#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uy0 s VAL 2 N 0.00 4.72 -0.16 1.12 1.01 -1.26 -0.49 120.40 125.33 1uy0 s VAL 2 Ca 0.00 2.01 -0.22 0.00 0.00 0.00 0.00 61.98 63.77 1uy0 s VAL 2 Cb 0.00 -4.29 -0.23 0.00 0.00 0.00 0.00 36.38 31.86 1uy0 s VAL 2 CO 0.00 -0.04 0.45 0.40 0.00 0.00 0.00 175.10 175.91 1uy0 h ILE 3 N 5.17 1.18 -2.25 2.22 1.08 -1.14 -3.48 117.51 120.30 1uy0 h ILE 3 Ca -0.29 -2.28 -0.07 0.00 -0.39 0.00 0.00 64.86 61.84 1uy0 h ILE 3 Cb 1.13 2.66 -0.21 0.00 -3.07 0.00 0.00 36.82 37.33 1uy0 h ILE 3 CO 0.88 0.49 0.03 0.00 -0.69 0.00 0.00 178.15 178.87 1uy0 s ALA 4 N -2.35 -1.53 -0.15 1.87 0.00 -1.09 -4.95 121.76 113.56 1uy0 s ALA 4 Ca -0.24 1.53 -0.02 0.00 0.00 0.00 0.00 51.96 53.23 1uy0 s ALA 4 Cb 0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1uy0 s ALA 4 CO 0.66 -0.31 -0.08 0.99 0.00 0.00 0.00 175.76 177.02 1uy0 s THR 5 N -0.17 3.42 -0.20 0.00 2.01 -1.26 -0.67 115.64 118.77 1uy0 s THR 5 Ca -0.04 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.45 1uy0 s THR 5 Cb -0.03 -2.48 0.03 0.00 0.01 0.00 0.00 72.50 70.03 1uy0 s THR 5 CO 0.03 0.50 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.66 1uy0 s ILE 6 N 0.46 2.05 0.22 1.82 1.01 0.29 -5.00 121.20 122.05 1uy0 s ILE 6 Ca -0.07 -1.10 -0.30 0.00 0.00 0.00 0.00 60.65 59.18 1uy0 s ILE 6 Cb -0.15 -1.94 -0.09 0.00 0.01 0.00 0.00 42.46 40.28 1uy0 s ILE 6 CO 0.04 0.38 1.40 -1.10 0.00 0.00 0.00 174.94 175.65 1uy0 s GLN 7 N 1.26 4.31 0.43 2.79 -1.52 -1.26 -0.71 119.66 124.95 1uy0 s GLN 7 Ca 0.01 2.20 0.12 0.00 -1.95 0.00 0.00 55.36 55.75 1uy0 s GLN 7 Cb -0.15 -3.15 0.93 0.00 -0.22 0.00 0.00 33.01 30.42 1uy0 s GLN 7 CO -0.11 -0.37 1.98 0.00 -0.25 0.00 0.00 175.29 176.54 1uy0 h ALA 8 N 5.36 1.65 0.00 6.09 0.00 -1.48 -0.48 119.26 130.40 1uy0 h ALA 8 Ca -0.45 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1uy0 h ALA 8 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1uy0 h ALA 8 CO 0.79 0.26 0.00 -0.85 0.00 0.00 0.00 179.25 179.45 1uy0 n GLU 9 N -4.33 0.22 -1.06 0.00 0.00 -1.26 -3.83 120.64 110.38 1uy0 n GLU 9 Ca -0.02 0.37 -0.18 0.00 0.00 0.00 0.00 57.16 57.34 1uy0 n GLU 9 Cb 0.23 -1.87 -0.01 0.00 0.00 0.00 0.00 31.44 29.79 1uy0 n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1uy0 n ASP 10 N -2.28 6.28 -4.81 -1.84 8.00 -0.19 -4.91 116.55 116.81 1uy0 n ASP 10 Ca 0.03 -3.01 -0.36 0.00 0.71 0.00 0.00 54.79 52.16 1uy0 n ASP 10 Cb 0.29 -1.15 -0.06 0.00 -0.02 0.00 0.00 41.12 40.17 1uy0 n ASP 10 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1uy0 s HIS 11 N -1.41 3.60 -0.12 1.24 -3.43 -1.25 -4.90 115.29 109.02 1uy0 s HIS 11 Ca 0.41 1.53 0.14 0.00 -0.80 0.00 0.00 55.06 56.33 1uy0 s HIS 11 Cb 0.28 -2.74 0.02 0.00 -1.43 0.00 0.00 32.58 28.71 1uy0 s HIS 11 CO -0.07 0.22 1.38 0.66 -2.00 0.00 0.00 174.74 174.93 1uy0 h SER 12 N 3.06 0.00 -5.11 7.38 4.64 -1.27 -3.47 113.55 118.79 1uy0 h SER 12 Ca -0.48 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.76 1uy0 h SER 12 Cb 1.19 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.13 1uy0 h SER 12 CO 0.65 0.57 -0.31 -1.58 -0.87 0.00 0.00 176.83 175.29 1uy0 s GLN 13 N -2.93 0.83 0.24 4.77 0.74 -1.19 -4.98 119.66 117.15 1uy0 s GLN 13 Ca 0.03 -0.76 -0.16 0.00 0.05 0.00 0.00 55.36 54.52 1uy0 s GLN 13 Cb 0.08 0.35 0.01 0.00 1.10 0.00 0.00 33.01 34.55 1uy0 s GLN 13 CO 0.76 -0.27 0.55 1.14 -0.55 0.00 0.00 175.29 176.92 1uy0 s GLN 14 N -3.30 1.58 -0.04 1.67 1.03 -1.26 -0.77 119.66 118.56 1uy0 s GLN 14 Ca 0.00 -1.10 -0.01 0.00 0.04 0.00 0.00 55.36 54.29 1uy0 s GLN 14 Cb 0.02 0.52 0.03 0.00 0.03 0.00 0.00 33.01 33.61 1uy0 s GLN 14 CO -0.08 -0.68 0.08 0.45 -2.54 0.00 0.00 175.29 172.52 1uy0 s SER 15 N -2.96 0.18 0.00 12.60 0.15 -0.19 -4.96 113.70 118.52 1uy0 s SER 15 Ca 0.17 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1uy0 s SER 15 Cb -0.02 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1uy0 s SER 15 CO 0.06 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1uy0 n GLY 16 N 4.41 0.98 3.72 9.45 0.00 -1.26 -2.07 105.19 120.41 1uy0 n GLY 16 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 1uy0 n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uy0 s THR 17 N -3.27 1.80 -0.04 2.61 -4.23 -1.26 -4.72 115.64 106.53 1uy0 s THR 17 Ca 0.00 -1.87 -0.07 0.00 -1.18 0.00 0.00 61.69 58.57 1uy0 s THR 17 Cb 0.00 -2.67 0.01 0.00 1.34 0.00 0.00 72.50 71.18 