#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uug h LEU 4 N 0.00 0.41 -2.21 1.20 3.38 -2.02 -3.20 115.31 112.87 2uug h LEU 4 Ca 0.00 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.79 2uug h LEU 4 Cb 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2uug h LEU 4 CO 0.00 0.90 0.15 -1.28 0.09 0.00 0.00 178.44 178.29 2uug h SER 5 N 0.28 0.00 -0.26 -0.43 0.87 -2.02 -1.73 113.55 110.27 2uug h SER 5 Ca -0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 2uug h SER 5 Cb 1.09 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 2uug h SER 5 CO 0.10 0.00 -0.17 0.44 -0.53 0.00 0.00 176.83 176.67 2uug h ASP 6 N 0.00 0.60 -0.16 6.23 3.32 -1.94 -3.02 116.42 121.45 2uug h ASP 6 Ca 0.07 -0.43 0.05 0.00 0.02 0.00 0.00 57.03 56.74 2uug h ASP 6 Cb 0.36 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2uug h ASP 6 CO -0.00 0.90 0.16 0.40 -1.72 0.00 0.00 179.24 178.98 2uug h ILE 7 N 0.29 0.56 -0.06 0.35 2.04 -1.46 -0.51 117.51 118.72 2uug h ILE 7 Ca 0.05 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.75 2uug h ILE 7 Cb 0.69 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2uug h ILE 7 CO 0.05 0.00 -0.67 0.40 0.00 0.00 0.00 178.15 177.93 2uug h ILE 8 N 0.00 1.40 -0.65 -0.67 2.04 -1.50 -3.14 117.51 114.99 2uug h ILE 8 Ca 0.07 -2.11 0.06 0.00 1.00 0.00 0.00 64.86 63.89 2uug h ILE 8 Cb 0.39 2.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.51 2uug h ILE 8 CO -0.00 0.62 0.35 -0.33 0.00 0.00 0.00 178.15 178.79 2uug h GLU 9 N 0.18 0.61 -0.84 2.37 5.08 -1.12 -3.00 114.58 117.85 2uug h GLU 9 Ca -0.02 -0.04 0.21 0.00 -1.00 0.00 0.00 59.36 58.52 2uug h GLU 9 Cb 1.20 -0.14 -0.13 0.00 0.50 0.00 0.00 28.75 30.18 2uug h GLU 9 CO 0.10 0.41 0.21 0.87 -1.00 0.00 0.00 179.01 179.60 2uug h LYS 10 N 0.63 0.21 0.00 2.33 1.57 -1.57 -0.31 116.57 119.43 2uug h LYS 10 Ca 0.30 -0.01 -0.39 0.00 -1.87 0.00 0.00 60.65 58.68 2uug h LYS 10 Cb 0.22 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 2uug h LYS 10 CO -0.20 0.14 -2.35 -1.91 -0.57 0.00 0.00 179.45 174.55 2uug n GLU 11 N -5.22 0.55 0.17 3.15 2.13 -1.20 -4.60 120.64 115.61 2uug n GLU 11 Ca 0.19 0.19 0.02 0.00 0.66 0.00 0.00 57.16 58.23 2uug n GLU 11 Cb 0.62 -1.41 0.28 0.00 0.27 0.00 0.00 31.44 31.20 2uug n GLU 11 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2uug h THR 12 N -0.52 1.20 0.00 6.31 2.02 -1.62 -3.46 112.91 116.84 2uug h THR 12 Ca -0.58 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 64.90 2uug h THR 12 Cb 1.65 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 2uug h THR 12 CO -0.26 0.46 0.00 0.61 0.37 0.00 0.00 175.52 176.71 2uug n GLY 13 N 0.06 2.41 3.76 2.16 0.00 -0.13 -4.95 105.19 108.50 2uug n GLY 13 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2uug n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uug