#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 3.31 -3.52 1.61 7.64 -1.26 -4.94 113.62 116.47 2yuv n SER 2 Ca 0.00 1.00 -0.14 0.00 1.01 0.00 0.00 58.87 60.74 2yuv n SER 2 Cb 0.00 -1.37 -0.05 0.00 -1.01 0.00 0.00 64.21 61.78 2yuv n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yuv s SER 3 N 3.33 -0.53 0.06 6.43 0.15 -1.26 -5.14 113.70 116.75 2yuv s SER 3 Ca 0.90 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.98 2yuv s SER 3 Cb -0.71 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2yuv s SER 3 CO 0.49 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2yuv n GLY 4 N 0.52 -3.54 3.66 9.45 0.00 -1.26 -4.85 105.19 109.18 2yuv n GLY 4 Ca -0.15 -0.92 -0.55 0.00 0.00 0.00 0.00 46.02 44.41 2yuv n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yuv n SER 5 N -0.43 2.18 -4.40 1.61 2.88 -1.26 -4.88 113.62 109.33 2yuv n SER 5 Ca 0.00 1.09 -0.45 0.00 -1.33 0.00 0.00 58.87 58.18 2yuv n SER 5 Cb 0.00 -1.18 -0.02 0.00 -0.75 0.00 0.00 64.21 62.26 2yuv n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yuv s SER 6 N 2.33 6.84 -0.62 -3.46 0.15 -1.26 -4.91 113.70 112.77 2yuv s SER 6 Ca 0.92 -2.62 0.06 0.00 0.70 0.00 0.00 55.95 55.01 2yuv s SER 6 Cb -1.00 -2.31 0.22 0.00 -1.71 0.00 0.00 66.02 61.22 2yuv s SER 6 CO 0.57 -0.74 0.61 0.61 1.20 0.00 0.00 173.24 175.49 2yuv n GLY 7 N 4.38 4.16 3.27 9.45 0.00 -1.26 -5.01 105.19 120.18 2yuv n GLY 7 Ca 0.23 -2.48 0.03 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.84 -3.05 -0.14 4.61 0.00 -1.26 -5.05 121.76 115.03 2yuv s ALA 8 Ca 0.34 1.79 0.05 0.00 0.00 0.00 0.00 51.96 54.14 2yuv s ALA 8 Cb 0.08 -2.25 -0.12 0.00 0.00 0.00 0.00 23.12 20.83 2yuv s ALA 8 CO -0.09 -1.13 -0.07 0.00 0.00 0.00 0.00 175.76 174.47 2yuv n ALA 9 N 5.07 1.68 -2.58 0.00 0.00 -1.26 -4.78 120.51 118.64 2yuv n ALA 9 Ca -0.08 -0.72 -0.40 0.00 0.00 0.00 0.00 53.44 52.25 2yuv n ALA 9 Cb 0.53 0.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.30 3.23 0.21 0.00 0.08 -1.26 -2.08 117.98 115.85 2yuv s PHE 10 Ca -0.15 0.20 0.07 0.00 0.12 0.00 0.00 56.93 57.18 2yuv s PHE 10 Cb 0.05 -2.59 0.14 0.00 -0.57 0.00 0.00 43.02 40.06 2yuv s PHE 10 CO 0.41 -0.30 1.48 0.00 -0.10 0.00 0.00 175.22 176.72 2yuv h ALA 11 N 8.32 0.73 -2.20 5.36 0.00 -1.32 -3.44 119.26 126.72 2yuv h ALA 11 Ca -0.31 -0.67 -0.20 0.00 0.00 0.00 0.00 54.91 53.73 2yuv h ALA 11 Cb 1.16 -0.11 -0.31 0.00 0.00 0.00 0.00 17.79 18.53 2yuv h ALA 11 CO 0.65 0.90 -0.51 0.21 0.00 0.00 0.00 179.25 180.50 2yuv s LYS 12 N -3.34 0.29 0.89 0.00 2.20 -1.19 -4.90 119.74 113.68 2yuv s LYS 12 Ca -0.01 0.50 -0.13 0.00 -0.36 0.00 0.00 55.97 55.96 2yuv s LYS 12 Cb 0.11 -0.58 0.13 0.00 -1.51 0.00 0.00 37.83 35.99 2yuv s LYS 12 CO 0.79 -0.58 1.21 0.96 -0.36 0.00 0.00 175.35 177.37 2yuv s ILE 13 N 2.48 1.98 0.67 5.43 -4.36 -1.26 -1.66 121.20 124.49 2yuv s ILE 13 Ca 0.09 0.00 -0.08 0.00 -0.26 0.00 0.00 60.65 60.40 2yuv s ILE 13 Cb -0.15 -2.93 0.04 0.00 1.25 0.00 0.00 42.46 40.67 2yuv s ILE 13 CO -0.14 0.00 1.00 -0.76 0.24 0.00 0.00 174.94 175.28 2yuv s LEU 14 N -5.82 2.94 0.63 0.37 1.02 -1.26 -4.91 118.68 111.66 2yuv s LEU 14 Ca 0.66 0.68 -0.18 0.00 0.02 0.00 0.00 54.13 55.32 2yuv s LEU 14 Cb -0.10 -3.40 -0.02 0.00 0.02 0.00 0.00 46.19 42.69 2yuv s LEU 14 CO 0.51 -1.40 1.20 -1.81 0.02 0.00 0.00 176.35 174.87 2yuv s ASP 15 N -4.42 4.98 0.00 2.29 1.01 -1.26 -4.90 116.67 114.37 2yuv s ASP 15 Ca 0.58 2.35 0.14 0.00 0.71 0.00 0.00 52.55 56.33 2yuv s ASP 15 Cb -0.11 -2.59 0.61 0.00 1.01 0.00 0.00 42.92 41.84 2yuv s ASP 15 CO 0.46 -1.73 1.45 -0.81 0.21 0.00 0.00 175.17 174.75 2yuv n PRO 16 N -1.88 0.02 -3.64 8.23 -0.04 -1.26 -4.54 135.00 131.89 2yuv n PRO 16 Ca 0.13 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 2yuv n PRO 16 Cb 0.50 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.49 0.34 0.55 0.00 -1.26 -4.04 121.76 111.89 2yuv s ALA 17 Ca 0.07 2.09 0.08 0.00 0.00 0.00 0.00 51.96 54.20 2yuv s ALA 17 Cb 0.09 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 2yuv s ALA 17 CO 0.26 -0.35 0.26 0.71 0.00 0.00 0.00 175.76 176.63 2yuv s TYR 18 N 1.22 2.85 -0.12 0.00 1.51 0.39 -4.97 117.35 118.24 2yuv s TYR 18 Ca -0.08 -0.32 -0.05 0.00 -1.01 0.00 0.00 57.07 55.60 2yuv s TYR 18 Cb -0.03 -1.76 0.06 0.00 -0.11 0.00 0.00 41.96 40.12 2yuv s TYR 18 CO -0.12 0.22 0.27 -0.65 -1.11 0.00 0.00 175.55 174.15 2yuv s GLN 19 N -3.96 0.18 0.20 -0.62 -0.21 -1.26 -1.49 119.66 112.50 2yuv s GLN 19 Ca 0.40 0.68 -0.06 0.00 0.02 0.00 0.00 55.36 56.40 2yuv s GLN 19 Cb -0.05 -0.06 -0.02 0.00 1.00 0.00 0.00 33.01 33.88 2yuv s GLN 19 CO 0.26 -0.23 0.26 0.54 -2.12 0.00 0.00 175.29 173.99 2yuv s VAL 20 N 1.95 0.02 0.17 1.09 0.11 -0.94 -4.99 120.40 117.81 2yuv s VAL 20 Ca -0.03 -1.70 -0.10 0.00 -2.93 0.00 0.00 61.98 57.21 2yuv s VAL 20 Cb -0.11 -2.25 -0.07 0.00 -1.53 0.00 0.00 36.38 32.42 2yuv s VAL 20 CO -0.09 -0.10 0.50 -1.81 -3.33 0.00 0.00 175.10 170.28 2yuv s ASP 21 N -3.07 6.67 0.93 3.54 1.11 -1.26 0.21 116.67 124.79 2yuv s ASP 21 Ca 0.29 0.90 -0.15 0.00 0.18 0.00 0.00 52.55 53.77 2yuv s ASP 21 Cb 0.04 -2.22 -0.04 0.00 1.07 0.00 0.00 42.92 41.77 2yuv s ASP 21 CO 0.08 0.03 -0.01 1.17 1.18 0.00 0.00 175.17 177.63 2yuv n LYS 22 N 0.34 -0.12 -3.03 8.23 4.81 -1.08 -1.51 118.16 125.80 2yuv n LYS 22 Ca -0.03 -0.01 -0.14 0.00 -0.87 0.00 0.00 58.31 57.27 2yuv n LYS 22 Cb 0.52 -1.54 -0.03 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 2.22 -0.43 0.00 3.14 0.00 0.49 -4.67 105.19 105.95 2yuv n GLY 23 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.66 3.13 2.97 -0.02 0.00 -0.57 -3.79 105.19 106.26 2yuv n GLY 24 Ca 0.04 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 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 4.20 0.13 0.42 1.61 3.52 -1.26 -1.58 118.95 126.00 2yuv s ARG 25 Ca 0.00 0.56 0.03 0.00 -0.13 0.00 0.00 55.73 56.19 2yuv s ARG 25 Cb 0.00 -0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.25 2yuv s ARG 25 CO 0.00 -0.22 0.61 0.14 -0.81 0.00 0.00 175.30 175.02 2yuv s VAL 26 N 1.72 3.71 -0.12 7.11 -7.23 -1.13 -4.93 120.40 119.54 2yuv s VAL 26 Ca -0.04 -0.74 0.01 0.00 -1.81 0.00 0.00 61.98 59.39 2yuv s VAL 26 Cb -0.11 -3.33 0.02 0.00 0.56 0.00 0.00 36.38 33.51 2yuv s VAL 26 CO -0.07 -0.19 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.79 2yuv s ARG 27 N -4.44 2.07 -0.23 4.82 3.52 -1.26 -3.55 118.95 119.88 2yuv s ARG 27 Ca 0.49 -0.49 -0.01 0.00 -0.13 0.00 0.00 55.73 55.58 2yuv s ARG 27 Cb -0.10 -1.85 0.07 0.00 -1.56 0.00 0.00 34.95 31.51 2yuv s ARG 27 CO 0.35 -0.13 0.03 -0.06 -0.81 0.00 0.00 175.30 174.68 2yuv s PHE 28 N 1.21 1.55 0.01 5.12 0.08 0.73 -4.99 117.98 121.68 2yuv s PHE 28 Ca -0.02 -1.31 0.04 0.00 0.12 0.00 0.00 56.93 55.76 2yuv s PHE 28 Cb -0.14 -1.35 -0.01 0.00 -0.57 0.00 0.00 43.02 40.95 2yuv s PHE 28 CO -0.05 -0.72 -0.14 0.54 -0.10 0.00 0.00 175.22 174.76 2yuv s VAL 29 N 1.68 1.09 0.28 -0.44 0.11 -1.26 0.21 120.40 122.07 2yuv s VAL 29 Ca 0.01 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 2yuv s VAL 29 Cb -0.18 -0.93 -0.05 0.00 -1.53 0.00 0.00 36.38 33.69 2yuv s VAL 29 CO -0.12 0.21 0.11 0.68 -3.33 0.00 0.00 175.10 172.65 2yuv s VAL 30 N -0.49 0.55 0.16 2.04 -7.23 -0.03 -4.63 120.40 110.76 2yuv s VAL 30 Ca 0.04 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.28 2yuv s VAL 30 Cb -0.06 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2yuv s VAL 30 CO 0.00 0.00 -0.16 -0.70 -0.31 0.00 0.00 175.10 173.93 2yuv s GLU 31 N -3.96 1.20 -0.05 4.82 2.12 -0.66 -2.22 118.70 119.95 2yuv s GLU 31 Ca 0.36 -1.39 0.03 0.00 0.36 0.00 0.00 54.97 54.33 2yuv s GLU 31 Cb 0.07 -1.13 0.01 0.00 0.26 0.00 0.00 34.13 33.34 2yuv s GLU 31 CO 0.15 0.22 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.46 2yuv s LEU 32 N -2.73 1.72 0.55 2.70 1.43 -0.93 -1.00 118.68 120.42 2yuv s LEU 32 Ca 0.15 -0.25 0.24 0.00 -1.03 0.00 0.00 54.13 53.23 2yuv s LEU 32 Cb -0.04 -0.72 1.52 0.00 0.03 0.00 0.00 46.19 46.97 2yuv s LEU 32 CO 0.05 0.06 2.15 0.00 0.23 0.00 0.00 176.35 178.84 2yuv h ALA 33 N 6.64 1.89 -2.53 4.21 0.00 -1.71 -3.42 119.26 124.34 2yuv h ALA 33 Ca -0.33 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 2yuv h ALA 33 Cb 1.18 0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.76 2yuv h ALA 33 CO 0.48 -0.14 -0.18 -0.51 0.00 0.00 0.00 179.25 178.89 2yuv s ASP 34 N -6.45 -0.38 0.00 0.00 1.01 -1.26 -5.03 116.67 104.57 2yuv s ASP 34 Ca -0.05 0.55 0.14 0.00 0.71 0.00 0.00 52.55 53.90 2yuv s ASP 34 Cb 0.16 0.62 0.61 0.00 1.01 0.00 0.00 42.92 45.33 2yuv s ASP 34 CO 0.62 -0.32 1.46 -0.81 0.21 0.00 0.00 175.17 176.33 2yuv n PRO 35 N 1.99 0.00 0.18 8.23 -0.04 -1.26 -2.64 135.00 141.47 2yuv n PRO 35 Ca -0.17 0.26 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 2yuv n PRO 35 Cb 0.57 -1.51 0.35 0.00 -0.04 0.00 0.00 33.50 32.86 2yuv n PRO 35 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2yuv h LYS 36 N 0.00 0.00 -6.87 0.54 2.10 -1.98 -3.43 116.57 106.93 2yuv h LYS 36 Ca 0.00 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.17 2yuv h LYS 36 Cb 0.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 2yuv h LYS 36 CO 0.00 0.40 0.37 -0.51 -2.00 0.00 0.00 179.45 177.71 2yuv s LEU 37 N -7.87 4.37 0.71 7.07 1.43 -1.08 -5.07 118.68 118.25 2yuv s LEU 37 Ca -0.02 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 2yuv s LEU 37 Cb 0.14 -3.95 0.13 0.00 0.03 0.00 0.00 46.19 42.53 2yuv s LEU 37 CO 0.72 -0.11 0.98 -1.61 0.23 0.00 0.00 176.35 176.56 2yuv s GLU 38 N -1.94 1.69 -0.04 1.70 8.01 -1.26 -4.98 118.70 121.87 2yuv s GLU 38 Ca 0.50 -1.20 -0.05 0.00 0.01 0.00 0.00 54.97 54.22 2yuv s GLU 38 Cb -0.21 -2.36 0.01 0.00 -4.31 0.00 0.00 34.13 27.26 2yuv s GLU 38 CO 0.27 -1.43 0.13 0.14 0.01 0.00 0.00 175.26 174.38 2yuv s VAL 39 N -3.11 0.01 -0.05 2.63 -7.23 -1.26 -4.24 120.40 107.15 2yuv s VAL 39 Ca 0.66 -0.07 -0.02 0.00 -1.81 0.00 0.00 61.98 60.75 2yuv s VAL 39 Cb -0.05 -0.21 0.04 0.00 0.56 0.00 0.00 36.38 36.72 2yuv s VAL 39 CO 0.44 -0.04 0.09 -0.54 -0.31 0.00 0.00 175.10 174.75 2yuv s LYS 40 N -0.07 -0.02 -0.13 4.82 -0.14 -1.03 -4.97 119.74 118.20 2yuv s LYS 40 Ca -0.01 0.39 -0.13 0.00 -1.36 0.00 0.00 55.97 54.86 2yuv s LYS 40 Cb -0.02 -0.35 -0.05 0.00 -1.68 0.00 0.00 37.83 35.74 2yuv s LYS 40 CO 0.00 -0.27 0.27 -1.58 -0.76 0.00 0.00 175.35 173.02 2yuv s TRP 41 N 1.83 3.52 0.07 3.18 0.52 -1.26 -2.21 118.94 124.58 2yuv s TRP 41 Ca -0.00 0.62 0.05 0.00 0.02 0.00 0.00 56.10 56.79 2yuv s TRP 41 Cb -0.12 -2.25 -0.03 0.00 -1.15 0.00 0.00 33.47 29.92 2yuv s TRP 41 CO -0.04 0.38 -0.15 0.71 0.02 0.00 0.00 176.95 177.87 2yuv s TYR 42 N -0.00 1.30 -0.33 -1.98 1.51 -1.02 -1.71 117.35 115.11 2yuv s TYR 42 Ca 0.17 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 2yuv s TYR 42 Cb -0.13 -0.74 0.10 0.00 -0.11 0.00 0.00 41.96 41.08 2yuv s TYR 42 CO 0.05 0.07 0.10 0.21 -1.11 0.00 0.00 175.55 174.87 2yuv s LYS 43 N -1.58 0.97 -0.51 -0.62 2.20 0.51 -2.85 119.74 117.85 2yuv s LYS 43 Ca 0.00 -1.38 -0.03 0.00 -0.36 0.00 0.00 55.97 54.20 2yuv s LYS 43 Cb -0.09 -2.35 0.00 0.00 -1.51 0.00 0.00 37.83 33.88 2yuv s LYS 43 CO 0.02 -0.99 0.43 -1.71 -0.36 0.00 0.00 175.35 172.74 2yuv n ASN 44 N 4.56 -3.61 -1.14 1.43 2.85 -1.13 -3.41 115.26 114.81 2yuv n ASN 44 Ca 0.01 -0.19 -0.08 0.00 -0.11 0.00 0.00 54.58 54.20 2yuv n ASN 44 Cb 0.41 -2.19 0.01 0.00 1.24 0.00 0.00 39.78 39.25 2yuv n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2yuv n GLY 45 N -1.06 0.20 2.92 8.20 0.00 -1.26 -5.04 105.19 109.14 2yuv n GLY 45 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.79 0.07 0.16 1.61 -1.52 -1.22 -5.13 119.66 108.84 2yuv s GLN 46 Ca 0.08 0.15 -0.32 0.00 -1.95 0.00 0.00 55.36 53.32 2yuv s GLN 46 Cb -0.03 -0.03 -0.10 0.00 -0.22 0.00 0.00 33.01 32.62 2yuv s GLN 46 CO 0.10 -0.05 1.57 -2.00 -0.25 0.00 0.00 175.29 174.65 2yuv s GLU 47 N 0.34 4.22 0.05 2.91 2.12 -1.26 -0.37 118.70 126.70 2yuv s GLU 47 Ca -0.03 2.35 -0.18 0.00 0.36 0.00 0.00 54.97 57.48 2yuv s GLU 47 Cb -0.04 -3.16 -0.06 0.00 0.26 0.00 0.00 34.13 31.13 2yuv s GLU 47 CO -0.01 -0.60 0.53 0.42 -0.54 0.00 0.00 175.26 175.06 2yuv s ILE 48 N 1.16 4.83 -0.05 -3.70 1.01 -0.69 -4.86 121.20 118.89 2yuv s ILE 48 Ca 0.70 1.13 -0.01 0.00 0.00 0.00 0.00 60.65 62.46 2yuv s ILE 48 Cb -0.44 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 2yuv s ILE 48 CO 0.31 0.54 0.03 -0.13 0.00 0.00 0.00 174.94 175.70 2yuv s ARG 49 N -0.98 3.00 -0.08 2.79 1.81 -1.26 -4.87 118.95 119.35 2yuv s ARG 49 Ca 0.28 -0.45 -0.30 0.00 -1.72 0.00 0.00 55.73 53.55 2yuv s ARG 49 Cb -0.19 -2.82 -0.04 0.00 -0.45 0.00 0.00 34.95 31.45 2yuv s ARG 49 CO 0.17 0.68 1.51 -1.25 -0.68 0.00 0.00 175.30 175.74 2yuv s PRO 50 N -1.26 4.20 0.29 3.54 0.04 -1.26 -4.67 135.00 135.88 2yuv s PRO 50 Ca 0.17 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 63.03 2yuv s PRO 50 