#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 5.54 -0.64 1.61 0.15 -1.26 -4.95 113.70 114.15 2yuv s SER 2 Ca 0.00 -1.75 0.00 0.00 0.70 0.00 0.00 55.95 54.90 2yuv s SER 2 Cb 0.00 -1.95 0.42 0.00 -1.71 0.00 0.00 66.02 62.79 2yuv s SER 2 CO 0.00 -0.58 1.81 -1.20 1.20 0.00 0.00 173.24 174.47 2yuv n SER 3 N 4.83 6.94 -3.48 5.45 7.64 -1.26 -4.96 113.62 128.77 2yuv n SER 3 Ca -0.08 -3.79 -0.11 0.00 1.01 0.00 0.00 58.87 55.90 2yuv n SER 3 Cb 0.42 -0.85 -0.03 0.00 -1.01 0.00 0.00 64.21 62.74 2yuv n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yuv s GLY 4 N -2.07 -0.52 0.31 0.23 0.00 -1.26 -5.19 107.32 98.83 2yuv s GLY 4 Ca 0.58 0.94 -0.18 0.00 0.00 0.00 0.00 44.72 46.06 2yuv s GLY 4 CO -0.13 0.40 0.70 -1.35 0.00 0.00 0.00 173.10 172.73 2yuv s SER 5 N -2.31 -0.11 -0.10 1.64 1.04 -1.26 -5.10 113.70 107.49 2yuv s SER 5 Ca 0.01 -0.84 -0.09 0.00 0.48 0.00 0.00 55.95 55.51 2yuv s SER 5 Cb -0.01 0.75 -0.03 0.00 0.10 0.00 0.00 66.02 66.83 2yuv s SER 5 CO -0.07 -1.43 -0.17 -0.24 0.98 0.00 0.00 173.24 172.31 2yuv n SER 6 N -0.78 1.21 0.00 7.02 2.88 -1.26 -5.12 113.62 117.57 2yuv n SER 6 Ca -0.05 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2yuv n SER 6 Cb 0.60 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 2yuv n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuv n GLY 7 N 1.57 -1.19 3.41 0.46 0.00 -1.26 -5.13 105.19 103.04 2yuv n GLY 7 Ca -0.07 0.60 0.01 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.00 -2.74 -0.09 4.61 0.00 -1.26 -5.05 121.76 116.23 2yuv s ALA 8 Ca 0.00 2.03 0.05 0.00 0.00 0.00 0.00 51.96 54.04 2yuv s ALA 8 Cb 0.00 -2.05 -0.09 0.00 0.00 0.00 0.00 23.12 20.98 2yuv s ALA 8 CO 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 175.76 174.89 2yuv n ALA 9 N 4.70 1.80 -2.73 0.00 0.00 -1.26 -4.84 120.51 118.17 2yuv n ALA 9 Ca -0.10 -0.50 -0.44 0.00 0.00 0.00 0.00 53.44 52.40 2yuv n ALA 9 Cb 0.54 0.13 -0.06 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.20 3.01 0.25 0.00 0.08 -1.26 -0.82 117.98 117.04 2yuv s PHE 10 Ca -0.07 -0.44 0.36 0.00 0.12 0.00 0.00 56.93 56.91 2yuv s PHE 10 Cb 0.03 -3.60 1.64 0.00 -0.57 0.00 0.00 43.02 40.51 2yuv s PHE 10 CO 0.30 -1.07 2.08 0.00 -0.10 0.00 0.00 175.22 176.44 2yuv h ALA 11 N 9.03 1.00 -1.72 5.36 0.00 -1.82 -3.40 119.26 127.71 2yuv h ALA 11 Ca -0.27 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2yuv h ALA 11 Cb 1.09 -0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.60 2yuv h ALA 11 CO 0.98 0.00 -0.45 0.21 0.00 0.00 0.00 179.25 179.99 2yuv s LYS 12 N -3.79 0.39 0.55 0.00 2.20 -1.25 -4.92 119.74 112.91 2yuv s LYS 12 Ca -0.00 0.59 -0.10 0.00 -0.36 0.00 0.00 55.97 56.09 2yuv s LYS 12 Cb 0.10 -0.29 -0.05 0.00 -1.51 0.00 0.00 37.83 36.08 2yuv s LYS 12 CO 0.51 -0.67 0.94 0.96 -0.36 0.00 0.00 175.35 176.73 2yuv s ILE 13 N 2.60 4.74 0.54 5.43 -5.25 -1.26 -2.41 121.20 125.59 2yuv s ILE 13 Ca 0.14 0.74 -0.21 0.00 -0.99 0.00 0.00 60.65 60.33 2yuv s ILE 13 Cb -0.15 -3.83 -0.05 0.00 2.95 0.00 0.00 42.46 41.38 2yuv s ILE 13 CO -0.18 -0.94 1.25 -0.76 -1.79 0.00 0.00 174.94 172.52 2yuv s LEU 14 N -4.76 3.81 0.98 0.37 1.43 -1.26 -4.96 118.68 114.29 2yuv s LEU 14 Ca 0.53 2.50 -0.14 