#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fwo s GLN 2 N 0.00 0.11 -0.11 0.38 -0.21 -1.26 -4.37 119.66 114.20 2fwo s GLN 2 Ca 0.00 -0.11 -0.17 0.00 0.02 0.00 0.00 55.36 55.10 2fwo s GLN 2 Cb 0.00 -1.60 -0.04 0.00 1.00 0.00 0.00 33.01 32.37 2fwo s GLN 2 CO 0.00 -0.73 0.44 0.15 -2.12 0.00 0.00 175.29 173.03 2fwo s LYS 3 N 2.17 4.29 0.37 2.91 1.02 -0.61 -4.90 119.74 125.00 2fwo s LYS 3 Ca 0.04 0.40 -0.27 0.00 0.02 0.00 0.00 55.97 56.16 2fwo s LYS 3 Cb -0.16 -3.42 -0.09 0.00 -0.52 0.00 0.00 37.83 33.64 2fwo s LYS 3 CO -0.14 0.22 1.29 0.99 -0.92 0.00 0.00 175.35 176.78 2fwo s THR 4 N 0.45 2.73 0.15 2.17 2.01 -1.26 -1.64 115.64 120.26 2fwo s THR 4 Ca 0.24 0.68 -0.30 0.00 0.31 0.00 0.00 61.69 62.62 2fwo s THR 4 Cb -0.15 -3.41 -0.07 0.00 0.01 0.00 0.00 72.50 68.88 2fwo s THR 4 CO 0.10 0.12 1.12 -2.16 -0.69 0.00 0.00 174.62 173.11 2fwo s PRO 5 N -2.05 4.56 -0.18 4.92 0.04 -1.26 -4.14 135.00 136.88 2fwo s PRO 5 Ca 0.53 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 63.17 2fwo s PRO 5 Cb -0.38 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 2fwo s PRO 5 CO 0.49 0.00 0.30 -0.65 0.04 0.00 0.00 177.00 177.19 2fwo s GLN 6 N -0.09 4.21 -0.12 4.56 -1.52 0.27 -4.90 119.66 122.07 2fwo s GLN 6 Ca 0.51 0.07 0.02 0.00 -1.95 0.00 0.00 55.36 54.01 2fwo s GLN 6 Cb -0.29 -3.47 0.01 0.00 -0.22 0.00 0.00 33.01 29.04 2fwo s GLN 6 CO 0.34 0.14 -0.17 0.42 -0.25 0.00 0.00 175.29 175.76 2fwo s ILE 7 N 0.78 1.71 -0.09 1.08 1.09 -1.26 0.29 121.20 124.79 2fwo s ILE 7 Ca 0.16 -0.76 0.04 0.00 -1.10 0.00 0.00 60.65 58.99 2fwo s ILE 7 Cb -0.13 -1.54 -0.00 0.00 -1.06 0.00 0.00 42.46 39.72 2fwo s ILE 7 CO 0.05 0.48 -0.23 -1.10 -0.10 0.00 0.00 174.94 174.04 2fwo s GLN 8 N 0.98 2.98 -0.22 2.79 -0.21 -0.06 -4.98 119.66 120.94 2fwo s GLN 8 Ca -0.05 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 54.47 2fwo s GLN 8 Cb -0.15 -2.31 0.03 0.00 1.00 0.00 0.00 33.01 31.58 2fwo s GLN 8 CO -0.03 0.23 -0.12 0.08 -2.12 0.00 0.00 175.29 173.33 2fwo s VAL 9 N 0.22 2.48 0.04 1.09 1.01 -1.26 0.06 120.40 124.04 2fwo s VAL 9 Ca -0.15 -1.05 -0.23 0.00 0.00 0.00 0.00 61.98 60.55 2fwo s VAL 9 Cb -0.17 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 34.06 2fwo s VAL 9 CO 0.07 0.31 0.53 -0.72 0.00 0.00 0.00 175.10 175.29 2fwo s TYR 10 N 1.29 -0.44 0.51 5.22 1.13 -0.61 -4.51 117.35 119.94 2fwo s TYR 10 Ca 0.01 0.52 -0.05 0.00 -1.41 0.00 0.00 57.07 56.14 2fwo s TYR 10 Cb -0.16 0.34 -0.03 0.00 -1.10 0.00 0.00 41.96 41.02 2fwo s TYR 10 CO -0.08 -0.63 0.82 -1.54 -2.51 0.00 0.00 175.55 171.61 2fwo s SER 11 N -1.89 6.10 0.11 -0.18 1.04 -1.26 -0.85 113.70 116.77 2fwo s SER 11 Ca -0.06 0.88 -0.15 0.00 0.48 0.00 0.00 55.95 57.10 2fwo s SER 11 Cb -0.01 -2.12 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 2fwo s SER 11 CO -0.01 -0.70 1.53 -0.09 0.98 0.00 0.00 173.24 174.95 2fwo h ARG 12 N 0.12 0.69 -5.88 4.02 2.43 -0.77 -3.46 114.38 111.53 2fwo h ARG 12 Ca -0.46 -0.25 -0.56 0.00 -0.81 0.00 0.00 59.98 57.89 2fwo h ARG 12 Cb 1.22 -0.04 -0.14 0.00 -0.42 0.00 0.00 29.97 30.58 2fwo h ARG 12 CO 0.61 0.83 -0.71 -1.01 -1.51 0.00 0.00 179.97 178.18 2fwo s HIS 13 N -4.84 2.16 0.06 2.20 3.76 -1.26 -5.04 115.29 112.32 2fwo s HIS 13 Ca -0.13 -0.50 -0.30 0.00 -0.15 0.00 0.00 55.06 53.98 2fwo s HIS 13 Cb 0.09 -1.10 -0.09 0.00 1.11 0.00 