s LYS 14 N 0.00 4.16 -0.37 1.61 1.02 -1.26 -4.96 119.74 119.93 2uug s LYS 14 Ca 0.00 0.23 -0.29 0.00 0.02 0.00 0.00 55.97 55.93 2uug s LYS 14 Cb 0.00 -3.37 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 2uug s LYS 14 CO 0.00 0.34 1.30 -0.65 -0.92 0.00 0.00 175.35 175.42 2uug s GLN 15 N 0.11 3.76 0.04 1.68 1.11 -1.26 -4.57 119.66 120.54 2uug s GLN 15 Ca 0.20 1.00 0.09 0.00 0.01 0.00 0.00 55.36 56.65 2uug s GLN 15 Cb -0.14 -3.93 -0.03 0.00 -1.01 0.00 0.00 33.01 27.90 2uug s GLN 15 CO 0.07 -1.32 -0.25 -0.51 0.01 0.00 0.00 175.29 173.30 2uug s LEU 16 N 4.73 2.16 -0.03 2.90 1.43 -1.26 -5.13 118.68 123.49 2uug s LEU 16 Ca 0.56 -0.56 -0.20 0.00 -1.03 0.00 0.00 54.13 52.90 2uug s LEU 16 Cb -0.14 -1.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 2uug s LEU 16 CO 0.28 0.23 0.57 0.68 0.23 0.00 0.00 176.35 178.34 2uug s VAL 17 N -0.79 4.97 -0.34 -1.59 -7.23 -1.26 -4.92 120.40 109.24 2uug s VAL 17 Ca 0.10 1.18 -0.29 0.00 -1.81 0.00 0.00 61.98 61.17 2uug s VAL 17 Cb -0.10 -3.91 0.01 0.00 0.56 0.00 0.00 36.38 32.95 2uug s VAL 17 CO 0.02 0.40 1.17 -0.63 -0.31 0.00 0.00 175.10 175.75 2uug s ILE 18 N -0.04 4.32 -0.16 -0.62 1.01 -1.26 -4.25 121.20 120.20 2uug s ILE 18 Ca 0.30 1.48 0.19 0.00 0.00 0.00 0.00 60.65 62.62 2uug s ILE 18 Cb -0.18 -4.37 -0.08 0.00 0.01 0.00 0.00 42.46 37.85 2uug s ILE 18 CO 0.16 -0.58 0.92 1.56 0.00 0.00 0.00 174.94 176.99 2uug h GLN 19 N 8.74 0.00 -2.65 2.79 4.20 -1.48 -3.49 115.11 123.22 2uug h GLN 19 Ca -0.23 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 2uug h GLN 19 Cb 1.07 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.70 2uug h GLN 19 CO 1.05 0.20 0.12 -1.83 -0.67 0.00 0.00 178.83 177.69 2uug s GLU 20 N -3.07 1.10 -0.26 1.46 -1.05 -1.19 -5.04 118.70 110.66 2uug s GLU 20 Ca -0.02 -0.18 -0.02 0.00 -0.15 0.00 0.00 54.97 54.60 2uug s GLU 20 Cb 0.09 0.51 0.08 0.00 -0.44 0.00 0.00 34.13 34.37 2uug s GLU 20 CO 0.80 -0.41 0.08 -1.12 0.95 0.00 0.00 175.26 175.56 2uug s SER 21 N -1.98 3.54 -0.20 0.83 0.01 -1.26 -0.99 113.70 113.64 2uug s SER 21 Ca -0.05 -1.27 -0.13 0.00 1.31 0.00 0.00 55.95 55.80 2uug s SER 21 Cb -0.01 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.49 2uug s SER 21 CO -0.02 -0.38 0.29 -0.63 0.41 0.00 0.00 173.24 172.91 2uug s ILE 22 N 1.78 5.29 0.05 1.44 -1.09 -0.98 -4.80 121.20 122.89 2uug s ILE 22 Ca 0.05 0.49 -0.30 0.00 -2.23 0.00 0.00 60.65 58.66 2uug s ILE 22 Cb -0.17 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 2uug s ILE 22 CO -0.20 0.33 0.99 -0.22 -1.23 0.00 0.00 174.94 174.60 2uug s LEU 23 N 0.95 4.42 0.00 2.97 2.96 -1.26 0.45 118.68 129.17 2uug s LEU 23 Ca 0.15 1.74 -0.00 0.00 -0.22 0.00 0.00 54.13 55.80 2uug s LEU 23 Cb -0.14 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 2uug s LEU 23 CO 