#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 1.56 -0.47 3.17 1.01 -1.26 -4.88 120.40 119.53 2dsm s VAL 2 Ca 0.00 -2.92 0.23 0.00 0.00 0.00 0.00 61.98 59.29 2dsm s VAL 2 Cb 0.00 -2.07 0.05 0.00 0.00 0.00 0.00 36.38 34.36 2dsm s VAL 2 CO 0.00 -0.97 1.24 -0.33 0.00 0.00 0.00 175.10 175.05 2dsm h GLU 3 N 6.30 0.00 -6.29 2.72 3.07 -2.13 -3.46 114.58 114.79 2dsm h GLU 3 Ca 0.06 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.36 2dsm h GLU 3 Cb 0.89 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.82 2dsm h GLU 3 CO 0.52 0.00 1.24 -1.71 -1.40 0.00 0.00 179.01 177.66 2dsm n ASN 4 N -2.41 3.86 0.17 1.42 2.85 -1.26 -4.86 115.26 115.04 2dsm n ASN 4 Ca 0.02 0.82 0.14 0.00 -0.11 0.00 0.00 54.58 55.45 2dsm n ASN 4 Cb 0.49 -1.49 0.52 0.00 1.24 0.00 0.00 39.78 40.53 2dsm n ASN 4 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2dsm h PRO 5 N 10.91 0.00 -2.12 1.20 0.13 -2.05 -3.49 132.00 136.58 2dsm h PRO 5 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2dsm h PRO 5 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2dsm h PRO 5 CO 0.95 0.00 -0.46 -0.12 -0.23 0.00 0.00 178.00 178.14 2dsm n MET 6 N -2.53 -2.55 -1.87 0.86 1.56 -1.26 -4.78 117.12 106.54 2dsm n MET 6 Ca 0.02 1.90 -0.38 0.00 -0.27 0.00 0.00 57.70 58.97 2dsm n MET 6 Cb 0.30 -2.00 -0.03 0.00 2.15 0.00 0.00 33.22 33.63 2dsm n MET 6 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2dsm s VAL 7 N -1.18 3.24 0.05 1.12 1.01 -1.26 -4.94 120.40 118.45 2dsm s VAL 7 Ca 0.00 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.20 2dsm s VAL 7 Cb 0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2dsm s VAL 7 CO 0.00 -0.55 -0.18 0.27 0.00 0.00 0.00 175.10 174.64 2dsm s ILE 8 N 9.87 1.43 0.00 2.22 -4.36 -1.26 -5.00 121.20 124.10 2dsm s ILE 8 Ca 0.79 -1.16 0.00 0.00 -0.26 0.00 0.00 60.65 60.02 2dsm s ILE 8 Cb -0.16 -1.28 0.00 0.00 1.25 0.00 0.00 42.46 42.28 2dsm s ILE 8 CO 0.24 0.08 0.01 -0.46 0.24 0.00 0.00 174.94 175.05 2dsm n ASN 9 N 1.76 0.02 -0.63 4.36 6.94 -1.26 -5.14 115.26 121.30 2dsm n ASN 9 Ca -0.18 -0.32 0.00 0.00 -0.02 0.00 0.00 54.58 54.06 2dsm n ASN 9 Cb 0.54 0.04 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 2dsm n ASN 9 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2dsm n ASN 10 N -0.04 -4.11 -0.41 0.53 5.15 -1.26 -4.68 115.26 110.44 2dsm n ASN 10 Ca 0.00 0.49 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 2dsm n ASN 10 Cb 0.07 -1.27 0.00 0.00 -0.53 0.00 0.00 39.78 38.05 2dsm n ASN 10 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2dsm n TRP 11 N -0.82 0.00 -3.61 1.20 7.02 -1.26 -4.78 117.44 115.18 2dsm n TRP 11 Ca 0.00 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.28 2dsm n TRP 11 Cb 0.00 -0.07 0.05 