#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5o s ILE 2 N 0.00 0.44 0.08 1.12 1.01 -1.26 -5.12 121.20 117.48 1a5o s ILE 2 Ca 0.00 -0.11 -0.35 0.00 0.00 0.00 0.00 60.65 60.19 1a5o s ILE 2 Cb 0.00 -0.71 -0.14 0.00 0.01 0.00 0.00 42.46 41.62 1a5o s ILE 2 CO 0.00 0.11 1.57 -2.65 0.00 0.00 0.00 174.94 173.97 1a5o n PRO 3 N 5.11 1.85 -1.33 2.79 -0.02 -1.26 -2.43 135.00 139.71 1a5o n PRO 3 Ca -0.08 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 61.95 1a5o n PRO 3 Cb 0.49 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 1a5o n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a5o n GLY 4 N 3.36 1.23 3.76 -1.23 0.00 -1.26 -4.98 105.19 106.08 1a5o n GLY 4 Ca 0.19 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1a5o n GLY 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a5o s GLU 5 N -2.86 3.16 0.23 1.61 -1.05 -1.02 -5.02 118.70 113.74 1a5o s GLU 5 Ca 0.00 1.75 -0.06 0.00 -0.15 0.00 0.00 54.97 56.51 1a5o s GLU 5 Cb 0.00 -1.98 -0.06 0.00 -0.44 0.00 0.00 34.13 31.65 1a5o s GLU 5 CO 0.00 -1.04 0.50 0.71 0.95 0.00 0.00 175.26 176.38 1a5o s TYR 6 N -1.65 3.46 -0.52 4.83 2.02 -1.26 -5.03 117.35 119.20 1a5o s TYR 6 Ca 0.75 0.66 0.06 0.00 -0.37 0.00 0.00 57.07 58.17 1a5o s TYR 6 Cb -0.28 -2.11 0.21 0.00 -0.40 0.00 0.00 41.96 39.38 1a5o s TYR 6 CO 0.31 0.27 0.50 1.58 -1.57 0.00 0.00 175.55 176.65 1a5o n HIS 7 N -0.46 1.06 -2.34 2.71 -0.00 -1.26 -5.09 115.22 109.84 1a5o n HIS 7 Ca -0.01 -3.77 -0.42 0.00 -0.00 0.00 0.00 57.72 53.52 1a5o n HIS 7 Cb 0.53 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.99 30.23 1a5o n HIS 7 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1a5o s VAL 8 N -1.11 3.60 0.38 3.57 1.01 -1.26 -5.02 120.40 121.58 1a5o s VAL 8 Ca 0.33 1.26 -0.23 0.00 0.00 0.00 0.00 61.98 63.34 1a5o s VAL 8 Cb 0.08 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 1a5o s VAL 8 CO -0.13 0.16 0.94 -1.59 0.00 0.00 0.00 175.10 174.48 1a5o s LYS 9 N 0.29 4.37 0.46 2.72 -2.85 -1.26 -5.02 119.74 118.46 1a5o s LYS 9 Ca 0.56 1.20 -0.22 0.00 -1.00 0.00 0.00 55.97 56.51 1a5o s LYS 9 Cb -0.33 -2.44 -0.08 0.00 -2.06 0.00 0.00 37.83 32.92 1a5o s LYS 9 CO 0.34 0.10 1.12 -1.25 0.10 0.00 0.00 175.35 175.77 1a5o s PRO 10 N -2.71 3.79 0.00 1.78 0.04 -1.26 -4.94 135.00 131.71 1a5o s PRO 10 Ca 0.57 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1a5o s PRO 10 Cb -0.13 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1a5o s PRO 10 CO 0.17 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1a5o n GLY 11 N 0.32 0.41 3.15 0.56 0.00 -1.26 -5.15 105.19 103.22 1a5o n GLY 11 Ca 0.08 -1.64 -0.08 0.00 0.00 0.00 0.00 46.02 44.38 1a5o n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a5o s GLN 12 N -2.00 0.76 -0.07 1.61 -0.21 -1.26 -5.15 119.66 113.34 1a5o s GLN 12 Ca 0.00 -1.20 0.03 0.00 0.02 0.00 0.00 55.36 54.20 1a5o s GLN 12 Cb 0.00 0.26 -0.02 0.00 1.00 0.00 0.00 33.01 34.25 1a5o s GLN 12 CO 0.00 -0.20 -0.15 0.42 -2.12 0.00 0.00 175.29 173.24 1a5o s ILE 13 N -3.94 2.97 -0.29 1.08 -1.09 -1.26 -5.10 121.20 113.57 1a5o s ILE 13 Ca 0.11 -0.74 -0.12 0.00 -2.23 0.00 0.00 60.65 57.67 1a5o s ILE 13 Cb 0.07 -2.18 -0.04 0.00 -1.58 0.00 0.00 42.46 38.73 1a5o s ILE 13 CO -0.07 0.57 0.22 0.00 -1.23 0.00 0.00 174.94 174.43 1a5o s ALA 14 N -0.39 3.53 0.23 9.38 0.00 -1.26 -5.08 121.76 128.16 1a5o s ALA 14 Ca 0.04 