0.00 -1.03 0.00 0.00 54.13 55.99 2yuv s LEU 14 Cb -0.11 -4.40 -0.00 0.00 0.03 0.00 0.00 46.19 41.71 2yuv s LEU 14 CO 0.46 -1.42 0.07 0.47 0.23 0.00 0.00 176.35 176.15 2yuv n ASP 15 N -1.13 -2.98 0.15 2.29 9.92 -1.26 -4.84 116.55 118.70 2yuv n ASP 15 Ca 0.11 0.25 0.12 0.00 -0.53 0.00 0.00 54.79 54.74 2yuv n ASP 15 Cb 0.48 -1.07 0.52 0.00 -0.64 0.00 0.00 41.12 40.40 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 -1.48 0.00 -1.28 -0.24 0.13 -1.93 -3.42 132.00 123.79 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 1.30 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.12 2yuv h PRO 16 CO 0.32 0.00 0.64 0.00 -0.23 0.00 0.00 178.00 178.73 2yuv s ALA 17 N -3.36 -2.33 0.29 -0.56 0.00 -1.26 -4.02 121.76 110.53 2yuv s ALA 17 Ca 0.04 1.93 0.08 0.00 0.00 0.00 0.00 51.96 54.02 2yuv s ALA 17 Cb 0.09 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 2yuv s ALA 17 CO 0.40 -0.25 0.12 0.71 0.00 0.00 0.00 175.76 176.74 2yuv s TYR 18 N 0.69 2.81 -0.14 0.00 1.51 0.64 -4.96 117.35 117.91 2yuv s TYR 18 Ca -0.02 -0.26 -0.06 0.00 -1.01 0.00 0.00 57.07 55.72 2yuv s TYR 18 Cb -0.04 -1.44 0.06 0.00 -0.11 0.00 0.00 41.96 40.43 2yuv s TYR 18 CO -0.12 0.47 0.31 -0.65 -1.11 0.00 0.00 175.55 174.44 2yuv s GLN 19 N -3.80 0.25 0.06 -0.62 -0.21 -1.26 -0.98 119.66 113.10 2yuv s GLN 19 Ca 0.35 0.70 0.00 0.00 0.02 0.00 0.00 55.36 56.42 2yuv s GLN 19 Cb -0.05 -0.03 -0.04 0.00 1.00 0.00 0.00 33.01 33.89 2yuv s GLN 19 CO 0.23 -0.20 -0.04 0.54 -2.12 0.00 0.00 175.29 173.69 2yuv s VAL 20 N 1.69 0.36 0.32 1.09 0.11 -0.95 -4.98 120.40 118.04 2yuv s VAL 20 Ca -0.06 -1.72 -0.26 0.00 -2.93 0.00 0.00 61.98 57.01 2yuv s VAL 20 Cb -0.10 -1.39 -0.10 0.00 -1.53 0.00 0.00 36.38 33.26 2yuv s VAL 20 CO -0.10 -0.88 0.97 1.51 -3.33 0.00 0.00 175.10 173.27 2yuv s ASP 21 N -2.74 7.29 0.63 3.54 1.47 -1.26 -1.44 116.67 124.15 2yuv s ASP 21 Ca 0.05 1.91 -0.18 0.00 1.18 0.00 0.00 52.55 55.51 2yuv s ASP 21 Cb 0.04 -2.59 -0.12 0.00 -0.34 0.00 0.00 42.92 39.92 2yuv s ASP 21 CO -0.07 -0.11 0.03 1.17 0.68 0.00 0.00 175.17 176.87 2yuv n LYS 22 N 0.62 0.15 -3.27 2.11 4.81 -0.91 -0.91 118.16 120.75 2yuv n LYS 22 Ca 0.02 0.06 -0.18 0.00 -0.87 0.00 0.00 58.31 57.34 2yuv n LYS 22 Cb 0.49 -1.29 -0.03 0.00 0.02 0.00 0.00 35.03 34.23 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 2.35 -0.47 0.00 3.14 0.00 0.56 -4.82 105.19 105.94 2yuv n GLY 23 Ca 0.08 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.80 3.09 2.95 -0.02 0.00 -0.09 -4.49 105.19 105.83 2yuv n GLY 24 Ca 0.03 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 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 4.23 0.12 0.35 1.61 3.52 -1.26 -1.60 118.95 125.92 2yuv s ARG 25 Ca 0.00 0.49 -0.00 0.00 -0.13 0.00 0.00 55.73 56.09 2yuv s ARG 25 Cb 0.00 -0.17 -0.03 0.00 -1.56 0.00 0.00 34.95 33.19 2yuv s ARG 25 CO 0.00 -0.21 0.57 0.14 -0.81 0.00 0.00 175.30 174.99 2yuv s VAL 26 N 1.55 5.08 -0.19 7.11 -7.23 -1.22 -4.91 120.40 120.60 2yuv s VAL 26 Ca -0.06 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.75 2yuv s VAL 26 Cb -0.11 -3.85 0.05 0.00 0.56 0.00 0.00 36.38 33.02 2yuv s VAL 26 CO -0.07 -0.56 -0.06 -0.60 -0.31 0.00 0.00 175.10 