0.05 -0.20 -0.00 -0.04 -1.32 0.00 0.00 176.35 174.84 2uug s MET 24 N 0.61 0.03 0.60 1.98 -1.94 0.16 -4.97 119.30 115.76 2uug s MET 24 Ca 0.50 -0.05 -0.14 0.00 -1.71 0.00 0.00 55.69 54.29 2uug s MET 24 Cb -0.23 0.01 -0.04 0.00 2.01 0.00 0.00 34.83 36.58 2uug s MET 24 CO 0.29 -0.00 1.03 -0.51 -0.01 0.00 0.00 175.02 175.81 2uug s LEU 25 N -0.13 3.40 0.19 -0.03 1.43 -1.26 -0.85 118.68 121.43 2uug s LEU 25 Ca -0.01 1.61 -0.21 0.00 -1.03 0.00 0.00 54.13 54.48 2uug s LEU 25 Cb -0.01 -4.50 0.13 0.00 0.03 0.00 0.00 46.19 41.84 2uug s LEU 25 CO -0.00 -0.97 1.57 -0.65 0.23 0.00 0.00 176.35 176.53 2uug h PRO 26 N 0.18 -0.13 0.00 1.29 0.11 -1.83 0.24 132.00 131.87 2uug h PRO 26 Ca -0.46 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2uug h PRO 26 Cb 1.20 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2uug h PRO 26 CO 0.60 -0.08 0.00 1.05 -0.21 0.00 0.00 178.00 179.35 2uug h GLU 27 N -0.13 0.00 0.18 1.05 9.09 -1.93 -1.10 114.58 121.74 2uug h GLU 27 Ca 0.25 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.36 2uug h GLU 27 Cb 0.56 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.68 2uug h GLU 27 CO -0.76 0.00 -1.36 0.93 0.05 0.00 0.00 179.01 177.87 2uug h GLU 28 N 0.00 0.39 0.00 1.06 5.08 -0.88 -3.33 114.58 116.90 2uug h GLU 28 Ca 0.00 -0.66 -0.16 0.00 -1.00 0.00 0.00 59.36 57.54 2uug h GLU 28 Cb 0.05 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2uug h GLU 28 CO 0.00 1.31 -1.48 1.33 -1.00 0.00 0.00 179.01 179.17 2uug n VAL 29 N -3.61 1.09 0.20 3.13 0.24 -0.91 -4.07 118.33 114.40 2uug n VAL 29 Ca -0.12 -0.68 0.04 0.00 -2.04 0.00 0.00 64.34 61.54 2uug n VAL 29 Cb 1.06 -0.65 0.45 0.00 -1.47 0.00 0.00 33.84 33.24 2uug n VAL 29 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2uug h GLU 30 N 0.00 0.05 0.00 7.34 4.11 -1.34 0.51 114.58 125.25 2uug h GLU 30 Ca -0.17 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.21 2uug h GLU 30 Cb 1.55 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 2uug h GLU 30 CO 0.04 0.25 -0.21 1.49 0.07 0.00 0.00 179.01 180.65 2uug h GLU 31 N 0.04 0.00 0.00 1.06 4.81 -1.71 -0.22 114.58 118.57 2uug h GLU 31 Ca 0.01 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 2uug h GLU 31 Cb 0.39 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 2uug h GLU 31 CO 0.03 0.21 -1.68 0.28 -0.73 0.00 0.00 179.01 177.12 2uug n VAL 32 N -3.69 1.38 0.64 0.32 0.31 -0.68 -4.57 118.33 112.04 2uug n VAL 32 Ca -0.01 -0.11 0.10 0.00 -0.01 0.00 0.00 64.34 64.31 2uug n VAL 32 Cb 0.33 -2.01 0.44 0.00 -0.91 0.00 0.00 33.84 31.69 2uug n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2uug n ILE 33 N -4.18 0.64 -3.47 2.52 0.00 0.17 -4.91 119.36 110.13 2uug n ILE 33 Ca -0.32 0.12 -0.19 0.00 0.00 0.00 0.00 62.75 62.36 2uug n ILE 33 Cb 0.66 -0.84 0.09 0.00 0.00 