0.00 32.58 32.59 2fwo s HIS 13 CO 0.80 0.53 1.95 -2.30 -0.85 0.00 0.00 174.74 174.86 2fwo n PRO 14 N -0.62 2.86 -1.58 8.40 -0.02 -1.26 -4.90 135.00 137.87 2fwo n PRO 14 Ca -0.06 1.05 -0.36 0.00 -2.02 0.00 0.00 63.50 62.11 2fwo n PRO 14 Cb 0.62 -2.99 0.08 0.00 -0.02 0.00 0.00 33.50 31.19 2fwo n PRO 14 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2fwo n PRO 15 N 7.11 0.88 -3.65 0.52 -0.04 -1.26 -5.05 135.00 133.50 2fwo n PRO 15 Ca 0.20 0.36 -0.12 0.00 -0.04 0.00 0.00 63.50 63.90 2fwo n PRO 15 Cb 0.40 -2.45 -0.12 0.00 -0.04 0.00 0.00 33.50 31.29 2fwo n PRO 15 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2fwo s GLU 16 N -3.42 0.22 0.17 0.54 2.02 -1.26 -5.10 118.70 111.86 2fwo s GLU 16 Ca 0.80 0.85 -0.32 0.00 0.02 0.00 0.00 54.97 56.32 2fwo s GLU 16 Cb -0.37 0.09 -0.17 0.00 0.10 0.00 0.00 34.13 33.78 2fwo s GLU 16 CO 0.43 -0.28 0.91 0.09 0.02 0.00 0.00 175.26 176.43 2fwo n ASN 17 N 5.37 0.23 0.00 -0.19 3.02 -1.26 -0.53 115.26 121.90 2fwo n ASN 17 Ca -0.07 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 2fwo n ASN 17 Cb 0.50 -1.08 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 2fwo n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fwo n GLY 18 N 1.80 2.17 3.67 7.41 0.00 0.42 -4.97 105.19 115.69 2fwo n GLY 18 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2fwo n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fwo s LYS 19 N 0.00 4.26 0.30 1.61 2.20 0.31 -4.90 119.74 123.52 2fwo s LYS 19 Ca 0.00 0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 55.97 2fwo s LYS 19 Cb 0.00 -3.55 -0.13 0.00 -1.51 0.00 0.00 37.83 32.64 2fwo s LYS 19 CO 0.00 -0.16 1.28 -2.30 -0.36 0.00 0.00 175.35 173.81 2fwo n PRO 20 N 4.75 1.96 -0.85 4.03 -0.02 -1.26 -4.23 135.00 139.37 2fwo n PRO 20 Ca -0.02 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2fwo n PRO 20 Cb 0.50 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2fwo n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2fwo n ASN 21 N 1.28 0.00 -3.68 2.55 2.85 0.34 -4.97 115.26 113.63 2fwo n ASN 21 Ca 0.08 -0.50 -0.18 0.00 -0.11 0.00 0.00 54.58 53.86 2fwo n ASN 21 Cb 0.34 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.19 2fwo n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2fwo s ILE 22 N -1.93 -0.13 -0.08 -1.44 1.01 -1.26 -2.36 121.20 115.00 2fwo s ILE 22 Ca 0.00 0.38 -0.17 0.00 0.00 0.00 0.00 60.65 60.86 2fwo s ILE 22 Cb 0.00 -0.18 -0.05 0.00 0.01 0.00 0.00 42.46 42.25 2fwo s ILE 22 CO 0.00 0.16 0.46 -0.22 0.00 0.00 0.00 174.94 175.33 2fwo s LEU 23 N 2.02 4.34 0.22 2.97 2.96 -0.47 0.04 118.68 130.76 2fwo s LEU 23 Ca 0.02 0.86 0.11 0.00 -0.22 0.00 0.00 54.13 54.91 2fwo s LEU 23 Cb -0.12 -2.66 -0.05 0.00 0.50 0.00 0.00 46.19 43.86 2fwo s LEU 23 CO -0.04 0.10 -0.21 0.20 -1.32 0.00 0.00 176.35 175.09 2fwo s ASN 24 N 0.09 3.31 -0.18 3.68 0.01 -0.03 -1.46 114.94 120.36 2fwo s ASN 24 Ca 0.25 -0.94 -0.05 0.00 -0.71 0.00 0.00 52.86 51.41 2fwo s ASN 24 Cb -0.16 -0.25 0.06 0.00 0.41 0.00 0.00 41.25 41.32 2fwo s ASN 24 CO 0.11 0.04 0.10 0.00 -1.51 0.00 0.00 177.10 175.84 2fwo s TYR 26 N 2.15 3.22 -0.17 0.00 5.04 0.11 -0.79 117.35 126.91 2fwo s TYR 26 Ca 0.03 -0.02 -0.02 0.00 -2.44 0.00 0.00 57.07 54.62 2fwo s TYR 26 Cb -0.16 -2.42 -0.01 0.00 0.35 0.00 0.00 41.96 39.72 2fwo s TYR 26 CO -0.11 -0.24 -0.08 