#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 6.86 -0.06 1.61 1.04 -1.26 -5.03 113.70 116.86 2yuv s SER 2 Ca 0.00 2.57 -0.24 0.00 0.48 0.00 0.00 55.95 58.76 2yuv s SER 2 Cb 0.00 -2.64 0.05 0.00 0.10 0.00 0.00 66.02 63.54 2yuv s SER 2 CO 0.00 -0.49 0.54 -0.44 0.98 0.00 0.00 173.24 173.83 2yuv s SER 3 N -0.31 -0.49 0.00 7.02 0.01 -1.26 -5.15 113.70 113.52 2yuv s SER 3 Ca 0.51 0.57 0.00 0.00 1.31 0.00 0.00 55.95 58.34 2yuv s SER 3 Cb -0.38 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.41 2yuv s SER 3 CO 0.47 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2yuv n GLY 4 N 1.32 2.58 3.58 3.44 0.00 -1.26 -5.00 105.19 109.85 2yuv n GLY 4 Ca -0.19 -1.95 -0.52 0.00 0.00 0.00 0.00 46.02 43.36 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 1.50 -1.82 1.61 7.64 -1.26 -4.81 113.62 116.49 2yuv n SER 5 Ca 0.00 1.12 -0.10 0.00 1.01 0.00 0.00 58.87 60.90 2yuv n SER 5 Cb 0.00 -1.17 -0.03 0.00 -1.01 0.00 0.00 64.21 62.00 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 2.42 5.79 0.00 6.43 7.64 -1.26 -4.91 113.62 129.72 2yuv n SER 6 Ca 0.18 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.36 2yuv n SER 6 Cb 0.19 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 2yuv n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuv n GLY 7 N 1.27 0.41 3.03 0.23 0.00 -1.26 -4.75 105.19 104.12 2yuv n GLY 7 Ca 0.22 0.67 -0.15 0.00 0.00 0.00 0.00 46.02 46.76 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 4.34 -1.51 0.11 4.61 0.00 -1.26 -4.91 120.51 121.89 2yuv n ALA 8 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.50 2yuv n ALA 8 Cb 0.00 -2.67 0.37 0.00 0.00 0.00 0.00 19.45 17.15 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 0.76 1.46 -2.37 0.00 0.00 -1.85 -3.41 119.26 113.85 2yuv h ALA 9 Ca -0.48 -0.22 -0.63 0.00 0.00 0.00 0.00 54.91 53.58 2yuv h ALA 9 Cb 1.28 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 2yuv h ALA 9 CO 0.42 0.38 0.11 -0.06 0.00 0.00 0.00 179.25 180.10 2yuv s PHE 10 N -4.69 3.17 -0.07 0.00 0.08 -1.26 -0.00 117.98 115.22 2yuv s PHE 10 Ca -0.05 0.40 0.18 0.00 0.12 0.00 0.00 56.93 57.57 2yuv s PHE 10 Cb 0.15 -3.06 0.34 0.00 -0.57 0.00 0.00 43.02 39.89 2yuv s PHE 10 CO 0.74 -0.56 1.57 0.00 -0.10 0.00 0.00 175.22 176.87 2yuv h ALA 11 N 8.38 0.81 -2.22 5.36 0.00 -1.43 -3.43 119.26 126.72 2yuv h ALA 11 Ca -0.27 -0.37 -0.26 0.00 0.00 0.00 0.00 54.91 54.02 2yuv h ALA 11 Cb 1.12 -0.06 -0.33 0.00 0.00 0.00 0.00 17.79 18.51 2yuv h ALA 11 CO 0.81 0.50 -0.58 0.21 0.00 0.00 0.00 179.25 180.20 2yuv s LYS 12 N -3.21 0.27 0.66 0.00 2.47 -1.19 -4.89 119.74 113.85 2yuv s LYS 12 Ca 0.03 0.25 -0.11 0.00 -1.56 0.00 0.00 55.97 54.58 2yuv s LYS 12 Cb 0.08 -0.85 -0.01 0.00 -1.46 0.00 0.00 37.83 35.60 2yuv s LYS 12 CO 0.71 -0.73 1.05 0.96 0.16 0.00 0.00 175.35 177.50 2yuv s ILE 13 N 2.41 4.03 0.60 5.43 -4.36 -1.26 -1.62 121.20 126.43 2yuv s ILE 13 Ca 0.09 0.59 -0.17 0.00 -0.26 0.00 0.00 60.65 60.91 2yuv s ILE 13 Cb -0.15 -3.64 -0.03 0.00 1.25 0.00 0.00 42.46 39.88 2yuv s ILE 13 CO -0.18 -0.83 1.09 -0.76 0.24 0.00 0.00 174.94 174.51 2yuv s LEU 14 N -5.24 3.55 0.78 0.37 1.43 -1.26 -4.94 118.68 113.36 2yuv s LEU 14 Ca 0.56 1.99 -0.15 0.00 -1.03 0.00 0.00 54.13 55.50 2yuv s LEU 14 Cb -0.11 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.56 2yuv s LEU 14 CO 0.52 -1.33 0.71 0.47 0.23 0.00 0.00 176.35 176.95 2yuv n ASP 15 N -1.90 -0.66 0.04 2.29 9.92 -1.26 -4.86 116.55 120.12 2yuv n ASP 15 Ca 0.10 0.56 0.08 0.00 -0.53 0.00 0.00 54.79 55.00 2yuv n ASP 15 Cb 0.52 -1.30 0.36 0.00 -0.64 0.00 0.00 41.12 40.06 2yuv n ASP 15 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2yuv n PRO 16 N -1.56 0.06 -3.65 -0.24 -0.04 -1.26 -4.56 135.00 123.76 2yuv n PRO 16 Ca 0.11 0.31 -0.00 0.00 -0.04 0.00 0.00 63.50 63.87 2yuv n PRO 16 Cb 0.51 -1.62 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 2yuv n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yuv s ALA 17 N -3.10 -2.46 0.31 0.55 0.00 -1.26 -4.08 121.76 111.72 2yuv s ALA 17 Ca 0.06 2.03 0.08 0.00 0.00 0.00 0.00 51.96 54.13 2yuv s ALA 17 Cb 0.09 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 2yuv s ALA 17 CO 0.30 -0.30 0.16 0.71 0.00 0.00 0.00 175.76 176.63 2yuv s TYR 18 N 1.02 2.82 -0.14 0.00 1.51 0.22 -4.97 117.35 117.80 2yuv s TYR 18 Ca -0.07 -0.29 -0.06 0.00 -1.01 0.00 0.00 57.07 55.64 2yuv s TYR 18 Cb -0.03 -1.56 0.06 0.00 -0.11 0.00 0.00 41.96 40.32 2yuv s TYR 18 CO -0.12 0.38 0.31 -0.65 -1.11 0.00 0.00 175.55 174.36 2yuv s GLN 19 N -3.85 0.23 0.07 -0.62 -0.21 -1.26 -1.49 119.66 112.53 2yuv s GLN 19 Ca 0.37 0.76 -0.03 0.00 0.02 0.00 0.00 55.36 56.48 2yuv s GLN 19 Cb -0.05 0.02 -0.03 0.00 1.00 0.00 0.00 33.01 33.95 2yuv s GLN 19 CO 0.23 -0.23 0.03 0.54 -2.12 0.00 0.00 175.29 173.74 2yuv s VAL 20 N 2.01 0.19 0.49 1.09 0.11 -0.93 -5.00 120.40 118.37 2yuv s VAL 20 Ca -0.04 -1.68 -0.19 0.00 -2.93 0.00 0.00 61.98 57.14 2yuv s VAL 20 Cb -0.11 -1.53 -0.08 0.00 -1.53 0.00 0.00 36.38 33.12 2yuv s VAL 20 CO -0.10 -0.87 1.02 -1.81 -3.33 0.00 0.00 175.10 170.01 2yuv s ASP 21 N -2.92 6.42 0.79 3.54 1.01 -1.26 -0.91 116.67 123.34 2yuv s ASP 21 Ca 0.08 1.82 -0.15 0.00 0.71 0.00 0.00 52.55 55.01 2yuv s ASP 21 Cb 0.07 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.43 2yuv s ASP 21 CO -0.09 -0.72 0.43 1.17 0.21 0.00 0.00 175.17 176.17 2yuv n LYS 22 N -1.12 0.12 -3.40 8.23 4.81 -1.05 -1.72 118.16 124.04 2yuv n LYS 22 Ca 0.08 0.08 -0.20 0.00 -0.87 0.00 0.00 58.31 57.41 2yuv n LYS 22 Cb 0.53 -1.79 -0.04 0.00 0.02 0.00 0.00 35.03 33.75 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 1.70 -0.44 0.00 3.14 0.00 0.49 -4.82 105.19 105.25 2yuv n GLY 23 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.75 2.78 2.96 -0.02 0.00 -0.70 -4.47 105.19 105.00 2yuv n GLY 24 Ca 0.05 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 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 3.97 0.13 0.39 1.61 3.52 -1.26 -1.32 118.95 125.99 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 -0.15 -0.02 0.00 -1.56 0.00 0.00 34.95 33.22 2yuv s ARG 25 CO 0.00 -0.21 0.59 0.14 -0.81 0.00 0.00 175.30 175.01 2yuv s VAL 26 N 1.64 4.52 -0.23 7.11 -7.23 -1.19 -4.93 120.40 120.09 2yuv s VAL 26 Ca -0.05 -0.54 -0.01 0.00 -1.81 0.00 0.00 61.98 59.57 2yuv s VAL 26 Cb -0.11 -3.65 0.07 0.00 0.56 0.00 0.00 36.38 33.25 2yuv s VAL 26 CO -0.07 -0.42 0.01 -0.60 -0.31 0.00 0.00 175.10 173.71 2yuv s ARG 27 N -4.40 1.10 -0.29 4.82 3.52 -1.26 -3.39 118.95 119.05 2yuv s ARG 27 Ca 0.44 -0.82 -0.07 0.00 -0.13 0.00 0.00 55.73 55.15 2yuv s ARG 27 Cb -0.10 -2.33 -0.00 0.00 -1.56 0.00 0.00 34.95 30.96 2yuv s ARG 27 CO 0.36 -0.69 0.09 -0.06 -0.81 0.00 0.00 175.30 174.19 2yuv s PHE 28 N 1.59 3.14 -0.03 5.12 0.08 -0.14 -4.97 117.98 122.77 2yuv s PHE 28 Ca -0.01 -0.80 0.06 0.00 0.12 0.00 0.00 56.93 56.30 2yuv s PHE 28 Cb -0.18 -2.27 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 2yuv s PHE 28 CO -0.10 -0.52 -0.19 0.08 -0.10 0.00 0.00 175.22 174.39 2yuv s VAL 29 N 1.54 2.61 -0.01 -0.44 1.01 -1.26 -0.45 120.40 123.40 2yuv s VAL 29 Ca 0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 2yuv s VAL 29 Cb -0.17 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.23 2yuv s VAL 29 CO 0.03 0.58 0.07 0.68 0.00 0.00 0.00 175.10 176.47 2yuv s VAL 30 N -0.68 0.04 0.14 2.92 -7.23 -0.84 -4.44 120.40 110.31 2yuv s VAL 30 Ca 0.11 -0.33 0.06 0.00 -1.81 0.00 0.00 61.98 60.00 2yuv s VAL 30 Cb -0.10 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.58 2yuv s VAL 30 CO -0.00 -0.18 0.06 -0.70 -0.31 0.00 0.00 175.10 173.96 2yuv s GLU 31 N -0.57 2.66 -0.13 4.82 2.12 -0.64 -1.27 118.70 125.69 2yuv s GLU 31 Ca -0.06 -0.93 -0.00 0.00 0.36 0.00 0.00 54.97 54.33 2yuv s GLU 31 Cb -0.04 -2.53 0.03 0.00 0.26 0.00 0.00 34.13 31.85 2yuv s GLU 31 CO 0.00 0.49 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.62 2yuv s LEU 32 N -2.82 1.41 0.45 2.70 1.43 -1.15 -1.33 118.68 119.37 2yuv s LEU 32 Ca 0.29 -0.44 0.37 0.00 -1.03 0.00 0.00 54.13 53.31 2yuv s LEU 32 Cb -0.10 -0.93 1.49 0.00 0.03 0.00 0.00 46.19 46.67 2yuv s LEU 32 CO 0.21 -0.12 1.46 0.00 0.23 0.00 0.00 176.35 178.12 2yuv n ALA 33 N 4.89 1.48 -3.30 4.21 0.00 1.00 -4.35 120.51 124.43 2yuv n ALA 33 Ca -0.13 0.74 -0.14 0.00 0.00 0.00 0.00 53.44 53.91 2yuv n ALA 33 Cb 0.49 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 2yuv n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yuv s ASP 34 N -4.12 -0.37 0.20 0.00 1.01 -1.26 -5.02 116.67 107.10 2yuv s ASP 34 Ca -0.06 0.58 0.21 0.00 0.71 0.00 0.00 52.55 54.00 2yuv s ASP 34 Cb 0.27 0.65 0.90 0.00 1.01 0.00 0.00 42.92 45.75 2yuv s ASP 34 CO 0.79 -0.28 1.65 -0.81 0.21 0.00 0.00 175.17 176.73 2yuv n PRO 35 N 2.18 0.15 -0.33 8.23 -0.04 -1.26 -2.97 135.00 140.96 2yuv n PRO 35 Ca -0.16 0.39 -0.03 0.00 -0.04 0.00 0.00 63.50 63.65 2yuv n PRO 35 Cb 0.57 -1.79 0.11 0.00 -0.04 0.00 0.00 33.50 32.36 2yuv n PRO 35 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2yuv h LYS 36 N 0.00 1.24 -7.33 0.54 1.79 -1.95 -3.43 116.57 107.42 2yuv h LYS 36 Ca 0.00 -0.12 -0.49 0.00 -2.18 0.00 0.00 60.65 57.86 2yuv h LYS 36 Cb 0.33 -0.25 0.14 0.00 -1.58 0.00 0.00 32.23 30.87 2yuv h LYS 36 CO 0.00 0.88 0.27 -0.51 -1.08 0.00 0.00 179.45 179.00 2yuv s LEU 37 N -9.94 2.43 0.47 2.94 1.43 -1.16 -5.07 118.68 109.78 2yuv s LEU 37 Ca -0.12 1.56 0.07 0.00 -1.03 0.00 0.00 54.13 54.60 2yuv s LEU 37 Cb 0.17 -4.04 -0.00 0.00 0.03 0.00 0.00 46.19 42.35 2yuv s LEU 37 CO 0.82 -2.50 0.35 -1.61 0.23 0.00 0.00 176.35 173.64 2yuv s GLU 38 N -4.93 2.35 0.04 1.70 8.01 -1.26 -4.96 