173.50 2yuv s ARG 27 N -4.27 1.62 -0.30 4.82 3.52 -1.26 -3.51 118.95 119.56 2yuv s ARG 27 Ca 0.41 -0.69 -0.00 0.00 -0.13 0.00 0.00 55.73 55.32 2yuv s ARG 27 Cb -0.10 -2.23 0.06 0.00 -1.56 0.00 0.00 34.95 31.12 2yuv s ARG 27 CO 0.36 -0.46 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.32 2yuv s PHE 28 N 1.53 3.33 -0.03 5.12 0.08 -0.41 -4.97 117.98 122.63 2yuv s PHE 28 Ca -0.01 -2.12 0.01 0.00 0.12 0.00 0.00 56.93 54.93 2yuv s PHE 28 Cb -0.16 -2.20 -0.03 0.00 -0.57 0.00 0.00 43.02 40.05 2yuv s PHE 28 CO -0.08 -0.85 -0.02 0.08 -0.10 0.00 0.00 175.22 174.26 2yuv s VAL 29 N 1.18 4.08 -0.05 -0.44 1.01 -1.26 -0.10 120.40 124.82 2yuv s VAL 29 Ca -0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 2yuv s VAL 29 Cb -0.20 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.43 2yuv s VAL 29 CO -0.03 0.47 0.12 0.68 0.00 0.00 0.00 175.10 176.33 2yuv s VAL 30 N -0.99 -0.02 0.26 2.92 -7.23 -0.22 -4.47 120.40 110.66 2yuv s VAL 30 Ca 0.17 0.08 0.05 0.00 -1.81 0.00 0.00 61.98 60.46 2yuv s VAL 30 Cb -0.11 -0.18 -0.03 0.00 0.56 0.00 0.00 36.38 36.62 2yuv s VAL 30 CO 0.07 0.03 0.39 -0.70 -0.31 0.00 0.00 175.10 174.58 2yuv s GLU 31 N 0.51 3.40 -0.03 4.82 2.12 -1.01 -1.25 118.70 127.27 2yuv s GLU 31 Ca -0.04 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.54 2yuv s GLU 31 Cb -0.05 -2.86 0.03 0.00 0.26 0.00 0.00 34.13 31.50 2yuv s GLU 31 CO -0.02 0.36 0.01 -0.51 -0.54 0.00 0.00 175.26 174.56 2yuv s LEU 32 N -4.03 1.11 0.59 2.70 1.43 -1.19 -2.92 118.68 116.37 2yuv s LEU 32 Ca 0.36 0.00 0.30 0.00 -1.03 0.00 0.00 54.13 53.76 2yuv s LEU 32 Cb -0.09 -0.16 1.81 0.00 0.03 0.00 0.00 46.19 47.78 2yuv s LEU 32 CO 0.30 -0.12 2.22 0.00 0.23 0.00 0.00 176.35 178.98 2yuv h ALA 33 N 7.30 1.57 -2.75 4.21 0.00 -1.31 -3.43 119.26 124.85 2yuv h ALA 33 Ca -0.43 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 2yuv h ALA 33 Cb 1.13 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.69 2yuv h ALA 33 CO 0.47 -0.07 -0.29 -0.51 0.00 0.00 0.00 179.25 178.85 2yuv s ASP 34 N -6.01 -0.32 0.34 0.00 1.11 -1.26 -5.05 116.67 105.49 2yuv s ASP 34 Ca -0.05 0.51 0.13 0.00 0.18 0.00 0.00 52.55 53.33 2yuv s ASP 34 Cb 0.15 0.59 0.61 0.00 1.07 0.00 0.00 42.92 45.34 2yuv s ASP 34 CO 0.54 -0.23 1.75 1.55 1.18 0.00 0.00 175.17 179.95 2yuv h PRO 35 N 5.01 0.00 -0.33 8.23 0.13 -1.96 -2.95 132.00 140.13 2yuv h PRO 35 Ca -0.27 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.95 2yuv h PRO 35 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2yuv h PRO 35 CO 0.32 0.45 0.26 1.57 -0.23 0.00 0.00 178.00 180.37 2yuv h LYS 36 N 0.00 0.00 -7.16 0.86 5.09 -1.98 -3.42 116.57 109.95 2yuv h LYS 36 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 60.65 60.21 2yuv h LYS 36 Cb 0.84 0.00 0.13 0.00 0.10 0.00 0.00 32.23 33.30 2yuv h LYS 36 CO 0.06 0.00 0.40 -0.51 -2.09 0.00 0.00 179.45 177.31 2yuv s LEU 37 N -8.56 3.41 0.03 7.07 1.43 -1.12 -5.04 118.68 115.91 2yuv s LEU 37 Ca -0.05 2.27 0.04 0.00 -1.03 0.00 0.00 54.13 55.36 2yuv s LEU 37 Cb 0.18 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 2yuv s LEU 37 CO 0.67 -1.94 -0.07 -0.70 0.23 0.00 0.00 176.35 174.54 2yuv s GLU 38 N -3.82 2.48 0.03 1.70 2.12 -1.26 -5.01 118.70 114.93 2yuv s GLU 38 Ca 0.73 -0.78 0.04 0.00 0.36 0.00 0.00 54.97 55.32 2yuv s GLU 38 Cb -0.27 -2.47 -0.03 0.00 0.26 0.00 0.00 34.13 31.62 2yuv s GLU 38 CO 0.41 0.58 -0.08 0.14 -0.54 0.00 0.00 175.26 175.77 2yuv s VAL 39 N -1.06 3.50 -0.10 3.70 -7.23 -1.26 -3.98 120.40 113.98 2yuv s VAL 39 Ca 0.18 -0.91 -0.04 0.00 -1.81 0.00 0.00 61.98 59.40 2yuv s VAL 39 Cb -0.11 -2.54 0.05 0.00 0.56 0.00 0.00 36.38 34.34 2yuv s VAL 39 CO 0.09 0.33 0.21 -0.54 -0.31 0.00 0.00 175.10 174.88 2yuv s LYS 40 N -1.57 0.11 -0.19 4.82 1.02 -1.07 -4.98 119.74 117.88 2yuv s LYS 40 Ca 0.18 0.59 -0.13 0.00 0.02 0.00 0.00 55.97 56.63 2yuv s LYS 40 Cb -0.11 -0.15 -0.05 0.00 -0.52 0.00 0.00 37.83 37.00 2yuv s LYS 40 CO 0.09 -0.25 0.25 -1.58 -0.92 0.00 0.00 175.35 172.94 2yuv s TRP 41 N 1.96 3.41 0.11 3.18 0.52 -1.26 -2.32 118.94 124.53 2yuv s TRP 41 Ca -0.02 0.48 0.08 0.00 0.02 0.00 0.00 56.10 56.66 2yuv s TRP 41 Cb -0.12 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 29.85 2yuv s TRP 41 CO -0.07 0.18 -0.19 0.71 0.02 0.00 0.00 176.95 177.60 2yuv s TYR 42 N 0.68 1.69 -0.29 -1.98 1.51 -1.11 -1.19 117.35 116.66 2yuv s TYR 42 Ca 0.14 -0.44 -0.00 0.00 -1.01 0.00 0.00 57.07 55.76 2yuv s TYR 42 Cb -0.13 -0.92 0.09 0.00 -0.11 0.00 0.00 41.96 40.89 2yuv s TYR 42 CO 0.03 0.20 0.06 0.21 -1.11 0.00 0.00 175.55 174.94 2yuv s LYS 43 N -2.02 0.93 -1.32 -0.62 2.20 0.98 -2.94 119.74 116.94 2yuv s LYS 43 Ca 0.06 -1.10 -0.02 0.00 -0.36 0.00 0.00 55.97 54.54 2yuv s LYS 43 Cb -0.09 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.98 2yuv s LYS 43 CO 0.04 -0.89 0.33 0.09 -0.36 0.00 0.00 175.35 174.56 2yuv n ASN 44 N 4.76 -5.15 0.00 1.43 4.13 -1.19 -2.39 115.26 116.85 2yuv n ASN 44 Ca -0.03 -0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.07 2yuv n ASN 44 Cb 0.43 -4.08 0.00 0.00 -1.54 0.00 0.00 39.78 34.59 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 -1.26 0.66 3.09 7.41 0.00 -1.26 -5.07 105.19 108.77 2yuv n GLY 45 Ca -0.13 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 2yuv n GLY 45 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yuv s GLN 46 N -2.47 1.58 0.03 1.61 2.00 -1.01 -5.11 119.66 116.29 2yuv s GLN 46 Ca 0.00 -0.51 -0.30 0.00 -2.00 0.00 0.00 55.36 52.54 2yuv s GLN 46 Cb 0.00 -1.38 -0.06 0.00 0.80 0.00 0.00 33.01 32.37 2yuv s GLN 46 CO 0.00 0.18 1.36 -2.00 -0.50 0.00 0.00 175.29 174.34 2yuv s GLU 47 N 0.16 4.31 -0.02 1.67 2.12 -1.26 -0.02 118.70 125.66 2yuv s GLU 47 Ca -0.05 1.95 -0.19 0.00 0.36 0.00 0.00 54.97 57.04 2yuv s GLU 47 Cb -0.11 -3.47 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 2yuv s GLU 47 CO 0.02 -0.50 0.54 0.42 -0.54 0.00 0.00 175.26 175.21 2yuv s ILE 48 N 1.93 4.97 -0.02 -3.70 1.01 -0.33 -4.91 121.20 120.15 2yuv s ILE 48 Ca 0.63 1.13 0.01 0.00 0.00 0.00 0.00 60.65 62.41 2yuv s ILE 48 Cb -0.32 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 2yuv s ILE 48 CO 0.27 0.43 -0.00 0.00 0.00 0.00 0.00 174.94 175.64 2yuv s ARG 49 N -0.19 2.82 -0.12 2.79 1.70 -1.26 -4.78 118.95 119.91 2yuv s ARG 49 Ca 0.29 -0.57 -0.29 0.00 -0.47 0.00 0.00 55.73 54.69 2yuv s ARG 49 Cb -0.17 -2.69 -0.04 0.00 -0.57 0.00 0.00 34.95 31.48 2yuv s