#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 1.44 -0.37 1.61 0.15 -1.26 -5.10 113.70 110.16 2yuv s SER 2 Ca 0.00 -0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.52 2yuv s SER 2 Cb 0.00 -0.55 0.11 0.00 -1.71 0.00 0.00 66.02 63.86 2yuv s SER 2 CO 0.00 -0.10 0.11 -0.55 1.20 0.00 0.00 173.24 173.91 2yuv s SER 3 N 1.34 4.45 0.00 5.45 0.15 -1.26 -5.05 113.70 118.78 2yuv s SER 3 Ca -0.04 -2.25 0.00 0.00 0.70 0.00 0.00 55.95 54.36 2yuv s SER 3 Cb -0.14 -1.43 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2yuv s SER 3 CO -0.03 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2yuv n GLY 4 N 4.10 2.57 0.44 9.45 0.00 -1.26 -4.93 105.19 115.57 2yuv n GLY 4 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.91 -0.03 1.61 7.64 -1.26 -4.98 113.62 117.51 2yuv n SER 5 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 2yuv n SER 5 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2yuv n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yuv n SER 6 N -2.03 0.86 -4.09 6.43 7.64 -1.26 -4.96 113.62 116.21 2yuv n SER 6 Ca 0.00 0.14 -0.33 0.00 1.01 0.00 0.00 58.87 59.69 2yuv n SER 6 Cb 0.15 -0.33 -0.14 0.00 -1.01 0.00 0.00 64.21 62.88 2yuv n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yuv s GLY 7 N -4.95 1.85 -0.30 0.23 0.00 -1.26 -5.03 107.32 97.86 2yuv s GLY 7 Ca -0.12 -2.21 -0.10 0.00 0.00 0.00 0.00 44.72 42.29 2yuv s GLY 7 CO 0.16 0.84 0.90 0.00 0.00 0.00 0.00 173.10 175.00 2yuv s ALA 8 N 1.08 -2.94 -0.03 3.20 0.00 -1.26 -4.88 121.76 116.93 2yuv s ALA 8 Ca 0.03 1.69 0.07 0.00 0.00 0.00 0.00 51.96 53.75 2yuv s ALA 8 Cb -0.20 -2.30 -0.11 0.00 0.00 0.00 0.00 23.12 20.50 2yuv s ALA 8 CO -0.05 -1.31 0.11 0.00 0.00 0.00 0.00 175.76 174.51 2yuv n ALA 9 N 5.37 2.11 -2.58 0.00 0.00 -1.26 -4.88 120.51 119.26 2yuv n ALA 9 Ca -0.06 -0.30 -0.39 0.00 0.00 0.00 0.00 53.44 52.70 2yuv n ALA 9 Cb 0.53 -0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 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 -2.40 3.22 0.14 0.00 0.08 -1.26 -1.20 117.98 116.56 2yuv s PHE 10 Ca -0.03 0.12 0.01 0.00 0.12 0.00 0.00 56.93 57.15 2yuv s PHE 10 Cb 0.04 -2.44 -0.08 0.00 -0.57 0.00 0.00 43.02 39.97 2yuv s PHE 10 CO 0.31 -0.21 1.32 0.00 -0.10 0.00 0.00 175.22 176.55 2yuv h ALA 11 N 8.36 0.42 -2.30 5.36 0.00 -1.84 -3.44 119.26 125.82 2yuv h ALA 11 Ca -0.34 -0.77 -0.26 0.00 0.00 0.00 0.00 54.91 53.55 2yuv h ALA 11 Cb 1.18 -0.06 -0.34 0.00 0.00 0.00 0.00 17.79 18.57 2yuv h ALA 11 CO 0.58 0.95 -0.58 0.21 0.00 0.00 0.00 179.25 180.41 2yuv s LYS 12 N -3.08 0.25 0.88 0.00 2.47 -1.26 -4.96 119.74 114.05 2yuv s LYS 12 Ca -0.03 0.31 -0.13 0.00 -1.56 0.00 0.00 55.97 54.56 2yuv s LYS 12 Cb 0.09 -0.95 0.13 0.00 -1.46 0.00 0.00 37.83 35.64 2yuv s LYS 12 CO 0.84 -0.66 1.19 0.96 0.16 0.00 0.00 175.35 177.84 2yuv s ILE 13 N 2.40 1.98 0.81 5.43 -4.36 -1.26 -2.81 121.20 123.40 2yuv s ILE 13 Ca 0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 60.65 60.36 2yuv s ILE 13 Cb -0.16 -2.91 0.09 0.00 1.25 0.00 0.00 42.46 40.73 2yuv s ILE 13 CO -0.14 0.00 1.18 -0.76 0.24 0.00 0.00 174.94 175.46 2yuv s LEU 14 N -5.81 2.55 0.79 0.37 1.02 -1.26 -4.96 118.68 111.38 2yuv s