#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuv n SER 2 N 0.00 1.06 -3.90 1.61 2.88 -1.26 -5.02 113.62 108.98 2yuv n SER 2 Ca 0.00 0.14 -0.29 0.00 -1.33 0.00 0.00 58.87 57.39 2yuv n SER 2 Cb 0.00 -0.32 -0.16 0.00 -0.75 0.00 0.00 64.21 62.98 2yuv n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yuv s SER 3 N -5.94 3.33 -0.50 -3.46 0.15 -1.26 -4.92 113.70 101.10 2yuv s SER 3 Ca 0.00 -0.93 -0.34 0.00 0.70 0.00 0.00 55.95 55.39 2yuv s SER 3 Cb 0.00 -1.01 0.05 0.00 -1.71 0.00 0.00 66.02 63.35 2yuv s SER 3 CO 0.00 -0.22 0.65 0.61 1.20 0.00 0.00 173.24 175.48 2yuv n GLY 4 N 4.80 -0.02 0.10 9.45 0.00 -1.26 -4.92 105.19 113.34 2yuv n GLY 4 Ca -0.12 1.07 -0.20 0.00 0.00 0.00 0.00 46.02 46.78 2yuv n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2yuv h SER 5 N 1.73 0.10 -3.63 1.61 0.87 -1.95 -3.47 113.55 108.80 2yuv h SER 5 Ca -0.58 -0.71 -0.50 0.00 -1.23 0.00 0.00 61.79 58.77 2yuv h SER 5 Cb 1.40 -0.03 0.02 0.00 -0.44 0.00 0.00 62.40 63.35 2yuv h SER 5 CO 0.25 1.42 0.11 -0.44 -0.53 0.00 0.00 176.83 177.64 2yuv s SER 6 N -6.76 6.38 -0.00 6.23 0.01 -1.26 -5.03 113.70 113.27 2yuv s SER 6 Ca -0.24 1.02 -0.00 0.00 1.31 0.00 0.00 55.95 58.03 2yuv s SER 6 Cb 0.04 -2.28 -0.00 0.00 0.21 0.00 0.00 66.02 63.98 2yuv s SER 6 CO 0.66 -0.49 -0.00 0.61 0.41 0.00 0.00 173.24 174.42 2yuv n GLY 7 N -1.81 -0.00 2.85 3.44 0.00 -1.26 -5.05 105.19 103.36 2yuv n GLY 7 Ca 0.01 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 2yuv n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yuv n ALA 8 N -3.01 -0.84 0.12 4.61 0.00 -1.26 -4.90 120.51 115.24 2yuv n ALA 8 Ca -0.00 0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.80 2yuv n ALA 8 Cb 0.50 -3.70 0.60 0.00 0.00 0.00 0.00 19.45 16.85 2yuv n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuv h ALA 9 N 0.67 2.05 -2.33 0.00 0.00 -1.95 -3.38 119.26 114.32 2yuv h ALA 9 Ca -0.37 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 53.84 2yuv h ALA 9 Cb 1.24 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.82 2yuv h ALA 9 CO 0.37 -0.09 -0.15 -0.06 0.00 0.00 0.00 179.25 179.32 2yuv s PHE 10 N -5.17 3.15 0.37 0.00 0.08 -1.26 -1.31 117.98 113.84 2yuv s PHE 10 Ca -0.06 -0.35 0.10 0.00 0.12 0.00 0.00 56.93 56.74 2yuv s PHE 10 Cb 0.18 -3.00 0.72 0.00 -0.57 0.00 0.00 43.02 40.35 2yuv s PHE 10 CO 0.70 -0.75 1.86 0.00 -0.10 0.00 0.00 175.22 176.93 2yuv h ALA 11 N 8.77 1.41 -2.04 5.36 0.00 -1.59 -3.41 119.26 127.76 2yuv h ALA 11 Ca -0.26 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.16 2yuv h ALA 11 Cb 1.11 -0.07 -0.31 0.00 0.00 0.00 0.00 17.79 18.51 2yuv h ALA 11 CO 0.82 0.42 -0.54 0.21 0.00 0.00 0.00 179.25 180.16 2yuv s LYS 12 N -4.46 0.32 0.45 0.00 2.20 -1.23 -4.96 119.74 112.05 2yuv s LYS 12 Ca -0.04 0.34 -0.21 0.00 -0.36 0.00 0.00 55.97 55.69 2yuv s LYS 12 Cb 0.15 -0.64 -0.10 0.00 -1.51 0.00 0.00 37.83 35.73 2yuv s LYS 12 CO 0.73 -0.73 1.00 0.96 -0.36 0.00 0.00 175.35 176.95 2yuv s ILE 13 N 2.48 4.06 0.43 5.43 -5.25 -1.26 -3.04 121.20 124.04 2yuv s ILE 13 Ca 0.11 1.33 -0.23 0.00 -0.99 0.00 0.00 60.65 60.87 2yuv s ILE 13 Cb -0.15 -3.56 -0.11 0.00 2.95 0.00 0.00 42.46 41.59 2yuv s ILE 13 CO -0.19 -0.23 0.71 0.18 -1.79 0.00 0.00 174.94 173.62 2yuv n LEU 14 N -0.67 0.99 -4.19 0.37 4.32 -1.26 -4.87 117.00 111.69 2yuv n LEU 14 Ca 0.08 0.94 -0.35 0.00 -0.02 0.00 0.00 56.01 56.66 2yuv n LEU 14 Cb 0.53 -1.20 0.08 0.00 -1.62 0.00 0.00 43.42 41.20 2yuv n LEU 14 CO 0.39 -2.40 -0.77 0.47 -1.22 0.00 0.00 177.39 173.86 2yuv n ASP 15 N 0.92 -4.23 0.17 -1.43 9.92 -1.26 -4.81 116.55 115.82 2yuv n ASP 15 Ca 0.11 0.26 0.13 0.00 -0.53 0.00 0.00 54.79 54.76 2yuv n ASP 15 Cb 0.40 -0.96 0.55 0.00 -0.64 0.00 0.00 41.12 40.46 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 -1.23 0.00 -1.29 -0.24 0.13 -1.89 -3.42 132.00 124.06 2yuv h PRO 16 Ca -0.44 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.85 2yuv h PRO 16 Cb 1.29 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.12 2yuv h PRO 16 CO 0.28 0.00 0.61 0.00 -0.23 0.00 0.00 178.00 178.67 2yuv s ALA 17 N -3.42 -2.37 0.22 -0.56 0.00 -1.26 -4.02 121.76 110.35 2yuv s ALA 17 Ca 0.03 1.99 0.07 0.00 0.00 0.00 0.00 51.96 54.05 2yuv s ALA 17 Cb 0.09 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 2yuv s ALA 17 CO 0.43 -0.28 0.12 0.71 0.00 0.00 0.00 175.76 176.74 2yuv s TYR 18 N 0.85 3.02 -0.07 0.00 1.51 0.62 -4.95 117.35 118.33 2yuv s TYR 18 Ca -0.04 -0.10 -0.03 0.00 -1.01 0.00 0.00 57.07 55.89 2yuv s TYR 18 Cb -0.04 -1.40 0.04 0.00 -0.11 0.00 0.00 41.96 40.46 2yuv s TYR 18 CO -0.12 0.53 0.14 -0.65 -1.11 0.00 0.00 175.55 174.34 2yuv s GLN 19 N -3.47 0.06 0.09 -0.62 -0.21 -1.26 -0.98 119.66 113.27 2yuv s GLN 19 Ca 0.31 0.43 -0.04 0.00 0.02 0.00 0.00 55.36 56.08 2yuv s GLN 19 Cb -0.08 -0.23 -0.02 0.00 1.00 0.00 0.00 33.01 33.67 2yuv s GLN 19 CO 0.23 -0.22 0.09 0.54 -2.12 0.00 0.00 175.29 173.81 2yuv s VAL 20 N 1.61 0.16 0.45 1.09 0.11 -0.99 -5.00 120.40 117.83 2yuv s VAL 20 Ca -0.04 -1.58 -0.20 0.00 -2.93 0.00 0.00 61.98 57.23 2yuv s VAL 20 Cb -0.12 -1.59 -0.10 0.00 -1.53 0.00 0.00 36.38 33.04 2yuv s VAL 20 CO -0.06 -0.71 0.97 -0.62 -3.33 0.00 0.00 175.10 171.35 2yuv s ASP 21 N -2.93 6.81 0.82 3.54 2.15 -1.26 -1.04 116.67 124.76 2yuv s ASP 21 Ca 0.10 1.70 -0.16 0.00 0.43 0.00 0.00 52.55 54.63 2yuv s ASP 21 Cb 0.06 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 40.08 2yuv s ASP 21 CO -0.07 -0.45 0.08 1.17 -0.17 0.00 0.00 175.17 175.73 2yuv n LYS 22 N -0.84 0.04 -3.47 4.34 4.81 -1.11 -1.52 118.16 120.41 2yuv n LYS 22 Ca 0.07 0.04 -0.27 0.00 -0.87 0.00 0.00 58.31 57.28 2yuv n LYS 22 Cb 0.54 -1.52 -0.05 0.00 0.02 0.00 0.00 35.03 34.01 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 2.18 -0.29 0.00 3.14 0.00 0.58 -4.80 105.19 106.01 2yuv n GLY 23 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.84 3.13 2.84 -0.02 0.00 -0.57 -4.50 105.19 105.23 2yuv n GLY 24 Ca 0.08 -1.81 -0.15 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 3.77 0.02 0.47 1.61 3.52 -1.26 -1.30 118.95 125.78 2yuv s ARG 25 Ca 0.00 0.33 0.04 0.00 -0.13 0.00 0.00 55.73 55.98 2yuv s ARG 25 Cb 0.00 -0.25 0.02 0.00 -1.56 0.00 0.00 34.95 33.16 2yuv s ARG 25 CO 0.00 -0.20 0.65 0.14 -0.81 0.00 0.00 175.30 175.08 2yuv s VAL 26 N 1.37 3.09 -0.21 7.11 -7.23 -1.12 -4.92 120.40 118.50 2yuv s VAL 26 Ca -0.06 -0.82 -0.04 0.00 -1.81 0.00 0.00 61.98 59.26 2yuv s VAL 26 