#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udi n ASN 3 N 0.00 0.00 -0.23 3.42 4.13 -1.26 -1.56 115.26 119.76 1udi n ASN 3 Ca 0.00 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.21 1udi n ASN 3 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1udi n ASN 3 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1udi h LEU 4 N 0.00 -1.26 -1.16 3.41 3.38 -2.00 0.20 115.31 117.88 1udi h LEU 4 Ca 0.00 0.24 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1udi h LEU 4 Cb 0.00 0.62 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1udi h LEU 4 CO 0.00 -0.31 0.15 0.28 0.09 0.00 0.00 178.44 178.66 1udi h SER 5 N -0.15 0.68 -0.78 -0.43 0.02 -1.62 -1.72 113.55 109.56 1udi h SER 5 Ca 0.24 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1udi h SER 5 Cb 0.56 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 1udi h SER 5 CO -0.73 0.65 0.43 0.44 -1.14 0.00 0.00 176.83 176.48 1udi h ASP 6 N 0.72 0.98 -0.41 3.07 3.32 -0.73 -1.74 116.42 121.63 1udi h ASP 6 Ca 0.17 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1udi h ASP 6 Cb 0.22 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1udi h ASP 6 CO -0.01 0.79 0.26 0.40 -1.72 0.00 0.00 179.24 178.97 1udi h ILE 7 N 1.10 1.09 -0.96 0.35 2.04 -0.22 0.17 117.51 121.08 1udi h ILE 7 Ca 0.28 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 66.01 1udi h ILE 7 Cb 0.03 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 1udi h ILE 7 CO -0.04 0.10 0.61 0.40 0.00 0.00 0.00 178.15 179.22 1udi h ILE 8 N 0.54 1.09 -0.15 -0.67 2.04 -0.92 0.13 117.51 119.56 1udi h ILE 8 Ca 0.15 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1udi h ILE 8 Cb -0.05 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 35.89 1udi h ILE 8 CO -0.04 0.21 -0.05 -0.08 0.00 0.00 0.00 178.15 178.19 1udi h GLU 9 N 1.13 0.30 -0.56 2.37 4.81 -0.54 0.49 114.58 122.58 1udi h GLU 9 Ca 0.41 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.57 1udi h GLU 9 Cb 0.14 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1udi h GLU 9 CO -0.16 0.59 0.37 -0.22 -0.73 0.00 0.00 179.01 178.86 1udi h LYS 10 N -0.01 0.55 0.03 1.92 1.63 0.05 1.43 116.57 122.15 1udi h LYS 10 Ca 0.04 -0.03 -0.28 0.00 -0.85 0.00 0.00 60.65 59.53 1udi h LYS 10 Cb 0.49 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.96 1udi h LYS 10 CO 0.02 0.36 -1.50 0.93 -3.45 0.00 0.00 179.45 175.81 1udi h GLU 11 N 0.57 0.05 0.00 1.90 4.39 -0.43 -3.40 114.58 117.66 1udi h GLU 11 Ca 0.24 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 1udi h GLU 11 Cb 0.23 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1udi h GLU 11 CO -0.07 0.76 -1.31 0.25 -1.16 0.00 0.00 179.01 177.49 1udi n THR 12 N -3.21 0.14 0.00 1.13 -2.24 0.17 -5.01 114.28 105.26 1udi n THR 12 Ca -0.13 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1udi n THR 12 Cb 1.02 