0.00 0.00 39.64 39.55 2uug n ILE 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2uug n GLY 34 N 0.57 -0.41 3.35 4.50 0.00 -0.10 -4.99 105.19 108.11 2uug n GLY 34 Ca 0.05 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.23 2uug n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2uug s ASN 35 N -4.03 -0.38 -0.49 1.61 3.04 -1.19 -5.06 114.94 108.44 2uug s ASN 35 Ca 0.18 0.52 -0.29 0.00 0.04 0.00 0.00 52.86 53.31 2uug s ASN 35 Cb -0.08 1.40 0.03 0.00 -1.54 0.00 0.00 41.25 41.06 2uug s ASN 35 CO 0.72 -0.07 1.13 -0.75 -3.04 0.00 0.00 177.10 175.08 2uug s LYS 36 N 2.18 3.68 0.32 0.43 2.20 -1.26 -3.94 119.74 123.34 2uug s LYS 36 Ca -0.02 0.48 -0.28 0.00 -0.36 0.00 0.00 55.97 55.79 2uug s LYS 36 Cb -0.04 -3.92 -0.09 0.00 -1.51 0.00 0.00 37.83 32.26 2uug s LYS 36 CO -0.17 -1.41 1.10 -1.25 -0.36 0.00 0.00 175.35 173.27 2uug s PRO 37 N 4.46 4.49 0.00 4.03 0.04 -1.26 -4.91 135.00 141.84 2uug s PRO 37 Ca 0.46 1.77 0.19 0.00 0.04 0.00 0.00 61.00 63.46 2uug s PRO 37 Cb -0.07 -3.02 0.84 0.00 0.04 0.00 0.00 34.50 32.29 2uug s PRO 37 CO 0.31 0.08 1.60 -0.85 0.04 0.00 0.00 177.00 178.18 2uug n GLU 38 N 0.83 0.07 -3.77 4.56 0.28 -1.26 -4.62 120.64 116.74 2uug n GLU 38 Ca 0.01 0.16 -0.11 0.00 -0.16 0.00 0.00 57.16 57.06 2uug n GLU 38 Cb 0.46 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.76 2uug n GLU 38 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2uug s SER 39 N -2.89 -0.08 0.30 -1.84 0.15 -1.26 -5.02 113.70 103.07 2uug s SER 39 Ca 0.11 -0.30 -0.17 0.00 0.70 0.00 0.00 55.95 56.29 2uug s SER 39 Cb 0.12 0.36 -0.12 0.00 -1.71 0.00 0.00 66.02 64.67 2uug s SER 39 CO 0.33 -0.66 0.10 0.47 1.20 0.00 0.00 173.24 174.68 2uug n ASP 40 N 0.39 -2.14 -4.16 5.45 9.92 -1.26 -4.68 116.55 120.07 2uug n ASP 40 Ca -0.18 0.66 -0.22 0.00 -0.53 0.00 0.00 54.79 54.52 2uug n ASP 40 Cb 0.60 -0.69 -0.14 0.00 -0.64 0.00 0.00 41.12 40.25 2uug n ASP 40 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2uug s ILE 41 N -1.27 1.25 -0.22 0.53 -1.09 -0.03 -3.20 121.20 117.17 2uug s ILE 41 Ca 0.47 -0.95 -0.07 0.00 -2.23 0.00 0.00 60.65 57.87 2uug s ILE 41 Cb -0.52 -1.10 -0.03 0.00 -1.58 0.00 0.00 42.46 39.23 2uug s ILE 41 CO 0.49 0.13 0.07 -0.76 -1.23 0.00 0.00 174.94 173.64 2uug s LEU 42 N -0.94 3.60 -0.92 2.97 1.43 -0.93 0.37 118.68 124.26 2uug s LEU 42 Ca 0.04 -0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 2uug s LEU 42 Cb -0.07 -1.94 0.22 0.00 0.03 0.00 0.00 46.19 44.42 2uug s LEU 42 CO 0.01 0.05 0.92 -0.69 0.23 0.00 0.00 176.35 176.87 2uug s VAL 43 N 1.08 5.56 -0.52 -1.59 1.01 0.17 -2.39 120.40 123.73 2uug s VAL 43 Ca 0.04 -2.57 -0.27 0.00 0.00 0.00 0.00 61.98 59.17 2uug s VAL 43 Cb -0.14 -4.56 -0.01 0.00 0.00 0.00 0.00 36.38 31.67 2uug s VAL 43 CO 0.03 -1.15 1.69 -1.00 0.00 0.00 0.00 175.10 174.67 