Cb -0.12 -3.09 0.07 0.00 0.56 0.00 0.00 36.38 33.79 2yuv s VAL 26 CO -0.05 -0.05 0.07 -0.60 -0.31 0.00 0.00 175.10 174.16 2yuv s ARG 27 N -4.51 0.41 -0.32 4.82 3.52 -1.26 -3.52 118.95 118.07 2yuv s ARG 27 Ca 0.54 -0.37 -0.08 0.00 -0.13 0.00 0.00 55.73 55.69 2yuv s ARG 27 Cb -0.10 -1.90 0.02 0.00 -1.56 0.00 0.00 34.95 31.41 2yuv s ARG 27 CO 0.35 -0.72 0.12 -0.06 -0.81 0.00 0.00 175.30 174.18 2yuv s PHE 28 N 1.96 3.20 -0.02 5.12 0.08 0.16 -4.96 117.98 123.52 2yuv s PHE 28 Ca 0.02 -1.08 0.03 0.00 0.12 0.00 0.00 56.93 56.02 2yuv s PHE 28 Cb -0.17 -2.30 -0.03 0.00 -0.57 0.00 0.00 43.02 39.95 2yuv s PHE 28 CO -0.13 -0.63 -0.10 0.08 -0.10 0.00 0.00 175.22 174.34 2yuv s VAL 29 N 1.49 3.41 -0.08 -0.44 1.01 -1.26 -0.27 120.40 124.25 2yuv s VAL 29 Ca 0.01 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 2yuv s VAL 29 Cb -0.18 -2.43 0.03 0.00 0.00 0.00 0.00 36.38 33.80 2yuv s VAL 29 CO 0.04 0.47 0.21 0.68 0.00 0.00 0.00 175.10 176.50 2yuv s VAL 30 N -0.89 -0.02 -0.00 2.92 -7.23 -0.91 -4.41 120.40 109.85 2yuv s VAL 30 Ca 0.15 0.07 -0.02 0.00 -1.81 0.00 0.00 61.98 60.37 2yuv s VAL 30 Cb -0.11 -0.31 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 2yuv s VAL 30 CO 0.04 0.03 0.14 -1.61 -0.31 0.00 0.00 175.10 173.39 2yuv s GLU 31 N 0.60 3.28 -0.17 4.82 2.02 -1.17 -1.55 118.70 126.53 2yuv s GLU 31 Ca -0.04 -0.40 0.01 0.00 0.02 0.00 0.00 54.97 54.57 2yuv s GLU 31 Cb -0.05 -2.99 0.02 0.00 0.10 0.00 0.00 34.13 31.20 2yuv s GLU 31 CO -0.03 0.66 -0.20 -0.51 0.02 0.00 0.00 175.26 175.20 2yuv s LEU 32 N -1.87 2.09 0.44 1.80 1.43 -0.72 -2.06 118.68 119.80 2yuv s LEU 32 Ca 0.26 -0.62 0.30 0.00 -1.03 0.00 0.00 54.13 53.03 2yuv s LEU 32 Cb -0.12 -1.44 1.40 0.00 0.03 0.00 0.00 46.19 46.06 2yuv s LEU 32 CO 0.17 0.02 1.65 0.00 0.23 0.00 0.00 176.35 178.42 2yuv h ALA 33 N 7.76 2.75 -3.18 4.21 0.00 -1.47 -3.40 119.26 125.94 2yuv h ALA 33 Ca -0.41 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 2yuv h ALA 33 Cb 1.15 0.17 -0.24 0.00 0.00 0.00 0.00 17.79 18.87 2yuv h ALA 33 CO 0.61 -1.33 -0.55 -0.51 0.00 0.00 0.00 179.25 177.46 2yuv s ASP 34 N -4.60 -0.05 0.42 0.00 1.01 -1.26 -5.04 116.67 107.14 2yuv s ASP 34 Ca -0.07 0.05 0.21 0.00 0.71 0.00 0.00 52.55 53.45 2yuv s ASP 34 Cb 0.29 0.23 0.90 0.00 1.01 0.00 0.00 42.92 45.35 2yuv s ASP 34 CO 0.82 -0.17 1.84 1.55 0.21 0.00 0.00 175.17 179.42 2yuv h PRO 35 N 5.32 0.00 -0.75 8.23 0.13 -1.96 -3.13 132.00 139.84 2yuv h PRO 35 Ca -0.27 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.96 2yuv h PRO 35 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 2yuv h PRO 35 CO 0.42 0.29 0.38 0.87 -0.23 0.00 0.00 178.00 179.73 2yuv h LYS 36 N 0.00 0.60 -7.03 0.86 1.57 -1.96 -3.42 116.57 107.20 2yuv h LYS 36 Ca -0.00 -0.04 -0.54 0.00 -1.87 0.00 0.00 60.65 58.20 2yuv h LYS 36 Cb 0.71 -0.14 0.12 0.00 0.08 0.00 0.00 32.23 33.00 2yuv h LYS 36 CO 0.04 0.40 0.59 -0.51 -0.57 0.00 0.00 179.45 179.40 2yuv s LEU 37 N -10.33 3.92 0.25 2.94 1.43 -1.18 -5.02 118.68 110.69 2yuv s LEU 37 Ca -0.12 2.67 0.01 0.00 -1.03 0.00 0.00 54.13 55.65 2yuv s LEU 37 Cb 0.19 -4.