0.00 -2.42 0.00 0.00 31.31 28.87 2dsm n TRP 11 CO 0.00 0.00 0.00 1.58 -2.02 0.00 0.00 177.69 177.25 2dsm n HIS 12 N -0.01 -2.00 -2.02 -5.99 -0.00 -1.26 -4.97 115.22 98.97 2dsm n HIS 12 Ca 0.00 0.85 -0.28 0.00 -0.00 0.00 0.00 57.72 58.28 2dsm n HIS 12 Cb 0.16 -4.49 0.07 0.00 -0.00 0.00 0.00 29.99 25.73 2dsm n HIS 12 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 2dsm s ASP 13 N -4.27 4.93 -0.30 0.26 -4.77 -1.26 -4.95 116.67 106.31 2dsm s ASP 13 Ca 0.05 0.79 -0.01 0.00 -3.30 0.00 0.00 52.55 50.08 2dsm s ASP 13 Cb -0.01 -1.45 0.21 0.00 -1.09 0.00 0.00 42.92 40.58 2dsm s ASP 13 CO 0.79 -1.60 1.98 0.29 0.70 0.00 0.00 175.17 177.33 2dsm n LYS 14 N -3.07 1.76 -2.29 2.11 4.76 -1.26 -4.82 118.16 115.35 2dsm n LYS 14 Ca 0.07 -1.49 -0.00 0.00 -2.87 0.00 0.00 58.31 54.02 2dsm n LYS 14 Cb 0.60 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 2dsm n LYS 14 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2dsm n LEU 15 N 0.36 -5.90 -4.68 -0.35 -0.00 -1.26 -4.90 117.00 100.27 2dsm n LEU 15 Ca 0.29 0.92 -0.45 0.00 -0.00 0.00 0.00 56.01 56.76 2dsm n LEU 15 Cb 0.60 -2.52 -0.04 0.00 -0.00 0.00 0.00 43.42 41.46 2dsm n LEU 15 CO 0.36 -2.07 1.43 0.35 -0.00 0.00 0.00 177.39 177.45 2dsm n THR 16 N 0.43 0.39 0.00 1.96 -2.24 -1.26 -4.95 114.28 108.61 2dsm n THR 16 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2dsm n THR 16 Cb 0.01 -1.92 0.00 0.00 -2.10 0.00 0.00 70.33 66.32 2dsm n THR 16 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2dsm n GLU 17 N 5.62 0.00 0.00 -0.78 0.00 -1.26 -4.98 120.64 119.24 2dsm n GLU 17 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.35 2dsm n GLU 17 Cb 0.33 -0.52 0.00 0.00 0.00 0.00 0.00 31.44 31.25 2dsm n GLU 17 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2dsm n THR 18 N -0.22 0.00 0.06 6.31 5.66 -1.26 -5.00 114.28 119.83 2dsm n THR 18 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 2dsm n THR 18 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 2dsm n THR 18 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2dsm h ASP 19 N 0.00 0.00 -3.79 1.09 3.58 -1.98 -3.50 116.42 111.82 2dsm h ASP 19 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2dsm h ASP 19 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2dsm h ASP 19 CO 0.00 0.90 -0.46 0.52 -2.88 0.00 0.00 179.24 177.33 2dsm n VAL 20 N -3.27 -7.38 -4.41 2.25 0.31 -1.26 -5.08 118.33 99.48 2dsm n VAL 20 Ca -0.02 1.50 -0.23 0.00 -0.01 0.00 0.00 64.34 65.58 2dsm n VAL 20 Cb 0.92 -4.39 -0.10 0.00 -0.91 0.00 0.00 33.84 29.35 2dsm n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dsm s GLN 21 N -1.41 1.51 0.06 5.55 -2.07 -1.24 -5.03 119.66 117.03 2dsm s GLN 21 Ca 0.00 -1.63 0.09 0.00 -1.82 0.00 0.00 55.36 51.99 