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.79 1a5o s ALA 14 Cb -0.12 -2.54 -0.06 0.00 0.00 0.00 0.00 23.12 20.39 1a5o s ALA 14 CO 0.02 -0.66 0.52 -0.51 0.00 0.00 0.00 175.76 175.13 1a5o s LEU 15 N 1.78 4.16 -1.55 0.00 1.43 -1.26 -4.54 118.68 118.70 1a5o s LEU 15 Ca 0.07 0.81 -0.03 0.00 -1.03 0.00 0.00 54.13 53.96 1a5o s LEU 15 Cb -0.16 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.50 1a5o s LEU 15 CO 0.11 -0.08 0.19 0.59 0.23 0.00 0.00 176.35 177.38 1a5o n ASN 16 N -0.30 0.24 -4.78 2.29 5.03 -1.26 -4.90 115.26 111.58 1a5o n ASN 16 Ca -0.01 -1.20 -0.36 0.00 0.87 0.00 0.00 54.58 53.89 1a5o n ASN 16 Cb 0.53 -2.00 -0.02 0.00 -1.02 0.00 0.00 39.78 37.26 1a5o n ASN 16 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1a5o s THR 17 N -4.14 3.37 -0.47 3.41 -4.23 -1.26 -3.63 115.64 108.68 1a5o s THR 17 Ca 0.10 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 61.57 1a5o s THR 17 Cb -0.06 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1a5o s THR 17 CO 0.97 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 175.57 1a5o n GLY 18 N 0.22 0.55 3.17 3.99 0.00 -1.26 -5.04 105.19 106.82 1a5o n GLY 18 Ca 0.08 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 1a5o n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5o s ARG 19 N -3.03 1.32 0.32 1.61 0.52 -1.24 -5.11 118.95 113.34 1a5o s ARG 19 Ca 0.00 -0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 54.22 1a5o s ARG 19 Cb 0.00 -1.32 -0.12 0.00 0.52 0.00 0.00 34.95 34.03 1a5o s ARG 19 CO 0.00 0.35 1.40 0.00 0.02 0.00 0.00 175.30 177.07 1a5o n ALA 20 N 2.39 1.65 -2.12 2.13 0.00 -1.26 -4.83 120.51 118.47 1a5o n ALA 20 Ca -0.16 0.37 -0.08 0.00 0.00 0.00 0.00 53.44 53.57 1a5o n ALA 20 Cb 0.54 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 1a5o n ALA 20 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1a5o s THR 21 N -0.68 0.20 -0.06 0.00 -4.23 -1.26 -0.95 115.64 108.66 1a5o s THR 21 Ca 0.59 -1.86 -0.27 0.00 -1.18 0.00 0.00 61.69 58.97 1a5o s THR 21 Cb -0.56 -1.75 0.06 0.00 1.34 0.00 0.00 72.50 71.59 1a5o s THR 21 CO 0.57 -0.77 0.61 0.00 -0.54 0.00 0.00 174.62 174.50 1a5o s ARG 23 N -1.09 3.47 -0.01 0.00 0.52 -1.26 0.14 118.95 120.72 1a5o s ARG 23 Ca -0.11 -0.27 -0.01 0.00 -0.52 0.00 0.00 55.73 54.83 1a5o s ARG 23 Cb -0.01 -3.09 0.01 0.00 0.52 0.00 0.00 34.95 32.38 1a5o s ARG 23 CO 0.08 0.66 0.03 0.08 0.02 0.00 0.00 175.30 176.18 1a5o s VAL 24 N -1.33 -0.01 -0.13 3.52 1.01 -0.05 -4.97 120.40 118.45 1a5o s VAL 24 Ca 0.28 0.03 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 1a5o s VAL 24 Cb -0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 1a5o s VAL 24 CO 0.18 0.01 0.47 -0.69 0.00 0.00 0.00 175.10 175.08 1a5o s VAL 25 N 0.19 5.19 -0.03 2.92 1.01 -1.26 -0.41 120.40 128.01 1a5o s VAL 25 Ca -0.01 0.93 0.06 0.00 0.00 0.00 0.00 61.98 62.95 1a5o s VAL 25 Cb -0.02 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1a5o s VAL 25 CO -0.01 0.32 -0.20 -0.69 0.00 0.00 0.00 175.10 174.52 1a5o s VAL 26 N 0.70 1.58 -0.10 2.92 1.01 0.81 -4.60 120.40 122.72 1a5o s VAL 26 Ca 0.25 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1a5o s VAL 26 Cb -0.15 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.92 1a5o s VAL 26 CO 0.10 0.45 -0.11 -0.70 0.00 0.00 0.00 175.10 174.84 1a5o s GLU 27 N -0.31 1.75 -0.36 2.72 2.12 -0.78 -0.76 118.70 123.07 