#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uyx s VAL 2 N 0.00 4.94 -0.16 1.12 1.01 -1.26 -1.24 120.40 124.81 1uyx s VAL 2 Ca 0.00 1.67 -0.23 0.00 0.00 0.00 0.00 61.98 63.42 1uyx s VAL 2 Cb 0.00 -4.14 -0.23 0.00 0.00 0.00 0.00 36.38 32.00 1uyx s VAL 2 CO 0.00 0.15 0.46 0.40 0.00 0.00 0.00 175.10 176.11 1uyx h ILE 3 N 4.92 1.22 -2.28 2.22 1.08 -1.17 -3.48 117.51 120.01 1uyx h ILE 3 Ca -0.37 -2.28 -0.07 0.00 -0.39 0.00 0.00 64.86 61.75 1uyx h ILE 3 Cb 1.18 2.70 -0.21 0.00 -3.07 0.00 0.00 36.82 37.42 1uyx h ILE 3 CO 0.78 0.49 0.03 0.00 -0.69 0.00 0.00 178.15 178.77 1uyx s ALA 4 N -2.34 -1.50 -0.15 1.87 0.00 -1.09 -4.95 121.76 113.60 1uyx s ALA 4 Ca -0.24 1.36 -0.01 0.00 0.00 0.00 0.00 51.96 53.07 1uyx s ALA 4 Cb 0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1uyx s ALA 4 CO 0.66 -0.32 -0.10 0.99 0.00 0.00 0.00 175.76 176.99 1uyx s THR 5 N -0.50 3.20 -0.21 0.00 2.01 -1.26 -0.83 115.64 118.05 1uyx s THR 5 Ca -0.06 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1uyx s THR 5 Cb -0.03 -2.37 0.03 0.00 0.01 0.00 0.00 72.50 70.14 1uyx s THR 5 CO 0.05 0.50 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.69 1uyx s ILE 6 N 0.55 2.17 0.19 1.82 1.01 0.15 -5.00 121.20 122.09 1uyx s ILE 6 Ca -0.07 -1.18 -0.31 0.00 0.00 0.00 0.00 60.65 59.09 1uyx s ILE 6 Cb -0.15 -2.05 -0.09 0.00 0.01 0.00 0.00 42.46 40.17 1uyx s ILE 6 CO 0.03 0.32 1.44 -1.10 0.00 0.00 0.00 174.94 175.63 1uyx s GLN 7 N 1.23 4.29 0.40 2.79 -1.52 -1.26 -0.83 119.66 124.76 1uyx s GLN 7 Ca -0.00 2.22 0.07 0.00 -1.95 0.00 0.00 55.36 55.69 1uyx s GLN 7 Cb -0.16 -3.17 0.83 0.00 -0.22 0.00 0.00 33.01 30.30 1uyx s GLN 7 CO -0.10 -0.44 2.04 0.00 -0.25 0.00 0.00 175.29 176.55 1uyx h ALA 8 N 5.93 1.67 0.00 6.09 0.00 -1.46 -0.94 119.26 130.54 1uyx h ALA 8 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1uyx h ALA 8 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1uyx h ALA 8 CO 0.83 0.29 0.00 -0.85 0.00 0.00 0.00 179.25 179.52 1uyx n GLU 9 N -4.46 0.15 -0.83 0.00 0.00 -1.26 -3.82 120.64 110.42 1uyx n GLU 9 Ca 0.03 0.31 -0.14 0.00 0.00 0.00 0.00 57.16 57.37 1uyx n GLU 9 Cb 0.07 -1.75 0.03 0.00 0.00 0.00 0.00 31.44 29.79 1uyx n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1uyx n ASP 10 N -2.03 6.28 -4.80 -1.84 8.00 -0.36 -4.93 116.55 116.88 1uyx n ASP 10 Ca 0.03 -2.95 -0.35 0.00 0.71 0.00 0.00 54.79 52.23 1uyx n ASP 10 Cb 0.26 -1.07 -0.07 0.00 -0.02 0.00 0.00 41.12 40.22 1uyx n ASP 10 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1uyx s HIS 11 N -1.49 3.54 -0.23 1.24 -3.43 -1.25 -4.91 115.29 108.75 1uyx s HIS 11 Ca 0.26 1.72 0.18 0.00 -0.80 0.00 0.00 55.06 56.42 1uyx s HIS 11 Cb 0.20 -2.90 0.09 0.00 -1.43 0.00 0.00 32.58 28.54 1uyx s HIS 11 CO -0.01 0.08 1.32 0.66 -2.00 0.00 0.00 174.74 174.79 1uyx h SER 12 N 2.68 0.00 -5.11 7.38 4.64 -1.33 -3.47 113.55 118.34 1uyx h SER 12 Ca -0.48 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.76 1uyx h SER 12 Cb 1.19 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 1uyx h SER 12 CO 0.63 0.32 -0.27 -1.58 -0.87 0.00 0.00 176.83 175.06 1uyx s GLN 13 N -3.07 0.89 0.22 4.77 0.74 -1.19 -4.98 119.66 117.03 1uyx s GLN 13 Ca 0.03 -0.78 -0.17 0.00 0.05 0.00 0.00 55.36 54.49 1uyx s GLN 13 Cb 0.07 0.37 0.02 0.00 1.10 0.00 0.00 33.01 34.57 1uyx s GLN 13 CO 0.74 -0.30 0.54 1.14 -0.55 0.00 0.00 175.29 176.86 1uyx s GLN 14 N -3.51 1.48 -0.03 1.67 1.03 -1.26 -0.90 119.66 118.14 1uyx s GLN 14 Ca 0.02 -0.99 -0.01 0.00 0.04 0.00 0.00 55.36 54.42 1uyx s GLN 14 Cb 0.03 0.52 0.03 0.00 0.03 0.00 0.00 33.01 33.62 1uyx s GLN 14 CO -0.09 -0.63 0.05 0.45 -2.54 0.00 0.00 175.29 172.53 1uyx s SER 15 N -2.92 0.51 0.00 12.60 0.15 -0.39 -4.95 113.70 118.70 1uyx s SER 15 Ca 0.13 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1uyx s SER 15 Cb -0.02 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1uyx s SER 15 CO 0.02 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1uyx n GLY 16 N 4.68 0.80 3.77 9.45 0.00 -1.26 -2.12 105.19 120.51 1uyx n GLY 16 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1uyx n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uyx s THR 17 N -3.20 1.41 -0.09 2.61 -4.23 -1.26 -4.70 115.64 106.17 1uyx s THR 17 Ca 0.00 -1.90 -0.15 0.00 -1.18 0.00 0.00 61.69 58.46 1uyx s THR 17 Cb 0.00 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.56 