LEU 14 Ca 0.65 0.69 -0.11 0.00 0.02 0.00 0.00 54.13 55.39 2yuv s LEU 14 Cb -0.11 -3.15 0.07 0.00 0.02 0.00 0.00 46.19 43.02 2yuv s LEU 14 CO 0.51 -1.96 1.10 -1.81 0.02 0.00 0.00 176.35 174.22 2yuv s ASP 15 N -4.60 4.24 0.00 2.29 1.01 -1.26 -4.91 116.67 113.44 2yuv s ASP 15 Ca 0.63 1.90 0.14 0.00 0.71 0.00 0.00 52.55 55.93 2yuv s ASP 15 Cb -0.10 -2.53 0.61 0.00 1.01 0.00 0.00 42.92 41.91 2yuv s ASP 15 CO 0.49 -2.21 1.45 -0.81 0.21 0.00 0.00 175.17 174.29 2yuv n PRO 16 N -3.60 0.01 -3.62 8.23 -0.04 -1.26 -4.53 135.00 130.19 2yuv n PRO 16 Ca 0.10 0.25 -0.05 0.00 -0.04 0.00 0.00 63.50 63.75 2yuv n PRO 16 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.97 -2.06 0.28 0.55 0.00 -1.26 -4.01 121.76 112.29 2yuv s ALA 17 Ca 0.07 1.77 0.08 0.00 0.00 0.00 0.00 51.96 53.88 2yuv s ALA 17 Cb 0.09 -1.26 -0.06 0.00 0.00 0.00 0.00 23.12 21.90 2yuv s ALA 17 CO 0.26 -0.25 -0.08 0.71 0.00 0.00 0.00 175.76 176.39 2yuv s TYR 18 N -0.93 2.02 -0.16 0.00 1.51 0.26 -4.90 117.35 115.15 2yuv s TYR 18 Ca 0.05 -0.63 -0.08 0.00 -1.01 0.00 0.00 57.07 55.40 2yuv s TYR 18 Cb -0.01 -1.11 0.06 0.00 -0.11 0.00 0.00 41.96 40.79 2yuv s TYR 18 CO -0.05 0.37 0.37 -0.65 -1.11 0.00 0.00 175.55 174.47 2yuv s GLN 19 N -3.68 0.32 0.11 -0.62 -0.21 -1.26 -0.79 119.66 113.53 2yuv s GLN 19 Ca 0.29 0.77 -0.00 0.00 0.02 0.00 0.00 55.36 56.44 2yuv s GLN 19 Cb 0.02 0.01 -0.04 0.00 1.00 0.00 0.00 33.01 34.00 2yuv s GLN 19 CO 0.12 -0.19 0.01 0.54 -2.12 0.00 0.00 175.29 173.66 2yuv s VAL 20 N 1.66 0.29 0.23 1.09 0.11 -0.74 -4.97 120.40 118.07 2yuv s VAL 20 Ca -0.07 -1.90 -0.27 0.00 -2.93 0.00 0.00 61.98 56.81 2yuv s VAL 20 Cb -0.10 -1.88 -0.09 0.00 -1.53 0.00 0.00 36.38 32.79 2yuv s VAL 20 CO -0.12 -0.65 0.86 1.51 -3.33 0.00 0.00 175.10 173.38 2yuv s ASP 21 N -3.03 7.45 0.40 3.54 -4.77 -1.26 -1.89 116.67 117.10 2yuv s ASP 21 Ca 0.18 1.78 -0.17 0.00 -3.30 0.00 0.00 52.55 51.04 2yuv s ASP 21 Cb 0.07 -2.55 -0.13 0.00 -1.09 0.00 0.00 42.92 39.22 2yuv s ASP 21 CO -0.02 0.12 -0.03 1.17 0.70 0.00 0.00 175.17 177.12 2yuv n LYS 22 N 1.28 0.00 -2.61 2.11 4.81 -1.17 0.42 118.16 123.00 2yuv n LYS 22 Ca -0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.39 2yuv n LYS 22 Cb 0.49 -0.86 -0.01 0.00 0.02 0.00 0.00 35.03 34.67 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 2.10 -0.49 0.00 3.14 0.00 0.58 -4.79 105.19 105.74 2yuv n GLY 23 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 1.79 2.94 -0.02 0.00 0.17 -4.22 105.19 105.32 2yuv n GLY 24 Ca 0.01 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 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 4.09 0.11 0.53 1.61 3.52 -1.26 -1.64 118.95 125.92 2yuv s ARG 25 Ca 0.00 0.53 0.01 0.00 -0.13 0.00 0.00 55.73 56.14 2yuv s ARG 25 Cb 0.00 -0.17 0.03 0.00 -1.56 0.00 0.00 34.95 33.25 2yuv s ARG 25 CO 0.00 -0.23 0.76 0.14 -0.81 0.00 0.00 175.30 175.16 2yuv s VAL 26 N 1.76 2.96 -0.06 7.11 -7.23 -1.08 -4.90 120.40 118.97 2yuv s VAL 26 Ca -0.04 -0.61 0.02 0.00 -1.81 0.00 0.00 61.98 59.55 2yuv s VAL 26 Cb -0.12 -3.11 0.01 0.00 0.56 0.00 0.00 36.38 33.72 2yuv s VAL 26 CO -0.07 -0.08 -0.12 -0.60 -0.31 0.00 0.00 175.10 173.92 2yuv s ARG 27 N -4.73 1.61 -0.17 4.82 3.52 -1.26 -3.53 118.95 119.20 2yuv s ARG 27 Ca 0.55 -0.41 -0.05 0.00 -0.13 0.00 0.00 55.73 55.70 2yuv s ARG 27 Cb -0.10 -1.35 0.06 0.00 -1.56 0.00 0.00 34.95 32.00 2yuv s ARG 27 CO 0.39 0.05 0.08 -0.06 -0.81 0.00 0.00 175.30 174.95 2yuv s PHE 28 N 0.58 0.31 -0.06 5.12 0.08 -0.14 -4.99 117.98 118.89 2yuv s PHE 28 Ca -0.13 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.56 2yuv s PHE 28 Cb -0.15 -0.74 0.01 0.00 -0.57 0.00 0.00 43.02 41.57 2yuv s PHE 28 CO 0.03 -0.53 -0.14 0.54 -0.10 0.00 0.00 175.22 175.03 2yuv s VAL 29 N 2.10 1.21 0.09 -0.44 0.11 -1.26 0.14 120.40 122.34 2yuv s VAL 29 Ca 0.02 -0.55 0.05 0.00 -2.93 0.00 0.00 61.98 58.56 2yuv s VAL 29 Cb -0.16 -1.08 -0.03 0.00 -1.53 0.00 0.00 36.38 33.58 2yuv s VAL 29 CO -0.09 0.37 -0.13 0.68 -3.33 0.00 0.00 175.10 172.59 2yuv s VAL 30 N 0.41 1.11 0.24 2.04 -7.23 -0.37 -4.67 120.40 111.93 2yuv s VAL 30 Ca -0.10 -1.46 0.08 0.00 -1.81 0.00 0.00 61.98 58.69 2yuv s VAL 30 Cb -0.14 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 2yuv s VAL 30 CO 0.03 -0.34 0.10 -1.61 -0.31 0.00 0.00 175.10 172.97 2yuv s GLU 31 N -2.15 2.66 -0.08 4.82 2.02 -1.12 -1.37 118.70 123.47 2yuv s GLU 31 Ca 0.02 -1.17 0.00 0.00 0.02 0.00 0.00 54.97 53.84 2yuv s GLU 31 Cb -0.07 -2.41 0.02 0.00 0.10 0.00 0.00 34.13 31.76 2yuv s GLU 31 CO 0.02 0.40 -0.07 -0.51 0.02 0.00 0.00 175.26 175.12 2yuv s LEU 32 N -3.64 1.26 0.54 1.80 1.43 -1.02 -3.01 118.68 116.04 2yuv s LEU 32 Ca 0.32 -0.24 0.36 0.00 -1.03 0.00 0.00 54.13 53.53 2yuv s LEU 32 Cb -0.08 -0.70 1.53 0.00 0.03 0.00 0.00 46.19 46.97 2yuv s LEU 32 CO 0.22 -0.07 1.82 0.00 0.23 0.00 0.00 176.35 178.55 2yuv h ALA 33 N 7.66 3.06 -3.23 4.21 0.00 -1.47 -3.40 119.26 126.09 2yuv h ALA 33 Ca -0.30 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 2yuv h ALA 33 Cb 1.15 0.08 -0.26 0.00 0.00 0.00 0.00 17.79 18.77 2yuv h ALA 33 CO 0.42 -1.39 -0.50 0.34 0.00 0.00 0.00 179.25 178.12 2yuv s ASP 34 N -5.24 -0.18 0.44 0.00 2.15 -1.26 -5.03 116.67 107.55 2yuv s ASP 34 Ca -0.05 0.32 0.30 0.00 0.43 0.00 0.00 52.55 53.55 2yuv s ASP 34 Cb 0.23 0.37 1.25 0.00 -0.30 0.00 0.00 42.92 44.46 2yuv s ASP 34 CO 0.80 -0.09 1.89 1.55 -0.17 0.00 0.00 175.17 179.15 2yuv h PRO 35 N 5.70 0.00 -0.79 4.34 0.13 -1.86 -3.02 132.00 136.50 2yuv h PRO 35 Ca -0.26 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 2yuv h PRO 35 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2yuv h PRO 35 CO 0.39 0.00 0.30 0.87 -0.23 0.00 0.00 178.00 179.33 2yuv h LYS 36 N 0.00 1.19 -7.21 0.86 1.57 -1.96 -3.44 116.57 107.59 2yuv h LYS 36 Ca 0.00 -0.23 -0.53 0.00 -1.87 0.00 0.00 60.65 58.03 2yuv h LYS 36 Cb 0.44 -0.19 0.15 0.00 0.08 0.00 0.00 32.23 32.71 2yuv h LYS 36 CO 0.00 0.97 0.36 -0.51 -0.57 0.00 0.00 179.45 179.70 2yuv s LEU 37 N -9.69 3.23 0.15 2.94 1.43 -1.15 -5.04 118.68 110.56 2yuv s LEU 37 Ca -0.12 2.24 0.07 0.00 -1.03 0.00 0.00 54.13 55.28 2yuv s LEU 37 Cb 0.16 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 2yuv s LEU 37 CO 0.84 -2.29 -0.02 -0.70 0.23 0.00 0.00 176.35 174.41 2yuv s GLU 38 N -4.13 2.36 0.06 1.70 2.12 -1.26 -5.00 118.70 114.54 2yuv s GLU 38 Ca 0.71 -1.07 0.07 0.00 0.36 0.00 0.00 54.97 55.04 2yuv s GLU 38 Cb -0.26 -2.