#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ige n GLY 3 N 0.00 -1.64 3.44 -0.02 0.00 -1.26 -4.72 105.19 100.99 3ige n GLY 3 Ca 0.00 -1.54 -0.22 0.00 0.00 0.00 0.00 46.02 44.26 3ige n GLY 3 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ige s TYR 4 N 0.00 2.10 -0.38 1.61 1.51 0.10 -1.14 117.35 121.15 3ige s TYR 4 Ca 0.00 -0.46 -0.03 0.00 -1.01 0.00 0.00 57.07 55.57 3ige s TYR 4 Cb 0.00 -1.00 0.09 0.00 -0.11 0.00 0.00 41.96 40.95 3ige s TYR 4 CO 0.00 0.55 0.15 0.08 -1.11 0.00 0.00 175.55 175.22 3ige s VAL 5 N -2.71 3.29 -0.46 0.71 1.01 0.22 -2.07 120.40 120.39 3ige s VAL 5 Ca 0.28 -1.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.16 3ige s VAL 5 Cb -0.02 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 33.25 3ige s VAL 5 CO 0.12 -0.52 1.17 0.20 0.00 0.00 0.00 175.10 176.08 3ige s ASN 6 N 1.68 6.61 -0.17 3.32 0.01 0.45 -1.73 114.94 125.11 3ige s ASN 6 Ca 0.04 0.57 -0.03 0.00 -0.71 0.00 0.00 52.86 52.73 3ige s ASN 6 Cb -0.22 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 38.88 3ige s ASN 6 CO -0.03 -1.25 -0.06 -0.63 -1.51 0.00 0.00 177.10 173.62 3ige s ILE 7 N 4.54 3.51 -0.19 0.60 1.01 0.47 -1.46 121.20 129.67 3ige s ILE 7 Ca 0.50 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.68 3ige s ILE 7 Cb -0.08 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.87 3ige s ILE 7 CO 0.31 0.48 -0.14 -0.75 0.00 0.00 0.00 174.94 174.83 3ige s LYS 8 N 0.74 2.43 0.05 2.79 2.20 -0.88 -0.86 119.74 126.20 3ige s LYS 8 Ca -0.03 -0.86 -0.03 0.00 -0.36 0.00 0.00 55.97 54.70 3ige s LYS 8 Cb -0.15 -2.47 -0.04 0.00 -1.51 0.00 0.00 37.83 33.66 3ige s LYS 8 CO 0.02 -0.34 0.25 0.95 -0.36 0.00 0.00 175.35 175.87 3ige s THR 9 N 1.34 5.34 -0.09 3.43 -4.23 0.04 -0.62 115.64 120.84 3ige s THR 9 Ca 0.01 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.35 3ige s THR 9 Cb -0.15 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 3ige s THR 9 CO -0.10 0.22 0.08 -0.36 -0.54 0.00 0.00 174.62 173.92 3ige s PHE 10 N -1.44 3.38 0.36 3.99 0.08 -0.74 -2.40 117.98 121.21 3ige s PHE 10 Ca 0.32 0.35 -0.28 0.00 0.12 0.00 0.00 56.93 57.45 3ige s PHE 10 Cb -0.13 -1.85 -0.10 0.00 -0.57 0.00 0.00 43.02 40.37 3ige s PHE 10 CO 0.22 0.61 1.34 0.99 -0.10 0.00 0.00 175.22 178.28 3ige s THR 11 N -1.00 2.56 -0.09 0.64 2.01 -1.26 -4.37 115.64 114.13 3ige s THR 11 Ca 0.16 0.55 -0.29 0.00 0.31 0.00 0.00 61.69 62.42 3ige s THR 11 Cb -0.12 -3.34 0.07 0.00 0.01 0.00 0.00 72.50 69.12 3ige s THR 11 CO 0.05 0.12 0.66 -1.38 -0.69 0.00 0.00 174.62 173.38 3ige s HIS 12 