#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 4.97 -0.15 1.12 1.01 -1.26 -1.40 120.40 124.69 1uyx s VAL 2 Ca 0.00 1.54 -0.19 0.00 0.00 0.00 0.00 61.98 63.32 1uyx s VAL 2 Cb 0.00 -4.09 -0.24 0.00 0.00 0.00 0.00 36.38 32.05 1uyx s VAL 2 CO 0.00 0.15 0.47 0.40 0.00 0.00 0.00 175.10 176.12 1uyx h ILE 3 N 4.96 1.09 -1.98 2.22 1.08 -1.12 -3.48 117.51 120.28 1uyx h ILE 3 Ca -0.36 -2.31 -0.04 0.00 -0.39 0.00 0.00 64.86 61.76 1uyx h ILE 3 Cb 1.17 2.65 -0.21 0.00 -3.07 0.00 0.00 36.82 37.36 1uyx h ILE 3 CO 0.78 0.57 0.16 0.00 -0.69 0.00 0.00 178.15 178.97 1uyx s ALA 4 N -2.40 -1.79 -0.14 1.87 0.00 -1.12 -4.95 121.76 113.23 1uyx s ALA 4 Ca -0.23 1.87 -0.01 0.00 0.00 0.00 0.00 51.96 53.58 1uyx s ALA 4 Cb 0.04 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 1uyx s ALA 4 CO 0.70 -0.34 -0.10 0.99 0.00 0.00 0.00 175.76 177.01 1uyx s THR 5 N 0.02 3.34 -0.17 0.00 2.01 -1.26 -1.01 115.64 118.56 1uyx s THR 5 Ca -0.02 -0.56 -0.00 0.00 0.31 0.00 0.00 61.69 61.42 1uyx s THR 5 Cb -0.04 -2.43 0.04 0.00 0.01 0.00 0.00 72.50 70.08 1uyx s THR 5 CO 0.03 0.51 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.76 1uyx s ILE 6 N 0.42 1.31 0.14 1.82 1.01 0.12 -5.00 121.20 121.01 1uyx s ILE 6 Ca -0.08 -0.70 -0.31 0.00 0.00 0.00 0.00 60.65 59.57 1uyx s ILE 6 Cb -0.15 -1.41 -0.08 0.00 0.01 0.00 0.00 42.46 40.83 1uyx s ILE 6 CO 0.04 0.21 1.33 -1.10 0.00 0.00 0.00 174.94 175.41 1uyx s GLN 7 N 1.56 4.37 0.44 2.79 -1.52 -1.26 -0.51 119.66 125.53 1uyx s GLN 7 Ca 0.01 2.02 0.10 0.00 -1.95 0.00 0.00 55.36 55.55 1uyx s GLN 7 Cb -0.15 -3.24 0.97 0.00 -0.22 0.00 0.00 33.01 30.38 1uyx s GLN 7 CO -0.08 -0.33 2.06 0.00 -0.25 0.00 0.00 175.29 176.69 1uyx h ALA 8 N 6.17 1.75 0.00 6.09 0.00 -1.47 -1.06 119.26 130.74 1uyx h ALA 8 Ca -0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1uyx h ALA 8 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1uyx h ALA 8 CO 0.82 0.20 0.00 -0.85 0.00 0.00 0.00 179.25 179.42 1uyx n GLU 9 N -4.45 0.15 -0.94 0.00 0.00 -1.26 -3.85 120.64 110.30 1uyx n GLU 9 Ca 0.00 0.32 -0.17 0.00 0.00 0.00 0.00 57.16 57.31 1uyx n GLU 9 Cb 0.12 -1.76 0.03 0.00 0.00 0.00 0.00 31.44 29.83 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 6.45 -4.78 -1.84 8.00 -0.40 -4.93 116.55 117.02 1uyx n ASP 10 Ca 0.03 -3.06 -0.38 0.00 0.71 0.00 0.00 54.79 52.10 1uyx n ASP 10 Cb 0.26 -1.08 -0.06 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 -1.76 3.68 -0.02 1.24 -3.43 -1.25 -4.89 115.29 108.87 1uyx s HIS 11 Ca 0.33 1.78 0.11 0.00 -0.80 0.00 0.00 55.06 56.49 1uyx s HIS 11 Cb 0.25 -2.98 -0.09 0.00 -1.43 0.00 0.00 32.58 28.33 1uyx s HIS 11 CO -0.02 0.10 1.29 0.66 -2.00 0.00 0.00 174.74 174.77 1uyx h SER 12 N 3.27 0.00 -5.14 7.38 4.64 -1.37 -3.47 113.55 118.87 1uyx h SER 12 Ca -0.47 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.75 1uyx h SER 12 Cb 1.20 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.13 1uyx h SER 12 CO 0.65 0.77 -0.44 -1.10 -0.87 0.00 0.00 176.83 175.84 1uyx s GLN 13 N -2.82 0.74 0.28 4.77 -0.21 -1.20 -4.99 119.66 116.23 1uyx s GLN 13 Ca 0.02 -0.88 -0.18 0.00 0.02 0.00 0.00 55.36 54.33 1uyx s GLN 13 Cb 0.09 0.29 0.01 0.00 1.00 0.00 0.00 33.01 34.41 1uyx s GLN 13 CO 0.79 -0.21 0.65 1.14 -2.12 0.00 0.00 175.29 175.54 1uyx s GLN 14 N -3.36 1.74 -0.04 2.91 1.03 -1.26 -0.70 119.66 119.98 1uyx s GLN 14 Ca 0.01 -1.09 -0.02 0.00 0.04 0.00 0.00 55.36 54.31 1uyx s GLN 14 Cb 0.03 0.57 0.03 0.00 0.03 0.00 0.00 33.01 33.67 1uyx s GLN 14 CO -0.08 -0.78 0.09 0.45 -2.54 0.00 0.00 175.29 172.42 1uyx s SER 15 N -2.96 0.23 0.00 12.60 0.15 -0.38 -4.95 113.70 118.40 1uyx s SER 15 Ca 0.15 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1uyx s SER 15 Cb -0.04 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1uyx s SER 15 CO 0.08 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1uyx n GLY 16 N 4.47 1.03 3.77 9.45 0.00 -1.26 -2.21 105.19 120.45 1uyx n GLY 16 Ca -0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.11 3.02 -0.03 2.61 -4.23 -1.26 -4.70 115.64 107.94 1uyx s THR 17 Ca 0.00 -1.60 0.07 0.00 -1.18 0.00 0.00 61.69 58.98 1uyx s THR 17 Cb 0.00 -3.02 -0.02 