ARG 49 CO 0.15 0.64 1.54 -1.25 -1.08 0.00 0.00 175.30 175.31 2yuv s PRO 50 N -1.40 4.12 0.28 3.89 0.04 -1.26 -4.71 135.00 135.95 2yuv s PRO 50 Ca 0.18 1.94 -0.08 0.00 0.04 0.00 0.00 61.00 63.08 2yuv s PRO 50 Cb -0.11 -3.94 -0.00 0.00 0.04 0.00 0.00 34.50 30.48 2yuv s PRO 50 CO 0.08 -0.90 0.44 -1.54 0.04 0.00 0.00 177.00 175.12 2yuv s SER 51 N 3.16 0.29 0.53 6.66 1.04 -1.00 -4.94 113.70 119.43 2yuv s SER 51 Ca 0.68 -1.19 0.45 0.00 0.48 0.00 0.00 55.95 56.37 2yuv s SER 51 Cb -0.28 0.59 1.66 0.00 0.10 0.00 0.00 66.02 68.09 2yuv s SER 51 CO 0.25 -1.17 1.60 0.74 0.98 0.00 0.00 173.24 175.64 2yuv h THR 52 N 2.25 0.05 0.21 2.02 2.02 -2.00 1.29 112.91 118.74 2yuv h THR 52 Ca -0.28 -0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.58 2yuv h THR 52 Cb 1.25 0.04 0.04 0.00 -1.74 0.00 0.00 68.15 67.73 2yuv h THR 52 CO 0.39 0.00 -1.34 0.50 0.37 0.00 0.00 175.52 175.44 2yuv h LYS 53 N 0.01 0.54 -4.69 6.66 3.64 -1.93 -3.43 116.57 117.37 2yuv h LYS 53 Ca 0.89 -0.86 -0.69 0.00 -1.27 0.00 0.00 60.65 58.73 2yuv h LYS 53 Cb 3.40 0.31 -0.21 0.00 -0.41 0.00 0.00 32.23 35.32 2yuv h LYS 53 CO -0.13 1.41 -0.50 0.71 -2.27 0.00 0.00 179.45 178.67 2yuv s TYR 54 N -2.68 3.22 -0.49 1.91 2.02 0.44 -2.57 117.35 119.19 2yuv s TYR 54 Ca -0.10 -0.49 -0.14 0.00 -0.37 0.00 0.00 57.07 55.97 2yuv s TYR 54 Cb 0.04 -2.45 0.10 0.00 -0.40 0.00 0.00 41.96 39.25 2yuv s TYR 54 CO 0.93 -0.46 0.42 0.42 -1.57 0.00 0.00 175.55 175.28 2yuv s ILE 55 N 1.66 5.03 -0.32 2.71 -1.09 -0.83 -2.38 121.20 125.98 2yuv s ILE 55 Ca 0.05 -1.33 -0.24 0.00 -2.23 0.00 0.00 60.65 56.89 2yuv s ILE 55 Cb -0.18 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 2yuv s ILE 55 CO 0.08 -0.70 0.84 -0.36 -1.23 0.00 0.00 174.94 173.57 2yuv s PHE 56 N 1.58 3.18 0.09 3.97 0.40 -1.26 -2.89 117.98 123.05 2yuv s PHE 56 Ca 0.04 0.85 0.08 0.00 -0.60 0.00 0.00 56.93 57.30 2yuv s PHE 56 Cb -0.27 -3.33 -0.03 0.00 0.51 0.00 0.00 43.02 39.90 2yuv s PHE 56 CO 0.04 -0.62 -0.21 -1.21 0.70 0.00 0.00 175.22 173.92 2yuv s GLU 57 N 3.10 1.15 -0.05 0.44 2.02 -0.97 -5.00 118.70 119.39 2yuv s GLU 57 Ca 0.35 -1.13 -0.00 0.00 0.02 0.00 0.00 54.97 54.21 2yuv s GLU 57 Cb -0.14 -1.39 0.03 0.00 0.10 0.00 0.00 34.13 32.73 2yuv s GLU 57 CO 0.14 0.33 -0.01 -3.38 0.02 0.00 0.00 175.26 172.36 2yuv s HIS 58 N -1.12 0.52 -0.22 1.61 -3.43 -1.26 -0.70 115.29 110.69 2yuv s HIS 58 Ca 0.06 -0.09 -0.04 0.00 -0.80 0.00 0.00 55.06 54.19 2yuv s HIS 58 Cb -0.10 -0.60 0.08 0.00 -1.43 0.00 0.00 32.58 30.53 2yuv s HIS 58 CO 0.04 -0.21 0.10 0.15 -2.00 0.00 0.00 174.74 172.82 2yuv s LYS 59 N 1.35 0.21 -0.07 -0.38 1.02 -0.81 -4.96 119.74 116.10 2yuv s LYS 59 Ca -0.05 -0.32 -0.03 0.00 0.02 0.00 0.00 55.97 55.59 2yuv s LYS 59 Cb -0.13 -1.65 0.01 0.00 -0.52 0.00 0.00 37.83 35.54 2yuv s LYS 59 CO -0.02 -0.80 0.06 0.41 -0.92 0.00 0.00 175.35 174.08 2yuv n GLY 60 N 5.22 -1.68 3.80 -3.33 0.00 -1.26 -2.94 105.19 105.00 2yuv n GLY 60 Ca -0.07 0.49 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 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 -6.09 0.37 -0.11 0.00 0.74 -1.15 -3.15 119.66 110.27 2yuv s GLN 62 Ca 0.07 0.15 -0.00 0.00 0.05 0.00 0.00 55.36 55.62 2yuv s GLN 62 