#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dsm n VAL 2 N 0.00 3.33 -3.68 2.03 0.31 -1.26 -4.77 118.33 114.28 2dsm n VAL 2 Ca 0.00 -2.89 -0.10 0.00 -0.01 0.00 0.00 64.34 61.34 2dsm n VAL 2 Cb 0.00 -2.59 -0.10 0.00 -0.91 0.00 0.00 33.84 30.25 2dsm n VAL 2 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2dsm s GLU 3 N 3.34 0.51 0.20 5.55 4.04 -1.26 -5.18 118.70 125.90 2dsm s GLU 3 Ca 0.48 0.88 -0.19 0.00 0.04 0.00 0.00 54.97 56.17 2dsm s GLU 3 Cb 0.14 0.08 0.04 0.00 0.02 0.00 0.00 34.13 34.41 2dsm s GLU 3 CO -0.07 -0.14 0.57 0.54 -1.84 0.00 0.00 175.26 174.32 2dsm s ASN 4 N 1.22 -0.32 0.59 0.83 4.22 -1.26 -5.18 114.94 115.03 2dsm s ASN 4 Ca -0.08 -0.41 0.00 0.00 -2.14 0.00 0.00 52.86 50.24 2dsm s ASN 4 Cb -0.07 0.61 0.00 0.00 1.28 0.00 0.00 41.25 43.07 2dsm s ASN 4 CO -0.12 -1.09 0.00 -0.81 -2.04 0.00 0.00 177.10 173.04 2dsm n PRO 5 N -0.37 0.52 -0.78 3.55 -0.04 -1.26 -5.14 135.00 131.48 2dsm n PRO 5 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2dsm n PRO 5 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 2dsm n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dsm n MET 6 N -0.81 0.00 -1.82 0.54 0.00 -1.26 -5.07 117.12 108.70 2dsm n MET 6 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.34 2dsm n MET 6 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 2dsm n MET 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2dsm s VAL 7 N -2.73 3.20 -0.17 3.17 0.11 -1.26 -4.93 120.40 117.79 2dsm s VAL 7 Ca 0.00 0.09 -0.25 0.00 -2.93 0.00 0.00 61.98 58.89 2dsm s VAL 7 Cb 0.00 -3.52 -0.02 0.00 -1.53 0.00 0.00 36.38 31.32 2dsm s VAL 7 CO 0.00 -0.50 0.82 -0.63 -3.33 0.00 0.00 175.10 171.46 2dsm s ILE 8 N 10.62 4.89 -0.32 7.04 1.01 -1.26 -5.01 121.20 138.17 2dsm s ILE 8 Ca 0.81 1.61 -0.29 0.00 0.00 0.00 0.00 60.65 62.78 2dsm s ILE 8 Cb -0.14 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.21 2dsm s ILE 8 CO 0.22 0.03 1.08 0.21 0.00 0.00 0.00 174.94 176.49 2dsm s ASN 9 N 1.15 6.93 0.83 3.58 2.47 -1.26 -5.03 114.94 123.61 2dsm s ASN 9 Ca 0.38 1.06 0.00 0.00 0.42 0.00 0.00 52.86 54.72 2dsm s ASN 9 Cb -0.17 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 2dsm s ASN 9 CO 0.12 -0.88 0.00 0.59 -3.72 0.00 0.00 177.10 173.21 2dsm n ASN 10 N 6.88 0.00 -3.26 -4.21 3.02 -1.26 -4.65 115.26 111.77 2dsm n ASN 10 Ca 0.12 -0.90 -0.15 0.00 -0.03 0.00 0.00 54.58 53.62 2dsm n ASN 10 Cb 0.47 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.71 2dsm n ASN 10 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2dsm n TRP 11 N -1.73 -2.45 -3.60 3.10 8.01 -1.26 -5.03 117.44 114.48 2dsm n TRP 11 Ca 0.00 0.87 -0.17 0.00 -1.31 0.00 0.00 57.50 56.88 2dsm n TRP 11 Cb 0.00 -4.20 -0.14 0.00 -2.01 0.00 0.00 31.31 24.96 2dsm n TRP 11 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 2dsm s HIS 12 N -3.39 -0.24 0.14 -5.99 3.76 -1.26 -5.02 115.29 103.29 2dsm s HIS 12 Ca 0.43 0.49 -0.05 0.00 -0.15 0.00 0.00 55.06 55.77 2dsm s HIS 12 Cb -0.06 -0.28 -0.05 0.00 1.11 0.00 0.00 32.58 33.30 2dsm s HIS 12 CO 0.74 -0.42 1.35 0.38 -0.85 0.00 0.00 174.74 175.94 2dsm h ASP 13 N 8.33 0.62 -4.49 1.40 2.03 -1.99 -3.45 116.42 118.88 2dsm h ASP 13 Ca -0.15 -0.44 -0.34 0.00 -0.73 0.00 0.00 57.03 55.37 2dsm h ASP 13 Cb 1.13 -0.19 -0.20 0.00 -0.83 0.00 0.00 39.33 39.25 2dsm h ASP 13 CO 0.20 1.22 -0.75 -0.54 -1.03 0.00 0.00 179.24 178.34 2dsm s LYS 14 N -3.51 0.77 -1.34 4.15 1.02 -1.26 -5.05 119.74 114.52 2dsm s LYS 14 Ca -0.07 -1.02 -0.15 0.00 0.02 0.00 0.00 55.97 54.75 2dsm s LYS 14 Cb 0.09 -0.57 0.08 0.00 -0.52 0.00 0.00 37.83 36.92 2dsm s LYS 14 CO 0.87 0.10 1.88 1.28 -0.92 0.00 0.00 175.35 178.56 2dsm n LEU 15 N 0.95 5.76 0.00 3.17 4.77 -1.26 -4.90 117.00 125.50 2dsm n LEU 15 Ca -0.19 -4.12 0.00 0.00 -0.03 0.00 0.00 56.01 51.67 2dsm n LEU 15 Cb 0.56 -1.68 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 2dsm n LEU 15 CO 0.24 0.64 0.00 0.35 -1.33 0.00 0.00 177.39 177.29 2dsm n THR 16 N 5.49 0.00 -0.03 -5.08 -2.24 -1.26 -4.44 114.28 106.72 2dsm n THR 16 Ca 0.48 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.31 2dsm n THR 16 Cb 0.42 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.13 0.69 0.00 -0.78 4.07 -1.26 -5.00 120.64 117.23 2dsm n GLU 17 Ca 0.00 -0.14 0.00 0.00 -0.06 0.00 0.00 57.16 56.96 2dsm n GLU 17 Cb 0.00 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 29.90 2dsm n GLU 17 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2dsm n THR 18 N -2.32 0.00 -2.88 6.31 -1.04 -1.26 -4.70 114.28 108.39 2dsm n THR 18 Ca -0.10 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.47 2dsm n THR 18 Cb 0.67 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.15 2dsm n THR 18 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2dsm s ASP 19 N 0.00 6.65 -0.02 8.00 2.15 -1.26 -4.96 116.67 127.23 2dsm s ASP 19 Ca 0.00 -2.04 0.03 0.00 0.43 0.00 0.00 52.55 50.97 2dsm s ASP 19 Cb 0.00 -2.42 -0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2dsm s ASP 19 CO 0.00 -1.10 -0.10 -0.69 -0.17 0.00 0.00 175.17 173.11 2dsm s VAL 20 N 2.90 0.84 -0.23 1.11 1.01 -1.26 -4.87 120.40 119.90 2dsm s VAL 20 Ca 0.35 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2dsm s VAL 20 Cb -0.04 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.63 2dsm s VAL 20 CO -0.09 0.25 -0.10 0.00 0.00 0.00 0.00 175.10 175.17 2dsm s GLN 21 N 0.04 2.85 0.05 2.72 1.03 -1.19 -5.04 119.66 120.12 2dsm s