2dsm s GLN 21 Cb 0.00 -1.56 -0.03 0.00 -1.09 0.00 0.00 33.01 30.33 2dsm s GLN 21 CO 0.00 0.30 -0.23 0.42 -1.32 0.00 0.00 175.29 174.46 2dsm s ILE 22 N -2.42 2.43 0.00 3.63 1.01 -1.26 0.01 121.20 124.59 2dsm s ILE 22 Ca 0.25 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.51 2dsm s ILE 22 Cb -0.05 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.42 2dsm s ILE 22 CO 0.11 0.30 0.00 -0.90 0.00 0.00 0.00 174.94 174.45 2dsm n ASP 23 N 1.50 -0.03 0.15 3.58 5.75 -0.08 -4.44 116.55 122.99 2dsm n ASP 23 Ca -0.17 -0.09 0.05 0.00 -0.01 0.00 0.00 54.79 54.57 2dsm n ASP 23 Cb 0.52 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.67 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 -0.24 0.00 -0.01 2.11 3.57 -0.47 -3.32 116.94 118.57 2dsm h PHE 24 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2dsm h PHE 24 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2dsm h PHE 24 CO 0.00 0.38 -0.32 0.66 -2.23 0.00 0.00 178.31 176.80 2dsm n TYR 25 N -3.18 0.00 0.00 0.41 4.01 -1.26 -4.98 117.16 112.17 2dsm n TYR 25 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2dsm n TYR 25 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.72 2dsm n TYR 25 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dsm n GLY 26 N 1.19 1.93 3.54 2.72 0.00 -1.25 -5.11 105.19 108.21 2dsm n GLY 26 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2dsm n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dsm s ASP 27 N -2.00 4.19 0.00 1.61 1.01 -1.26 -4.93 116.67 115.30 2dsm s ASP 27 Ca 0.00 -0.43 -0.30 0.00 0.71 0.00 0.00 52.55 52.53 2dsm s ASP 27 Cb 0.00 -0.74 -0.04 0.00 1.01 0.00 0.00 42.92 43.14 2dsm s ASP 27 CO 0.00 0.19 1.19 -1.61 0.21 0.00 0.00 175.17 175.15 2dsm s GLU 28 N -2.05 4.40 -0.30 8.23 2.02 -1.26 -0.90 118.70 128.84 2dsm s GLU 28 Ca 0.19 1.71 -0.16 0.00 0.02 0.00 0.00 54.97 56.73 2dsm s GLU 28 Cb -0.11 -3.45 -0.02 0.00 0.10 0.00 0.00 34.13 30.64 2dsm s GLU 28 CO 0.11 -0.33 0.40 0.08 0.02 0.00 0.00 175.26 175.54 2dsm s VAL 29 N 1.60 5.15 0.40 2.63 1.01 0.10 -4.90 120.40 126.38 2dsm s VAL 29 Ca 0.57 0.40 0.08 0.00 0.00 0.00 0.00 61.98 63.03 2dsm s VAL 29 Cb -0.27 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 2dsm s VAL 29 CO 0.26 0.03 0.11 0.42 0.00 0.00 0.00 175.10 175.92 2dsm s THR 30 N 2.11 2.30 -0.98 3.92 -4.23 -1.26 -3.70 115.64 113.80 2dsm s THR 30 Ca 0.15 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 2dsm s THR 30 Cb -0.16 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.72 2dsm s THR 30 CO 0.11 -0.04 0.19 -0.81 -0.54 0.00 0.00 174.62 173.53 2dsm n PRO 31 N -1.13 0.37 0.00 3.99 -0.04 -1.26 -1.76 135.00 135.17 2dsm n PRO 31 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2dsm n PRO 31 