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.74 2yuv s GLU 38 CO 0.48 0.47 -0.17 0.14 -0.54 0.00 0.00 175.26 175.63 2yuv s VAL 39 N -1.59 2.85 -0.05 3.70 -7.23 -1.26 -3.96 120.40 112.86 2yuv s VAL 39 Ca 0.26 -1.25 -0.02 0.00 -1.81 0.00 0.00 61.98 59.16 2yuv s VAL 39 Cb -0.10 -2.23 0.03 0.00 0.56 0.00 0.00 36.38 34.64 2yuv s VAL 39 CO 0.18 0.27 0.09 -0.54 -0.31 0.00 0.00 175.10 174.79 2yuv s LYS 40 N -1.63 -0.02 -0.12 4.82 1.02 -0.94 -4.98 119.74 117.89 2yuv s LYS 40 Ca 0.16 0.38 -0.12 0.00 0.02 0.00 0.00 55.97 56.40 2yuv s LYS 40 Cb -0.11 -0.36 -0.05 0.00 -0.52 0.00 0.00 37.83 36.80 2yuv s LYS 40 CO 0.07 -0.27 0.27 -1.58 -0.92 0.00 0.00 175.35 172.92 2yuv s TRP 41 N 1.82 3.55 0.07 3.18 0.52 -1.26 -2.33 118.94 124.49 2yuv s TRP 41 Ca -0.00 0.64 0.04 0.00 0.02 0.00 0.00 56.10 56.80 2yuv s TRP 41 Cb -0.12 -2.22 -0.03 0.00 -1.15 0.00 0.00 33.47 29.94 2yuv s TRP 41 CO -0.04 0.44 -0.12 0.71 0.02 0.00 0.00 176.95 177.96 2yuv s TYR 42 N -0.22 1.09 -0.22 -1.98 1.51 -1.03 -2.00 117.35 114.51 2yuv s TYR 42 Ca 0.17 -0.51 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 2yuv s TYR 42 Cb -0.13 -0.61 0.07 0.00 -0.11 0.00 0.00 41.96 41.17 2yuv s TYR 42 CO 0.05 0.02 0.03 0.21 -1.11 0.00 0.00 175.55 174.76 2yuv s LYS 43 N -1.95 0.83 -1.22 -0.62 2.20 0.80 -2.83 119.74 116.95 2yuv s LYS 43 Ca -0.02 -0.62 -0.06 0.00 -0.36 0.00 0.00 55.97 54.91 2yuv s LYS 43 Cb -0.08 -2.17 0.01 0.00 -1.51 0.00 0.00 37.83 34.07 2yuv s LYS 43 CO 0.02 -0.69 1.06 0.09 -0.36 0.00 0.00 175.35 175.46 2yuv n ASN 44 N 4.96 -5.18 -1.62 1.43 3.02 -1.20 -2.54 115.26 114.14 2yuv n ASN 44 Ca -0.08 -0.51 -0.11 0.00 -0.03 0.00 0.00 54.58 53.85 2yuv n ASN 44 Cb 0.46 -4.69 0.02 0.00 -0.61 0.00 0.00 39.78 34.96 2yuv n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yuv n GLY 45 N -1.73 0.14 2.89 7.41 0.00 -1.26 -5.03 105.19 107.61 2yuv n GLY 45 Ca -0.05 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 -5.17 0.04 0.10 1.61 0.74 -1.05 -5.13 119.66 110.80 2yuv s GLN 46 Ca 0.17 0.16 -0.31 0.00 0.05 0.00 0.00 55.36 55.43 2yuv s GLN 46 Cb -0.07 -0.08 -0.08 0.00 1.10 0.00 0.00 33.01 33.88 2yuv s GLN 46 CO 0.21 -0.08 1.44 -2.00 -0.55 0.00 0.00 175.29 174.31 2yuv s GLU 47 N 0.51 4.29 -0.00 1.67 2.12 -1.26 -0.14 118.70 125.88 2yuv s GLU 47 Ca -0.04 2.13 -0.21 0.00 0.36 0.00 0.00 54.97 57.20 2yuv s GLU 47 Cb -0.06 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 2yuv s GLU 47 CO -0.02 -0.51 0.62 0.42 -0.54 0.00 0.00 175.26 175.23 2yuv s ILE 48 N 1.45 4.90 -0.01 -3.70 1.01 -0.85 -4.89 121.20 119.12 2yuv s ILE 48 Ca 0.66 1.30 -0.01 0.00 0.00 0.00 0.00 60.65 62.61 2yuv s ILE 48 Cb -0.37 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 2yuv s ILE 48 CO 0.30 0.40 0.09 0.00 0.00 0.00 0.00 174.94 175.73 2yuv s ARG 49 N -0.09 3.11 -0.19 2.79 1.70 -1.26 -4.86 118.95 120.15 2yuv s ARG 49 Ca 0.32 -0.46 -0.29 0.00 -0.47 0.00 0.00 55.73 54.83 2yuv s ARG 49 Cb -0.18 -2.89 -0.03 0.00 -0.57 0.00 0.00 34.95 31.28 2yuv s ARG 49 CO 0.18 0.65 1.59 -1.25 -1.08 0.00 0.00 175.30 175.39 2yuv s PRO 50 N -1.71 3.90 0.15 3.89 0.04 -1.26 -4.69 135.00 135.31 2yuv s