#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwg s ILE 2 N 0.00 1.21 0.12 1.12 1.01 -1.26 -5.11 121.20 118.30 1fwg s ILE 2 Ca 0.00 -0.59 -0.35 0.00 0.00 0.00 0.00 60.65 59.71 1fwg s ILE 2 Cb 0.00 -1.30 -0.16 0.00 0.01 0.00 0.00 42.46 41.01 1fwg s ILE 2 CO 0.00 0.24 1.37 -2.65 0.00 0.00 0.00 174.94 173.90 1fwg n PRO 3 N 4.86 1.43 -1.93 2.79 -0.02 -1.26 -2.25 135.00 138.62 1fwg n PRO 3 Ca -0.13 0.51 -0.20 0.00 -2.02 0.00 0.00 63.50 61.67 1fwg n PRO 3 Cb 0.48 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 1fwg n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fwg n GLY 4 N 2.64 0.88 3.76 -1.23 0.00 -1.26 -4.96 105.19 105.02 1fwg n GLY 4 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1fwg n GLY 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fwg s GLU 5 N -4.26 2.81 0.32 1.61 -1.05 -0.95 -5.03 118.70 112.14 1fwg s GLU 5 Ca 0.00 1.49 0.01 0.00 -0.15 0.00 0.00 54.97 56.31 1fwg s GLU 5 Cb 0.00 -1.94 -0.03 0.00 -0.44 0.00 0.00 34.13 31.71 1fwg s GLU 5 CO 0.00 -1.26 0.51 0.71 0.95 0.00 0.00 175.26 176.17 1fwg s TYR 6 N -2.18 3.49 -0.48 4.83 4.12 -1.26 -5.04 117.35 120.83 1fwg s TYR 6 Ca 0.69 0.31 0.05 0.00 0.02 0.00 0.00 57.07 58.14 1fwg s TYR 6 Cb -0.22 -1.86 0.19 0.00 -1.52 0.00 0.00 41.96 38.54 1fwg s TYR 6 CO 0.39 0.19 0.42 1.58 0.02 0.00 0.00 175.55 178.15 1fwg n HIS 7 N -1.59 0.19 -2.50 2.71 -0.00 -1.26 -5.10 115.22 107.68 1fwg n HIS 7 Ca -0.05 -3.58 -0.42 0.00 -0.00 0.00 0.00 57.72 53.67 1fwg n HIS 7 Cb 0.56 -0.04 -0.03 0.00 -0.00 0.00 0.00 29.99 30.48 1fwg n HIS 7 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1fwg s VAL 8 N -0.57 4.27 0.27 3.57 1.01 -1.26 -5.02 120.40 122.68 1fwg s VAL 8 Ca 0.32 1.63 -0.29 0.00 0.00 0.00 0.00 61.98 63.64 1fwg s VAL 8 Cb 0.05 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 1fwg s VAL 8 CO -0.17 0.11 1.00 -1.59 0.00 0.00 0.00 175.10 174.44 1fwg s LYS 9 N 1.20 4.71 0.66 2.72 -2.85 -1.26 -5.01 119.74 119.92 1fwg s LYS 9 Ca 0.57 1.56 -0.17 0.00 -1.00 0.00 0.00 55.97 56.93 1fwg s LYS 9 Cb -0.27 -3.13 0.00 0.00 -2.06 0.00 0.00 37.83 32.37 1fwg s LYS 9 CO 0.28 0.35 1.22 -1.25 0.10 0.00 0.00 175.35 176.05 1fwg s PRO 10 N -1.47 2.53 0.00 1.78 0.04 -1.26 -4.93 135.00 131.69 1fwg s PRO 10 Ca 0.44 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1fwg s PRO 10 Cb -0.26 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1fwg s PRO 10 CO 0.33 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 176.23 1fwg n GLY 11 N 0.50 0.91 3.12 0.56 0.00 -1.26 -5.13 105.19 103.89 1fwg n GLY 11 Ca 0.14 -1.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 1fwg n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fwg s GLN 12 N -2.00 0.67 -0.10 1.61 -0.21 -1.26 -5.15 119.66 113.21 1fwg s GLN 12 Ca 0.00 -1.15 0.02 0.00 0.02 0.00 0.00 55.36 54.25 1fwg s GLN 12 Cb 0.00 0.24 -0.01 0.00 1.00 0.00 0.00 33.01 34.24 1fwg s GLN 12 CO 0.00 -0.15 -0.16 0.42 -2.12 0.00 0.00 175.29 173.28 1fwg s ILE 13 N -3.89 2.79 -0.18 1.08 -1.09 -1.26 -5.10 121.20 113.54 1fwg s ILE 13 Ca 0.06 -0.77 -0.19 0.00 -2.23 0.00 0.00 60.65 57.52 1fwg s ILE 13 Cb 0.07 -2.13 -0.03 0.00 -1.58 0.00 0.00 42.46 38.79 1fwg s ILE 13 CO -0.10 0.55 0.54 0.00 -1.23 0.00 0.00 174.94 174.69 1fwg s ALA 14 N 0.09 3.53 0.04 9.38 0.00 -1.26 -5.06 121.76 128.48 1fwg s ALA 14 Ca -0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 