#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 0.36 0.04 2.03 3.14 -1.26 -4.83 118.33 117.80 2dsm n VAL 2 Ca 0.00 -4.27 0.00 0.00 -2.96 0.00 0.00 64.34 57.11 2dsm n VAL 2 Cb 0.00 -1.95 0.00 0.00 -1.06 0.00 0.00 33.84 30.83 2dsm n VAL 2 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2dsm n GLU 3 N 2.02 0.00 -3.20 1.45 1.02 -1.26 -5.08 120.64 115.59 2dsm n GLU 3 Ca 0.25 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.39 2dsm n GLU 3 Cb 0.43 -0.02 -0.02 0.00 -0.02 0.00 0.00 31.44 31.82 2dsm n GLU 3 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2dsm s ASN 4 N -4.38 -0.94 -0.41 1.62 3.84 -1.26 -5.11 114.94 108.30 2dsm s ASN 4 Ca 0.00 0.07 -0.27 0.00 0.21 0.00 0.00 52.86 52.87 2dsm s ASN 4 Cb 0.00 1.73 -0.05 0.00 -0.55 0.00 0.00 41.25 42.38 2dsm s ASN 4 CO 0.00 -0.31 2.24 -2.84 -2.79 0.00 0.00 177.10 173.40 2dsm s PRO 5 N 2.74 2.56 -1.12 0.43 0.02 -1.26 -4.86 135.00 133.51 2dsm s PRO 5 Ca 0.11 1.50 -0.19 0.00 0.02 0.00 0.00 61.00 62.44 2dsm s PRO 5 Cb -0.11 -4.47 -0.06 0.00 0.02 0.00 0.00 34.50 29.88 2dsm s PRO 5 CO -0.27 -2.75 2.00 0.00 -0.33 0.00 0.00 177.00 175.65 2dsm n MET 6 N 8.91 2.17 0.10 5.54 0.00 -1.26 -4.51 117.12 128.06 2dsm n MET 6 Ca 0.32 -2.36 0.12 0.00 0.00 0.00 0.00 57.70 55.78 2dsm n MET 6 Cb 0.51 -3.23 0.20 0.00 0.00 0.00 0.00 33.22 30.70 2dsm n MET 6 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 2dsm h VAL 7 N 4.71 0.00 -3.38 3.17 -1.51 -2.07 -3.41 116.25 113.76 2dsm h VAL 7 Ca 0.44 -0.63 -0.63 0.00 -1.23 0.00 0.00 66.70 64.66 2dsm h VAL 7 Cb 0.72 1.35 -0.40 0.00 -2.13 0.00 0.00 31.29 30.83 2dsm h VAL 7 CO 1.77 0.00 -0.70 -0.51 -1.23 0.00 0.00 177.57 176.90 2dsm s ILE 8 N -3.19 2.02 -0.74 7.19 2.07 -1.26 -5.00 121.20 122.30 2dsm s ILE 8 Ca 0.06 -2.57 0.01 0.00 -1.41 0.00 0.00 60.65 56.74 2dsm s ILE 8 Cb 0.12 -2.45 0.18 0.00 0.13 0.00 0.00 42.46 40.44 2dsm s ILE 8 CO 0.69 -0.73 0.56 0.21 -1.91 0.00 0.00 174.94 173.77 2dsm s ASN 9 N 0.51 5.28 0.09 4.50 2.47 -1.26 -5.09 114.94 121.44 2dsm s ASN 9 Ca 0.14 -3.51 0.04 0.00 0.42 0.00 0.00 52.86 49.95 2dsm s ASN 9 Cb -0.22 -1.78 -0.04 0.00 -1.45 0.00 0.00 41.25 37.76 2dsm s ASN 9 CO -0.06 -0.19 0.04 0.21 -3.72 0.00 0.00 177.10 173.37 2dsm s ASN 10 N -0.40 5.27 0.12 -4.21 2.47 -1.26 -5.08 114.94 111.84 2dsm s ASN 10 Ca 0.23 -0.10 -0.30 0.00 0.42 0.00 0.00 52.86 53.11 2dsm s ASN 10 Cb -0.11 -1.34 -0.07 0.00 -1.45 0.00 0.00 41.25 38.28 2dsm s ASN 10 CO -0.10 0.17 1.24 -1.66 -3.72 0.00 0.00 177.10 173.02 2dsm s TRP 11 N -1.36 3.39 0.00 0.43 1.48 -1.26 -4.88 118.94 116.75 2dsm s TRP 