1a5o s GLU 27 Ca 0.04 -0.38 -0.29 0.00 0.36 0.00 0.00 54.97 54.70 1a5o s GLU 27 Cb -0.09 -1.60 0.02 0.00 0.26 0.00 0.00 34.13 32.72 1a5o s GLU 27 CO 0.00 -0.13 1.09 1.21 -0.54 0.00 0.00 175.26 176.90 1a5o s ASN 28 N 1.20 6.85 0.00 -1.70 2.47 0.10 -0.64 114.94 123.23 1a5o s ASN 28 Ca -0.04 0.90 0.23 0.00 0.42 0.00 0.00 52.86 54.36 1a5o s ASN 28 Cb -0.14 -2.54 0.39 0.00 -1.45 0.00 0.00 41.25 37.50 1a5o s ASN 28 CO -0.03 -0.97 1.37 1.41 -3.72 0.00 0.00 177.10 175.15 1a5o n HIS 29 N 7.12 0.43 -2.27 0.43 8.25 0.17 -1.74 115.22 127.61 1a5o n HIS 29 Ca 0.12 -0.22 -0.25 0.00 -0.26 0.00 0.00 57.72 57.10 1a5o n HIS 29 Cb 0.48 -0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.65 1a5o n HIS 29 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1a5o s GLY 30 N -1.51 1.71 0.00 -1.41 0.00 -1.26 -4.92 107.32 99.94 1a5o s GLY 30 Ca 0.36 -1.03 0.24 0.00 0.00 0.00 0.00 44.72 44.30 1a5o s GLY 30 CO 0.31 -0.62 1.32 2.09 0.00 0.00 0.00 173.10 176.19 1a5o n ASP 31 N -2.86 1.12 -4.39 1.64 5.75 -1.26 -4.02 116.55 112.54 1a5o n ASP 31 Ca 0.08 -0.90 -0.27 0.00 -0.01 0.00 0.00 54.79 53.70 1a5o n ASP 31 Cb 0.60 0.38 -0.12 0.00 -1.03 0.00 0.00 41.12 40.95 1a5o n ASP 31 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1a5o s ARG 32 N -2.69 1.42 0.70 0.11 0.52 -1.26 -4.79 118.95 112.96 1a5o s ARG 32 Ca 0.17 -1.42 -0.14 0.00 -0.52 0.00 0.00 55.73 53.82 1a5o s ARG 32 Cb 0.18 -1.77 0.02 0.00 0.52 0.00 0.00 34.95 33.90 1a5o s ARG 32 CO 0.63 0.40 1.13 -1.25 0.02 0.00 0.00 175.30 176.23 1a5o s PRO 33 N -2.41 2.47 0.00 3.54 0.04 -1.26 -4.40 135.00 132.98 1a5o s PRO 33 Ca 0.17 1.46 0.03 0.00 0.04 0.00 0.00 61.00 62.70 1a5o s PRO 33 Cb -0.09 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1a5o s PRO 33 CO 0.08 -1.52 -0.09 0.42 0.04 0.00 0.00 177.00 175.93 1a5o s ILE 34 N -2.34 0.67 -0.08 0.56 1.01 -0.26 -5.00 121.20 115.78 1a5o s ILE 34 Ca 0.68 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.88 1a5o s ILE 34 Cb -0.22 -0.58 0.02 0.00 0.01 0.00 0.00 42.46 41.69 1a5o s ILE 34 CO 0.45 0.13 -0.05 -1.58 0.00 0.00 0.00 174.94 173.89 1a5o s GLN 35 N -0.36 1.06 -0.09 2.79 0.74 -1.26 0.22 119.66 122.75 1a5o s GLN 35 Ca 0.02 -0.11 -0.03 0.00 0.05 0.00 0.00 55.36 55.29 1a5o s GLN 35 Cb -0.04 -1.16 -0.04 0.00 1.10 0.00 0.00 33.01 32.87 1a5o s GLN 35 CO -0.00 -0.20 0.05 0.08 -0.55 0.00 0.00 175.29 174.67 1a5o s VAL 36 N 1.46 4.68 0.58 1.34 1.01 0.46 -4.91 120.40 125.02 1a5o s VAL 36 Ca -0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 1a5o s VAL 36 Cb -0.13 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 1a5o s VAL 36 CO -0.04 0.59 0.89 -0.83 0.00 0.00 0.00 175.10 175.72 1a5o s GLY 37 N -0.98 1.59 0.33 4.51 0.00 -1.26 -0.89 107.32 110.62 1a5o s GLY 37 Ca 0.14 -0.63 0.02 0.00 0.00 0.00 0.00 44.72 44.26 1a5o s GLY 37 CO 0.03 -0.36 1.92 1.48 0.00 0.00 0.00 173.10 176.18 1a5o h SER 38 N -0.13 0.66 -0.50 1.64 4.64 -1.73 -3.15 113.55 114.99 1a5o h SER 38 Ca -0.46 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1a5o h SER 38 Cb 1.24 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1a5o h SER 38 CO 0.61 0.59 0.00 1.41 -0.87 0.00 0.00 176.83 178.57 1a5o n HIS 39 N -4.35 0.78 -2.67 4.77 8.25 -1.26 -3.03 115.22 117.71 1a5o n HIS 39 Ca 0.04 -0.54 -0.41 0.00 -0.26 0.00 0.00 57.72 56.55 1a5o n HIS 39 Cb 0.15 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 