1uy0 s THR 17 CO 0.00 0.00 0.17 -1.58 -0.54 0.00 0.00 174.62 172.67 1uy0 s GLN 18 N -3.87 0.31 0.53 3.99 0.74 -0.93 -5.00 119.66 115.44 1uy0 s GLN 18 Ca 0.28 0.02 -0.11 0.00 0.05 0.00 0.00 55.36 55.60 1uy0 s GLN 18 Cb 0.05 0.14 -0.05 0.00 1.10 0.00 0.00 33.01 34.25 1uy0 s GLN 18 CO 0.15 -0.06 0.92 1.14 -0.55 0.00 0.00 175.29 176.89 1uy0 s GLN 19 N -0.44 3.69 0.12 1.67 -2.07 -1.26 -0.35 119.66 121.02 1uy0 s GLN 19 Ca -0.05 0.62 -0.17 0.00 -1.82 0.00 0.00 55.36 53.93 1uy0 s GLN 19 Cb -0.03 -2.21 0.04 0.00 -1.09 0.00 0.00 33.01 29.71 1uy0 s GLN 19 CO 0.01 -0.33 0.42 -1.83 -1.32 0.00 0.00 175.29 172.24 1uy0 s GLU 20 N -4.62 1.08 0.30 9.60 -1.05 -0.36 -4.86 118.70 118.80 1uy0 s GLU 20 Ca 0.53 -0.66 -0.29 0.00 -0.15 0.00 0.00 54.97 54.41 1uy0 s GLU 20 Cb -0.10 0.48 -0.10 0.00 -0.44 0.00 0.00 34.13 33.96 1uy0 s GLU 20 CO 0.43 -0.43 1.36 0.99 0.95 0.00 0.00 175.26 178.56 1uy0 s THR 21 N -3.70 2.68 0.04 1.83 2.01 -1.26 -0.53 115.64 116.70 1uy0 s THR 21 Ca 0.02 0.64 0.03 0.00 0.31 0.00 0.00 61.69 62.70 1uy0 s THR 21 Cb 0.01 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1uy0 s THR 21 CO -0.11 0.14 -0.02 0.28 -0.69 0.00 0.00 174.62 174.21 1uy0 s THR 22 N -0.74 3.92 -2.04 -0.82 -1.32 -0.84 -4.70 115.64 109.09 1uy0 s THR 22 Ca 0.53 -0.82 0.22 0.00 -1.21 0.00 0.00 61.69 60.40 1uy0 s THR 22 Cb -0.41 -2.78 0.54 0.00 -1.51 0.00 0.00 72.50 68.34 1uy0 s THR 22 CO 0.50 0.28 1.46 0.35 -2.21 0.00 0.00 174.62 175.00 1uy0 n THR 23 N 1.11 0.82 -0.69 5.08 -2.24 -1.26 -4.23 114.28 112.87 1uy0 n THR 23 Ca -0.13 -0.91 -0.31 0.00 -2.27 0.00 0.00 64.05 60.42 1uy0 n THR 23 Cb 0.52 0.67 0.16 0.00 -2.10 0.00 0.00 70.33 69.59 1uy0 n THR 23 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1uy0 n ASP 24 N 1.50 -0.27 -4.61 3.42 2.03 -1.26 -4.82 116.55 112.55 1uy0 n ASP 24 Ca 0.22 0.38 -0.53 0.00 0.52 0.00 0.00 54.79 55.38 1uy0 n ASP 24 Cb 0.60 -1.41 -0.06 0.00 -0.72 0.00 0.00 41.12 39.53 1uy0 n ASP 24 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1uy0 n THR 25 N -4.14 0.04 0.00 5.18 -1.04 -1.26 -1.23 114.28 111.83 1uy0 n THR 25 Ca 0.11 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1uy0 n THR 25 Cb 0.52 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 1uy0 n THR 25 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uy0 n GLY 26 N 2.74 1.38 7.00 3.41 0.00 -1.26 -4.98 105.19 113.48 1uy0 n GLY 26 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1uy0 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uy0 n GLY 27 N -2.00 1.50 4.27 -0.02 0.00 -0.37 -4.99 105.19 103.59 1uy0 n GLY 27 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1uy0 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uy0 n GLY 28 N 0.00 0.63 3.22 -0.02 0.00 -1.26 -4.81 105.19 102.95 1uy0 n GLY 28 Ca 0.00 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 1uy0 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uy0 s LYS 29 N 0.00 0.98 0.28 1.61 -0.14 -1.26 -1.99 119.74 119.22 1uy0 s LYS 29 Ca 0.00 -1.29 0.07 0.00 -1.36 0.00 0.00 55.97 53.39 1uy0 s LYS 29 Cb 0.00 -0.68 -0.06 0.00 -1.68 0.00 0.00 37.83 35.41 1uy0 s LYS 29 CO 0.00 0.11 -0.08 0.54 -0.76 0.00 0.00 175.35 175.16 1uy0 s ASN 30 N -2.72 2.90 -0.02 2.83 2.20 0.31 -4.74 114.94 115.70 1uy0 s ASN 30 Ca 0.11 -1.16 -0.24 0.00 -0.94 0.00 0.00 52.86 50.62 1uy0 s ASN 30 Cb -0.02 -0.19 -0.04 0.00 -2.00 0.00 0.00 41.25 39.00 1uy0 s ASN 30 CO 0.01 -0.28 0.74 -0.69 -2.94 0.00 0.00 177.10 173.94 1uy0 s VAL 31 N -2.93 4.91 0.20 3.54 1.01 0.09 -1.22 120.40 125.99 1uy0 s VAL 31 Ca 0.29 1.55 0.02 0.00 0.00 0.00 0.00 61.98 63.83 1uy0 s VAL 31 Cb 0.03 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1uy0 s VAL 31 CO 0.12 0.30 0.06 0.61 0.00 0.00 0.00 175.10 176.19 1uy0 n GLY 32 N 2.78 3.71 3.78 4.51 0.00 0.52 -1.73 105.19 118.76 1uy0 n GLY 32 Ca -0.02 -2.03 -0.26 0.00 0.00 0.00 0.00 46.02 43.72 1uy0 n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uy0 n TYR 33 N -0.45 -1.82 -3.58 1.61 4.02 -1.26 -2.18 117.16 113.50 1uy0 n TYR 33 Ca -0.03 0.69 -0.36 0.00 -0.01 0.00 0.00 57.90 58.18 1uy0 n TYR 33 Cb 0.29 -3.86 -0.07 0.00 -0.02 0.00 0.00 39.34 35.68 1uy0 n TYR 33 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1uy0 s ILE 34 N -3.72 5.31 0.14 -0.72 1.01 -1.26 -4.29 121.20 117.66 1uy0 s ILE 34 Ca 0.15 0.51 -0.02 0.00 0.00 0.00 0.00 60.65 61.29 1uy0 s ILE 34 Cb -0.05 