2uug s HIS 44 N 0.24 1.92 -0.16 5.22 3.76 0.17 -2.31 115.29 124.14 2uug s HIS 44 Ca 0.24 0.64 -0.06 0.00 -0.15 0.00 0.00 55.06 55.73 2uug s HIS 44 Cb -0.09 -4.20 -0.04 0.00 1.11 0.00 0.00 32.58 29.36 2uug s HIS 44 CO -0.08 -2.36 0.06 0.99 -0.85 0.00 0.00 174.74 172.50 2uug s THR 45 N 7.44 4.83 0.23 1.30 2.01 -0.17 -0.65 115.64 130.63 2uug s THR 45 Ca 0.66 -0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.68 2uug s THR 45 Cb -0.15 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 2uug s THR 45 CO 0.26 0.51 -0.07 0.00 -0.69 0.00 0.00 174.62 174.63 2uug s ALA 46 N -0.05 1.96 -0.09 7.40 0.00 0.11 -1.07 121.76 130.02 2uug s ALA 46 Ca 0.07 -1.74 0.04 0.00 0.00 0.00 0.00 51.96 50.33 2uug s ALA 46 Cb -0.12 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.20 2uug s ALA 46 CO 0.01 -0.10 -0.23 -0.47 0.00 0.00 0.00 175.76 174.97 2uug s TYR 47 N -3.18 2.44 -0.75 0.00 6.14 -1.26 -0.69 117.35 120.05 2uug s TYR 47 Ca 0.25 -0.95 -0.12 0.00 0.64 0.00 0.00 57.07 56.90 2uug s TYR 47 Cb 0.03 -1.63 0.20 0.00 0.42 0.00 0.00 41.96 40.98 2uug s TYR 47 CO 0.08 -0.37 0.66 0.34 0.64 0.00 0.00 175.55 176.90 2uug s ASP 48 N 0.28 6.37 0.54 4.32 -1.08 -0.64 -4.85 116.67 121.61 2uug s ASP 48 Ca -0.16 -2.61 0.36 0.00 -0.52 0.00 0.00 52.55 49.62 2uug s ASP 48 Cb -0.17 -2.13 1.96 0.00 -1.46 0.00 0.00 42.92 41.11 2uug s ASP 48 CO 0.08 -0.57 2.10 1.05 0.52 0.00 0.00 175.17 178.35 2uug h GLU 49 N 7.77 0.00 0.00 4.34 9.09 -1.97 0.32 114.58 134.13 2uug h GLU 49 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.44 2uug h GLU 49 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 2uug h GLU 49 CO 0.78 0.00 0.00 0.43 0.05 0.00 0.00 179.01 180.27 2uug n SER 50 N -2.76 0.00 0.00 3.06 7.64 -1.26 -3.98 113.62 116.32 2uug n SER 50 Ca -0.02 0.34 0.06 0.00 1.01 0.00 0.00 58.87 60.26 2uug n SER 50 Cb 0.06 -0.17 0.34 0.00 -1.01 0.00 0.00 64.21 63.44 2uug n SER 50 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2uug n THR 51 N -1.00 0.00 -3.75 0.44 -1.04 -1.21 -4.88 114.28 102.84 2uug n THR 51 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 2uug n THR 51 Cb 0.00 -0.44 0.04 0.00 -1.82 0.00 0.00 70.33 68.11 2uug n THR 51 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2uug n ASP 52 N -0.77 -5.16 -3.75 8.00 2.03 0.07 -4.85 116.55 112.12 2uug n ASP 52 Ca 0.09 -1.07 -0.13 0.00 0.52 0.00 0.00 54.79 54.20 2uug n ASP 52 Cb 0.04 -3.09 -0.10 0.00 -0.72 0.00 0.00 41.12 37.25 2uug n ASP 52 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2uug s GLU 53 N -6.22 0.46 -0.07 -0.67 -1.05 -1.02 -3.82 118.70 106.30 2uug s GLU 53 Ca 0.48 0.41 -0.28 0.00 -0.15 0.00 0.00 54.97 55.43 2uug s GLU 53 Cb -0.19 0.22 -0.02 0.00 -0.44 0.00 0.00 34.13 33.70 2uug s GLU 53 CO 0.88 -0.07 0.92 -0.80 0.95 0.00 0.00 175.26 177.14 2uug