1a5o n HIS 39 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1a5o s TYR 40 N -1.23 3.80 -0.32 4.41 6.14 -1.19 -4.94 117.35 124.02 1a5o s TYR 40 Ca 0.36 1.78 -0.28 0.00 0.64 0.00 0.00 57.07 59.57 1a5o s TYR 40 Cb 0.20 -3.10 -0.03 0.00 0.42 0.00 0.00 41.96 39.45 1a5o s TYR 40 CO 0.22 0.04 1.97 -1.58 0.64 0.00 0.00 175.55 176.84 1a5o s HIS 41 N -0.50 1.55 0.22 4.97 5.65 -1.26 -4.39 115.29 121.53 1a5o s HIS 41 Ca 0.45 0.66 -0.08 0.00 0.25 0.00 0.00 55.06 56.34 1a5o s HIS 41 Cb -0.26 -4.03 0.30 0.00 -1.18 0.00 0.00 32.58 27.40 1a5o s HIS 41 CO 0.32 -3.27 1.80 0.35 -0.65 0.00 0.00 174.74 173.29 1a5o h PHE 42 N 14.05 0.68 0.00 3.88 3.57 -1.59 -2.27 116.94 135.26 1a5o h PHE 42 Ca -0.35 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1a5o h PHE 42 Cb 1.20 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1a5o h PHE 42 CO 0.96 0.29 0.03 0.00 -2.23 0.00 0.00 178.31 177.35 1a5o n ALA 43 N -2.38 1.13 -1.53 2.41 0.00 -1.24 -1.54 120.51 117.36 1a5o n ALA 43 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.61 1a5o n ALA 43 Cb 0.23 -0.88 0.13 0.00 0.00 0.00 0.00 19.45 18.93 1a5o n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a5o n GLU 44 N -1.15 1.04 -1.20 0.00 1.02 -0.85 -4.99 120.64 114.51 1a5o n GLU 44 Ca 0.00 -2.51 -0.30 0.00 -0.02 0.00 0.00 57.16 54.34 1a5o n GLU 44 Cb 0.03 -1.22 0.22 0.00 -0.02 0.00 0.00 31.44 30.44 1a5o n GLU 44 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1a5o s VAL 45 N -2.24 1.75 -0.03 2.62 -7.23 -0.59 -4.49 120.40 110.18 1a5o s VAL 45 Ca 0.29 0.00 -0.38 0.00 -1.81 0.00 0.00 61.98 60.08 1a5o s VAL 45 Cb 0.28 -2.55 -0.17 0.00 0.56 0.00 0.00 36.38 34.50 1a5o s VAL 45 CO -0.03 0.00 1.42 -3.20 -0.31 0.00 0.00 175.10 172.98 1a5o n ASN 46 N -4.50 1.62 0.30 4.85 2.85 -1.26 -4.82 115.26 114.31 1a5o n ASN 46 Ca 0.11 1.12 0.12 0.00 -0.11 0.00 0.00 54.58 55.81 1a5o n ASN 46 Cb 0.59 -1.14 0.62 0.00 1.24 0.00 0.00 39.78 41.09 1a5o n ASN 46 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1a5o h PRO 47 N 5.03 0.00 0.00 1.20 0.11 -2.00 -1.19 132.00 135.15 1a5o h PRO 47 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1a5o h PRO 47 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1a5o h PRO 47 CO 0.81 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.60 1a5o h ALA 48 N 1.11 1.00 -2.13 -0.75 0.00 -1.95 -3.42 119.26 113.11 1a5o h ALA 48 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1a5o h ALA 48 Cb 0.85 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 1a5o h ALA 48 CO 0.00 0.00 0.56 -0.51 0.00 0.00 0.00 179.25 179.30 1a5o s LEU 49 N -4.67 4.04 -0.17 0.00 1.43 -0.45 -0.65 118.68 118.20 1a5o s LEU 49 Ca 0.07 0.78 -0.15 0.00 -1.03 0.00 0.00 54.13 53.80 1a5o s LEU 49 Cb 0.10 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 1a5o s LEU 49 CO 0.51 -0.72 0.34 -0.75 0.23 0.00 0.00 176.35 175.96 1a5o s LYS 50 N 3.22 4.23 0.03 1.70 2.20 0.19 -4.91 119.74 126.39 1a5o s LYS 50 Ca 0.37 0.15 -0.28 0.00 -0.36 0.00 0.00 55.97 55.85 1a5o s LYS 50 Cb -0.13 -3.47 0.10 0.00 -1.51 0.00 0.00 37.83 32.82 1a5o s LYS 50 CO 0.14 0.12 1.22 -0.59 -0.36 0.00 0.00 175.35 175.89 1a5o s PHE 51 N 0.81 -0.01 -1.03 4.03 -0.71 -1.26 -1.86 117.98 117.94 1a5o s PHE 51 Ca 0.18 -0.15 -0.23 0.00 -1.04 0.00 0.00 56.93 55.69 1a5o s PHE 51 Cb -0.14 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.25 