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1uy0 s ILE 34 CO 0.85 0.44 0.10 -1.81 0.00 0.00 0.00 174.94 174.52 1uy0 s ASP 35 N 0.15 0.25 0.04 3.58 1.01 -1.26 -3.10 116.67 117.34 1uy0 s ASP 35 Ca 0.16 -1.18 -0.36 0.00 0.71 0.00 0.00 52.55 51.89 1uy0 s ASP 35 Cb -0.13 0.33 -0.15 0.00 1.01 0.00 0.00 42.92 43.98 1uy0 s ASP 35 CO 0.04 -0.77 1.59 0.00 0.21 0.00 0.00 175.17 176.24 1uy0 n ALA 36 N -0.13 0.38 0.00 5.23 0.00 -1.26 -1.30 120.51 123.43 1uy0 n ALA 36 Ca -0.05 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1uy0 n ALA 36 Cb 0.64 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1uy0 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uy0 n GLY 37 N 3.43 2.98 3.75 0.00 0.00 -0.57 -4.99 105.19 109.79 1uy0 n GLY 37 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1uy0 n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uy0 s ASP 38 N -0.06 4.64 0.18 1.61 1.01 -0.42 -4.79 116.67 118.84 1uy0 s ASP 38 Ca 0.00 2.10 -0.18 0.00 0.71 0.00 0.00 52.55 55.18 1uy0 s ASP 38 Cb 0.00 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.40 1uy0 s ASP 38 CO 0.00 -1.95 0.51 -1.66 0.21 0.00 0.00 175.17 172.28 1uy0 s TRP 39 N -2.31 -0.19 -0.05 4.23 1.48 -0.88 -0.55 118.94 120.67 1uy0 s TRP 39 Ca 0.69 -0.13 0.01 0.00 -1.06 0.00 0.00 56.10 55.61 1uy0 s TRP 39 Cb -0.23 0.39 0.02 0.00 -1.16 0.00 0.00 33.47 32.49 1uy0 s TRP 39 CO 0.45 -0.87 -0.05 -0.51 -4.06 0.00 0.00 176.95 171.91 1uy0 s LEU 40 N -2.84 1.32 -0.09 -4.66 1.43 -0.02 -1.02 118.68 112.80 1uy0 s LEU 40 Ca 0.07 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1uy0 s LEU 40 Cb -0.00 -0.50 -0.03 0.00 0.03 0.00 0.00 46.19 45.69 1uy0 s LEU 40 CO -0.06 -0.05 -0.09 -0.55 0.23 0.00 0.00 176.35 175.83 1uy0 s SER 41 N 0.96 4.46 -0.26 2.29 0.15 0.05 -0.71 113.70 120.63 1uy0 s SER 41 Ca -0.10 -0.12 0.09 0.00 0.70 0.00 0.00 55.95 56.52 1uy0 s SER 41 Cb -0.14 -1.28 0.47 0.00 -1.71 0.00 0.00 66.02 63.36 1uy0 s SER 41 CO 0.00 0.30 1.37 -1.22 1.20 0.00 0.00 173.24 174.88 1uy0 n TYR 42 N 2.65 0.68 0.26 3.44 4.02 -0.03 -0.73 117.16 127.45 1uy0 n TYR 42 Ca -0.18 -1.59 0.09 0.00 -0.01 0.00 0.00 57.90 56.21 1uy0 n TYR 42 Cb 0.53 -0.40 0.66 0.00 -0.02 0.00 0.00 39.34 40.11 1uy0 n TYR 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1uy0 h ALA 43 N 1.02 1.88 0.00 -0.72 0.00 -1.88 -2.03 119.26 117.53 1uy0 h ALA 43 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1uy0 h ALA 43 Cb 1.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1uy0 h ALA 43 CO 0.24 0.03 0.00 0.78 0.00 0.00 0.00 179.25 180.31 1uy0 h GLY 44 N 0.09 0.00 -6.71 0.00 0.00 -1.94 -3.33 103.07 91.19 1uy0 h GLY 44 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1uy0 h GLY 44 CO 0.00 0.00 -0.69 -1.30 0.00 0.00 0.00 176.54 174.55 1uy0 n THR 45 N -2.64 1.03 -1.88 4.70 -2.24 -0.76 -5.07 114.28 107.41 1uy0 n THR 45 Ca 0.01 -4.58 -0.37 0.00 -2.27 0.00 0.00 64.05 56.84 1uy0 n THR 45 Cb 0.26 -2.05 0.04 0.00 -2.10 0.00 0.00 70.33 66.48 1uy0 n THR 45 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1uy0 s PRO 46 N -1.32 3.05 -0.08 -0.78 0.02 -1.25 -4.84 135.00 129.80 1uy0 s PRO 46 Ca 0.30 2.06 0.03 0.00 0.02 0.00 0.00 61.00 63.42 1uy0 s PRO 46 Cb 0.02 -2.12 -0.02 0.00 0.02 0.00 0.00 34.50 32.41 1uy0 s PRO 46 CO -0.14 -1.21 -0.19 0.08 -0.33 0.00 0.00 177.00 175.21 1uy0 s VAL 47 N -1.41 2.62 -0.18 3.83 1.01 0.19 -4.91 120.40 121.55 1uy0 s VAL 47 Ca 0.74 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 1uy0 s VAL 47 Cb -0.36 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1uy0 s VAL 47 CO 0.42 0.56 0.48 0.21 0.00 0.00 0.00 175.10 176.77 1uy0 s ASN 48 N -0.13 6.57 -0.27 3.32 3.84 -1.26 -0.64 114.94 126.37 1uy0 s ASN 48 Ca -0.03 0.68 -0.10 0.00 0.21 0.00 0.00 52.86 53.62 1uy0 s ASN 48 Cb -0.14 -2.28 -0.05 0.00 -0.55 0.00 0.00 41.25 38.24 1uy0 s ASN 48 CO 0.04 -0.11 0.16 -0.63 -2.79 0.00 0.00 177.10 173.77 1uy0 s ILE 49 N 1.29 5.08 0.22 -5.21 -1.09 0.41 -4.96 121.20 116.95 1uy0 s ILE 49 Ca 0.24 0.09 0.15 0.00 -2.23 0.00 0.00 60.65 58.89 1uy0 s ILE 49 Cb -0.15 -3.40 0.06 0.00 -1.58 0.00 0.00 42.46 37.38 1uy0 s ILE 49 CO 0.09 0.28 1.67 1.55 -1.23 0.00 0.00 174.94 177.31 1uy0 h PRO 50 N 8.22 0.00 -2.64 2.79 0.13 -1.91 0.78 132.00 139.37 1uy0 h PRO 50 Ca -0.36 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.68 1uy0 h PRO 50 Cb 1.18 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 