PRO 50 Ca 0.23 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 62.86 2yuv s PRO 50 Cb -0.12 -4.00 0.02 0.00 0.04 0.00 0.00 34.50 30.44 2yuv s PRO 50 CO 0.14 -1.17 0.40 0.45 0.04 0.00 0.00 177.00 176.86 2yuv s SER 51 N 3.88 -0.17 0.40 6.66 0.15 -1.12 -4.96 113.70 118.53 2yuv s SER 51 Ca 0.70 -0.47 0.34 0.00 0.70 0.00 0.00 55.95 57.22 2yuv s SER 51 Cb -0.26 0.49 1.28 0.00 -1.71 0.00 0.00 66.02 65.82 2yuv s SER 51 CO 0.28 -0.91 1.21 0.35 1.20 0.00 0.00 173.24 175.37 2yuv n THR 52 N -0.25 -0.07 -0.03 6.45 -2.24 -1.26 0.23 114.28 117.11 2yuv n THR 52 Ca -0.13 1.25 -0.14 0.00 -2.27 0.00 0.00 64.05 62.76 2yuv n THR 52 Cb 0.63 -2.06 -0.10 0.00 -2.10 0.00 0.00 70.33 66.70 2yuv n THR 52 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2yuv h LYS 53 N 0.00 0.24 -4.79 -0.78 3.64 -1.93 -3.43 116.57 109.52 2yuv h LYS 53 Ca 0.71 -0.18 -0.67 0.00 -1.27 0.00 0.00 60.65 59.25 2yuv h LYS 53 Cb 2.67 0.03 -0.20 0.00 -0.41 0.00 0.00 32.23 34.32 2yuv h LYS 53 CO -0.14 0.81 -0.52 0.71 -2.27 0.00 0.00 179.45 178.03 2yuv s TYR 54 N -3.72 3.20 -0.52 1.91 2.02 0.63 -1.73 117.35 119.13 2yuv s TYR 54 Ca -0.15 -0.30 -0.17 0.00 -0.37 0.00 0.00 57.07 56.08 2yuv s TYR 54 Cb 0.03 -2.40 0.09 0.00 -0.40 0.00 0.00 41.96 39.28 2yuv s TYR 54 CO 0.74 -0.36 0.52 0.42 -1.57 0.00 0.00 175.55 175.30 2yuv s ILE 55 N 1.68 5.09 -0.33 2.71 -1.09 -0.20 -2.78 121.20 126.29 2yuv s ILE 55 Ca 0.06 -1.10 -0.20 0.00 -2.23 0.00 0.00 60.65 57.18 2yuv s ILE 55 Cb -0.17 -4.29 -0.01 0.00 -1.58 0.00 0.00 42.46 36.42 2yuv s ILE 55 CO 0.09 -0.81 0.59 -0.36 -1.23 0.00 0.00 174.94 173.22 2yuv s PHE 56 N 1.97 3.19 -0.16 3.97 0.08 -1.26 -2.55 117.98 123.22 2yuv s PHE 56 Ca 0.07 0.42 0.01 0.00 0.12 0.00 0.00 56.93 57.55 2yuv s PHE 56 Cb -0.25 -2.99 0.03 0.00 -0.57 0.00 0.00 43.02 39.23 2yuv s PHE 56 CO 0.06 -0.51 -0.14 -1.21 -0.10 0.00 0.00 175.22 173.32 2yuv s GLU 57 N 2.56 2.28 -0.21 0.44 0.41 -0.95 -5.00 118.70 118.23 2yuv s GLU 57 Ca 0.23 -0.65 -0.04 0.00 -0.41 0.00 0.00 54.97 54.10 2yuv s GLU 57 Cb -0.15 -2.22 -0.01 0.00 -1.78 0.00 0.00 34.13 29.97 2yuv s GLU 57 CO 0.13 -0.28 -0.04 -1.58 -0.49 0.00 0.00 175.26 172.99 2yuv s HIS 58 N 1.45 2.96 -0.38 1.61 5.65 -1.26 -0.84 115.29 124.48 2yuv s HIS 58 Ca 0.03 -0.78 0.01 0.00 0.25 0.00 0.00 55.06 54.58 2yuv s HIS 58 Cb -0.14 -2.07 0.12 0.00 -1.18 0.00 0.00 32.58 29.31 2yuv s HIS 58 CO -0.10 -0.43 0.18 0.15 -0.65 0.00 0.00 174.74 173.88 2yuv s LYS 59 N 1.23 1.02 3.34 2.88 1.02 -0.14 -5.00 119.74 124.09 2yuv s LYS 59 Ca 0.03 -1.60 0.00 0.00 0.02 0.00 0.00 55.97 54.42 2yuv s LYS 59 Cb -0.14 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 2yuv s LYS 59 CO -0.01 -1.09 0.00 0.41 -0.92 0.00 0.00 175.35 173.74 2yuv n GLY 60 N 4.11 0.78 1.85 -3.33 0.00 -1.26 -2.10 105.19 105.24 2yuv n GLY 60 Ca 0.05 0.46 -0.17 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 -3.50 0.06 -0.20 0.00 0.74 -0.89 -2.45 119.66 113.42 2yuv s GLN 62 Ca 0.47 0.47 -0.01 0.00 0.05 0.00 0.00 55.36 56.34 2yuv s GLN 62 Cb 0.40 -0.23 0.01 0.00 1.10 0.00 0.00 33.01 34.29 2yuv s GLN 62 CO 0.01 -0.24 -0.13 1.03 -0.55 0.00 0.00 175.29 175.42 2yuv s ARG 63 N 1.74 3.09 0.21 1.67 1.81 -0.47 -0.97 118.95 126.04 2yuv s ARG 63 Ca -0.03 -0.79 0.07 0.00 -1.72 0.00 0.00 55.73 53.26 2yuv s ARG 63 Cb -0.12 -2.78 -0.04 0.00 -0.45 0.00 0.00 34.95 31.56 2yuv s ARG 63 CO -0.06 -0.24 0.14 0.42 -0.68 0.00 0.00 175.30 174.88 2yuv s ILE 64 N 1.36 4.31 -0.13 1.52 1.09 -0.02 -1.24 121.20 128.08 2yuv s ILE 64 Ca 0.04 -1.33 -0.07 0.00 -1.10 0.00 0.00 60.65 58.20 2yuv s ILE 64 Cb -0.14 -3.26 0.05 0.00 -1.06 0.00 0.00 42.46 38.05 2yuv s ILE 64 CO -0.08 -0.24 0.31 -0.22 -0.10 0.00 0.00 174.94 174.61 2yuv s LEU 65 N -3.47 0.13 -0.08 2.97 1.98 0.36 -2.24 118.68 118.33 2yuv s LEU 65 Ca 0.31 0.68 0.04 0.00 -2.89 0.00 0.00 54.13 52.27 2yuv s LEU 65 Cb -0.09 0.97 -0.00 0.00 0.66 0.00 0.00 46.19 47.73 2yuv s LEU 65 CO 0.23 -0.18 -0.21 -0.36 -1.89 0.00 0.00 176.35 173.94 2yuv s PHE 66 N 1.47 2.22 -0.25 5.38 0.08 -1.06 -0.97 117.98 124.86 2yuv s PHE 66 Ca -0.08 -0.81 -0.03 0.00 0.12 0.00 0.00 56.93 56.13 2yuv s PHE 66 Cb -0.10 -1.50 0.02 0.00 -0.57 0.00 0.00 43.02 40.87 2yuv s PHE 66 CO -0.10 -0.32 -0.03 0.42 -0.10 0.00 0.00 175.22 175.09 2yuv s ILE 67 N 0.25 3.13 0.53 0.64 1.01 -1.23 -1.03 121.20 124.50 2yuv s ILE 67 Ca -0.13 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 2yuv s ILE 67 Cb -0.16 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 2yuv s ILE 67 CO 0.06 0.22 0.83 0.20 0.00 0.00 0.00 174.94 176.24 2yuv s ASN 68 N 1.38 5.93 -1.17 3.58 0.01 -0.71 -2.64 114.94 121.33 2yuv s ASN 68 Ca 0.02 0.78 -0.04 0.00 -0.71 0.00 0.00 52.86 52.91 2yuv s ASN 68 Cb -0.16 -1.95 -0.02 0.00 0.41 0.00 0.00 41.25 39.52 2yuv s ASN 68 CO -0.03 -0.80 0.87 0.59 -1.51 0.00 0.00 177.10 176.22 2yuv n ASN 69 N -2.39 -3.61 -4.55 -1.22 4.13 -0.65 -4.86 115.26 102.11 2yuv n ASN 69 Ca 0.02 -0.74 -0.38 0.00 1.68 0.00 0.00 54.58 55.15 2yuv n ASN 69 Cb 0.56 -4.68 -0.03 0.00 -1.54 0.00 0.00 39.78 34.09 2yuv n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yuv s GLN 71 N 6.99 2.39 0.16 0.00 2.00 -1.26 0.22 119.66 130.16 2yuv s GLN 71 Ca 0.66 -1.65 -0.29 0.00 -2.00 0.00 0.00 55.36 52.08 2yuv s GLN 71 Cb -0.12 -2.19 -0.03 0.00 0.80 0.00 0.00 33.01 31.46 2yuv s GLN 71 CO 0.20 -0.10 1.55 1.98 -0.50 0.00 0.00 175.29 178.42 2yuv h MET 72 N 1.29 -0.12 -1.10 1.67 4.05 -1.84 0.98 114.93 119.85 2yuv h MET 72 Ca -0.42 0.01 0.32 0.00 -0.28 0.00 0.00 59.70 59.32 2yuv h MET 72 Cb 1.26 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 32.04 2yuv h MET 72 CO 0.63 -0.08 0.81 1.79 0.23 0.00 0.00 176.91 180.29 2yuv h THR 73 N -0.13 0.42 -0.63 -0.77 1.35 -1.96 0.24 112.91 111.44 2yuv h THR 73 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 2yuv h THR 73 Cb 0.50 0.44 -0.03 0.00 -1.73 0.00 0.00 68.15 67.32 2yuv h THR 73 CO -0.83 0.00 0.40 -0.78 -0.25 0.00 0.00 175.52 174.06 2yuv h ASP 74 N 0.00 0.74 -0.13 5.36 3.58 0.65 -3.39 116.42 123.22 2yuv h ASP 74 Ca 0.52 -0.04 -0.20 0.00 0.42 0.00 0.00 57.03 57.73 2yuv h ASP 74 Cb 2.13 -0.19 -0.07 0.00 1.72 0.00 0.00 39.33 42.93 2yuv h ASP 74 CO -0.01 0.56 1.19 -0.67 -2.88 0.00 0.00 179.24 177.43 2yuv n ASP 75 N -4.62 -0.20 -4.14 2.28 2.03 0.83 -4.81 116.55 107.92 2yuv n ASP 75 Ca 0.05 -0.99 -0.17 0.00 0.52 0.00 0.00 54.79 54.20 2yuv n ASP 75 Cb 