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.15 2yuv s LEU 37 CO 0.77 -1.36 0.44 -0.70 0.23 0.00 0.00 176.35 175.72 2yuv s GLU 38 N -2.79 3.50 -0.00 1.70 2.56 -1.26 -4.99 118.70 117.41 2yuv s GLU 38 Ca 0.68 -0.41 0.08 0.00 0.00 0.00 0.00 54.97 55.32 2yuv s GLU 38 Cb -0.38 -2.79 -0.02 0.00 2.00 0.00 0.00 34.13 32.94 2yuv s GLU 38 CO 0.46 0.33 -0.25 0.14 -0.56 0.00 0.00 175.26 175.38 2yuv s VAL 39 N -2.03 1.96 -0.04 3.70 -7.23 -1.26 -3.99 120.40 111.52 2yuv s VAL 39 Ca 0.38 -1.13 -0.00 0.00 -1.81 0.00 0.00 61.98 59.42 2yuv s VAL 39 Cb -0.10 -1.64 0.03 0.00 0.56 0.00 0.00 36.38 35.22 2yuv s VAL 39 CO 0.31 0.49 0.01 -0.54 -0.31 0.00 0.00 175.10 175.06 2yuv s LYS 40 N -0.76 0.27 -0.15 4.82 1.02 -1.08 -4.98 119.74 118.88 2yuv s LYS 40 Ca 0.10 0.13 -0.09 0.00 0.02 0.00 0.00 55.97 56.13 2yuv s LYS 40 Cb -0.10 -0.54 -0.04 0.00 -0.52 0.00 0.00 37.83 36.63 2yuv s LYS 40 CO -0.00 -0.19 0.16 -1.58 -0.92 0.00 0.00 175.35 172.81 2yuv s TRP 41 N 1.34 3.53 0.04 3.18 0.52 -1.26 -2.23 118.94 124.06 2yuv s TRP 41 Ca -0.05 0.48 0.02 0.00 0.02 0.00 0.00 56.10 56.57 2yuv s TRP 41 Cb -0.13 -2.06 -0.02 0.00 -1.15 0.00 0.00 33.47 30.11 2yuv s TRP 41 CO -0.02 0.54 -0.08 0.71 0.02 0.00 0.00 176.95 178.12 2yuv s TYR 42 N -0.44 0.69 -0.25 -1.98 2.02 -1.16 -1.85 117.35 114.39 2yuv s TYR 42 Ca 0.13 -0.52 -0.02 0.00 -0.37 0.00 0.00 57.07 56.29 2yuv s TYR 42 Cb -0.12 -0.41 0.08 0.00 -0.40 0.00 0.00 41.96 41.11 2yuv s TYR 42 CO 0.02 -0.08 0.06 0.21 -1.57 0.00 0.00 175.55 174.19 2yuv s LYS 43 N -1.67 0.69 -0.91 -0.62 2.20 -0.65 -2.71 119.74 116.07 2yuv s LYS 43 Ca -0.09 -0.69 -0.06 0.00 -0.36 0.00 0.00 55.97 54.77 2yuv s LYS 43 Cb -0.09 -2.01 0.01 0.00 -1.51 0.00 0.00 37.83 34.22 2yuv s LYS 43 CO 0.00 -0.79 0.80 -1.71 -0.36 0.00 0.00 175.35 173.28 2yuv n ASN 44 N 4.98 -4.83 -2.11 1.43 5.15 -1.22 -3.00 115.26 115.65 2yuv n ASN 44 Ca -0.06 -0.37 -0.13 0.00 -0.60 0.00 0.00 54.58 53.42 2yuv n ASN 44 Cb 0.45 -3.56 0.04 0.00 -0.53 0.00 0.00 39.78 36.17 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 -1.50 0.07 2.86 8.20 0.00 -1.26 -5.02 105.19 108.53 2yuv n GLY 45 Ca -0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 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 -5.56 0.17 0.33 1.61 -0.21 -1.16 -5.13 119.66 109.70 2yuv s GLN 46 Ca 0.28 0.45 -0.26 0.00 0.02 0.00 0.00 55.36 55.85 2yuv s GLN 46 Cb -0.12 -0.65 -0.14 0.00 1.00 0.00 0.00 33.01 33.10 2yuv s GLN 46 CO 0.35 -0.49 0.83 -1.91 -2.12 0.00 0.00 175.29 171.95 2yuv n GLU 47 N 5.33 0.98 -3.96 2.91 2.13 -1.26 -1.64 120.64 125.14 2yuv n GLU 47 Ca -0.05 0.35 -0.36 0.00 0.66 0.00 0.00 57.16 57.75 2yuv n GLU 47 Cb 0.50 -1.68 -0.07 0.00 0.27 0.00 0.00 31.44 30.46 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 -1.18 5.24 -0.04 6.31 1.01 -0.77 -4.83 121.20 126.94 2yuv s ILE 48 Ca 0.61 0.11 -0.02 0.00 0.00 0.00 0.00 60.65 61.35 2yuv s ILE 48 Cb -0.69 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2yuv s ILE 48 CO 0.59 0.59 0.08 0.00 0.00 0.00 0.00 174.94 176.19 2yuv s ARG 49 N -0.77 3.12 -0.19 2.79 1.70 -1.26 -4.86 118.95 119.47 2yuv s ARG 49 Ca 0.13 -0.40 -0.29 0.00 -0.47 0.00 0.00 55.73 54.70 2yuv s ARG 49 Cb -0.12 -2.90 -0.03 0.00 -0.57 0.00 0.00 34.95 31.33 2yuv s ARG 49 CO 0.03 0.68 1.59 -1.25 -1.08 0.00 0.00 175.30 