118.70 119.66 2yuv s GLU 38 Ca 0.63 -1.79 0.01 0.00 0.01 0.00 0.00 54.97 53.83 2yuv s GLU 38 Cb -0.18 -2.19 -0.03 0.00 -4.31 0.00 0.00 34.13 27.43 2yuv s GLU 38 CO 0.57 -0.35 -0.06 0.14 0.01 0.00 0.00 175.26 175.57 2yuv s VAL 39 N -2.62 0.39 -0.20 2.63 -7.23 -1.26 -3.92 120.40 108.19 2yuv s VAL 39 Ca 0.41 -1.21 -0.08 0.00 -1.81 0.00 0.00 61.98 59.29 2yuv s VAL 39 Cb -0.01 -0.73 0.08 0.00 0.56 0.00 0.00 36.38 36.28 2yuv s VAL 39 CO 0.24 -0.55 0.45 -0.54 -0.31 0.00 0.00 175.10 174.39 2yuv s LYS 40 N -2.08 0.39 -0.12 4.82 1.02 -1.00 -4.97 119.74 117.80 2yuv s LYS 40 Ca -0.07 1.00 -0.14 0.00 0.02 0.00 0.00 55.97 56.78 2yuv s LYS 40 Cb -0.06 0.25 -0.05 0.00 -0.52 0.00 0.00 37.83 37.45 2yuv s LYS 40 CO -0.02 -0.21 0.34 -1.58 -0.92 0.00 0.00 175.35 172.96 2yuv s TRP 41 N 2.19 3.53 0.06 3.18 0.52 -1.26 -2.43 118.94 124.74 2yuv s TRP 41 Ca -0.05 0.72 0.07 0.00 0.02 0.00 0.00 56.10 56.86 2yuv s TRP 41 Cb -0.10 -2.35 -0.03 0.00 -1.15 0.00 0.00 33.47 29.84 2yuv s TRP 41 CO -0.14 0.33 -0.18 0.71 0.02 0.00 0.00 176.95 177.69 2yuv s TYR 42 N 0.12 1.57 -0.30 -1.98 1.51 -0.97 -1.82 117.35 115.47 2yuv s TYR 42 Ca 0.20 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.85 2yuv s TYR 42 Cb -0.14 -0.90 0.10 0.00 -0.11 0.00 0.00 41.96 40.90 2yuv s TYR 42 CO 0.07 0.11 0.10 0.21 -1.11 0.00 0.00 175.55 174.93 2yuv s LYS 43 N -1.47 0.60 -0.47 -0.62 2.20 0.12 -2.76 119.74 117.34 2yuv s LYS 43 Ca 0.04 -0.94 -0.03 0.00 -0.36 0.00 0.00 55.97 54.68 2yuv s LYS 43 Cb -0.09 -1.82 0.00 0.00 -1.51 0.00 0.00 37.83 34.41 2yuv s LYS 43 CO 0.02 -0.98 0.39 -1.71 -0.36 0.00 0.00 175.35 172.71 2yuv n ASN 44 N 4.94 -3.47 -1.73 1.43 2.85 -1.24 -3.50 115.26 114.54 2yuv n ASN 44 Ca -0.03 -0.18 -0.11 0.00 -0.11 0.00 0.00 54.58 54.15 2yuv n ASN 44 Cb 0.42 -2.05 0.03 0.00 1.24 0.00 0.00 39.78 39.41 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 -1.02 0.16 3.09 8.20 0.00 -1.26 -5.04 105.19 109.33 2yuv n GLY 45 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.30 0.25 0.14 1.61 -0.21 -1.23 -5.14 119.66 109.79 2yuv s GLN 46 Ca 0.20 0.31 -0.31 0.00 0.02 0.00 0.00 55.36 55.58 2yuv s GLN 46 Cb -0.09 0.11 -0.08 0.00 1.00 0.00 0.00 33.01 33.95 2yuv s GLN 46 CO 0.25 -0.04 1.37 -2.00 -2.12 0.00 0.00 175.29 172.75 2yuv s GLU 47 N 0.16 4.34 -0.07 2.91 2.12 -1.26 -0.71 118.70 126.19 2yuv s GLU 47 Ca -0.00 2.07 -0.22 0.00 0.36 0.00 0.00 54.97 57.18 2yuv s GLU 47 Cb -0.02 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 2yuv s GLU 47 CO -0.00 -0.38 0.63 0.42 -0.54 0.00 0.00 175.26 175.38 2yuv s ILE 48 N 0.81 5.07 -0.02 -3.70 1.01 -0.76 -4.89 121.20 118.72 2yuv s ILE 48 Ca 0.62 1.29 -0.06 0.00 0.00 0.00 0.00 60.65 62.50 2yuv s ILE 48 Cb -0.37 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 2yuv s ILE 48 CO 0.33 0.29 0.23 -0.13 0.00 0.00 0.00 174.94 175.66 2yuv s ARG 49 N 0.65 3.54 -0.07 2.79 0.52 -1.26 -4.87 118.95 120.25 2yuv s ARG 49 Ca 0.34 -0.12 -0.30 0.00 -0.52 0.00 0.00 55.73 55.13 2yuv s ARG 49 Cb -0.17 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.15 2yuv s ARG 49 CO 0.16 0.68 1.50 -1.25 0.02 0.00 0.00 175.30 176.41 2yuv s PRO 50 N -1.64 4.21 0.32 3.54 0.04 -1.26 -4.60 135.00 135.61 