1fwg s ALA 14 Cb -0.15 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 1fwg s ALA 14 CO 0.05 -0.39 0.21 -0.51 0.00 0.00 0.00 175.76 175.13 1fwg s LEU 15 N 1.51 4.36 -1.46 0.00 1.43 -1.26 -4.60 118.68 118.66 1fwg s LEU 15 Ca 0.26 0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1fwg s LEU 15 Cb -0.16 -2.86 0.01 0.00 0.03 0.00 0.00 46.19 43.22 1fwg s LEU 15 CO 0.10 0.20 0.33 0.59 0.23 0.00 0.00 176.35 177.80 1fwg n ASN 16 N 0.52 -0.14 -4.78 2.29 5.03 -1.26 -4.91 115.26 112.01 1fwg n ASN 16 Ca -0.07 -1.08 -0.36 0.00 0.87 0.00 0.00 54.58 53.94 1fwg n ASN 16 Cb 0.52 -2.65 -0.02 0.00 -1.02 0.00 0.00 39.78 36.60 1fwg n ASN 16 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1fwg s THR 17 N -4.03 3.47 -0.55 3.41 -4.23 -1.26 -3.72 115.64 108.73 1fwg s THR 17 Ca 0.05 1.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.58 1fwg s THR 17 Cb -0.03 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1fwg s THR 17 CO 0.92 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 175.52 1fwg n GLY 18 N 0.18 0.48 3.20 3.99 0.00 -1.26 -5.04 105.19 106.73 1fwg n GLY 18 Ca 0.08 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 1fwg n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fwg s ARG 19 N -3.39 1.07 0.36 1.61 0.52 -1.24 -5.12 118.95 112.75 1fwg s ARG 19 Ca 0.00 -0.89 -0.28 0.00 -0.52 0.00 0.00 55.73 54.03 1fwg s ARG 19 Cb 0.00 -1.14 -0.11 0.00 0.52 0.00 0.00 34.95 34.22 1fwg s ARG 19 CO 0.00 0.28 1.52 0.00 0.02 0.00 0.00 175.30 177.12 1fwg s ALA 20 N -0.94 3.62 0.09 2.13 0.00 -1.26 -4.87 121.76 120.53 1fwg s ALA 20 Ca 0.03 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1fwg s ALA 20 Cb -0.09 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1fwg s ALA 20 CO 0.02 -1.05 -0.03 0.95 0.00 0.00 0.00 175.76 175.65 1fwg s THR 21 N -0.86 0.43 -0.09 0.00 -4.23 -1.26 -1.22 115.64 108.40 1fwg s THR 21 Ca 0.55 -1.89 -0.28 0.00 -1.18 0.00 0.00 61.69 58.89 1fwg s THR 21 Cb -0.47 -1.72 0.07 0.00 1.34 0.00 0.00 72.50 71.72 1fwg s THR 21 CO 0.60 -0.82 0.66 0.00 -0.54 0.00 0.00 174.62 174.52 1fwg s ARG 23 N -0.85 3.41 -0.05 0.00 0.52 -1.26 0.10 118.95 120.82 1fwg s ARG 23 Ca -0.09 -0.27 -0.03 0.00 -0.52 0.00 0.00 55.73 54.82 1fwg s ARG 23 Cb -0.01 -3.11 0.02 0.00 0.52 0.00 0.00 34.95 32.37 1fwg s ARG 23 CO 0.08 0.71 0.12 0.08 0.02 0.00 0.00 175.30 176.31 1fwg s VAL 24 N -1.21 -0.02 -0.15 3.52 1.01 -0.44 -4.99 120.40 118.13 1fwg s VAL 24 Ca 0.23 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 1fwg s VAL 24 Cb -0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1fwg s VAL 24 CO 0.13 0.03 0.63 -0.69 0.00 0.00 0.00 175.10 175.21 1fwg s VAL 25 N 0.51 5.05 0.02 2.92 1.01 -1.26 -0.67 120.40 127.99 1fwg s VAL 25 Ca -0.04 1.24 0.07 0.00 0.00 0.00 0.00 61.98 63.26 1fwg s VAL 25 Cb -0.05 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1fwg s VAL 25 CO -0.02 0.18 -0.22 -0.69 0.00 0.00 0.00 175.10 174.35 1fwg s VAL 26 N 1.39 1.75 -0.05 2.92 1.01 0.61 -4.64 120.40 123.38 1fwg s VAL 26 Ca 0.31 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1fwg s VAL 26 Cb -0.16 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.75 1fwg s VAL 26 CO 0.13 0.33 -0.04 -0.70 0.00 0.00 0.00 175.10 174.82 1fwg s GLU 27 N -0.94 0.80 -0.49 2.72 2.12 -0.82 -0.63 118.70 121.45 1fwg s GLU 27 Ca 0.08 -0.06 -0.28 