1uy0 h PRO 50 CO 0.57 0.49 -0.06 -1.54 -0.23 0.00 0.00 178.00 177.23 1uy0 s SER 51 N -6.64 -0.39 0.29 1.44 1.04 -1.26 -4.82 113.70 103.36 1uy0 s SER 51 Ca -0.01 0.31 -0.29 0.00 0.48 0.00 0.00 55.95 56.44 1uy0 s SER 51 Cb 0.12 0.42 -0.10 0.00 0.10 0.00 0.00 66.02 66.56 1uy0 s SER 51 CO 0.72 -0.55 1.21 -0.44 0.98 0.00 0.00 173.24 175.16 1uy0 s SER 52 N -1.40 7.01 0.00 7.02 0.01 -1.26 -4.33 113.70 120.75 1uy0 s SER 52 Ca -0.11 2.46 0.00 0.00 1.31 0.00 0.00 55.95 59.61 1uy0 s SER 52 Cb -0.02 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1uy0 s SER 52 CO 0.05 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.96 1uy0 n GLY 53 N 1.19 0.20 3.71 3.44 0.00 -0.51 -4.92 105.19 108.30 1uy0 n GLY 53 Ca 0.00 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 1uy0 n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uy0 s SER 54 N -4.00 7.19 0.08 1.61 0.15 -1.26 -1.07 113.70 116.39 1uy0 s SER 54 Ca 0.00 1.44 0.07 0.00 0.70 0.00 0.00 55.95 58.16 1uy0 s SER 54 Cb 0.00 -2.50 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 1uy0 s SER 54 CO 0.00 -0.22 -0.20 -0.31 1.20 0.00 0.00 173.24 173.72 1uy0 s TYR 55 N 1.02 1.69 -0.26 3.44 1.51 -0.15 -3.80 117.35 120.80 1uy0 s TYR 55 Ca 0.45 -0.40 -0.12 0.00 -1.01 0.00 0.00 57.07 55.98 1uy0 s TYR 55 Cb -0.19 -0.96 -0.05 0.00 -0.11 0.00 0.00 41.96 40.65 1uy0 s TYR 55 CO 0.23 0.15 0.25 -1.17 -1.11 0.00 0.00 175.55 173.89 1uy0 s LEU 56 N -1.63 4.05 -0.22 -1.29 2.96 -0.21 -1.46 118.68 120.89 1uy0 s LEU 56 Ca 0.05 0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 1uy0 s LEU 56 Cb -0.09 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 1uy0 s LEU 56 CO 0.03 -0.06 0.05 -0.63 -1.32 0.00 0.00 176.35 174.41 1uy0 s ILE 57 N 1.67 4.35 0.02 6.68 -1.09 0.32 -0.59 121.20 132.55 1uy0 s ILE 57 Ca 0.10 -0.17 0.04 0.00 -2.23 0.00 0.00 60.65 58.39 1uy0 s ILE 57 Cb -0.15 -3.00 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 1uy0 s ILE 57 CO 0.09 0.40 -0.06 -1.61 -1.23 0.00 0.00 174.94 172.53 1uy0 s GLU 58 N 1.07 2.53 -0.06 2.79 2.02 0.53 -1.66 118.70 125.92 1uy0 s GLU 58 Ca 0.04 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.29 1uy0 s GLU 58 Cb -0.14 -2.50 0.02 0.00 0.10 0.00 0.00 34.13 31.61 1uy0 s GLU 58 CO 0.03 0.59 -0.08 0.71 0.02 0.00 0.00 175.26 176.53 1uy0 s TYR 59 N -1.03 1.09 -0.47 1.61 1.51 0.26 -1.01 117.35 119.30 1uy0 s TYR 59 Ca 0.18 -0.37 -0.19 0.00 -1.01 0.00 0.00 57.07 55.67 1uy0 s TYR 59 Cb -0.11 -0.87 0.04 0.00 -0.11 0.00 0.00 41.96 40.91 1uy0 s TYR 59 CO 0.09 -0.24 0.60 0.50 -1.11 0.00 0.00 175.55 175.38 1uy0 s ARG 60 N 0.84 3.17 0.14 -0.62 6.06 -0.50 -1.32 118.95 126.72 1uy0 s ARG 60 Ca -0.12 -0.69 0.06 0.00 -2.50 0.00 0.00 55.73 52.48 1uy0 s ARG 60 Cb -0.15 -4.02 -0.04 0.00 0.06 0.00 0.00 34.95 30.80 1uy0 s ARG 60 CO 0.01 -1.08 -0.13 0.14 -2.50 0.00 0.00 175.30 171.74 1uy0 s VAL 61 N 2.61 1.36 -0.01 7.11 -7.23 -0.10 -0.59 120.40 123.56 1uy0 s VAL 61 Ca 0.17 -1.88 -0.03 0.00 -1.81 0.00 0.00 61.98 58.44 1uy0 s VAL 61 Cb -0.17 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.08 1uy0 s VAL 61 CO 0.15 -0.52 0.06 0.00 -0.31 0.00 0.00 175.10 174.48 1uy0 s ALA 62 N -2.55 -0.14 -0.23 1.32 0.00 -0.93 -1.16 121.76 118.07 1uy0 s ALA 62 Ca 0.13 -0.00 -0.10 0.00 0.00 0.00 0.00 51.96 51.98 1uy0 s ALA 62 Cb -0.03 -0.03 0.09 0.00 0.00 0.00 0.00 23.12 23.15 1uy0 s ALA 62 CO 0.03 -0.08 0.53 0.45 0.00 0.00 0.00 175.76 176.69 1uy0 s SER 63 N -0.47 -0.68 0.05 0.00 0.15 -1.18 -0.05 113.70 111.52 1uy0 s SER 63 Ca -0.05 1.22 -0.22 0.00 0.70 0.00 0.00 55.95 57.59 1uy0 s SER 63 Cb -0.03 1.43 -0.14 0.00 -1.71 0.00 0.00 66.02 65.56 1uy0 s SER 63 CO 0.00 -0.22 1.48 -0.61 1.20 0.00 0.00 173.24 175.09 1uy0 h GLN 64 N 7.60 0.16 -0.00 5.44 4.15 -1.70 0.40 115.11 131.16 1uy0 h GLN 64 Ca -0.25 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1uy0 h GLN 64 Cb 1.15 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1uy0 h GLN 64 CO 0.17 0.41 -0.05 0.09 -1.93 0.00 0.00 178.83 177.52 1uy0 n ASN 65 N -4.83 0.99 -0.40 -0.69 3.02 -1.26 -4.19 115.26 107.89 1uy0 n ASN 65 Ca -0.06 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1uy0 n ASN 65 Cb 0.19 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1uy0 n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uy0 n GLY 66 N 0.48 -1.40 1.39 7.41 0.00 -1.26 -4.71 105.19 107.09 1uy0 n GLY 