0.00 1.34 0.00 0.00 72.50 70.80 1uyx s THR 17 CO 0.00 -0.14 -0.24 -1.58 -0.54 0.00 0.00 174.62 172.12 1uyx s GLN 18 N -3.91 2.08 0.02 3.99 0.74 -0.43 -4.97 119.66 117.19 1uyx s GLN 18 Ca 0.40 -0.85 -0.23 0.00 0.05 0.00 0.00 55.36 54.72 1uyx s GLN 18 Cb -0.03 -1.93 -0.05 0.00 1.10 0.00 0.00 33.01 32.10 1uyx s GLN 18 CO 0.24 0.47 0.68 -0.65 -0.55 0.00 0.00 175.29 175.48 1uyx s GLN 19 N -0.43 4.41 0.13 1.67 -0.21 -1.26 -0.42 119.66 123.55 1uyx s GLN 19 Ca 0.05 0.90 -0.10 0.00 0.02 0.00 0.00 55.36 56.23 1uyx s GLN 19 Cb -0.10 -3.35 0.00 0.00 1.00 0.00 0.00 33.01 30.56 1uyx s GLN 19 CO 0.00 0.33 0.27 -1.83 -2.12 0.00 0.00 175.29 171.95 1uyx s GLU 20 N -0.16 1.04 0.22 2.91 -1.05 -0.54 -4.96 118.70 116.17 1uyx s GLU 20 Ca 0.35 -1.02 -0.30 0.00 -0.15 0.00 0.00 54.97 53.84 1uyx s GLU 20 Cb -0.19 0.38 -0.09 0.00 -0.44 0.00 0.00 34.13 33.79 1uyx s GLU 20 CO 0.20 -0.37 1.22 0.99 0.95 0.00 0.00 175.26 178.25 1uyx s THR 21 N -3.90 3.39 0.02 1.83 2.01 -1.26 -0.63 115.64 117.09 1uyx s THR 21 Ca 0.11 1.21 0.02 0.00 0.31 0.00 0.00 61.69 63.34 1uyx s THR 21 Cb 0.03 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1uyx s THR 21 CO -0.06 0.21 0.01 0.28 -0.69 0.00 0.00 174.62 174.37 1uyx s THR 22 N -0.28 4.15 -1.88 -0.82 -1.32 -0.85 -4.71 115.64 109.93 1uyx s THR 22 Ca 0.52 -0.69 0.21 0.00 -1.21 0.00 0.00 61.69 60.52 1uyx s THR 22 Cb -0.34 -2.89 0.57 0.00 -1.51 0.00 0.00 72.50 68.33 1uyx s THR 22 CO 0.39 0.31 1.48 0.35 -2.21 0.00 0.00 174.62 174.93 1uyx n THR 23 N 1.16 0.93 -0.67 5.08 -2.24 -1.26 -4.13 114.28 113.14 1uyx n THR 23 Ca -0.13 -0.96 -0.31 0.00 -2.27 0.00 0.00 64.05 60.38 1uyx n THR 23 Cb 0.52 0.57 0.18 0.00 -2.10 0.00 0.00 70.33 69.50 1uyx n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uyx s ASP 24 N -1.06 2.70 0.06 3.42 2.15 -1.26 -4.83 116.67 117.86 1uyx s ASP 24 Ca 0.44 2.14 -0.37 0.00 0.43 0.00 0.00 52.55 55.19 1uyx s ASP 24 Cb 0.23 -2.55 -0.17 0.00 -0.30 0.00 0.00 42.92 40.14 1uyx s ASP 24 CO 0.31 -3.23 1.38 0.41 -0.17 0.00 0.00 175.17 173.86 1uyx n THR 25 N -4.32 0.02 -0.01 1.71 -1.04 -1.26 -1.19 114.28 108.20 1uyx n THR 25 Ca 0.11 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1uyx n THR 25 Cb 0.52 -0.87 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 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 2.66 1.16 7.00 3.41 0.00 -1.26 -4.97 105.19 113.19 1uyx n GLY 26 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 1.03 2.69 -0.02 0.00 -0.33 -4.99 105.19 101.56 1uyx n GLY 27 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.78 3.25 -0.02 0.00 -1.26 -4.82 105.19 103.12 1uyx n GLY 28 Ca 0.00 -1.29 -0.17 0.00 0.00 0.00 0.00 46.02 44.56 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 1.06 0.23 1.61 -0.14 -1.26 -2.02 119.74 119.22 1uyx s LYS 29 Ca 0.00 -1.31 0.05 0.00 -1.36 0.00 0.00 55.97 53.34 1uyx s LYS 29 Cb 0.00 -0.86 -0.05 0.00 -1.68 0.00 0.00 37.83 35.24 1uyx s LYS 29 CO 0.00 0.15 -0.04 0.54 -0.76 0.00 0.00 175.35 175.25 1uyx s ASN 30 N -2.68 2.13 -0.02 2.83 2.20 0.20 -4.72 114.94 114.87 1uyx s ASN 30 Ca 0.12 -1.18 -0.17 0.00 -0.94 0.00 0.00 52.86 50.69 1uyx s ASN 30 Cb -0.03 -0.05 -0.05 0.00 -2.00 0.00 0.00 41.25 39.12 1uyx s ASN 30 CO 0.03 -0.43 0.47 -0.69 -2.94 0.00 0.00 177.10 173.54 1uyx s VAL 31 N -3.27 5.00 0.00 3.54 1.01 0.11 -1.46 120.40 125.33 1uyx s VAL 31 Ca 0.27 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.23 1uyx s VAL 31 Cb 0.05 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1uyx s VAL 31 CO 0.09 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1uyx n GLY 32 N 2.26 4.21 3.97 4.51 0.00 0.44 -1.51 105.19 119.07 1uyx n GLY 32 Ca -0.11 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 -1.62 -3.23 1.61 4.02 -1.26 -1.32 117.16 115.36 1uyx n TYR 33 Ca 0.00 0.74 -0.39 0.00 -0.01 0.00 0.00 57.90 58.24 1uyx n TYR 33 Cb 0.00 -3.69 -0.06 0.00 -0.02 0.00 0.00 39.34 35.56 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 -3.99 5.11 0.26 -0.72 1.01 -1.26 -4.39 121.20 117.21 1uyx s ILE 34 Ca 0.00 1.02 0.11 0.00 0.00 0.00 0.00 60.65 61.78 1uyx s ILE 34 Cb -0.00 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 