11 Ca 0.28 1.28 0.00 0.00 -1.06 0.00 0.00 56.10 56.59 2dsm s TRP 11 Cb -0.12 -3.48 0.00 0.00 -1.16 0.00 0.00 33.47 28.71 2dsm s TRP 11 CO 0.20 -1.47 0.00 0.72 -4.06 0.00 0.00 176.95 172.34 2dsm n HIS 12 N 3.39 0.00 0.01 1.66 8.25 -1.26 -5.01 115.22 122.27 2dsm n HIS 12 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2dsm n HIS 12 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 2dsm n HIS 12 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2dsm n ASP 13 N -0.33 -0.27 -2.64 0.41 2.03 -1.26 -5.16 116.55 109.34 2dsm n ASP 13 Ca 0.00 0.31 -0.05 0.00 0.52 0.00 0.00 54.79 55.56 2dsm n ASP 13 Cb 0.00 0.52 0.02 0.00 -0.72 0.00 0.00 41.12 40.94 2dsm n ASP 13 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2dsm n LYS 14 N -2.61 0.76 -4.60 -0.67 2.85 -1.26 -5.19 118.16 107.44 2dsm n LYS 14 Ca 0.00 -1.56 -0.27 0.00 -1.05 0.00 0.00 58.31 55.43 2dsm n LYS 14 Cb 0.00 2.00 -0.11 0.00 -0.65 0.00 0.00 35.03 36.27 2dsm n LYS 14 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 2dsm s LEU 15 N 0.00 2.84 0.00 -5.58 2.34 -1.26 -4.97 118.68 112.06 2dsm s LEU 15 Ca 0.15 -1.33 -0.03 0.00 0.06 0.00 0.00 54.13 52.98 2dsm s LEU 15 Cb -0.03 -0.92 0.07 0.00 -0.56 0.00 0.00 46.19 44.74 2dsm s LEU 15 CO 0.07 -0.39 0.41 1.07 -1.06 0.00 0.00 176.35 176.45 2dsm n THR 16 N -0.93 0.00 -2.38 5.48 5.66 -1.26 -4.87 114.28 115.99 2dsm n THR 16 Ca -0.05 -0.44 -0.02 0.00 -3.05 0.00 0.00 64.05 60.49 2dsm n THR 16 Cb 0.66 -1.54 -0.02 0.00 -1.55 0.00 0.00 70.33 67.88 2dsm n THR 16 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2dsm n GLU 17 N -1.83 -3.12 -0.02 1.09 -0.58 -1.26 -5.05 120.64 109.87 2dsm n GLU 17 Ca 0.06 2.52 -0.05 0.00 -0.42 0.00 0.00 57.16 59.27 2dsm n GLU 17 Cb 0.20 -4.25 -0.02 0.00 -0.57 0.00 0.00 31.44 26.80 2dsm n GLU 17 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2dsm n THR 18 N 0.92 0.59 -3.22 2.62 -1.04 -1.26 -4.92 114.28 107.97 2dsm n THR 18 Ca -0.16 0.03 -0.24 0.00 -2.04 0.00 0.00 64.05 61.64 2dsm n THR 18 Cb 0.25 -1.63 -0.06 0.00 -1.82 0.00 0.00 70.33 67.07 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 -3.39 1.61 -4.31 8.00 2.03 -1.26 -5.06 116.55 114.17 2dsm n ASP 19 Ca -0.10 -3.04 -0.32 0.00 0.52 0.00 0.00 54.79 51.85 2dsm n ASP 19 Cb 0.46 -0.64 -0.15 0.00 -0.72 0.00 0.00 41.12 40.07 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 -2.08 2.52 0.06 5.18 1.01 -1.26 -4.90 120.40 120.94 2dsm s VAL 20 Ca 0.39 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 2dsm s VAL 20 Cb 0.21 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2dsm