175.27 2yuv s PRO 50 N -1.43 3.88 0.32 3.89 0.04 -1.26 -4.58 135.00 135.87 2yuv s PRO 50 Ca 0.19 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.82 2yuv s PRO 50 Cb -0.12 -4.01 0.03 0.00 0.04 0.00 0.00 34.50 30.44 2yuv s PRO 50 CO 0.10 -1.18 0.67 -1.12 0.04 0.00 0.00 177.00 175.50 2yuv s SER 51 N 3.92 0.04 0.42 6.66 0.01 -0.62 -4.95 113.70 119.18 2yuv s SER 51 Ca 0.70 -0.99 0.29 0.00 1.31 0.00 0.00 55.95 57.26 2yuv s SER 51 Cb -0.26 0.74 1.43 0.00 0.21 0.00 0.00 66.02 68.15 2yuv s SER 51 CO 0.28 -1.43 1.59 0.74 0.41 0.00 0.00 173.24 174.83 2yuv h THR 52 N 2.06 0.05 -0.05 1.44 2.02 -1.99 0.65 112.91 117.09 2yuv h THR 52 Ca -0.26 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 2yuv h THR 52 Cb 1.25 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2yuv h THR 52 CO 0.34 0.01 -0.22 0.50 0.37 0.00 0.00 175.52 176.52 2yuv h LYS 53 N 0.04 0.24 -4.70 6.66 3.64 -1.91 -3.43 116.57 117.12 2yuv h LYS 53 Ca 0.85 -0.19 -0.69 0.00 -1.27 0.00 0.00 60.65 59.36 2yuv h LYS 53 Cb 2.61 0.04 -0.22 0.00 -0.41 0.00 0.00 32.23 34.24 2yuv h LYS 53 CO -0.52 0.83 -0.52 0.71 -2.27 0.00 0.00 179.45 177.68 2yuv s TYR 54 N -3.66 3.21 -0.49 1.91 2.02 0.23 -2.09 117.35 118.47 2yuv s TYR 54 Ca -0.15 -0.57 -0.13 0.00 -0.37 0.00 0.00 57.07 55.85 2yuv s TYR 54 Cb 0.03 -2.42 0.11 0.00 -0.40 0.00 0.00 41.96 39.28 2yuv s TYR 54 CO 0.75 -0.48 0.41 0.42 -1.57 0.00 0.00 175.55 175.07 2yuv s ILE 55 N 1.63 4.81 -0.26 2.71 -1.09 -0.66 -1.58 121.20 126.76 2yuv s ILE 55 Ca 0.04 -1.49 -0.21 0.00 -2.23 0.00 0.00 60.65 56.76 2yuv s ILE 55 Cb -0.18 -4.05 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 2yuv s ILE 55 CO 0.08 -0.75 0.65 -0.36 -1.23 0.00 0.00 174.94 173.33 2yuv s PHE 56 N 1.52 3.27 0.13 3.97 0.40 -1.26 -2.79 117.98 123.22 2yuv s PHE 56 Ca 0.04 0.80 0.06 0.00 -0.60 0.00 0.00 56.93 57.23 2yuv s PHE 56 Cb -0.27 -2.90 -0.04 0.00 0.51 0.00 0.00 43.02 40.32 2yuv s PHE 56 CO 0.02 -0.37 -0.13 -1.21 0.70 0.00 0.00 175.22 174.24 2yuv s GLU 57 N 2.57 1.05 -0.14 0.44 0.41 -0.72 -4.99 118.70 117.33 2yuv s GLU 57 Ca 0.27 -1.32 -0.02 0.00 -0.41 0.00 0.00 54.97 53.49 2yuv s GLU 57 Cb -0.15 -0.84 0.05 0.00 -1.78 0.00 0.00 34.13 31.40 2yuv s GLU 57 CO 0.09 0.15 0.03 -1.58 -0.49 0.00 0.00 175.26 173.45 2yuv s HIS 58 N -2.51 0.78 -0.39 1.61 5.65 -1.26 -1.33 115.29 117.86 2yuv s HIS 58 Ca 0.12 -0.49 0.01 0.00 0.25 0.00 0.00 55.06 54.95 2yuv s HIS 58 Cb -0.03 -0.89 0.13 0.00 -1.18 0.00 0.00 32.58 30.61 2yuv s HIS 58 CO 0.03 -0.47 0.20 0.15 -0.65 0.00 0.00 174.74 174.00 2yuv s LYS 59 N 1.94 0.94 -0.31 2.88 1.02 -0.49 -4.95 119.74 120.76 2yuv s LYS 59 Ca 0.02 -1.60 -0.01 0.00 0.02 0.00 0.00 55.97 54.40 2yuv s LYS 59 Cb -0.15 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 2yuv s LYS 59 CO -0.07 -1.14 0.04 0.41 -0.92 0.00 0.00 175.35 173.67 2yuv n GLY 60 N 3.97 -4.08 3.71 -3.33 0.00 -1.26 -3.43 105.19 100.76 2yuv n GLY 60 Ca 0.07 0.50 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 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 -5.54 0.13 -0.25 0.00 0.74 -1.22 -1.75 119.66 111.78 2yuv s GLN 62 Ca 0.58 -0.22 -0.18 0.00 0.05 0.00 0.00 55.36 55.59 2yuv s GLN 62 Cb -0.34 -1.48 -0.03 0.00 1.10 