66 Ca 0.02 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1uy0 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uy0 n GLY 67 N 0.00 0.90 3.89 -0.02 0.00 -1.24 -4.81 105.19 103.91 1uy0 n GLY 67 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1uy0 n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uy0 s GLY 68 N -1.60 1.62 0.09 -0.02 0.00 -1.20 -4.76 107.32 101.45 1uy0 s GLY 68 Ca 0.00 -0.36 -0.21 0.00 0.00 0.00 0.00 44.72 44.15 1uy0 s GLY 68 CO 0.00 -0.05 0.50 -1.35 0.00 0.00 0.00 173.10 172.20 1uy0 s SER 69 N -4.29 -0.40 0.09 1.64 1.04 -1.08 -1.07 113.70 109.63 1uy0 s SER 69 Ca 0.56 0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1uy0 s SER 69 Cb -0.11 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1uy0 s SER 69 CO 0.51 -0.80 -0.03 -1.48 0.98 0.00 0.00 173.24 172.42 1uy0 s LEU 70 N -2.33 2.34 -0.12 2.42 0.05 -0.68 -1.26 118.68 119.10 1uy0 s LEU 70 Ca -0.02 -1.05 0.02 0.00 0.05 0.00 0.00 54.13 53.12 1uy0 s LEU 70 Cb -0.00 0.09 -0.01 0.00 -2.05 0.00 0.00 46.19 44.22 1uy0 s LEU 70 CO -0.06 -0.57 -0.18 -0.89 -0.55 0.00 0.00 176.35 174.09 1uy0 s THR 71 N -3.80 2.54 -0.21 5.48 2.01 0.11 -1.67 115.64 120.10 1uy0 s THR 71 Ca 0.13 -0.84 -0.09 0.00 0.31 0.00 0.00 61.69 61.20 1uy0 s THR 71 Cb 0.07 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1uy0 s THR 71 CO -0.05 0.54 0.12 0.12 -0.69 0.00 0.00 174.62 174.66 1uy0 s PHE 72 N 0.42 3.30 0.28 4.92 5.36 0.30 -1.23 117.98 131.33 1uy0 s PHE 72 Ca -0.14 0.15 -0.06 0.00 -0.96 0.00 0.00 56.93 55.93 1uy0 s PHE 72 Cb -0.17 -2.19 0.03 0.00 -0.34 0.00 0.00 43.02 40.35 1uy0 s PHE 72 CO 0.06 0.11 0.48 -0.85 -1.46 0.00 0.00 175.22 173.56 1uy0 n GLU 73 N 3.95 0.69 -2.89 10.12 0.28 -0.47 -0.51 120.64 131.81 1uy0 n GLU 73 Ca -0.16 -1.89 -0.35 0.00 -0.16 0.00 0.00 57.16 54.61 1uy0 n GLU 73 Cb 0.52 2.05 -0.07 0.00 1.43 0.00 0.00 31.44 35.38 1uy0 n GLU 73 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1uy0 s GLU 74 N -2.34 4.34 0.20 3.44 0.41 -0.75 -0.95 118.70 123.05 1uy0 s GLU 74 Ca 0.17 1.10 -0.32 0.00 -0.41 0.00 0.00 54.97 55.51 1uy0 s GLU 74 Cb -0.02 -2.54 -0.14 0.00 -1.78 0.00 0.00 34.13 29.65 1uy0 s GLU 74 CO 0.12 0.17 1.41 0.00 -0.49 0.00 0.00 175.26 176.47 1uy0 n ALA 75 N 0.03 0.77 0.00 5.21 0.00 0.11 -1.03 120.51 125.61 1uy0 n ALA 75 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1uy0 n ALA 75 Cb 0.52 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1uy0 n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uy0 n GLY 76 N 2.43 2.99 0.00 0.00 0.00 -1.26 -4.65 105.19 104.70 1uy0 n GLY 76 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1uy0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uy0 n GLY 77 N -0.99 1.87 3.34 -0.02 0.00 -0.20 -5.10 105.19 104.09 1uy0 n GLY 77 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1uy0 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uy0 s ALA 78 N -1.96 -1.10 0.57 4.61 0.00 -1.24 -4.30 121.76 118.34 1uy0 s ALA 78 Ca 0.00 1.07 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 1uy0 s ALA 78 Cb 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 1uy0 s ALA 78 CO 0.00 -0.24 1.12 -1.25 0.00 0.00 0.00 175.76 175.39 1uy0 s PRO 79 N -0.24 3.25 0.09 0.00 0.04 -1.26 -4.61 135.00 132.27 1uy0 s PRO 79 Ca -0.04 1.54 -0.25 0.00 0.04 0.00 0.00 61.00 62.28 1uy0 s PRO 79 Cb -0.03 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 1uy0 s PRO 79 CO 0.02 -0.92 0.79 0.08 0.04 0.00 0.00 177.00 177.01 1uy0 s VAL 80 N -1.93 4.59 -0.24 -0.36 1.01 -1.26 -1.80 120.40 120.41 1uy0 s VAL 80 Ca 0.71 1.69 0.00 0.00 0.00 0.00 0.00 61.98 64.38 1uy0 s VAL 80 Cb -0.22 -4.14 -0.18 0.00 0.00 0.00 0.00 36.38 31.83 1uy0 s VAL 80 CO 0.30 0.41 -0.13 1.41 0.00 0.00 0.00 175.10 177.09 1uy0 n HIS 81 N 2.41 0.21 -3.56 5.22 8.25 0.33 -4.97 115.22 123.11 1uy0 n HIS 81 Ca -0.03 0.05 0.03 0.00 -0.26 0.00 0.00 57.72 57.51 1uy0 n HIS 81 Cb 0.50 -1.03 -0.00 0.00 1.12 0.00 0.00 29.99 30.58 1uy0 n HIS 81 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1uy0 s GLY 82 N -6.34 -0.48 0.14 -1.41 0.00 -0.90 -4.59 107.32 93.74 1uy0 s GLY 82 Ca -0.33 1.03 0.06 0.00 0.00 0.00 0.00 44.72 45.49 1uy0 s GLY 82 CO 0.63 0.21 -0.14 -0.51 0.00 0.00 0.00 173.10 173.29 1uy0 s THR 83 N -2.03 1.42 -0.17 0.90 -4.23 -1.26 -0.53 115.64 109.74 1uy0 s THR 83 Ca 0.15 -1.88 -0.14 0.00 -1.18 0.00 0.00 61.69 58.64 1uy0 s THR 