Cb -0.12 -3.88 0.02 0.00 0.04 0.00 0.00 34.50 30.56 2yuv s PRO 50 CO 0.07 -0.78 0.70 -1.54 0.04 0.00 0.00 177.00 175.49 2yuv s SER 51 N 2.80 -0.21 0.37 6.66 1.04 -0.98 -4.96 113.70 118.42 2yuv s SER 51 Ca 0.67 -0.70 0.23 0.00 0.48 0.00 0.00 55.95 56.62 2yuv s SER 51 Cb -0.30 0.72 1.32 0.00 0.10 0.00 0.00 66.02 67.87 2yuv s SER 51 CO 0.25 -1.36 1.50 0.41 0.98 0.00 0.00 173.24 175.02 2yuv n THR 52 N -0.46 -0.35 -0.02 2.02 -1.04 -1.26 1.00 114.28 114.16 2yuv n THR 52 Ca -0.04 1.87 -0.13 0.00 -2.04 0.00 0.00 64.05 63.71 2yuv n THR 52 Cb 0.59 -3.04 -0.08 0.00 -1.82 0.00 0.00 70.33 65.98 2yuv n THR 52 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2yuv h LYS 53 N 0.00 0.11 -4.75 -2.82 3.64 -1.90 -3.42 116.57 107.43 2yuv h LYS 53 Ca 0.82 -0.05 -0.67 0.00 -1.27 0.00 0.00 60.65 59.48 2yuv h LYS 53 Cb 2.30 -0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 33.93 2yuv h LYS 53 CO -0.65 0.50 -0.49 0.71 -2.27 0.00 0.00 179.45 177.24 2yuv s TYR 54 N -4.54 3.22 -0.48 1.91 2.02 0.28 -1.03 117.35 118.73 2yuv s TYR 54 Ca -0.15 -0.19 -0.16 0.00 -0.37 0.00 0.00 57.07 56.20 2yuv s TYR 54 Cb 0.03 -2.45 0.07 0.00 -0.40 0.00 0.00 41.96 39.22 2yuv s TYR 54 CO 0.70 -0.34 0.43 0.42 -1.57 0.00 0.00 175.55 175.19 2yuv s ILE 55 N 1.72 5.18 -0.36 2.71 -1.09 0.29 -2.32 121.20 127.33 2yuv s ILE 55 Ca 0.06 -1.00 -0.20 0.00 -2.23 0.00 0.00 60.65 57.29 2yuv s ILE 55 Cb -0.17 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 2yuv s ILE 55 CO 0.10 -0.62 0.59 -0.36 -1.23 0.00 0.00 174.94 173.42 2yuv s PHE 56 N 1.78 3.15 -0.22 3.97 0.40 -1.26 -2.44 117.98 123.36 2yuv s PHE 56 Ca 0.06 0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.62 2yuv s PHE 56 Cb -0.24 -3.08 0.04 0.00 0.51 0.00 0.00 43.02 40.26 2yuv s PHE 56 CO 0.07 -0.63 -0.13 -1.21 0.70 0.00 0.00 175.22 174.03 2yuv s GLU 57 N 2.59 2.33 -0.21 0.44 0.41 -0.98 -5.01 118.70 118.27 2yuv s GLU 57 Ca 0.22 -1.05 -0.07 0.00 -0.41 0.00 0.00 54.97 53.66 2yuv s GLU 57 Cb -0.15 -2.65 -0.03 0.00 -1.78 0.00 0.00 34.13 29.52 2yuv s GLU 57 CO 0.15 -0.44 0.05 -1.58 -0.49 0.00 0.00 175.26 172.95 2yuv s HIS 58 N 1.25 3.13 -0.24 1.61 5.65 -1.26 -1.14 115.29 124.29 2yuv s HIS 58 Ca -0.03 -0.23 -0.03 0.00 0.25 0.00 0.00 55.06 55.02 2yuv s HIS 58 Cb -0.17 -2.15 0.08 0.00 -1.18 0.00 0.00 32.58 29.16 2yuv s HIS 58 CO -0.08 -0.14 0.09 0.15 -0.65 0.00 0.00 174.74 174.11 2yuv s LYS 59 N 1.03 0.36 4.09 2.88 1.02 -0.32 -5.02 119.74 123.77 2yuv s LYS 59 Ca 0.04 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.56 2yuv s LYS 59 Cb -0.14 -1.72 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 2yuv s LYS 59 CO 0.03 -0.82 0.00 0.41 -0.92 0.00 0.00 175.35 174.04 2yuv n GLY 60 N 5.14 0.87 1.26 -3.33 0.00 -1.26 -0.57 105.19 107.30 2yuv n GLY 60 Ca -0.06 0.57 -0.07 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.35 0.73 -0.13 0.00 0.74 0.26 -2.20 119.66 115.71 2yuv s GLN 62 Ca 0.45 -0.29 -0.00 0.00 0.05 0.00 0.00 55.36 55.58 2yuv s GLN 62 Cb 0.41 -0.71 0.02 0.00 1.10 0.00 0.00 33.01 33.83 2yuv s GLN 62 CO -0.01 0.15 -0.11 1.03 -0.55 0.00 0.00 175.29 175.80 2yuv s ARG 63 N -0.07 1.95 0.19 1.67 1.81 -0.94 -1.18 118.95 122.39 2yuv s ARG 63 Ca 0.01 -0.42 0.07 0.00 -1.72 0.00 0.00 55.73 53.67 2yuv s ARG 63 Cb -0.05 -1.87 -0.04 0.00 -0.45 0.00 0.00 34.95 32.54 2yuv s ARG 63 CO -0.00 -0.25 0.08 0.42 -0.68 0.00 0.00 175.30 174.87 2yuv s ILE 64 N 1.59 4.08 -0.14 1.52 1.09 -0.30 -0.85 121.20 128.19 2yuv s ILE 64 Ca 0.05 -1.34 -0.07 0.00 -1.10 0.00 0.00 60.65 58.18 2yuv s ILE 64 Cb -0.13 -3.10 0.05 0.00 -1.06 0.00 0.00 42.46 38.23 2yuv s ILE 64 CO -0.10 -0.17 0.33 -0.22 -0.10 0.00 0.00 174.94 174.69 2yuv s LEU 65 N -3.21 0.10 -0.09 2.97 1.98 0.57 -2.32 118.68 118.69 2yuv s LEU 65 Ca 0.30 0.72 0.03 0.00 -2.89 0.00 0.00 54.13 52.29 2yuv s LEU 65 Cb -0.09 1.06 0.01 0.00 0.66 0.00 0.00 46.19 47.82 2yuv s LEU 65 CO 0.21 -0.18 -0.18 -0.36 -1.89 0.00 0.00 176.35 173.95 2yuv s PHE 66 N 1.42 2.05 -0.28 5.38 0.08 -1.02 -0.19 117.98 125.41 2yuv s PHE 66 Ca -0.09 -0.83 -0.04 0.00 0.12 0.00 0.00 56.93 56.09 2yuv s PHE 66 Cb -0.10 -1.42 0.03 0.00 -0.57 0.00 0.00 43.02 40.96 2yuv s PHE 66 CO -0.11 -0.37 0.01 0.42 -0.10 0.00 0.00 175.22 175.07 2yuv s ILE 67 N 0.55 3.30 0.38 0.64 1.01 -1.23 -0.55 121.20 125.30 2yuv s ILE 67 Ca -0.16 -1.02 -0.10 0.00 0.00 0.00 0.00 60.65 59.38 2yuv s ILE 67 Cb -0.17 -2.75 -0.06 0.00 0.01 0.00 0.00 42.46 39.49 2yuv s ILE 67 CO 0.06 0.06 0.72 0.20 0.00 0.00 0.00 174.94 175.98 2yuv s ASN 68 N 1.37 6.52 -0.52 3.58 0.01 -0.20 -2.82 114.94 122.88 2yuv s ASN 68 Ca -0.00 1.06 -0.02 0.00 -0.71 0.00 0.00 52.86 53.18 2yuv s ASN 68 Cb -0.18 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.20 2yuv s ASN 68 CO -0.01 -0.35 0.44 -3.20 -1.51 0.00 0.00 177.10 172.48 2yuv n ASN 69 N -1.16 -3.14 -4.57 -1.22 2.85 -0.61 -4.89 115.26 102.52 2yuv n ASN 69 Ca 0.02 -0.22 -0.40 0.00 -0.11 0.00 0.00 54.58 53.86 2yuv n ASN 69 Cb 0.54 -2.31 -0.03 0.00 1.24 0.00 0.00 39.78 39.22 2yuv n ASN 69 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2yuv s GLN 71 N 6.59 1.79 0.47 0.00 0.74 -1.26 0.19 119.66 128.17 2yuv s GLN 71 Ca 0.74 -1.93 0.29 0.00 0.05 0.00 0.00 55.36 54.52 2yuv s GLN 71 Cb -0.17 -1.62 1.37 0.00 1.10 0.00 0.00 33.01 33.70 2yuv s GLN 71 CO 0.26 0.11 1.74 1.98 -0.55 0.00 0.00 175.29 178.83 2yuv h MET 72 N 2.04 0.16 0.00 1.67 -1.53 -1.90 1.12 114.93 116.49 2yuv h MET 72 Ca -0.42 -0.01 -0.13 0.00 -3.44 0.00 0.00 59.70 55.70 2yuv h MET 72 Cb 1.25 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 32.24 2yuv h MET 72 CO 0.71 0.11 -0.62 1.79 0.14 0.00 0.00 176.91 179.03 2yuv h THR 73 N 0.17 1.38 -0.21 -0.77 1.35 -1.96 -3.14 112.91 109.72 2yuv h THR 73 Ca 0.65 -2.18 -0.17 0.00 -0.55 0.00 0.00 66.41 64.16 2yuv h THR 73 Cb 2.14 2.20 -0.00 0.00 -1.73 0.00 0.00 68.15 70.76 2yuv h THR 73 CO -0.20 0.61 -0.57 0.44 -0.25 0.00 0.00 175.52 175.54 2yuv h ASP 74 N 0.00 0.73 -0.11 5.36 5.19 0.95 -3.42 116.42 125.12 2yuv h ASP 74 Ca -0.01 -0.40 -0.32 0.00 -0.62 0.00 0.00 57.03 55.68 2yuv h ASP 74 Cb 1.15 -0.21 -0.09 0.00 0.18 0.00 0.00 39.33 40.36 2yuv h ASP 74 CO 0.08 1.15 1.64 -0.67 -3.12 0.00 0.00 179.24 178.32 2yuv n ASP 75 N -3.96 -0.54 -4.28 6.45 2.03 -0.82 -4.83 116.55 110.60 2yuv n ASP 75 Ca -0.04 -0.61 -0.15 0.00 0.52 0.00 0.00 54.79 54.51 2yuv n ASP 75 Cb 0.63 -0.81 -0.10 0.00 -0.72 0.00 0.00 41.12 40.11 