s VAL 20 CO -0.08 0.55 0.04 0.00 0.00 0.00 0.00 175.10 175.61 2dsm s GLN 21 N 0.11 0.67 0.05 2.72 -2.07 -1.22 -5.07 119.66 114.86 2dsm s GLN 21 Ca -0.09 -1.10 0.04 0.00 -1.82 0.00 0.00 55.36 52.38 2dsm s GLN 21 Cb -0.16 0.25 -0.03 0.00 -1.09 0.00 0.00 33.01 31.98 2dsm s GLN 21 CO 0.06 -0.15 -0.11 0.42 -1.32 0.00 0.00 175.29 174.18 2dsm s ILE 22 N -3.75 0.84 0.12 3.63 1.01 -1.26 0.00 121.20 121.79 2dsm s ILE 22 Ca 0.05 -1.16 -0.02 0.00 0.00 0.00 0.00 60.65 59.52 2dsm s ILE 22 Cb 0.06 -0.84 0.03 0.00 0.01 0.00 0.00 42.46 41.71 2dsm s ILE 22 CO -0.10 -0.27 0.15 -0.90 0.00 0.00 0.00 174.94 173.82 2dsm n ASP 23 N 1.44 -0.14 0.17 3.58 5.75 -1.26 -4.45 116.55 121.64 2dsm n ASP 23 Ca -0.22 -0.99 0.03 0.00 -0.01 0.00 0.00 54.79 53.60 2dsm n ASP 23 Cb 0.54 -0.12 0.27 0.00 -1.03 0.00 0.00 41.12 40.78 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 -1.16 0.00 -0.00 2.11 3.57 -0.64 -3.08 116.94 117.74 2dsm h PHE 24 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2dsm h PHE 24 Cb 0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.88 2dsm h PHE 24 CO 0.00 0.48 -0.26 0.66 -2.23 0.00 0.00 178.31 176.96 2dsm n TYR 25 N -3.67 0.00 -2.47 0.41 4.02 -1.26 -4.94 117.16 109.25 2dsm n TYR 25 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2dsm n TYR 25 Cb 0.55 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 2dsm n TYR 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2dsm n GLY 26 N 1.43 0.94 0.00 2.72 0.00 -1.16 -5.03 105.19 104.09 2dsm n GLY 26 Ca 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 1.51 0.00 0.00 1.61 -0.08 -1.26 -5.00 116.55 113.32 2dsm n ASP 27 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2dsm n ASP 27 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 2dsm n ASP 27 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2dsm n GLU 28 N -0.02 0.00 -4.21 -0.67 2.13 -1.26 -4.91 120.64 111.69 2dsm n GLU 28 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 2dsm n GLU 28 Cb 0.00 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.55 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 -1.21 1.82 0.31 6.31 1.01 0.10 -4.76 120.40 123.99 2dsm s VAL 29 Ca 0.00 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.28 2dsm s VAL 29 Cb 0.00 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 2dsm s VAL 29 CO 0.00 0.50 -0.08 0.42 0.00 0.00 0.00 175.10 175.94 2dsm s THR 30 N 1.25 2.60 -0.68 3.92 -4.23 -1.26 -3.37 115.64 113.87 2dsm s THR 30 Ca 0.02 -2.15 0.04 0.00 -1.18 0.00 0.00 61.69 58.43 2dsm s THR 30 Cb -0.14 -2.63 0.04 0.00 1.34 