1uyx s ILE 34 CO 0.89 0.20 -0.20 -1.81 0.00 0.00 0.00 174.94 174.03 1uyx s ASP 35 N 1.02 3.42 0.12 3.58 1.01 -1.26 -2.17 116.67 122.40 1uyx s ASP 35 Ca 0.26 -1.00 -0.35 0.00 0.71 0.00 0.00 52.55 52.17 1uyx s ASP 35 Cb -0.16 -0.27 -0.16 0.00 1.01 0.00 0.00 42.92 43.35 1uyx s ASP 35 CO 0.10 0.03 1.41 0.00 0.21 0.00 0.00 175.17 176.92 1uyx n ALA 36 N -0.43 -0.12 0.00 5.23 0.00 -1.26 -1.29 120.51 122.64 1uyx n ALA 36 Ca -0.07 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1uyx n ALA 36 Cb 0.59 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 2.76 2.96 3.76 0.00 0.00 -0.15 -4.98 105.19 109.54 1uyx n GLY 37 Ca 0.17 0.00 -0.32 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 -1.19 4.77 0.17 1.61 1.01 -0.41 -4.82 116.67 117.80 1uyx s ASP 38 Ca 0.00 1.95 -0.16 0.00 0.71 0.00 0.00 52.55 55.05 1uyx s ASP 38 Cb 0.00 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.42 1uyx s ASP 38 CO 0.00 -1.86 0.46 -1.66 0.21 0.00 0.00 175.17 172.32 1uyx s TRP 39 N -2.55 -0.12 -0.04 4.23 1.48 -0.94 -1.14 118.94 119.87 1uyx s TRP 39 Ca 0.65 -0.21 0.01 0.00 -1.06 0.00 0.00 56.10 55.49 1uyx s TRP 39 Cb -0.20 0.31 0.02 0.00 -1.16 0.00 0.00 33.47 32.44 1uyx s TRP 39 CO 0.48 -0.82 -0.05 -0.51 -4.06 0.00 0.00 176.95 171.98 1uyx s LEU 40 N -2.85 1.50 -0.07 -4.66 1.43 -0.10 -1.24 118.68 112.68 1uyx s LEU 40 Ca 0.07 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1uyx s LEU 40 Cb 0.00 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.76 1uyx s LEU 40 CO -0.06 -0.02 -0.18 -0.55 0.23 0.00 0.00 176.35 175.77 1uyx s SER 41 N 0.65 3.62 -0.27 2.29 0.15 0.13 -1.09 113.70 119.18 1uyx s SER 41 Ca -0.09 -0.36 0.09 0.00 0.70 0.00 0.00 55.95 56.29 1uyx s SER 41 Cb -0.12 -1.02 0.47 0.00 -1.71 0.00 0.00 66.02 63.64 1uyx s SER 41 CO 0.00 0.26 1.36 -1.22 1.20 0.00 0.00 173.24 174.84 1uyx n TYR 42 N 2.86 0.82 0.25 3.44 4.02 -0.03 -0.92 117.16 127.60 1uyx n TYR 42 Ca -0.17 -1.64 0.10 0.00 -0.01 0.00 0.00 57.90 56.17 1uyx n TYR 42 Cb 0.52 -0.41 0.65 0.00 -0.02 0.00 0.00 39.34 40.08 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 1.10 1.49 0.00 -0.72 0.00 -1.87 -2.35 119.26 116.91 1uyx h ALA 43 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1uyx h ALA 43 Cb 1.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1uyx h ALA 43 CO 0.29 0.17 0.00 0.78 0.00 0.00 0.00 179.25 180.49 1uyx h GLY 44 N 0.63 0.00 -6.66 0.00 0.00 -1.94 -3.32 103.07 91.78 1uyx h GLY 44 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1uyx h GLY 44 CO 0.02 0.00 -0.73 -1.30 0.00 0.00 0.00 176.54 174.52 1uyx n THR 45 N -2.55 0.75 -1.84 4.70 -2.24 -0.88 -5.07 114.28 107.14 1uyx n THR 45 Ca 0.01 -4.45 -0.39 0.00 -2.27 0.00 0.00 64.05 56.95 1uyx n THR 45 Cb 0.24 -2.01 0.02 0.00 -2.10 0.00 0.00 70.33 66.48 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 -1.17 3.54 -0.06 -0.78 0.02 -1.25 -4.87 135.00 130.42 1uyx s PRO 46 Ca 0.30 2.30 0.04 0.00 0.02 0.00 0.00 61.00 63.66 1uyx s PRO 46 Cb 0.03 -2.52 -0.02 0.00 0.02 0.00 0.00 34.50 32.00 1uyx s PRO 46 CO -0.15 -0.90 -0.17 0.08 -0.33 0.00 0.00 177.00 175.53 1uyx s VAL 47 N -1.26 2.79 -0.03 3.83 1.01 0.01 -4.92 120.40 121.84 1uyx s VAL 47 Ca 0.64 -0.81 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 1uyx s VAL 47 Cb -0.41 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 1uyx s VAL 47 CO 0.52 0.57 0.62 0.21 0.00 0.00 0.00 175.10 177.02 1uyx s ASN 48 N -0.40 6.96 -0.29 3.32 3.84 -1.26 -0.48 114.94 126.62 1uyx s ASN 48 Ca 0.04 1.14 -0.09 0.00 0.21 0.00 0.00 52.86 54.16 1uyx s ASN 48 Cb -0.12 -2.37 -0.02 0.00 -0.55 0.00 0.00 41.25 38.19 1uyx s ASN 48 CO 0.02 0.03 0.14 -0.63 -2.79 0.00 0.00 177.10 173.87 1uyx s ILE 49 N 0.17 4.66 0.16 -5.21 -1.09 0.02 -4.97 121.20 114.93 1uyx s ILE 49 Ca 0.32 -0.27 0.19 0.00 -2.23 0.00 0.00 60.65 58.66 1uyx s ILE 49 Cb -0.18 -3.31 0.14 0.00 -1.58 0.00 0.00 42.46 37.54 1uyx s ILE 49 CO 0.17 0.15 1.73 1.55 -1.23 0.00 0.00 174.94 177.32 1uyx h PRO 50 N 8.33 0.00 -2.54 2.79 0.13 -1.91 -0.42 132.00 138.38 1uyx h PRO 50 Ca -0.34 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.70 1uyx h PRO 50 Cb 1.16 