0.08 -1.34 0.00 0.00 175.55 173.86 2fwo s VAL 27 N 1.74 3.29 0.08 3.14 1.01 -0.57 -0.88 120.40 128.22 2fwo s VAL 27 Ca 0.07 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2fwo s VAL 27 Cb -0.17 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2fwo s VAL 27 CO 0.11 0.48 0.08 0.42 0.00 0.00 0.00 175.10 176.19 2fwo s THR 28 N 0.81 0.17 -1.06 3.92 -4.23 0.15 -1.25 115.64 114.14 2fwo s THR 28 Ca -0.03 -1.57 -0.04 0.00 -1.18 0.00 0.00 61.69 58.87 2fwo s THR 28 Cb -0.15 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.14 2fwo s THR 28 CO 0.01 -0.75 0.59 0.00 -0.54 0.00 0.00 174.62 173.93 2fwo n GLN 29 N -0.00 -4.34 -4.25 3.99 6.02 -0.41 0.97 117.38 119.36 2fwo n GLN 29 Ca -0.13 0.63 -0.26 0.00 -0.01 0.00 0.00 57.00 57.23 2fwo n GLN 29 Cb 0.62 -4.95 -0.08 0.00 1.02 0.00 0.00 30.24 26.85 2fwo n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 2fwo s PHE 30 N -3.08 2.73 -0.28 1.08 -0.71 -1.17 -4.03 117.98 112.51 2fwo s PHE 30 Ca 0.29 -0.18 -0.21 0.00 -1.04 0.00 0.00 56.93 55.79 2fwo s PHE 30 Cb -0.13 -1.32 0.12 0.00 -1.21 0.00 0.00 43.02 40.48 2fwo s PHE 30 CO 0.36 0.52 0.93 -1.58 -1.34 0.00 0.00 175.22 174.11 2fwo s HIS 31 N -1.75 -0.63 1.45 3.49 2.46 -0.65 -2.27 115.29 117.39 2fwo s HIS 31 Ca 0.26 1.38 -0.23 0.00 0.47 0.00 0.00 55.06 56.95 2fwo s HIS 31 Cb -0.09 0.39 0.37 0.00 -0.13 0.00 0.00 32.58 33.12 2fwo s HIS 31 CO 0.17 -0.31 0.91 -2.14 -2.47 0.00 0.00 174.74 170.90 2fwo s PRO 32 N 0.79 -3.14 0.16 2.88 0.02 -1.26 -1.57 135.00 132.88 2fwo s PRO 32 Ca -0.03 0.16 0.24 0.00 0.02 0.00 0.00 61.00 61.39 2fwo s PRO 32 Cb -0.05 -1.35 0.91 0.00 0.02 0.00 0.00 34.50 34.04 2fwo s PRO 32 CO -0.10 -5.02 1.74 -0.35 -0.33 0.00 0.00 177.00 172.94 2fwo n PRO 33 N -5.74 0.16 -1.85 5.54 -0.04 -1.26 -4.76 135.00 127.04 2fwo n PRO 33 Ca 0.13 0.25 -0.42 0.00 -0.04 0.00 0.00 63.50 63.41 2fwo n PRO 33 Cb 0.60 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 2fwo n PRO 33 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2fwo s HIS 34 N -3.14 1.88 -0.02 0.54 3.76 -1.26 -4.95 115.29 112.10 2fwo s HIS 34 Ca 0.09 -0.00 -0.29 0.00 -0.15 0.00 0.00 55.06 54.70 2fwo s HIS 34 Cb 0.12 -4.06 0.07 0.00 1.11 0.00 0.00 32.58 29.82 2fwo s HIS 34 CO 0.48 -4.50 0.64 -1.50 -0.85 0.00 0.00 174.74 169.01 2fwo s ILE 35 N 3.71 0.00 -0.28 0.60 2.07 -1.26 -4.66 121.20 121.38 2fwo s ILE 35 Ca 0.79 -0.04 0.01 0.00 -1.41 0.00 0.00 60.65 60.00 2fwo s ILE 35 Cb -0.39 -0.98 0.08 0.00 0.13 0.00 0.00 42.46 41.30 2fwo s ILE 35 CO 0.35 -0.02 0.01 -0.70 -1.91 0.00 0.00 174.94 172.66 2fwo s GLU 36 N -1.53 1.38 -0.16 3.50 2.12 -0.77 -4.98 118.70 118.26 2fwo s GLU 36 Ca -0.10 -1.21 -0.07 0.00 0.36 0.00 0.00 54.97 53.96 2fwo s GLU 36 Cb -0.00 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.75 2fwo s GLU 36 CO 0.07 -0.76 0.06 0.42 -0.54 0.00 0.00 175.26 174.50 2fwo s ILE 37 N 1.33 4.76 -0.09 -3.70 1.09 -1.26 -1.32 121.20 122.02 2fwo s ILE 37 Ca 0.02 -0.05 -0.02 0.00 -1.10 0.00 0.00 60.65 59.49 2fwo s ILE 37 Cb -0.19 -3.12 0.04 0.00 -1.06 0.00 0.00 42.46 38.13 2fwo s ILE 37 CO -0.11 0.50 0.04 -1.58 -0.10 0.00 0.00 174.94 173.69 2fwo s GLN 38 N 0.07 0.26 0.08 2.79 0.74 0.20 -4.98 119.66 118.82 2fwo s GLN 38 Ca 0.05 0.13 -0.22 0.00 0.05 0.00 0.00 55.36 55.38 2fwo s GLN 38 Cb -0.12 -1.04 -0.07 0.00 1.10 0.00 0.00 33.01 