2yuv s PRO 50 Ca 0.25 2.01 -0.18 0.00 0.04 0.00 0.00 61.00 63.12 2yuv s PRO 50 Cb -0.13 -3.84 0.03 0.00 0.04 0.00 0.00 34.50 30.60 2yuv s PRO 50 CO 0.14 -0.76 0.73 -1.12 0.04 0.00 0.00 177.00 176.03 2yuv s SER 51 N 2.68 -0.12 0.59 6.66 0.01 -0.89 -4.94 113.70 117.70 2yuv s SER 51 Ca 0.67 -0.86 0.31 0.00 1.31 0.00 0.00 55.95 57.38 2yuv s SER 51 Cb -0.30 0.77 1.17 0.00 0.21 0.00 0.00 66.02 67.86 2yuv s SER 51 CO 0.25 -1.47 1.46 0.74 0.41 0.00 0.00 173.24 174.64 2yuv h THR 52 N 2.02 0.08 0.06 1.44 2.02 -1.99 0.63 112.91 117.17 2yuv h THR 52 Ca -0.25 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.80 2yuv h THR 52 Cb 1.25 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2yuv h THR 52 CO 0.31 0.00 -0.68 0.50 0.37 0.00 0.00 175.52 176.02 2yuv h LYS 53 N 0.00 0.13 -4.82 6.66 3.64 -1.90 -3.43 116.57 116.86 2yuv h LYS 53 Ca 0.52 -0.23 -0.66 0.00 -1.27 0.00 0.00 60.65 59.01 2yuv h LYS 53 Cb 2.75 0.08 -0.19 0.00 -0.41 0.00 0.00 32.23 34.46 2yuv h LYS 53 CO -0.01 1.11 -0.52 0.71 -2.27 0.00 0.00 179.45 178.47 2yuv s TYR 54 N -2.35 3.20 -0.31 1.91 2.02 0.22 -1.50 117.35 120.55 2yuv s TYR 54 Ca -0.19 -0.16 -0.07 0.00 -0.37 0.00 0.00 57.07 56.28 2yuv s TYR 54 Cb 0.01 -2.40 0.01 0.00 -0.40 0.00 0.00 41.96 39.18 2yuv s TYR 54 CO 0.73 -0.30 0.09 0.42 -1.57 0.00 0.00 175.55 174.92 2yuv s ILE 55 N 1.71 3.96 -0.21 2.71 -1.09 -0.43 -2.09 121.20 125.76 2yuv s ILE 55 Ca 0.06 -0.77 -0.14 0.00 -2.23 0.00 0.00 60.65 57.57 2yuv s ILE 55 Cb -0.17 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 2yuv s ILE 55 CO 0.09 0.02 0.33 -0.36 -1.23 0.00 0.00 174.94 173.80 2yuv s PHE 56 N 1.49 3.35 -0.04 3.97 0.40 -1.26 -2.18 117.98 123.71 2yuv s PHE 56 Ca 0.02 0.50 -0.01 0.00 -0.60 0.00 0.00 56.93 56.84 2yuv s PHE 56 Cb -0.18 -2.45 0.03 0.00 0.51 0.00 0.00 43.02 40.93 2yuv s PHE 56 CO 0.03 0.01 0.03 -1.21 0.70 0.00 0.00 175.22 174.77 2yuv s GLU 57 N 1.26 0.17 -0.29 0.44 0.41 -0.51 -4.99 118.70 115.19 2yuv s GLU 57 Ca 0.16 0.21 -0.09 0.00 -0.41 0.00 0.00 54.97 54.84 2yuv s GLU 57 Cb -0.14 -0.55 -0.02 0.00 -1.78 0.00 0.00 34.13 31.64 2yuv s GLU 57 CO 0.07 -0.24 0.13 -1.58 -0.49 0.00 0.00 175.26 173.15 2yuv s HIS 58 N 1.62 3.15 -0.51 1.61 5.65 -1.26 -0.17 115.29 125.39 2yuv s HIS 58 Ca -0.02 -0.47 0.03 0.00 0.25 0.00 0.00 55.06 54.85 2yuv s HIS 58 Cb -0.13 -2.32 0.14 0.00 -1.18 0.00 0.00 32.58 29.10 2yuv s HIS 58 CO -0.03 -0.40 0.30 0.15 -0.65 0.00 0.00 174.74 174.11 2yuv s LYS 59 N 1.62 1.66 -0.12 2.88 -0.14 -0.15 -4.96 119.74 120.54 2yuv s LYS 59 Ca 0.05 -2.43 -0.08 0.00 -1.36 0.00 0.00 55.97 52.15 2yuv s LYS 59 Cb -0.16 -2.71 0.03 0.00 -1.68 0.00 0.00 37.83 33.30 2yuv s LYS 59 CO 0.06 -1.19 0.16 0.41 -0.76 0.00 0.00 175.35 174.02 2yuv n GLY 60 N 3.07 -3.27 3.78 -3.33 0.00 -1.26 -3.42 105.19 100.75 2yuv n GLY 60 Ca 0.12 1.15 -0.25 0.00 0.00 0.00 0.00 46.02 47.03 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 -5.96 0.37 -0.26 0.00 0.74 -1.22 -2.95 119.66 110.37 2yuv s GLN 62 Ca 0.20 0.60 -0.17 0.00 0.05 0.00 0.00 55.36 56.04 2yuv s GLN 62 Cb -0.12 -0.35 -0.03 0.00 1.10 0.00 0.00 33.01 33.61 2yuv s GLN 62 CO 0.73 -0.63 0.45 1.03 -0.55 0.00 0.00 175.29 176.32 2yuv s ARG 63 N 