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1udi n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1udi n GLY 13 N 2.35 2.93 3.78 3.38 0.00 0.49 -5.01 105.19 113.11 1udi n GLY 13 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1udi n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1udi s LYS 14 N -0.09 4.15 -1.04 1.61 -0.14 -1.26 -4.86 119.74 118.10 1udi s LYS 14 Ca 0.00 1.59 -0.13 0.00 -1.36 0.00 0.00 55.97 56.07 1udi s LYS 14 Cb 0.00 -2.59 0.21 0.00 -1.68 0.00 0.00 37.83 33.77 1udi s LYS 14 CO 0.00 -0.17 1.12 -0.65 -0.76 0.00 0.00 175.35 174.89 1udi s GLN 15 N -2.42 3.93 -0.00 1.68 1.11 -1.26 -3.54 119.66 119.16 1udi s GLN 15 Ca 0.57 -2.62 -0.04 0.00 0.01 0.00 0.00 55.36 53.28 1udi s GLN 15 Cb -0.24 -4.73 -0.04 0.00 -1.01 0.00 0.00 33.01 26.99 1udi s GLN 15 CO 0.30 -1.49 0.21 -0.51 0.01 0.00 0.00 175.29 173.82 1udi s LEU 16 N 0.53 4.37 -0.25 2.90 1.43 -1.26 -5.08 118.68 121.31 1udi s LEU 16 Ca 0.31 0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 53.74 1udi s LEU 16 Cb -0.07 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 1udi s LEU 16 CO -0.06 0.26 0.16 -0.69 0.23 0.00 0.00 176.35 176.25 1udi s VAL 17 N -1.31 5.30 0.12 -1.59 1.01 -1.26 -4.86 120.40 117.80 1udi s VAL 17 Ca 0.27 0.16 -0.31 0.00 0.00 0.00 0.00 61.98 62.10 1udi s VAL 17 Cb -0.13 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 1udi s VAL 17 CO 0.17 0.32 1.55 -0.63 0.00 0.00 0.00 175.10 176.51 1udi s ILE 18 N 1.29 2.90 -0.08 2.22 1.01 -1.26 -4.50 121.20 122.78 1udi s ILE 18 Ca 0.07 0.58 0.21 0.00 0.00 0.00 0.00 60.65 61.51 1udi s ILE 18 Cb -0.14 -3.37 -0.31 0.00 0.01 0.00 0.00 42.46 38.65 1udi s ILE 18 CO 0.06 0.03 0.40 0.00 0.00 0.00 0.00 174.94 175.44 1udi n GLN 19 N 4.41 0.67 -3.45 2.79 6.02 0.92 -4.96 117.38 123.78 1udi n GLN 19 Ca 0.14 -0.14 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1udi n GLN 19 Cb 0.40 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 1udi n GLN 19 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1udi s GLU 20 N -3.25 1.19 -0.16 -1.09 -1.05 -1.21 -5.03 118.70 108.10 1udi s GLU 20 Ca -0.08 -0.26 -0.03 0.00 -0.15 0.00 0.00 54.97 54.45 1udi s GLU 20 Cb 0.12 0.55 0.05 0.00 -0.44 0.00 0.00 34.13 34.41 1udi s GLU 20 CO 0.89 -0.48 0.03 -1.12 0.95 0.00 0.00 175.26 175.52 1udi s SER 21 N -2.31 2.51 -0.12 0.83 0.01 -1.26 -1.63 113.70 111.73 1udi s SER 21 Ca -0.02 -0.60 -0.03 0.00 1.31 0.00 0.00 55.95 56.60 1udi s SER 21 Cb -0.01 -0.53 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 1udi s SER 21 CO -0.07 -0.28 -0.00 -0.63 0.41 0.00 0.00 173.24 172.67 1udi s ILE 22 N 1.91 4.24 -0.18 1.44 -1.09 -0.58 -4.88 121.20 122.05 1udi s ILE 22 Ca 0.01 -0.25 -0.21 0.00 -2.23 0.00 0.00 60.65 57.97 1udi s ILE 22 Cb -0.16 -2.