0.00 0.00 72.50 71.12 2dsm s THR 30 CO -0.09 -0.28 1.07 -2.65 -0.54 0.00 0.00 174.62 172.13 2dsm n PRO 31 N -0.81 0.03 -0.07 3.99 -0.02 -1.26 0.05 135.00 136.90 2dsm n PRO 31 Ca -0.05 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 2dsm n PRO 31 Cb 0.62 -1.67 0.26 0.00 -0.02 0.00 0.00 33.50 32.68 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 -1.61 0.19 -3.87 -1.45 0.24 -1.26 -4.88 118.33 105.69 2dsm n VAL 32 Ca -0.00 -0.51 -0.37 0.00 -2.04 0.00 0.00 64.34 61.42 2dsm n VAL 32 Cb 0.09 0.98 -0.06 0.00 -1.47 0.00 0.00 33.84 33.37 2dsm n VAL 32 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2dsm s ASP 33 N -1.77 6.40 -0.45 -1.34 1.01 0.11 -5.06 116.67 115.57 2dsm s ASP 33 Ca 0.34 0.48 -0.27 0.00 0.71 0.00 0.00 52.55 53.81 2dsm s ASP 33 Cb 0.21 -2.07 0.03 0.00 1.01 0.00 0.00 42.92 42.09 2dsm s ASP 33 CO 0.30 0.39 0.99 -1.81 0.21 0.00 0.00 175.17 175.26 2dsm s ASP 34 N -1.11 6.58 0.06 0.27 1.01 -1.26 -4.83 116.67 117.39 2dsm s ASP 34 Ca 0.16 0.33 -0.00 0.00 0.71 0.00 0.00 52.55 53.75 2dsm s ASP 34 Cb -0.12 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2dsm s ASP 34 CO 0.06 -1.07 -0.04 -0.72 0.21 0.00 0.00 175.17 173.60 2dsm s TYR 35 N 3.91 0.59 -0.00 4.23 1.13 -1.26 -0.25 117.35 125.69 2dsm s TYR 35 Ca 0.41 -0.95 0.02 0.00 -1.41 0.00 0.00 57.07 55.14 2dsm s TYR 35 Cb -0.10 -0.40 -0.01 0.00 -1.10 0.00 0.00 41.96 40.36 2dsm s TYR 35 CO 0.26 -0.29 -0.08 0.08 -2.51 0.00 0.00 175.55 173.01 2dsm s VAL 36 N -3.47 0.63 -0.26 -3.49 1.01 0.44 -4.85 120.40 110.41 2dsm s VAL 36 Ca 0.05 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 2dsm s VAL 36 Cb 0.05 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 2dsm s VAL 36 CO -0.07 0.15 0.15 -0.63 0.00 0.00 0.00 175.10 174.69 2dsm s ILE 37 N -0.25 5.01 -0.82 2.22 1.01 -1.26 -0.74 121.20 126.37 2dsm s ILE 37 Ca 0.02 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 2dsm s ILE 37 Cb -0.03 -3.36 0.21 0.00 0.01 0.00 0.00 42.46 39.28 2dsm s ILE 37 CO -0.00 0.30 0.73 -0.62 0.00 0.00 0.00 174.94 175.35 2dsm s ASP 38 N 1.55 6.46 0.00 3.58 2.15 0.31 -4.63 116.67 126.09 2dsm s ASP 38 Ca 0.07 -2.86 0.00 0.00 0.43 0.00 0.00 52.55 50.18 2dsm s ASP 38 Cb -0.15 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 2dsm s ASP 38 CO 0.08 -0.48 0.00 0.61 -0.17 0.00 0.00 175.17 175.20 2dsm n GLY 39 N 3.67 2.96 0.00 2.66 0.00 -1.26 -3.17 105.19 110.05 2dsm n GLY 39 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.10 0.54 3.71 -0.02 0.00 -1.26 -4.33 105.19 102.74 2dsm n GLY 40 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.52 