2.58 4.05 -0.11 1.67 1.81 -0.39 -0.97 118.95 127.58 2yuv s ARG 63 Ca 0.13 0.20 -0.02 0.00 -1.72 0.00 0.00 55.73 54.32 2yuv s ARG 63 Cb -0.15 -3.65 -0.03 0.00 -0.45 0.00 0.00 34.95 30.67 2yuv s ARG 63 CO -0.16 -0.31 -0.03 0.42 -0.68 0.00 0.00 175.30 174.54 2yuv s ILE 64 N 2.18 4.04 -0.07 1.52 1.01 0.76 -1.99 121.20 128.65 2yuv s ILE 64 Ca 0.18 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.51 2yuv s ILE 64 Cb -0.16 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.61 2yuv s ILE 64 CO 0.09 0.56 -0.08 -0.22 0.00 0.00 0.00 174.94 175.29 2yuv s LEU 65 N -0.34 1.39 -0.10 2.97 1.98 0.40 -1.43 118.68 123.56 2yuv s LEU 65 Ca 0.06 -0.23 0.04 0.00 -2.89 0.00 0.00 54.13 51.11 2yuv s LEU 65 Cb -0.12 -0.68 -0.01 0.00 0.66 0.00 0.00 46.19 46.04 2yuv s LEU 65 CO 0.02 -0.04 -0.21 -0.36 -1.89 0.00 0.00 176.35 173.87 2yuv s PHE 66 N 1.02 2.60 -0.35 5.38 0.08 -0.92 -0.97 117.98 124.82 2yuv s PHE 66 Ca -0.09 -0.86 -0.01 0.00 0.12 0.00 0.00 56.93 56.09 2yuv s PHE 66 Cb -0.14 -1.71 0.08 0.00 -0.57 0.00 0.00 43.02 40.68 2yuv s PHE 66 CO -0.00 -0.31 0.10 0.42 -0.10 0.00 0.00 175.22 175.33 2yuv s ILE 67 N 0.19 3.01 0.56 0.64 1.01 -1.22 -1.32 121.20 124.07 2yuv s ILE 67 Ca -0.13 -1.82 -0.15 0.00 0.00 0.00 0.00 60.65 58.55 2yuv s ILE 67 Cb -0.16 -2.95 -0.06 0.00 0.01 0.00 0.00 42.46 39.30 2yuv s ILE 67 CO 0.07 -0.43 1.01 0.20 0.00 0.00 0.00 174.94 175.78 2yuv s ASN 68 N 1.45 6.37 -0.74 3.58 0.01 -0.56 -3.16 114.94 121.89 2yuv s ASN 68 Ca 0.03 1.57 -0.00 0.00 -0.71 0.00 0.00 52.86 53.74 2yuv s ASN 68 Cb -0.21 -2.50 -0.00 0.00 0.41 0.00 0.00 41.25 38.95 2yuv s ASN 68 CO -0.03 -0.76 0.62 -3.20 -1.51 0.00 0.00 177.10 172.21 2yuv n ASN 69 N -1.98 -2.21 -4.57 -1.22 5.15 -0.43 -4.88 115.26 105.11 2yuv n ASN 69 Ca 0.07 -0.39 -0.41 0.00 -0.60 0.00 0.00 54.58 53.25 2yuv n ASN 69 Cb 0.54 -3.39 -0.03 0.00 -0.53 0.00 0.00 39.78 36.37 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 5.92 2.37 0.49 0.00 2.00 -1.26 0.19 119.66 129.37 2yuv s GLN 71 Ca 0.62 -1.28 0.34 0.00 -2.00 0.00 0.00 55.36 53.04 2yuv s GLN 71 Cb -0.14 -2.26 1.46 0.00 0.80 0.00 0.00 33.01 32.87 2yuv s GLN 71 CO 0.26 0.40 1.73 0.52 -0.50 0.00 0.00 175.29 177.70 2yuv h MET 72 N 2.17 0.10 -0.21 1.67 2.86 -1.88 0.55 114.93 120.18 2yuv h MET 72 Ca -0.46 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.00 2yuv h MET 72 Cb 1.23 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.87 2yuv h MET 72 CO 0.59 0.07 -0.57 1.79 1.06 0.00 0.00 176.91 179.84 2yuv h THR 73 N 0.10 1.30 -0.76 2.22 1.35 -1.96 -3.21 112.91 111.95 2yuv h THR 73 Ca 0.67 -1.78 0.09 0.00 -0.55 0.00 0.00 66.41 64.84 2yuv h THR 73 Cb 2.38 1.84 -0.07 0.00 -1.73 0.00 0.00 68.15 70.57 2yuv h THR 73 CO -0.14 0.57 0.42 0.44 -0.25 0.00 0.00 175.52 176.55 2yuv h ASP 74 N 0.50 0.58 0.00 5.36 3.32 -0.26 -3.41 116.42 122.51 2yuv h ASP 74 Ca -0.01 0.05 -0.34 0.00 0.02 0.00 0.00 57.03 56.74 2yuv h ASP 74 Cb 1.19 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 40.59 2yuv h ASP 74 CO 0.12 0.34 1.65 -0.67 -1.72 0.00 0.00 179.24 178.96 2yuv n ASP 75 N -4.79 -0.77 -4.28 6.45 2.03 -1.03 -4.82 116.55 109.34 2yuv n ASP 75 Ca 0.12 -0.27 -0.15 0.00 0.52 0.00 0.00 54.79 