0.00 0.00 33.01 32.26 2yuv s GLN 62 CO 0.74 -0.81 0.50 1.03 -0.55 0.00 0.00 175.29 176.20 2yuv s ARG 63 N 2.15 4.10 -0.06 1.67 1.81 -0.59 -1.40 118.95 126.62 2yuv s ARG 63 Ca 0.05 0.32 -0.01 0.00 -1.72 0.00 0.00 55.73 54.37 2yuv s ARG 63 Cb -0.16 -3.63 -0.03 0.00 -0.45 0.00 0.00 34.95 30.68 2yuv s ARG 63 CO -0.21 -0.29 0.01 0.42 -0.68 0.00 0.00 175.30 174.56 2yuv s ILE 64 N 2.10 4.34 -0.07 1.52 1.01 -0.44 -2.14 121.20 127.53 2yuv s ILE 64 Ca 0.21 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.55 2yuv s ILE 64 Cb -0.16 -2.86 0.02 0.00 0.01 0.00 0.00 42.46 39.47 2yuv s ILE 64 CO 0.09 0.54 -0.07 -0.22 0.00 0.00 0.00 174.94 175.29 2yuv s LEU 65 N -1.09 1.29 -0.10 2.97 1.98 0.63 -1.76 118.68 122.59 2yuv s LEU 65 Ca 0.15 -0.21 0.03 0.00 -2.89 0.00 0.00 54.13 51.21 2yuv s LEU 65 Cb -0.11 -0.64 -0.01 0.00 0.66 0.00 0.00 46.19 46.09 2yuv s LEU 65 CO 0.05 -0.06 -0.20 -0.36 -1.89 0.00 0.00 176.35 173.89 2yuv s PHE 66 N 1.16 2.65 -0.28 5.38 0.08 -1.12 -0.67 117.98 125.18 2yuv s PHE 66 Ca -0.06 -0.83 0.00 0.00 0.12 0.00 0.00 56.93 56.16 2yuv s PHE 66 Cb -0.14 -1.74 0.05 0.00 -0.57 0.00 0.00 43.02 40.62 2yuv s PHE 66 CO -0.01 -0.30 -0.06 0.42 -0.10 0.00 0.00 175.22 175.17 2yuv s ILE 67 N 0.25 2.61 0.36 0.64 1.01 -1.23 -1.65 121.20 123.19 2yuv s ILE 67 Ca -0.13 -1.45 -0.12 0.00 0.00 0.00 0.00 60.65 58.95 2yuv s ILE 67 Cb -0.16 -2.49 -0.07 0.00 0.01 0.00 0.00 42.46 39.74 2yuv s ILE 67 CO 0.07 -0.03 0.74 0.20 0.00 0.00 0.00 174.94 175.91 2yuv s ASN 68 N 1.20 6.61 -0.43 3.58 0.01 -0.89 -2.77 114.94 122.24 2yuv s ASN 68 Ca -0.06 1.15 -0.00 0.00 -0.71 0.00 0.00 52.86 53.24 2yuv s ASN 68 Cb -0.19 -2.33 -0.00 0.00 0.41 0.00 0.00 41.25 39.14 2yuv s ASN 68 CO -0.03 -0.31 0.36 -3.20 -1.51 0.00 0.00 177.10 172.40 2yuv n ASN 69 N -0.92 -2.19 -4.59 -1.22 5.15 -0.42 -4.92 115.26 106.15 2yuv n ASN 69 Ca 0.02 -0.23 -0.42 0.00 -0.60 0.00 0.00 54.58 53.35 2yuv n ASN 69 Cb 0.54 -2.18 -0.02 0.00 -0.53 0.00 0.00 39.78 37.58 2yuv n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yuv s GLN 71 N 5.33 2.37 0.21 0.00 2.00 -1.26 0.22 119.66 128.52 2yuv s GLN 71 Ca 0.64 -0.95 -0.13 0.00 -2.00 0.00 0.00 55.36 52.92 2yuv s GLN 71 Cb -0.15 -2.42 0.25 0.00 0.80 0.00 0.00 33.01 31.49 2yuv s GLN 71 CO 0.31 0.51 1.63 0.52 -0.50 0.00 0.00 175.29 177.76 2yuv h MET 72 N 3.38 0.02 -0.54 1.67 2.86 -1.83 0.95 114.93 121.43 2yuv h MET 72 Ca -0.48 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.08 2yuv h MET 72 Cb 1.17 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.81 2yuv h MET 72 CO 0.57 0.01 0.01 1.79 1.06 0.00 0.00 176.91 180.35 2yuv h THR 73 N 0.02 1.25 -0.82 2.22 1.35 -1.95 -2.89 112.91 112.08 2yuv h THR 73 Ca 0.31 -1.07 0.07 0.00 -0.55 0.00 0.00 66.41 65.18 2yuv h THR 73 Cb 0.48 0.82 -0.07 0.00 -1.73 0.00 0.00 68.15 67.66 2yuv h THR 73 CO -0.64 0.38 0.49 0.44 -0.25 0.00 0.00 175.52 175.95 2yuv h ASP 74 N 0.85 0.74 -0.24 5.36 3.32 -1.24 -3.43 116.42 121.79 2yuv h ASP 74 Ca 0.16 0.03 -0.58 0.00 0.02 0.00 0.00 57.03 56.66 2yuv h ASP 74 Cb 0.49 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 2yuv h ASP 74 CO 0.02 0.46 0.80 -0.90 -1.72 0.00 0.00 179.24 177.90 2yuv n ASP 75 N -4.69 0.65 -4.16 