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 3.54 1.79 -0.56 1.67 0.01 -1.26 -4.96 113.70 113.93 2yuv s SER 76 Ca 1.25 -1.09 -0.28 0.00 1.31 0.00 0.00 55.95 57.13 2yuv s SER 76 Cb -0.76 0.00 0.03 0.00 0.21 0.00 0.00 66.02 65.50 2yuv s SER 76 CO 0.47 -0.40 1.20 -0.70 0.41 0.00 0.00 173.24 174.21 2yuv s GLU 77 N -3.79 3.54 0.15 12.44 2.12 -1.26 -3.97 118.70 127.93 2yuv s GLU 77 Ca 0.21 0.32 -0.12 0.00 0.36 0.00 0.00 54.97 55.74 2yuv s GLU 77 Cb 0.04 -4.00 -0.07 0.00 0.26 0.00 0.00 34.13 30.36 2yuv s GLU 77 CO 0.04 -1.65 0.51 0.71 -0.54 0.00 0.00 175.26 174.33 2yuv s TYR 78 N 4.94 3.56 -0.20 5.30 2.02 -0.93 -2.83 117.35 129.22 2yuv s TYR 78 Ca 0.45 0.96 -0.13 0.00 -0.37 0.00 0.00 57.07 57.97 2yuv s TYR 78 Cb -0.08 -2.30 0.06 0.00 -0.40 0.00 0.00 41.96 39.25 2yuv s TYR 78 CO 0.27 0.42 0.49 1.52 -1.57 0.00 0.00 175.55 176.67 2yuv s TYR 79 N -1.52 -0.68 0.08 2.71 1.13 -1.13 -0.15 117.35 117.78 2yuv s TYR 79 Ca 0.39 1.48 0.05 0.00 -1.41 0.00 0.00 57.07 57.58 2yuv s TYR 79 Cb -0.14 0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 41.00 2yuv s TYR 79 CO 0.19 -0.36 -0.04 0.54 -2.51 0.00 0.00 175.55 173.37 2yuv s VAL 80 N 1.15 3.77 -0.04 -3.49 0.11 -0.84 -2.43 120.40 118.62 2yuv s VAL 80 Ca -0.07 -1.05 0.06 0.00 -2.93 0.00 0.00 61.98 57.99 2yuv s VAL 80 Cb -0.06 -2.77 -0.01 0.00 -1.53 0.00 0.00 36.38 32.01 2yuv s VAL 80 CO -0.11 0.15 -0.24 0.42 -3.33 0.00 0.00 175.10 172.00 2yuv s THR 81 N -1.24 1.92 -0.22 5.04 -4.23 -0.94 -2.26 115.64 113.70 2yuv s THR 81 Ca 0.23 -1.01 -0.03 0.00 -1.18 0.00 0.00 61.69 59.70 2yuv s THR 81 Cb -0.11 -1.61 0.10 0.00 1.34 0.00 0.00 72.50 72.22 2yuv s THR 81 CO 0.15 0.54 0.25 0.00 -0.54 0.00 0.00 174.62 175.02 2yuv s ALA 82 N -0.27 -0.37 0.00 3.99 0.00 0.10 -2.48 121.76 122.73 2yuv s ALA 82 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2yuv s ALA 82 Cb -0.12 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2yuv s ALA 82 CO 0.02 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 174.88 2yuv n GLY 83 N 5.32 1.40 0.07 0.00 0.00 -1.26 -1.98 105.19 108.74 2yuv n GLY 83 Ca -0.05 0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.11 2yuv n GLY 83 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2yuv n ASP 84 N 9.72 1.96 -4.40 1.61 -0.08 -1.26 -5.03 116.55 119.07 2yuv n ASP 84 Ca 0.00 -1.87 -0.22 0.00 -1.51 0.00 0.00 54.79 51.20 2yuv n ASP 84 Cb 0.00 -0.02 -0.10 0.00 2.34 0.00 0.00 41.12 43.33 2yuv n ASP 84 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2yuv s GLU 85 N -0.87 1.47 -0.17 -0.67 0.41 -0.84 -5.08 118.70 112.95 2yuv s GLU 85 Ca 0.02 -1.63 -0.29 0.00 -0.41 0.00 0.00 54.97 52.67 2yuv s GLU 85 Cb 0.01 -1.46 0.11 0.00 -1.78 0.00 0.00 34.13 31.01 2yuv s GLU 85 CO 0.02 0.27 0.90 -1.59 -0.49 0.00 0.00 175.26 174.37 2yuv s LYS 86 N -3.40 0.71 0.35 1.61 -2.85 -1.26 -0.72 119.74 114.18 2yuv s LYS 86 Ca 0.24 0.36 0.03 0.00 -1.00 0.00 0.00 55.97 55.61 2yuv s LYS 86 Cb -0.04 0.34 -0.05 0.00 -2.06 0.00 0.00 37.83 36.02 2yuv s LYS 86 CO 0.10 -0.18 0.08 0.00 0.10 0.00 0.00 175.35 175.45 2yuv s SER 88 N -3.51 0.13 0.08 0.00 1.04 -1.26 -1.99 113.70 108.18 2yuv s SER 88 Ca 0.32 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.40 