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.09 1uyx h PRO 50 CO 0.60 0.36 -0.06 -1.54 -0.23 0.00 0.00 178.00 177.13 1uyx s SER 51 N -6.42 -0.42 0.28 1.44 1.04 -1.26 -4.85 113.70 103.51 1uyx s SER 51 Ca 0.00 0.43 -0.29 0.00 0.48 0.00 0.00 55.95 56.57 1uyx s SER 51 Cb 0.11 0.46 -0.10 0.00 0.10 0.00 0.00 66.02 66.59 1uyx s SER 51 CO 0.68 -0.50 1.30 -0.44 0.98 0.00 0.00 173.24 175.26 1uyx s SER 52 N -1.17 6.85 0.00 7.02 0.01 -1.26 -4.40 113.70 120.75 1uyx s SER 52 Ca -0.12 2.56 0.00 0.00 1.31 0.00 0.00 55.95 59.70 1uyx s SER 52 Cb -0.03 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1uyx s SER 52 CO 0.07 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 173.82 1uyx n GLY 53 N 1.45 0.25 3.72 3.44 0.00 -0.63 -4.93 105.19 108.48 1uyx n GLY 53 Ca 0.02 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 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 7.35 0.05 1.61 0.15 -1.26 -1.33 113.70 116.27 1uyx s SER 54 Ca 0.00 1.62 0.05 0.00 0.70 0.00 0.00 55.95 58.32 1uyx s SER 54 Cb 0.00 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 1uyx s SER 54 CO 0.00 -0.15 -0.15 -0.31 1.20 0.00 0.00 173.24 173.83 1uyx s TYR 55 N 0.53 1.32 -0.26 3.44 1.51 -0.18 -3.76 117.35 119.96 1uyx s TYR 55 Ca 0.47 -0.38 -0.12 0.00 -1.01 0.00 0.00 57.07 56.02 1uyx s TYR 55 Cb -0.21 -0.77 -0.05 0.00 -0.11 0.00 0.00 41.96 40.82 1uyx s TYR 55 CO 0.27 0.06 0.25 -1.17 -1.11 0.00 0.00 175.55 173.84 1uyx s LEU 56 N -1.33 4.06 -0.20 -1.29 2.96 -0.11 -1.64 118.68 121.12 1uyx s LEU 56 Ca 0.02 0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 54.01 1uyx s LEU 56 Cb -0.09 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 1uyx s LEU 56 CO 0.02 -0.06 0.05 -0.63 -1.32 0.00 0.00 176.35 174.40 1uyx s ILE 57 N 1.63 4.44 0.00 6.68 -1.09 0.15 -0.81 121.20 132.20 1uyx s ILE 57 Ca 0.10 -0.15 0.03 0.00 -2.23 0.00 0.00 60.65 58.41 1uyx s ILE 57 Cb -0.15 -3.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.68 1uyx s ILE 57 CO 0.09 0.42 -0.07 -1.61 -1.23 0.00 0.00 174.94 172.54 1uyx s GLU 58 N 0.82 2.54 -0.06 2.79 2.02 0.36 -1.72 118.70 125.45 1uyx s GLU 58 Ca 0.03 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.31 1uyx s GLU 58 Cb -0.14 -2.50 0.02 0.00 0.10 0.00 0.00 34.13 31.61 1uyx s GLU 58 CO 0.02 0.60 -0.10 0.71 0.02 0.00 0.00 175.26 176.52 1uyx s TYR 59 N -0.99 1.23 -0.43 1.61 1.51 -0.13 -1.10 117.35 119.05 1uyx s TYR 59 Ca 0.17 -0.43 -0.19 0.00 -1.01 0.00 0.00 57.07 55.61 1uyx s TYR 59 Cb -0.11 -0.94 0.02 0.00 -0.11 0.00 0.00 41.96 40.82 1uyx s TYR 59 CO 0.07 -0.25 0.51 0.50 -1.11 0.00 0.00 175.55 175.28 1uyx s ARG 60 N 0.75 3.17 0.13 -0.62 6.06 -0.59 -1.32 118.95 126.53 1uyx s ARG 60 Ca -0.13 -0.62 0.04 0.00 -2.50 0.00 0.00 55.73 52.52 1uyx s ARG 60 Cb -0.15 -3.96 -0.04 0.00 0.06 0.00 0.00 34.95 30.86 1uyx s ARG 60 CO 0.03 -0.91 -0.10 0.14 -2.50 0.00 0.00 175.30 171.96 1uyx s VAL 61 N 2.38 1.09 -0.00 7.11 -7.23 -0.12 -0.97 120.40 122.66 1uyx s VAL 61 Ca 0.16 -1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1uyx s VAL 61 Cb -0.16 -1.69 -0.00 0.00 0.56 0.00 0.00 36.38 35.08 1uyx s VAL 61 CO 0.16 -0.69 0.05 0.00 -0.31 0.00 0.00 175.10 174.31 1uyx s ALA 62 N -3.04 -0.12 -0.27 1.32 0.00 -0.91 -1.32 121.76 117.42 1uyx s ALA 62 Ca 0.13 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 1uyx s ALA 62 Cb 0.01 0.02 0.10 0.00 0.00 0.00 0.00 23.12 23.26 1uyx s ALA 62 CO 0.00 -0.12 0.61 0.45 0.00 0.00 0.00 175.76 176.70 1uyx s SER 63 N -0.79 -0.90 0.07 0.00 0.15 -1.19 -0.39 113.70 110.65 1uyx s SER 63 Ca -0.09 1.41 -0.21 0.00 0.70 0.00 0.00 55.95 57.77 1uyx s SER 63 Cb -0.05 1.77 -0.11 0.00 -1.71 0.00 0.00 66.02 65.92 1uyx s SER 63 CO 0.00 -0.23 1.54 -0.61 1.20 0.00 0.00 173.24 175.15 1uyx h GLN 64 N 7.66 0.28 -0.00 5.44 5.75 -1.75 -0.18 115.11 132.31 1uyx h GLN 64 Ca -0.23 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 1uyx h GLN 64 Cb 1.15 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.66 1uyx h GLN 64 CO 0.14 0.45 -0.03 0.09 -2.65 0.00 0.00 178.83 176.82 1uyx n ASN 65 N -4.78 0.63 -0.27 -0.69 3.02 -1.26 -4.22 115.26 107.69 1uyx n ASN 65 Ca -0.05 