0.00 0.36 0.00 0.00 54.97 55.07 1fwg s GLU 27 Cb -0.09 -0.88 0.03 0.00 0.26 0.00 0.00 34.13 33.45 1fwg s GLU 27 CO 0.01 -0.13 1.08 1.21 -0.54 0.00 0.00 175.26 176.89 1fwg s ASN 28 N 1.15 6.55 0.00 -1.70 2.47 0.54 -0.35 114.94 123.61 1fwg s ASN 28 Ca -0.07 0.28 0.26 0.00 0.42 0.00 0.00 52.86 53.75 1fwg s ASN 28 Cb -0.14 -2.52 0.69 0.00 -1.45 0.00 0.00 41.25 37.83 1fwg s ASN 28 CO -0.01 -1.24 1.53 1.41 -3.72 0.00 0.00 177.10 175.07 1fwg n HIS 29 N 7.75 0.00 -2.11 0.43 8.25 0.16 -0.71 115.22 128.99 1fwg n HIS 29 Ca 0.09 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.29 1fwg n HIS 29 Cb 0.49 -0.04 0.08 0.00 1.12 0.00 0.00 29.99 31.64 1fwg n HIS 29 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1fwg s GLY 30 N -2.20 1.66 0.00 -1.41 0.00 -1.25 -4.88 107.32 99.24 1fwg s GLY 30 Ca 0.30 -0.85 0.22 0.00 0.00 0.00 0.00 44.72 44.39 1fwg s GLY 30 CO 0.41 -0.42 1.44 2.09 0.00 0.00 0.00 173.10 176.62 1fwg n ASP 31 N -3.04 3.02 -4.17 1.64 5.75 -1.26 -3.96 116.55 114.52 1fwg n ASP 31 Ca 0.08 -1.93 -0.20 0.00 -0.01 0.00 0.00 54.79 52.73 1fwg n ASP 31 Cb 0.61 -0.23 -0.13 0.00 -1.03 0.00 0.00 41.12 40.34 1fwg n ASP 31 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1fwg s ARG 32 N -1.53 0.93 0.56 0.11 0.52 -1.26 -4.81 118.95 113.46 1fwg s ARG 32 Ca 0.37 -0.89 -0.20 0.00 -0.52 0.00 0.00 55.73 54.49 1fwg s ARG 32 Cb 0.21 -0.97 -0.04 0.00 0.52 0.00 0.00 34.95 34.67 1fwg s ARG 32 CO 0.30 0.23 1.25 -1.25 0.02 0.00 0.00 175.30 175.85 1fwg s PRO 33 N -1.47 3.12 -0.06 3.54 0.04 -1.26 -4.42 135.00 134.49 1fwg s PRO 33 Ca 0.01 1.96 0.01 0.00 0.04 0.00 0.00 61.00 63.02 1fwg s PRO 33 Cb -0.09 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.37 1fwg s PRO 33 CO 0.02 -1.12 -0.08 0.42 0.04 0.00 0.00 177.00 176.28 1fwg s ILE 34 N -1.48 0.84 -0.13 0.56 1.01 -0.14 -4.99 121.20 116.87 1fwg s ILE 34 Ca 0.74 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 61.11 1fwg s ILE 34 Cb -0.34 -0.81 0.02 0.00 0.01 0.00 0.00 42.46 41.34 1fwg s ILE 34 CO 0.38 0.29 -0.18 -1.58 0.00 0.00 0.00 174.94 173.86 1fwg s GLN 35 N 0.85 2.56 -0.13 2.79 0.74 -1.26 0.17 119.66 125.39 1fwg s GLN 35 Ca -0.12 -0.68 -0.03 0.00 0.05 0.00 0.00 55.36 54.58 1fwg s GLN 35 Cb -0.15 -2.17 -0.03 0.00 1.10 0.00 0.00 33.01 31.76 1fwg s GLN 35 CO 0.01 -0.10 -0.01 0.08 -0.55 0.00 0.00 175.29 174.73 1fwg s VAL 36 N 1.06 4.16 0.56 1.34 1.01 0.02 -4.94 120.40 123.61 1fwg s VAL 36 Ca -0.03 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 1fwg s VAL 36 Cb -0.14 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 1fwg s VAL 36 CO -0.05 0.53 0.95 -0.83 0.00 0.00 0.00 175.10 175.71 1fwg s GLY 37 N -0.14 1.69 0.42 4.51 0.00 -1.26 -1.61 107.32 110.93 1fwg s GLY 37 Ca 0.04 -0.16 0.17 0.00 0.00 0.00 0.00 44.72 44.76 1fwg s GLY 37 CO 0.02 0.08 1.89 1.48 0.00 0.00 0.00 173.10 176.57 1fwg h SER 38 N 0.08 0.40 -0.42 1.64 4.64 -1.68 -2.91 113.55 115.30 1fwg h SER 38 Ca -0.45 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1fwg h SER 38 Cb 1.19 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1fwg h SER 38 CO 0.62 0.19 0.00 1.41 -0.87 0.00 0.00 176.83 178.18 1fwg n HIS 39 N -4.49 0.56 -2.52 4.77 8.25 -1.26 -3.15 115.22 117.38 1fwg n HIS 39 Ca 0.17 -0.49 -0.40 0.00 -0.26 0.00 0.00 57.72 56.73 1fwg n HIS 39 Cb 0.61 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.65 