1uyx s THR 17 CO 0.00 0.00 0.38 -1.58 -0.54 0.00 0.00 174.62 172.88 1uyx s GLN 18 N -3.92 0.57 0.48 3.99 0.74 -0.95 -5.01 119.66 115.55 1uyx s GLN 18 Ca 0.16 0.26 -0.20 0.00 0.05 0.00 0.00 55.36 55.63 1uyx s GLN 18 Cb 0.02 0.26 -0.09 0.00 1.10 0.00 0.00 33.01 34.31 1uyx s GLN 18 CO 0.09 -0.12 1.03 -1.14 -0.55 0.00 0.00 175.29 174.60 1uyx s GLN 19 N -0.42 3.83 0.13 1.67 0.74 -1.26 -0.61 119.66 123.74 1uyx s GLN 19 Ca -0.05 1.32 -0.17 0.00 0.05 0.00 0.00 55.36 56.51 1uyx s GLN 19 Cb -0.03 -2.10 0.04 0.00 1.10 0.00 0.00 33.01 32.01 1uyx s GLN 19 CO 0.02 -0.40 0.42 -1.83 -0.55 0.00 0.00 175.29 172.96 1uyx s GLU 20 N -3.27 1.09 0.27 1.67 -1.05 -0.44 -4.87 118.70 112.10 1uyx s GLU 20 Ca 0.66 -0.69 -0.29 0.00 -0.15 0.00 0.00 54.97 54.50 1uyx s GLU 20 Cb -0.15 0.48 -0.10 0.00 -0.44 0.00 0.00 34.13 33.92 1uyx s GLU 20 CO 0.20 -0.43 1.28 0.99 0.95 0.00 0.00 175.26 178.25 1uyx s THR 21 N -3.80 3.02 0.03 1.83 2.01 -1.26 -0.52 115.64 116.95 1uyx s THR 21 Ca 0.03 0.94 0.04 0.00 0.31 0.00 0.00 61.69 63.01 1uyx s THR 21 Cb 0.02 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1uyx s THR 21 CO -0.12 0.19 -0.06 0.28 -0.69 0.00 0.00 174.62 174.22 1uyx s THR 22 N -0.61 3.69 -2.10 -0.82 -1.32 -0.88 -4.70 115.64 108.90 1uyx s THR 22 Ca 0.52 -0.86 0.23 0.00 -1.21 0.00 0.00 61.69 60.37 1uyx s THR 22 Cb -0.37 -2.64 0.59 0.00 -1.51 0.00 0.00 72.50 68.57 1uyx s THR 22 CO 0.45 0.32 1.50 0.35 -2.21 0.00 0.00 174.62 175.03 1uyx n THR 23 N 1.31 0.87 -0.69 5.08 -2.24 -1.26 -4.20 114.28 113.15 1uyx n THR 23 Ca -0.14 -0.94 -0.31 0.00 -2.27 0.00 0.00 64.05 60.39 1uyx n THR 23 Cb 0.52 0.63 0.16 0.00 -2.10 0.00 0.00 70.33 69.54 1uyx n THR 23 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1uyx n ASP 24 N 1.62 0.08 -4.62 3.42 2.03 -1.26 -4.82 116.55 113.00 1uyx n ASP 24 Ca 0.23 0.41 -0.56 0.00 0.52 0.00 0.00 54.79 55.40 1uyx n ASP 24 Cb 0.62 -1.45 -0.07 0.00 -0.72 0.00 0.00 41.12 39.50 1uyx n ASP 24 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1uyx n THR 25 N -4.18 0.08 0.00 5.18 -1.04 -1.26 -1.12 114.28 111.94 1uyx n THR 25 Ca 0.11 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1uyx n THR 25 Cb 0.52 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 1uyx n THR 25 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uyx n GLY 26 N 2.91 1.30 7.00 3.41 0.00 -1.26 -4.98 105.19 113.57 1uyx n GLY 26 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1uyx n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyx n GLY 27 N -2.00 1.75 5.26 -0.02 0.00 -0.27 -4.99 105.19 104.92 1uyx n GLY 27 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1uyx n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyx n GLY 28 N 0.00 0.50 3.23 -0.02 0.00 -1.26 -4.81 105.19 102.83 1uyx n GLY 28 Ca 0.00 -1.03 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 1uyx n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uyx s LYS 29 N 0.00 0.98 0.28 1.61 -0.14 -1.26 -2.07 119.74 119.14 1uyx s LYS 29 Ca 0.00 -1.23 0.08 0.00 -1.36 0.00 0.00 55.97 53.46 1uyx s LYS 29 Cb 0.00 -0.80 -0.06 0.00 -1.68 0.00 0.00 37.83 35.29 1uyx s LYS 29 CO 0.00 0.15 -0.09 0.54 -0.76 0.00 0.00 175.35 175.19 1uyx s ASN 30 N -2.48 2.97 0.00 2.83 2.20 0.32 -4.75 114.94 116.04 1uyx s ASN 30 Ca 0.08 -1.15 -0.22 0.00 -0.94 0.00 0.00 52.86 50.63 1uyx s ASN 30 Cb -0.04 -0.21 -0.05 0.00 -2.00 0.00 0.00 41.25 38.95 1uyx s ASN 30 CO 0.02 -0.26 0.67 -0.69 -2.94 0.00 0.00 177.10 173.90 1uyx s VAL 31 N -2.89 4.87 0.16 3.54 1.01 0.11 -1.32 120.40 125.87 1uyx s VAL 31 Ca 0.29 1.40 0.02 0.00 0.00 0.00 0.00 61.98 63.69 1uyx s VAL 31 Cb 0.02 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1uyx s VAL 31 CO 0.12 0.38 0.08 0.61 0.00 0.00 0.00 175.10 176.28 1uyx n GLY 32 N 2.53 3.69 3.75 4.51 0.00 0.22 -1.76 105.19 118.12 1uyx n GLY 32 Ca -0.05 -1.94 -0.22 0.00 0.00 0.00 0.00 46.02 43.81 1uyx n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uyx n TYR 33 N -0.36 -1.92 -3.33 1.61 4.02 -1.26 -2.25 117.16 113.67 1uyx n TYR 33 Ca -0.01 0.84 -0.38 0.00 -0.01 0.00 0.00 57.90 58.34 1uyx n TYR 33 Cb 0.26 -4.29 -0.06 0.00 -0.02 0.00 0.00 39.34 35.23 1uyx n TYR 33 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1uyx s ILE 34 N -3.67 5.19 0.16 -0.72 1.01 -1.26 -4.29 121.20 117.62 1uyx s ILE 34 Ca 0.06 0.92 -0.00 