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1uyx n ASN 65 Cb 0.18 0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 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 0.54 -1.68 1.03 7.41 0.00 -1.26 -4.75 105.19 106.48 1uyx n GLY 66 Ca 0.01 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 0.87 3.87 -0.02 0.00 -1.24 -4.86 105.19 103.81 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 -1.71 1.64 0.02 -0.02 0.00 -1.23 -4.72 107.32 101.31 1uyx s GLY 68 Ca 0.00 -0.15 -0.25 0.00 0.00 0.00 0.00 44.72 44.31 1uyx s GLY 68 CO 0.00 0.12 0.58 -1.35 0.00 0.00 0.00 173.10 172.45 1uyx s SER 69 N -4.19 -0.53 0.11 1.64 1.04 -1.02 -1.08 113.70 109.66 1uyx s SER 69 Ca 0.55 0.35 0.01 0.00 0.48 0.00 0.00 55.95 57.34 1uyx s SER 69 Cb -0.11 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1uyx s SER 69 CO 0.53 -0.70 -0.04 -1.48 0.98 0.00 0.00 173.24 172.52 1uyx s LEU 70 N -1.76 2.40 -0.15 2.42 0.05 -0.70 -1.21 118.68 119.74 1uyx s LEU 70 Ca -0.07 -1.04 0.00 0.00 0.05 0.00 0.00 54.13 53.07 1uyx s LEU 70 Cb -0.01 -0.02 -0.00 0.00 -2.05 0.00 0.00 46.19 44.11 1uyx s LEU 70 CO 0.01 -0.51 -0.15 -0.89 -0.55 0.00 0.00 176.35 174.26 1uyx s THR 71 N -3.68 2.68 -0.20 5.48 2.01 0.39 -1.85 115.64 120.47 1uyx s THR 71 Ca 0.14 -0.77 -0.12 0.00 0.31 0.00 0.00 61.69 61.25 1uyx s THR 71 Cb 0.06 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 1uyx s THR 71 CO -0.04 0.52 0.22 0.12 -0.69 0.00 0.00 174.62 174.75 1uyx s PHE 72 N 0.72 3.40 0.21 4.92 5.36 0.07 -1.28 117.98 131.37 1uyx s PHE 72 Ca -0.07 0.42 -0.06 0.00 -0.96 0.00 0.00 56.93 56.26 1uyx s PHE 72 Cb -0.16 -2.29 0.02 0.00 -0.34 0.00 0.00 43.02 40.26 1uyx s PHE 72 CO 0.01 0.18 0.39 -0.85 -1.46 0.00 0.00 175.22 173.49 1uyx n GLU 73 N 3.85 0.55 -3.03 10.12 0.28 -0.41 -0.79 120.64 131.21 1uyx n GLU 73 Ca -0.14 -1.30 -0.32 0.00 -0.16 0.00 0.00 57.16 55.25 1uyx n GLU 73 Cb 0.52 1.50 -0.05 0.00 1.43 0.00 0.00 31.44 34.83 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 -2.15 3.97 0.16 3.44 0.41 -0.91 -0.92 118.70 122.69 1uyx s GLU 74 Ca 0.11 0.66 -0.34 0.00 -0.41 0.00 0.00 54.97 54.99 1uyx s GLU 74 Cb -0.02 -2.39 -0.15 0.00 -1.78 0.00 0.00 34.13 29.79 1uyx s GLU 74 CO 0.08 0.09 1.43 0.00 -0.49 0.00 0.00 175.26 176.37 1uyx n ALA 75 N -0.63 0.49 0.00 5.21 0.00 0.94 -1.67 120.51 124.85 1uyx n ALA 75 Ca 0.04 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1uyx n ALA 75 Cb 0.53 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 2.75 2.86 0.00 0.00 0.00 -1.26 -4.65 105.19 104.89 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 -0.73 1.84 3.30 -0.02 0.00 -0.67 -5.10 105.19 103.80 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 -1.81 -1.00 0.53 4.61 0.00 -1.25 -4.25 121.76 118.58 1uyx s ALA 78 Ca 0.00 0.86 -0.18 0.00 0.00 0.00 0.00 51.96 52.64 1uyx s ALA 78 Cb 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 1uyx s ALA 78 CO 0.00 -0.23 1.05 -1.25 0.00 0.00 0.00 175.76 175.33 1uyx s PRO 79 N -0.49 3.59 0.06 0.00 0.04 -1.26 -4.61 135.00 132.34 1uyx s PRO 79 Ca -0.06 1.31 -0.25 0.00 0.04 0.00 0.00 61.00 62.04 1uyx s PRO 79 Cb -0.04 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1uyx s PRO 79 CO 0.03 -0.60 0.77 0.08 0.04 0.00 0.00 177.00 177.32 1uyx s VAL 80 N -2.16 4.68 -0.22 -0.36 1.01 -1.26 -2.14 120.40 119.96 1uyx s VAL 80 Ca 0.66 1.65 -0.01 0.00 0.00 0.00 0.00 61.98 64.28 1uyx s VAL 80 Cb -0.17 -4.12 -0.20 0.00 0.00 0.00 0.00 36.38 31.90 1uyx s VAL 80 CO 0.27 0.39 -0.05 1.41 0.00 0.00 0.00 175.10 177.11 1uyx n HIS 81 N 2.64 0.38 -3.62 5.22 -0.00 0.03 -4.98 115.22 114.90 1uyx n HIS 81 Ca -0.03 0.08 0.04 0.00 -0.00 0.00 0.00 57.72 57.81 1uyx n HIS 81 Cb 0.50 -1.