32.88 2fwo s GLN 38 CO 0.01 -0.40 0.65 -1.64 -0.55 0.00 0.00 175.29 173.35 2fwo s MET 39 N 2.07 4.35 0.20 1.67 -1.94 -1.26 0.18 119.30 124.56 2fwo s MET 39 Ca 0.04 0.88 0.08 0.00 -1.71 0.00 0.00 55.69 54.98 2fwo s MET 39 Cb -0.13 -3.27 -0.05 0.00 2.01 0.00 0.00 34.83 33.39 2fwo s MET 39 CO -0.05 0.55 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.85 2fwo s LEU 40 N -0.88 2.55 -0.10 -0.03 1.43 0.21 -2.01 118.68 119.85 2fwo s LEU 40 Ca 0.32 -1.01 -0.01 0.00 -1.03 0.00 0.00 54.13 52.40 2fwo s LEU 40 Cb -0.20 -0.69 0.03 0.00 0.03 0.00 0.00 46.19 45.36 2fwo s LEU 40 CO 0.21 -0.16 -0.02 -0.75 0.23 0.00 0.00 176.35 175.86 2fwo s LYS 41 N -3.60 0.92 -1.53 1.70 2.20 0.28 -1.86 119.74 117.84 2fwo s LYS 41 Ca 0.22 -0.07 -0.13 0.00 -0.36 0.00 0.00 55.97 55.63 2fwo s LYS 41 Cb -0.01 -1.29 0.09 0.00 -1.51 0.00 0.00 37.83 35.10 2fwo s LYS 41 CO 0.07 -0.33 0.96 0.09 -0.36 0.00 0.00 175.35 175.79 2fwo n ASN 42 N 5.07 -4.60 0.00 1.43 3.02 0.80 -0.93 115.26 120.05 2fwo n ASN 42 Ca -0.09 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 2fwo n ASN 42 Cb 0.50 -3.84 0.00 0.00 -0.61 0.00 0.00 39.78 35.83 2fwo n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fwo n GLY 43 N -1.68 2.95 3.86 7.41 0.00 -1.26 -5.01 105.19 111.45 2fwo n GLY 43 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2fwo n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fwo s LYS 44 N -0.20 3.89 0.11 1.61 3.01 -0.10 -5.00 119.74 123.05 2fwo s LYS 44 Ca 0.00 0.56 -0.30 0.00 -1.01 0.00 0.00 55.97 55.22 2fwo s LYS 44 Cb 0.00 -2.41 -0.06 0.00 -1.01 0.00 0.00 37.83 34.35 2fwo s LYS 44 CO 0.00 0.06 0.98 0.21 0.51 0.00 0.00 175.35 177.11 2fwo s LYS 45 N -3.41 4.67 -0.38 1.68 2.20 -1.26 0.10 119.74 123.34 2fwo s LYS 45 Ca 0.53 1.48 -0.16 0.00 -0.36 0.00 0.00 55.97 57.46 2fwo s LYS 45 Cb -0.10 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 2fwo s LYS 45 CO 0.24 0.17 0.38 -1.50 -0.36 0.00 0.00 175.35 174.29 2fwo s ILE 46 N 0.09 5.15 0.14 5.43 2.07 -0.85 -4.83 121.20 128.40 2fwo s ILE 46 Ca 0.48 -0.16 -0.18 0.00 -1.41 0.00 0.00 60.65 59.38 2fwo s ILE 46 Cb -0.24 -3.91 -0.02 0.00 0.13 0.00 0.00 42.46 38.42 2fwo s ILE 46 CO 0.30 -0.23 1.77 1.55 -1.91 0.00 0.00 174.94 176.43 2fwo h PRO 47 N 8.57 0.31 -2.79 3.50 0.13 -1.95 -3.34 132.00 136.43 2fwo h PRO 47 Ca -0.28 -0.02 -0.33 0.00 -0.87 0.00 0.00 66.00 64.50 2fwo h PRO 47 Cb 1.13 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2fwo h PRO 47 CO 0.73 0.20 1.58 1.63 -0.23 0.00 0.00 178.00 181.91 2fwo n LYS 48 N -4.95 2.14 -4.06 0.86 5.02 -1.26 -4.88 118.16 111.03 2fwo n LYS 48 Ca -0.01 -1.27 -0.36 0.00 -2.02 0.00 0.00 58.31 54.65 2fwo n LYS 48 Cb 0.06 -2.25 -0.07 0.00 -0.02 0.00 0.00 35.03 32.75 2fwo n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2fwo s VAL 49 N 2.26 5.03 0.17 -0.18 1.01 -1.25 -4.62 120.40 122.83 2fwo s VAL 49 Ca 0.51 -0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.54 2fwo s VAL 49 Cb 0.18 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 2fwo s VAL 49 CO -0.02 0.55 -0.17 -1.61 0.00 0.00 0.00 175.10 173.85 2fwo s GLU 50 N -1.16 1.77 0.04 2.72 8.01 -0.77 -4.97 118.70 124.34 2fwo s GLU 50 Ca 0.17 -1.37 0.09 0.00 0.01 0.00 0.00 54.97 53.87 2fwo s GLU 50 Cb -0.12 -2.01 -0.03 0.00 -4.31 0.00 0.00 34.13 27.66 2fwo s GLU 50 CO 0.06 0.43 -0.26 -1.64 0.01 0.00 0.00 175.26 173.86 2fwo s MET 51 N -2.64 1.78 0.65 1.61 -1.94 -1.26 -1.82 119.30 115.69 2fwo s MET 51 Ca 0.22 -1.08 -0.09 0.00 -1.71 0.00 0.00 55.69 53.03 2fwo s MET 51 Cb -0.09 -1.93 0.01 0.00 2.01 0.00 0.00 34.83 34.83 2fwo s MET 51 CO 0.12 0.50 1.00 -1.54 -0.01 0.00 0.00 175.02 175.09 2fwo s SER 52 N -1.17 5.50 0.55 3.03 1.04 -0.78 -5.00 113.70 116.86 2fwo s SER 52 Ca 0.11 0.92 -0.21 0.00 0.48 0.00 0.00 55.95 57.25 2fwo s SER 52 Cb -0.10 -1.80 -0.05 0.00 0.10 0.00 0.00 66.02 64.17 2fwo s SER 52 CO 0.02 -1.21 1.26 -1.81 0.98 0.00 0.00 173.24 172.47 2fwo s ASP 53 N -4.34 5.42 0.25 7.02 1.01 -1.26 -4.64 116.67 120.13 2fwo s ASP 53 Ca 0.56 2.53 -0.30 0.00 0.71 0.00 0.00 52.55 56.05 2fwo s ASP 53 Cb -0.11 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.12 2fwo s ASP 53 CO 0.48 -1.45 1.20 -0.32 0.21 0.00 0.00 175.17 175.29 2fwo s MET 54 N -3.02 4.51 0.04 8.23 -2.45 -1.26 -4.81 119.30 120.54 2fwo s MET 54 Ca 0.72 1.94 -0.26 0.00 -1.25 0.00 0.00 55.69 56.85 2fwo s MET 54 Cb -0.34 -3.18 0.06 0.00 1.25 0.00 0.00 34.83 32.62 2fwo s MET 54 CO 0.39 -0.02 0.60 -1.54 1.05 0.00 0.00 175.02 175.51 2fwo s SER 55 N -0.35 -0.55 0.51 1.11 1.04 -0.97 -5.02 113.70 109.46 2fwo s SER 55 Ca 0.49 0.32 0.06 0.00 0.48 0.00 0.00 55.95 57.30 2fwo s SER 55 Cb -0.34 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.33 2fwo s SER 55 CO 0.42 -0.75 0.38 0.72 0.98 0.00 0.00 173.24 174.98 2fwo s PHE 56 N -2.37 1.92 0.52 5.02 -0.71 -1.26 0.11 117.98 121.21 2fwo s PHE 56 Ca -0.06 -0.75 0.07 0.00 -1.04 0.00 0.00 56.93 55.16 2fwo s PHE 56 Cb -0.01 -1.97 0.04 0.00 -1.21 0.00 0.00 43.02 39.88 2fwo s PHE 56 CO -0.01 -0.34 0.51 -1.54 -1.34 0.00 0.00 175.22 172.50 2fwo s SER 57 N -4.21 4.89 0.23 1.98 1.04 0.46 -4.85 113.70 113.23 2fwo s SER 57 Ca 0.37 -1.00 -0.06 0.00 0.48 0.00 0.00 55.95 55.74 2fwo s SER 57 Cb -0.02 0.13 0.35 0.00 0.10 0.00 0.00 66.02 66.59 2fwo s SER 57 CO 0.23 -1.06 1.77 0.11 0.98 0.00 0.00 173.24 175.27 2fwo h LYS 58 N 0.65 0.57 0.00 4.02 1.57 -2.01 0.31 116.57 121.68 2fwo h LYS 58 Ca -0.36 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2fwo h LYS 58 Cb 1.29 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2fwo h LYS 58 CO 0.52 0.38 0.00 -0.40 -0.57 0.00 0.00 179.45 179.38 2fwo n ASP 59 N -4.87 0.00 0.00 0.86 5.75 -1.26 -4.80 116.55 112.22 2fwo n ASP 59 Ca 0.12 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.31 2fwo n ASP 59 Cb 0.29 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 2fwo n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2fwo n TRP 60 N -0.73 0.00 -2.47 2.11 5.03 0.11 -5.03 117.44 116.46 2fwo n TRP 60 Ca 0.04 0.00 -0.41 0.00 3.03 0.00 0.00 57.50 60.17 2fwo n TRP 60 Cb 0.02 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.26 2fwo n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2fwo s SER 61 N -3.45 7.23 0.70 -0.99 1.04 -1.26 -4.58 113.70 112.39 2fwo s SER 61 Ca 0.00 2.18 -0.11 0.00 0.48 0.00 0.00 55.95 58.51 2fwo s SER 61 Cb 0.00 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.52 2fwo s SER 61 CO 0.00 -0.23 1.06 -0.36 0.98 0.00 0.00 173.24 174.69 2fwo s PHE 62 N -0.50 3.06 -0.07 5.02 0.08 -0.96 -0.41 117.98 124.19 2fwo s PHE 62 Ca 0.48 1.43 -0.17 0.00 0.12 0.00 0.00 56.93 58.79 2fwo s PHE 62 Cb -0.31 -2.90 0.04 0.00 -0.57 