Cb 0.65 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 2dsm n PRO 31 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2dsm n VAL 32 N 0.33 0.00 -4.02 0.52 0.31 -1.26 -5.04 118.33 109.16 2dsm n VAL 32 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 2dsm n VAL 32 Cb 0.09 -0.44 -0.06 0.00 -0.91 0.00 0.00 33.84 32.52 2dsm n VAL 32 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2dsm s ASP 33 N -2.44 5.95 0.15 4.52 1.47 -0.72 -5.09 116.67 120.51 2dsm s ASP 33 Ca 0.00 0.23 -0.19 0.00 1.18 0.00 0.00 52.55 53.77 2dsm s ASP 33 Cb 0.00 -1.78 -0.07 0.00 -0.34 0.00 0.00 42.92 40.73 2dsm s ASP 33 CO 0.00 0.27 0.64 -0.62 0.68 0.00 0.00 175.17 176.14 2dsm s ASP 34 N -1.78 7.03 0.17 2.11 -1.08 -1.26 -4.55 116.67 117.30 2dsm s ASP 34 Ca 0.24 1.30 -0.11 0.00 -0.52 0.00 0.00 52.55 53.46 2dsm s ASP 34 Cb -0.12 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 2dsm s ASP 34 CO 0.15 0.14 0.35 -0.72 0.52 0.00 0.00 175.17 175.61 2dsm s TYR 35 N -1.35 0.22 0.04 -5.34 1.13 -1.26 -0.63 117.35 110.17 2dsm s TYR 35 Ca 0.37 -0.58 0.01 0.00 -1.41 0.00 0.00 57.07 55.45 2dsm s TYR 35 Cb -0.18 0.08 -0.03 0.00 -1.10 0.00 0.00 41.96 40.73 2dsm s TYR 35 CO 0.20 -0.77 -0.05 0.08 -2.51 0.00 0.00 175.55 172.51 2dsm s VAL 36 N -3.93 0.32 -0.34 -3.49 1.01 -0.31 -4.86 120.40 108.79 2dsm s VAL 36 Ca 0.14 -1.28 -0.05 0.00 0.00 0.00 0.00 61.98 60.79 2dsm s VAL 36 Cb 0.02 -0.80 0.05 0.00 0.00 0.00 0.00 36.38 35.65 2dsm s VAL 36 CO -0.02 -0.62 0.10 -0.63 0.00 0.00 0.00 175.10 173.93 2dsm s ILE 37 N -2.24 3.54 -0.82 2.22 1.01 -1.26 -0.46 121.20 123.20 2dsm s ILE 37 Ca -0.06 -1.34 -0.14 0.00 0.00 0.00 0.00 60.65 59.11 2dsm s ILE 37 Cb -0.04 -3.08 0.21 0.00 0.01 0.00 0.00 42.46 39.56 2dsm s ILE 37 CO -0.03 -0.25 0.76 -1.81 0.00 0.00 0.00 174.94 173.61 2dsm s ASP 38 N 1.49 6.74 -0.56 3.58 1.11 0.14 -4.54 116.67 124.63 2dsm s ASP 38 Ca -0.01 -2.65 0.00 0.00 0.18 0.00 0.00 52.55 50.07 2dsm s ASP 38 Cb -0.20 -2.21 0.00 0.00 1.07 0.00 0.00 42.92 41.57 2dsm s ASP 38 CO 0.01 -0.59 0.00 0.61 1.18 0.00 0.00 175.17 176.38 2dsm n GLY 39 N 4.04 0.55 0.00 0.21 0.00 -1.16 -3.25 105.19 105.57 2dsm n GLY 39 Ca 0.13 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.78 0.81 3.94 -0.02 0.00 -1.26 -4.88 105.19 101.99 2dsm n GLY 40 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.00 3.50 -0.11 1.61 2.02 -1.20 -5.06 118.70 119.46 2dsm s GLU 41 Ca 0.00 -0.35 -0.05 0.00 0.02 0.00 0.00 54.97 54.59 2dsm s GLU 41 Cb 0.00 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 2dsm s GLU 41 CO 0.00 0.22 0.07 0.42 0.02 0.00 0.00 175.26 175.99 2dsm s ILE 42 N -2.20 4.88 -0.09 -1.63 1.01 -1.26 -0.69 121.20 121.23 2dsm s ILE 42 Ca 0.39 -0.03 -0.00 0.00 0.00 0.00 0.00 