55.01 2yuv n ASP 75 Cb 0.26 -0.56 -0.10 0.00 -0.72 0.00 0.00 41.12 40.00 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 2.47 1.44 -0.54 1.67 0.15 -1.26 -4.93 113.70 112.70 2yuv s SER 76 Ca 1.13 -1.20 -0.28 0.00 0.70 0.00 0.00 55.95 56.29 2yuv s SER 76 Cb -0.83 0.08 0.03 0.00 -1.71 0.00 0.00 66.02 63.59 2yuv s SER 76 CO 0.46 -0.56 1.16 -0.70 1.20 0.00 0.00 173.24 174.81 2yuv s GLU 77 N -3.90 3.58 0.01 5.44 2.12 -1.26 -3.75 118.70 120.94 2yuv s GLU 77 Ca 0.27 0.35 -0.14 0.00 0.36 0.00 0.00 54.97 55.80 2yuv s GLU 77 Cb 0.06 -3.98 -0.06 0.00 0.26 0.00 0.00 34.13 30.42 2yuv s GLU 77 CO 0.06 -1.56 0.40 0.71 -0.54 0.00 0.00 175.26 174.33 2yuv s TYR 78 N 4.73 3.70 -0.10 5.30 2.02 -0.95 -3.62 117.35 128.44 2yuv s TYR 78 Ca 0.44 0.94 -0.05 0.00 -0.37 0.00 0.00 57.07 58.03 2yuv s TYR 78 Cb -0.07 -2.25 0.04 0.00 -0.40 0.00 0.00 41.96 39.27 2yuv s TYR 78 CO 0.28 0.63 0.23 1.52 -1.57 0.00 0.00 175.55 176.63 2yuv s TYR 79 N -1.13 -0.29 0.14 2.71 1.13 -1.11 -0.06 117.35 118.74 2yuv s TYR 79 Ca 0.25 0.71 0.07 0.00 -1.41 0.00 0.00 57.07 56.69 2yuv s TYR 79 Cb -0.16 0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.69 2yuv s TYR 79 CO 0.14 -0.21 -0.02 0.54 -2.51 0.00 0.00 175.55 173.49 2yuv s VAL 80 N 1.07 3.72 0.01 -3.49 0.11 -0.61 -2.30 120.40 118.92 2yuv s VAL 80 Ca -0.08 -1.30 0.05 0.00 -2.93 0.00 0.00 61.98 57.72 2yuv s VAL 80 Cb -0.09 -2.82 -0.02 0.00 -1.53 0.00 0.00 36.38 31.92 2yuv s VAL 80 CO -0.07 -0.02 -0.15 0.42 -3.33 0.00 0.00 175.10 171.96 2yuv s THR 81 N -1.53 1.18 -0.25 5.04 -4.23 -1.02 -1.72 115.64 113.11 2yuv s THR 81 Ca 0.26 -0.83 -0.06 0.00 -1.18 0.00 0.00 61.69 59.88 2yuv s THR 81 Cb -0.10 -1.02 0.12 0.00 1.34 0.00 0.00 72.50 72.84 2yuv s THR 81 CO 0.18 0.18 0.51 0.00 -0.54 0.00 0.00 174.62 174.95 2yuv s ALA 82 N -0.59 -1.57 0.00 3.99 0.00 -0.66 -2.37 121.76 120.56 2yuv s ALA 82 Ca 0.04 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.73 2yuv s ALA 82 Cb -0.07 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.42 2yuv s ALA 82 CO 0.00 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.21 2yuv n GLY 83 N 5.41 2.03 0.20 0.00 0.00 -1.25 -2.40 105.19 109.17 2yuv n GLY 83 Ca -0.08 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 10.28 2.57 -4.32 1.61 2.03 -1.26 -5.03 116.55 122.43 2yuv n ASP 84 Ca 0.00 -2.98 -0.17 0.00 0.52 0.00 0.00 54.79 52.17 2yuv n ASP 84 Cb 0.00 -0.41 -0.10 0.00 -0.72 0.00 0.00 41.12 39.89 2yuv n ASP 84 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2yuv s GLU 85 N -2.69 1.34 -0.05 -0.67 0.41 -1.01 -4.93 118.70 111.10 2yuv s GLU 85 Ca 0.31 -1.69 -0.29 0.00 -0.41 0.00 0.00 54.97 52.89 2yuv s GLU 85 Cb 0.26 -0.51 0.10 0.00 -1.78 0.00 0.00 34.13 32.20 2yuv s GLU 85 CO 0.04 -0.15 0.82 -1.59 -0.49 0.00 0.00 175.26 173.89 2yuv s LYS 86 N -3.91 0.88 0.20 1.61 -2.85 -1.26 -1.65 119.74 112.76 2yuv s LYS 86 Ca 0.30 0.01 -0.01 0.00 -1.00 0.00 0.00 55.97 55.27 2yuv s LYS 86 Cb 0.06 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 2yuv s LYS 86 CO 0.09 -0.32 0.12 0.00 0.10 0.00 0.00 175.35 175.35 2yuv s SER 88 N -3.16 0.30 0.19 0.00 1.04 -1.26 -1.57 113.70 109.24 2yuv s SER 88 Ca 0.37 -0.83 -0.10 0.00 0.48 0.00 