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.44 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 -6.22 -0.46 0.15 -1.41 0.00 -0.96 -4.57 107.32 93.85 1uyx s GLY 82 Ca -0.31 0.85 0.06 0.00 0.00 0.00 0.00 44.72 45.32 1uyx s GLY 82 CO 0.65 1.01 -0.13 -0.51 0.00 0.00 0.00 173.10 174.12 1uyx s THR 83 N -2.04 1.37 -0.19 0.90 -4.23 -1.26 -0.75 115.64 109.44 1uyx s THR 83 Ca 0.17 -1.99 -0.17 0.00 -1.18 0.00 0.00 61.69 58.53 1uyx s THR 83 Cb 0.07 -1.79 0.05 0.00 1.34 0.00 0.00 72.50 72.17 1uyx s THR 83 CO -0.06 -0.60 0.49 -0.51 -0.54 0.00 0.00 174.62 173.40 1uyx s ILE 84 N -2.84 -0.00 0.23 2.99 2.07 -0.77 -5.01 121.20 117.87 1uyx s ILE 84 Ca 0.16 0.01 -0.25 0.00 -1.41 0.00 0.00 60.65 59.15 1uyx s ILE 84 Cb -0.01 -0.69 -0.09 0.00 0.13 0.00 0.00 42.46 41.80 1uyx s ILE 84 CO 0.03 0.00 0.84 0.00 -1.91 0.00 0.00 174.94 173.90 1uyx s ALA 85 N 0.39 3.36 -0.28 1.50 0.00 -1.26 -1.72 121.76 123.75 1uyx s ALA 85 Ca -0.01 0.42 -0.06 0.00 0.00 0.00 0.00 51.96 52.30 1uyx s ALA 85 Cb -0.04 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 20.05 1uyx s ALA 85 CO -0.01 0.26 0.06 0.42 0.00 0.00 0.00 175.76 176.49 1uyx s ILE 86 N -1.34 3.86 0.68 0.00 1.01 -0.24 -4.96 121.20 120.21 1uyx s ILE 86 Ca 0.42 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 1uyx s ILE 86 Cb -0.21 -2.96 -0.00 0.00 0.01 0.00 0.00 42.46 39.29 1uyx s ILE 86 CO 0.26 0.13 1.05 -2.16 0.00 0.00 0.00 174.94 174.23 1uyx s PRO 87 N 1.49 3.09 0.27 2.79 0.04 -1.26 -3.57 135.00 137.86 1uyx s PRO 87 Ca 0.03 0.84 -0.30 0.00 0.04 0.00 0.00 61.00 61.61 1uyx s PRO 87 Cb -0.17 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 1uyx s PRO 87 CO 0.02 -0.96 1.42 0.00 0.04 0.00 0.00 177.00 177.52 1uyx s ALA 88 N -3.11 3.60 -0.48 8.56 0.00 -1.26 -4.46 121.76 124.60 1uyx s ALA 88 Ca 0.57 1.33 0.08 0.00 0.00 0.00 0.00 51.96 53.94 1uyx s ALA 88 Cb -0.13 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 1uyx s ALA 88 CO 0.54 -0.74 0.40 0.25 0.00 0.00 0.00 175.76 176.21 1uyx n THR 89 N 1.90 0.00 0.00 0.00 -2.24 -0.10 -4.92 114.28 108.92 1uyx n THR 89 Ca 0.05 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1uyx n THR 89 Cb 0.40 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 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 1.06 2.73 3.53 3.38 0.00 -1.13 -4.87 105.19 109.90 1uyx n GLY 90 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.48 -0.43 0.58 -0.02 0.00 -1.24 -4.83 107.32 98.90 1uyx s GLY 91 Ca 0.00 1.00 0.37 0.00 0.00 0.00 0.00 44.72 46.10 1uyx s GLY 91 CO 0.00 0.33 2.12 1.49 0.00 0.00 0.00 173.10 177.04 1uyx h TRP 92 N 2.00 0.00 -0.06 1.90 -0.00 -1.91 -2.64 115.95 115.24 1uyx h TRP 92 Ca -0.21 0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.57 1uyx h TRP 92 Cb 1.23 0.00 -0.19 0.00 -0.00 0.00 0.00 29.16 30.21 1uyx h TRP 92 CO 0.27 0.00 -0.74 1.04 -0.00 0.00 0.00 178.44 179.01 1uyx n GLN 93 N -3.03 1.11 -3.68 0.49 1.13 -1.26 -4.75 117.38 107.39 1uyx n GLN 93 Ca -0.01 -2.87 -0.39 0.00 -1.94 0.00 0.00 57.00 51.79 1uyx n GLN 93 Cb 0.20 -1.05 -0.12 0.00 0.11 0.00 0.00 30.24 29.39 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 -2.12 4.28 0.02 5.09 2.01 -1.00 -4.76 115.64 119.16 1uyx s THR 94 Ca 0.37 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1uyx s THR 94 Cb 0.38 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1uyx s THR 94 CO -0.10 -0.08 0.04 0.26 -0.69 0.00 0.00 174.62 174.05 1uyx s TRP 95 N 1.53 3.16 0.08 4.92 0.52 -1.26 -4.36 118.94 123.52 1uyx s TRP 95 Ca 0.02 0.11 -0.09 0.00 0.02 0.00 0.00 56.10 56.16 1uyx s TRP 95 Cb -0.18 -1.67 0.00 0.00 -1.15 0.00 0.00 33.47 30.46 1uyx s TRP 95 CO 0.05 0.50 0.20 -0.08 0.02 0.00 0.00 176.95 177.64 1uyx s THR 96 N -1.19 0.13 -0.20 2.01 -1.32 -0.43 -4.98 115.64 109.65 1uyx s THR 96 Ca 0.23 -1.10 -0.06 0.00 -1.21 0.00 0.00 61.69 59.55 1uyx s THR 96 Cb -0.12 -1.24 -0.03 0.00 -1.51 0.00 0.00 72.50 69.61 1uyx s THR 96 CO 0.14 -0.61 0.02 -0.89 -2.21 0.00 0.00 174.62 171.08 1uyx s THR 97 N -3.55 4.20 0.34 5.08 2.01 -1.26 -0.94 115.64 121.51 1uyx s THR 97 Ca 0.03 -0.23 0.09 0.00 0.31 0.00 0.00 61.69 61.88 1uyx s THR 97 Cb 0.03 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 1uyx s THR 97 CO -0.09 0.42 0.08 0.27 -0.69 0.00 0.00 174.62 174.61 1uyx s ILE 98 N 0.93 2.83 0.04 1.82 -4.36 -0.43 -4.95 121.20 117.08 1uyx s ILE 98 Ca 0.02 -1.83 -0.22 0.00 -0.26 0.00 0.00 60.65 58.37 1uyx s ILE 98 Cb -0.14 -2.89 0.05 0.00 1.25 0.00 0.00 42.46 40.72 1uyx s ILE 98 CO 0.02 -0.19 0.50 0.00 0.24 0.00 0.00 174.94 175.51 1uyx s GLN 99 N -3.78 1.01 0.23 0.37 -2.07 -1.26 -0.96 119.66 113.20 1uyx s GLN 99 