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.87 1udi s ILE 22 CO -0.07 0.54 0.63 -0.22 -1.23 0.00 0.00 174.94 174.59 1udi s LEU 23 N -0.25 4.17 0.08 2.97 2.96 -1.26 -0.21 118.68 127.13 1udi s LEU 23 Ca 0.06 0.87 0.07 0.00 -0.22 0.00 0.00 54.13 54.91 1udi s LEU 23 Cb -0.12 -2.90 -0.03 0.00 0.50 0.00 0.00 46.19 43.64 1udi s LEU 23 CO 0.02 -0.25 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.57 1udi s MET 24 N 1.75 1.17 0.26 1.98 -1.94 0.11 -4.99 119.30 117.64 1udi s MET 24 Ca 0.29 -1.05 -0.13 0.00 -1.71 0.00 0.00 55.69 53.10 1udi s MET 24 Cb -0.16 -1.35 -0.08 0.00 2.01 0.00 0.00 34.83 35.25 1udi s MET 24 CO 0.11 0.33 0.63 -0.51 -0.01 0.00 0.00 175.02 175.57 1udi s LEU 25 N -1.62 4.15 0.45 -0.03 1.43 -1.26 -0.37 118.68 121.43 1udi s LEU 25 Ca 0.06 1.11 0.32 0.00 -1.03 0.00 0.00 54.13 54.59 1udi s LEU 25 Cb -0.09 -3.80 1.47 0.00 0.03 0.00 0.00 46.19 43.79 1udi s LEU 25 CO 0.03 -0.10 1.61 -0.65 0.23 0.00 0.00 176.35 177.47 1udi h PRO 26 N 2.57 0.06 -0.20 1.29 0.11 -1.90 0.33 132.00 134.26 1udi h PRO 26 Ca -0.47 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 1udi h PRO 26 Cb 1.17 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1udi h PRO 26 CO 0.67 0.04 -0.50 0.93 -0.21 0.00 0.00 178.00 178.93 1udi h GLU 27 N 0.06 0.54 -0.11 1.05 3.07 -1.94 0.51 114.58 117.76 1udi h GLU 27 Ca 0.84 -0.32 -0.11 0.00 -0.50 0.00 0.00 59.36 59.27 1udi h GLU 27 Cb 2.73 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 30.65 1udi h GLU 27 CO -0.39 0.91 -0.44 0.93 -1.40 0.00 0.00 179.01 178.62 1udi h GLU 28 N 0.43 0.25 0.00 2.33 5.08 -0.73 -3.11 114.58 118.83 1udi h GLU 28 Ca 0.02 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1udi h GLU 28 Cb 1.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 1udi h GLU 28 CO 0.09 0.65 -0.13 0.28 -1.00 0.00 0.00 179.01 178.90 1udi h VAL 29 N 0.20 0.95 -1.35 3.13 2.07 -1.40 -3.37 116.25 116.49 1udi h VAL 29 Ca 0.01 -1.75 0.45 0.00 0.82 0.00 0.00 66.70 66.24 1udi h VAL 29 Cb 0.87 1.83 -0.13 0.00 -1.52 0.00 0.00 31.29 32.34 1udi h VAL 29 CO 0.07 0.32 0.87 -0.08 0.02 0.00 0.00 177.57 178.77 1udi h GLU 30 N -1.00 0.05 0.00 1.57 4.81 -0.03 0.61 114.58 120.59 1udi h GLU 30 Ca -0.03 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1udi h GLU 30 Cb 0.62 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1udi h GLU 30 CO -0.02 0.03 -0.01 1.49 -0.73 0.00 0.00 179.01 179.78 1udi h GLU 31 N 0.05 0.00 0.00 1.92 4.81 -1.69 -2.65 114.58 117.02 1udi h GLU 31 Ca 0.85 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.89 1udi h GLU 31 Cb 2.69 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 32.04 1udi h GLU 31 CO -0.44 0.01 -1.52 0.28 -0.73 0.00 0.00 179.01 176.60 1udi n VAL 32 N -4.42 0.90 0.20 0.32 0.31 0.21 -4.71 118.33 111.14 1udi n VAL 32 Ca -0.03 -0.10 0.05 0.00 -0.01 0.00 0.00 64.34 64.25 1udi n VAL 32 Cb 0.10 -1.75 0.42 0.00 -0.91 0.00 0.00 33.84 31.70 1udi n VAL 32 