0.00 55.95 55.88 2yuv s SER 88 Cb 0.07 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2yuv s SER 88 CO 0.11 -0.67 0.33 0.28 0.98 0.00 0.00 173.24 174.28 2yuv s THR 89 N -3.89 0.04 -0.09 2.02 -1.32 0.92 -4.87 115.64 108.45 2yuv s THR 89 Ca 0.06 -1.42 0.04 0.00 -1.21 0.00 0.00 61.69 59.15 2yuv s THR 89 Cb 0.06 -1.99 -0.01 0.00 -1.51 0.00 0.00 72.50 69.05 2yuv s THR 89 CO -0.10 -0.17 -0.20 -1.61 -2.21 0.00 0.00 174.62 170.32 2yuv s GLU 90 N -4.00 2.88 -0.21 7.08 2.02 -1.26 -2.24 118.70 122.98 2yuv s GLU 90 Ca 0.20 -0.81 -0.08 0.00 0.02 0.00 0.00 54.97 54.30 2yuv s GLU 90 Cb 0.02 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 2yuv s GLU 90 CO 0.04 0.33 0.10 -1.17 0.02 0.00 0.00 175.26 174.57 2yuv s LEU 91 N -0.00 3.86 -0.38 1.80 1.98 -1.25 -0.61 118.68 124.09 2yuv s LEU 91 Ca -0.07 0.05 0.03 0.00 -2.89 0.00 0.00 54.13 51.25 2yuv s LEU 91 Cb -0.15 -2.01 0.11 0.00 0.66 0.00 0.00 46.19 44.80 2yuv s LEU 91 CO 0.05 0.11 0.10 -0.36 -1.89 0.00 0.00 176.35 174.36 2yuv s PHE 92 N 0.78 3.67 -0.36 5.38 0.08 -0.56 -4.44 117.98 122.53 2yuv s PHE 92 Ca 0.05 -2.95 -0.18 0.00 0.12 0.00 0.00 56.93 53.97 2yuv s PHE 92 Cb -0.13 -2.96 -0.00 0.00 -0.57 0.00 0.00 43.02 39.36 2yuv s PHE 92 CO 0.02 -0.93 0.52 0.54 -0.10 0.00 0.00 175.22 175.28 2yuv s VAL 93 N 0.76 5.00 0.94 -0.44 0.11 -1.26 -2.19 120.40 123.33 2yuv s VAL 93 Ca 0.11 0.32 -0.16 0.00 -2.93 0.00 0.00 61.98 59.32 2yuv s VAL 93 Cb -0.20 -3.99 0.23 0.00 -1.53 0.00 0.00 36.38 30.89 2yuv s VAL 93 CO -0.06 -0.25 0.89 0.54 -3.33 0.00 0.00 175.10 172.88 2yuv n ARG 94 N 5.78 -2.45 -3.93 1.54 5.12 -0.09 -4.65 116.66 117.98 2yuv n ARG 94 Ca -0.04 -1.41 -0.35 0.00 -1.93 0.00 0.00 57.85 54.11 2yuv n ARG 94 Cb 0.49 -1.26 -0.14 0.00 -1.16 0.00 0.00 32.46 30.39 2yuv n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2yuv s SER 95 N -3.97 4.29 0.19 0.55 1.04 -1.26 -2.52 113.70 112.02 2yuv s SER 95 Ca 0.56 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.63 2yuv s SER 95 Cb -0.05 -1.73 -0.05 0.00 0.10 0.00 0.00 66.02 64.29 2yuv s SER 95 CO 0.43 -0.01 -0.02 -0.83 0.98 0.00 0.00 173.24 173.79 2yuv s GLY 96 N 1.44 1.29 0.52 7.32 0.00 -1.26 -4.86 107.32 111.76 2yuv s GLY 96 Ca 0.05 -1.62 -0.09 0.00 0.00 0.00 0.00 44.72 43.06 2yuv s GLY 96 CO -0.03 -1.58 0.46 -1.55 0.00 0.00 0.00 173.10 170.40 2yuv n PRO 97 N -0.29 -1.92 -3.63 2.90 -0.04 -1.26 -4.85 135.00 125.91 2yuv n PRO 97 Ca -0.07 -0.73 -0.16 0.00 -0.04 0.00 0.00 63.50 62.50 2yuv n PRO 97 Cb 0.63 -0.69 -0.07 0.00 -0.04 0.00 0.00 33.50 33.33 2yuv n PRO 97 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2yuv s SER 98 N -2.74 -0.46 -0.08 3.54 0.01 -1.26 -5.01 113.70 107.70 2yuv s SER 98 Ca 0.30 0.51 0.01 0.00 1.31 0.00 0.00 55.95 58.08 2yuv s SER 98 Cb -0.03 0.51 0.02 0.00 0.21 0.00 0.00 66.02 66.74 2yuv s SER 98 CO 0.23 -0.50 -0.08 -0.55 0.41 0.00 0.00 173.24 172.75 2yuv s SER 99 N -1.08 1.71 0.00 2.44 0.15 -1.26 -5.31 113.70 110.35 2yuv s SER 99 Ca -0.11 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2yuv s SER 99 Cb -0.02 -0.71 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 2yuv s SER 99 CO 0.07 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.06