83 Cb 0.07 -1.71 0.05 0.00 1.34 0.00 0.00 72.50 72.25 1uy0 s THR 83 CO -0.06 -0.50 0.43 -0.51 -0.54 0.00 0.00 174.62 173.44 1uy0 s ILE 84 N -2.48 -0.01 0.19 2.99 2.07 -0.67 -5.01 121.20 118.29 1uy0 s ILE 84 Ca 0.13 0.02 -0.27 0.00 -1.41 0.00 0.00 60.65 59.12 1uy0 s ILE 84 Cb -0.03 -0.61 -0.08 0.00 0.13 0.00 0.00 42.46 41.87 1uy0 s ILE 84 CO 0.04 0.01 0.84 0.00 -1.91 0.00 0.00 174.94 173.91 1uy0 s ALA 85 N 0.54 3.41 -0.27 1.50 0.00 -1.26 -1.69 121.76 123.98 1uy0 s ALA 85 Ca -0.02 0.46 -0.08 0.00 0.00 0.00 0.00 51.96 52.32 1uy0 s ALA 85 Cb -0.04 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 1uy0 s ALA 85 CO -0.03 0.26 0.09 0.42 0.00 0.00 0.00 175.76 176.50 1uy0 s ILE 86 N -1.16 4.31 0.65 0.00 1.01 -0.23 -4.96 121.20 120.82 1uy0 s ILE 86 Ca 0.38 -0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.58 1uy0 s ILE 86 Cb -0.24 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 1uy0 s ILE 86 CO 0.28 0.22 1.05 -2.16 0.00 0.00 0.00 174.94 174.33 1uy0 s PRO 87 N 1.59 3.32 0.29 2.79 0.04 -1.26 -3.55 135.00 138.22 1uy0 s PRO 87 Ca 0.05 0.79 -0.29 0.00 0.04 0.00 0.00 61.00 61.59 1uy0 s PRO 87 Cb -0.16 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 1uy0 s PRO 87 CO 0.04 -0.78 1.43 0.00 0.04 0.00 0.00 177.00 177.72 1uy0 s ALA 88 N -3.15 3.60 -0.28 8.56 0.00 -1.26 -4.47 121.76 124.76 1uy0 s ALA 88 Ca 0.56 1.37 0.06 0.00 0.00 0.00 0.00 51.96 53.95 1uy0 s ALA 88 Cb -0.12 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.38 1uy0 s ALA 88 CO 0.54 -0.78 0.26 0.25 0.00 0.00 0.00 175.76 176.03 1uy0 n THR 89 N 1.69 0.00 0.00 0.00 -2.24 0.11 -4.91 114.28 108.94 1uy0 n THR 89 Ca 0.04 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1uy0 n THR 89 Cb 0.40 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1uy0 n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uy0 n GLY 90 N 1.18 0.62 0.00 3.38 0.00 -1.12 -4.87 105.19 104.38 1uy0 n GLY 90 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1uy0 n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uy0 n GLY 91 N -1.20 0.75 0.29 -0.02 0.00 -1.23 -4.88 105.19 98.89 1uy0 n GLY 91 Ca 0.00 -0.74 0.17 0.00 0.00 0.00 0.00 46.02 45.46 1uy0 n GLY 91 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1uy0 h TRP 92 N 0.00 0.00 -0.19 1.61 4.06 -1.91 -2.73 115.95 116.79 1uy0 h TRP 92 Ca 0.00 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.78 1uy0 h TRP 92 Cb 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 29.16 27.95 1uy0 h TRP 92 CO 0.00 0.04 -0.74 1.04 -3.56 0.00 0.00 178.44 175.22 1uy0 n GLN 93 N -3.22 1.65 -3.72 0.49 1.13 -1.26 -4.72 117.38 107.73 1uy0 n GLN 93 Ca -0.01 -3.21 -0.38 0.00 -1.94 0.00 0.00 57.00 51.46 1uy0 n GLN 93 Cb 0.23 -1.39 -0.12 0.00 0.11 0.00 0.00 30.24 29.07 1uy0 n GLN 93 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1uy0 s THR 94 N -2.84 4.03 0.01 5.09 2.01 -1.04 -4.75 115.64 118.16 1uy0 s THR 94 Ca 0.39 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.50 1uy0 s THR 94 Cb 0.38 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1uy0 s THR 94 CO -0.07 -0.08 0.07 0.26 -0.69 0.00 0.00 174.62 174.12 1uy0 s TRP 95 N 1.48 3.26 0.09 4.92 0.52 -1.26 -4.32 118.94 123.62 1uy0 s TRP 95 Ca 0.01 0.18 -0.09 0.00 0.02 0.00 0.00 56.10 56.22 1uy0 s TRP 95 Cb -0.18 -1.72 -0.00 0.00 -1.15 0.00 0.00 33.47 30.42 1uy0 s TRP 95 CO 0.04 0.54 0.19 -0.08 0.02 0.00 0.00 176.95 177.66 1uy0 s THR 96 N -1.21 0.14 -0.22 2.01 -1.32 -0.31 -4.99 115.64 109.75 1uy0 s THR 96 Ca 0.23 -1.17 -0.06 0.00 -1.21 0.00 0.00 61.69 59.48 1uy0 s THR 96 Cb -0.12 -1.33 -0.03 0.00 -1.51 0.00 0.00 72.50 69.51 1uy0 s THR 96 CO 0.15 -0.65 0.04 -0.89 -2.21 0.00 0.00 174.62 171.06 1uy0 s THR 97 N -3.84 4.19 0.28 5.08 2.01 -1.26 -0.92 115.64 121.17 1uy0 s THR 97 Ca 0.05 -0.22 0.08 0.00 0.31 0.00 0.00 61.69 61.91 1uy0 s THR 97 Cb 0.05 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1uy0 s THR 97 CO -0.11 0.39 0.12 0.27 -0.69 0.00 0.00 174.62 174.60 1uy0 s ILE 98 N 1.24 3.76 0.04 1.82 -4.36 -0.44 -4.94 121.20 118.32 1uy0 s ILE 98 Ca 0.04 -1.65 -0.16 0.00 -0.26 0.00 0.00 60.65 58.63 1uy0 s ILE 98 Cb -0.15 -3.10 0.03 0.00 1.25 0.00 0.00 42.46 40.49 1uy0 s ILE 98 CO 0.02 -0.32 0.35 0.00 0.24 0.00 0.00 174.94 175.23 1uy0 s GLN 99 N -3.79 0.84 0.21 0.37 -2.07 -1.26 -0.58 119.66 113.38 1uy0 s GLN 99 Ca 0.34 -0.41 -0.10 0.00 -1.82 0.00 0.00 55.36 53.36 