Cb -0.04 0.17 0.02 0.00 1.10 0.00 0.00 33.01 34.26 2yuv s GLN 62 CO 0.72 -0.07 -0.07 1.03 -0.55 0.00 0.00 175.29 176.36 2yuv s ARG 63 N -0.31 1.45 0.16 1.67 1.81 -0.38 -1.91 118.95 121.43 2yuv s ARG 63 Ca -0.04 -0.23 0.07 0.00 -1.72 0.00 0.00 55.73 53.81 2yuv s ARG 63 Cb -0.03 -1.51 -0.04 0.00 -0.45 0.00 0.00 34.95 32.92 2yuv s ARG 63 CO 0.01 -0.25 -0.03 0.42 -0.68 0.00 0.00 175.30 174.77 2yuv s ILE 64 N 1.65 3.58 -0.03 1.52 1.09 0.12 -1.05 121.20 128.08 2yuv s ILE 64 Ca 0.03 -1.42 -0.00 0.00 -1.10 0.00 0.00 60.65 58.16 2yuv s ILE 64 Cb -0.13 -2.77 0.03 0.00 -1.06 0.00 0.00 42.46 38.53 2yuv s ILE 64 CO -0.07 -0.06 0.03 -0.22 -0.10 0.00 0.00 174.94 174.51 2yuv s LEU 65 N -2.77 0.89 -0.03 2.97 1.98 0.86 -2.28 118.68 120.30 2yuv s LEU 65 Ca 0.26 0.03 0.07 0.00 -2.89 0.00 0.00 54.13 51.59 2yuv s LEU 65 Cb -0.10 -0.13 -0.02 0.00 0.66 0.00 0.00 46.19 46.60 2yuv s LEU 65 CO 0.17 -0.15 -0.22 -0.36 -1.89 0.00 0.00 176.35 173.90 2yuv s PHE 66 N 1.32 2.46 -0.32 5.38 0.08 -1.14 -1.28 117.98 124.47 2yuv s PHE 66 Ca -0.06 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.65 2yuv s PHE 66 Cb -0.13 -1.54 0.10 0.00 -0.57 0.00 0.00 43.02 40.88 2yuv s PHE 66 CO -0.03 0.04 0.08 0.42 -0.10 0.00 0.00 175.22 175.62 2yuv s ILE 67 N -0.65 1.39 0.67 0.64 1.01 -1.23 -1.96 121.20 121.07 2yuv s ILE 67 Ca 0.10 -1.72 -0.12 0.00 0.00 0.00 0.00 60.65 58.91 2yuv s ILE 67 Cb -0.10 -2.03 -0.00 0.00 0.01 0.00 0.00 42.46 40.34 2yuv s ILE 67 CO -0.00 -0.63 1.06 0.20 0.00 0.00 0.00 174.94 175.57 2yuv s ASN 68 N 1.36 5.43 -0.86 3.58 0.01 -1.06 -3.37 114.94 120.03 2yuv s ASN 68 Ca 0.10 1.69 -0.00 0.00 -0.71 0.00 0.00 52.86 53.94 2yuv s ASN 68 Cb -0.18 -2.51 -0.00 0.00 0.41 0.00 0.00 41.25 38.97 2yuv s ASN 68 CO -0.18 -1.41 0.72 0.59 -1.51 0.00 0.00 177.10 175.30 2yuv n ASN 69 N -2.83 -2.15 -4.55 -1.22 3.02 -0.62 -4.90 115.26 102.00 2yuv n ASN 69 Ca 0.08 -0.45 -0.39 0.00 -0.03 0.00 0.00 54.58 53.80 2yuv n ASN 69 Cb 0.53 -3.83 -0.03 0.00 -0.61 0.00 0.00 39.78 35.84 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 6.95 2.49 0.30 0.00 2.00 -1.26 0.21 119.66 130.34 2yuv s GLN 71 Ca 0.67 -1.52 0.03 0.00 -2.00 0.00 0.00 55.36 52.55 2yuv s GLN 71 Cb -0.13 -2.28 0.76 0.00 0.80 0.00 0.00 33.01 32.16 2yuv s GLN 71 CO 0.21 0.00 1.62 1.98 -0.50 0.00 0.00 175.29 178.60 2yuv h MET 72 N 1.32 0.13 -0.26 1.67 4.05 -1.89 1.08 114.93 121.02 2yuv h MET 72 Ca -0.43 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 58.96 2yuv h MET 72 Cb 1.26 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.01 2yuv h MET 72 CO 0.61 0.08 0.10 1.79 0.23 0.00 0.00 176.91 179.73 2yuv h THR 73 N 0.13 1.11 -0.63 -0.77 1.35 -1.96 -2.47 112.91 109.67 2yuv h THR 73 Ca 0.58 -0.35 0.06 0.00 -0.55 0.00 0.00 66.41 66.14 2yuv h THR 73 Cb 1.22 0.81 -0.05 0.00 -1.73 0.00 0.00 68.15 68.39 2yuv h THR 73 CO -0.74 0.13 0.34 -0.78 -0.25 0.00 0.00 175.52 174.23 2yuv h ASP 74 N 0.37 0.50 -0.13 5.36 3.58 0.87 -3.39 116.42 123.58 2yuv h ASP 74 Ca 0.09 0.03 -0.18 0.00 0.42 0.00 0.00 57.03 57.39 2yuv h ASP 74 Cb 0.09 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.02 2yuv h ASP 74 CO -0.01 0.32 1.11 -0.67 -2.88 0.00 0.00 179.24 177.11 2yuv