1a5o s PHE 51 CO 0.06 -0.41 1.73 0.34 -1.34 0.00 0.00 175.22 175.60 1a5o s ASP 52 N -3.28 5.87 0.44 1.98 2.15 -1.26 -4.81 116.67 117.77 1a5o s ASP 52 Ca 0.19 -1.33 0.14 0.00 0.43 0.00 0.00 52.55 51.99 1a5o s ASP 52 Cb 0.02 -2.57 1.05 0.00 -0.30 0.00 0.00 42.92 41.12 1a5o s ASP 52 CO -0.01 -2.11 2.00 0.03 -0.17 0.00 0.00 175.17 174.90 1a5o h ARG 53 N 10.04 0.36 -0.91 4.34 2.47 -1.97 -2.37 114.38 126.35 1a5o h ARG 53 Ca 0.20 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.90 1a5o h ARG 53 Cb 0.98 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 29.17 1a5o h ARG 53 CO 1.33 0.24 0.59 0.37 0.56 0.00 0.00 179.97 183.06 1a5o h GLN 54 N 0.38 1.20 -0.10 0.04 4.15 -1.96 -2.78 115.11 116.04 1a5o h GLN 54 Ca 0.25 -0.08 -0.19 0.00 0.77 0.00 0.00 58.65 59.40 1a5o h GLN 54 Cb 0.49 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 1a5o h GLN 54 CO -0.06 0.80 -0.73 0.37 -1.93 0.00 0.00 178.83 177.28 1a5o h GLN 55 N 1.23 0.51 0.00 1.69 5.75 -1.84 -3.18 115.11 119.27 1a5o h GLN 55 Ca 0.33 -0.41 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1a5o h GLN 55 Cb -0.13 0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.51 1a5o h GLN 55 CO -0.07 1.04 0.00 0.00 -2.65 0.00 0.00 178.83 177.15 1a5o n ALA 56 N -2.53 2.42 -1.80 3.38 0.00 -1.05 -4.84 120.51 116.07 1a5o n ALA 56 Ca -0.05 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 1a5o n ALA 56 Cb 0.71 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 1a5o n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5o s ALA 57 N -2.00 2.92 0.00 0.00 0.00 -1.18 -1.81 121.76 119.69 1a5o s ALA 57 Ca 0.17 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1a5o s ALA 57 Cb 0.08 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1a5o s ALA 57 CO 0.13 -2.52 0.00 0.41 0.00 0.00 0.00 175.76 173.77 1a5o n GLY 58 N 5.41 0.73 3.81 0.00 0.00 -1.26 -5.02 105.19 108.86 1a5o n GLY 58 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 1a5o n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a5o s TYR 59 N -2.25 2.85 0.15 1.61 1.51 -0.75 -0.60 117.35 119.87 1a5o s TYR 59 Ca 0.00 -0.32 -0.06 0.00 -1.01 0.00 0.00 57.07 55.68 1a5o s TYR 59 Cb 0.00 -1.73 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 1a5o s TYR 59 CO 0.00 0.25 0.20 -0.98 -1.11 0.00 0.00 175.55 173.91 1a5o s ARG 60 N -3.94 1.07 0.20 -0.62 1.70 -0.19 -1.80 118.95 115.37 1a5o s ARG 60 Ca 0.40 -1.27 -0.31 0.00 -0.47 0.00 0.00 55.73 54.08 1a5o s ARG 60 Cb -0.05 0.33 -0.10 0.00 -0.57 0.00 0.00 34.95 34.56 1a5o s ARG 60 CO 0.25 -0.36 1.51 -0.51 -1.08 0.00 0.00 175.30 175.11 1a5o s LEU 61 N -3.00 4.37 -1.42 -1.89 1.43 -1.17 -0.26 118.68 116.74 1a5o s LEU 61 Ca 0.20 2.64 -0.11 0.00 -1.03 0.00 0.00 54.13 55.83 1a5o s LEU 61 Cb 0.05 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.72 1a5o s LEU 61 CO 0.01 -0.77 2.26 -3.20 0.23 0.00 0.00 176.35 174.87 1a5o n ASN 62 N 3.22 5.35 -4.27 2.29 2.85 -0.25 -4.70 115.26 119.75 1a5o n ASN 62 Ca 0.11 -2.90 -0.15 0.00 -0.11 0.00 0.00 54.58 51.52 1a5o n ASN 62 Cb 0.39 -1.57 -0.10 0.00 1.24 0.00 0.00 39.78 39.75 1a5o n ASN 62 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1a5o s ILE 63 N 1.85 1.31 0.27 -1.44 -4.36 -1.26 -4.94 121.20 112.63 1a5o s ILE 63 Ca 0.49 -2.09 -0.30 0.00 -0.26 0.00 0.00 60.65 58.49 1a5o s ILE 63 Cb 0.14 -1.89 -0.13 0.00 1.25 