0.00 0.00 43.02 39.28 2fwo s PHE 62 CO 0.37 -1.29 0.41 1.52 -0.10 0.00 0.00 175.22 176.13 2fwo s TYR 63 N -3.03 -0.36 0.18 0.36 -0.85 0.31 -1.29 117.35 112.67 2fwo s TYR 63 Ca 0.58 0.72 -0.15 0.00 -0.52 0.00 0.00 57.07 57.71 2fwo s TYR 63 Cb -0.14 0.17 0.02 0.00 0.38 0.00 0.00 41.96 42.38 2fwo s TYR 63 CO 0.55 -0.36 0.45 -1.50 -1.52 0.00 0.00 175.55 173.17 2fwo s ILE 64 N -0.74 0.04 -0.01 -3.49 2.07 -0.38 -2.28 121.20 116.42 2fwo s ILE 64 Ca -0.08 -0.96 0.00 0.00 -1.41 0.00 0.00 60.65 58.20 2fwo s ILE 64 Cb -0.04 -1.64 0.01 0.00 0.13 0.00 0.00 42.46 40.92 2fwo s ILE 64 CO 0.04 -0.18 0.01 -0.22 -1.91 0.00 0.00 174.94 172.68 2fwo s LEU 65 N -2.90 1.58 0.03 8.50 2.96 -1.26 -1.52 118.68 126.08 2fwo s LEU 65 Ca 0.11 0.02 0.06 0.00 -0.22 0.00 0.00 54.13 54.10 2fwo s LEU 65 Cb 0.00 -0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.63 2fwo s LEU 65 CO -0.02 -0.06 -0.14 0.00 -1.32 0.00 0.00 176.35 174.82 2fwo s ALA 66 N 0.48 2.76 0.22 5.97 0.00 0.03 -1.87 121.76 129.36 2fwo s ALA 66 Ca -0.04 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.71 2fwo s ALA 66 Cb -0.06 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 2fwo s ALA 66 CO -0.01 0.59 0.33 -3.38 0.00 0.00 0.00 175.76 173.28 2fwo s HIS 67 N -0.96 0.64 -0.02 0.00 -3.43 -0.75 -0.45 115.29 110.31 2fwo s HIS 67 Ca 0.16 -0.95 -0.30 0.00 -0.80 0.00 0.00 55.06 53.17 2fwo s HIS 67 Cb -0.11 -0.11 0.11 0.00 -1.43 0.00 0.00 32.58 31.04 2fwo s HIS 67 CO 0.06 -0.83 1.01 -0.08 -2.00 0.00 0.00 174.74 172.91 2fwo s THR 68 N -4.06 0.00 0.23 -5.38 -1.32 -0.54 -1.85 115.64 102.73 2fwo s THR 68 Ca 0.27 -0.14 -0.29 0.00 -1.21 0.00 0.00 61.69 60.33 2fwo s THR 68 Cb 0.03 -1.26 -0.09 0.00 -1.51 0.00 0.00 72.50 69.67 2fwo s THR 68 CO 0.08 0.00 0.91 -1.61 -2.21 0.00 0.00 174.62 171.79 2fwo s GLU 69 N -2.93 4.80 -0.28 7.08 2.02 -1.26 -1.37 118.70 126.75 2fwo s GLU 69 Ca 0.08 1.42 -0.25 0.00 0.02 0.00 0.00 54.97 56.24 2fwo s GLU 69 Cb -0.01 -3.26 0.11 0.00 0.10 0.00 0.00 34.13 31.07 2fwo s GLU 69 CO -0.06 0.52 0.97 -0.59 0.02 0.00 0.00 175.26 176.13 2fwo s PHE 70 N -1.18 -0.54 -0.46 1.61 -0.71 -1.00 -4.86 117.98 110.83 2fwo s PHE 70 Ca 0.40 1.31 -0.07 0.00 -1.04 0.00 0.00 56.93 57.53 2fwo s PHE 70 Cb -0.25 0.35 0.12 0.00 -1.21 0.00 0.00 43.02 42.03 2fwo s PHE 70 CO 0.31 -0.26 0.31 0.99 -1.34 0.00 0.00 175.22 175.23 2fwo s THR 71 N 0.30 3.92 0.47 -4.49 2.01 -1.26 -0.50 115.64 116.09 2fwo s THR 71 Ca 0.02 -1.94 -0.24 0.00 0.31 0.00 0.00 61.69 59.84 2fwo s THR 71 Cb -0.05 -3.61 -0.07 0.00 0.01 0.00 0.00 72.50 68.77 2fwo s THR 71 CO -0.05 -0.76 1.38 -2.16 -0.69 0.00 0.00 174.62 172.34 2fwo s PRO 72 N 1.21 3.61 0.38 4.92 0.04 -1.26 -4.71 135.00 139.19 2fwo s PRO 72 Ca 0.07 2.30 0.05 0.00 0.04 0.00 0.00 61.00 63.46 2fwo s PRO 72 Cb -0.25 -2.57 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 2fwo s PRO 72 CO -0.02 -0.84 0.17 -0.08 0.04 0.00 0.00 177.00 176.27 2fwo s THR 73 N -1.25 0.42 -1.24 1.26 -1.32 -1.26 -0.43 115.64 111.82 2fwo s THR 73 Ca 0.63 -2.00 0.28 0.00 -1.21 0.00 0.00 61.69 59.38 2fwo s THR 73 Cb -0.41 -2.39 0.24 0.00 -1.51 0.00 0.00 72.50 68.43 2fwo s THR 73 CO 0.52 0.00 1.73 -0.62 -2.21 0.00 0.00 174.62 174.04 2fwo n GLU 74 N -0.82 0.25 -0.08 7.08 1.02 -1.26 -4.18 120.64 122.65 2fwo n GLU 74 Ca -0.02 -0.09 -0.10 0.00 -0.02 0.00 0.00 57.16 