1fwg n HIS 39 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1fwg s TYR 40 N -1.00 3.61 -0.53 4.41 5.04 -1.10 -4.92 117.35 122.86 1fwg s TYR 40 Ca 0.28 1.73 -0.27 0.00 -2.44 0.00 0.00 57.07 56.37 1fwg s TYR 40 Cb 0.15 -3.22 -0.03 0.00 0.35 0.00 0.00 41.96 39.20 1fwg s TYR 40 CO 0.19 -0.41 1.95 -1.58 -1.34 0.00 0.00 175.55 174.36 1fwg s HIS 41 N -1.21 1.58 0.42 4.97 5.65 -1.26 -4.44 115.29 120.99 1fwg s HIS 41 Ca 0.45 0.89 0.18 0.00 0.25 0.00 0.00 55.06 56.84 1fwg s HIS 41 Cb -0.30 -4.00 1.10 0.00 -1.18 0.00 0.00 32.58 28.19 1fwg s HIS 41 CO 0.39 -2.49 1.84 0.35 -0.65 0.00 0.00 174.74 174.17 1fwg h PHE 42 N 15.39 0.55 0.00 3.88 3.57 -1.47 -0.28 116.94 138.58 1fwg h PHE 42 Ca -0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1fwg h PHE 42 Cb 1.18 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1fwg h PHE 42 CO 1.01 0.12 0.00 0.00 -2.23 0.00 0.00 178.31 177.22 1fwg n ALA 43 N -2.52 1.29 -1.13 2.41 0.00 -1.25 -2.55 120.51 116.77 1fwg n ALA 43 Ca 0.21 0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.87 1fwg n ALA 43 Cb 0.75 -1.34 0.20 0.00 0.00 0.00 0.00 19.45 19.06 1fwg n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1fwg n GLU 44 N -2.23 2.05 -1.22 0.00 1.02 -0.12 -4.96 120.64 115.19 1fwg n GLU 44 Ca 0.00 -2.82 -0.30 0.00 -0.02 0.00 0.00 57.16 54.02 1fwg n GLU 44 Cb 0.11 -1.69 0.21 0.00 -0.02 0.00 0.00 31.44 30.05 1fwg n GLU 44 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1fwg s VAL 45 N -2.93 1.76 -0.03 2.62 -7.23 -1.06 -4.44 120.40 109.10 1fwg s VAL 45 Ca 0.38 0.00 -0.39 0.00 -1.81 0.00 0.00 61.98 60.16 1fwg s VAL 45 Cb 0.33 -2.56 -0.18 0.00 0.56 0.00 0.00 36.38 34.53 1fwg s VAL 45 CO 0.04 0.00 1.32 -3.20 -0.31 0.00 0.00 175.10 172.95 1fwg n ASN 46 N -4.46 1.16 0.32 4.85 2.85 -1.26 -4.82 115.26 113.90 1fwg n ASN 46 Ca 0.11 1.13 0.18 0.00 -0.11 0.00 0.00 54.58 55.89 1fwg n ASN 46 Cb 0.59 -1.07 0.97 0.00 1.24 0.00 0.00 39.78 41.50 1fwg n ASN 46 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1fwg h PRO 47 N 4.39 0.00 0.00 1.20 0.11 -1.99 -1.92 132.00 133.79 1fwg h PRO 47 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1fwg h PRO 47 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1fwg h PRO 47 CO 0.77 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 1fwg h ALA 48 N 1.64 1.00 -2.07 -0.75 0.00 -1.96 -3.41 119.26 113.71 1fwg h ALA 48 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1fwg h ALA 48 Cb 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1fwg h ALA 48 CO 0.00 0.00 0.64 -0.51 0.00 0.00 0.00 179.25 179.38 1fwg s LEU 49 N -6.04 4.00 -0.24 0.00 1.43 -0.72 -0.66 118.68 116.45 1fwg s LEU 49 Ca 0.02 0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 53.81 1fwg s LEU 49 Cb 0.09 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1fwg s LEU 49 CO 0.54 -0.78 0.38 -0.75 0.23 0.00 0.00 176.35 175.97 1fwg s LYS 50 N 3.36 4.09 0.23 1.70 2.20 0.53 -4.90 119.74 126.94 1fwg s LYS 50 Ca 0.39 0.10 -0.21 0.00 -0.36 0.00 0.00 55.97 55.90 1fwg s LYS 50 Cb -0.13 -3.60 0.07 0.00 -1.51 0.00 0.00 37.83 32.66 1fwg s LYS 50 CO 0.15 -0.16 0.97 -0.59 -0.36 0.00 0.00 175.35 175.35 1fwg s PHE 51 N 1.70 0.05 -0.99 4.03 -0.12 -1.26 -1.94 117.98 119.45 1fwg s PHE 51 Ca 0.16 -0.50 -0.23 0.00 -0.05 0.00 0.00 56.93 56.31 1fwg s PHE 51 Cb -0.15 0.73 0.04 0.00 -0.63 0.00 0.00 43.02 