.00 -0.02 0.00 0.00 41.12 41.27 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 2.04 0.17 -3.64 -0.24 -0.04 -1.26 -4.47 135.00 127.56 2yuv n PRO 16 Ca 0.01 0.41 -0.05 0.00 -0.04 0.00 0.00 63.50 63.84 2yuv n PRO 16 Cb 0.50 -1.84 -0.07 0.00 -0.04 0.00 0.00 33.50 32.05 2yuv n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yuv s ALA 17 N -3.29 -2.16 0.30 0.55 0.00 -1.26 -4.01 121.76 111.88 2yuv s ALA 17 Ca 0.04 2.01 0.09 0.00 0.00 0.00 0.00 51.96 54.10 2yuv s ALA 17 Cb 0.09 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 2yuv s ALA 17 CO 0.37 -0.28 0.06 0.71 0.00 0.00 0.00 175.76 176.63 2yuv s TYR 18 N 0.74 2.71 -0.18 0.00 1.51 0.13 -4.94 117.35 117.31 2yuv s TYR 18 Ca -0.02 -0.29 -0.06 0.00 -1.01 0.00 0.00 57.07 55.68 2yuv s TYR 18 Cb -0.04 -1.39 0.08 0.00 -0.11 0.00 0.00 41.96 40.50 2yuv s TYR 18 CO -0.11 0.50 0.37 -0.65 -1.11 0.00 0.00 175.55 174.55 2yuv s GLN 19 N -3.75 0.27 0.21 -0.62 -0.21 -1.26 -1.56 119.66 112.75 2yuv s GLN 19 Ca 0.34 0.95 0.01 0.00 0.02 0.00 0.00 55.36 56.67 2yuv s GLN 19 Cb -0.04 0.22 -0.05 0.00 1.00 0.00 0.00 33.01 34.14 2yuv s GLN 19 CO 0.21 -0.26 0.07 0.54 -2.12 0.00 0.00 175.29 173.74 2yuv s VAL 20 N 2.51 0.41 0.20 1.09 0.11 -0.92 -4.99 120.40 118.81 2yuv s VAL 20 Ca -0.01 -1.98 -0.20 0.00 -2.93 0.00 0.00 61.98 56.85 2yuv s VAL 20 Cb -0.12 -2.38 -0.08 0.00 -1.53 0.00 0.00 36.38 32.27 2yuv s VAL 20 CO -0.12 -0.20 0.71 -1.81 -3.33 0.00 0.00 175.10 170.36 2yuv s ASP 21 N -3.21 7.11 0.84 3.54 1.01 -1.26 -0.15 116.67 124.55 2yuv s ASP 21 Ca 0.32 1.43 -0.17 0.00 0.71 0.00 0.00 52.55 54.85 2yuv s ASP 21 Cb 0.07 -2.42 -0.12 0.00 1.01 0.00 0.00 42.92 41.46 2yuv s ASP 21 CO 0.09 0.09 -0.39 1.17 0.21 0.00 0.00 175.17 176.34 2yuv n LYS 22 N 0.97 0.00 -2.28 8.23 0.00 0.31 -0.62 118.16 124.77 2yuv n LYS 22 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 58.31 58.28 2yuv n LYS 22 Cb 0.51 -1.16 0.00 0.00 0.00 0.00 0.00 35.03 34.37 2yuv n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2yuv n GLY 23 N 2.88 -0.44 0.00 3.14 0.00 0.42 -4.79 105.19 106.40 2yuv n GLY 23 Ca 0.03 0.00 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 -0.44 1.99 2.85 -0.02 0.00 0.21 -4.31 105.19 105.47 2yuv n GLY 24 Ca 0.00 -1.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.00 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 4.18 0.04 0.25 1.61 3.52 -1.26 -1.35 118.95 125.95 2yuv s ARG 25 Ca 0.00 0.48 -0.01 0.00 -0.13 0.00 0.00 55.73 56.07 2yuv s ARG 25 Cb 0.00 -0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.09 2yuv s ARG 25 CO 0.00 -0.26 0.46 0.14 -0.81 0.00 0.00 175.30 174.83 2yuv s VAL 26 N 1.91 5.14 -0.18 7.11 -7.23 -1.01 -4.91 120.40 121.22 2yuv s VAL 26 Ca -0.01 -0.29 