0.07 1.61 0.41 -1.19 -5.04 118.70 119.07 2dsm s GLU 41 Ca 0.00 1.21 -0.22 0.00 -0.41 0.00 0.00 54.97 55.56 2dsm s GLU 41 Cb 0.00 -3.45 -0.06 0.00 -1.78 0.00 0.00 34.13 28.84 2dsm s GLU 41 CO 0.00 0.01 0.65 0.42 -0.49 0.00 0.00 175.26 175.85 2dsm s ILE 42 N 0.86 4.71 -0.04 -1.63 1.01 -1.26 -0.53 121.20 124.32 2dsm s ILE 42 Ca 0.46 1.39 -0.01 0.00 0.00 0.00 0.00 60.65 62.49 2dsm s ILE 42 Cb -0.20 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.31 2dsm s ILE 42 CO 0.24 0.48 0.03 -0.63 0.00 0.00 0.00 174.94 175.06 2dsm s ILE 43 N -0.70 0.05 0.56 2.92 1.09 0.08 0.18 121.20 125.38 2dsm s ILE 43 Ca 0.32 0.24 -0.19 0.00 -1.10 0.00 0.00 60.65 59.92 2dsm s ILE 43 Cb -0.20 -0.22 -0.07 0.00 -1.06 0.00 0.00 42.46 40.91 2dsm s ILE 43 CO 0.21 0.16 0.84 0.18 -0.10 0.00 0.00 174.94 176.22 2dsm n LEU 44 N 4.67 2.62 0.06 2.97 4.77 -1.26 -0.42 117.00 130.41 2dsm n LEU 44 Ca -0.16 0.83 0.06 0.00 -0.03 0.00 0.00 56.01 56.70 2dsm n LEU 44 Cb 0.50 -1.32 0.29 0.00 -2.33 0.00 0.00 43.42 40.56 2dsm n LEU 44 CO 0.15 -2.16 0.68 0.54 -1.33 0.00 0.00 177.39 175.28 2dsm n ARG 45 N -0.52 0.07 0.07 3.23 5.12 0.65 0.23 116.66 125.50 2dsm n ARG 45 Ca 0.12 0.49 0.12 0.00 -1.93 0.00 0.00 57.85 56.65 2dsm n ARG 45 Cb 0.46 -1.68 0.17 0.00 -1.16 0.00 0.00 32.46 30.25 2dsm n ARG 45 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2dsm h GLU 46 N 0.00 0.00 0.00 5.56 5.08 -1.89 -3.34 114.58 120.00 2dsm h GLU 46 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dsm h GLU 46 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2dsm h GLU 46 CO 0.00 0.00 -0.49 0.09 -1.00 0.00 0.00 179.01 177.61 2dsm n ASN 47 N -2.17 1.62 -0.17 1.42 3.02 0.02 -4.70 115.26 114.30 2dsm n ASN 47 Ca 0.03 -0.37 -0.05 0.00 -0.03 0.00 0.00 54.58 54.16 2dsm n ASN 47 Cb 0.45 1.05 0.12 0.00 -0.61 0.00 0.00 39.78 40.79 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 0.00 0.89 -0.39 3.41 5.85 -0.34 -2.85 115.31 121.89 2dsm h LEU 48 Ca 0.00 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.60 2dsm h LEU 48 Cb 0.09 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.80 2dsm h LEU 48 CO 0.00 0.90 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.49 2dsm h GLU 49 N 0.89 -0.11 -0.34 1.25 4.39 -1.83 0.23 114.58 119.06 2dsm h GLU 49 Ca 0.18 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.78 2dsm h GLU 49 Cb 0.40 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2dsm h GLU 49 CO 0.01 -0.07 -0.22 -0.09 -1.16 0.00 0.00 179.01 177.47 2dsm h ARG 50 N -0.11 0.65 -0.39 2.33 9.65 -1.88 -1.76 114.38 122.86 