43.01 1fwg s PHE 51 CO 0.09 -1.07 1.47 0.34 -0.05 0.00 0.00 175.22 176.00 1fwg s ASP 52 N -3.26 6.38 0.48 1.98 -1.08 -1.26 -4.82 116.67 115.09 1fwg s ASP 52 Ca 0.19 -1.31 0.15 0.00 -0.52 0.00 0.00 52.55 51.07 1fwg s ASP 52 Cb -0.03 -2.57 1.15 0.00 -1.46 0.00 0.00 42.92 40.01 1fwg s ASP 52 CO 0.06 -1.62 2.06 0.03 0.52 0.00 0.00 175.17 176.22 1fwg h ARG 53 N 9.94 0.21 -0.53 4.34 2.47 -1.97 -2.30 114.38 126.54 1fwg h ARG 53 Ca 0.15 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.80 1fwg h ARG 53 Cb 1.01 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.26 1fwg h ARG 53 CO 1.40 0.14 0.12 0.37 0.56 0.00 0.00 179.97 182.56 1fwg h GLN 54 N 0.22 0.82 -0.04 0.04 4.15 -1.95 -2.69 115.11 115.66 1fwg h GLN 54 Ca 0.15 -0.17 -0.16 0.00 0.77 0.00 0.00 58.65 59.24 1fwg h GLN 54 Cb 0.32 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1fwg h GLN 54 CO -0.03 0.75 -0.68 0.37 -1.93 0.00 0.00 178.83 177.31 1fwg h GLN 55 N 0.79 0.19 0.00 1.69 5.75 -1.83 -3.12 115.11 118.59 1fwg h GLN 55 Ca 0.17 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1fwg h GLN 55 Cb 0.31 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1fwg h GLN 55 CO 0.00 0.80 0.00 0.00 -2.65 0.00 0.00 178.83 176.98 1fwg n ALA 56 N -2.46 2.58 -1.62 3.38 0.00 -1.03 -4.87 120.51 116.50 1fwg n ALA 56 Ca -0.02 -0.18 -0.44 0.00 0.00 0.00 0.00 53.44 52.80 1fwg n ALA 56 Cb 0.67 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 1fwg n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fwg n ALA 57 N -1.06 1.56 -0.67 0.00 0.00 -1.13 -1.23 120.51 117.98 1fwg n ALA 57 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1fwg n ALA 57 Cb 0.13 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 16.82 1fwg n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fwg n GLY 58 N 5.20 0.64 3.60 0.00 0.00 -1.26 -5.02 105.19 108.35 1fwg n GLY 58 Ca 0.26 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1fwg n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fwg s TYR 59 N -2.00 2.61 0.26 1.61 2.02 -0.36 -0.65 117.35 120.84 1fwg s TYR 59 Ca 0.00 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.48 1fwg s TYR 59 Cb 0.00 -1.18 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 1fwg s TYR 59 CO 0.00 0.61 0.15 -0.98 -1.57 0.00 0.00 175.55 173.76 1fwg s ARG 60 N -3.43 1.44 0.17 -0.62 1.70 -0.42 -1.35 118.95 116.44 1fwg s ARG 60 Ca 0.29 -1.79 -0.30 0.00 -0.47 0.00 0.00 55.73 53.46 1fwg s ARG 60 Cb -0.07 0.03 -0.08 0.00 -0.57 0.00 0.00 34.95 34.26 1fwg s ARG 60 CO 0.18 -0.42 1.28 -0.51 -1.08 0.00 0.00 175.30 174.76 1fwg s LEU 61 N -3.29 4.41 -1.37 -1.89 1.43 -1.19 -0.64 118.68 116.15 1fwg s LEU 61 Ca 0.38 2.32 -0.12 0.00 -1.03 0.00 0.00 54.13 55.68 1fwg s LEU 61 Cb 0.06 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 42.78 1fwg s LEU 61 CO 0.16 -0.50 2.07 -3.20 0.23 0.00 0.00 176.35 175.10 1fwg n ASN 62 N 2.90 4.58 -4.16 2.29 2.85 -0.18 -4.67 115.26 118.87 1fwg n ASN 62 Ca 0.07 -2.98 -0.12 0.00 -0.11 0.00 0.00 54.58 51.44 1fwg n ASN 62 Cb 0.43 -1.56 -0.10 0.00 1.24 0.00 0.00 39.78 39.79 1fwg n ASN 62 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1fwg s ILE 63 N 1.72 0.76 0.27 -1.44 -4.36 -1.26 -4.92 121.20 111.97 1fwg s ILE 63 Ca 0.44 -1.75 -0.29 0.00 -0.26 0.00 0.00 60.65 58.78 1fwg s ILE 63 Cb 0.12 -1.46 -0.14 0.00 1.25 0.00 0.00 42.46 42.23 1fwg s