0.01 0.00 -1.81 0.00 0.00 61.98 59.88 2yuv s VAL 26 Cb -0.12 -3.76 0.03 0.00 0.56 0.00 0.00 36.38 33.09 2yuv s VAL 26 CO -0.06 -0.28 -0.17 -0.60 -0.31 0.00 0.00 175.10 173.68 2yuv s ARG 27 N -3.57 2.72 -0.28 4.82 3.52 -1.26 -2.71 118.95 122.18 2yuv s ARG 27 Ca 0.40 -0.82 0.02 0.00 -0.13 0.00 0.00 55.73 55.20 2yuv s ARG 27 Cb -0.11 -2.50 0.07 0.00 -1.56 0.00 0.00 34.95 30.86 2yuv s ARG 27 CO 0.30 -0.26 -0.06 -0.06 -0.81 0.00 0.00 175.30 174.41 2yuv s PHE 28 N 1.32 3.37 -0.09 5.12 0.08 -0.05 -4.98 117.98 122.76 2yuv s PHE 28 Ca 0.03 -2.40 0.00 0.00 0.12 0.00 0.00 56.93 54.69 2yuv s PHE 28 Cb -0.14 -2.18 -0.03 0.00 -0.57 0.00 0.00 43.02 40.11 2yuv s PHE 28 CO -0.12 -0.89 -0.08 0.08 -0.10 0.00 0.00 175.22 174.12 2yuv s VAL 29 N 1.08 3.58 -0.05 -0.44 1.01 -1.26 -0.02 120.40 124.30 2yuv s VAL 29 Ca -0.04 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2yuv s VAL 29 Cb -0.20 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.73 2yuv s VAL 29 CO -0.05 0.57 -0.02 0.68 0.00 0.00 0.00 175.10 176.28 2yuv s VAL 30 N -0.49 0.46 -0.02 2.92 -7.23 -0.92 -4.44 120.40 110.68 2yuv s VAL 30 Ca 0.07 -0.02 -0.07 0.00 -1.81 0.00 0.00 61.98 60.15 2yuv s VAL 30 Cb -0.12 -0.54 -0.05 0.00 0.56 0.00 0.00 36.38 36.24 2yuv s VAL 30 CO 0.02 0.23 0.25 -0.70 -0.31 0.00 0.00 175.10 174.59 2yuv s GLU 31 N 1.32 3.58 -0.10 4.82 2.56 -0.96 -2.34 118.70 127.58 2yuv s GLU 31 Ca -0.05 -0.04 0.03 0.00 0.00 0.00 0.00 54.97 54.91 2yuv s GLU 31 Cb -0.13 -3.12 -0.01 0.00 2.00 0.00 0.00 34.13 32.87 2yuv s GLU 31 CO -0.02 0.69 -0.21 -0.51 -0.56 0.00 0.00 175.26 174.65 2yuv s LEU 32 N -1.51 2.30 0.50 2.70 1.43 -1.22 -0.96 118.68 121.92 2yuv s LEU 32 Ca 0.24 -0.47 0.33 0.00 -1.03 0.00 0.00 54.13 53.20 2yuv s LEU 32 Cb -0.13 -1.47 1.48 0.00 0.03 0.00 0.00 46.19 46.10 2yuv s LEU 32 CO 0.13 0.18 1.99 0.00 0.23 0.00 0.00 176.35 178.88 2yuv h ALA 33 N 6.55 1.00 -3.41 4.21 0.00 -1.51 -3.42 119.26 122.67 2yuv h ALA 33 Ca -0.24 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.37 2yuv h ALA 33 Cb 1.22 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.66 2yuv h ALA 33 CO 0.50 0.00 -0.70 0.16 0.00 0.00 0.00 179.25 179.20 2yuv s ASP 34 N -5.22 0.27 0.48 0.00 1.47 -1.26 -5.03 116.67 107.38 2yuv s ASP 34 Ca 0.00 0.11 0.27 0.00 1.18 0.00 0.00 52.55 54.11 2yuv s ASP 34 Cb 0.10 -0.02 1.15 0.00 -0.34 0.00 0.00 42.92 43.80 2yuv s ASP 34 CO 0.47 -0.16 1.92 1.55 0.68 0.00 0.00 175.17 179.63 2yuv h PRO 35 N 7.55 0.00 -0.68 2.11 0.13 -1.98 -3.09 132.00 136.04 2yuv h PRO 35 Ca -0.38 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2yuv h PRO 35 Cb 1.12 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 2yuv h PRO 35 CO 0.39 0.15 0.44 0.87 -0.23 0.00 0.00 178.00 