60.65 61.02 2dsm s ILE 42 Cb -0.10 -3.10 0.02 0.00 0.01 0.00 0.00 42.46 39.29 2dsm s ILE 42 CO 0.34 0.60 -0.06 -0.63 0.00 0.00 0.00 174.94 175.18 2dsm s ILE 43 N -0.81 0.81 0.29 2.92 1.09 0.39 0.31 121.20 126.21 2dsm s ILE 43 Ca 0.13 -0.19 -0.30 0.00 -1.10 0.00 0.00 60.65 59.19 2dsm s ILE 43 Cb -0.12 -0.85 -0.12 0.00 -1.06 0.00 0.00 42.46 40.31 2dsm s ILE 43 CO 0.03 0.32 1.58 -0.11 -0.10 0.00 0.00 174.94 176.66 2dsm n LEU 44 N 4.70 4.26 0.14 2.97 -0.00 -1.26 -1.16 117.00 126.65 2dsm n LEU 44 Ca -0.14 1.15 0.09 0.00 -0.00 0.00 0.00 56.01 57.10 2dsm n LEU 44 Cb 0.50 -1.58 0.47 0.00 -0.00 0.00 0.00 43.42 42.81 2dsm n LEU 44 CO 0.17 0.10 0.78 0.54 -0.00 0.00 0.00 177.39 178.98 2dsm n ARG 45 N 2.15 0.11 0.09 1.96 5.12 0.20 -0.04 116.66 126.25 2dsm n ARG 45 Ca 0.09 0.60 0.13 0.00 -1.93 0.00 0.00 57.85 56.74 2dsm n ARG 45 Cb 0.36 -1.94 0.37 0.00 -1.16 0.00 0.00 32.46 30.09 2dsm n ARG 45 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2dsm n GLU 46 N -2.12 0.25 0.00 5.56 1.02 -1.26 -3.03 120.64 121.07 2dsm n GLU 46 Ca -0.01 0.18 0.02 0.00 -0.02 0.00 0.00 57.16 57.33 2dsm n GLU 46 Cb 0.09 -1.76 -0.03 0.00 -0.02 0.00 0.00 31.44 29.73 2dsm n GLU 46 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2dsm n ASN 47 N -2.19 0.24 0.19 1.62 3.02 0.94 -4.66 115.26 114.42 2dsm n ASN 47 Ca 0.05 -0.62 0.03 0.00 -0.03 0.00 0.00 54.58 54.02 2dsm n ASN 47 Cb 0.43 0.99 0.36 0.00 -0.61 0.00 0.00 39.78 40.95 2dsm n ASN 47 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2dsm h LEU 48 N 0.01 0.00 0.17 3.41 5.85 -0.85 -2.91 115.31 120.98 2dsm h LEU 48 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2dsm h LEU 48 Cb 0.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2dsm h LEU 48 CO 0.00 0.39 -0.19 -0.08 -0.34 0.00 0.00 178.44 178.22 2dsm h GLU 49 N 0.00 -0.35 0.00 1.25 4.22 -1.83 0.29 114.58 118.17 2dsm h GLU 49 Ca -0.00 0.02 -0.08 0.00 0.08 0.00 0.00 59.36 59.38 2dsm h GLU 49 Cb 0.74 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2dsm h GLU 49 CO 0.05 -0.23 -0.37 0.07 -2.18 0.00 0.00 179.01 176.35 2dsm h ARG 50 N -0.36 0.00 -0.60 1.92 -0.00 -1.91 -2.55 114.38 110.88 2dsm h ARG 50 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.88 2dsm h ARG 50 Cb 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.26 2dsm h ARG 50 CO -0.03 0.37 0.08 -0.92 -0.00 0.00 0.00 179.97 179.47 2dsm h TYR 51 N 0.00 1.08 -0.21 4.08 3.20 -1.28 -2.08 116.97 121.76 2dsm h TYR 51 Ca -0.00 -0.16 -0.07 0.00 3.14 0.00 0.00 58.73 61.64 2dsm h TYR 51 Cb 0.72 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2dsm h TYR 51 CO 0.00 0.93 -0.16 -0.07 -1.64 0.00 0.00 178.16 177.23 2dsm h LEU 52 N 0.91 0.34 -0.91 2.82 3.38 -0.05 0.31 115.31 122.11 2dsm h