2dsm h ARG 50 Ca 0.19 -0.25 -0.06 0.00 -1.10 0.00 0.00 59.98 58.77 2dsm h ARG 50 Cb 0.41 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 2dsm h ARG 50 CO -0.46 0.82 0.03 -0.92 2.80 0.00 0.00 179.97 182.24 2dsm h TYR 51 N 0.57 0.73 0.00 2.20 3.20 -0.88 -1.32 116.97 121.47 2dsm h TYR 51 Ca 0.08 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2dsm h TYR 51 Cb 0.69 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 2dsm h TYR 51 CO 0.03 0.73 -0.15 -0.07 -1.64 0.00 0.00 178.16 177.07 2dsm h LEU 52 N 0.51 0.00 -0.19 2.82 3.38 -0.53 0.17 115.31 121.46 2dsm h LEU 52 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2dsm h LEU 52 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2dsm h LEU 52 CO 0.01 0.15 -0.21 -0.09 0.09 0.00 0.00 178.44 178.39 2dsm h ARG 53 N 0.00 0.00 0.00 1.13 2.43 -0.71 -3.20 114.38 114.03 2dsm h ARG 53 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2dsm h ARG 53 Cb 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2dsm h ARG 53 CO 0.02 0.21 -0.68 0.39 -1.51 0.00 0.00 179.97 178.40 2dsm n GLU 54 N -3.17 0.47 -0.02 0.20 -0.58 -0.56 -4.90 120.64 112.09 2dsm n GLU 54 Ca 0.03 0.41 -0.01 0.00 -0.42 0.00 0.00 57.16 57.17 2dsm n GLU 54 Cb 0.58 -1.59 -0.00 0.00 -0.57 0.00 0.00 31.44 29.86 2dsm n GLU 54 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2dsm n GLN 55 N -4.54 0.11 -3.99 3.49 7.27 0.54 -4.94 117.38 115.32 2dsm n GLN 55 Ca -0.09 0.26 -0.32 0.00 0.07 0.00 0.00 57.00 56.91 2dsm n GLN 55 Cb 0.35 -0.92 -0.04 0.00 2.41 0.00 0.00 30.24 32.05 2dsm n GLN 55 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2dsm n LEU 56 N -2.83 -1.12 0.00 1.69 7.94 -1.21 -4.81 117.00 116.66 2dsm n LEU 56 Ca -0.02 -0.81 0.00 0.00 -1.11 0.00 0.00 56.01 54.07 2dsm n LEU 56 Cb 0.07 -1.77 0.00 0.00 0.53 0.00 0.00 43.42 42.26 2dsm n LEU 56 CO 0.03 0.15 0.20 0.61 -1.11 0.00 0.00 177.39 177.28 2dsm n GLY 57 N -1.11 -0.29 7.00 -3.96 0.00 -1.26 -5.11 105.19 100.46 2dsm n GLY 57 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.06 -0.35 -3.55 1.61 3.72 -1.26 -4.39 117.46 113.18 2dsm n PHE 58 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 2dsm n PHE 58 Cb 0.15 0.13 -0.09 0.00 -0.94 0.00 0.00 39.48 38.73 2dsm n PHE 58 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2dsm s GLU 59 N 0.00 2.58 -0.55 -1.08 2.56 -1.26 -4.64 118.70 116.31 2dsm s GLU 59 Ca 0.00 -1.62 -0.22 0.00 0.00 0.00 0.00 54.97 53.13 2dsm s GLU 59 Cb 0.00 -3.90 0.05 0.00 2.00 0.00 0.00 34.13 32.28 2dsm s GLU 59 CO 0.00 -1.10 0.83 -0.06 -0.56 0.00 0.00 175.26 174.37 2dsm