179.63 2yuv h LYS 36 N 0.00 0.87 -6.94 0.86 1.79 -1.98 -3.42 116.57 107.75 2yuv h LYS 36 Ca -0.00 -0.05 -0.52 0.00 -2.18 0.00 0.00 60.65 57.89 2yuv h LYS 36 Cb 0.61 -0.20 0.08 0.00 -1.58 0.00 0.00 32.23 31.14 2yuv h LYS 36 CO 0.02 0.58 0.59 -0.51 -1.08 0.00 0.00 179.45 179.05 2yuv s LEU 37 N -10.15 4.22 0.52 2.94 1.43 -1.17 -5.03 118.68 111.44 2yuv s LEU 37 Ca -0.13 2.60 0.03 0.00 -1.03 0.00 0.00 54.13 55.60 2yuv s LEU 37 Cb 0.14 -3.91 0.03 0.00 0.03 0.00 0.00 46.19 42.49 2yuv s LEU 37 CO 0.77 -0.80 0.73 -0.70 0.23 0.00 0.00 176.35 176.57 2yuv s GLU 38 N -2.22 2.59 0.12 1.70 2.56 -1.26 -4.96 118.70 117.23 2yuv s GLU 38 Ca 0.56 -0.93 0.08 0.00 0.00 0.00 0.00 54.97 54.69 2yuv s GLU 38 Cb -0.37 -2.56 -0.04 0.00 2.00 0.00 0.00 34.13 33.17 2yuv s GLU 38 CO 0.47 -0.62 -0.20 0.14 -0.56 0.00 0.00 175.26 174.50 2yuv s VAL 39 N -2.66 1.72 -0.14 3.70 -7.23 -1.26 -4.07 120.40 110.46 2yuv s VAL 39 Ca 0.57 -1.65 -0.06 0.00 -1.81 0.00 0.00 61.98 59.03 2yuv s VAL 39 Cb -0.10 -1.63 0.06 0.00 0.56 0.00 0.00 36.38 35.27 2yuv s VAL 39 CO 0.37 -0.15 0.30 -0.54 -0.31 0.00 0.00 175.10 174.77 2yuv s LYS 40 N -2.19 0.22 -0.12 4.82 -0.14 -0.98 -4.97 119.74 116.38 2yuv s LYS 40 Ca 0.09 0.73 -0.12 0.00 -1.36 0.00 0.00 55.97 55.31 2yuv s LYS 40 Cb -0.09 -0.01 -0.05 0.00 -1.68 0.00 0.00 37.83 36.01 2yuv s LYS 40 CO 0.05 -0.23 0.25 -1.58 -0.76 0.00 0.00 175.35 173.08 2yuv s TRP 41 N 1.98 3.55 0.09 3.18 0.52 -1.26 -2.08 118.94 124.92 2yuv s TRP 41 Ca -0.04 0.63 0.03 0.00 0.02 0.00 0.00 56.10 56.75 2yuv s TRP 41 Cb -0.11 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.98 2yuv s TRP 41 CO -0.10 0.48 -0.09 0.71 0.02 0.00 0.00 176.95 177.97 2yuv s TYR 42 N -0.32 1.01 -0.32 -1.98 1.51 -1.06 -1.75 117.35 114.44 2yuv s TYR 42 Ca 0.17 -0.68 -0.01 0.00 -1.01 0.00 0.00 57.07 55.54 2yuv s TYR 42 Cb -0.13 -0.56 0.10 0.00 -0.11 0.00 0.00 41.96 41.26 2yuv s TYR 42 CO 0.05 -0.02 0.11 0.21 -1.11 0.00 0.00 175.55 174.79 2yuv s LYS 43 N -2.83 0.71 -1.18 -0.62 2.20 0.56 -3.04 119.74 115.54 2yuv s LYS 43 Ca 0.05 -1.11 -0.05 0.00 -0.36 0.00 0.00 55.97 54.50 2yuv s LYS 43 Cb -0.02 -1.93 0.01 0.00 -1.51 0.00 0.00 37.83 34.37 2yuv s LYS 43 CO -0.01 -1.01 1.02 0.09 -0.36 0.00 0.00 175.35 175.08 2yuv n ASN 44 N 4.76 -4.70 -0.70 1.43 4.13 -1.20 -2.61 115.26 116.38 2yuv n ASN 44 Ca -0.01 -0.51 -0.05 0.00 1.68 0.00 0.00 54.58 55.69 2yuv n ASN 44 Cb 0.41 -4.61 0.00 0.00 -1.54 0.00 0.00 39.78 34.04 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 -1.63 0.25 2.74 7.41 0.00 -1.26 -5.04 105.19 107.66 2yuv n GLY 45 Ca -0.08 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.46 0.35 0.29 1.61 -0.21 -1.07 -5.12 119.66 111.04 2yuv s GLN 46 Ca 0.03 0.20 -0.30 0.00 0.02 