LEU 52 Ca 0.18 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2dsm h LEU 52 Cb 0.45 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2dsm h LEU 52 CO 0.02 0.53 0.36 0.03 0.09 0.00 0.00 178.44 179.46 2dsm h ARG 53 N 0.33 1.15 0.00 1.13 3.08 -1.01 -1.68 114.38 117.38 2dsm h ARG 53 Ca 0.06 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 59.80 2dsm h ARG 53 Cb 0.48 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2dsm h ARG 53 CO 0.03 0.90 -0.81 0.93 -1.07 0.00 0.00 179.97 179.94 2dsm h GLU 54 N 1.13 0.00 0.00 0.04 4.39 -0.95 -3.43 114.58 115.76 2dsm h GLU 54 Ca 0.27 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.77 2dsm h GLU 54 Cb 0.14 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 2dsm h GLU 54 CO -0.03 0.72 -1.19 0.94 -1.16 0.00 0.00 179.01 178.29 2dsm n GLN 55 N -4.52 0.55 -2.78 2.33 -0.06 0.10 -5.02 117.38 107.98 2dsm n GLN 55 Ca -0.21 0.56 -0.08 0.00 -2.00 0.00 0.00 57.00 55.27 2dsm n GLN 55 Cb 0.51 -1.73 0.03 0.00 -4.06 0.00 0.00 30.24 25.00 2dsm n GLN 55 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2dsm n LEU 56 N -4.46 -2.68 0.00 1.69 0.00 -0.63 -4.13 117.00 106.79 2dsm n LEU 56 Ca -0.29 -0.23 0.00 0.00 0.00 0.00 0.00 56.01 55.49 2dsm n LEU 56 Cb 0.62 -1.53 0.00 0.00 0.00 0.00 0.00 43.42 42.51 2dsm n LEU 56 CO 0.17 0.21 0.00 0.61 0.00 0.00 0.00 177.39 178.38 2dsm n GLY 57 N -1.08 1.46 3.68 -3.96 0.00 -1.26 -4.92 105.19 99.10 2dsm n GLY 57 Ca -0.05 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2dsm n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dsm s PHE 58 N 0.00 2.50 -0.58 1.61 0.08 -1.26 -3.00 117.98 117.33 2dsm s PHE 58 Ca 0.00 0.55 -0.20 0.00 0.12 0.00 0.00 56.93 57.40 2dsm s PHE 58 Cb 0.00 -3.78 0.08 0.00 -0.57 0.00 0.00 43.02 38.75 2dsm s PHE 58 CO 0.00 -3.06 0.76 -2.00 -0.10 0.00 0.00 175.22 170.82 2dsm s GLU 59 N 3.07 3.10 -0.87 0.44 2.12 -1.26 -4.95 118.70 120.35 2dsm s GLU 59 Ca 0.68 -1.03 -0.25 0.00 0.36 0.00 0.00 54.97 54.73 2dsm s GLU 59 Cb -0.32 -4.20 0.04 0.00 0.26 0.00 0.00 34.13 29.91 2dsm s GLU 59 CO 0.27 -1.52 1.34 -0.06 -0.54 0.00 0.00 175.26 174.75 2dsm s PHE 60 N 3.07 2.42 -0.91 5.30 0.08 -1.26 -4.93 117.98 121.75 2dsm s PHE 60 Ca 0.16 -0.45 -0.14 0.00 0.12 0.00 0.00 56.93 56.62 2dsm s PHE 60 Cb -0.20 -4.64 0.22 0.00 -0.57 0.00 0.00 43.02 37.82 2dsm s PHE 60 CO 0.09 -1.99 0.91 0.15 -0.10 0.00 0.00 175.22 174.28 2dsm s LYS 61 N 5.28 3.75 0.91 0.44 1.02 -1.26 -5.03 119.74 124.84 2dsm s LYS 61 Ca 0.40 -2.55 -0.14 0.00 0.02 0.00 0.00 55.97 53.70 2dsm s LYS 61 Cb -0.05 -4.54 0.17 0.00 -0.52 0.00 0.00 37.83 32.90 2dsm s LYS 61 CO 0.03 -1.35 1.26 0.54 -0.92 0.00 0.00 175.35 174.90 2dsm s ASN 62 N 2.17 3.51 0.00 2.83 4.22 -1.26 -4.94 114.94 121.47 