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1udi h ILE 33 N -0.51 1.04 0.00 2.52 1.08 -1.53 -3.47 117.51 116.65 1udi h ILE 33 Ca -0.29 -1.20 0.00 0.00 -0.39 0.00 0.00 64.86 62.98 1udi h ILE 33 Cb 1.15 1.69 0.00 0.00 -3.07 0.00 0.00 36.82 36.58 1udi h ILE 33 CO -0.17 0.32 0.00 0.61 -0.69 0.00 0.00 178.15 178.22 1udi n GLY 34 N -0.33 3.09 3.95 5.37 0.00 -1.00 -5.02 105.19 111.26 1udi n GLY 34 Ca -0.01 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 1udi n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1udi s ASN 35 N 0.00 6.32 -0.22 1.61 0.01 -1.26 -4.91 114.94 116.49 1udi s ASN 35 Ca 0.00 0.23 -0.07 0.00 -0.71 0.00 0.00 52.86 52.31 1udi s ASN 35 Cb 0.00 -1.93 -0.03 0.00 0.41 0.00 0.00 41.25 39.69 1udi s ASN 35 CO 0.00 -0.13 0.06 -0.75 -1.51 0.00 0.00 177.10 174.77 1udi s LYS 36 N -3.96 3.74 0.90 -0.60 2.20 -1.26 -3.88 119.74 116.89 1udi s LYS 36 Ca 0.36 -0.45 -0.12 0.00 -0.36 0.00 0.00 55.97 55.41 1udi s LYS 36 Cb -0.10 -3.26 0.13 0.00 -1.51 0.00 0.00 37.83 33.10 1udi s LYS 36 CO 0.31 -0.03 1.11 -1.25 -0.36 0.00 0.00 175.35 175.14 1udi s PRO 37 N 1.17 1.23 0.11 4.03 0.04 -1.26 -4.97 135.00 135.35 1udi s PRO 37 Ca 0.04 0.47 -0.09 0.00 0.04 0.00 0.00 61.00 61.46 1udi s PRO 37 Cb -0.14 -1.83 -0.15 0.00 0.04 0.00 0.00 34.50 32.41 1udi s PRO 37 CO 0.03 -2.18 1.27 1.05 0.04 0.00 0.00 177.00 177.21 1udi h GLU 38 N -1.49 0.57 0.00 4.56 4.11 -1.99 -3.46 114.58 116.88 1udi h GLU 38 Ca -0.50 -0.59 0.00 0.00 0.07 0.00 0.00 59.36 58.34 1udi h GLU 38 Cb 1.31 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1udi h GLU 38 CO 0.60 1.21 0.00 -1.13 0.07 0.00 0.00 179.01 179.75 1udi n SER 39 N -3.82 1.44 -4.76 3.06 3.41 -1.26 -5.02 113.62 106.67 1udi n SER 39 Ca -0.08 -0.22 -0.39 0.00 -0.26 0.00 0.00 58.87 57.91 1udi n SER 39 Cb 0.84 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.74 1udi n SER 39 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1udi s ASP 40 N 0.55 7.24 -0.13 4.04 1.01 -1.26 -4.11 116.67 124.00 1udi s ASP 40 Ca 0.00 2.11 -0.04 0.00 0.71 0.00 0.00 52.55 55.33 1udi s ASP 40 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1udi s ASP 40 CO 0.00 -0.15 0.02 -0.63 0.21 0.00 0.00 175.17 174.62 1udi s ILE 41 N -1.32 4.47 -0.35 0.77 -1.09 0.50 -2.77 121.20 121.41 1udi s ILE 41 Ca 0.47 -0.17 -0.13 0.00 -2.23 0.00 0.00 60.65 58.60 1udi s ILE 41 Cb -0.27 -2.94 -0.01 0.00 -1.58 0.00 0.00 42.46 37.65 1udi s ILE 41 CO 0.34 0.54 0.25 -0.76 -1.23 0.00 0.00 174.94 174.08 1udi s LEU 42 N -0.25 4.62 -0.45 2.97 1.43 -0.50 0.07 118.68 126.56 1udi s LEU 42 Ca 0.07 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.43 1udi s LEU 42 Cb -0.12 -2.13 0.03 0.00 0.03 0.00 0.00 46.19 44.00 1udi s LEU 42 CO 0.02 -0.28 0.62 -0.69 0.23 0.00 0.00 176.35 176.25 1udi s VAL 43 N 1.70 4.86 -0.27 -1.59 1.01 0.70 -1.09 120.40 125.72 1udi s VAL 