#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dsm s VAL 2 N 0.00 5.38 -1.13 1.12 1.01 -1.26 -5.02 120.40 120.51 2dsm s VAL 2 Ca 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.71 2dsm s VAL 2 Cb 0.00 -3.56 0.07 0.00 0.00 0.00 0.00 36.38 32.89 2dsm s VAL 2 CO 0.00 0.31 1.54 -1.61 0.00 0.00 0.00 175.10 175.34 2dsm s GLU 3 N -1.95 3.76 -0.35 2.72 8.01 -1.26 -4.96 118.70 124.67 2dsm s GLU 3 Ca 0.28 -1.55 -0.21 0.00 0.01 0.00 0.00 54.97 53.50 2dsm s GLU 3 Cb -0.13 -5.39 0.00 0.00 -4.31 0.00 0.00 34.13 24.31 2dsm s GLU 3 CO 0.19 -2.18 0.68 -0.80 0.01 0.00 0.00 175.26 173.15 2dsm s ASN 4 N 4.53 6.47 -0.72 -0.19 -0.87 -1.26 -5.01 114.94 117.88 2dsm s ASN 4 Ca 0.48 0.24 -0.25 0.00 -1.57 0.00 0.00 52.86 51.76 2dsm s ASN 4 Cb 0.01 -2.35 0.05 0.00 -0.02 0.00 0.00 41.25 38.94 2dsm s ASN 4 CO -0.03 -0.62 1.15 -2.16 -2.57 0.00 0.00 177.10 172.88 2dsm s PRO 5 N 2.81 3.18 -0.88 -0.60 0.04 -1.26 -4.97 135.00 133.31 2dsm s PRO 5 Ca 0.26 -0.54 -0.22 0.00 0.04 0.00 0.00 61.00 60.54 2dsm s PRO 5 Cb -0.14 -4.25 0.08 0.00 0.04 0.00 0.00 34.50 30.23 2dsm s PRO 5 CO 0.15 -2.01 1.20 0.00 0.04 0.00 0.00 177.00 176.38 2dsm s MET 6 N 4.97 3.45 0.33 4.56 0.23 -1.26 -4.80 119.30 126.78 2dsm s MET 6 Ca 0.30 -1.22 0.15 0.00 -1.03 0.00 0.00 55.69 53.89 2dsm s MET 6 Cb -0.11 -4.82 0.51 0.00 -1.53 0.00 0.00 34.83 28.87 2dsm s MET 6 CO 0.12 -1.95 1.66 0.28 -2.03 0.00 0.00 175.02 173.10 2dsm h VAL 7 N 6.16 1.11 -0.79 5.16 2.07 -2.06 -3.45 116.25 124.46 2dsm h VAL 7 Ca 0.03 -1.82 -0.52 0.00 0.82 0.00 0.00 66.70 65.20 2dsm h VAL 7 Cb 1.03 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 2dsm h VAL 7 CO 1.23 0.48 -0.21 0.27 0.02 0.00 0.00 177.57 179.36 2dsm s ILE 8 N -3.56 2.02 0.67 4.57 -4.36 -1.26 -5.11 121.20 114.17 2dsm s ILE 8 Ca -0.00 -1.23 -0.14 0.00 -0.26 0.00 0.00 60.65 59.02 2dsm s ILE 8 Cb 0.11 -2.25 0.00 0.00 1.25 0.00 0.00 42.46 41.57 2dsm s ILE 8 CO 0.72 0.00 1.08 0.54 0.24 0.00 0.00 174.94 177.52 2dsm s ASN 9 N -4.45 5.24 0.03 4.36 2.20 -1.26 -4.98 114.94 116.07 2dsm s ASN 9 Ca 0.49 1.85 -0.09 0.00 -0.94 0.00 0.00 52.86 54.17 2dsm s ASN 9 Cb -0.04 -2.53 -0.31 0.00 -2.00 0.00 0.00 41.25 36.36 2dsm s ASN 9 CO 0.30 -1.54 0.96 0.78 -2.94 0.00 0.00 177.10 174.67 2dsm h ASN 10 N -0.17 0.60 -0.67 3.54 4.21 -1.99 -3.36 115.58 117.73 2dsm h ASN 10 Ca -0.46 -0.71 -0.38 0.00 1.21 0.00 0.00 56.30 55.96 2dsm h ASN 10 Cb 1.23 -0.20 -0.14 0.00 -1.12 0.00 0.00 38.32 38.10 2dsm h ASN 10 CO 0.55 1.57 0.11 0.79 -1.29 0.00 0.00 177.43 179.16 2dsm n TRP 11 N -3.59 1.01 -0.53 1.19 7.02 -1.26 -4.40 117.44 116.88 2dsm n TRP 11 Ca -0.16 -1.78 -0.11 0.00 -1.02 0.00 0.00 57.50 54.44 2dsm n TRP 11 Cb 1.07 -1.45 0.18 0.00 -2.42 0.00 0.00 31.31 28.68 2dsm n TRP 11 CO 0.00 0.00 0.00 -2.39 -2.02 0.00 