56.92 2fwo n GLU 74 Cb 0.64 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.47 2fwo n GLU 74 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2fwo n THR 75 N -1.29 0.99 -2.66 2.62 -2.24 -1.26 -5.01 114.28 105.42 2fwo n THR 75 Ca 0.09 -0.46 -0.38 0.00 -2.27 0.00 0.00 64.05 61.03 2fwo n THR 75 Cb 0.32 -0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 67.56 2fwo n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2fwo s ASP 76 N -5.31 7.19 0.15 3.42 1.01 -1.26 -5.04 116.67 116.82 2fwo s ASP 76 Ca -0.17 1.98 0.06 0.00 0.71 0.00 0.00 52.55 55.13 2fwo s ASP 76 Cb 0.05 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2fwo s ASP 76 CO 0.47 -0.18 0.01 0.42 0.21 0.00 0.00 175.17 176.10 2fwo s THR 77 N -1.51 3.87 0.04 -1.27 -4.23 -1.26 -4.76 115.64 106.53 2fwo s THR 77 Ca 0.50 -1.26 0.01 0.00 -1.18 0.00 0.00 61.69 59.77 2fwo s THR 77 Cb -0.23 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 2fwo s THR 77 CO 0.29 -0.04 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.96 2fwo s TYR 78 N -1.59 0.56 0.11 3.99 2.02 -1.26 -0.14 117.35 121.03 2fwo s TYR 78 Ca 0.27 -0.60 -0.25 0.00 -0.37 0.00 0.00 57.07 56.12 2fwo s TYR 78 Cb -0.10 -0.35 0.07 0.00 -0.40 0.00 0.00 41.96 41.18 2fwo s TYR 78 CO 0.19 -0.15 0.80 0.00 -1.57 0.00 0.00 175.55 174.82 2fwo s ALA 79 N -1.86 -1.65 -0.22 3.71 0.00 -0.78 -1.80 121.76 119.16 2fwo s ALA 79 Ca -0.08 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.40 2fwo s ALA 79 Cb -0.07 0.65 0.05 0.00 0.00 0.00 0.00 23.12 23.76 2fwo s ALA 79 CO -0.01 -0.83 -0.10 0.00 0.00 0.00 0.00 175.76 174.81 2fwo s ARG 81 N 1.29 4.18 -0.09 0.00 3.52 0.13 -2.14 118.95 125.83 2fwo s ARG 81 Ca -0.04 0.18 0.03 0.00 -0.13 0.00 0.00 55.73 55.76 2fwo s ARG 81 Cb -0.18 -3.53 0.01 0.00 -1.56 0.00 0.00 34.95 29.69 2fwo s ARG 81 CO -0.07 -0.02 -0.17 0.08 -0.81 0.00 0.00 175.30 174.32 2fwo s VAL 82 N 1.24 1.54 -0.14 7.11 1.01 0.23 -0.63 120.40 130.77 2fwo s VAL 82 Ca 0.18 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 2fwo s VAL 82 Cb -0.15 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2fwo s VAL 82 CO 0.08 0.45 -0.11 -0.75 0.00 0.00 0.00 175.10 174.77 2fwo s LYS 83 N 0.70 3.44 -0.15 2.72 2.20 -0.44 -0.16 119.74 128.05 2fwo s LYS 83 Ca -0.13 -0.65 -0.17 0.00 -0.36 0.00 0.00 55.97 54.67 2fwo s LYS 83 Cb -0.16 -2.71 0.04 0.00 -1.51 0.00 0.00 37.83 33.49 2fwo s LYS 83 CO 0.03 0.20 0.46 -1.58 -0.36 0.00 0.00 175.35 174.10 2fwo s HIS 84 N 0.42 -0.48 0.34 4.03 2.46 -1.26 -1.84 115.29 118.95 2fwo s HIS 84 Ca -0.08 1.14 0.13 0.00 0.47 0.00 0.00 55.06 56.71 2fwo s HIS 84 Cb -0.15 0.18 0.97 0.00 -0.13 0.00 0.00 32.58 33.44 2fwo s HIS 84 CO 0.04 -0.28 1.73 -0.44 -2.47 0.00 0.00 174.74 173.33 2fwo h ASP 85 N 5.13 0.60 0.00 9.88 5.19 -1.93 0.15 116.42 135.43 2fwo h ASP 85 Ca -0.27 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 2fwo h ASP 85 Cb 1.18 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2fwo h ASP 85 CO 0.24 0.08 0.19 0.77 -3.12 0.00 0.00 179.24 177.40 2fwo h SER 86 N 0.51 0.00 -1.85 6.45 4.64 -1.87 -3.42 113.55 118.01 2fwo h SER 86 Ca 0.64 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.43 2fwo h SER 86 Cb 1.36 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.38 2fwo h SER 86 CO -0.44 0.00 -0.52 -0.04 -0.87 0.00 0.00 176.83 174.96 2fwo