0.00 0.00 0.00 0.00 60.65 61.62 1uyx s ILE 34 Cb -0.03 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1uyx s ILE 34 CO 0.82 0.32 0.06 -1.81 0.00 0.00 0.00 174.94 174.33 1uyx s ASP 35 N 0.65 0.54 0.08 3.58 1.01 -1.26 -3.12 116.67 118.15 1uyx s ASP 35 Ca 0.25 -1.23 -0.36 0.00 0.71 0.00 0.00 52.55 51.92 1uyx s ASP 35 Cb -0.15 0.26 -0.15 0.00 1.01 0.00 0.00 42.92 43.89 1uyx s ASP 35 CO 0.10 -0.71 1.49 0.00 0.21 0.00 0.00 175.17 176.26 1uyx n ALA 36 N -0.17 0.06 0.00 5.23 0.00 -1.26 -1.55 120.51 122.82 1uyx n ALA 36 Ca -0.04 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1uyx n ALA 36 Cb 0.64 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1uyx n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uyx n GLY 37 N 3.08 3.30 3.76 0.00 0.00 -0.54 -5.01 105.19 109.79 1uyx n GLY 37 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1uyx n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uyx s ASP 38 N -0.33 5.04 0.16 1.61 1.01 -0.59 -4.80 116.67 118.76 1uyx s ASP 38 Ca 0.00 2.07 -0.16 0.00 0.71 0.00 0.00 52.55 55.17 1uyx s ASP 38 Cb 0.00 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.40 1uyx s ASP 38 CO 0.00 -1.68 0.45 -1.66 0.21 0.00 0.00 175.17 172.49 1uyx s TRP 39 N -2.23 -0.13 -0.05 4.23 1.48 -0.90 -0.81 118.94 120.53 1uyx s TRP 39 Ca 0.69 -0.19 0.01 0.00 -1.06 0.00 0.00 56.10 55.54 1uyx s TRP 39 Cb -0.22 0.30 0.02 0.00 -1.16 0.00 0.00 33.47 32.41 1uyx s TRP 39 CO 0.40 -0.80 -0.06 -0.51 -4.06 0.00 0.00 176.95 171.93 1uyx s LEU 40 N -2.84 1.35 -0.11 -4.66 1.43 -0.06 -1.26 118.68 112.52 1uyx s LEU 40 Ca 0.07 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1uyx s LEU 40 Cb 0.01 -0.53 -0.02 0.00 0.03 0.00 0.00 46.19 45.67 1uyx s LEU 40 CO -0.07 -0.05 -0.08 -0.55 0.23 0.00 0.00 176.35 175.83 1uyx s SER 41 N 0.95 4.49 -0.29 2.29 0.15 -0.07 -0.84 113.70 120.38 1uyx s SER 41 Ca -0.10 -0.15 0.09 0.00 0.70 0.00 0.00 55.95 56.49 1uyx s SER 41 Cb -0.14 -1.45 0.51 0.00 -1.71 0.00 0.00 66.02 63.22 1uyx s SER 41 CO 0.00 0.25 1.46 -1.22 1.20 0.00 0.00 173.24 174.93 1uyx n TYR 42 N 2.98 1.07 0.26 3.44 4.02 -0.07 -0.85 117.16 128.02 1uyx n TYR 42 Ca -0.18 -1.57 0.10 0.00 -0.01 0.00 0.00 57.90 56.24 1uyx n TYR 42 Cb 0.53 -0.48 0.70 0.00 -0.02 0.00 0.00 39.34 40.06 1uyx n TYR 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1uyx h ALA 43 N 1.03 1.69 0.00 -0.72 0.00 -1.88 -1.93 119.26 117.45 1uyx h ALA 43 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1uyx h ALA 43 Cb 1.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1uyx h ALA 43 CO 0.38 0.08 0.00 0.78 0.00 0.00 0.00 179.25 180.49 1uyx h GLY 44 N 0.26 0.00 -6.83 0.00 0.00 -1.94 -3.34 103.07 91.23 1uyx h GLY 44 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1uyx h GLY 44 CO 0.01 0.00 -0.65 -1.30 0.00 0.00 0.00 176.54 174.60 1uyx n THR 45 N -2.88 1.24 -1.80 4.70 -2.24 -0.73 -5.07 114.28 107.51 1uyx n THR 45 Ca 0.01 -4.68 -0.38 0.00 -2.27 0.00 0.00 64.05 56.73 1uyx n THR 45 Cb 0.29 -2.09 0.04 0.00 -2.10 0.00 0.00 70.33 66.47 1uyx n THR 45 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1uyx s PRO 46 N -1.37 3.09 -0.07 -0.78 0.02 -1.25 -4.83 135.00 129.80 1uyx s PRO 46 Ca 0.28 2.19 0.04 0.00 0.02 0.00 0.00 61.00 63.53 1uyx s PRO 46 Cb 0.00 -2.21 -0.02 0.00 0.02 0.00 0.00 34.50 32.30 1uyx s PRO 46 CO -0.15 -1.21 -0.18 0.08 -0.33 0.00 0.00 177.00 175.21 1uyx s VAL 47 N -1.33 2.71 -0.20 3.83 1.01 0.12 -4.90 120.40 121.64 1uyx s VAL 47 Ca 0.73 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 1uyx s VAL 47 Cb -0.39 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1uyx s VAL 47 CO 0.46 0.57 0.44 0.21 0.00 0.00 0.00 175.10 176.78 1uyx s ASN 48 N -0.29 6.48 -0.30 3.32 3.84 -1.26 -0.49 114.94 126.24 1uyx s ASN 48 Ca 0.01 0.57 -0.11 0.00 0.21 0.00 0.00 52.86 53.55 1uyx s ASN 48 Cb -0.13 -2.25 -0.03 0.00 -0.55 0.00 0.00 41.25 38.29 1uyx s ASN 48 CO 0.03 -0.12 0.19 -0.63 -2.79 0.00 0.00 177.10 173.78 1uyx s ILE 49 N 1.45 5.08 0.20 -5.21 -1.09 -0.32 -4.97 121.20 116.33 1uyx s ILE 49 Ca 0.21 -0.09 0.22 0.00 -2.23 0.00 0.00 60.65 58.76 1uyx s ILE 49 Cb -0.15 -3.51 0.19 0.00 -1.58 0.00 0.00 42.46 37.42 1uyx s ILE 49 CO 0.09 0.15 1.82 1.55 -1.23 0.00 0.00 174.94 177.31 1uyx h PRO 50 N 8.39 0.00 -2.24 2.79 0.13 -1.92 -0.92 132.00 138.23 1uyx h PRO 50 Ca -0.34 