43 Ca 0.06 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 1udi s VAL 43 Cb -0.18 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 1udi s VAL 43 CO 0.10 -0.64 0.45 -1.00 0.00 0.00 0.00 175.10 174.01 1udi s HIS 44 N 2.73 3.25 -0.09 5.22 3.76 -0.44 -1.53 115.29 128.18 1udi s HIS 44 Ca 0.20 0.48 0.02 0.00 -0.15 0.00 0.00 55.06 55.61 1udi s HIS 44 Cb -0.16 -2.67 -0.02 0.00 1.11 0.00 0.00 32.58 30.85 1udi s HIS 44 CO 0.17 -0.28 -0.17 0.99 -0.85 0.00 0.00 174.74 174.60 1udi s THR 45 N 2.20 2.78 0.27 1.30 2.01 -0.65 -0.27 115.64 123.29 1udi s THR 45 Ca 0.18 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.46 1udi s THR 45 Cb -0.16 -2.12 -0.06 0.00 0.01 0.00 0.00 72.50 70.18 1udi s THR 45 CO 0.10 0.55 -0.06 0.00 -0.69 0.00 0.00 174.62 174.52 1udi s ALA 46 N 0.00 2.28 -0.10 7.40 0.00 0.02 -0.05 121.76 131.31 1udi s ALA 46 Ca -0.05 -1.88 -0.00 0.00 0.00 0.00 0.00 51.96 50.03 1udi s ALA 46 Cb -0.15 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1udi s ALA 46 CO 0.04 -0.08 -0.06 -0.47 0.00 0.00 0.00 175.76 175.19 1udi s TYR 47 N -3.04 1.26 -0.87 0.00 5.04 -1.26 -0.36 117.35 118.12 1udi s TYR 47 Ca 0.29 -0.57 -0.18 0.00 -2.44 0.00 0.00 57.07 54.17 1udi s TYR 47 Cb 0.04 -1.09 0.14 0.00 0.35 0.00 0.00 41.96 41.40 1udi s TYR 47 CO 0.11 -0.43 1.02 0.34 -1.34 0.00 0.00 175.55 175.25 1udi s ASP 48 N 1.62 6.60 0.47 4.32 -1.08 0.81 -4.91 116.67 124.50 1udi s ASP 48 Ca 0.02 -2.06 0.19 0.00 -0.52 0.00 0.00 52.55 50.18 1udi s ASP 48 Cb -0.13 -2.36 1.18 0.00 -1.46 0.00 0.00 42.92 40.15 1udi s ASP 48 CO -0.06 -0.99 1.97 -0.08 0.52 0.00 0.00 175.17 176.52 1udi h GLU 49 N 8.70 0.24 0.55 4.34 4.57 -1.94 0.57 114.58 131.62 1udi h GLU 49 Ca 0.09 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1udi h GLU 49 Cb 1.03 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.57 1udi h GLU 49 CO 1.04 0.16 -0.34 0.66 -1.18 0.00 0.00 179.01 179.35 1udi h SER 50 N 0.25 -0.86 0.96 1.04 4.64 -1.96 -2.64 113.55 114.99 1udi h SER 50 Ca 0.29 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1udi h SER 50 Cb 0.81 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1udi h SER 50 CO -0.06 -0.52 0.00 0.35 -0.87 0.00 0.00 176.83 175.72 1udi n THR 51 N -4.51 0.24 -3.48 2.95 -2.24 -1.10 -4.92 114.28 101.23 1udi n THR 51 Ca -0.10 0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 1udi n THR 51 Cb 0.35 -0.60 0.08 0.00 -2.10 0.00 0.00 70.33 68.06 1udi n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1udi n ASP 52 N -1.60 -4.18 -4.50 3.42 2.03 0.19 -4.71 116.55 107.22 1udi n ASP 52 Ca 0.06 -0.56 -0.28 0.00 0.52 0.00 0.00 54.79 54.53 1udi n ASP 52 Cb 0.32 -4.95 -0.11 0.00 -0.72 0.00 0.00 41.12 35.66 1udi n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1udi s GLU 53 N -5.81 1.80 -0.31 -0.67 2.02 -0.89 -3.51 118.70 111.33 1udi s GLU 53 Ca 0.29 -1.28 -0.11 0.00 0.02 0.00 0.00 54.97 53.88 1udi s GLU 53 Cb -0.13 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 1udi s GLU 53 CO 0.71 0.45 0.20 -0.80 0.02 0.00 0.00 175.26 175.84 1udi s ASN 54 N -2.45 5.90 -0.36 -0.19 0.01 -0.90 -0.14 114.94 116.82 1udi s ASN 54 Ca 0.20 -0.29 -0.14 0.00 -0.71 0.00 0.00 52.86 51.92 1udi s ASN 54 Cb -0.09 -2.10 -0.00 0.00 0.41 0.00 0.00 41.25 39.46 1udi s ASN 54 CO 0.11 -0.16 0.30 -0.69 -1.51 0.00 0.00 177.10 175.16 1udi s VAL 55 N 1.71 5.23 -0.22 1.60 1.01 0.52 -2.29 120.40 127.96 1udi s VAL 55 Ca 0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 1udi s VAL 55 Cb -0.17 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1udi s VAL 55 CO 0.10 -0.13 -0.03 -0.04 0.00 0.00 0.00 175.10 175.00 1udi s MET 56 N 1.82 3.43 -0.47 2.72 -1.94 0.52 -0.80 119.30 124.58 1udi s MET 56 Ca 0.08 -0.60 -0.13 0.00 -1.71 0.00 0.00 55.69 53.33 1udi s MET 56 Cb -0.17 -3.04 0.09 0.00 2.01 0.00 0.00 34.83 33.72 1udi s MET 56 CO 0.11 -0.17 0.37 -1.17 -0.01 0.00 0.00 175.02 174.15 1udi s LEU 57 N 1.42 5.60 -0.42 -0.03 1.98 0.63 -0.39 118.68 127.47 1udi s LEU 57 Ca 0.05 -1.57 -0.25 0.00 -2.89 0.00 0.00 54.13 49.47 1udi s LEU 57 Cb -0.14 -2.10 0.02 0.00 0.66 0.00 0.00 46.19 44.63 1udi s LEU 57 CO -0.02 -0.66 0.89 -0.76 -1.89 0.00 0.00 176.35 173.91 1udi s LEU 58 N 1.52 4.05 0.00 -0.68 1.43 -0.59 -1.32 118.68 123.08 1udi s LEU 58 Ca 0.04 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 1udi s LEU 58 Cb -0.25 -3.16 0.03 0.00 0.03 0.00 0.00 46.19 42.84 1udi s LEU 58 CO 0.03 -0.94 0.24 0.35 0.23 0.00 0.00 176.35 176.27 1udi n THR 59 N 6.18 0.00 -2.19 5.49 -2.24 -0.25 -1.36 114.28 119.91 1udi n THR 59 Ca 0.05 -1.92 -0.26 0.00 -2.27 0.00 0.00 64.05 59.65 1udi n THR 59 Cb 0.48 0.06 0.07 0.00 -2.10 0.00 0.00 70.33 68.85 1udi n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1udi s SER 60 N -3.65 4.72 0.98 3.42 1.04 -0.08 -1.41 113.70 118.73 1udi s SER 60 Ca 0.19 0.43 -0.11 0.00 0.48 0.00 0.00 55.95 56.94 1udi s SER 60 Cb -0.01 -1.05 0.18 0.00 0.10 0.00 0.00 66.02 65.24 1udi s SER 60 CO 0.12 -1.66 1.10 -0.62 0.98 0.00 0.00 173.24 173.16 1udi s ASP 61 N -4.54 2.47 0.65 7.02 2.15 -1.11 -3.21 116.67 120.10 1udi s ASP 61 Ca 0.61 1.93 -0.17 0.00 0.43 0.00 0.00 52.55 55.35 1udi s ASP 61 Cb -0.10 -2.47 -0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1udi s ASP 61 CO 0.45 -3.34 1.22 0.00 -0.17 0.00 0.00 175.17 173.33 1udi s ALA 62 N -2.63 2.37 -2.25 3.66 0.00 -1.26 -1.40 121.76 120.25 1udi s ALA 62 Ca 0.67 0.98 0.20 0.00 0.00 0.00 0.00 51.96 53.81 1udi s ALA 62 Cb -0.23 -3.47 0.54 0.00 0.00 0.00 0.00 23.12 19.96 1udi s ALA 62 CO 0.60 -1.48 1.44 -0.35 0.00 0.00 0.00 175.76 175.97 1udi n PRO 63 N -2.06 2.20 0.12 0.00 -0.04 -1.26 -4.84 135.00 129.13 1udi n PRO 63 Ca 0.14 -1.83 -0.09 0.00 -0.04 0.00 0.00 63.50 61.68 1udi n PRO 63 