2dsm s ASN 62 Ca 0.23 0.29 0.17 0.00 -2.14 0.00 0.00 52.86 51.40 2dsm s ASN 62 Cb -0.09 -0.45 0.95 0.00 1.28 0.00 0.00 41.25 42.93 2dsm s ASN 62 CO -0.09 -2.48 1.62 0.00 -2.04 0.00 0.00 177.10 174.11 2dsm n ALA 63 N -3.57 2.59 -1.09 3.54 0.00 -1.26 -4.84 120.51 115.88 2dsm n ALA 63 Ca 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2dsm n ALA 63 Cb 0.60 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 2dsm n ALA 63 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2dsm n GLN 64 N -0.65 -1.23 -3.61 0.00 7.27 -1.26 -4.92 117.38 112.98 2dsm n GLN 64 Ca 0.13 0.47 -0.29 0.00 0.07 0.00 0.00 57.00 57.37 2dsm n GLN 64 Cb 0.08 -4.47 -0.12 0.00 2.41 0.00 0.00 30.24 28.14 2dsm n GLN 64 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2dsm s LEU 65 N -0.68 2.15 -0.13 1.69 1.98 -1.26 -5.09 118.68 117.35 2dsm s LEU 65 Ca 0.00 -2.62 -0.29 0.00 -2.89 0.00 0.00 54.13 48.33 2dsm s LEU 65 Cb 0.00 -0.81 -0.03 0.00 0.66 0.00 0.00 46.19 46.01 2dsm s LEU 65 CO 0.00 -0.26 1.43 -1.61 -1.89 0.00 0.00 176.35 174.03 2dsm s GLU 66 N 0.43 4.19 0.25 1.98 8.01 -1.26 -4.90 118.70 127.39 2dsm s GLU 66 Ca 0.20 1.86 -0.04 0.00 0.01 0.00 0.00 54.97 57.00 2dsm s GLU 66 Cb -0.19 -3.87 0.28 0.00 -4.31 0.00 0.00 34.13 26.04 2dsm s GLU 66 CO -0.03 -0.80 1.79 0.45 0.01 0.00 0.00 175.26 176.68 2dsm h HIS 67 N 8.86 1.02 -3.20 1.61 3.86 -2.03 -3.37 115.15 121.91 2dsm h HIS 67 Ca -0.32 -0.10 -0.55 0.00 -1.16 0.00 0.00 60.37 58.25 2dsm h HIS 67 Cb 1.13 -0.30 -0.40 0.00 1.06 0.00 0.00 27.41 28.91 2dsm h HIS 67 CO 0.84 0.82 -0.76 -1.01 0.86 0.00 0.00 177.93 178.68 2dsm s HIS 68 N -5.31 1.31 0.00 2.45 3.76 -1.26 -4.93 115.29 111.30 2dsm s HIS 68 Ca -0.11 -1.27 0.00 0.00 -0.15 0.00 0.00 55.06 53.54 2dsm s HIS 68 Cb 0.15 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.52 2dsm s HIS 68 CO 0.82 -0.75 0.00 1.58 -0.85 0.00 0.00 174.74 175.54 2dsm n HIS 69 N 4.97 0.00 -2.85 1.40 -0.00 -1.26 -5.04 115.22 112.44 2dsm n HIS 69 Ca -0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.30 2dsm n HIS 69 Cb 0.44 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.37 2dsm n HIS 69 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2dsm s HIS 70 N -1.87 3.62 -0.18 1.57 2.46 -1.26 -5.03 115.29 114.59 2dsm s HIS 70 Ca 0.00 1.68 -0.18 0.00 0.47 0.00 0.00 55.06 57.02 2dsm s HIS 70 Cb 0.00 -2.85 -0.03 0.00 -0.13 0.00 0.00 32.58 29.57 2dsm s HIS 70 CO 0.00 0.18 0.50 -3.38 -2.47 0.00 0.00 174.74 169.57 2dsm s HIS 71 N -1.70 3.40 0.00 3.88 -3.43 -1.26 -5.21 115.29 110.97 2dsm s HIS 71 Ca 0.51 0.79 0.00 0.00 -0.80 0.00 0.00 55.06 55.55 2dsm s HIS 71 Cb -0.17 -2.64 0.00 0.00 -1.43 0.00 0.00 32.58 28.34 2dsm s HIS 71 CO 0.21 -0.05 0.00 1.58 -2.00 0.00 0.00 174.74 174.49