0.04 -0.99 -0.10 0.00 -0.72 0.00 0.00 41.12 39.35 2yuv n ASP 75 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2yuv s SER 76 N 4.28 1.20 -0.49 1.67 1.04 -1.26 -4.95 113.70 115.18 2yuv s SER 76 Ca 1.11 -1.47 -0.20 0.00 0.48 0.00 0.00 55.95 55.87 2yuv s SER 76 Cb -0.53 0.30 0.05 0.00 0.10 0.00 0.00 66.02 65.94 2yuv s SER 76 CO 0.36 -0.82 0.68 -0.70 0.98 0.00 0.00 173.24 173.74 2yuv s GLU 77 N -3.95 3.20 0.08 4.02 2.12 -1.26 -3.34 118.70 119.57 2yuv s GLU 77 Ca 0.37 -0.64 -0.09 0.00 0.36 0.00 0.00 54.97 54.98 2yuv s GLU 77 Cb 0.06 -4.05 -0.06 0.00 0.26 0.00 0.00 34.13 30.35 2yuv s GLU 77 CO 0.15 -1.21 0.38 0.71 -0.54 0.00 0.00 175.26 174.76 2yuv s TYR 78 N 2.91 3.57 -0.11 5.30 1.51 -0.94 -3.20 117.35 126.38 2yuv s TYR 78 Ca 0.20 0.73 -0.08 0.00 -1.01 0.00 0.00 57.07 56.91 2yuv s TYR 78 Cb -0.17 -2.12 0.04 0.00 -0.11 0.00 0.00 41.96 39.60 2yuv s TYR 78 CO 0.15 0.51 0.29 1.52 -1.11 0.00 0.00 175.55 176.91 2yuv s TYR 79 N -1.43 -0.36 -0.06 2.71 1.13 -1.13 -0.19 117.35 118.03 2yuv s TYR 79 Ca 0.34 0.84 0.03 0.00 -1.41 0.00 0.00 57.07 56.87 2yuv s TYR 79 Cb -0.14 0.11 -0.03 0.00 -1.10 0.00 0.00 41.96 40.81 2yuv s TYR 79 CO 0.19 -0.21 -0.12 0.54 -2.51 0.00 0.00 175.55 173.44 2yuv s VAL 80 N 0.73 3.22 -0.01 -3.49 0.11 -0.63 -2.47 120.40 117.86 2yuv s VAL 80 Ca -0.05 -0.66 0.07 0.00 -2.93 0.00 0.00 61.98 58.41 2yuv s VAL 80 Cb -0.06 -2.28 -0.02 0.00 -1.53 0.00 0.00 36.38 32.49 2yuv s VAL 80 CO -0.05 0.59 -0.22 0.42 -3.33 0.00 0.00 175.10 172.51 2yuv s THR 81 N -0.71 2.40 -0.24 5.04 -4.23 -0.98 -1.36 115.64 115.57 2yuv s THR 81 Ca 0.11 -1.07 -0.03 0.00 -1.18 0.00 0.00 61.69 59.52 2yuv s THR 81 Cb -0.11 -1.90 0.13 0.00 1.34 0.00 0.00 72.50 71.96 2yuv s THR 81 CO 0.01 0.52 0.39 0.00 -0.54 0.00 0.00 174.62 174.99 2yuv s ALA 82 N -0.71 -1.12 0.00 3.99 0.00 -0.04 -2.20 121.76 121.68 2yuv s ALA 82 Ca 0.11 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2yuv s ALA 82 Cb -0.10 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.39 2yuv s ALA 82 CO 0.01 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 174.99 2yuv n GLY 83 N 5.37 1.64 0.00 0.00 0.00 -1.25 -2.68 105.19 108.27 2yuv n GLY 83 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2yuv n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2yuv n ASP 84 N 9.79 1.82 -4.29 1.61 5.75 -1.26 -5.04 116.55 124.93 2yuv n ASP 84 Ca 0.00 -1.86 -0.19 0.00 -0.01 0.00 0.00 54.79 52.74 2yuv n ASP 84 Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 2yuv n ASP 84 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2yuv s GLU 85 N -0.86 1.17 -0.00 0.11 0.41 -1.09 -5.03 118.70 113.41 2yuv s GLU 85 Ca 0.00 -1.40 -0.23 0.00 -0.41 0.00 0.00 54.97 52.93 2yuv s GLU 85 Cb 0.00 -1.04 0.05 0.00 -1.78 0.00 0.00 34.13 31.36 2yuv s GLU 85 CO 0.00 0.19 0.52 -1.59 -0.49 0.00 0.00 175.26 173.89 2yuv s LYS 86 N -3.07 0.95 0.35 1.61 -2.85 -1.26 -0.86 119.74 114.59 2yuv s LYS 86 Ca 0.15 -0.05 0.03 0.00 -1.00 0.00 0.00 55.97 55.10 2yuv s LYS 86 Cb -0.03 0.44 -0.05 0.00 -2.06 0.00 0.00 37.83 36.13 2yuv s LYS 86 CO 0.05 -0.31 0.09 0.00 0.10 0.00 0.00 175.35 175.28 2yuv s SER 88 N -3.50 0.04 0.10 0.00 1.04 -1.26 -1.61 113.70 