0.00 177.69 173.28 2dsm n HIS 12 N 1.46 2.00 0.79 -5.99 1.44 -1.26 -4.19 115.22 109.48 2dsm n HIS 12 Ca 0.46 -1.19 0.10 0.00 -2.01 0.00 0.00 57.72 55.09 2dsm n HIS 12 Cb 0.68 -0.65 0.29 0.00 0.12 0.00 0.00 29.99 30.43 2dsm n HIS 12 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2dsm n ASP 13 N -0.35 2.41 -4.84 4.39 2.03 -1.26 -4.92 116.55 114.02 2dsm n ASP 13 Ca 0.36 -1.86 -0.32 0.00 0.52 0.00 0.00 54.79 53.49 2dsm n ASP 13 Cb 1.22 -0.19 -0.06 0.00 -0.72 0.00 0.00 41.12 41.37 2dsm n ASP 13 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2dsm s LYS 14 N -1.62 4.06 0.07 -0.67 1.02 -1.26 -5.06 119.74 116.29 2dsm s LYS 14 Ca 0.34 0.84 -0.10 0.00 0.02 0.00 0.00 55.97 57.07 2dsm s LYS 14 Cb 0.19 -2.32 -0.06 0.00 -0.52 0.00 0.00 37.83 35.13 2dsm s LYS 14 CO 0.27 0.04 0.39 -0.51 -0.92 0.00 0.00 175.35 174.63 2dsm s LEU 15 N -3.20 4.36 0.19 3.17 1.02 -1.26 -5.09 118.68 117.87 2dsm s LEU 15 Ca 0.57 0.79 -0.09 0.00 0.02 0.00 0.00 54.13 55.42 2dsm s LEU 15 Cb -0.10 -2.94 -0.07 0.00 0.02 0.00 0.00 46.19 43.11 2dsm s LEU 15 CO 0.18 0.19 0.50 0.42 0.02 0.00 0.00 176.35 177.65 2dsm s THR 16 N -1.37 5.00 0.00 5.49 -4.23 -1.26 -5.05 115.64 114.22 2dsm s THR 16 Ca 0.32 0.38 -0.02 0.00 -1.18 0.00 0.00 61.69 61.20 2dsm s THR 16 Cb -0.14 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 2dsm s THR 16 CO 0.18 0.00 0.65 -0.33 -0.54 0.00 0.00 174.62 174.58 2dsm h GLU 17 N 2.75 -0.06 0.00 3.99 4.39 -1.98 -3.48 114.58 120.19 2dsm h GLU 17 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2dsm h GLU 17 Cb 1.17 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2dsm h GLU 17 CO 0.70 -0.04 0.00 2.41 -1.16 0.00 0.00 179.01 180.92 2dsm n THR 18 N -2.23 0.00 -3.75 1.13 -1.04 -1.26 -5.00 114.28 102.13 2dsm n THR 18 Ca -0.01 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 2dsm n THR 18 Cb 0.02 -0.07 -0.11 0.00 -1.82 0.00 0.00 70.33 68.35 2dsm n THR 18 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2dsm n ASP 19 N -0.23 3.23 -3.98 8.00 2.03 -1.26 -4.96 116.55 119.38 2dsm n ASP 19 Ca 0.00 -3.28 -0.31 0.00 0.52 0.00 0.00 54.79 51.72 2dsm n ASP 19 Cb 0.00 -0.73 -0.12 0.00 -0.72 0.00 0.00 41.12 39.55 2dsm n ASP 19 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2dsm s VAL 20 N -1.78 2.97 0.43 5.18 1.01 -1.26 -4.70 120.40 122.26 2dsm s VAL 20 Ca 0.30 -3.44 0.05 0.00 0.00 0.00 0.00 61.98 58.89 2dsm s VAL 20 Cb 0.02 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.34 2dsm s VAL 20 CO -0.12 -0.87 0.02 0.00 0.00 0.00 0.00 175.10 174.13 2dsm s GLN 21 N -0.50 2.00 0.08 2.72 1.03 -1.21 -4.93 119.66 118.86 2dsm s GLN 21 Ca 0.19 -2.18 0.06 0.00 0.04 0.00 0.00 55.36 53.47 2dsm s GLN 21 Cb -0.20 -1.52 -0.03 0.00 0.03 0.00 0.00 33.01 31.29 2dsm s GLN 21 CO -0.04 -0.16 -0.15 