ILE 63 CO -0.04 -0.72 1.14 -0.81 0.24 0.00 0.00 174.94 174.75 1fwg n PRO 64 N 0.31 1.55 -1.64 0.37 -0.04 -1.26 -4.83 135.00 129.46 1fwg n PRO 64 Ca -0.14 0.55 -0.48 0.00 -0.04 0.00 0.00 63.50 63.38 1fwg n PRO 64 Cb 0.59 -2.02 -0.04 0.00 -0.04 0.00 0.00 33.50 31.99 1fwg n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fwg n ALA 65 N 0.72 0.39 0.00 0.55 0.00 -1.26 -1.80 120.51 119.11 1fwg n ALA 65 Ca 0.10 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1fwg n ALA 65 Cb 0.31 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1fwg n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fwg n GLY 66 N 2.69 1.98 3.98 0.00 0.00 -1.26 -5.05 105.19 107.54 1fwg n GLY 66 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1fwg n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fwg s THR 67 N -2.33 2.17 0.18 2.61 -4.23 -0.75 -4.88 115.64 108.43 1fwg s THR 67 Ca 0.00 -0.55 -0.07 0.00 -1.18 0.00 0.00 61.69 59.89 1fwg s THR 67 Cb 0.00 -2.62 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 1fwg s THR 67 CO 0.00 0.00 0.25 0.00 -0.54 0.00 0.00 174.62 174.33 1fwg s ALA 68 N -3.16 0.34 -0.12 3.99 0.00 -1.26 -1.84 121.76 119.70 1fwg s ALA 68 Ca 0.66 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1fwg s ALA 68 Cb -0.06 1.01 0.01 0.00 0.00 0.00 0.00 23.12 24.09 1fwg s ALA 68 CO 0.44 -0.65 -0.18 0.08 0.00 0.00 0.00 175.76 175.45 1fwg s VAL 69 N -4.03 1.73 -0.00 0.00 1.01 -0.63 -4.97 120.40 113.50 1fwg s VAL 69 Ca 0.24 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 1fwg s VAL 69 Cb 0.04 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1fwg s VAL 69 CO 0.05 0.49 0.22 -0.60 0.00 0.00 0.00 175.10 175.25 1fwg s ARG 70 N 0.96 3.50 -0.22 2.72 3.52 -1.26 -0.80 118.95 127.36 1fwg s ARG 70 Ca -0.06 -0.22 -0.01 0.00 -0.13 0.00 0.00 55.73 55.32 1fwg s ARG 70 Cb -0.15 -3.09 0.06 0.00 -1.56 0.00 0.00 34.95 30.22 1fwg s ARG 70 CO -0.03 0.67 0.01 -0.06 -0.81 0.00 0.00 175.30 175.08 1fwg s PHE 71 N -1.31 1.65 0.75 5.12 0.08 0.13 -4.98 117.98 119.41 1fwg s PHE 71 Ca 0.27 -1.31 -0.11 0.00 0.12 0.00 0.00 56.93 55.90 1fwg s PHE 71 Cb -0.13 -1.32 0.04 0.00 -0.57 0.00 0.00 43.02 41.04 1fwg s PHE 71 CO 0.17 -0.70 1.08 -1.21 -0.10 0.00 0.00 175.22 174.46 1fwg s GLU 72 N 1.65 2.50 0.13 0.44 0.41 -1.26 -0.97 118.70 121.60 1fwg s GLU 72 Ca -0.02 0.78 -0.34 0.00 -0.41 0.00 0.00 54.97 54.98 1fwg s GLU 72 Cb -0.18 -1.95 -0.14 0.00 -1.78 0.00 0.00 34.13 30.08 1fwg s GLU 72 CO -0.09 -1.36 1.59 -2.30 -0.49 0.00 0.00 175.26 172.61 1fwg n PRO 73 N -3.28 2.09 -0.24 0.39 -0.02 -1.26 -1.35 135.00 131.32 1fwg n PRO 73 Ca 0.07 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1fwg n PRO 73 Cb 0.55 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1fwg n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fwg n GLY 74 N 3.44 1.99 3.74 -1.23 0.00 0.12 -5.01 105.19 108.25 1fwg n GLY 74 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1fwg n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fwg s GLN 75 N -0.18 4.43 -0.05 1.61 0.74 -0.46 -4.67 119.66 121.08 1fwg s GLN 75 Ca 0.00 2.01 0.04 0.00 0.05 0.00 0.00 55.36 57.46 1fwg s GLN 75 Cb 0.00 -3.19 -0.00 0.00 1.10 0.00 0.00 33.01 30.92 1fwg s GLN 75 CO 0.00 -0.16 -0.18 0.21 -0.55 0.00 0.00 175.29 174.61 1fwg s LYS 76 N -0.48 1.87 0.15 1.67 2.20 -1.26 -0.34 119.74 123.55 1fwg s LYS 76 Ca 