n ASP 75 N -4.82 -0.18 -4.22 2.28 2.03 -0.93 -4.81 116.55 105.90 2yuv n ASP 75 Ca 0.08 -1.08 -0.16 0.00 0.52 0.00 0.00 54.79 54.15 2yuv n ASP 75 Cb 0.17 -1.01 -0.10 0.00 -0.72 0.00 0.00 41.12 39.46 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 4.40 0.95 0.03 1.67 0.15 -1.26 -4.93 113.70 114.70 2yuv s SER 76 Ca 1.04 -1.42 -0.28 0.00 0.70 0.00 0.00 55.95 55.99 2yuv s SER 76 Cb -0.47 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.06 2yuv s SER 76 CO 0.33 -0.79 0.88 -1.83 1.20 0.00 0.00 173.24 173.02 2yuv s GLU 77 N -4.03 4.56 0.02 5.44 -1.05 -1.26 -3.42 118.70 118.97 2yuv s GLU 77 Ca 0.38 1.25 0.08 0.00 -0.15 0.00 0.00 54.97 56.53 2yuv s GLU 77 Cb 0.07 -3.42 -0.02 0.00 -0.44 0.00 0.00 34.13 30.32 2yuv s GLU 77 CO 0.14 0.11 -0.22 0.71 0.95 0.00 0.00 175.26 176.95 2yuv s TYR 78 N 0.48 1.98 -0.14 4.83 1.51 -1.06 -3.16 117.35 121.80 2yuv s TYR 78 Ca 0.45 -0.38 -0.06 0.00 -1.01 0.00 0.00 57.07 56.07 2yuv s TYR 78 Cb -0.21 -1.21 0.06 0.00 -0.11 0.00 0.00 41.96 40.49 2yuv s TYR 78 CO 0.26 0.06 0.31 1.52 -1.11 0.00 0.00 175.55 176.58 2yuv s TYR 79 N -0.71 -0.48 0.00 2.71 1.13 -1.15 -0.08 117.35 118.78 2yuv s TYR 79 Ca 0.09 1.04 0.00 0.00 -1.41 0.00 0.00 57.07 56.79 2yuv s TYR 79 Cb -0.09 0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.84 2yuv s TYR 79 CO 0.01 -0.32 0.07 0.54 -2.51 0.00 0.00 175.55 173.33 2yuv s VAL 80 N 1.79 4.63 -0.05 -3.49 0.11 -0.21 -2.74 120.40 120.44 2yuv s VAL 80 Ca -0.05 -0.46 0.06 0.00 -2.93 0.00 0.00 61.98 58.59 2yuv s VAL 80 Cb -0.11 -3.11 -0.01 0.00 -1.53 0.00 0.00 36.38 31.62 2yuv s VAL 80 CO -0.10 0.34 -0.24 0.42 -3.33 0.00 0.00 175.10 172.19 2yuv s THR 81 N -1.19 1.92 -0.21 5.04 -4.23 -0.98 -1.35 115.64 114.63 2yuv s THR 81 Ca 0.23 -1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.70 2yuv s THR 81 Cb -0.12 -1.62 0.11 0.00 1.34 0.00 0.00 72.50 72.21 2yuv s THR 81 CO 0.14 0.54 0.27 0.00 -0.54 0.00 0.00 174.62 175.03 2yuv s ALA 82 N -0.22 -0.55 0.00 3.99 0.00 -0.48 -2.60 121.76 121.89 2yuv s ALA 82 Ca -0.01 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2yuv s ALA 82 Cb -0.12 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.57 2yuv s ALA 82 CO 0.02 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 174.99 2yuv n GLY 83 N 5.34 1.62 0.14 0.00 0.00 -1.26 -2.75 105.19 108.28 2yuv n GLY 83 Ca -0.05 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 10.10 2.15 -3.91 1.61 8.00 -1.26 -5.04 116.55 128.20 2yuv n ASP 84 Ca 0.00 -3.07 -0.16 0.00 0.71 0.00 0.00 54.79 52.27 2yuv n ASP 84 Cb 0.00 -0.42 -0.09 0.00 -0.02 0.00 0.00 41.12 40.59 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 -2.71 1.47 0.18 -1.24 0.41 -1.11 -4.91 118.70 110.79 2yuv s GLU 85 Ca 0.30 -1.82 -0.24 0.00 -0.41 0.00 0.00 54.97 52.80 2yuv s GLU 85 Cb 0.27 0.16 0.05 0.00 -1.78 0.00 0.00 34.13 32.84 2yuv s GLU 85 CO 0.02 -0.48 0.86 -1.59 -0.49 0.00 0.00 175.26 173.58 2yuv s LYS 86 N -3.86 1.34 -0.13 1.61 0.00 -1.26 -1.39 119.74 116.06 2yuv s LYS 86 Ca 0.39 -0.71 -0.10 0.00 0.00 0.00 0.00 55.97 55.54 2yuv s LYS 86 Cb 0.05 0.48 0.04 0.00 0.00 0.00 0.00 37.83 38.40 2yuv s LYS 86 CO 0.18 -0.61 0.33 0.00 0.00 0.00 0.00 175.35 175.25 2yuv