GLN 21 Ca -0.01 -0.96 -0.13 0.00 0.04 0.00 0.00 55.36 54.31 2dsm s GLN 21 Cb -0.07 -2.88 -0.06 0.00 0.03 0.00 0.00 33.01 30.02 2dsm s GLN 21 CO 0.00 -0.36 0.42 0.42 -2.54 0.00 0.00 175.29 173.24 2dsm s ILE 22 N 1.31 5.03 0.13 3.63 1.01 -1.26 -1.65 121.20 129.39 2dsm s ILE 22 Ca 0.01 0.71 -0.02 0.00 0.00 0.00 0.00 60.65 61.34 2dsm s ILE 22 Cb -0.16 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.65 2dsm s ILE 22 CO -0.06 0.44 0.09 -0.90 0.00 0.00 0.00 174.94 174.50 2dsm n ASP 23 N 1.37 -1.87 0.10 3.58 5.75 -1.26 -4.60 116.55 119.62 2dsm n ASP 23 Ca -0.11 -0.23 -0.05 0.00 -0.01 0.00 0.00 54.79 54.39 2dsm n ASP 23 Cb 0.52 -0.10 0.08 0.00 -1.03 0.00 0.00 41.12 40.60 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 -1.99 0.18 -0.16 2.11 3.57 -0.51 -3.17 116.94 116.97 2dsm h PHE 24 Ca -0.04 -0.08 -0.18 0.00 3.53 0.00 0.00 57.97 61.20 2dsm h PHE 24 Cb 0.12 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 2dsm h PHE 24 CO 0.00 0.80 -0.63 1.88 -2.23 0.00 0.00 178.31 178.12 2dsm h TYR 25 N 0.09 0.74 0.00 0.41 -1.99 -1.92 -3.47 116.97 110.82 2dsm h TYR 25 Ca -0.02 -0.29 0.00 0.00 2.00 0.00 0.00 58.73 60.42 2dsm h TYR 25 Cb 1.26 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.86 2dsm h TYR 25 CO 0.01 1.05 0.00 0.41 -0.00 0.00 0.00 178.16 179.63 2dsm n GLY 26 N 0.41 1.56 0.00 3.88 0.00 -1.20 -5.06 105.19 104.77 2dsm n GLY 26 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 1.61 2.03 -1.26 -4.97 116.55 113.96 2dsm n ASP 27 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2dsm n ASP 27 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2dsm n ASP 27 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2dsm n GLU 28 N -0.43 0.00 -4.78 -0.67 2.13 -1.26 -4.93 120.64 110.70 2dsm n GLU 28 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 2dsm n GLU 28 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 2dsm n GLU 28 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2dsm s VAL 29 N 0.00 3.19 0.16 6.31 1.01 -0.66 -4.80 120.40 125.61 2dsm s VAL 29 Ca 0.00 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.41 2dsm s VAL 29 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2dsm s VAL 29 CO 0.00 0.56 -0.02 0.42 0.00 0.00 0.00 175.10 176.05 2dsm s THR 30 N -0.19 3.62 -2.00 3.92 -4.23 -1.26 -3.19 115.64 112.31 2dsm s THR 30 Ca 0.01 -1.42 0.09 0.00 -1.18 0.00 0.00 61.69 59.18 2dsm s THR 30 Cb -0.13 -2.80 0.25 0.00 1.34 0.00 0.00 72.50 71.16 2dsm s THR 30 CO 0.03 -0.08 0.94 -0.81 -0.54 0.00 0.00 174.62 174.17 2dsm n PRO 31 N 0.02 0.33 0.00 3.99 -0.04 -1.26 -0.52 135.00 137.51 2dsm n PRO 31 Ca -0.10 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.47 2dsm n PRO 31 Cb 