0.00 0.00 55.36 55.31 2yuv s GLN 46 Cb -0.01 -0.78 -0.12 0.00 1.00 0.00 0.00 33.01 33.09 2yuv s GLN 46 CO 0.03 -0.30 1.49 -1.91 -2.12 0.00 0.00 175.29 172.48 2yuv n GLU 47 N 5.15 2.40 -3.69 2.91 2.13 -1.26 -0.32 120.64 127.96 2yuv n GLU 47 Ca -0.07 0.85 -0.37 0.00 0.66 0.00 0.00 57.16 58.24 2yuv n GLU 47 Cb 0.50 -2.57 -0.07 0.00 0.27 0.00 0.00 31.44 29.58 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 -0.23 5.34 0.05 6.31 1.01 -0.72 -4.85 121.20 128.12 2yuv s ILE 48 Ca 0.64 0.42 0.05 0.00 0.00 0.00 0.00 60.65 61.75 2yuv s ILE 48 Cb -0.56 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 2yuv s ILE 48 CO 0.52 0.52 -0.05 0.00 0.00 0.00 0.00 174.94 175.92 2yuv s ARG 49 N -0.40 2.45 -0.12 2.79 1.70 -1.26 -4.83 118.95 119.29 2yuv s ARG 49 Ca 0.16 -0.83 -0.29 0.00 -0.47 0.00 0.00 55.73 54.30 2yuv s ARG 49 Cb -0.13 -2.47 -0.04 0.00 -0.57 0.00 0.00 34.95 31.74 2yuv s ARG 49 CO 0.05 0.56 1.54 -1.25 -1.08 0.00 0.00 175.30 175.12 2yuv s PRO 50 N -1.88 4.12 0.19 3.89 0.04 -1.26 -4.67 135.00 135.43 2yuv s PRO 50 Ca 0.21 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 63.18 2yuv s PRO 50 Cb -0.11 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.50 2yuv s PRO 50 CO 0.12 -0.89 0.26 -1.13 0.04 0.00 0.00 177.00 175.40 2yuv n SER 51 N 7.24 -0.72 0.32 6.66 3.41 -0.93 -4.95 113.62 124.65 2yuv n SER 51 Ca 0.17 -2.02 0.19 0.00 -0.26 0.00 0.00 58.87 56.95 2yuv n SER 51 Cb 0.44 1.34 1.00 0.00 -0.26 0.00 0.00 64.21 66.73 2yuv n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yuv h THR 52 N 1.54 0.07 0.12 6.66 1.03 -2.00 -1.33 112.91 119.00 2yuv h THR 52 Ca -0.14 0.00 -0.37 0.00 -0.01 0.00 0.00 66.41 65.89 2yuv h THR 52 Cb 0.64 0.84 -0.02 0.00 -1.07 0.00 0.00 68.15 68.53 2yuv h THR 52 CO 0.20 0.00 -2.04 1.17 -0.01 0.00 0.00 175.52 174.84 2yuv n LYS 53 N -3.11 0.75 -3.67 0.00 4.81 -1.26 -4.84 118.16 110.84 2yuv n LYS 53 Ca -0.02 0.25 -0.37 0.00 -0.87 0.00 0.00 58.31 57.30 2yuv n LYS 53 Cb 0.24 -1.69 -0.11 0.00 0.02 0.00 0.00 35.03 33.48 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 -2.56 3.17 -0.31 5.64 2.02 -0.50 -2.50 117.35 122.31 2yuv s TYR 54 Ca -0.23 -0.09 -0.05 0.00 -0.37 0.00 0.00 57.07 56.32 2yuv s TYR 54 Cb 0.07 -2.31 0.03 0.00 -0.40 0.00 0.00 41.96 39.35 2yuv s TYR 54 CO 0.76 -0.22 0.07 0.42 -1.57 0.00 0.00 175.55 175.00 2yuv s ILE 55 N 1.63 3.60 -0.36 2.71 -1.09 -0.87 -2.20 121.20 124.62 2yuv s ILE 55 Ca 0.07 -1.07 -0.17 0.00 -2.23 0.00 0.00 60.65 57.24 2yuv s ILE 55 Cb -0.15 -2.98 -0.00 0.00 -1.58 0.00 0.00 42.46 37.74 2yuv s ILE 55 CO 0.07 -0.07 0.48 -0.36 -1.23 0.00 0.00 174.94 173.83 2yuv s PHE 56 N 1.39 3.18 -0.08 3.97 0.40 -1.26 -2.57 117.98 123.01 2yuv s PHE 56 Ca -0.01 