108.51 2yuv s SER 88 Ca 0.32 -0.32 -0.04 0.00 0.48 0.00 0.00 55.95 56.39 2yuv s SER 88 Cb 0.06 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 2yuv s SER 88 CO 0.15 -0.49 0.10 0.28 0.98 0.00 0.00 173.24 174.26 2yuv s THR 89 N -2.14 0.14 -0.04 2.02 -1.32 0.73 -4.87 115.64 110.16 2yuv s THR 89 Ca -0.08 -1.62 0.02 0.00 -1.21 0.00 0.00 61.69 58.79 2yuv s THR 89 Cb -0.03 -1.69 -0.03 0.00 -1.51 0.00 0.00 72.50 69.24 2yuv s THR 89 CO -0.02 -0.65 -0.07 -0.70 -2.21 0.00 0.00 174.62 170.97 2yuv s GLU 90 N -3.95 2.66 -0.18 7.08 -6.30 -1.26 -2.22 118.70 114.53 2yuv s GLU 90 Ca 0.13 -0.62 -0.01 0.00 -2.50 0.00 0.00 54.97 51.97 2yuv s GLU 90 Cb 0.06 -2.54 -0.00 0.00 0.00 0.00 0.00 34.13 31.65 2yuv s GLU 90 CO -0.05 0.64 -0.13 -1.17 0.02 0.00 0.00 175.26 174.57 2yuv s LEU 91 N -1.04 2.55 -0.47 2.70 1.98 -1.21 0.88 118.68 124.08 2yuv s LEU 91 Ca 0.14 -0.47 -0.02 0.00 -2.89 0.00 0.00 54.13 50.89 2yuv s LEU 91 Cb -0.11 -1.60 0.12 0.00 0.66 0.00 0.00 46.19 45.26 2yuv s LEU 91 CO 0.04 0.04 0.26 -0.36 -1.89 0.00 0.00 176.35 174.44 2yuv s PHE 92 N 1.08 3.53 -0.36 5.38 0.08 0.03 -4.14 117.98 123.58 2yuv s PHE 92 Ca -0.00 -2.59 -0.15 0.00 0.12 0.00 0.00 56.93 54.32 2yuv s PHE 92 Cb -0.14 -3.18 -0.01 0.00 -0.57 0.00 0.00 43.02 39.12 2yuv s PHE 92 CO -0.03 -0.92 0.33 0.54 -0.10 0.00 0.00 175.22 175.03 2yuv s VAL 93 N 0.72 5.20 0.86 -0.44 0.11 -1.26 -1.79 120.40 123.81 2yuv s VAL 93 Ca 0.11 -0.16 -0.12 0.00 -2.93 0.00 0.00 61.98 58.88 2yuv s VAL 93 Cb -0.22 -3.83 0.09 0.00 -1.53 0.00 0.00 36.38 30.88 2yuv s VAL 93 CO -0.04 -0.14 1.00 0.54 -3.33 0.00 0.00 175.10 173.13 2yuv n ARG 94 N 5.31 -0.10 -0.04 1.54 1.74 -0.79 -4.60 116.66 119.71 2yuv n ARG 94 Ca -0.10 0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 56.92 2yuv n ARG 94 Cb 0.49 -2.28 -0.03 0.00 -1.02 0.00 0.00 32.46 29.62 2yuv n ARG 94 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2yuv n SER 95 N -3.05 0.75 -4.32 0.55 3.41 -1.26 -3.02 113.62 106.69 2yuv n SER 95 Ca 0.12 0.13 -0.43 0.00 -0.26 0.00 0.00 58.87 58.43 2yuv n SER 95 Cb 0.51 -0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 64.15 2yuv n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yuv n GLY 96 N 2.44 -2.58 3.68 5.00 0.00 -1.26 -4.82 105.19 107.65 2yuv n GLY 96 Ca -0.18 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.02 4.25 0.22 1.61 0.04 -1.26 -4.78 135.00 134.06 2yuv s PRO 97 Ca 0.60 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.67 2yuv s PRO 97 Cb -0.67 -3.67 -0.05 0.00 0.04 0.00 0.00 34.50 30.15 2yuv s PRO 97 CO 0.62 -0.66 0.07 -1.12 0.04 0.00 0.00 177.00 175.95 2yuv s SER 98 N 2.22 1.04 0.10 6.66 0.01 -1.26 -5.11 113.70 117.37 2yuv s SER 98 Ca 0.66 -1.31 -0.33 0.00 1.31 0.00 0.00 55.95 56.28 2yuv s SER 98 Cb -0.32 0.18 -0.12 0.00 0.21 0.00 0.00 66.02 65.97 2yuv s SER 98 CO 0.26 -0.69 1.75 -1.20 0.41 0.00 0.00 173.24 173.77 2yuv n SER 99 N -0.35 3.61 0.00 2.44 7.64 -1.26 -5.07 113.62 120.63 2yuv n SER 99 Ca -0.02 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.88 2yuv n SER 99 Cb 0.65 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2yuv n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64