0.55 -1.41 0.02 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.91 0.00 -3.85 0.52 0.31 -1.26 -4.96 118.33 108.17 2dsm n VAL 32 Ca 0.07 -0.31 -0.26 0.00 -0.01 0.00 0.00 64.34 63.82 2dsm n VAL 32 Cb 0.03 1.31 0.00 0.00 -0.91 0.00 0.00 33.84 34.27 2dsm n VAL 32 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dsm s ASP 33 N -2.37 4.63 -0.15 4.52 -1.08 0.32 -5.12 116.67 117.42 2dsm s ASP 33 Ca 0.20 -1.26 -0.02 0.00 -0.52 0.00 0.00 52.55 50.95 2dsm s ASP 33 Cb 0.18 0.50 -0.02 0.00 -1.46 0.00 0.00 42.92 42.13 2dsm s ASP 33 CO 0.51 -1.17 -0.08 -1.81 0.52 0.00 0.00 175.17 173.15 2dsm s ASP 34 N -4.32 4.38 0.17 -0.34 1.01 -1.26 -4.90 116.67 111.40 2dsm s ASP 34 Ca 0.34 -0.25 -0.02 0.00 0.71 0.00 0.00 52.55 53.33 2dsm s ASP 34 Cb -0.03 -1.70 -0.03 0.00 1.01 0.00 0.00 42.92 42.17 2dsm s ASP 34 CO 0.22 0.15 0.13 -0.72 0.21 0.00 0.00 175.17 175.16 2dsm s TYR 35 N 0.46 0.90 -0.01 4.23 1.13 -1.26 -0.59 117.35 122.22 2dsm s TYR 35 Ca -0.06 -1.22 0.01 0.00 -1.41 0.00 0.00 57.07 54.39 2dsm s TYR 35 Cb -0.15 -0.43 0.00 0.00 -1.10 0.00 0.00 41.96 40.28 2dsm s TYR 35 CO 0.04 -0.62 -0.04 0.08 -2.51 0.00 0.00 175.55 172.50 2dsm s VAL 36 N -4.08 0.34 -0.37 -3.49 1.01 -0.26 -4.81 120.40 108.73 2dsm s VAL 36 Ca 0.29 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.94 2dsm s VAL 36 Cb 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.14 2dsm s VAL 36 CO 0.06 0.11 0.52 -0.63 0.00 0.00 0.00 175.10 175.16 2dsm s ILE 37 N 0.08 5.00 -0.98 2.22 1.01 -1.26 -2.12 121.20 125.15 2dsm s ILE 37 Ca -0.00 0.24 -0.19 0.00 0.00 0.00 0.00 60.65 60.70 2dsm s ILE 37 Cb -0.04 -4.00 0.13 0.00 0.01 0.00 0.00 42.46 38.56 2dsm s ILE 37 CO -0.00 -0.28 1.21 -0.62 0.00 0.00 0.00 174.94 175.25 2dsm s ASP 38 N 1.79 6.67 0.00 3.58 -1.08 0.22 -4.49 116.67 123.37 2dsm s ASP 38 Ca 0.18 -2.10 0.00 0.00 -0.52 0.00 0.00 52.55 50.11 2dsm s ASP 38 Cb -0.15 -2.42 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 2dsm s ASP 38 CO 0.14 -1.08 0.00 0.61 0.52 0.00 0.00 175.17 175.36 2dsm n GLY 39 N 5.49 1.83 0.00 2.66 0.00 -1.26 -1.96 105.19 111.94 2dsm n GLY 39 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.40 0.07 3.81 -0.02 0.00 -1.26 -4.36 105.19 103.03 2dsm n GLY 40 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 4.36 -0.17 1.61 0.41 -0.83 -5.05 118.70 119.03 2dsm s GLU 41 Ca 0.00 1.07 -0.11 0.00 -0.41 0.00 0.00 54.97 55.52 2dsm s GLU 41 Cb 0.00 -2.69 -0.05 0.00 -1.78 0.00 0.00 34.13 29.62 2dsm s GLU 41 CO 0.00 0.25 0.19 0.42 -0.49 0.00 0.00 175.26 175.64 2dsm s ILE 42 N -1.72 5.37 -0.02 -1.63 1.01 -1.26 -0.61 121.20 122.35 2dsm s ILE 42 Ca 0.50 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.48 2dsm s ILE 42 Cb -0.16 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.82 2dsm s ILE 42 CO 0.20 0.44 0.02 -0.63 0.00 0.00 0.00 174.94 174.98 2dsm s ILE 43 N 0.23 -0.03 0.44 2.92 1.09 -0.90 0.34 121.20 125.30 2dsm s ILE 43 Ca 0.12 0.19 -0.25 0.00 -1.10 0.00 0.00 60.65 59.61 2dsm s ILE 43 Cb -0.12 -0.10 -0.08 0.00 -1.06 0.00 0.00 42.46 41.10 2dsm s ILE 43 CO 0.01 0.09 1.36 -0.22 -0.10 0.00 0.00 174.94 176.08 2dsm s LEU 44 N 1.03 4.13 0.62 2.97 0.20 -1.26 -1.10 118.68 125.27 2dsm s LEU 44 Ca -0.09 2.77 0.27 0.00 0.69 0.00 0.00 54.13 57.77 2dsm s LEU 44 Cb -0.13 -3.97 1.40 0.00 -0.43 0.00 0.00 46.19 43.07 2dsm s LEU 44 CO -0.03 -1.07 1.80 0.03 -0.29 0.00 0.00 176.35 176.80 2dsm h ARG 45 N 2.38 0.00 0.00 1.98 2.47 -1.16 0.61 114.38 120.65 2dsm h ARG 45 Ca -0.50 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.00 2dsm h ARG 45 Cb 1.26 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.55 2dsm h ARG 45 CO 0.61 0.00 -1.05 1.49 0.56 0.00 0.00 179.97 181.58 2dsm h GLU 46 N 0.00 0.00 0.00 0.04 4.81 -1.89 -3.21 114.58 114.33 2dsm h GLU 46 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2dsm h GLU 46 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2dsm h GLU 46 CO -0.00 0.95 -1.23 0.09 -0.73 0.00 0.00 179.01 178.09 2dsm n ASN 47 N -3.32 0.76 -0.17 1.04 4.13 -0.19 -4.39 115.26 113.12 2dsm n ASN 47 Ca -0.01 -0.72 -0.01 0.00 1.68 0.00 0.00 54.58 55.52 2dsm n ASN 47 Cb 0.95 1.26 0.23 0.00 -1.54 0.00 0.00 39.78 40.67 2dsm n ASN 47 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2dsm h LEU 48 N 0.00 0.81 -0.08 3.41 7.12 -0.96 -2.11 115.31 123.49 2dsm h LEU 48 Ca 0.00 -0.07 0.04 0.00 0.13 0.00 0.00 57.88 57.97 2dsm h LEU 48 Cb 0.61 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 40.49 2dsm h LEU 48 CO 0.00 0.67 -0.17 -0.08 -0.13 0.00 0.00 178.44 178.73 2dsm h GLU 49 N 0.90 -0.23 0.00 1.25 4.22 -1.77 0.51 114.58 119.46 2dsm h GLU 49 Ca 0.23 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.67 2dsm h GLU 49 Cb 0.07 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2dsm h GLU 49 CO -0.03 -0.16 -0.05 -0.09 -2.18 0.00 0.00 179.01 176.50 2dsm h ARG 50 N -0.24 0.00 0.00 1.92 2.43 -1.79 -2.44 114.38 114.26 2dsm h ARG 50 Ca 0.08 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.07 2dsm h ARG 50 Cb 0.36 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2dsm h ARG 50 CO -0.22 0.05 -0.84 -0.92 -1.51 0.00 0.00 179.97 176.53 2dsm h TYR 51 N 0.00 0.07 -0.14 2.20 3.20 -0.69 -2.06 116.97 119.54 2dsm h TYR 51 Ca -0.00 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.73 2dsm h TYR 51 Cb 0.86 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 2dsm h TYR 51 CO 0.00 0.86 