Ca 0.36 -0.25 -0.12 0.00 -1.82 0.00 0.00 55.36 53.53 1uyx s GLN 99 Cb -0.01 0.46 -0.01 0.00 -1.09 0.00 0.00 33.01 32.36 1uyx s GLN 99 CO 0.21 -0.36 0.43 -3.38 -1.32 0.00 0.00 175.29 170.87 1uyx s HIS 100 N -2.43 0.39 0.06 9.60 -3.43 -0.70 -5.00 115.29 113.78 1uyx s HIS 100 Ca -0.05 -0.74 0.02 0.00 -0.80 0.00 0.00 55.06 53.49 1uyx s HIS 100 Cb -0.01 0.12 -0.04 0.00 -1.43 0.00 0.00 32.58 31.23 1uyx s HIS 100 CO -0.02 -0.93 0.07 0.95 -2.00 0.00 0.00 174.74 172.81 1uyx s THR 101 N -4.01 4.52 0.05 -5.38 -4.23 -1.26 -0.68 115.64 104.64 1uyx s THR 101 Ca 0.22 -0.69 -0.02 0.00 -1.18 0.00 0.00 61.69 60.02 1uyx s THR 101 Cb 0.00 -3.14 -0.03 0.00 1.34 0.00 0.00 72.50 70.68 1uyx s THR 101 CO 0.07 0.19 0.02 0.68 -0.54 0.00 0.00 174.62 175.04 1uyx s VAL 102 N -1.32 0.18 0.02 2.29 -7.23 -0.65 -4.94 120.40 108.75 1uyx s VAL 102 Ca 0.27 -1.47 -0.23 0.00 -1.81 0.00 0.00 61.98 58.75 1uyx s VAL 102 Cb -0.12 -1.18 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 1uyx s VAL 102 CO 0.19 -0.81 0.68 0.21 -0.31 0.00 0.00 175.10 175.07 1uyx s ASN 103 N -2.53 7.09 -0.01 4.85 3.84 -1.26 -1.01 114.94 125.91 1uyx s ASN 103 Ca 0.01 1.30 0.04 0.00 0.21 0.00 0.00 52.86 54.42 1uyx s ASN 103 Cb 0.03 -2.42 -0.01 0.00 -0.55 0.00 0.00 41.25 38.30 1uyx s ASN 103 CO -0.08 0.05 -0.14 -0.76 -2.79 0.00 0.00 177.10 173.38 1uyx s LEU 104 N -0.09 2.00 0.46 3.21 1.43 -0.44 -4.90 118.68 120.35 1uyx s LEU 104 Ca 0.35 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 52.99 1uyx s LEU 104 Cb -0.19 -0.74 -0.10 0.00 0.03 0.00 0.00 46.19 45.19 1uyx s LEU 104 CO 0.20 0.17 0.98 -0.94 0.23 0.00 0.00 176.35 176.99 1uyx s SER 105 N -0.27 6.71 0.50 2.29 1.04 -1.26 -1.61 113.70 121.08 1uyx s SER 105 Ca 0.04 1.72 -0.23 0.00 0.48 0.00 0.00 55.95 57.97 1uyx s SER 105 Cb -0.06 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.46 1uyx s SER 105 CO -0.00 -0.53 1.31 0.00 0.98 0.00 0.00 173.24 175.00 1uyx s ALA 106 N -2.23 2.96 0.00 5.32 0.00 -1.26 -4.73 121.76 121.81 1uyx s ALA 106 Ca 0.63 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.81 1uyx s ALA 106 Cb -0.11 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1uyx s ALA 106 CO 0.19 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.27 1uyx n GLY 107 N 0.63 0.45 3.74 0.00 0.00 -0.17 -4.94 105.19 104.90 1uyx n GLY 107 Ca 0.08 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 1uyx n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uyx s SER 108 N -4.00 7.39 0.08 1.61 1.04 -1.26 -0.80 113.70 117.76 1uyx s SER 108 Ca 0.00 1.66 0.08 0.00 0.48 0.00 0.00 55.95 58.17 1uyx s SER 108 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 1uyx s SER 108 CO 0.00 -0.03 -0.22 -1.00 0.98 0.00 0.00 173.24 172.97 1uyx s HIS 109 N -0.05 1.89 -0.33 5.02 4.02 0.37 -4.96 115.29 121.25 1uyx s HIS 109 Ca 0.43 -0.40 0.04 0.00 1.02 0.00 0.00 55.06 56.15 1uyx s HIS 109 Cb -0.22 -1.07 0.09 0.00 -1.02 0.00 0.00 32.58 30.36 1uyx s HIS 109 CO 0.27 0.18 0.03 -0.65 1.02 0.00 0.00 174.74 175.59 1uyx s GLN 110 N -1.63 1.60 0.50 1.40 -0.21 -1.26 -0.81 119.66 119.25 1uyx s GLN 110 Ca 0.08 -1.80 -0.11 0.00 0.02 0.00 0.00 55.36 53.55 1uyx s GLN 110 Cb -0.10 -3.17 -0.06 0.00 1.00 0.00 0.00 33.01 30.69 1uyx s GLN 110 CO 0.03 -0.89 0.89 -0.06 -2.12 0.00 0.00 175.29 173.15 1uyx s PHE 111 N 0.93 3.52 0.09 0.91 0.40 -1.26 -0.04 117.98 122.53 1uyx s PHE 111 Ca 0.08 1.17 -0.12 0.00 -0.60 0.00 0.00 56.93 57.46 1uyx s PHE 111 Cb -0.19 -2.57 0.02 0.00 0.51 0.00 0.00 43.02 40.78 1uyx s PHE 111 CO -0.07 -0.34 0.29 0.20 0.70 0.00 0.00 175.22 175.99 1uyx s GLY 112 N -3.54 -0.08 -0.06 4.36 0.00 -0.10 -0.85 107.32 107.05 1uyx s GLY 112 Ca 0.53 -0.29 0.02 0.00 0.00 0.00 0.00 44.72 44.98 1uyx s GLY 112 CO 0.39 -0.51 -0.09 -0.42 0.00 0.00 0.00 173.10 172.47 1uyx s ILE 113 N -3.54 0.92 -0.12 0.90 1.01 -0.25 -1.29 121.20 118.83 1uyx s ILE 113 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1uyx s ILE 113 Cb 0.03 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 1uyx s ILE 113 CO -0.10 0.31 -0.13 -0.75 0.00 0.00 0.00 174.94 174.27 1uyx s LYS 114 N 0.81 3.28 -0.12 2.79 2.47 -0.41 -0.92 119.74 127.64 