N -1.17 -0.66 0.19 4.92 -3.43 -0.98 -4.90 115.29 109.26 3ige s HIS 12 Ca 0.52 1.24 -0.32 0.00 -0.80 0.00 0.00 55.06 55.70 3ige s HIS 12 Cb -0.40 0.36 -0.12 0.00 -1.43 0.00 0.00 32.58 30.98 3ige s HIS 12 CO 0.54 -0.55 1.71 -2.30 -2.00 0.00 0.00 174.74 172.14 3ige n PRO 13 N 1.31 2.68 -2.96 -0.38 -0.02 -1.26 -0.71 135.00 133.66 3ige n PRO 13 Ca -0.18 0.97 -0.29 0.00 -2.02 0.00 0.00 63.50 61.98 3ige n PRO 13 Cb 0.57 -2.81 -0.04 0.00 -0.02 0.00 0.00 33.50 31.20 3ige n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ige n ALA 14 N 4.06 4.79 0.00 3.55 0.00 -1.02 -4.79 120.51 127.11 3ige n ALA 14 Ca 0.16 -4.71 0.00 0.00 0.00 0.00 0.00 53.44 48.90 3ige n ALA 14 Cb 0.34 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3ige n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ige n GLY 15 N -0.08 -0.03 3.66 0.00 0.00 -1.26 -4.26 105.19 103.22 3ige n GLY 15 Ca 0.33 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 3ige n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ige s GLU 16 N -4.08 4.16 0.00 1.61 2.12 -1.26 -1.27 118.70 119.99 3ige s GLU 16 Ca 0.00 2.43 0.00 0.00 0.36 0.00 0.00 54.97 57.76 3ige s GLU 16 Cb 0.00 -4.06 0.00 0.00 0.26 0.00 0.00 34.13 30.33 3ige s GLU 16 CO 0.00 -0.90 0.00 0.41 -0.54 0.00 0.00 175.26 174.23 3ige n GLY 17 N 4.35 0.24 3.22 -1.50 0.00 -1.26 -5.06 105.19 105.18 3ige n GLY 17 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 3ige n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ige s LYS 18 N -0.96 1.23 0.29 1.61 1.02 -0.39 -3.54 119.74 119.00 3ige s LYS 18 Ca 0.00 -1.65 -0.20 0.00 0.02 0.00 0.00 55.97 54.14 3ige s LYS 18 Cb 0.00 0.20 0.04 0.00 -0.52 0.00 0.00 37.83 37.55 3ige s LYS 18 CO 0.00 -0.38 0.79 -1.83 -0.92 0.00 0.00 175.35 173.01 3ige s GLU 19 N -4.14 1.83 -0.35 1.68 -1.05 -0.37 -2.43 118.70 113.87 3ige s GLU 19 Ca 0.39 -1.08 0.03 0.00 -0.15 0.00 0.00 54.97 54.16 3ige s GLU 19 Cb 0.07 0.58 0.10 0.00 -0.44 0.00 0.00 34.13 34.44 3ige s GLU 19 CO 0.12 -0.85 0.08 0.08 0.95 0.00 0.00 175.26 175.64 3ige s VAL 20 N -3.26 2.04 0.11 1.83 1.01 0.12 -0.31 120.40 121.95 3ige s VAL 20 Ca 0.13 -2.27 -0.31 0.00 0.00 0.00 0.00 61.98 59.53 3ige s VAL 20 Cb -0.05 -2.51 -0.09 0.00 0.00 0.00 0.00 36.38 33.73 3ige s VAL 20 CO 0.08 -0.64 1.58 -0.54 0.00 0.00 0.00 175.10 175.59 3ige s LYS 21 N 0.92 4.22 0.64 2.72 1.02 -1.26 -2.32 119.74 125.68 3ige s LYS 21 Ca 0.11 2.31 -0.15 0.00 0.02 0.00 0.00 55.97 58.26 3ige s LYS 21 Cb -0.19 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.73 3ige s LYS 21 CO -0.10 -0.65 1.11 0.20 -0.92 0.00 0.00 175.35 174.99 3ige s GLY 22 N 1.72 2.18 0.20 -3.33 0.00 -1.26 -4.82 107.32 102.02 3ige s GLY 22 Ca 0.71 0.55 -0.01 0.00 0.00 0.00 0.00 44.72 45.97 3ige s GLY 22 CO 0.31 0.89 0.12 -3.16 0.00 0.00 0.00 173.10 171.27 3ige s MET 23 N -4.04 1.20 -0.13 2.90 0.23 -1.01 -4.85 119.30 113.60 3ige s MET 23 Ca 0.67 -1.63 -0.01 0.00 -1.03 0.00 0.00 55.69 53.70 3ige s MET 23 Cb -0.20 0.19 0.03 0.00 -1.53 0.00 0.00 34.83 33.33 3ige s MET 23 CO 0.40 -0.36 -0.05 -1.21 -2.03 0.00 0.00 175.02 171.77 3ige s GLU 24 N -4.13 1.30 -0.01 3.16 2.02 -1.26 -0.78 118.70 119.00 3ige s GLU 24 Ca 0.37 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.06 3ige s GLU 24 Cb 0.07 -1.67 0.01 0.00 0.10 0.00 0.00 34.13 32.64 3ige s GLU 24 CO 0.11 -0.35 0.01 0.54 0.02 0.00 0.00 175.26 175.59 3ige s VAL 25 N 1.73 -0.02 -0.32 2.63 0.11 -0.04 -4.17 120.40 120.33 3ige s VAL 25 Ca 0.03 0.10 -0.10 0.00 -2.93 0.00 0.00 61.98 59.08 3ige s VAL 25 Cb -0.14 -0.05 -0.01 0.00 -1.53 0.00 0.00 36.38 34.65 3ige s VAL 25 CO -0.08 0.04 0.17 -0.44 -3.33 0.00 0.00 175.10 171.47 3ige s SER 26 N 0.50 5.67 -0.18 3.54 0.01 -0.13 -0.40 113.70 122.72 3ige s SER 26 Ca -0.04 -0.48 -0.04 0.00 1.31 0.00 0.00 55.95 56.70 3ige s SER 26 Cb -0.06 -2.04 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 3ige s SER 26 CO -0.01 -0.20 -0.04 -0.69 0.41 0.00 0.00 173.24 172.71 3ige s VAL 27 N 1.64 3.70 0.13 3.43 1.01 -0.70 -1.62 120.40 127.99 3ige s VAL 27 Ca 0.05 -0.41 -0.35 0.00 0.00 0.00 0.00 61.98 61.27 3ige s VAL 27 Cb -0.17 -2.64 -0.16 0.00 0.00 0.00 0.00 36.38 33.42 3ige s VAL 27 CO 0.07 0.47 1.38 -2.65 0.00 0.00 0.00 175.10 174.37 3ige n PRO 28 N 3.97 1.49 -0.12 2.72 -0.02 -1.26 0.70 135.00 142.48 3ige n PRO 28 Ca -0.18 0.54 -0.06 0.00 -2.02 0.00 0.00 63.50 61.78 3ige n PRO 28 Cb 0.52 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3ige n PRO 28 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3ige h PHE 29 N 4.72 -0.62 -0.77 6.00 3.57 -1.42 -1.35 116.94 127.07 3ige h PHE 29 Ca -0.46 0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.21 3ige h PHE 29 Cb 1.31 0.33 -0.09 0.00 2.79 0.00 0.00 35.95 40.30 3ige h PHE 29 CO 0.59 -0.31 0.37 0.93 -2.23 0.00 0.00 178.31 177.66 3ige h GLU 30 N -0.17 0.55 -0.63 1.11 5.08 -1.89 0.41 114.58 119.04 3ige h GLU 30 Ca 0.19 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 3ige h GLU 30 Cb 0.47 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3ige h GLU 30 CO -0.50 0.36 0.16 0.82 -1.00 0.00 0.00 179.01 178.85 3ige h ILE 31 N 0.57 