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1uyx h PRO 50 Cb 1.17 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.10 1uyx h PRO 50 CO 0.59 0.28 0.07 -1.54 -0.23 0.00 0.00 178.00 177.17 1uyx s SER 51 N -6.33 -0.57 0.29 1.44 1.04 -1.26 -4.85 113.70 103.46 1uyx s SER 51 Ca -0.00 0.72 -0.29 0.00 0.48 0.00 0.00 55.95 56.86 1uyx s SER 51 Cb 0.11 0.66 -0.10 0.00 0.10 0.00 0.00 66.02 66.79 1uyx s SER 51 CO 0.66 -0.49 1.31 -0.44 0.98 0.00 0.00 173.24 175.25 1uyx s SER 52 N -0.88 6.82 0.00 7.02 0.01 -1.26 -4.38 113.70 121.03 1uyx s SER 52 Ca -0.09 2.60 0.00 0.00 1.31 0.00 0.00 55.95 59.77 1uyx s SER 52 Cb -0.02 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1uyx s SER 52 CO 0.07 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1uyx n GLY 53 N 1.27 0.21 3.71 3.44 0.00 -0.55 -4.93 105.19 108.35 1uyx n GLY 53 Ca 0.02 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1uyx n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uyx s SER 54 N -4.00 7.28 0.04 1.61 0.15 -1.26 -1.10 113.70 116.42 1uyx s SER 54 Ca 0.00 1.55 0.07 0.00 0.70 0.00 0.00 55.95 58.27 1uyx s SER 54 Cb 0.00 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 1uyx s SER 54 CO 0.00 -0.25 -0.19 -0.31 1.20 0.00 0.00 173.24 173.69 1uyx s TYR 55 N 1.06 1.64 -0.25 3.44 1.51 -0.27 -3.79 117.35 120.70 1uyx s TYR 55 Ca 0.49 -0.36 -0.15 0.00 -1.01 0.00 0.00 57.07 56.04 1uyx s TYR 55 Cb -0.20 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1uyx s TYR 55 CO 0.25 0.07 0.36 -1.17 -1.11 0.00 0.00 175.55 173.95 1uyx s LEU 56 N -1.12 4.07 -0.20 -1.29 2.96 -0.25 -1.53 118.68 121.32 1uyx s LEU 56 Ca 0.06 0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 54.23 1uyx s LEU 56 Cb -0.08 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 1uyx s LEU 56 CO 0.01 -0.13 0.04 -0.63 -1.32 0.00 0.00 176.35 174.32 1uyx s ILE 57 N 1.78 4.39 -0.01 6.68 -1.09 -0.01 -0.77 121.20 132.17 1uyx s ILE 57 Ca 0.15 -0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.44 1uyx s ILE 57 Cb -0.15 -2.99 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 1uyx s ILE 57 CO 0.09 0.42 -0.08 -1.61 -1.23 0.00 0.00 174.94 172.53 1uyx s GLU 58 N 0.85 2.53 -0.06 2.79 2.02 0.39 -1.76 118.70 125.46 1uyx s GLU 58 Ca 0.02 -0.72 0.02 0.00 0.02 0.00 0.00 54.97 54.31 1uyx s GLU 58 Cb -0.14 -2.47 0.02 0.00 0.10 0.00 0.00 34.13 31.63 1uyx s GLU 58 CO 0.02 0.61 -0.11 0.71 0.02 0.00 0.00 175.26 176.51 1uyx s TYR 59 N -0.94 1.31 -0.42 1.61 1.51 -0.22 -0.95 117.35 119.24 1uyx s TYR 59 Ca 0.16 -0.47 -0.19 0.00 -1.01 0.00 0.00 57.07 55.56 1uyx s TYR 59 Cb -0.11 -0.99 0.02 0.00 -0.11 0.00 0.00 41.96 40.77 1uyx s TYR 59 CO 0.06 -0.26 0.52 0.50 -1.11 0.00 0.00 175.55 175.26 1uyx s ARG 60 N 0.73 3.21 0.12 -0.62 6.06 -0.54 -1.37 118.95 126.54 1uyx s ARG 60 Ca -0.14 -0.56 0.05 0.00 -2.50 0.00 0.00 55.73 52.58 1uyx s ARG 60 Cb -0.15 -3.95 -0.04 0.00 0.06 0.00 0.00 34.95 30.87 1uyx s ARG 60 CO 0.03 -0.90 -0.12 0.14 -2.50 0.00 0.00 175.30 171.95 1uyx s VAL 61 N 2.42 1.19 0.01 7.11 -7.23 -0.23 -0.90 120.40 122.77 1uyx s VAL 61 Ca 0.17 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1uyx s VAL 61 Cb -0.16 -1.53 -0.01 0.00 0.56 0.00 0.00 36.38 35.24 1uyx s VAL 61 CO 0.16 -0.51 -0.01 0.00 -0.31 0.00 0.00 175.10 174.42 1uyx s ALA 62 N -2.42 0.06 -0.23 1.32 0.00 -0.99 -1.36 121.76 118.14 1uyx s ALA 62 Ca 0.09 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.74 1uyx s ALA 62 Cb -0.03 0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.22 1uyx s ALA 62 CO 0.02 -0.05 0.54 0.45 0.00 0.00 0.00 175.76 176.72 1uyx s SER 63 N -0.49 -0.70 0.02 0.00 0.15 -1.16 -0.56 113.70 110.96 1uyx s SER 63 Ca -0.05 1.22 -0.24 0.00 0.70 0.00 0.00 55.95 57.58 1uyx s SER 63 Cb -0.03 1.35 -0.17 0.00 -1.71 0.00 0.00 66.02 65.46 1uyx s SER 63 CO -0.00 -0.22 1.39 -0.61 1.20 0.00 0.00 173.24 175.00 1uyx h GLN 64 N 7.48 0.09 -0.00 5.44 5.75 -1.71 0.28 115.11 132.44 1uyx h GLN 64 Ca -0.27 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 1uyx h GLN 64 Cb 1.17 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.71 1uyx h GLN 64 CO 0.18 0.44 -0.06 0.09 -2.65 0.00 0.00 178.83 176.83 1uyx n ASN 65 N -4.84 0.72 -0.22 -0.69 3.02 -1.26 -4.42 115.26 107.58 1uyx n ASN 65 Ca -0.07 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 1uyx n ASN 65 Cb 0.22 0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 