Cb 0.50 -1.45 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 1udi n PRO 63 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1udi h GLU 64 N 3.38 -0.38 -4.90 0.54 4.81 -1.77 -3.47 114.58 112.79 1udi h GLU 64 Ca 0.00 0.03 -0.41 0.00 -0.13 0.00 0.00 59.36 58.85 1udi h GLU 64 Cb 0.75 0.09 0.08 0.00 0.63 0.00 0.00 28.75 30.30 1udi h GLU 64 CO 0.00 -0.13 -0.63 0.66 -0.73 0.00 0.00 179.01 178.18 1udi n TYR 65 N -5.04 -2.26 -2.43 0.92 4.01 -0.49 -4.96 117.16 106.93 1udi n TYR 65 Ca -0.07 0.68 -0.42 0.00 -0.16 0.00 0.00 57.90 57.93 1udi n TYR 65 Cb 0.21 -4.68 -0.03 0.00 -0.31 0.00 0.00 39.34 34.54 1udi n TYR 65 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1udi s LYS 66 N -5.90 4.35 0.20 -0.72 2.20 -1.26 -4.49 119.74 114.13 1udi s LYS 66 Ca 0.39 1.72 -0.32 0.00 -0.36 0.00 0.00 55.97 57.40 1udi s LYS 66 Cb -0.17 -3.54 -0.12 0.00 -1.51 0.00 0.00 37.83 32.48 1udi s LYS 66 CO 0.49 -0.45 1.67 -2.30 -0.36 0.00 0.00 175.35 174.40 1udi n PRO 67 N 5.12 2.60 0.00 4.03 -0.02 -1.26 -0.90 135.00 144.57 1udi n PRO 67 Ca 0.11 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1udi n PRO 67 Cb 0.46 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 1udi n PRO 67 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1udi n TRP 68 N 3.64 0.00 -3.49 6.00 -0.00 -0.46 -4.87 117.44 118.26 1udi n TRP 68 Ca 0.16 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.50 1udi n TRP 68 Cb 0.33 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.60 1udi n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1udi s ALA 69 N -1.95 -1.67 -0.05 5.87 0.00 -1.09 -2.52 121.76 120.36 1udi s ALA 69 Ca 0.00 0.96 0.06 0.00 0.00 0.00 0.00 51.96 52.98 1udi s ALA 69 Cb 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 1udi s ALA 69 CO 0.00 -0.53 -0.24 -1.17 0.00 0.00 0.00 175.76 173.82 1udi s LEU 70 N -1.83 2.05 -0.08 0.00 2.96 0.63 -1.54 118.68 120.88 1udi s LEU 70 Ca -0.06 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 1udi s LEU 70 Cb -0.00 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 45.39 1udi s LEU 70 CO 0.01 0.25 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.55 1udi s VAL 71 N -0.26 0.74 -0.20 1.68 1.01 0.47 -0.50 120.40 123.34 1udi s VAL 71 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1udi s VAL 71 Cb -0.12 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 1udi s VAL 71 CO 0.02 0.30 -0.02 -0.63 0.00 0.00 0.00 175.10 174.77 1udi s ILE 72 N 1.46 3.73 -0.13 2.22 -1.09 -0.03 -0.35 121.20 127.01 1udi s ILE 72 Ca -0.01 -0.39 0.02 0.00 -2.23 0.00 0.00 60.65 58.04 1udi s ILE 72 Cb -0.13 -2.67 -0.00 0.00 -1.58 0.00 0.00 42.46 38.07 1udi s ILE 72 CO -0.04 0.44 -0.19 -1.58 -1.23 0.00 0.00 174.94 172.34 1udi s GLN 73 N 1.02 3.15 0.76 2.79 0.74 -0.97 0.62 119.66 127.77 1udi s GLN 73 Ca 0.01 -0.81 -0.09 0.00 0.05 0.00 0.00 55.36 54.53 