0.42 -2.54 0.00 0.00 175.29 172.82 2dsm s ILE 22 N -2.82 1.22 0.02 3.63 1.01 -1.26 -0.05 121.20 122.96 2dsm s ILE 22 Ca 0.27 -1.40 -0.00 0.00 0.00 0.00 0.00 60.65 59.52 2dsm s ILE 22 Cb 0.07 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.35 2dsm s ILE 22 CO 0.13 -0.23 0.03 -0.90 0.00 0.00 0.00 174.94 173.97 2dsm n ASP 23 N 1.14 0.02 0.21 3.58 5.75 -1.26 -4.65 116.55 121.34 2dsm n ASP 23 Ca -0.20 -1.02 0.15 0.00 -0.01 0.00 0.00 54.79 53.70 2dsm n ASP 23 Cb 0.54 -0.02 0.57 0.00 -1.03 0.00 0.00 41.12 41.18 2dsm n ASP 23 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2dsm h PHE 24 N -0.70 0.00 0.04 2.11 3.57 -0.87 -3.03 116.94 118.06 2dsm h PHE 24 Ca -0.01 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.26 2dsm h PHE 24 Cb 0.03 0.00 0.02 0.00 2.79 0.00 0.00 35.95 38.79 2dsm h PHE 24 CO 0.00 0.00 -0.91 -0.92 -2.23 0.00 0.00 178.31 174.25 2dsm h TYR 25 N 0.00 0.84 0.00 0.41 3.20 -1.93 -3.49 116.97 116.00 2dsm h TYR 25 Ca 0.00 -0.49 0.00 0.00 3.14 0.00 0.00 58.73 61.38 2dsm h TYR 25 Cb 0.50 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.68 2dsm h TYR 25 CO 0.00 1.32 0.00 0.41 -1.64 0.00 0.00 178.16 178.25 2dsm n GLY 26 N 1.20 1.51 0.00 1.82 0.00 -1.15 -5.08 105.19 103.50 2dsm n GLY 26 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2dsm n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dsm n ASP 27 N 0.00 0.00 -3.65 1.61 2.03 -1.26 -5.02 116.55 110.26 2dsm n ASP 27 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 2dsm n ASP 27 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 2dsm n ASP 27 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2dsm s GLU 28 N 0.00 0.19 -0.20 -0.67 2.12 -1.26 -4.95 118.70 113.93 2dsm s GLU 28 Ca 0.00 0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.57 2dsm s GLU 28 Cb 0.00 0.09 0.05 0.00 0.26 0.00 0.00 34.13 34.52 2dsm s GLU 28 CO 0.00 -0.02 -0.08 0.08 -0.54 0.00 0.00 175.26 174.70 2dsm s VAL 29 N 0.20 1.48 0.33 3.70 1.01 0.93 -4.84 120.40 123.20 2dsm s VAL 29 Ca 0.05 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.15 2dsm s VAL 29 Cb -0.05 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2dsm s VAL 29 CO -0.13 0.09 0.03 0.42 0.00 0.00 0.00 175.10 175.51 2dsm s THR 30 N 1.46 2.83 -1.77 3.92 -4.23 -1.26 -3.28 115.64 113.30 2dsm s THR 30 Ca -0.02 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 2dsm s THR 30 Cb -0.17 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.85 2dsm s THR 30 CO -0.08 -0.23 0.11 -2.65 -0.54 0.00 0.00 174.62 171.24 2dsm n PRO 31 N -0.97 0.00 0.00 3.99 -0.02 -1.26 -0.62 135.00 136.12 2dsm n PRO 31 Ca -0.04 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.54 2dsm n PRO 31 Cb 0.61 -1.13 -0.03 0.00 -0.02 0.00 0.00 33.50 32.94 2dsm n PRO 31 