s MET 87 N -4.06 2.41 -0.17 4.77 -1.94 0.51 -4.89 119.30 115.92 2fwo s MET 87 Ca -0.04 -1.54 -0.23 0.00 -1.71 0.00 0.00 55.69 52.18 2fwo s MET 87 Cb 0.10 -2.21 -0.22 0.00 2.01 0.00 0.00 34.83 34.51 2fwo s MET 87 CO 0.32 0.08 0.43 0.00 -0.01 0.00 0.00 175.02 175.84 2fwo h ALA 88 N 1.49 0.18 -1.97 3.03 0.00 -1.82 -3.46 119.26 116.71 2fwo h ALA 88 Ca -0.44 -0.99 -0.59 0.00 0.00 0.00 0.00 54.91 52.89 2fwo h ALA 88 Cb 1.25 0.49 -0.11 0.00 0.00 0.00 0.00 17.79 19.42 2fwo h ALA 88 CO 0.63 0.53 -0.64 -1.21 0.00 0.00 0.00 179.25 178.55 2fwo s GLU 89 N -2.34 2.03 0.41 0.00 2.02 -1.26 -5.07 118.70 114.48 2fwo s GLU 89 Ca -0.25 -1.75 -0.25 0.00 0.02 0.00 0.00 54.97 52.75 2fwo s GLU 89 Cb 0.03 -1.91 -0.08 0.00 0.10 0.00 0.00 34.13 32.27 2fwo s GLU 89 CO 0.65 0.17 1.16 -2.14 0.02 0.00 0.00 175.26 175.12 2fwo s PRO 90 N -3.68 4.01 -0.12 0.39 0.02 -1.26 -4.78 135.00 129.57 2fwo s PRO 90 Ca 0.34 1.79 -0.05 0.00 0.02 0.00 0.00 61.00 63.10 2fwo s PRO 90 Cb -0.01 -2.61 -0.04 0.00 0.02 0.00 0.00 34.50 31.87 2fwo s PRO 90 CO 0.19 -0.35 0.06 0.21 -0.33 0.00 0.00 177.00 176.78 2fwo s LYS 91 N -2.40 3.38 0.05 5.54 2.20 0.77 -4.90 119.74 124.39 2fwo s LYS 91 Ca 0.58 -0.31 0.09 0.00 -0.36 0.00 0.00 55.97 55.97 2fwo s LYS 91 Cb -0.29 -3.02 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 2fwo s LYS 91 CO 0.37 0.61 -0.24 0.99 -0.36 0.00 0.00 175.35 176.71 2fwo s THR 92 N -0.58 1.98 -0.09 3.43 2.01 -1.26 0.77 115.64 121.90 2fwo s THR 92 Ca 0.11 -1.36 -0.03 0.00 0.31 0.00 0.00 61.69 60.72 2fwo s THR 92 Cb -0.12 -1.71 0.04 0.00 0.01 0.00 0.00 72.50 70.72 2fwo s THR 92 CO 0.02 0.28 0.07 -0.69 -0.69 0.00 0.00 174.62 173.61 2fwo s VAL 93 N -0.83 -0.09 0.31 3.82 1.01 -0.91 -4.96 120.40 118.75 2fwo s VAL 93 Ca 0.10 0.22 -0.26 0.00 0.00 0.00 0.00 61.98 62.04 2fwo s VAL 93 Cb -0.10 -0.30 -0.10 0.00 0.00 0.00 0.00 36.38 35.88 2fwo s VAL 93 CO 0.02 0.02 0.93 -0.31 0.00 0.00 0.00 175.10 175.76 2fwo s TYR 94 N 2.15 3.72 0.14 5.22 1.51 -1.26 -1.70 117.35 127.12 2fwo s TYR 94 Ca 0.04 1.76 -0.30 0.00 -1.01 0.00 0.00 57.07 57.56 2fwo s TYR 94 Cb -0.13 -2.90 -0.07 0.00 -0.11 0.00 0.00 41.96 38.74 2fwo s TYR 94 CO -0.05 0.24 1.17 -0.46 -1.11 0.00 0.00 175.55 175.34 2fwo s TRP 95 N -1.57 3.48 -0.11 2.71 -0.00 -0.74 -4.91 118.94 117.79 2fwo s TRP 95 Ca 0.49 1.43 -0.00 0.00 -0.00 0.00 0.00 56.10 58.02 2fwo s TRP 95 Cb -0.19 -3.38 -0.02 0.00 -0.00 0.00 0.00 33.47 29.88 2fwo s TRP 95 CO 0.24 -1.05 -0.09 0.34 -0.00 0.00 0.00 176.95 176.39 2fwo s ASP 96 N 0.41 4.37 0.55 5.86 -1.08 -1.26 -4.82 116.67 120.70 2fwo s ASP 96 Ca 0.54 -0.19 0.23 0.00 -0.52 0.00 0.00 52.55 52.61 2fwo s ASP 96 Cb -0.30 -1.45 1.47 0.00 -1.46 0.00 0.00 42.92 41.18 2fwo s ASP 96 CO 0.33 0.24 2.12 0.03 0.52 0.00 0.00 175.17 178.41 2fwo h ARG 97 N 6.17 0.00 -0.36 4.34 3.08 -1.97 -2.09 114.38 123.55 2fwo h ARG 97 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2fwo h ARG 97 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2fwo h ARG 97 CO 0.56 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.21 2fwo n ASP 98 N -4.24 3.12 -0.45 7.04 8.00 -1.26 -4.90 116.55 123.86 2fwo n ASP 98 Ca 0.01 -1.95 0.06 0.00 0.71 0.00 0.00 54.79 53.62 2fwo n ASP 98 Cb 0.26 -0.23 0.05 0.00 -0.02 0.00 0.00 41.12 41.17 2fwo n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04