0.00 0.00 42.46 41.83 1a5o s ILE 63 CO -0.06 -0.70 1.43 -0.81 0.24 0.00 0.00 174.94 175.04 1a5o n PRO 64 N -0.22 2.21 -1.55 0.37 -0.04 -1.26 -4.83 135.00 129.68 1a5o n PRO 64 Ca -0.10 0.78 -0.51 0.00 -0.04 0.00 0.00 63.50 63.63 1a5o n PRO 64 Cb 0.60 -2.46 -0.05 0.00 -0.04 0.00 0.00 33.50 31.56 1a5o n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a5o n ALA 65 N 1.64 -1.55 0.00 0.55 0.00 -1.26 -2.06 120.51 117.83 1a5o n ALA 65 Ca 0.09 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1a5o n ALA 65 Cb 0.34 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1a5o n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5o n GLY 66 N 2.01 3.02 3.87 0.00 0.00 -1.26 -5.04 105.19 107.78 1a5o n GLY 66 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1a5o n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a5o s THR 67 N -2.19 1.95 0.12 2.61 -4.23 -0.87 -4.80 115.64 108.22 1a5o s THR 67 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.46 1a5o s THR 67 Cb 0.00 -2.91 -0.02 0.00 1.34 0.00 0.00 72.50 70.91 1a5o s THR 67 CO 0.00 0.00 0.14 0.00 -0.54 0.00 0.00 174.62 174.22 1a5o s ALA 68 N -3.66 0.29 -0.10 3.99 0.00 -1.26 -2.09 121.76 118.93 1a5o s ALA 68 Ca 0.70 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1a5o s ALA 68 Cb -0.07 0.67 -0.00 0.00 0.00 0.00 0.00 23.12 23.72 1a5o s ALA 68 CO 0.53 -0.52 -0.23 0.08 0.00 0.00 0.00 175.76 175.62 1a5o s VAL 69 N -3.96 2.19 0.05 0.00 1.01 -0.07 -4.94 120.40 114.68 1a5o s VAL 69 Ca 0.15 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1a5o s VAL 69 Cb 0.06 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1a5o s VAL 69 CO -0.04 0.56 0.18 -0.60 0.00 0.00 0.00 175.10 175.20 1a5o s ARG 70 N 0.30 3.34 -0.23 2.72 3.52 -1.26 -0.41 118.95 126.93 1a5o s ARG 70 Ca -0.17 -0.46 -0.02 0.00 -0.13 0.00 0.00 55.73 54.96 1a5o s ARG 70 Cb -0.17 -3.00 0.07 0.00 -1.56 0.00 0.00 34.95 30.29 1a5o s ARG 70 CO 0.08 0.62 0.04 -0.06 -0.81 0.00 0.00 175.30 175.17 1a5o s PHE 71 N -1.45 1.33 0.70 5.12 0.40 0.13 -4.98 117.98 119.24 1a5o s PHE 71 Ca 0.32 -1.17 -0.12 0.00 -0.60 0.00 0.00 56.93 55.36 1a5o s PHE 71 Cb -0.13 -1.25 0.01 0.00 0.51 0.00 0.00 43.02 42.17 1a5o s PHE 71 CO 0.25 -0.70 1.07 -1.21 0.70 0.00 0.00 175.22 175.33 1a5o s GLU 72 N 1.75 2.78 0.21 0.44 0.41 -1.26 -1.10 118.70 121.93 1a5o s GLU 72 Ca 0.01 1.10 -0.32 0.00 -0.41 0.00 0.00 54.97 55.35 1a5o s GLU 72 Cb -0.17 -1.96 -0.13 0.00 -1.78 0.00 0.00 34.13 30.08 1a5o s GLU 72 CO -0.13 -1.23 1.58 -2.30 -0.49 0.00 0.00 175.26 172.69 1a5o n PRO 73 N -3.01 2.37 -0.54 0.39 -0.02 -1.26 -1.15 135.00 131.78 1a5o n PRO 73 Ca 0.08 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1a5o n PRO 73 Cb 0.53 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1a5o n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a5o n GLY 74 N 3.01 1.51 3.77 -1.23 0.00 -0.71 -5.02 105.19 106.53 1a5o n GLY 74 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1a5o n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a5o s GLN 75 N -0.15 3.83 -0.03 1.61 0.74 -0.30 -4.73 119.66 120.63 1a5o s GLN 75 Ca 0.00 1.71 0.01 0.00 0.05 0.00 0.00 55.36 57.12 1a5o s GLN 75 Cb 0.00 -2.42 0.03 0.00 1.10 0.00 0.00 33.01 31.72 1a5o s GLN 75 CO 0.00 -0.47 -0.00 0.21 -0.55 0.00 0.00 175.29 174.47 1a5o s LYS 76 N -2.69 0.35 0.18 1.67 2.20 -1.26 0.03 119.74 120.22 1a5o s