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2dsm n VAL 32 N -0.57 0.00 -4.47 -1.45 0.24 -1.26 -4.95 118.33 105.87 2dsm n VAL 32 Ca 0.00 -0.21 -0.24 0.00 -2.04 0.00 0.00 64.34 61.85 2dsm n VAL 32 Cb 0.00 1.20 -0.10 0.00 -1.47 0.00 0.00 33.84 33.47 2dsm n VAL 32 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2dsm s ASP 33 N -2.57 3.60 -0.26 -1.34 2.15 0.21 -5.12 116.67 113.36 2dsm s ASP 33 Ca 0.16 -1.04 -0.14 0.00 0.43 0.00 0.00 52.55 51.96 2dsm s ASP 33 Cb 0.17 -0.31 -0.04 0.00 -0.30 0.00 0.00 42.92 42.45 2dsm s ASP 33 CO 0.63 0.02 0.34 -0.62 -0.17 0.00 0.00 175.17 175.37 2dsm s ASP 34 N -3.52 6.25 0.06 -0.34 -1.08 -1.26 -4.82 116.67 111.96 2dsm s ASP 34 Ca 0.30 0.28 -0.03 0.00 -0.52 0.00 0.00 52.55 52.58 2dsm s ASP 34 Cb -0.05 -2.20 -0.03 0.00 -1.46 0.00 0.00 42.92 39.19 2dsm s ASP 34 CO 0.15 -0.13 0.04 -0.72 0.52 0.00 0.00 175.17 175.03 2dsm s TYR 35 N 1.82 0.39 0.01 -5.34 1.13 -1.26 -0.75 117.35 113.35 2dsm s TYR 35 Ca 0.14 -0.90 0.03 0.00 -1.41 0.00 0.00 57.07 54.93 2dsm s TYR 35 Cb -0.15 -0.28 -0.01 0.00 -1.10 0.00 0.00 41.96 40.42 2dsm s TYR 35 CO 0.09 -0.43 -0.08 0.08 -2.51 0.00 0.00 175.55 172.70 2dsm s VAL 36 N -3.82 0.64 -0.25 -3.49 1.01 0.53 -4.85 120.40 110.17 2dsm s VAL 36 Ca 0.06 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 2dsm s VAL 36 Cb 0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2dsm s VAL 36 CO -0.10 0.05 0.13 -0.63 0.00 0.00 0.00 175.10 174.55 2dsm s ILE 37 N -0.46 4.88 -0.91 2.22 1.01 -1.26 -0.91 121.20 125.77 2dsm s ILE 37 Ca 0.01 0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.51 2dsm s ILE 37 Cb -0.05 -3.29 0.18 0.00 0.01 0.00 0.00 42.46 39.31 2dsm s ILE 37 CO 0.00 0.32 0.99 -0.62 0.00 0.00 0.00 174.94 175.62 2dsm s ASP 38 N 1.46 6.74 0.00 3.58 2.15 0.17 -4.66 116.67 126.11 2dsm s ASP 38 Ca 0.06 -2.43 0.00 0.00 0.43 0.00 0.00 52.55 50.61 2dsm s ASP 38 Cb -0.15 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2dsm s ASP 38 CO 0.06 -0.80 0.00 0.61 -0.17 0.00 0.00 175.17 174.87 2dsm n GLY 39 N 4.66 1.47 0.00 2.66 0.00 -1.26 -2.93 105.19 109.79 2dsm n GLY 39 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2dsm n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dsm n GLY 40 N 0.00 0.03 3.78 -0.02 0.00 -1.26 -4.45 105.19 103.26 2dsm n GLY 40 Ca 0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2dsm n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dsm s GLU 41 N -0.75 4.62 -0.13 1.61 0.41 -1.15 -5.04 118.70 118.27 2dsm s GLU 41 Ca 0.00 1.28 -0.10 0.00 -0.41 0.00 0.00 54.97 55.74 2dsm s GLU 41 Cb 0.00 -3.05 -0.05 0.00 -1.78 0.00 0.00 34.13 29.26 2dsm s GLU 41 CO 0.00 0.43 0.21 0.42 -0.49 0.00 0.00 175.26 175.83 2dsm s ILE 42 N -1.38 5.37 -0.02 -1.63 1.01 -1.26 -0.66 121.20 122.63 2dsm s ILE 42 Ca 