s SER 88 N 0.53 4.27 0.24 0.00 0.01 -1.26 -1.04 113.70 116.45 2yuv s SER 88 Ca -0.03 -0.67 -0.07 0.00 1.31 0.00 0.00 55.95 56.49 2yuv s SER 88 Cb -0.04 -0.71 -0.02 0.00 0.21 0.00 0.00 66.02 65.46 2yuv s SER 88 CO -0.03 0.05 0.34 0.28 0.41 0.00 0.00 173.24 174.29 2yuv s THR 89 N -2.07 0.00 -0.10 1.44 -1.32 0.88 -4.86 115.64 109.61 2yuv s THR 89 Ca 0.28 -1.66 0.03 0.00 -1.21 0.00 0.00 61.69 59.13 2yuv s THR 89 Cb -0.07 -2.35 0.01 0.00 -1.51 0.00 0.00 72.50 68.58 2yuv s THR 89 CO 0.17 0.00 -0.19 -1.61 -2.21 0.00 0.00 174.62 170.78 2yuv s GLU 90 N -4.01 2.61 -0.11 7.08 2.02 -1.26 -2.55 118.70 122.48 2yuv s GLU 90 Ca 0.30 -0.72 -0.11 0.00 0.02 0.00 0.00 54.97 54.46 2yuv s GLU 90 Cb 0.02 -2.07 -0.05 0.00 0.10 0.00 0.00 34.13 32.14 2yuv s GLU 90 CO 0.11 0.06 0.25 -1.17 0.02 0.00 0.00 175.26 174.53 2yuv s LEU 91 N 0.64 4.35 -0.40 1.80 1.98 -1.22 -0.26 118.68 125.58 2yuv s LEU 91 Ca -0.13 0.58 0.02 0.00 -2.89 0.00 0.00 54.13 51.71 2yuv s LEU 91 Cb -0.16 -2.29 0.12 0.00 0.66 0.00 0.00 46.19 44.52 2yuv s LEU 91 CO 0.03 0.28 0.19 -0.36 -1.89 0.00 0.00 176.35 174.60 2yuv s PHE 92 N -0.50 2.17 -0.46 5.38 0.08 -0.16 -4.33 117.98 120.16 2yuv s PHE 92 Ca 0.17 -2.36 -0.20 0.00 0.12 0.00 0.00 56.93 54.66 2yuv s PHE 92 Cb -0.13 -2.01 0.03 0.00 -0.57 0.00 0.00 43.02 40.34 2yuv s PHE 92 CO 0.06 -0.82 0.63 0.54 -0.10 0.00 0.00 175.22 175.53 2yuv s VAL 93 N 0.69 4.84 1.09 -0.44 0.11 -1.26 -2.24 120.40 123.18 2yuv s VAL 93 Ca 0.15 -0.09 -0.13 0.00 -2.93 0.00 0.00 61.98 58.97 2yuv s VAL 93 Cb -0.22 -4.23 0.24 0.00 -1.53 0.00 0.00 36.38 30.63 2yuv s VAL 93 CO -0.07 -0.67 1.07 -0.13 -3.33 0.00 0.00 175.10 171.97 2yuv s ARG 94 N 2.76 -0.28 -0.52 1.54 0.52 -0.52 -4.68 118.95 117.77 2yuv s ARG 94 Ca 0.20 0.55 0.01 0.00 -0.52 0.00 0.00 55.73 55.96 2yuv s ARG 94 Cb -0.16 -1.65 0.13 0.00 0.52 0.00 0.00 34.95 33.79 2yuv s ARG 94 CO 0.16 -3.22 0.29 -1.54 0.02 0.00 0.00 175.30 171.01 2yuv s SER 95 N -3.17 4.81 0.00 0.23 1.04 -1.26 -2.13 113.70 113.22 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 -0.20 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 64.18 2yuv s SER 95 CO 0.60 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.09 2yuv n GLY 96 N 3.58 4.49 3.56 7.32 0.00 -1.26 -4.98 105.19 117.90 2yuv n GLY 96 Ca 0.05 -1.10 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.61 2.55 -0.60 1.61 0.04 -1.26 -4.16 135.00 129.58 2yuv s PRO 97 Ca 0.00 -0.37 -0.30 0.00 0.04 0.00 0.00 61.00 60.36 2yuv s PRO 97 Cb 0.00 -5.08 -0.16 0.00 0.04 0.00 0.00 34.50 29.29 2yuv s PRO 97 CO 0.00 -3.43 1.94 0.45 0.04 0.00 0.00 177.00 176.01 2yuv n SER 98 N 13.99 0.42 -4.56 6.66 2.88 -1.26 -4.75 113.62 127.01 2yuv n SER 98 Ca 0.41 0.35 -0.38 0.00 -1.33 0.00 0.00 58.87 57.92 2yuv n SER 98 Cb 0.47 -0.73 -0.03 0.00 -0.75 0.00 0.00 64.21 63.16 2yuv n SER 98 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yuv s SER 99 N 6.01 6.00 0.00 -3.46 0.01 -1.26 -5.16 113.70 115.84 2yuv s SER 99 Ca 1.03 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 57.44 2yuv s SER 99 Cb -1.11 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 62.56 2yuv s SER 99 CO 0.46 -1.94 0.00 0.61 0.41 0.00 0.00 173.24 172.78