0.54 -0.63 -0.24 0.00 -0.36 0.00 0.00 55.97 55.28 1fwg s LYS 76 Cb -0.36 -1.61 0.07 0.00 -1.51 0.00 0.00 37.83 34.42 1fwg s LYS 76 CO 0.40 0.24 0.65 -0.98 -0.36 0.00 0.00 175.35 175.30 1fwg s ARG 77 N 0.05 1.26 -0.24 4.03 1.70 0.20 -4.98 118.95 120.96 1fwg s ARG 77 Ca -0.05 -0.48 -0.10 0.00 -0.47 0.00 0.00 55.73 54.63 1fwg s ARG 77 Cb -0.12 0.56 -0.05 0.00 -0.57 0.00 0.00 34.95 34.78 1fwg s ARG 77 CO 0.03 -0.55 0.14 -2.00 -1.08 0.00 0.00 175.30 171.83 1fwg s GLU 78 N -3.68 3.97 0.22 3.89 2.12 -1.26 -0.29 118.70 123.67 1fwg s GLU 78 Ca 0.02 -0.32 0.09 0.00 0.36 0.00 0.00 54.97 55.12 1fwg s GLU 78 Cb -0.01 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1fwg s GLU 78 CO -0.11 0.01 -0.02 0.14 -0.54 0.00 0.00 175.26 174.74 1fwg s VAL 79 N 1.18 3.50 -0.15 3.70 -7.23 0.16 -4.93 120.40 116.64 1fwg s VAL 79 Ca 0.07 -1.69 -0.04 0.00 -1.81 0.00 0.00 61.98 58.50 1fwg s VAL 79 Cb -0.14 -2.81 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 1fwg s VAL 79 CO 0.05 -0.23 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.90 1fwg s GLU 80 N -3.26 3.59 0.10 4.82 2.12 -1.26 -1.32 118.70 123.48 1fwg s GLU 80 Ca 0.29 -0.45 0.06 0.00 0.36 0.00 0.00 54.97 55.22 1fwg s GLU 80 Cb -0.08 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 1fwg s GLU 80 CO 0.19 0.36 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.71 1fwg s LEU 81 N 0.08 3.29 -0.02 2.70 1.02 0.12 -1.01 118.68 124.86 1fwg s LEU 81 Ca 0.01 -0.27 0.04 0.00 0.02 0.00 0.00 54.13 53.94 1fwg s LEU 81 Cb -0.13 -2.05 -0.01 0.00 0.02 0.00 0.00 46.19 44.03 1fwg s LEU 81 CO 0.02 0.17 -0.15 0.54 0.02 0.00 0.00 176.35 176.95 1fwg s VAL 82 N -1.28 1.23 0.35 -1.59 0.11 0.19 -1.42 120.40 117.99 1fwg s VAL 82 Ca 0.24 -0.64 -0.27 0.00 -2.93 0.00 0.00 61.98 58.38 1fwg s VAL 82 Cb -0.11 -1.04 -0.09 0.00 -1.53 0.00 0.00 36.38 33.60 1fwg s VAL 82 CO 0.17 0.35 1.14 0.00 -3.33 0.00 0.00 175.10 173.43 1fwg s ALA 83 N -0.17 3.27 0.78 1.54 0.00 -0.36 -1.31 121.76 125.52 1fwg s ALA 83 Ca 0.02 0.94 -0.13 0.00 0.00 0.00 0.00 51.96 52.78 1fwg s ALA 83 Cb -0.08 -3.36 0.07 0.00 0.00 0.00 0.00 23.12 19.75 1fwg s ALA 83 CO 0.00 -0.37 1.19 -0.06 0.00 0.00 0.00 175.76 176.52 1fwg s PHE 84 N -1.33 1.97 0.00 0.00 0.08 0.18 -4.87 117.98 114.00 1fwg s PHE 84 Ca 0.52 1.65 0.00 0.00 0.12 0.00 0.00 56.93 59.22 1fwg s PHE 84 Cb -0.31 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 38.72 1fwg s PHE 84 CO 0.40 -2.62 0.00 0.00 -0.10 0.00 0.00 175.22 172.89 1fwg n ALA 85 N -3.16 0.00 -0.74 5.36 0.00 -1.26 -4.85 120.51 115.86 1fwg n ALA 85 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1fwg n ALA 85 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1fwg n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fwg n GLY 86 N 3.74 2.87 0.00 0.00 0.00 -1.26 -1.39 105.19 109.16 1fwg n GLY 86 Ca 0.00 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.92 1fwg n GLY 86 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fwg n HIS 87 N 13.48 0.00 -3.54 1.61 8.25 -1.26 -4.94 115.22 128.81 1fwg n HIS 87 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 1fwg n HIS 87 Cb 0.00 -0.30 0.05 0.00 1.12 0.00 0.00 29.99 30.86 1fwg n HIS 87 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1fwg n ARG 88 N -1.48 -3.43 -4.15 -0.41 1.74 -0.49 -4.76 116.66 103.68 1fwg n ARG 88 Ca 0.06 0.67 -0.30 0.00 -0.77 