0.44 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.46 2dsm s ILE 42 Cb -0.21 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.77 2dsm s ILE 42 CO 0.26 0.53 -0.01 -0.63 0.00 0.00 0.00 174.94 175.09 2dsm s ILE 43 N -0.43 0.19 0.72 2.92 1.09 -0.09 -0.11 121.20 125.49 2dsm s ILE 43 Ca 0.15 0.04 -0.16 0.00 -1.10 0.00 0.00 60.65 59.58 2dsm s ILE 43 Cb -0.13 -0.25 0.02 0.00 -1.06 0.00 0.00 42.46 41.04 2dsm s ILE 43 CO 0.04 0.13 1.18 0.18 -0.10 0.00 0.00 174.94 176.36 2dsm n LEU 44 N 3.88 4.86 0.20 2.97 4.77 -1.26 -0.35 117.00 132.08 2dsm n LEU 44 Ca -0.24 0.71 0.14 0.00 -0.03 0.00 0.00 56.01 56.60 2dsm n LEU 44 Cb 0.52 -1.50 0.70 0.00 -2.33 0.00 0.00 43.42 40.81 2dsm n LEU 44 CO 0.23 -1.49 0.92 0.03 -1.33 0.00 0.00 177.39 175.75 2dsm h ARG 45 N -0.11 0.00 0.07 3.23 2.47 -1.27 0.20 114.38 118.97 2dsm h ARG 45 Ca -0.49 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 57.96 2dsm h ARG 45 Cb 1.33 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.67 2dsm h ARG 45 CO 0.49 0.00 -1.14 1.49 0.56 0.00 0.00 179.97 181.37 2dsm h GLU 46 N 0.00 0.57 -0.22 0.04 4.57 -1.90 -3.31 114.58 114.34 2dsm h GLU 46 Ca 0.00 -0.71 0.00 0.00 -1.18 0.00 0.00 59.36 57.47 2dsm h GLU 46 Cb 0.15 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2dsm h GLU 46 CO 0.00 1.30 0.00 -1.71 -1.18 0.00 0.00 179.01 177.42 2dsm n ASN 47 N -3.77 2.76 -0.31 1.04 5.15 -0.81 -4.56 115.26 114.75 2dsm n ASN 47 Ca -0.11 -1.81 -0.04 0.00 -0.60 0.00 0.00 54.58 52.02 2dsm n ASN 47 Cb 0.94 -0.14 0.08 0.00 -0.53 0.00 0.00 39.78 40.13 2dsm n ASN 47 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2dsm h LEU 48 N 3.09 1.00 0.31 1.20 5.85 -0.72 -2.89 115.31 123.15 2dsm h LEU 48 Ca 0.00 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2dsm h LEU 48 Cb 0.74 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2dsm h LEU 48 CO 0.00 0.75 -0.28 -0.33 -0.34 0.00 0.00 178.44 178.25 2dsm h GLU 49 N 1.15 -0.58 0.02 1.25 5.08 -1.80 -0.63 114.58 119.07 2dsm h GLU 49 Ca 0.31 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.73 2dsm h GLU 49 Cb -0.08 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2dsm h GLU 49 CO -0.06 -0.39 -0.23 0.00 -1.00 0.00 0.00 179.01 177.33 2dsm h ARG 50 N -0.61 -0.36 -0.53 2.33 -0.00 -1.87 0.86 114.38 114.20 2dsm h ARG 50 Ca -0.02 0.02 0.02 0.00 -0.50 0.00 0.00 59.98 59.51 2dsm h ARG 50 Cb 0.55 0.08 -0.03 0.00 0.00 0.00 0.00 29.97 30.56 2dsm h ARG 50 CO -0.04 -0.24 0.32 -0.92 0.00 0.00 0.00 179.97 179.09 2dsm h TYR 51 N -0.38 0.61 -0.07 3.04 3.20 -1.36 0.07 116.97 122.08 2dsm h TYR 51 Ca 0.05 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2dsm h TYR 51 Cb 0.45 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 2dsm h TYR 51 CO -0.26 0.35 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.54 