1.25 -0.11 3.13 2.04 -1.64 -1.89 117.51 120.85 3ige h ILE 31 Ca 0.41 -0.90 -0.11 0.00 1.00 0.00 0.00 64.86 65.25 3ige h ILE 31 Cb 0.54 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3ige h ILE 31 CO -0.34 0.34 -0.37 0.22 0.00 0.00 0.00 178.15 178.00 3ige h TYR 32 N 0.95 0.59 0.00 1.37 3.20 -0.00 -3.15 116.97 119.92 3ige h TYR 32 Ca 0.20 -0.24 -0.10 0.00 3.14 0.00 0.00 58.73 61.73 3ige h TYR 32 Cb 0.33 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3ige h TYR 32 CO 0.02 0.98 -0.50 0.66 -1.64 0.00 0.00 178.16 177.69 3ige h SER 33 N 0.03 0.00 -0.01 -2.11 4.64 -0.28 -3.07 113.55 112.75 3ige h SER 33 Ca -0.02 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 3ige h SER 33 Cb 1.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3ige h SER 33 CO 0.08 0.50 -0.39 0.78 -0.87 0.00 0.00 176.83 176.93 3ige h ASN 34 N 0.00 0.55 -2.19 4.97 2.35 -1.39 -3.45 115.58 116.43 3ige h ASN 34 Ca -0.00 -0.24 0.09 0.00 -0.55 0.00 0.00 56.30 55.59 3ige h ASN 34 Cb 0.91 -0.15 -0.22 0.00 0.05 0.00 0.00 38.32 38.91 3ige h ASN 34 CO 0.06 0.89 0.06 -0.70 -1.65 0.00 0.00 177.43 176.09 3ige s GLU 35 N -4.25 0.53 -0.07 0.81 2.12 -1.16 -5.12 118.70 111.57 3ige s GLU 35 Ca -0.07 1.13 -0.26 0.00 0.36 0.00 0.00 54.97 56.13 3ige s GLU 35 Cb 0.13 0.46 0.06 0.00 0.26 0.00 0.00 34.13 35.03 3ige s GLU 35 CO 0.82 -0.15 0.58 -3.38 -0.54 0.00 0.00 175.26 172.59 3ige s HIS 36 N 2.20 -0.55 -0.19 5.30 -3.43 -1.24 -4.56 115.29 112.82 3ige s HIS 36 Ca -0.07 0.99 -0.00 0.00 -0.80 0.00 0.00 55.06 55.18 3ige s HIS 36 Cb -0.08 0.31 0.01 0.00 -1.43 0.00 0.00 32.58 31.40 3ige s HIS 36 CO -0.18 -0.52 -0.16 0.50 -2.00 0.00 0.00 174.74 172.38 3ige s ARG 37 N -1.02 3.06 -0.42 -0.38 3.52 -1.26 -5.08 118.95 117.38 3ige s ARG 37 Ca -0.10 -0.80 -0.04 0.00 -0.13 0.00 0.00 55.73 54.66 3ige s ARG 37 Cb -0.02 -2.69 0.11 0.00 -1.56 0.00 0.00 34.95 30.79 3ige s ARG 37 CO 0.07 -0.22 0.22 0.42 -0.81 0.00 0.00 175.30 174.99 3ige s ILE 38 N 1.33 3.44 -0.20 4.11 1.01 -1.26 -4.95 121.20 124.67 3ige s ILE 38 Ca 0.05 -1.99 -0.17 0.00 0.00 0.00 0.00 60.65 58.54 3ige s ILE 38 Cb -0.14 -3.33 -0.20 0.00 0.01 0.00 0.00 42.46 38.81 3ige s ILE 38 CO -0.10 -0.69 0.16 0.00 0.00 0.00 0.00 174.94 174.30 3ige n ALA 39 N 4.65 0.88 -2.64 9.38 0.00 -1.26 -5.02 120.51 126.50 3ige n ALA 39 Ca -0.03 -0.61 -0.29 0.00 0.00 0.00 0.00 53.44 52.51 3ige n ALA 39 Cb 0.41 -0.48 -0.08 0.00 0.00 0.00 0.00 19.45 19.30 3ige n ALA 39 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3ige s ASP 40 N -6.97 3.46 -0.18 0.00 3.84 -1.26 -5.05 116.67 110.50 3ige s ASP 40 Ca -0.29 -1.66 0.14 0.00 -0.00 0.00 0.00 52.55 50.74 3ige s ASP 40 Cb 0.07 0.50 0.74 0.00 -1.38 0.00 0.00 42.92 42.85 3ige s ASP 40 CO 0.61 -0.89 1.63 0.00 -0.00 0.00 0.00 175.17 176.53 3ige n ALA 41 N -1.08 3.55 -1.93 2.11 0.00 -1.26 -4.68 120.51 117.22 3ige n ALA 41 Ca -0.12 -1.67 -0.40 0.00 0.00 0.00 0.00 53.44 51.24 3ige n ALA 41 Cb 0.66 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 3ige n ALA 41 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ige n HIS 42 N 0.74 2.62 -3.51 0.00 8.25 -1.26 -4.88 115.22 117.19 3ige n HIS 42 Ca 0.25 -2.86 -0.14 0.00 -0.26 0.00 0.00 57.72 54.71 3ige n HIS 42 Cb 1.04 -1.95 -0.05 0.00 1.12 0.00 0.00 29.99 30.15 3ige n HIS 42 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3ige s TYR 43 N -0.45 -0.55 0.17 4.41 1.13 -1.26 -1.78 117.35 119.01 3ige s TYR 43 Ca 0.54 0.76 0.09 0.00 -1.41 0.00 0.00 57.07 57.06 3ige s TYR 43 Cb 0.17 0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 41.46 3ige s TYR 43 CO -0.08 -0.61 -0.19 1.14 -2.51 0.00 0.00 175.55 173.30 3ige s GLN 44 N -1.96 1.31 -0.04 -3.49 -2.07 0.21 -4.98 119.66 108.64 3ige s GLN 44 Ca -0.05 -1.42 0.01 0.00 -1.82 0.00 0.00 55.36 52.08 3ige s GLN 44 Cb -0.00 -1.41 0.02 0.00 -1.09 0.00 0.00 33.01 30.53 3ige s GLN 44 CO 0.01 0.29 -0.04 0.99 -1.32 0.00 0.00 175.29 175.22 3ige s THR 45 N -1.97 0.47 -0.09 3.63 2.01 -1.26 -2.08 115.64 116.35 3ige s THR 45 Ca 0.16 -0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 3ige s THR 45 Cb -0.06 -0.50 0.04 0.00 0.01 0.00 0.00 72.50 71.99 3ige s THR 45 CO 0.07 0.20 0.03 -0.36 -0.69 0.00 0.00 174.62 173.87 3ige s PHE 46 N 0.81 0.56 0.50 4.92 0.08 -0.53 -4.98 117.98 119.34 3ige s PHE 46 Ca -0.10 -0.20 -0.19 0.00 0.12 0.00 0.00 56.93 56.55 3ige s PHE 46 Cb -0.13 -0.77 -0.08 0.00 -0.57 0.00 0.00 43.02 41.47 3ige s PHE 46 CO -0.00 -0.36 1.02 -2.14 -0.10 0.00 0.00 175.22 173.64 3ige s PRO 47 N 2.01 3.79 -0.16 0.24 0.02 -1.26 -0.42 135.00 139.23 3ige s PRO 47 Ca 0.04 1.25 -0.30 0.00 0.02 0.00 0.00 61.00 62.00 3ige s PRO 47 Cb -0.13 -2.10 0.13 0.00 0.02 0.00 0.00 34.50 32.42 3ige s PRO 47 CO -0.06 -0.42 1.05 -1.54 -0.33 0.00 0.00 177.00 175.70 3ige s SER 48 N -2.29 -0.31 0.29 2.53 1.04 -0.88 -4.92 113.70 109.16 3ige s SER 48 Ca 0.65 0.26 -0.02 0.00 0.48 0.00 0.00 55.95 57.32 3ige s SER 48 Cb -0.14 0.27 0.42 0.00 0.10 0.00 0.00 66.02 66.66 3ige s SER 48 CO 0.23 -0.33 1.90 -0.33 0.98 0.00 0.00 173.24 175.69 3ige h GLU 49 N 2.36 0.96 -6.21 4.02 5.08 -1.92 0.30 114.58 119.17 3ige h