1udi s GLN 73 Cb -0.14 -2.47 0.08 0.00 1.10 0.00 0.00 33.01 31.58 1udi s GLN 73 CO 0.01 0.11 1.09 0.16 -0.55 0.00 0.00 175.29 176.11 1udi s ASP 74 N 0.54 4.55 0.63 6.67 1.47 0.37 -2.12 116.67 128.78 1udi s ASP 74 Ca -0.12 0.48 0.27 0.00 1.18 0.00 0.00 52.55 54.36 1udi s ASP 74 Cb -0.16 -1.02 1.37 0.00 -0.34 0.00 0.00 42.92 42.76 1udi s ASP 74 CO 0.04 -1.80 1.78 0.28 0.68 0.00 0.00 175.17 176.16 1udi h SER 75 N -0.81 0.00 -0.55 2.11 0.02 -1.84 0.51 113.55 112.99 1udi h SER 75 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1udi h SER 75 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1udi h SER 75 CO 0.59 0.00 0.00 -0.46 -1.14 0.00 0.00 176.83 175.82 1udi n ASN 76 N -3.22 5.22 0.00 3.07 6.94 -1.26 -4.93 115.26 121.08 1udi n ASN 76 Ca 0.04 -2.76 0.00 0.00 -0.02 0.00 0.00 54.58 51.84 1udi n ASN 76 Cb 0.64 -0.65 0.00 0.00 -2.36 0.00 0.00 39.78 37.41 1udi n ASN 76 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1udi n GLY 77 N 0.70 0.90 3.72 4.83 0.00 0.18 -5.00 105.19 110.53 1udi n GLY 77 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1udi n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1udi s GLU 78 N -0.20 4.56 0.18 1.61 2.12 -1.25 -4.75 118.70 120.97 1udi s GLU 78 Ca 0.00 1.61 -0.02 0.00 0.36 0.00 0.00 54.97 56.92 1udi s GLU 78 Cb 0.00 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1udi s GLU 78 CO 0.00 -0.03 0.38 -0.80 -0.54 0.00 0.00 175.26 174.27 1udi s ASN 79 N 0.53 6.41 -0.23 -1.70 0.01 -1.26 -0.48 114.94 118.22 1udi s ASN 79 Ca 0.52 0.45 -0.01 0.00 -0.71 0.00 0.00 52.86 53.11 1udi s ASN 79 Cb -0.26 -2.03 0.07 0.00 0.41 0.00 0.00 41.25 39.44 1udi s ASN 79 CO 0.31 -0.01 0.02 -0.54 -1.51 0.00 0.00 177.10 175.36 1udi s LYS 80 N -3.11 1.00 -0.16 -0.60 3.01 0.20 -4.96 119.74 115.12 1udi s LYS 80 Ca 0.39 -0.75 -0.10 0.00 -1.01 0.00 0.00 55.97 54.49 1udi s LYS 80 Cb -0.11 -2.27 -0.05 0.00 -1.01 0.00 0.00 37.83 34.39 1udi s LYS 80 CO 0.28 -0.69 0.18 0.42 0.51 0.00 0.00 175.35 176.04 1udi s ILE 81 N 1.64 5.40 -0.25 2.17 1.01 -1.26 -0.85 121.20 129.05 1udi s ILE 81 Ca -0.01 0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.91 1udi s ILE 81 Cb -0.18 -3.50 0.08 0.00 0.01 0.00 0.00 42.46 38.88 1udi s ILE 81 CO -0.10 0.48 0.08 -0.75 0.00 0.00 0.00 174.94 174.64 1udi s LYS 82 N -0.01 0.53 0.03 2.79 2.20 0.34 -4.99 119.74 120.64 1udi s LYS 82 Ca 0.12 -0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 54.79 1udi s LYS 82 Cb -0.12 -1.85 -0.07 0.00 -1.51 0.00 0.00 37.83 34.29 1udi s LYS 82 CO 0.01 -0.84 1.47 -1.64 -0.36 0.00 0.00 175.35 173.99 1udi s MET 83 N 1.85 4.26 0.00 4.03 -1.94 -1.26 -0.27 119.30 125.97 1udi s MET 83 Ca 0.05 2.08 0.22 0.00 -1.71 0.00 0.00 55.69 56.32 1udi s MET 83 Cb -0.17 -3.54 0.17 0.00 2.01 0.00 0.00 34.83 33.30 1udi s MET 83 CO -0.20 -0.61 1.19 1.28 -0.01 0.00 0.00 175.02 176.67