2dsm h LEU 52 N 0.65 0.13 -1.89 2.82 3.38 -0.84 0.33 115.31 119.89 2dsm h LEU 52 Ca 0.21 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2dsm h LEU 52 Cb 0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2dsm h LEU 52 CO -0.09 0.42 -0.09 0.03 0.09 0.00 0.00 178.44 178.81 2dsm h ARG 53 N -0.17 0.00 0.01 1.13 3.08 -0.57 0.02 114.38 117.88 2dsm h ARG 53 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2dsm h ARG 53 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2dsm h ARG 53 CO 0.00 0.09 -0.00 0.93 -1.07 0.00 0.00 179.97 179.92 2dsm h GLU 54 N 0.00 -0.01 0.00 0.04 3.07 -0.81 -3.45 114.58 113.42 2dsm h GLU 54 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2dsm h GLU 54 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2dsm h GLU 54 CO 0.01 0.79 -0.21 0.94 -1.40 0.00 0.00 179.01 179.15 2dsm n GLN 55 N -4.66 0.11 -4.11 2.33 7.27 0.12 -4.98 117.38 113.46 2dsm n GLN 55 Ca -0.08 0.04 -0.32 0.00 0.07 0.00 0.00 57.00 56.71 2dsm n GLN 55 Cb 0.38 -0.63 -0.02 0.00 2.41 0.00 0.00 30.24 32.39 2dsm n GLN 55 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2dsm n LEU 56 N -2.95 -1.93 -0.33 1.69 4.77 -0.05 -4.88 117.00 113.32 2dsm n LEU 56 Ca -0.03 -0.99 0.04 0.00 -0.03 0.00 0.00 56.01 55.00 2dsm n LEU 56 Cb 0.11 -2.17 0.05 0.00 -2.33 0.00 0.00 43.42 39.08 2dsm n LEU 56 CO 0.04 0.36 0.41 0.61 -1.33 0.00 0.00 177.39 177.48 2dsm n GLY 57 N -1.63 -0.02 7.00 -0.72 0.00 -1.26 -5.09 105.19 103.47 2dsm n GLY 57 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2dsm n GLY 57 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dsm n PHE 58 N 0.38 -0.47 -3.98 1.61 3.01 -1.26 -4.23 117.46 112.52 2dsm n PHE 58 Ca 0.05 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.20 2dsm n PHE 58 Cb 0.23 0.14 -0.15 0.00 -0.01 0.00 0.00 39.48 39.69 2dsm n PHE 58 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2dsm s GLU 59 N 0.00 1.48 -0.40 -1.08 2.56 -1.26 -4.56 118.70 115.44 2dsm s GLU 59 Ca 0.00 -1.63 -0.15 0.00 0.00 0.00 0.00 54.97 53.19 2dsm s GLU 59 Cb 0.00 -2.95 0.01 0.00 2.00 0.00 0.00 34.13 33.20 2dsm s GLU 59 CO 0.00 -0.87 0.32 -0.06 -0.56 0.00 0.00 175.26 174.09 2dsm s PHE 60 N 1.06 3.22 -0.77 5.30 0.40 -1.26 -4.95 117.98 120.99 2dsm s PHE 60 Ca 0.07 -0.47 0.03 0.00 -0.60 0.00 0.00 56.93 55.95 2dsm s PHE 60 Cb -0.19 -2.64 0.31 0.00 0.51 0.00 0.00 43.02 41.01 2dsm s PHE 60 CO -0.10 -0.57 1.18 1.63 0.70 0.00 0.00 175.22 178.06 2dsm n LYS 61 N 5.25 3.77 -2.50 0.44 4.76 -1.26 -5.05 118.16 123.56 2dsm n LYS 61 Ca -0.10 -4.73 -0.34 0.00 -2.87 0.00 0.00 58.31 50.26 2dsm n LYS 61 Cb 0.48 -2.34 -0.03 0.00 -1.84 0.00 0.00 35.03 31.30 2dsm n LYS 61 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2dsm s ASN 62 N -2.51 6.25 0.27 4.39 