1uyx n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uyx n GLY 66 N 0.58 -1.38 0.93 7.41 0.00 -1.26 -4.71 105.19 106.76 1uyx n GLY 66 Ca 0.01 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1uyx n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyx n GLY 67 N 0.00 0.86 3.88 -0.02 0.00 -1.24 -4.80 105.19 103.87 1uyx n GLY 67 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1uyx n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uyx s GLY 68 N -1.83 1.65 0.02 -0.02 0.00 -1.20 -4.76 107.32 101.18 1uyx s GLY 68 Ca 0.00 -0.18 -0.25 0.00 0.00 0.00 0.00 44.72 44.29 1uyx s GLY 68 CO 0.00 0.12 0.57 -1.35 0.00 0.00 0.00 173.10 172.44 1uyx s SER 69 N -4.24 -0.51 0.13 1.64 1.04 -1.00 -1.11 113.70 109.64 1uyx s SER 69 Ca 0.56 0.32 0.02 0.00 0.48 0.00 0.00 55.95 57.33 1uyx s SER 69 Cb -0.11 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1uyx s SER 69 CO 0.53 -0.69 -0.03 -1.48 0.98 0.00 0.00 173.24 172.55 1uyx s LEU 70 N -1.77 2.31 -0.13 2.42 0.05 -0.78 -1.29 118.68 119.49 1uyx s LEU 70 Ca -0.07 -1.08 0.01 0.00 0.05 0.00 0.00 54.13 53.04 1uyx s LEU 70 Cb -0.01 -0.04 -0.00 0.00 -2.05 0.00 0.00 46.19 44.09 1uyx s LEU 70 CO 0.01 -0.52 -0.18 -0.89 -0.55 0.00 0.00 176.35 174.22 1uyx s THR 71 N -3.67 2.52 -0.21 5.48 2.01 0.21 -1.88 115.64 120.11 1uyx s THR 71 Ca 0.17 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 61.23 1uyx s THR 71 Cb 0.06 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 1uyx s THR 71 CO -0.01 0.53 0.14 0.12 -0.69 0.00 0.00 174.62 174.71 1uyx s PHE 72 N 0.57 3.39 0.33 4.92 5.36 0.29 -1.29 117.98 131.55 1uyx s PHE 72 Ca -0.11 0.31 -0.08 0.00 -0.96 0.00 0.00 56.93 56.10 1uyx s PHE 72 Cb -0.16 -2.19 0.03 0.00 -0.34 0.00 0.00 43.02 40.36 1uyx s PHE 72 CO 0.04 0.24 0.58 -0.85 -1.46 0.00 0.00 175.22 173.76 1uyx n GLU 73 N 3.70 0.83 -2.94 10.12 0.28 -0.63 -0.74 120.64 131.25 1uyx n GLU 73 Ca -0.16 -2.12 -0.35 0.00 -0.16 0.00 0.00 57.16 54.37 1uyx n GLU 73 Cb 0.52 2.37 -0.06 0.00 1.43 0.00 0.00 31.44 35.69 1uyx n GLU 73 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1uyx s GLU 74 N -2.33 4.28 0.16 3.44 0.41 -0.71 -0.85 118.70 123.10 1uyx s GLU 74 Ca 0.18 1.02 -0.34 0.00 -0.41 0.00 0.00 54.97 55.42 1uyx s GLU 74 Cb -0.03 -2.55 -0.15 0.00 -1.78 0.00 0.00 34.13 29.62 1uyx s GLU 74 CO 0.13 0.19 1.41 0.00 -0.49 0.00 0.00 175.26 176.50 1uyx n ALA 75 N 0.04 0.34 0.00 5.21 0.00 0.59 -1.41 120.51 125.28 1uyx n ALA 75 Ca 0.03 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1uyx n ALA 75 Cb 0.52 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1uyx n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uyx n GLY 76 N 2.68 3.06 0.00 0.00 0.00 -1.26 -4.65 105.19 105.03 1uyx n GLY 76 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1uyx n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyx n GLY 77 N -1.23 2.06 3.32 -0.02 0.00 -0.50 -5.10 105.19 103.72 1uyx n GLY 77 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1uyx n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uyx s ALA 78 N -1.94 -1.04 0.58 4.61 0.00 -1.24 -4.25 121.76 118.49 1uyx s ALA 78 Ca 0.00 0.94 -0.17 0.00 0.00 0.00 0.00 51.96 52.73 1uyx s ALA 78 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1uyx s ALA 78 CO 0.00 -0.24 1.09 -1.25 0.00 0.00 0.00 175.76 175.36 1uyx s PRO 79 N -0.40 3.24 0.02 0.00 0.04 -1.26 -4.57 135.00 132.07 1uyx s PRO 79 Ca -0.05 1.40 -0.25 0.00 0.04 0.00 0.00 61.00 62.13 1uyx s PRO 79 Cb -0.03 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1uyx s PRO 79 CO 0.03 -0.90 0.77 0.08 0.04 0.00 0.00 177.00 177.02 1uyx s VAL 80 N -2.16 4.80 -0.18 -0.36 1.01 -1.26 -1.74 120.40 120.51 1uyx s VAL 80 Ca 0.68 1.63 -0.02 0.00 0.00 0.00 0.00 61.98 64.27 1uyx s VAL 80 Cb -0.20 -4.12 -0.22 0.00 0.00 0.00 0.00 36.38 31.85 1uyx s VAL 80 CO 0.33 0.33 0.12 1.41 0.00 0.00 0.00 175.10 177.29 1uyx n HIS 81 N 3.06 0.70 -3.56 5.22 -0.00 0.08 -4.97 115.22 115.74 1uyx n HIS 81 Ca -0.02 0.15 0.04 0.00 -0.00 0.00 0.00 57.72 57.89 1uyx n HIS 81 Cb 0.50 -1.09 -0.00 0.00 -0.00 0.00 0.00 29.99 29.40 1uyx n HIS 81 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1uyx s GLY 82 N -5.96 -0.50 0.15 -1.41 0.00 -0.93 -4.59 107.32 94.08 1uyx s GLY 82 Ca -0.27 0.95 0.06 0.00 0.00 0.00 0.00 44.72 45.47 1uyx s GLY 82 CO 0.70 0.27 -0.14 -0.51 0.00 0.00 0.00 173.10 173.43 1uyx s THR 83 N -2.02 1.41 -0.16 0.90 -4.23 -1.26 -0.55 115.64 109.73 1uyx s THR 83 Ca 0.15 -1.90 -0.14 0.00 -1.18 0.00 0.00 61.69 58.61 1uyx s THR 83 Cb 0.08 -1.72 0.04 0.00 1.34 0.00 0.00 72.50 72.24 1uyx s THR 83 CO -0.07 -0.52 0.42 -0.51 -0.54 0.00 0.00 174.62 173.41 1uyx s ILE 84 N -2.56 -0.00 0.22 2.99 2.07 -0.79 -5.01 121.20 118.12 1uyx s ILE 84 Ca 0.14 0.01 -0.25 0.00 -1.41 0.00 0.00 60.65 59.14 1uyx s ILE 84 Cb -0.02 -0.60 -0.09 0.00 0.13 0.00 0.00 42.46 41.88 1uyx s ILE 84 CO 0.03 0.00 0.82 0.00 -1.91 0.00 0.00 174.94 173.89 1uyx s ALA 85 N 0.31 3.38 -0.30 1.50 0.00 -1.26 -1.87 121.76 123.52 1uyx s ALA 85 Ca -0.01 0.38 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 1uyx s ALA 85 Cb -0.03 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 20.10 1uyx s ALA 85 CO -0.00 0.27 0.07 0.42 0.00 0.00 0.00 175.76 176.52 1uyx s ILE 86 N -1.34 3.87 0.67 0.00 1.01 -0.27 -4.96 121.20 120.18 1uyx s ILE 86 Ca 0.41 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 1uyx s ILE 86 Cb -0.21 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 1uyx s ILE 86 CO 0.25 0.05 1.05 -2.16 0.00 0.00 0.00 174.94 174.14 1uyx s PRO 87 N 1.48 3.16 0.31 2.79 0.04 -1.26 -3.57 135.00 137.94 1uyx s PRO 87 Ca 0.02 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 61.67 1uyx s PRO 87 Cb -0.17 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.24 1uyx s PRO 87 CO 0.02 -0.92 1.46 0.00 0.04 0.00 0.00 177.00 177.60 1uyx s ALA 88 N -3.07 3.61 -0.29 8.56 0.00 -1.26 -4.47 121.76 124.84 1uyx s ALA 88 Ca 0.57 1.44 0.07 0.00 0.00 0.00 0.00 51.96 54.04 1uyx s ALA 88 Cb -0.13 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.33 1uyx s ALA 88 CO 0.54 -0.86 0.28 0.25 0.00 0.00 0.00 175.76 175.96 1uyx n THR 89 N 1.46 0.00 0.00 0.00 -2.24 0.08 -4.92 114.28 108.65 1uyx n THR 89 Ca 0.04 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1uyx n THR 89 Cb 0.40 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1uyx n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uyx n GLY 90 N 1.26 2.19 3.58 3.38 0.00 -1.17 -4.84 105.19 109.58 1uyx n GLY 90 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1uyx n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uyx s GLY 91 N -2.04 -0.42 0.58 -0.02 0.00 -1.23 -4.87 107.32 99.31 1uyx s GLY 91 Ca 0.00 1.22 0.36 0.00 0.00 0.00 0.00 44.72 46.29 1uyx s GLY 91 CO 0.00 0.30 2.12 1.49 0.00 0.00 0.00 173.10 177.01 1uyx h TRP 92 N 2.00 0.00 -0.09 1.90 -0.00 -1.90 -2.64 115.95 115.22 1uyx h TRP 92 Ca -0.25 0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.53 1uyx h TRP 92 Cb 1.17 0.00 -0.16 0.00 -0.00 0.00 0.00 29.16 30.17 1uyx h TRP 92 CO 0.29 0.03 -0.70 1.04 -0.00 0.00 0.00 178.44 179.11 1uyx n GLN 93 N -3.20 1.38 -3.71 0.49 1.13 -1.26 -4.74 117.38 107.46 1uyx n GLN 93 Ca -0.01 -3.06 -0.38 0.00 -1.94 0.00 0.00 57.00 51.61 1uyx n GLN 93 Cb 0.23 -1.26 -0.12 0.00 0.11 0.00 0.00 30.24 29.20 1uyx n GLN 93 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1uyx s THR 94 N -2.55 4.14 -0.01 5.09 2.01 -1.00 -4.76 115.64 118.56 1uyx s THR 94 Ca 0.38 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1uyx s THR 94 Cb 0.38 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 1uyx s THR 94 CO -0.08 -0.02 0.02 0.26 -0.69 0.00 0.00 174.62 174.11 1uyx s TRP 95 N 1.51 3.15 0.08 4.92 0.52 -1.26 -4.31 118.94 123.55 1uyx s TRP 95 Ca 0.02 0.14 -0.08 0.00 0.02 0.00 0.00 56.10 56.19 1uyx s TRP 95 Cb -0.18 -1.71 -0.00 0.00 -1.15 0.00 0.00 33.47 30.43 1uyx s TRP 95 CO 0.04 0.49 0.18 -0.08 0.02 0.00 0.00 176.95 177.60 1uyx s THR 96 N -1.09 0.15 -0.21 2.01 -1.32 -0.47 -4.99 115.64 109.72 1uyx s THR 96 Ca 0.20 -1.19 -0.06 0.00 -1.21 0.00 0.00 61.69 59.42 1uyx s THR 96 Cb -0.12 -1.32 -0.03 0.00 -1.51 0.00 0.00 72.50 69.53 1uyx s THR 96 CO 0.10 -0.66 0.02 -0.89 -2.21 0.00 0.00 174.62 170.98 1uyx s THR 97 N -3.78 4.08 0.32 5.08 2.01 -1.26 -1.07 115.64 121.01 1uyx s THR 97 Ca 0.04 -0.27 0.08 0.00 0.31 0.00 0.00 61.69 61.86 1uyx s THR 97 Cb 0.05 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1uyx s THR 97 CO -0.11 0.41 0.13 0.27 -0.69 0.00 0.00 174.62 174.64 1uyx s ILE 98 N 1.11 3.30 0.03 1.82 -4.36 -0.47 -4.94 121.20 117.69 1uyx s ILE 98 Ca 0.03 -1.67 -0.20 0.00 -0.26 0.00 0.00 60.65 58.55 1uyx s ILE 98 Cb -0.14 -3.01 0.04 