0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.43 2yuv s PHE 56 Cb -0.19 -2.88 0.00 0.00 0.51 0.00 0.00 43.02 40.46 2yuv s PHE 56 CO 0.01 -0.54 -0.20 -1.21 0.70 0.00 0.00 175.22 173.98 2yuv s GLU 57 N 2.30 2.52 -0.20 0.44 2.02 -0.84 -4.99 118.70 119.96 2yuv s GLU 57 Ca 0.17 -0.74 -0.03 0.00 0.02 0.00 0.00 54.97 54.39 2yuv s GLU 57 Cb -0.16 -1.98 -0.01 0.00 0.10 0.00 0.00 34.13 32.08 2yuv s GLU 57 CO 0.13 0.17 -0.06 -1.58 0.02 0.00 0.00 175.26 173.95 2yuv s HIS 58 N 0.34 2.94 -0.41 1.61 5.65 -1.26 -0.85 115.29 123.30 2yuv s HIS 58 Ca -0.15 -0.82 0.02 0.00 0.25 0.00 0.00 55.06 54.36 2yuv s HIS 58 Cb -0.16 -2.05 0.14 0.00 -1.18 0.00 0.00 32.58 29.33 2yuv s HIS 58 CO 0.06 -0.44 0.26 0.15 -0.65 0.00 0.00 174.74 174.12 2yuv s LYS 59 N 1.17 0.99 -0.09 2.88 3.01 -0.24 -4.97 119.74 122.49 2yuv s LYS 59 Ca 0.02 -1.82 -0.03 0.00 -1.01 0.00 0.00 55.97 53.12 2yuv s LYS 59 Cb -0.14 -1.84 0.01 0.00 -1.01 0.00 0.00 37.83 34.85 2yuv s LYS 59 CO -0.01 -1.22 0.07 0.41 0.51 0.00 0.00 175.35 175.10 2yuv n GLY 60 N 3.55 -1.90 4.34 -3.33 0.00 -1.26 -3.22 105.19 103.37 2yuv n GLY 60 Ca 0.14 0.53 -0.33 0.00 0.00 0.00 0.00 46.02 46.36 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 -7.29 0.39 -0.37 0.00 0.74 -1.20 -3.37 119.66 108.56 2yuv s GLN 62 Ca 0.21 0.38 -0.14 0.00 0.05 0.00 0.00 55.36 55.86 2yuv s GLN 62 Cb -0.12 -0.33 0.00 0.00 1.10 0.00 0.00 33.01 33.66 2yuv s GLN 62 CO 1.00 -0.82 0.28 1.03 -0.55 0.00 0.00 175.29 176.22 2yuv s ARG 63 N 2.57 3.25 -0.02 1.67 1.81 -0.99 -1.08 118.95 126.16 2yuv s ARG 63 Ca 0.12 -0.80 -0.01 0.00 -1.72 0.00 0.00 55.73 53.31 2yuv s ARG 63 Cb -0.14 -3.89 -0.04 0.00 -0.45 0.00 0.00 34.95 30.43 2yuv s ARG 63 CO -0.23 -0.60 0.10 0.42 -0.68 0.00 0.00 175.30 174.31 2yuv s ILE 64 N 1.73 4.87 -0.06 1.52 1.09 -0.03 -2.16 121.20 128.16 2yuv s ILE 64 Ca 0.06 -0.31 0.01 0.00 -1.10 0.00 0.00 60.65 59.31 2yuv s ILE 64 Cb -0.18 -3.21 0.02 0.00 -1.06 0.00 0.00 42.46 38.03 2yuv s ILE 64 CO 0.10 0.39 -0.07 -0.22 -0.10 0.00 0.00 174.94 175.04 2yuv s LEU 65 N -1.65 1.37 -0.11 2.97 1.98 0.98 -1.98 118.68 122.24 2yuv s LEU 65 Ca 0.22 -0.20 0.01 0.00 -2.89 0.00 0.00 54.13 51.27 2yuv s LEU 65 Cb -0.12 -0.62 -0.02 0.00 0.66 0.00 0.00 46.19 46.10 2yuv s LEU 65 CO 0.13 -0.04 -0.15 -0.36 -1.89 0.00 0.00 176.35 174.04 2yuv s PHE 66 N 0.98 2.76 -0.30 5.38 0.08 -1.06 -0.87 117.98 124.95 2yuv s PHE 66 Ca -0.10 -0.61 0.03 0.00 0.12 0.00 0.00 56.93 56.38 2yuv s PHE 66 Cb -0.14 -1.79 0.08 0.00 -0.57 0.00 0.00 43.02 40.59 2yuv s PHE 66 CO 0.00 -0.17 -0.03 0.42 -0.10 0.00 0.00 175.22 175.34 2yuv s ILE 67 N 0.17 2.26 0.67 0.64 1.01 -1.10 -2.06 121.20 122.79 2yuv s ILE 67 Ca -0.08 -1.95 -0.07 0.00 0.00 0.00 0.00 60.65 58.55 2yuv s ILE 67 Cb -0.15 -2.49 0.04 0.00 0.01 0.00 0.00 42.46 39.87 2yuv s ILE 67 CO 0.05 -0.29 0.99 0.20 0.00 0.00 0.00 174.94 175.89 2yuv s ASN 68 N 1.03 5.08 -1.19 3.58 0.01 -1.04 -2.40 114.94 120.00 2yuv s ASN 68 Ca 0.00 0.58 -0.07 0.00 -0.71 0.00 0.00 52.86 52.66 2yuv s ASN 68 Cb -0.20 -1.34 0.01 0.00 0.41 0.00 0.00 41.25 40.13 2yuv s ASN 68 CO -0.06 -1.43 1.04 0.59 -1.51 0.00 0.00 177.10 175.73 2yuv n ASN 69 N -2.83 -5.54 -4.55 -1.22 3.02 -0.45 -4.84 115.26 98.84 2yuv n ASN 69 Ca 0.07 -0.49 -0.31 0.00 -0.03 0.00 0.00 54.58 53.82 2yuv n ASN 69 Cb 0.59 -4.54 -0.04 0.00 -0.61 0.00 0.00 39.78 35.18 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 8.44 3.07 0.58 0.00 2.00 -1.26 0.16 119.66 132.64 2yuv s GLN 71 Ca 0.98 -0.81 0.33 0.00 -2.00 0.00 0.00 55.36 53.86 2yuv s GLN 71 Cb -0.19 -2.73 1.40 0.00 0.80 0.00 0.00 33.01 32.29 2yuv s GLN 71 CO 0.23 0.48 1.70 0.52 -0.50 0.00 0.00 175.29 177.73 2yuv h MET 72 N 2.17 0.00 0.00 1.67 2.86 -1.91 1.18 114.93 120.90 2yuv h MET 72 Ca -0.48 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 56.95 2yuv h MET 72 Cb 1.20 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.83 2yuv h MET 72 CO 0.64 0.00 -1.01 1.79 1.06 0.00 0.00 176.91 179.39 2yuv h THR 73 N 0.00 1.58 -0.80 2.22 1.35 -1.97 -3.29 112.91 112.00 2yuv h THR 73 Ca 0.46 -3.27 -0.04 0.00 -0.55 0.00 0.00 66.41 63.01 2yuv h THR 73 Cb 2.18 2.78 -0.04 0.00 -1.73 0.00 0.00 68.15 71.34 2yuv h THR 73 CO -0.00 0.90 0.35 0.44 -0.25 0.00 0.00 175.52 176.95 2yuv h ASP 74 N 0.00 1.08 -0.20 5.36 5.19 0.11 -3.41 116.42 124.55 2yuv h ASP 74 Ca -0.03 -0.16 -0.37 0.00 -0.62 0.00 0.00 57.03 55.85 2yuv h ASP 74 Cb 1.75 -0.28 -0.08 0.00 0.18 0.00 0.00 39.33 40.90 2yuv h ASP 74 CO 0.12 0.94 1.65 -0.67 -3.12 0.00 0.00 179.24 178.16 2yuv n ASP 75 N -4.31 -0.08 -4.19 6.45 2.03 -1.08 -4.84 116.55 110.53 2yuv n ASP 75 Ca 0.07 -0.41 -0.11 0.00 0.52 0.00 0.00 54.79 54.86 2yuv n ASP 75 Cb 0.17 -0.91 -0.10 0.00 -0.72 0.00 0.00 41.12 39.56 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 5.70 0.97 -0.49 1.67 0.01 -1.26 -4.95 113.70 115.35 2yuv s SER 76 Ca 1.25 -1.11 -0.29 0.00 1.31 0.00 0.00 55.95 57.11 2yuv s SER 76 Cb -0.84 0.15 0.03 0.00 0.21 0.00 0.00 66.02 65.57 2yuv s SER 76 CO 0.45 -0.57 1.19 -0.70 0.41 0.00 0.00 173.24 174.03 2yuv s GLU 77 N -3.91 3.65 0.05 12.44 2.12 -1.26 -3.99 118.70 127.79 2yuv s GLU 77 Ca 0.19 0.54 -0.09 0.00 0.36 0.00 0.00 54.97 55.97 2yuv s GLU 77 Cb 0.06 -3.95 -0.05 0.00 0.26 0.00 0.00 34.13 30.45 2yuv s GLU 77 CO -0.00 -1.48 0.36 0.71 -0.54 0.00 0.00 175.26 174.30 2yuv s TYR 78 N 4.73 3.59 -0.10 5.30 1.51 -1.11 -3.24 117.35 128.04 2yuv s TYR 78 Ca 0.49 0.73 -0.06 0.00 -1.01 0.00 0.00 57.07 57.22 2yuv s TYR 78 Cb -0.08 -2.11 0.04 0.00 -0.11 0.00 0.00 41.96 39.70 2yuv s TYR 78 CO 0.31 0.56 0.23 1.52 -1.11 0.00 0.00 175.55 177.06 2yuv s TYR 79 N -1.34 -0.29 -0.08 2.71 -0.85 -1.17 -0.07 117.35 116.26 2yuv s TYR 79 Ca 0.30 0.70 0.00 0.00 -0.52 0.00 0.00 57.07 57.56 2yuv s TYR 79 Cb -0.14 0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.22 2yuv s TYR 79 CO 0.17 -0.19 -0.07 0.54 -1.52 0.00 0.00 175.55 174.48 2yuv s VAL 80 N 0.86 3.72 -0.08 -3.49 0.11 -0.25 -2.55 120.40 118.72 2yuv s VAL 80 Ca -0.06 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 58.54 2yuv s VAL 80 Cb -0.07 -2.53 -0.02 0.00 -1.53 0.00 0.00 36.38 32.23 2yuv s VAL 80 CO -0.05 0.59 -0.14 0.42 -3.33 0.00 0.00 175.10 172.59 2yuv s THR 81 N -0.69 3.05 -0.22 5.04 -4.23 -0.88 -2.04 115.64 115.66 2yuv s THR 81 Ca 0.10 -0.70 -0.03 0.00 -1.18 0.00 0.00 61.69 59.88 2yuv s THR 81 Cb -0.11 -2.23 0.10 0.00 1.34 0.00 0.00 72.50 71.60 2yuv s THR 81 CO 0.02 0.56 0.24 0.00 -0.54 0.00 0.00 174.62 174.90 2yuv s ALA 82 N -0.27 -0.34 0.00 3.99 0.00 0.02 -2.32 121.76 122.84 2yuv s ALA 82 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2yuv s ALA 82 Cb -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.55 2yuv s ALA 82 CO 0.03 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.88 2yuv n GLY 83 N 5.32 1.54 0.17 0.00 0.00 -1.26 -2.32 105.19 108.64 2yuv n GLY 83 Ca -0.05 -0.02 0.02 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 10.65 2.27 -4.29 1.61 8.00 -1.26 -5.03 116.55 128.50 2yuv n ASP 84 Ca 0.00 -2.05 -0.16 0.00 0.71 0.00 0.00 54.79 53.28 2yuv n ASP 84 Cb 0.00 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.09 1.16 0.19 -1.24 0.41 -0.98 -5.03 118.70 112.11 2yuv s GLU 85 Ca 0.08 -1.48 -0.23 0.00 -0.41 0.00 0.00 54.97 52.92 2yuv s GLU 85 Cb 0.04 -0.85 0.05 0.00 -1.78 0.00 0.00 34.13 31.60 2yuv s GLU 85 CO 0.04 0.13 0.74 -1.59 -0.49 0.00 0.00 175.26 174.09 2yuv s LYS 86 N -3.58 1.44 0.04 1.61 0.00 -1.26 -0.79 119.74 117.18 2yuv s LYS 86 Ca 0.18 -0.70 -0.16 0.00 0.00 0.00 0.00 55.97 55.29 2yuv s LYS 86 Cb 0.00 0.55 0.03 0.00 0.00 0.00 0.00 37.83 38.41 2yuv s LYS 86 CO 0.03 -0.65 0.36 0.00 0.00 0.00 0.00 175.35 175.09 2yuv s SER 88 N -1.94 2.53 0.25 0.00 1.04 -1.26 -1.09 113.70 113.23 2yuv s SER 88 Ca -0.06 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 55.53 2yuv s SER 88 Cb -0.01 -0.14 -0.05 0.00 0.10 0.00 0.00 66.02 65.92 2yuv s SER 88 CO -0.02 -0.06 0.09 0.28 0.98 0.00 0.00 173.24 174.51 2yuv s THR 89 N -2.09 0.53 -0.06 2.02 -1.32 0.90 -4.90 115.64 110.73 2yuv s THR 89 Ca 0.14 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.66 2yuv s THR 89 Cb -0.05 -2.58 -0.02 0.00 -1.51 0.00 0.00 72.50 68.33 2yuv s THR 89 CO 0.06 -0.04 -0.15 -0.70 -2.21 