s ASN 54 N -0.02 7.19 -0.25 0.83 0.01 -0.16 -1.62 114.94 120.93 2uug s ASN 54 Ca -0.02 1.46 -0.08 0.00 -0.71 0.00 0.00 52.86 53.50 2uug s ASN 54 Cb -0.03 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 2uug s ASN 54 CO 0.01 -0.32 0.10 -0.69 -1.51 0.00 0.00 177.10 174.69 2uug s VAL 55 N 1.49 4.61 -0.04 1.60 1.01 0.13 -0.88 120.40 128.32 2uug s VAL 55 Ca 0.46 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.43 2uug s VAL 55 Cb -0.19 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 2uug s VAL 55 CO 0.20 0.34 -0.24 -0.04 0.00 0.00 0.00 175.10 175.36 2uug s MET 56 N 1.46 2.21 -0.14 2.72 -1.94 0.78 0.08 119.30 124.48 2uug s MET 56 Ca 0.06 -0.86 0.02 0.00 -1.71 0.00 0.00 55.69 53.21 2uug s MET 56 Cb -0.15 -1.98 0.01 0.00 2.01 0.00 0.00 34.83 34.72 2uug s MET 56 CO 0.05 0.43 -0.21 -1.17 -0.01 0.00 0.00 175.02 174.10 2uug s LEU 57 N -0.32 2.14 -0.25 -0.03 0.20 0.18 -0.80 118.68 119.80 2uug s LEU 57 Ca 0.02 -0.59 -0.08 0.00 0.69 0.00 0.00 54.13 54.17 2uug s LEU 57 Cb -0.12 -1.45 -0.04 0.00 -0.43 0.00 0.00 46.19 44.15 2uug s LEU 57 CO 0.02 0.08 0.10 -0.76 -0.29 0.00 0.00 176.35 175.50 2uug s LEU 58 N 0.79 3.63 0.46 -0.68 1.02 -1.07 -0.65 118.68 122.18 2uug s LEU 58 Ca -0.08 -0.14 0.04 0.00 0.02 0.00 0.00 54.13 53.98 2uug s LEU 58 Cb -0.16 -1.98 -0.04 0.00 0.02 0.00 0.00 46.19 44.03 2uug s LEU 58 CO -0.01 -0.03 0.01 0.42 0.02 0.00 0.00 176.35 176.76 2uug s THR 59 N 1.60 1.56 0.92 5.49 -4.23 -1.01 -1.18 115.64 118.80 2uug s THR 59 Ca 0.06 -1.99 -0.15 0.00 -1.18 0.00 0.00 61.69 58.44 2uug s THR 59 Cb -0.15 -2.56 0.16 0.00 1.34 0.00 0.00 72.50 71.30 2uug s THR 59 CO 0.06 0.00 1.26 -0.94 -0.54 0.00 0.00 174.62 174.46 2uug s SER 60 N -3.81 3.47 0.82 3.99 1.04 -0.04 -2.19 113.70 116.99 2uug s SER 60 Ca 0.20 0.48 -0.11 0.00 0.48 0.00 0.00 55.95 56.99 2uug s SER 60 Cb 0.05 -0.69 0.09 0.00 0.10 0.00 0.00 66.02 65.57 2uug s SER 60 CO 0.10 -2.53 1.09 -0.62 0.98 0.00 0.00 173.24 172.26 2uug s ASP 61 N -4.71 4.15 0.87 7.02 2.15 -1.20 -3.50 116.67 121.46 2uug s ASP 61 Ca 0.70 1.53 -0.10 0.00 0.43 0.00 0.00 52.55 55.10 2uug s ASP 61 Cb -0.07 -2.25 0.12 0.00 -0.30 0.00 0.00 42.92 40.43 2uug s ASP 61 CO 0.52 -2.22 1.13 0.00 -0.17 0.00 0.00 175.17 174.44 2uug s ALA 62 N -2.99 1.68 -0.39 3.66 0.00 -1.26 -2.68 121.76 119.78 2uug s ALA 62 Ca 0.62 0.52 0.05 0.00 0.00 0.00 0.00 51.96 53.14 2uug s ALA 62 Cb -0.16 -3.41 0.40 0.00 0.00 0.00 0.00 23.12 19.95 2uug s ALA 62 CO 0.56 -2.50 1.36 -0.35 0.00 0.00 0.00 175.76 174.84 2uug n PRO 63 N -4.03 2.33 -0.04 0.00 -0.04 -1.26 -4.89 135.00 127.07 2uug n PRO 63 Ca 0.11 -1.69 -0.01 0.00 -0.04 0.00 0.00 63.50 61.87 2uug n PRO 63 Cb 0.52 -1.77 -0.00 0.00 -0.04 0.00 0.00 33.50 32.21 2uug n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2uug h GLU 64 N 1.27 0.00 -3.37 0.54 4.39 -1.83 -3.49 114.58 112.10 2uug h GLU 64 Ca 0.20 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.61 2uug h GLU 64 Cb 1.72 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 30.42 2uug h GLU 64 CO 0.46 0.00 -0.43 0.66 -1.16 0.00 0.00 179.01 178.54 2uug n TYR 65 N -3.70 -1.44 -2.07 4.33 4.01 -1.20 -4.93 117.16 112.16 2uug n TYR 65 Ca -0.02 0.40 -0.43 0.00 -0.16 0.00 0.00 57.90 57.69 2uug n TYR 65 Cb 0.07 -3.50 -0.03 0.00 -0.31 0.00 0.00 39.34 35.57 2uug n TYR 65 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2uug s LYS 66 N -5.39 3.56 0.46 -0.72 2.36 -1.26 -4.52 119.74 114.22 2uug s LYS 66 Ca 0.23 1.50 -0.23 0.00 -2.55 0.00 0.00 55.97 54.91 2uug s LYS 66 Cb -0.10 -4.11 -0.09 0.00 -1.05 0.00 0.00 37.83 32.48 2uug s LYS 66 CO 0.28 -1.59 1.10 -2.30 1.55 0.00 0.00 175.35 174.40 2uug n PRO 67 N 8.08 1.47 0.00 4.03 -0.02 -1.26 -0.86 135.00 146.43 2uug n PRO 67 Ca 0.21 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2uug n PRO 67 Cb 0.46 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2uug n PRO 67 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2uug n TRP 68 N -0.66 0.00 -3.82 6.00 -0.00 -0.32 -4.85 117.44 113.79 2uug n TRP 68 Ca 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.51 2uug n TRP 68 Cb 0.41 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.74 2uug n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2uug s ALA 69 N -0.50 -0.85 -0.27 5.87 0.00 -1.09 -2.56 121.76 122.36 2uug s ALA 69 Ca 0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 2uug s ALA 69 Cb 0.00 0.68 0.12 0.00 0.00 0.00 0.00 23.12 23.92 2uug s ALA 69 CO 0.00 -1.00 0.57 -1.17 0.00 0.00 0.00 175.76 174.16 2uug s LEU 70 N -3.12 -0.99 -0.03 0.00 2.96 -0.64 -2.60 118.68 114.27 2uug s LEU 70 Ca 0.16 1.33 0.06 0.00 -0.22 0.00 0.00 54.13 55.47 2uug s LEU 70 Cb -0.05 1.97 -0.01 0.00 0.50 0.00 0.00 46.19 48.60 2uug s LEU 70 CO 0.11 -0.23 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.01 2uug s VAL 71 N 2.80 1.70 -0.26 1.68 1.01 0.02 -1.50 120.40 125.85 2uug s VAL 71 Ca -0.03 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.07 2uug s VAL 71 Cb -0.12 -1.42 0.06 0.00 0.00 0.00 0.00 36.38 34.90 2uug s VAL 71 CO -0.17 0.48 -0.07 -0.63 0.00 0.00 0.00 175.10 174.71 2uug s ILE 72 N -0.35 1.86 -0.27 2.22 1.09 -1.25 -0.15 121.20 124.35 2uug s ILE 72 Ca 0.04 -1.51 -0.11 0.00 -1.10 0.00 0.00 60.65 57.98 2uug s ILE 72 Cb -0.10 -2.08 -0.05 0.00 -1.06 0.00 0.00 42.46 39.17 2uug s ILE 72 CO 0.00 -0.13 0.18 -1.58 -0.10 0.00 0.00 174.94 173.32 2uug s GLN 73 N 1.23 3.97 0.00 2.79 0.74 -0.06 -2.43 119.66 125.90 2uug s GLN 73 Ca -0.05 -0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.05 2uug s GLN 73 Cb -0.19 -3.63 0.00 0.00 1.10 0.00 0.00 33.01 30.29 2uug s GLN 73 CO -0.06 -0.13 0.00 -0.40 -0.55 0.00 0.00 175.29 174.15 2uug n ASP 74 N 4.89 0.00 0.04 6.67 5.68 -0.91 -0.99 116.55 131.93 2uug n ASP 74 Ca -0.14 -0.45 -0.11 0.00 -0.50 0.00 0.00 54.79 53.59 2uug n ASP 74 Cb 0.52 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.46 2uug n ASP 74 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2uug h SER 75 N 0.00 -0.49 0.25 -1.12 0.02 -1.89 -2.74 113.55 107.59 2uug h SER 75 Ca 0.00 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 2uug h SER 75 Cb 0.00 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2uug h SER 75 CO 0.00 -0.22 -0.28 -1.13 -1.14 0.00 0.00 176.83 174.05 2uug h ASN 76 N -0.26 0.06 0.00 3.07 -1.24 -1.94 -3.46 115.58 111.80 2uug h ASN 76 Ca 0.06 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.06 2uug h ASN 76 Cb 0.34 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.38 2uug h ASN 76 CO -0.17 0.34 0.00 0.61 -1.29 0.00 0.00 177.43 176.92 2uug n GLY 77 N -0.66 1.73 3.88 1.57 0.00 -1.03 -5.12 105.19 105.56 2uug n GLY 77 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2uug n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2uug s GLU 78 N -0.41 3.52 -0.02 1.61 2.02 -1.26 -4.87 118.70 119.29 2uug s GLU 78 Ca 0.00 -0.08 -0.01 0.00 0.02 0.00 0.00 54.97 54.90 2uug s GLU 78 Cb 0.00 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 2uug s GLU 78 CO 0.00 0.74 0.06 -0.80 0.02 0.00 0.00 175.26 175.28 2uug s ASN 79 N -1.23 5.58 -0.73 -0.19 -0.87 -1.26 -2.14 114.94 114.09 2uug s ASN 79 Ca 0.19 0.15 0.04 0.00 -1.57 0.00 0.00 52.86 51.67 2uug s ASN 79 Cb -0.13 -1.60 0.22 0.00 -0.02 0.00 0.00 41.25 39.73 2uug s ASN 79 CO 0.08 0.30 0.72 0.29 -2.57 0.00 0.00 177.10 175.92 2uug n LYS 80 N 1.42 2.45 -1.56 -0.60 4.76 -1.02 -4.94 118.16 118.67 2uug n LYS 80 Ca -0.15 -4.58 -0.35 0.00 -2.87 0.00 0.00 58.31 50.36 2uug n LYS 80 Cb 0.53 -2.31 0.08 0.00 -1.84 0.00 0.00 35.03 31.49 2uug n LYS 80 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2uug s ILE 81 N -1.99 2.16 -0.20 -0.18 1.09 -1.26 -3.77 121.20 117.04 2uug s ILE 81 Ca 0.32 0.09 -0.07 0.00 -1.10 0.00 0.00 60.65 59.89 2uug s ILE 81 Cb 0.04 -2.83 0.09 0.00 -1.06 0.00 0.00 42.46 38.71 2uug s ILE 81 CO -0.08 -0.03 0.42 -0.75 -0.10 0.00 0.00 174.94 174.40 2uug s LYS 82 N -3.67 0.33 0.37 2.79 2.36 -0.56 -4.99 119.74 116.37 2uug s LYS 82 Ca 0.78 1.03 -0.25 0.00 -2.55 0.00 0.00 55.97 54.98 2uug s LYS 82 Cb -0.33 0.32 -0.09 0.00 -1.05 0.00 0.00 37.83 36.68 2uug s LYS 82 CO 0.43 -0.24 1.03 -1.64 1.55 0.00 0.00 175.35 176.48 2uug s MET 83 N 2.53 4.32 0.00 4.03 -1.94 -1.26 -1.61 119.30 125.36 2uug s MET 83 Ca -0.02 1.50 0.00 0.00 -1.71 0.00 0.00 55.69 55.46 2uug s MET 83 Cb -0.12 -2.67 0.00 0.00 2.01 0.00 0.00 34.83 34.05 2uug s MET 83 CO -0.13 -0.00 0.00 -0.11 -0.01 0.00 0.00 175.02 174.77