0.00 0.00 57.85 57.52 1fwg n ARG 88 Cb 0.34 -5.17 -0.17 0.00 -1.02 0.00 0.00 32.46 26.44 1fwg n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fwg s ALA 89 N -3.51 1.81 -0.26 7.54 0.00 -1.26 -0.49 121.76 125.58 1fwg s ALA 89 Ca 0.25 -0.86 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 1fwg s ALA 89 Cb -0.06 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1fwg s ALA 89 CO 0.80 -0.30 0.14 0.08 0.00 0.00 0.00 175.76 176.48 1fwg s VAL 90 N 1.35 4.97 -0.06 0.00 1.01 0.79 -4.90 120.40 123.56 1fwg s VAL 90 Ca 0.02 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1fwg s VAL 90 Cb -0.13 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1fwg s VAL 90 CO -0.08 0.29 -0.10 -0.36 0.00 0.00 0.00 175.10 174.85 1fwg s PHE 91 N 1.61 1.25 0.00 5.22 0.40 -1.26 -0.67 117.98 124.52 1fwg s PHE 91 Ca 0.07 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 1fwg s PHE 91 Cb -0.15 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.43 1fwg s PHE 91 CO 0.08 -0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.16 1fwg n GLY 92 N 3.85 0.39 7.00 4.36 0.00 -1.26 -4.99 105.19 114.54 1fwg n GLY 92 Ca -0.24 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1fwg n GLY 92 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fwg n PHE 93 N 0.00 0.00 0.78 1.61 3.01 -1.26 -0.72 117.46 120.88 1fwg n PHE 93 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 1fwg n PHE 93 Cb 0.00 0.00 0.27 0.00 -0.01 0.00 0.00 39.48 39.74 1fwg n PHE 93 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1fwg n ARG 94 N 14.00 1.99 -2.19 -1.08 1.74 -1.26 -4.94 116.66 124.93 1fwg n ARG 94 Ca 0.00 -1.52 -0.11 0.00 -0.77 0.00 0.00 57.85 55.45 1fwg n ARG 94 Cb 0.00 -1.39 -0.01 0.00 -1.02 0.00 0.00 32.46 30.04 1fwg n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fwg n GLY 95 N 1.23 -0.05 0.12 -0.13 0.00 0.10 -4.96 105.19 101.51 1fwg n GLY 95 Ca 0.16 -0.44 0.02 0.00 0.00 0.00 0.00 46.02 45.76 1fwg n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fwg h GLU 96 N 0.00 0.00 0.00 1.61 5.08 -1.92 -3.42 114.58 115.93 1fwg h GLU 96 Ca -0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1fwg h GLU 96 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1fwg h GLU 96 CO 0.30 0.43 -0.53 1.55 -1.00 0.00 0.00 179.01 179.76 1fwg n VAL 97 N -3.10 1.30 -3.88 3.13 3.14 -1.26 -5.03 118.33 112.63 1fwg n VAL 97 Ca -0.02 0.26 -0.25 0.00 -2.96 0.00 0.00 64.34 61.37 1fwg n VAL 97 Cb 0.77 -1.90 -0.00 0.00 -1.06 0.00 0.00 33.84 31.64 1fwg n VAL 97 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1fwg n MET 98 N -3.89 -3.41 -3.51 1.45 2.81 -0.29 -4.87 117.12 105.41 1fwg n MET 98 Ca -0.07 0.45 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 1fwg n MET 98 Cb 0.26 -4.61 0.00 0.00 -0.71 0.00 0.00 33.22 28.16 1fwg n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fwg n GLY 99 N -1.87 -1.51 3.77 3.03 0.00 0.15 -4.94 105.19 103.82 1fwg n GLY 99 Ca -0.29 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 1fwg n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fwg s PRO 100 N -1.28 4.10 0.00 1.61 0.04 -1.26 -0.15 135.00 138.06 1fwg s PRO 100 Ca 0.00 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1fwg s PRO 100 Cb 0.00 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1fwg s PRO 100 CO 0.00 -0.30 0.00 -0.11 0.04 0.00 0.00 177.00 176.63