LYS 76 Ca 0.63 0.05 -0.22 0.00 -0.36 0.00 0.00 55.97 56.07 1a5o s LYS 76 Cb -0.27 -0.50 0.06 0.00 -1.51 0.00 0.00 37.83 35.61 1a5o s LYS 76 CO 0.33 -0.12 0.61 -0.98 -0.36 0.00 0.00 175.35 174.82 1a5o s ARG 77 N 0.95 1.37 -0.21 4.03 1.70 0.06 -4.98 118.95 121.86 1a5o s ARG 77 Ca -0.10 -0.60 -0.09 0.00 -0.47 0.00 0.00 55.73 54.48 1a5o s ARG 77 Cb -0.13 0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 1a5o s ARG 77 CO -0.01 -0.60 0.11 -2.00 -1.08 0.00 0.00 175.30 171.72 1a5o s GLU 78 N -3.79 4.02 0.25 3.89 2.12 -1.26 -0.14 118.70 123.79 1a5o s GLU 78 Ca 0.03 -0.31 0.11 0.00 0.36 0.00 0.00 54.97 55.17 1a5o s GLU 78 Cb -0.02 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 1a5o s GLU 78 CO -0.09 0.16 -0.19 0.14 -0.54 0.00 0.00 175.26 174.74 1a5o s VAL 79 N 0.73 2.58 -0.17 3.70 -7.23 0.45 -4.92 120.40 115.54 1a5o s VAL 79 Ca 0.06 -2.20 -0.04 0.00 -1.81 0.00 0.00 61.98 57.99 1a5o s VAL 79 Cb -0.13 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 1a5o s VAL 79 CO 0.02 -0.29 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.79 1a5o s GLU 80 N -3.22 3.66 0.20 4.82 2.12 -1.26 -0.87 118.70 124.15 1a5o s GLU 80 Ca 0.27 -0.52 0.06 0.00 0.36 0.00 0.00 54.97 55.14 1a5o s GLU 80 Cb -0.06 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.33 1a5o s GLU 80 CO 0.14 0.18 0.18 -0.51 -0.54 0.00 0.00 175.26 174.71 1a5o s LEU 81 N 0.53 3.87 -0.01 2.70 1.02 0.12 -1.09 118.68 125.82 1a5o s LEU 81 Ca -0.02 -0.14 0.02 0.00 0.02 0.00 0.00 54.13 54.01 1a5o s LEU 81 Cb -0.14 -2.44 -0.00 0.00 0.02 0.00 0.00 46.19 43.62 1a5o s LEU 81 CO 0.02 0.02 -0.07 0.54 0.02 0.00 0.00 176.35 176.89 1a5o s VAL 82 N -1.89 0.59 0.31 -1.59 0.11 0.63 -1.94 120.40 116.61 1a5o s VAL 82 Ca 0.32 -0.31 -0.29 0.00 -2.93 0.00 0.00 61.98 58.77 1a5o s VAL 82 Cb -0.09 -0.50 -0.10 0.00 -1.53 0.00 0.00 36.38 34.16 1a5o s VAL 82 CO 0.24 0.17 1.28 0.00 -3.33 0.00 0.00 175.10 173.46 1a5o s ALA 83 N -0.14 3.49 0.74 1.54 0.00 -0.12 -1.02 121.76 126.24 1a5o s ALA 83 Ca 0.02 1.19 -0.14 0.00 0.00 0.00 0.00 51.96 53.03 1a5o s ALA 83 Cb -0.03 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.68 1a5o s ALA 83 CO -0.00 -0.56 1.17 -0.06 0.00 0.00 0.00 175.76 176.31 1a5o s PHE 84 N -1.02 2.18 0.00 0.00 0.08 0.23 -4.89 117.98 114.56 1a5o s PHE 84 Ca 0.49 1.61 0.00 0.00 0.12 0.00 0.00 56.93 59.15 1a5o s PHE 84 Cb -0.38 -3.35 0.00 0.00 -0.57 0.00 0.00 43.02 38.71 1a5o s PHE 84 CO 0.50 -2.35 0.00 0.00 -0.10 0.00 0.00 175.22 173.26 1a5o n ALA 85 N -2.87 0.00 -0.98 5.36 0.00 -1.26 -4.82 120.51 115.94 1a5o n ALA 85 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1a5o n ALA 85 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1a5o n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5o n GLY 86 N 3.55 3.92 0.13 0.00 0.00 -1.26 -0.53 105.19 111.00 1a5o n GLY 86 Ca 0.00 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1a5o n GLY 86 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a5o n HIS 87 N 14.00 0.00 -3.60 1.61 8.25 -1.26 -4.95 115.22 129.28 1a5o n HIS 87 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1a5o n HIS 87 Cb 0.00 -0.19 0.05 0.00 1.12 0.00 0.00 29.99 30.97 1a5o n HIS 87 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1a5o n ARG 88 N -1.06 -4.13 -4.22 -0.41 1.74 0.31 -4.77 116.66 104.12 1a5o n ARG 88 Ca 0.09 0.66 -0.29 0.00 -0.77 0.00 