0.01 -1.26 -4.94 114.94 117.16 2dsm s ASN 62 Ca 0.42 1.97 0.11 0.00 -0.71 0.00 0.00 52.86 54.66 2dsm s ASN 62 Cb 0.19 -2.56 0.35 0.00 0.41 0.00 0.00 41.25 39.64 2dsm s ASN 62 CO -0.07 -0.84 1.60 0.00 -1.51 0.00 0.00 177.10 176.28 2dsm h ALA 63 N 1.53 0.93 0.00 0.60 0.00 -2.07 -3.46 119.26 116.80 2dsm h ALA 63 Ca -0.50 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.85 2dsm h ALA 63 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2dsm h ALA 63 CO 0.59 0.77 0.00 0.94 0.00 0.00 0.00 179.25 181.55 2dsm n GLN 64 N -3.73 0.00 -1.74 0.00 -0.06 -1.26 -4.88 117.38 105.70 2dsm n GLN 64 Ca -0.01 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.57 2dsm n GLN 64 Cb 0.63 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.78 2dsm n GLN 64 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2dsm s LEU 65 N 0.00 4.31 -0.45 1.69 0.20 -1.26 -4.94 118.68 118.23 2dsm s LEU 65 Ca 0.00 2.49 -0.21 0.00 0.69 0.00 0.00 54.13 57.10 2dsm s LEU 65 Cb 0.00 -3.53 0.03 0.00 -0.43 0.00 0.00 46.19 42.26 2dsm s LEU 65 CO 0.00 -1.12 0.66 -1.83 -0.29 0.00 0.00 176.35 173.77 2dsm s GLU 66 N 4.56 3.28 -0.52 1.98 1.03 -1.26 -4.99 118.70 122.77 2dsm s GLU 66 Ca 0.86 -0.39 -0.00 0.00 0.03 0.00 0.00 54.97 55.47 2dsm s GLU 66 Cb -0.39 -3.96 0.14 0.00 -0.80 0.00 0.00 34.13 29.11 2dsm s GLU 66 CO 0.38 -1.05 0.30 -1.58 -1.33 0.00 0.00 175.26 171.99 2dsm s HIS 67 N 2.87 3.42 0.20 4.83 2.46 -1.26 -5.08 115.29 122.73 2dsm s HIS 67 Ca 0.23 -2.83 0.04 0.00 0.47 0.00 0.00 55.06 52.97 2dsm s HIS 67 Cb -0.14 -3.07 -0.05 0.00 -0.13 0.00 0.00 32.58 29.19 2dsm s HIS 67 CO 0.19 -0.85 -0.04 -3.38 -2.47 0.00 0.00 174.74 168.19 2dsm s HIS 68 N 0.21 1.42 0.45 3.88 -3.43 -1.26 -5.15 115.29 111.40 2dsm s HIS 68 Ca 0.15 -0.88 -0.09 0.00 -0.80 0.00 0.00 55.06 53.43 2dsm s HIS 68 Cb -0.22 -0.79 -0.06 0.00 -1.43 0.00 0.00 32.58 30.08 2dsm s HIS 68 CO -0.03 -0.02 0.80 -3.38 -2.00 0.00 0.00 174.74 170.11 2dsm s HIS 69 N -3.42 3.51 0.03 0.38 -3.43 -1.26 -5.03 115.29 106.08 2dsm s HIS 69 Ca 0.24 1.02 -0.31 0.00 -0.80 0.00 0.00 55.06 55.21 2dsm s HIS 69 Cb 0.05 -2.44 -0.17 0.00 -1.43 0.00 0.00 32.58 28.58 2dsm s HIS 69 CO 0.05 -0.21 1.30 1.25 -2.00 0.00 0.00 174.74 175.14 2dsm h HIS 70 N 0.85 -1.03 -0.17 0.38 2.76 -2.05 -3.44 115.15 112.46 2dsm h HIS 70 Ca -0.47 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.66 2dsm h HIS 70 Cb 1.19 0.34 -0.15 0.00 1.55 0.00 0.00 27.41 30.34 2dsm h HIS 70 CO 0.61 -0.63 -0.13 1.58 -1.30 0.00 0.00 177.93 178.06 2dsm n HIS 71 N -5.51 -0.83 -1.12 5.26 -0.00 -1.26 -5.32 115.22 106.44 2dsm n HIS 71 Ca -0.14 -0.71 0.00 0.00 0.46 0.00 0.00 57.72 57.33 2dsm n HIS 71 Cb 0.44 1.11 0.00 0.00 -0.12 0.00 0.00 29.99 31.42 2dsm n HIS 71 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52