0.00 1.25 0.00 0.00 42.46 40.59 1uyx s ILE 98 CO 0.02 -0.24 0.45 0.00 0.24 0.00 0.00 174.94 175.41 1uyx s GLN 99 N -3.83 0.93 0.21 0.37 -2.07 -1.26 -1.06 119.66 112.96 1uyx s GLN 99 Ca 0.36 -0.26 -0.10 0.00 -1.82 0.00 0.00 55.36 53.55 1uyx s GLN 99 Cb -0.04 0.42 -0.01 0.00 -1.09 0.00 0.00 33.01 32.29 1uyx s GLN 99 CO 0.23 -0.32 0.37 -3.38 -1.32 0.00 0.00 175.29 170.87 1uyx s HIS 100 N -2.22 0.47 0.06 9.60 -3.43 -0.72 -5.01 115.29 114.04 1uyx s HIS 100 Ca -0.07 -0.81 0.01 0.00 -0.80 0.00 0.00 55.06 53.40 1uyx s HIS 100 Cb -0.01 0.01 -0.04 0.00 -1.43 0.00 0.00 32.58 31.11 1uyx s HIS 100 CO -0.00 -0.85 0.12 0.95 -2.00 0.00 0.00 174.74 172.95 1uyx s THR 101 N -4.02 4.82 0.05 -5.38 -4.23 -1.26 -0.83 115.64 104.80 1uyx s THR 101 Ca 0.23 -0.59 -0.02 0.00 -1.18 0.00 0.00 61.69 60.12 1uyx s THR 101 Cb 0.02 -3.31 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 1uyx s THR 101 CO 0.06 0.17 0.01 0.68 -0.54 0.00 0.00 174.62 175.00 1uyx s VAL 102 N -1.39 0.20 -0.00 2.29 -7.23 -0.58 -4.94 120.40 108.75 1uyx s VAL 102 Ca 0.30 -1.63 -0.19 0.00 -1.81 0.00 0.00 61.98 58.65 1uyx s VAL 102 Cb -0.12 -1.39 -0.06 0.00 0.56 0.00 0.00 36.38 35.37 1uyx s VAL 102 CO 0.22 -0.90 0.54 0.21 -0.31 0.00 0.00 175.10 174.86 1uyx s ASN 103 N -2.79 6.92 -0.02 4.85 3.84 -1.26 -1.11 114.94 125.38 1uyx s ASN 103 Ca 0.05 1.10 0.03 0.00 0.21 0.00 0.00 52.86 54.25 1uyx s ASN 103 Cb 0.06 -2.33 -0.01 0.00 -0.55 0.00 0.00 41.25 38.42 1uyx s ASN 103 CO -0.09 0.17 -0.11 -0.76 -2.79 0.00 0.00 177.10 173.51 1uyx s LEU 104 N -0.45 1.95 0.51 3.21 1.43 -0.26 -4.92 118.68 120.15 1uyx s LEU 104 Ca 0.28 -0.21 -0.19 0.00 -1.03 0.00 0.00 54.13 52.98 1uyx s LEU 104 Cb -0.18 -0.61 -0.08 0.00 0.03 0.00 0.00 46.19 45.36 1uyx s LEU 104 CO 0.16 0.12 1.03 -0.94 0.23 0.00 0.00 176.35 176.95 1uyx s SER 105 N -0.13 6.29 0.49 2.29 1.04 -1.26 -1.48 113.70 120.93 1uyx s SER 105 Ca 0.02 1.86 -0.23 0.00 0.48 0.00 0.00 55.95 58.08 1uyx s SER 105 Cb -0.06 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.45 1uyx s SER 105 CO -0.00 -0.82 1.27 0.00 0.98 0.00 0.00 173.24 174.67 1uyx s ALA 106 N -2.14 2.96 0.00 5.32 0.00 -1.26 -4.74 121.76 121.90 1uyx s ALA 106 Ca 0.65 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1uyx s ALA 106 Cb -0.15 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1uyx s ALA 106 CO 0.24 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1uyx n GLY 107 N 0.59 0.37 3.71 0.00 0.00 -0.35 -4.94 105.19 104.58 1uyx n GLY 107 Ca 0.08 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 1uyx n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uyx s SER 108 N -4.00 7.26 0.03 1.61 0.15 -1.26 -1.18 113.70 116.31 1uyx s SER 108 Ca 0.00 1.52 0.08 0.00 0.70 0.00 0.00 55.95 58.25 1uyx s SER 108 Cb 0.00 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 1uyx s SER 108 CO 0.00 -0.20 -0.24 -1.00 1.20 0.00 0.00 173.24 173.01 1uyx s HIS 109 N 0.86 2.41 -0.33 3.44 4.02 0.36 -4.95 115.29 121.10 1uyx s HIS 109 Ca 0.47 -0.36 -0.00 0.00 1.02 0.00 0.00 55.06 56.19 1uyx s HIS 109 Cb -0.20 -1.43 0.07 0.00 -1.02 0.00 0.00 32.58 30.00 1uyx s HIS 109 CO 0.25 0.15 0.04 -0.65 1.02 0.00 0.00 174.74 175.55 1uyx s GLN 110 N -1.21 2.13 0.39 1.40 -0.21 -1.26 -0.70 119.66 120.20 1uyx s GLN 110 Ca 0.12 -1.52 -0.06 0.00 0.02 0.00 0.00 55.36 53.92 1uyx s GLN 110 Cb -0.10 -3.24 -0.05 0.00 1.00 0.00 0.00 33.01 30.62 1uyx s GLN 110 CO 0.03 -0.78 0.69 -0.06 -2.12 0.00 0.00 175.29 173.05 1uyx s PHE 111 N 1.14 3.50 0.08 0.91 2.99 -1.26 -0.30 117.98 125.04 1uyx s PHE 111 Ca 0.00 0.80 -0.07 0.00 0.00 0.00 0.00 56.93 57.67 1uyx s PHE 111 Cb -0.20 -2.26 -0.01 0.00 0.00 0.00 0.00 43.02 40.55 1uyx s PHE 111 CO -0.04 -0.06 0.15 0.20 -0.00 0.00 0.00 175.22 175.47 1uyx s GLY 112 N -3.50 0.16 -0.07 4.36 0.00 -0.03 -0.89 107.32 107.35 1uyx s GLY 112 Ca 0.47 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 44.49 1uyx s GLY 112 CO 0.35 -0.90 -0.14 -0.42 0.00 0.00 0.00 173.10 171.99 1uyx s ILE 113 N -3.87 1.28 -0.14 0.90 1.01 -0.02 -1.61 121.20 118.74 1uyx s ILE 113 Ca 0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 1uyx s ILE 113 Cb 0.05 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 1uyx s ILE 113 CO -0.11 0.39 -0.11 -0.75 0.00 0.00 0.00 174.94 174.35 1uyx s LYS 114 N 0.57 3.40 -0.21 2.79 2.47 -0.41 -0.88 119.74 127.47 1uyx s