6.45 5.75 -0.52 -4.89 116.55 115.14 2yuv n ASP 75 Ca 0.12 0.62 -0.15 0.00 -0.01 0.00 0.00 54.79 55.36 2yuv n ASP 75 Cb 0.22 -0.65 -0.10 0.00 -1.03 0.00 0.00 41.12 39.56 2yuv n ASP 75 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2yuv s SER 76 N 3.62 0.92 -0.49 -1.12 0.01 -1.26 -4.97 113.70 110.40 2yuv s SER 76 Ca 0.83 -1.44 -0.21 0.00 1.31 0.00 0.00 55.95 56.44 2yuv s SER 76 Cb -1.09 0.31 0.04 0.00 0.21 0.00 0.00 66.02 65.49 2yuv s SER 76 CO 0.52 -0.82 0.72 -0.70 0.41 0.00 0.00 173.24 173.36 2yuv s GLU 77 N -4.00 3.24 0.37 12.44 2.12 -1.26 -3.51 118.70 128.09 2yuv s GLU 77 Ca 0.38 -0.52 -0.11 0.00 0.36 0.00 0.00 54.97 55.08 2yuv s GLU 77 Cb 0.07 -4.03 -0.07 0.00 0.26 0.00 0.00 34.13 30.36 2yuv s GLU 77 CO 0.15 -1.21 0.73 0.71 -0.54 0.00 0.00 175.26 175.09 2yuv s TYR 78 N 3.05 3.45 -0.27 5.30 1.51 -1.17 -3.41 117.35 125.81 2yuv s TYR 78 Ca 0.22 1.02 -0.11 0.00 -1.01 0.00 0.00 57.07 57.19 2yuv s TYR 78 Cb -0.15 -2.41 0.11 0.00 -0.11 0.00 0.00 41.96 39.39 2yuv s TYR 78 CO 0.17 -0.02 0.62 1.52 -1.11 0.00 0.00 175.55 176.73 2yuv s TYR 79 N -2.23 -1.16 0.05 2.71 1.13 -1.10 -1.90 117.35 114.85 2yuv s TYR 79 Ca 0.51 2.12 0.01 0.00 -1.41 0.00 0.00 57.07 58.30 2yuv s TYR 79 Cb -0.10 0.67 -0.04 0.00 -1.10 0.00 0.00 41.96 41.39 2yuv s TYR 79 CO 0.28 -0.59 0.12 0.54 -2.51 0.00 0.00 175.55 173.39 2yuv s VAL 80 N 2.45 4.85 -0.08 -3.49 0.11 -1.24 -2.96 120.40 120.04 2yuv s VAL 80 Ca -0.07 -0.56 0.04 0.00 -2.93 0.00 0.00 61.98 58.47 2yuv s VAL 80 Cb -0.10 -3.31 -0.00 0.00 -1.53 0.00 0.00 36.38 31.44 2yuv s VAL 80 CO -0.18 0.19 -0.21 0.42 -3.33 0.00 0.00 175.10 171.99 2yuv s THR 81 N -1.37 1.78 -0.32 5.04 -4.23 -0.95 -0.64 115.64 114.95 2yuv s THR 81 Ca 0.29 -0.88 -0.01 0.00 -1.18 0.00 0.00 61.69 59.91 2yuv s THR 81 Cb -0.12 -1.54 0.10 0.00 1.34 0.00 0.00 72.50 72.28 2yuv s THR 81 CO 0.22 0.50 0.12 0.00 -0.54 0.00 0.00 174.62 174.91 2yuv s ALA 82 N 0.25 1.37 0.00 3.99 0.00 -0.08 -2.64 121.76 124.64 2yuv s ALA 82 Ca -0.13 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.21 2yuv s ALA 82 Cb -0.16 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.37 2yuv s ALA 82 CO 0.06 -1.71 0.00 0.41 0.00 0.00 0.00 175.76 174.52 2yuv n GLY 83 N 4.80 2.10 1.62 0.00 0.00 -1.26 -2.88 105.19 109.57 2yuv n GLY 83 Ca -0.01 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 9.87 3.14 -3.88 1.61 8.00 -1.26 -4.98 116.55 129.06 2yuv n ASP 84 Ca 0.00 -3.73 -0.11 0.00 0.71 0.00 0.00 54.79 51.66 2yuv n ASP 84 Cb 0.00 -0.72 -0.06 0.00 -0.02 0.00 0.00 41.12 40.32 2yuv n ASP 84 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2yuv s GLU 85 N -3.30 1.55 0.20 -1.24 0.41 -1.14 -4.98 118.70 110.20 2yuv s GLU 85 Ca 0.50 -1.45 -0.23 0.00 -0.41 0.00 0.00 54.97 53.38 2yuv s GLU 85 Cb 0.44 0.42 0.05 0.00 -1.78 0.00 0.00 34.13 33.26 2yuv s GLU 85 CO 0.04 -0.62 0.81 -1.59 -0.49 0.00 0.00 175.26 173.41 2yuv s LYS 86 N -3.83 1.44 0.23 1.61 -2.85 -1.26 -0.90 119.74 114.17 2yuv s LYS 86 Ca 0.28 -0.76 0.02 0.00 -1.00 0.00 0.00 55.97 54.50 2yuv s LYS 86 Cb 0.01 0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 36.29 2yuv s LYS 86 CO 0.12 -0.65 0.06 0.00 0.10 0.00 0.00 175.35 174.97 2yuv s SER 88 N -2.34 -0.59 0.18 0.00 1.04 -1.26 -3.69 113.70 107.03 2yuv s SER 88 Ca 0.08 0.98 -0.10 0.00 0.48 0.00 0.00 55.95 57.39 2yuv s SER 88 Cb 0.00 0.93 -0.00 0.00 0.10 0.00 0.00 66.02 67.05 2yuv s SER 88 CO 0.06 -0.31 0.33 0.28 0.98 0.00 0.00 173.24 174.58 2yuv s THR 89 N -0.20 0.05 -0.11 2.02 -1.32 -0.80 -4.76 115.64 110.53 2yuv s THR 89 Ca -0.02 -1.34 0.04 0.00 -1.21 0.00 0.00 61.69 59.16 2yuv s THR 89 Cb -0.03 -1.