2yuv s SER 88 Cb 0.07 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2yuv s SER 88 CO 0.15 -0.37 -0.07 0.28 0.98 0.00 0.00 173.24 174.21 2yuv s THR 89 N -1.62 0.62 -0.16 2.02 -1.32 0.78 -4.86 115.64 111.10 2yuv s THR 89 Ca -0.14 -1.62 -0.03 0.00 -1.21 0.00 0.00 61.69 58.70 2yuv s THR 89 Cb -0.07 -1.28 -0.02 0.00 -1.51 0.00 0.00 72.50 69.62 2yuv s THR 89 CO -0.00 -0.69 -0.06 -1.61 -2.21 0.00 0.00 174.62 170.04 2yuv s GLU 90 N -3.00 3.55 -0.22 7.08 8.01 -1.26 -2.18 118.70 130.67 2yuv s GLU 90 Ca 0.04 -0.58 -0.13 0.00 0.01 0.00 0.00 54.97 54.30 2yuv s GLU 90 Cb -0.00 -2.87 -0.04 0.00 -4.31 0.00 0.00 34.13 26.90 2yuv s GLU 90 CO -0.03 0.15 0.29 -1.17 0.01 0.00 0.00 175.26 174.50 2yuv s LEU 91 N 0.59 4.13 -0.48 1.80 1.98 -1.25 -0.46 118.68 124.98 2yuv s LEU 91 Ca -0.04 0.31 0.01 0.00 -2.89 0.00 0.00 54.13 51.53 2yuv s LEU 91 Cb -0.15 -2.32 0.13 0.00 0.66 0.00 0.00 46.19 44.51 2yuv s LEU 91 CO 0.03 -0.02 0.25 -0.36 -1.89 0.00 0.00 176.35 174.35 2yuv s PHE 92 N 1.26 3.45 -0.33 5.38 0.08 -0.56 -4.55 117.98 122.71 2yuv s PHE 92 Ca 0.13 -2.89 -0.22 0.00 0.12 0.00 0.00 56.93 54.08 2yuv s PHE 92 Cb -0.14 -3.01 -0.00 0.00 -0.57 0.00 0.00 43.02 39.29 2yuv s PHE 92 CO 0.07 -0.86 0.69 0.54 -0.10 0.00 0.00 175.22 175.56 2yuv s VAL 93 N 0.29 4.86 1.05 -0.44 0.11 -1.26 -2.22 120.40 122.80 2yuv s VAL 93 Ca 0.14 0.88 -0.12 0.00 -2.93 0.00 0.00 61.98 59.94 2yuv s VAL 93 Cb -0.22 -4.09 0.22 0.00 -1.53 0.00 0.00 36.38 30.76 2yuv s VAL 93 CO -0.03 -0.25 1.07 -0.13 -3.33 0.00 0.00 175.10 172.42 2yuv s ARG 94 N 2.79 -0.02 -0.52 1.54 1.81 0.13 -4.77 118.95 119.91 2yuv s ARG 94 Ca 0.28 0.63 -0.02 0.00 -1.72 0.00 0.00 55.73 54.89 2yuv s ARG 94 Cb -0.14 -1.68 0.28 0.00 -0.45 0.00 0.00 34.95 32.96 2yuv s ARG 94 CO 0.13 -3.06 2.16 -1.13 -0.68 0.00 0.00 175.30 172.72 2yuv n SER 95 N -4.42 7.02 -4.78 0.23 3.41 -1.26 -2.63 113.62 111.18 2yuv n SER 95 Ca 0.04 -3.43 -0.37 0.00 -0.26 0.00 0.00 58.87 54.86 2yuv n SER 95 Cb 0.56 -1.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.38 2yuv n SER 95 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yuv s GLY 96 N -0.62 2.77 0.50 5.00 0.00 -1.26 -4.94 107.32 108.77 2yuv s GLY 96 Ca 0.50 0.49 0.29 0.00 0.00 0.00 0.00 44.72 45.99 2yuv s GLY 96 CO -0.09 0.92 1.94 -0.56 0.00 0.00 0.00 173.10 175.30 2yuv h PRO 97 N 3.15 0.00 -4.36 2.90 0.13 -1.93 -3.32 132.00 128.56 2yuv h PRO 97 Ca -0.47 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.04 2yuv h PRO 97 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2yuv h PRO 97 CO 0.65 0.12 0.58 0.45 -0.23 0.00 0.00 178.00 179.57 2yuv n SER 98 N -3.30 0.82 -4.59 1.44 2.88 -1.26 -4.92 113.62 104.69 2yuv n SER 98 Ca -0.00 0.80 -0.25 0.00 -1.33 0.00 0.00 58.87 58.09 2yuv n SER 98 Cb 0.34 -0.64 -0.09 0.00 -0.75 0.00 0.00 64.21 63.07 2yuv n SER 98 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yuv s SER 99 N 2.58 3.97 0.00 -3.46 0.15 -1.26 -4.48 113.70 111.20 2yuv s SER 99 Ca 0.78 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2yuv s SER 99 Cb -1.09 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 2yuv s SER 99 CO 0.57 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.42