0.00 57.85 57.54 1a5o n ARG 88 Cb 0.34 -5.20 -0.17 0.00 -1.02 0.00 0.00 32.46 26.42 1a5o n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a5o s ALA 89 N -3.56 1.76 -0.24 7.54 0.00 -1.26 -0.86 121.76 125.14 1a5o s ALA 89 Ca 0.14 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 1a5o s ALA 89 Cb -0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 1a5o s ALA 89 CO 0.80 -0.24 0.14 0.08 0.00 0.00 0.00 175.76 176.54 1a5o s VAL 90 N 1.27 5.20 -0.06 0.00 1.01 0.40 -4.90 120.40 123.31 1a5o s VAL 90 Ca -0.00 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 1a5o s VAL 90 Cb -0.14 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.84 1a5o s VAL 90 CO -0.06 0.35 -0.03 -0.36 0.00 0.00 0.00 175.10 175.00 1a5o s PHE 91 N 1.10 0.78 0.00 5.22 0.08 -1.26 -0.15 117.98 123.74 1a5o s PHE 91 Ca 0.07 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.88 1a5o s PHE 91 Cb -0.14 -0.78 0.00 0.00 -0.57 0.00 0.00 43.02 41.53 1a5o s PHE 91 CO 0.05 -0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.29 1a5o n GLY 92 N 4.65 0.22 7.00 4.36 0.00 -1.26 -5.01 105.19 115.15 1a5o n GLY 92 Ca -0.15 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1a5o n GLY 92 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a5o n PHE 93 N 0.00 0.00 1.23 1.61 3.72 -1.26 -0.39 117.46 122.37 1a5o n PHE 93 Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 1a5o n PHE 93 Cb 0.00 0.00 0.36 0.00 -0.94 0.00 0.00 39.48 38.90 1a5o n PHE 93 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1a5o n ARG 94 N 13.99 1.71 -3.28 -1.08 1.74 -1.26 -4.95 116.66 123.53 1a5o n ARG 94 Ca 0.00 -1.07 -0.17 0.00 -0.77 0.00 0.00 57.85 55.84 1a5o n ARG 94 Cb 0.00 -1.38 0.06 0.00 -1.02 0.00 0.00 32.46 30.12 1a5o n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5o n GLY 95 N 1.11 -0.17 0.07 -0.13 0.00 0.47 -4.95 105.19 101.59 1a5o n GLY 95 Ca 0.16 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1a5o n GLY 95 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a5o n GLU 96 N -3.79 0.46 0.02 1.61 1.02 -1.26 -4.65 120.64 114.05 1a5o n GLU 96 Ca -0.03 0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.13 1a5o n GLU 96 Cb 0.56 -1.70 -0.01 0.00 -0.02 0.00 0.00 31.44 30.27 1a5o n GLU 96 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1a5o n VAL 97 N -2.32 1.02 -3.84 2.62 3.14 -1.26 -5.05 118.33 112.64 1a5o n VAL 97 Ca 0.01 0.27 -0.29 0.00 -2.96 0.00 0.00 64.34 61.37 1a5o n VAL 97 Cb 0.50 -1.66 0.01 0.00 -1.06 0.00 0.00 33.84 31.63 1a5o n VAL 97 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1a5o n MET 98 N -3.52 -2.22 -3.81 1.45 2.81 -0.79 -4.87 117.12 106.17 1a5o n MET 98 Ca -0.03 0.41 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 1a5o n MET 98 Cb 0.18 -4.22 0.00 0.00 -0.71 0.00 0.00 33.22 28.47 1a5o n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a5o n GLY 99 N -1.85 -1.60 3.76 3.03 0.00 0.79 -4.94 105.19 104.37 1a5o n GLY 99 Ca -0.20 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 1a5o n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5o s PRO 100 N -1.70 3.20 0.00 1.61 0.04 -1.26 -0.46 135.00 136.44 1a5o s PRO 100 Ca 0.00 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1a5o s PRO 100 Cb 0.00 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1a5o s PRO 100 CO 0.00 -1.01 0.00 -0.11 0.04 0.00 0.00 177.00 175.92