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.09 2yuv s THR 89 CO 0.01 -0.24 -0.24 -1.61 -2.21 0.00 0.00 174.62 170.33 2yuv s GLU 90 N -3.97 3.05 -0.20 7.08 2.02 -1.26 -3.03 118.70 122.40 2yuv s GLU 90 Ca 0.17 -0.87 -0.14 0.00 0.02 0.00 0.00 54.97 54.15 2yuv s GLU 90 Cb 0.03 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.89 2yuv s GLU 90 CO 0.01 0.16 0.31 -1.17 0.02 0.00 0.00 175.26 174.59 2yuv s LEU 91 N 0.39 4.17 -0.45 1.80 1.98 -1.23 -0.28 118.68 125.07 2yuv s LEU 91 Ca -0.18 0.42 0.03 0.00 -2.89 0.00 0.00 54.13 51.52 2yuv s LEU 91 Cb -0.18 -2.38 0.12 0.00 0.66 0.00 0.00 46.19 44.41 2yuv s LEU 91 CO 0.08 0.00 0.19 -0.36 -1.89 0.00 0.00 176.35 174.37 2yuv s PHE 92 N 1.04 3.06 -0.33 5.38 0.08 -0.15 -4.52 117.98 122.54 2yuv s PHE 92 Ca 0.16 -2.93 -0.17 0.00 0.12 0.00 0.00 56.93 54.10 2yuv s PHE 92 Cb -0.14 -2.64 -0.01 0.00 -0.57 0.00 0.00 43.02 39.66 2yuv s PHE 92 CO 0.06 -0.81 0.46 0.54 -0.10 0.00 0.00 175.22 175.37 2yuv s VAL 93 N 0.22 5.08 1.08 -0.44 0.11 -1.26 -2.33 120.40 122.85 2yuv s VAL 93 Ca 0.15 0.37 -0.18 0.00 -2.93 0.00 0.00 61.98 59.39 2yuv s VAL 93 Cb -0.23 -3.88 0.27 0.00 -1.53 0.00 0.00 36.38 31.01 2yuv s VAL 93 CO -0.03 -0.10 0.90 0.54 -3.33 0.00 0.00 175.10 173.08 2yuv n ARG 94 N 5.58 -3.07 -3.74 1.54 5.12 -0.21 -4.44 116.66 117.45 2yuv n ARG 94 Ca -0.06 -1.45 -0.28 0.00 -1.93 0.00 0.00 57.85 54.13 2yuv n ARG 94 Cb 0.49 -1.43 -0.11 0.00 -1.16 0.00 0.00 32.46 30.26 2yuv n ARG 94 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2yuv n SER 95 N -4.71 2.99 -3.62 0.55 3.41 -1.26 -2.75 113.62 108.23 2yuv n SER 95 Ca 0.13 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 2yuv n SER 95 Cb 0.50 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 1.70 -2.25 3.60 5.00 0.00 -1.26 -4.82 105.19 107.16 2yuv n GLY 96 Ca 0.23 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 2yuv n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuv s PRO 97 N 0.00 3.44 0.35 1.61 0.04 -1.26 -4.99 135.00 134.19 2yuv s PRO 97 Ca 0.00 1.35 0.09 0.00 0.04 0.00 0.00 61.00 62.47 2yuv s PRO 97 Cb 0.00 -4.14 -0.05 0.00 0.04 0.00 0.00 34.50 30.35 2yuv s PRO 97 CO 0.00 -1.73 0.04 -1.54 0.04 0.00 0.00 177.00 173.81 2yuv s SER 98 N 5.40 4.24 0.50 6.66 1.04 -1.26 -5.08 113.70 125.20 2yuv s SER 98 Ca 0.75 -0.99 -0.19 0.00 0.48 0.00 0.00 55.95 56.00 2yuv s SER 98 Cb -0.21 -0.54 -0.12 0.00 0.10 0.00 0.00 66.02 65.25 2yuv s SER 98 CO 0.33 -0.28 0.29 -1.20 0.98 0.00 0.00 173.24 173.37 2yuv n SER 99 N -1.00 -1.97 0.00 7.02 7.64 -1.26 -5.29 113.62 118.76 2yuv n SER 99 Ca -0.04 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.60 2yuv n SER 99 Cb 0.63 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 2yuv n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64