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.99 2dsm h LEU 52 N 0.03 0.29 -1.38 2.82 3.38 -0.54 0.55 115.31 120.45 2dsm h LEU 52 Ca -0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2dsm h LEU 52 Cb 1.48 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 2dsm h LEU 52 CO 0.11 0.61 0.23 -0.09 0.09 0.00 0.00 178.44 179.39 2dsm h ARG 53 N 0.25 0.66 0.15 1.13 2.43 -1.12 -1.89 114.38 115.98 2dsm h ARG 53 Ca 0.03 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2dsm h ARG 53 Cb 0.70 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2dsm h ARG 53 CO 0.05 0.51 -0.07 0.93 -1.51 0.00 0.00 179.97 179.88 2dsm h GLU 54 N 0.66 -0.19 0.00 0.20 4.39 -0.63 -3.45 114.58 115.56 2dsm h GLU 54 Ca 0.17 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 2dsm h GLU 54 Cb 0.06 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2dsm h GLU 54 CO -0.02 -0.13 -0.95 0.94 -1.16 0.00 0.00 179.01 177.69 2dsm n GLN 55 N -3.72 0.45 -1.31 2.33 -0.06 0.19 -5.06 117.38 110.19 2dsm n GLN 55 Ca -0.02 0.18 0.00 0.00 -2.00 0.00 0.00 57.00 55.15 2dsm n GLN 55 Cb 0.08 -1.28 0.00 0.00 -4.06 0.00 0.00 30.24 24.98 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 -4.28 -1.03 -2.11 1.69 7.94 -0.71 -4.61 117.00 113.88 2dsm n LEU 56 Ca -0.14 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.70 2dsm n LEU 56 Cb 0.47 -0.26 0.03 0.00 0.53 0.00 0.00 43.42 44.18 2dsm n LEU 56 CO 0.16 0.00 0.02 0.61 -1.11 0.00 0.00 177.39 177.07 2dsm n GLY 57 N -0.29 0.13 3.42 -3.96 0.00 -1.26 -5.01 105.19 98.21 2dsm n GLY 57 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.15 -1.01 -0.50 1.61 0.08 -1.26 -4.37 117.98 109.38 2dsm s PHE 58 Ca 0.13 1.84 -0.14 0.00 0.12 0.00 0.00 56.93 58.88 2dsm s PHE 58 Cb -0.02 0.50 0.11 0.00 -0.57 0.00 0.00 43.02 43.04 2dsm s PHE 58 CO 0.28 -0.55 0.43 -1.21 -0.10 0.00 0.00 175.22 174.07 2dsm s GLU 59 N 2.70 2.89 -0.33 0.44 0.41 -1.26 -4.66 118.70 118.89 2dsm s GLU 59 Ca -0.04 -1.61 -0.04 0.00 -0.41 0.00 0.00 54.97 52.87 2dsm s GLU 59 Cb -0.12 -4.17 0.05 0.00 -1.78 0.00 0.00 34.13 28.11 2dsm s GLU 59 CO -0.15 -1.21 0.07 0.12 -0.49 0.00 0.00 175.26 173.60 2dsm s PHE 60 N 1.56 3.27 0.45 1.61 2.19 -1.26 -5.05 117.98 120.76 2dsm s PHE 60 Ca 0.04 -1.65 0.04 0.00 0.33 0.00 0.00 56.93 55.69 2dsm s PHE 60 Cb -0.27 -2.26 -0.04 0.00 -1.31 0.00 0.00 43.02 39.14 2dsm s PHE 60 CO 0.03 -0.77 0.02 0.15 1.83 0.00 0.00 175.22 176.48 2dsm s LYS 61 N 1.33 2.05 0.18 10.12 -0.14 -1.26 -5.16 119.74 126.86 2dsm s LYS 61 Ca -0.03 -2.24 -0.24 0.00 -1.36 0.00 0.00 55.97 52.10 2dsm s LYS 61 Cb -0.20 -1.45 0.05 0.00 -1.68 0.00 0.00 37.83 34.56 2dsm s LYS 61 CO 0.01 -0.24 0.91 0.54 -0.76 0.00 0.00 175.35 175.80 2dsm s ASN 62 N -3.76 -0.19 0.00 2.83 4.22 -1.26 -5.00 114.94 111.77 2dsm s ASN 62 Ca 0.20 -0.45 0.20 0.00 -2.14 0.00 0.00 52.86 50.67 2dsm s ASN 62 Cb 0.05 0.54 1.12 0.00 1.28 0.00 0.00 41.25 44.24 2dsm s ASN 62 CO 0.10 -1.00 1.62 0.00 -2.04 0.00 0.00 177.10 175.78 2dsm n ALA 63 N -0.47 2.16 0.00 3.54 0.00 -1.26 -4.85 120.51 119.62 2dsm n ALA 63 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2dsm n ALA 63 Cb 0.60 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.15 0.00 -2.44 0.00 7.27 -1.26 -4.73 117.38 115.07 2dsm n GLN 64 Ca 0.12 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.77 2dsm n GLN 64 Cb 0.12 -0.09 0.00 0.00 2.41 0.00 0.00 30.24 32.68 2dsm n GLN 64 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2dsm n LEU 65 N 0.00 5.39 0.00 1.69 7.94 -1.26 -4.75 117.00 126.02 2dsm n LEU 65 Ca 0.00 -4.03 0.09 0.00 -1.11 0.00 0.00 56.01 50.96 2dsm n LEU 65 Cb 0.00 -1.71 0.54 0.00 0.53 0.00 0.00 43.42 42.78 2dsm n LEU 65 CO 0.00 0.43 0.77 -0.62 -1.11 0.00 0.00 177.39 176.86 2dsm n GLU 66 N 7.57 0.50 0.00 1.96 1.02 -1.26 -3.27 120.64 127.17 2dsm n GLU 66 Ca 0.48 0.03 0.07 0.00 -0.02 0.00 0.00 57.16 57.72 2dsm n GLU 66 Cb 0.44 -1.50 0.38 0.00 -0.02 0.00 0.00 31.44 30.74 2dsm n GLU 66 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2dsm n HIS 67 N -1.09 0.00 1.01 -0.32 8.25 -1.26 -1.29 115.22 120.52 2dsm n HIS 67 Ca 0.13 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.69 2dsm n HIS 67 Cb 0.09 -0.12 0.54 0.00 1.12 0.00 0.00 29.99 31.61 2dsm n HIS 67 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2dsm n HIS 68 N -1.12 0.00 -2.92 4.41 1.44 -1.20 -3.87 115.22 111.96 2dsm n HIS 68 Ca 0.09 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.36 2dsm n HIS 68 Cb 0.07 -0.28 -0.03 0.00 0.12 0.00 0.00 29.99 29.88 2dsm n HIS 68 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2dsm s HIS 69 N -2.55 3.06 -0.25 -1.40 3.76 -0.41 -5.01 115.29 112.49 2dsm s HIS 69 Ca 0.20 -1.29 0.02 0.00 -0.15 0.00 0.00 55.06 53.84 2dsm s HIS 69 Cb 0.14 -4.28 0.06 0.00 1.11 0.00 0.00 32.58 29.61 2dsm s HIS 69 CO 0.32 -1.51 -0.08 -3.38 -0.85 0.00 0.00 174.74 169.24 2dsm s HIS 70 N 2.86 2.92 0.03 1.40 -3.43 -1.25 -4.80 115.29 113.02 2dsm s HIS 70 Ca 0.31 -2.12 0.03 0.00 -0.80 0.00 0.00 55.06 52.48 2dsm s HIS 70 Cb -0.06 -1.83 -0.25 0.00 -1.43 0.00 0.00 32.58 29.01 2dsm s HIS 70 CO -0.07 -0.84 0.95 0.45 -2.00 0.00 0.00 174.74 173.22 2dsm h HIS 71 N 7.84 0.24 0.00 0.38 3.86 -1.95 -3.54 115.15 121.98 2dsm h HIS 71 Ca -0.18 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 2dsm h HIS 71 Cb 1.05 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.51 2dsm h HIS 71 CO 0.57 1.20 0.00 1.58 0.86 0.00 0.00 177.93 182.14