1uy0 s GLN 99 Cb -0.06 0.37 -0.01 0.00 -1.09 0.00 0.00 33.01 32.22 1uy0 s GLN 99 CO 0.23 -0.27 0.37 -3.38 -1.32 0.00 0.00 175.29 170.91 1uy0 s HIS 100 N -2.38 0.44 0.06 9.60 -3.43 -0.66 -5.00 115.29 113.91 1uy0 s HIS 100 Ca -0.06 -0.78 0.02 0.00 -0.80 0.00 0.00 55.06 53.44 1uy0 s HIS 100 Cb -0.01 0.03 -0.04 0.00 -1.43 0.00 0.00 32.58 31.12 1uy0 s HIS 100 CO -0.02 -0.85 0.07 0.95 -2.00 0.00 0.00 174.74 172.89 1uy0 s THR 101 N -4.01 4.53 0.08 -5.38 -4.23 -1.26 -0.52 115.64 104.85 1uy0 s THR 101 Ca 0.22 -0.70 -0.01 0.00 -1.18 0.00 0.00 61.69 60.02 1uy0 s THR 101 Cb 0.02 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 1uy0 s THR 101 CO 0.06 0.18 -0.01 0.68 -0.54 0.00 0.00 174.62 174.99 1uy0 s VAL 102 N -1.34 0.22 -0.03 2.29 -7.23 -0.54 -4.94 120.40 108.84 1uy0 s VAL 102 Ca 0.28 -1.85 -0.17 0.00 -1.81 0.00 0.00 61.98 58.43 1uy0 s VAL 102 Cb -0.12 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 1uy0 s VAL 102 CO 0.20 -0.82 0.47 0.21 -0.31 0.00 0.00 175.10 174.84 1uy0 s ASN 103 N -2.97 6.82 -0.02 4.85 3.84 -1.26 -0.98 114.94 125.23 1uy0 s ASN 103 Ca 0.13 0.97 0.03 0.00 0.21 0.00 0.00 52.86 54.20 1uy0 s ASN 103 Cb 0.08 -2.29 -0.00 0.00 -0.55 0.00 0.00 41.25 38.49 1uy0 s ASN 103 CO -0.06 0.20 -0.10 -0.76 -2.79 0.00 0.00 177.10 173.59 1uy0 s LEU 104 N -0.47 1.93 0.51 3.21 1.43 -0.23 -4.93 118.68 120.12 1uy0 s LEU 104 Ca 0.26 -0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 52.97 1uy0 s LEU 104 Cb -0.17 -0.55 -0.07 0.00 0.03 0.00 0.00 46.19 45.43 1uy0 s LEU 104 CO 0.13 0.10 1.04 -0.94 0.23 0.00 0.00 176.35 176.92 1uy0 s SER 105 N -0.07 6.24 0.57 2.29 1.04 -1.26 -1.42 113.70 121.08 1uy0 s SER 105 Ca 0.01 1.89 -0.20 0.00 0.48 0.00 0.00 55.95 58.14 1uy0 s SER 105 Cb -0.06 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 1uy0 s SER 105 CO -0.00 -0.85 1.21 0.00 0.98 0.00 0.00 173.24 174.58 1uy0 s ALA 106 N -2.10 2.63 0.00 5.32 0.00 -1.26 -4.74 121.76 121.61 1uy0 s ALA 106 Ca 0.66 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1uy0 s ALA 106 Cb -0.16 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1uy0 s ALA 106 CO 0.24 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1uy0 n GLY 107 N 0.51 -0.06 3.68 0.00 0.00 0.27 -4.94 105.19 104.65 1uy0 n GLY 107 Ca 0.12 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 1uy0 n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uy0 s SER 108 N -4.00 6.95 0.01 1.61 0.15 -1.26 -0.44 113.70 116.72 1uy0 s SER 108 Ca 0.00 1.16 0.03 0.00 0.70 0.00 0.00 55.95 57.85 1uy0 s SER 108 Cb 0.00 -2.44 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 1uy0 s SER 108 CO 0.00 -0.34 -0.07 -1.00 1.20 0.00 0.00 173.24 173.04 1uy0 s HIS 109 N 1.86 2.88 -0.34 3.44 4.02 0.18 -4.94 115.29 122.40 1uy0 s HIS 109 Ca 0.38 -0.05 0.00 0.00 1.02 0.00 0.00 55.06 56.41 1uy0 s HIS 109 Cb -0.17 -1.60 0.08 0.00 -1.02 0.00 0.00 32.58 29.87 1uy0 s HIS 109 CO 0.14 0.38 0.05 -0.65 1.02 0.00 0.00 174.74 175.68 1uy0 s GLN 110 N -1.47 2.04 0.44 1.40 -0.21 -1.26 -0.64 119.66 119.96 1uy0 s GLN 110 Ca 0.17 -1.59 -0.05 0.00 0.02 0.00 0.00 55.36 53.91 1uy0 s GLN 110 Cb -0.11 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.60 1uy0 s GLN 110 CO 0.08 -0.82 0.74 -0.06 -2.12 0.00 0.00 175.29 173.11 1uy0 s PHE 111 N 1.11 3.54 0.05 0.91 2.99 -1.26 0.06 117.98 125.38 1uy0 s PHE 111 Ca 0.02 0.79 -0.09 0.00 0.00 0.00 0.00 56.93 57.66 1uy0 s PHE 111 Cb -0.20 -2.27 0.00 0.00 0.00 0.00 0.00 43.02 40.54 1uy0 s PHE 111 CO -0.04 -0.18 0.18 0.20 -0.00 0.00 0.00 175.22 175.38 1uy0 s GLY 112 N -3.87 0.07 -0.07 4.36 0.00 -0.13 -0.85 107.32 106.82 1uy0 s GLY 112 Ca 0.47 -0.41 0.03 0.00 0.00 0.00 0.00 44.72 44.81 1uy0 s GLY 112 CO 0.41 -0.59 -0.18 -0.42 0.00 0.00 0.00 173.10 172.32 1uy0 s ILE 113 N -2.97 1.57 -0.14 0.90 1.01 0.11 -1.37 121.20 120.31 1uy0 s ILE 113 Ca -0.02 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 1uy0 s ILE 113 Cb 0.01 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 1uy0 s ILE 113 CO -0.06 0.45 -0.12 -0.75 0.00 0.00 0.00 174.94 174.46 1uy0 s LYS 114 N 0.40 3.37 -0.18 2.79 2.47 -0.37 -0.84 119.74 127.38 1uy0 s LYS 114 Ca -0.14 -0.68 -0.26 0.00 -1.56 0.00 0.00 55.97 53.33 1uy0 s LYS 114 Cb -0.16 -2.67 -0.01 0.00 -1.46 0.00 0.00 37.83 33.53 1uy0 s LYS 114 CO 0.05 0.16 0.88 0.00 0.16 0.00 0.00 175.35 176.60 1uy0 s ALA 115 N 0.50 3.55 -0.13 3.13 0.00 