GLU 49 Ca -0.17 -0.12 -0.56 0.00 -1.00 0.00 0.00 59.36 57.51 3ige h GLU 49 Cb 1.18 -0.18 -0.10 0.00 0.50 0.00 0.00 28.75 30.14 3ige h GLU 49 CO 0.29 0.74 -0.66 0.15 -1.00 0.00 0.00 179.01 178.53 3ige s LYS 50 N -5.58 2.23 -0.22 2.33 1.02 -1.26 -4.34 119.74 113.93 3ige s LYS 50 Ca -0.11 -1.44 -0.29 0.00 0.02 0.00 0.00 55.97 54.15 3ige s LYS 50 Cb 0.17 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 3ige s LYS 50 CO 0.80 0.36 1.40 0.00 -0.92 0.00 0.00 175.35 176.99 3ige s ALA 51 N -2.32 3.46 0.08 5.17 0.00 -1.26 -4.71 121.76 122.18 3ige s ALA 51 Ca 0.31 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.68 3ige s ALA 51 Cb -0.06 -3.74 -0.24 0.00 0.00 0.00 0.00 23.12 19.07 3ige s ALA 51 CO 0.19 -1.59 1.15 0.00 0.00 0.00 0.00 175.76 175.51 3ige h ALA 52 N 9.32 0.29 -2.20 0.00 0.00 -1.96 -3.47 119.26 121.23 3ige h ALA 52 Ca -0.29 -0.96 -0.47 0.00 0.00 0.00 0.00 54.91 53.19 3ige h ALA 52 Cb 1.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3ige h ALA 52 CO 1.00 1.17 -0.45 0.71 0.00 0.00 0.00 179.25 181.68 3ige s TYR 53 N -2.68 3.40 0.12 0.00 2.02 -1.26 -5.03 117.35 113.92 3ige s TYR 53 Ca -0.02 -0.03 -0.18 0.00 -0.37 0.00 0.00 57.07 56.47 3ige s TYR 53 Cb 0.09 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 40.07 3ige s TYR 53 CO 0.84 0.46 1.70 1.15 -1.57 0.00 0.00 175.55 178.13 3ige h THR 54 N 1.24 1.16 -3.55 -0.71 2.02 -1.91 -3.41 112.91 107.75 3ige h THR 54 Ca -0.51 -0.44 -0.57 0.00 0.77 0.00 0.00 66.41 65.65 3ige h THR 54 Cb 1.23 0.86 -0.08 0.00 -1.74 0.00 0.00 68.15 68.42 3ige h THR 54 CO 0.61 0.16 0.81 -0.89 0.37 0.00 0.00 175.52 176.58 3ige s THR 55 N -5.72 4.39 -0.16 3.16 2.01 -1.26 -5.01 115.64 113.05 3ige s THR 55 Ca -0.13 1.32 0.01 0.00 0.31 0.00 0.00 61.69 63.20 3ige s THR 55 Cb 0.09 -4.48 0.00 0.00 0.01 0.00 0.00 72.50 68.12 3ige s THR 55 CO 0.73 -0.75 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.05 3ige s VAL 56 N 3.97 2.47 0.19 3.82 1.01 -1.26 -0.96 120.40 129.64 3ige s VAL 56 Ca 0.44 -0.83 -0.33 0.00 0.00 0.00 0.00 61.98 61.27 3ige s VAL 56 Cb -0.10 -2.04 -0.13 0.00 0.00 0.00 0.00 36.38 34.11 3ige s VAL 56 CO 0.24 0.52 1.62 0.52 0.00 0.00 0.00 175.10 178.00 3ige n VAL 57 N 4.24 0.13 -0.01 2.92 0.31 -0.64 -4.92 118.33 120.36 3ige n VAL 57 Ca -0.20 -0.03 -0.21 0.00 -0.01 0.00 0.00 64.34 63.89 3ige n VAL 57 Cb 0.51 -1.71 -0.13 0.00 -0.91 0.00 0.00 33.84 31.60 3ige n VAL 57 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3ige h THR 58 N 3.62 0.92 -3.28 2.52 1.35 -1.92 -3.43 112.91 112.69 3ige h THR 58 Ca -0.44 -2.35 -0.16 0.00 -0.55 0.00 0.00 66.41 62.90 3ige h THR 58 Cb 1.24 2.59 -0.04 0.00 -1.73 0.00 0.00 68.15 70.21 3ige h THR 58 CO 0.90 0.69 -0.05 -0.90 -0.25 0.00 0.00 175.52 175.91 3ige n ASP 59 N -3.90 -1.07 -0.20 5.36 5.68 -1.26 -5.03 116.55 116.12 3ige n ASP 59 Ca -0.28 -2.28 -0.07 0.00 -0.50 0.00 0.00 54.79 51.66 3ige n ASP 59 Cb 0.90 1.94 0.03 0.00 -1.14 0.00 0.00 41.12 42.85 3ige n ASP 59 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ige h ALA 60 N 1.88 0.72 -0.69 2.12 0.00 -1.96 -1.90 119.26 119.43 3ige h ALA 60 Ca -0.20 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3ige h ALA 60 Cb 0.84 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3ige h ALA 60 CO 0.27 0.18 0.15 0.00 0.00 0.00 0.00 179.25 179.85 3ige h ALA 61 N 1.19 0.96 -0.85 0.00 0.00 -1.99 -1.86 119.26 116.71 3ige h ALA 61 Ca 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ige h ALA 61 Cb -0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3ige h ALA 61 CO -0.04 0.66 0.48 0.22 0.00 0.00 0.00 179.25 180.57 3ige h ASP 62 N 1.05 1.05 -0.47 0.00 3.58 -1.88 -2.21 116.42 117.53 3ige h ASP 62 Ca 0.22 -0.08 -0.12 0.00 0.42 0.00 0.00 57.03 57.46 3ige h ASP 62 Cb 0.39 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 3ige h ASP 62 CO 0.01 0.83 -0.19 -0.25 -2.88 0.00 0.00 179.24 176.76 3ige h TRP 63 N 1.18 1.09 -0.59 0.28 -0.00 -0.97 -1.89 115.95 115.05 3ige h TRP 63 Ca 0.30 -0.26 -0.00 0.00 -0.00 0.00 0.00 58.89 58.93 3ige h TRP 63 Cb 0.01 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 28.88 3ige h TRP 63 CO 0.01 1.07 0.35 0.00 -0.00 0.00 0.00 178.44 179.87 3ige h ARG 64 N 0.80 0.80 -0.03 2.65 3.08 -1.00 0.18 114.38 120.86 3ige h ARG 64 Ca 0.11 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3ige h ARG 64 Cb 0.76 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 3ige h ARG 64 CO 0.06 0.56 -0.06 1.15 -1.07 0.00 0.00 179.97 180.62 3ige h THR 65 N 0.81 1.42 -0.37 2.04 2.02 -1.21 -2.62 112.91 115.00 3ige h THR 65 Ca 0.21 -1.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.00 3ige h THR 65 Cb -0.03 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 3ige h THR 65 CO -0.04 0.36 -0.02 0.11 0.37 0.00 0.00 175.52 176.29 3ige h LYS 66 N -0.41 0.67 -0.77 6.66 1.57 -1.17 -2.31 116.57 120.81 3ige h LYS 66 Ca 0.00 -0.22 0.06 0.00 -1.87 0.00 0.00 60.65 58.62 3ige h LYS 66 Cb 0.61 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 3ige h LYS 66 CO 0.01 0.78 0.50 -0.97 -0.57 0.00 0.00 179.45 179.21 3ige h ASN 67 N 0.48 0.72 0.38 0.86 -0.00 -0.72 -1.05 115.58 116.24 3ige h ASN 67 Ca 0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 56.30 56.28 3ige h ASN 67 Cb 0.50 -0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 38.66 3ige h ASN 67 CO 0.02 0.47 -0.52 0.00 -0.00 0.00 0.00 177.43 177.40 3ige h ALA 68 N 1.58 1.02 0.00 1.57 0.00 -1.23 -2.79 119.26 119.42 3ige h ALA 68 Ca 0.33 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ige h ALA 68 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ige h ALA 68 CO -0.11 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3ige n ALA 69 N -2.46 1.73 0.45 0.00 0.00 -0.41 -2.41 120.51 117.40 3ige n ALA 69 Ca -0.02 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.50 3ige n ALA 69 Cb 0.55 -1.26 0.42 0.00 0.00 0.00 0.00 19.45 19.16 3ige n ALA 69 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3ige h MET 70 N 0.00 0.00 0.00 0.00 2.07 -1.32 -3.30 114.93 112.38 3ige h MET 70 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3ige h MET 70 Cb 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.00 3ige h MET 70 CO 0.00 0.00 0.00 1.19 1.07 0.00 0.00 176.91 179.17 3ige n PHE 71 N -2.52 0.00 -3.02 -0.22 3.72 -1.01 -4.95 117.46 109.45 3ige n PHE 71 Ca 0.04 -0.09 -0.43 0.00 -0.05 0.00 0.00 57.45 56.91 3ige n PHE 71 Cb 0.38 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.85 3ige n PHE 71 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3ige s THR 72 N -0.19 4.72 0.29 4.37 2.01 -1.17 -5.03 115.64 120.64 3ige s THR 72 Ca 0.00 0.37 -0.29 0.00 0.31 0.00 0.00 61.69 62.07 3ige s THR 72 Cb 0.00 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 3ige s THR 72 CO 0.00 -0.64 1.42 -2.84 -0.69 0.00 0.00 174.62 171.87 3ige s PRO 73 N 3.11 4.26 0.04 4.92 0.02 -1.26 -4.81 135.00 141.27 3ige s PRO 73 Ca 0.27 2.33 0.05 0.00 0.02 0.00 0.00 61.00 63.67 3ige s PRO 73 Cb -0.13 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 3ige s PRO 73 CO 0.21 -0.39 -0.13 0.95 -0.33 0.00 0.00 177.00 177.31 3ige s THR 74 N -0.45 1.05 0.01 0.99 -4.23 0.58 -4.86 115.64 108.73 3ige s THR 74 Ca 0.56 -0.97 -0.36 0.00 -1.18 0.00 0.00 61.69 59.75 3ige s THR 74 Cb -0.42 -0.95 -0.14 0.00 1.34 0.00 0.00 72.50 72.32 3ige s THR 74 CO 0.49 -0.01 1.61 -2.65 -0.54 0.00 0.00 174.62 173.52 3ige n PRO 75 N 1.93 1.73 0.00 3.99 -0.02 -1.26 -1.23 135.00 140.14 3ige n PRO 75 Ca -0.18 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3ige n PRO 75 Cb 0.55 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3ige n PRO 75 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76