1uyx s LYS 114 Ca -0.12 -0.68 -0.30 0.00 -1.56 0.00 0.00 55.97 53.31 1uyx s LYS 114 Cb -0.15 -2.61 -0.02 0.00 -1.46 0.00 0.00 37.83 33.60 1uyx s LYS 114 CO 0.02 0.27 1.14 0.00 0.16 0.00 0.00 175.35 176.93 1uyx s ALA 115 N 0.21 3.54 -0.14 3.13 0.00 -0.29 -0.46 121.76 127.75 1uyx s ALA 115 Ca -0.08 0.45 0.18 0.00 0.00 0.00 0.00 51.96 52.51 1uyx s ALA 115 Cb -0.15 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.32 1uyx s ALA 115 CO 0.05 -0.86 0.83 0.09 0.00 0.00 0.00 175.76 175.87 1uyx n ASN 116 N 5.64 0.81 -3.76 0.00 3.02 -0.35 -0.98 115.26 119.63 1uyx n ASN 116 Ca 0.11 0.35 -0.13 0.00 -0.03 0.00 0.00 54.58 54.88 1uyx n ASN 116 Cb 0.46 0.29 -0.10 0.00 -0.61 0.00 0.00 39.78 39.83 1uyx n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uyx s ALA 117 N -3.01 -0.81 0.55 5.41 0.00 -1.13 -4.67 121.76 118.10 1uyx s ALA 117 Ca -0.03 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1uyx s ALA 117 Cb 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1uyx s ALA 117 CO 0.81 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.79 1uyx n GLY 118 N 2.42 0.37 0.59 0.00 0.00 -1.26 -2.43 105.19 104.89 1uyx n GLY 118 Ca -0.16 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 1.19 3.20 -0.02 0.00 -0.92 -3.54 105.19 110.09 1uyx n GLY 119 Ca 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 0.48 0.20 1.61 1.48 -1.26 -4.29 118.94 115.15 1uyx s TRP 120 Ca 0.00 -0.90 0.11 0.00 -1.06 0.00 0.00 56.10 54.25 1uyx s TRP 120 Cb 0.00 -0.24 -0.04 0.00 -1.16 0.00 0.00 33.47 32.03 1uyx s TRP 120 CO 0.00 -0.55 -0.20 -0.80 -4.06 0.00 0.00 176.95 171.34 1uyx s ASN 121 N -2.95 3.65 -0.06 -2.66 0.01 0.48 -4.26 114.94 109.16 1uyx s ASN 121 Ca 0.13 -0.80 -0.00 0.00 -0.71 0.00 0.00 52.86 51.48 1uyx s ASN 121 Cb 0.06 -0.38 0.03 0.00 0.41 0.00 0.00 41.25 41.37 1uyx s ASN 121 CO -0.05 0.11 -0.01 -0.22 -1.51 0.00 0.00 177.10 175.42 1uyx s LEU 122 N -2.76 0.89 -0.22 0.60 2.96 -0.57 -2.14 118.68 117.44 1uyx s LEU 122 Ca 0.22 -0.09 -0.19 0.00 -0.22 0.00 0.00 54.13 53.85 1uyx s LEU 122 Cb -0.08 -0.42 -0.16 0.00 0.50 0.00 0.00 46.19 46.03 1uyx s LEU 122 CO 0.11 -0.14 0.03 -3.20 -1.32 0.00 0.00 176.35 171.83 1uyx n ASN 123 N 4.68 1.88 -3.75 3.68 5.15 -0.14 -0.71 115.26 126.05 1uyx n ASN 123 Ca -0.15 0.41 -0.08 0.00 -0.60 0.00 0.00 54.58 54.16 1uyx n ASN 123 Cb 0.50 -0.92 -0.02 0.00 -0.53 0.00 0.00 39.78 38.81 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 -2.41 -0.27 0.08 1.20 1.48 -1.25 -1.30 118.94 116.47 1uyx s TRP 124 Ca -0.31 -0.13 0.07 0.00 -1.06 0.00 0.00 56.10 54.68 1uyx s TRP 124 Cb 0.08 0.67 -0.03 0.00 -1.16 0.00 0.00 33.47 33.03 1uyx s TRP 124 CO 0.54 -1.14 -0.18 -1.50 -4.06 0.00 0.00 176.95 170.61 1uyx s ILE 125 N -3.88 1.46 -0.02 0.66 2.07 0.34 -1.54 121.20 120.30 1uyx s ILE 125 Ca 0.09 -1.40 0.00 0.00 -1.41 0.00 0.00 60.65 57.93 1uyx s ILE 125 Cb -0.05 -1.34 0.02 0.00 0.13 0.00 0.00 42.46 41.22 1uyx s ILE 125 CO 0.02 -0.10 -0.00 -0.60 -1.91 0.00 0.00 174.94 172.35 1uyx s ARG 126 N -1.75 0.22 -0.17 3.50 3.52 -0.26 -0.71 118.95 123.31 1uyx s ARG 126 Ca 0.03 0.05 -0.05 0.00 -0.13 0.00 0.00 55.73 55.63 1uyx s ARG 126 Cb -0.10 -0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 32.90 1uyx s ARG 126 CO 0.03 -0.09 0.01 0.42 -0.81 0.00 0.00 175.30 174.86 1uyx s ILE 127 N 0.72 4.31 0.04 4.11 1.01 -0.18 -0.48 121.20 130.73 1uyx s ILE 127 Ca -0.07 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.42 1uyx s ILE 127 Cb -0.10 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 1uyx s ILE 127 CO -0.01 0.48 -0.13 0.20 0.00 0.00 0.00 174.94 175.48 1uyx s ASN 128 N 0.32 1.55 0.71 3.58 0.01 0.01 -0.48 114.94 120.65 1uyx s ASN 128 Ca -0.00 -0.46 -0.11 0.00 -0.71 0.00 0.00 52.86 51.57 1uyx s ASN 128 Cb -0.13 -0.09 0.02 0.00 0.41 0.00 0.00 41.25 41.46 1uyx s ASN 128 CO 0.02 0.01 1.07 -1.59 -1.51 0.00 0.00 177.10 175.09 1uyx s LYS 129 N -1.18 2.79 0.00 -0.60 -2.85 -0.49 -0.94 119.74 116.47 1uyx s LYS 129 Ca 0.00 0.77 0.16 0.00 -1.00 0.00 0.00 55.97 55.90 1uyx s LYS 129 Cb -0.08 -1.99 0.13 0.00 -2.06 0.00 0.00 37.83 33.83 1uyx s LYS 129 CO 0.01 -1.15 1.00 0.25 0.10 0.00 0.00 175.35 175.56