0.00 0.00 174.62 171.57 2yuv s GLU 90 N -4.03 2.63 -0.17 7.08 -6.30 -1.26 -2.76 118.70 113.89 2yuv s GLU 90 Ca 0.37 -0.71 -0.02 0.00 -2.50 0.00 0.00 54.97 52.10 2yuv s GLU 90 Cb 0.08 -2.39 -0.01 0.00 0.00 0.00 0.00 34.13 31.80 2yuv s GLU 90 CO 0.13 0.54 -0.08 -1.17 0.02 0.00 0.00 175.26 174.70 2yuv s LEU 91 N -0.53 2.83 -0.44 2.70 1.98 -1.26 0.17 118.68 124.14 2yuv s LEU 91 Ca 0.07 -0.34 0.03 0.00 -2.89 0.00 0.00 54.13 51.00 2yuv s LEU 91 Cb -0.12 -1.68 0.12 0.00 0.66 0.00 0.00 46.19 45.17 2yuv s LEU 91 CO 0.01 0.08 0.19 -0.36 -1.89 0.00 0.00 176.35 174.38 2yuv s PHE 92 N 0.86 2.99 -0.44 5.38 0.08 -0.60 -4.46 117.98 121.79 2yuv s PHE 92 Ca -0.02 -2.87 -0.22 0.00 0.12 0.00 0.00 56.93 53.93 2yuv s PHE 92 Cb -0.15 -2.58 0.02 0.00 -0.57 0.00 0.00 43.02 39.74 2yuv s PHE 92 CO 0.01 -0.82 0.73 0.54 -0.10 0.00 0.00 175.22 175.58 2yuv s VAL 93 N 0.30 4.73 0.89 -0.44 0.11 -1.26 -2.16 120.40 122.57 2yuv s VAL 93 Ca 0.15 0.34 -0.14 0.00 -2.93 0.00 0.00 61.98 59.40 2yuv s VAL 93 Cb -0.23 -4.26 0.14 0.00 -1.53 0.00 0.00 36.38 30.50 2yuv s VAL 93 CO -0.04 -0.64 1.24 -0.13 -3.33 0.00 0.00 175.10 172.20 2yuv s ARG 94 N 3.08 1.27 -0.14 1.54 0.52 0.78 -4.73 118.95 121.27 2yuv s ARG 94 Ca 0.27 -0.12 -0.05 0.00 -0.52 0.00 0.00 55.73 55.31 2yuv s ARG 94 Cb -0.13 -1.89 0.07 0.00 0.52 0.00 0.00 34.95 33.52 2yuv s ARG 94 CO 0.21 -2.03 0.28 -1.54 0.02 0.00 0.00 175.30 172.23 2yuv s SER 95 N -4.69 0.33 -0.10 0.23 1.04 -1.26 0.11 113.70 109.36 2yuv s SER 95 Ca 0.68 0.59 -0.21 0.00 0.48 0.00 0.00 55.95 57.49 2yuv s SER 95 Cb -0.08 0.76 0.05 0.00 0.10 0.00 0.00 66.02 66.85 2yuv s SER 95 CO 0.51 -0.24 0.50 -0.83 0.98 0.00 0.00 173.24 174.16 2yuv s GLY 96 N 2.44 -0.37 0.12 7.32 0.00 -1.26 -5.01 107.32 110.55 2yuv s GLY 96 Ca 0.01 1.09 -0.31 0.00 0.00 0.00 0.00 44.72 45.51 2yuv s GLY 96 CO -0.09 0.84 1.36 2.56 0.00 0.00 0.00 173.10 177.76 2yuv s PRO 97 N -0.62 4.34 -1.57 2.90 0.04 -1.26 -3.42 135.00 135.42 2yuv s PRO 97 Ca -0.07 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 62.93 2yuv s PRO 97 Cb -0.03 -3.25 0.07 0.00 0.04 0.00 0.00 34.50 31.33 2yuv s PRO 97 CO 0.04 -0.39 0.18 -1.13 0.04 0.00 0.00 177.00 175.74 2yuv n SER 98 N 3.80 0.09 -4.59 6.66 3.41 -1.26 -4.77 113.62 116.96 2yuv n SER 98 Ca 0.11 -1.20 -0.42 0.00 -0.26 0.00 0.00 58.87 57.10 2yuv n SER 98 Cb 0.43 -1.51 -0.03 0.00 -0.26 0.00 0.00 64.21 62.85 2yuv n SER 98 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yuv s SER 99 N -3.95 5.80 0.00 4.04 0.15 -1.22 -5.31 113.70 113.22 2yuv s SER 99 Ca 0.25 0.95 0.32 0.00 0.70 0.00 0.00 55.95 58.16 2yuv s SER 99 Cb -0.14 -2.53 1.81 0.00 -1.71 0.00 0.00 66.02 63.44 2yuv s SER 99 CO 0.95 -1.84 2.17 0.61 1.20 0.00 0.00 173.24 176.33