LYS 114 Ca -0.14 -0.67 -0.27 0.00 -1.56 0.00 0.00 55.97 53.33 1uyx s LYS 114 Cb -0.16 -2.70 -0.00 0.00 -1.46 0.00 0.00 37.83 33.51 1uyx s LYS 114 CO 0.04 0.16 0.93 0.00 0.16 0.00 0.00 175.35 176.64 1uyx s ALA 115 N 0.51 3.61 -0.05 3.13 0.00 0.01 -0.62 121.76 128.36 1uyx s ALA 115 Ca -0.08 0.09 0.13 0.00 0.00 0.00 0.00 51.96 52.09 1uyx s ALA 115 Cb -0.15 -3.40 -0.19 0.00 0.00 0.00 0.00 23.12 19.38 1uyx s ALA 115 CO 0.04 -0.88 0.83 -0.91 0.00 0.00 0.00 175.76 174.83 1uyx h ASN 116 N 7.45 0.00 -3.98 0.00 2.35 -1.50 -1.45 115.58 118.45 1uyx h ASN 116 Ca -0.24 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.38 1uyx h ASN 116 Cb 1.09 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.22 1uyx h ASN 116 CO 0.91 0.87 -0.28 0.00 -1.65 0.00 0.00 177.43 177.27 1uyx s ALA 117 N -2.71 -0.90 0.81 -0.83 0.00 -1.13 -4.55 121.76 112.45 1uyx s ALA 117 Ca -0.03 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1uyx s ALA 117 Cb 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1uyx s ALA 117 CO 0.82 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.80 1uyx n GLY 118 N 2.72 -0.32 0.00 0.00 0.00 -1.26 -2.39 105.19 103.94 1uyx n GLY 118 Ca -0.14 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1uyx n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyx n GLY 119 N 5.00 1.11 3.16 -0.02 0.00 -1.18 -3.26 105.19 110.00 1uyx n GLY 119 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1uyx n GLY 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1uyx s TRP 120 N -2.00 0.25 0.18 1.61 1.48 -1.26 -4.10 118.94 115.10 1uyx s TRP 120 Ca 0.00 -0.68 0.08 0.00 -1.06 0.00 0.00 56.10 54.44 1uyx s TRP 120 Cb 0.00 -0.15 -0.04 0.00 -1.16 0.00 0.00 33.47 32.11 1uyx s TRP 120 CO 0.00 -0.47 -0.05 -0.80 -4.06 0.00 0.00 176.95 171.56 1uyx s ASN 121 N -2.73 4.46 -0.08 -2.66 0.02 0.27 -4.32 114.94 109.91 1uyx s ASN 121 Ca 0.04 -0.51 -0.00 0.00 -1.02 0.00 0.00 52.86 51.36 1uyx s ASN 121 Cb 0.05 -0.84 0.02 0.00 0.02 0.00 0.00 41.25 40.50 1uyx s ASN 121 CO -0.09 0.09 -0.03 -0.22 0.02 0.00 0.00 177.10 176.86 1uyx s LEU 122 N -2.91 0.96 -0.22 0.60 2.96 -0.73 -2.33 118.68 117.01 1uyx s LEU 122 Ca 0.26 -0.16 -0.20 0.00 -0.22 0.00 0.00 54.13 53.81 1uyx s LEU 122 Cb -0.09 -0.57 -0.18 0.00 0.50 0.00 0.00 46.19 45.85 1uyx s LEU 122 CO 0.17 -0.13 0.12 -3.20 -1.32 0.00 0.00 176.35 171.99 1uyx n ASN 123 N 4.80 1.88 -3.74 3.68 5.15 -0.08 -0.72 115.26 126.22 1uyx n ASN 123 Ca -0.13 0.41 -0.08 0.00 -0.60 0.00 0.00 54.58 54.18 1uyx n ASN 123 Cb 0.50 -0.94 -0.02 0.00 -0.53 0.00 0.00 39.78 38.79 1uyx n ASN 123 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 1uyx s TRP 124 N -2.39 -0.27 0.04 1.20 1.48 -1.25 -1.29 118.94 116.46 1uyx s TRP 124 Ca -0.30 -0.11 0.06 0.00 -1.06 0.00 0.00 56.10 54.69 1uyx s TRP 124 Cb 0.07 0.67 -0.02 0.00 -1.16 0.00 0.00 33.47 33.03 1uyx s TRP 124 CO 0.58 -1.10 -0.18 0.42 -4.06 0.00 0.00 176.95 172.61 1uyx s ILE 125 N -3.81 1.40 -0.03 0.66 1.09 -0.01 -1.46 121.20 119.04 1uyx s ILE 125 Ca 0.09 -1.10 0.02 0.00 -1.10 0.00 0.00 60.65 58.55 1uyx s ILE 125 Cb -0.04 -1.24 0.01 0.00 -1.06 0.00 0.00 42.46 40.13 1uyx s ILE 125 CO 0.02 0.11 -0.06 -0.60 -0.10 0.00 0.00 174.94 174.31 1uyx s ARG 126 N -1.15 0.73 -0.18 2.79 3.52 -0.13 -0.68 118.95 123.86 1uyx s ARG 126 Ca 0.05 -0.18 -0.05 0.00 -0.13 0.00 0.00 55.73 55.42 1uyx s ARG 126 Cb -0.08 -0.72 -0.03 0.00 -1.56 0.00 0.00 34.95 32.56 1uyx s ARG 126 CO 0.02 0.03 -0.01 0.42 -0.81 0.00 0.00 175.30 174.95 1uyx s ILE 127 N 0.41 4.07 0.07 4.11 1.01 -0.01 -0.46 121.20 130.42 1uyx s ILE 127 Ca -0.05 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.37 1uyx s ILE 127 Cb -0.09 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 1uyx s ILE 127 CO 0.00 0.46 -0.17 0.20 0.00 0.00 0.00 174.94 175.44 1uyx s ASN 128 N 0.60 2.01 0.76 3.58 0.01 0.05 -0.55 114.94 121.40 1uyx s ASN 128 Ca -0.01 -0.60 -0.12 0.00 -0.71 0.00 0.00 52.86 51.42 1uyx s ASN 128 Cb -0.14 -0.10 0.06 0.00 0.41 0.00 0.00 41.25 41.48 1uyx s ASN 128 CO 0.02 0.01 1.12 -0.54 -1.51 0.00 0.00 177.10 176.20 1uyx s LYS 129 N -1.63 2.15 0.00 -0.60 1.02 -0.37 -1.09 119.74 119.21 1uyx s LYS 129 Ca 0.02 1.38 0.13 0.00 0.02 0.00 0.00 55.97 57.51 1uyx s LYS 129 Cb -0.09 -1.87 0.10 0.00 -0.52 0.00 0.00 37.83 35.44 1uyx s LYS 129 CO 0.03 -1.75 0.90 0.25 -0.92 0.00 0.00 175.35 173.85