0.29 -0.71 121.76 128.39 1uy0 s ALA 115 Ca -0.09 0.06 0.17 0.00 0.00 0.00 0.00 51.96 52.11 1uy0 s ALA 115 Cb -0.16 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 1uy0 s ALA 115 CO 0.04 -0.75 0.81 0.09 0.00 0.00 0.00 175.76 175.95 1uy0 n ASN 116 N 5.50 0.81 -3.71 0.00 3.02 -0.39 -1.52 115.26 118.96 1uy0 n ASN 116 Ca 0.06 0.35 -0.14 0.00 -0.03 0.00 0.00 54.58 54.83 1uy0 n ASN 116 Cb 0.48 0.26 -0.09 0.00 -0.61 0.00 0.00 39.78 39.82 1uy0 n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uy0 s ALA 117 N -2.96 -1.09 0.84 5.41 0.00 -1.16 -4.56 121.76 118.24 1uy0 s ALA 117 Ca -0.03 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1uy0 s ALA 117 Cb 0.09 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1uy0 s ALA 117 CO 0.81 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.75 1uy0 n GLY 118 N 2.45 -0.43 0.00 0.00 0.00 -1.26 -2.62 105.19 103.33 1uy0 n GLY 118 Ca -0.15 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1uy0 n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uy0 n GLY 119 N 5.00 1.03 3.18 -0.02 0.00 -1.18 -3.26 105.19 109.95 1uy0 n GLY 119 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1uy0 n GLY 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1uy0 s TRP 120 N -2.00 0.46 0.18 1.61 1.48 -1.26 -4.02 118.94 115.38 1uy0 s TRP 120 Ca 0.00 -0.91 0.10 0.00 -1.06 0.00 0.00 56.10 54.23 1uy0 s TRP 120 Cb 0.00 -0.25 -0.04 0.00 -1.16 0.00 0.00 33.47 32.01 1uy0 s TRP 120 CO 0.00 -0.51 -0.18 -0.80 -4.06 0.00 0.00 176.95 171.40 1uy0 s ASN 121 N -2.94 3.81 -0.09 -2.66 0.02 0.93 -4.29 114.94 109.73 1uy0 s ASN 121 Ca 0.11 -0.71 -0.00 0.00 -1.02 0.00 0.00 52.86 51.24 1uy0 s ASN 121 Cb 0.06 -0.47 0.02 0.00 0.02 0.00 0.00 41.25 40.88 1uy0 s ASN 121 CO -0.06 0.12 -0.06 -0.22 0.02 0.00 0.00 177.10 176.90 1uy0 s LEU 122 N -2.65 1.10 -0.22 0.60 2.96 -0.70 -2.19 118.68 117.58 1uy0 s LEU 122 Ca 0.22 -0.22 -0.16 0.00 -0.22 0.00 0.00 54.13 53.75 1uy0 s LEU 122 Cb -0.09 -0.68 -0.18 0.00 0.50 0.00 0.00 46.19 45.75 1uy0 s LEU 122 CO 0.12 -0.11 0.05 -3.20 -1.32 0.00 0.00 176.35 171.89 1uy0 n ASN 123 N 4.73 1.93 -3.70 3.68 5.15 0.25 -0.73 115.26 126.56 1uy0 n ASN 123 Ca -0.14 0.34 -0.08 0.00 -0.60 0.00 0.00 54.58 54.10 1uy0 n ASN 123 Cb 0.50 -0.88 -0.02 0.00 -0.53 0.00 0.00 39.78 38.85 1uy0 n ASN 123 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 1uy0 s TRP 124 N -2.44 -0.28 0.07 1.20 1.48 -1.25 -1.32 118.94 116.40 1uy0 s TRP 124 Ca -0.31 -0.06 0.06 0.00 -1.06 0.00 0.00 56.10 54.73 1uy0 s TRP 124 Cb 0.09 0.65 -0.03 0.00 -1.16 0.00 0.00 33.47 33.01 1uy0 s TRP 124 CO 0.59 -1.02 -0.17 0.96 -4.06 0.00 0.00 176.95 173.24 1uy0 s ILE 125 N -3.71 1.40 -0.02 0.66 -4.36 0.11 -1.41 121.20 113.88 1uy0 s ILE 125 Ca 0.08 -1.29 0.01 0.00 -0.26 0.00 0.00 60.65 59.19 1uy0 s ILE 125 Cb -0.04 -1.28 0.01 0.00 1.25 0.00 0.00 42.46 42.41 1uy0 s ILE 125 CO -0.00 -0.04 -0.02 -0.60 0.24 0.00 0.00 174.94 174.52 1uy0 s ARG 126 N -1.54 0.38 -0.17 0.37 3.52 -0.18 -0.55 118.95 120.78 1uy0 s ARG 126 Ca 0.03 -0.05 -0.03 0.00 -0.13 0.00 0.00 55.73 55.55 1uy0 s ARG 126 Cb -0.09 -0.45 -0.02 0.00 -1.56 0.00 0.00 34.95 32.83 1uy0 s ARG 126 CO 0.03 -0.03 -0.04 0.42 -0.81 0.00 0.00 175.30 174.87 1uy0 s ILE 127 N 0.49 3.74 0.07 4.11 1.01 0.15 -0.35 121.20 130.43 1uy0 s ILE 127 Ca -0.05 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.26 1uy0 s ILE 127 Cb -0.08 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 1uy0 s ILE 127 CO -0.01 0.48 -0.18 0.20 0.00 0.00 0.00 174.94 175.43 1uy0 s ASN 128 N 0.59 2.17 0.78 3.58 0.01 0.24 -0.49 114.94 121.82 1uy0 s ASN 128 Ca -0.03 -0.60 -0.11 0.00 -0.71 0.00 0.00 52.86 51.41 1uy0 s ASN 128 Cb -0.14 -0.12 0.06 0.00 0.41 0.00 0.00 41.25 41.46 1uy0 s ASN 128 CO 0.03 0.04 1.11 -0.54 -1.51 0.00 0.00 177.10 176.23 1uy0 s LYS 129 N -1.60 2.09 -0.02 -0.60 1.02 0.35 -1.04 119.74 119.94 1uy0 s LYS 129 Ca 0.04 1.30 0.14 0.00 0.02 0.00 0.00 55.97 57.47 1uy0 s LYS 129 Cb -0.09 -1.87 -0.21 0.00 -0.52 0.00 0.00 37.83 35.14 1uy0 s LYS 129 CO 0.03 -1.79 0.33 0.25 -0.92 0.00 0.00 175.35 173.25 1uy0 n THR 130 N -3.46 0.00 0.00 2.17 -2.24 -1.25 -4.60 114.28 104.90 1uy0 n THR 130 Ca 0.10 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1uy0 n THR 130 Cb 0.53 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1uy0 n THR 130 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91