s PHE 60 N 1.41 2.87 -0.47 5.30 0.08 -1.26 -4.99 117.98 120.93 2dsm s PHE 60 Ca 0.04 -0.29 0.03 0.00 0.12 0.00 0.00 56.93 56.83 2dsm s PHE 60 Cb -0.25 -3.91 0.12 0.00 -0.57 0.00 0.00 43.02 38.41 2dsm s PHE 60 CO 0.01 -1.28 0.21 0.15 -0.10 0.00 0.00 175.22 174.21 2dsm s LYS 61 N 3.47 1.89 -1.39 0.44 1.02 -1.26 -5.00 119.74 118.90 2dsm s LYS 61 Ca 0.23 -2.31 -0.12 0.00 0.02 0.00 0.00 55.97 53.79 2dsm s LYS 61 Cb -0.16 -3.36 0.09 0.00 -0.52 0.00 0.00 37.83 33.88 2dsm s LYS 61 CO 0.15 -1.06 2.09 0.09 -0.92 0.00 0.00 175.35 175.70 2dsm n ASN 62 N 3.65 4.33 0.00 2.83 3.02 -1.26 -4.87 115.26 122.96 2dsm n ASN 62 Ca 0.04 -2.94 0.00 0.00 -0.03 0.00 0.00 54.58 51.65 2dsm n ASN 62 Cb 0.37 -1.60 0.00 0.00 -0.61 0.00 0.00 39.78 37.94 2dsm n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dsm n ALA 63 N 5.33 0.00 -1.90 5.41 0.00 -1.26 -1.17 120.51 126.92 2dsm n ALA 63 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2dsm n ALA 63 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2dsm n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dsm n GLN 64 N 0.00 0.00 -2.11 0.00 10.64 -1.26 -5.09 117.38 119.55 2dsm n GLN 64 Ca 0.00 -0.35 -0.43 0.00 -1.83 0.00 0.00 57.00 54.39 2dsm n GLN 64 Cb 0.00 -0.20 -0.03 0.00 -0.86 0.00 0.00 30.24 29.15 2dsm n GLN 64 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2dsm s LEU 65 N 0.00 3.89 -1.02 2.61 1.43 -0.32 -4.92 118.68 120.35 2dsm s LEU 65 Ca 0.00 1.62 -0.22 0.00 -1.03 0.00 0.00 54.13 54.49 2dsm s LEU 65 Cb 0.00 -3.53 0.06 0.00 0.03 0.00 0.00 46.19 42.75 2dsm s LEU 65 CO 0.00 -1.27 1.42 -0.70 0.23 0.00 0.00 176.35 176.04 2dsm s GLU 66 N 4.69 3.60 -0.28 1.70 2.56 -1.26 -4.63 118.70 125.08 2dsm s GLU 66 Ca 0.72 -1.21 0.21 0.00 0.00 0.00 0.00 54.97 54.68 2dsm s GLU 66 Cb -0.25 -5.32 0.49 0.00 2.00 0.00 0.00 34.13 31.06 2dsm s GLU 66 CO 0.29 -2.16 1.11 0.72 -0.56 0.00 0.00 175.26 174.66 2dsm n HIS 67 N 8.62 0.96 -2.13 5.30 8.25 -1.26 -5.09 115.22 129.87 2dsm n HIS 67 Ca 0.32 -2.25 -0.42 0.00 -0.26 0.00 0.00 57.72 55.11 2dsm n HIS 67 Cb 0.51 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.48 2dsm n HIS 67 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2dsm s HIS 68 N -3.34 2.36 0.22 4.41 3.76 -1.26 -4.63 115.29 116.81 2dsm s HIS 68 Ca 0.26 0.49 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 2dsm s HIS 68 Cb 0.36 -3.79 0.00 0.00 1.11 0.00 0.00 32.58 30.26 2dsm s HIS 68 CO -0.03 -3.14 0.00 0.72 -0.85 0.00 0.00 174.74 171.44 2dsm n HIS 69 N 6.55 -1.76 -2.30 1.40 8.25 -1.26 -5.03 115.22 121.08 2dsm n HIS 69 Ca 0.16 0.94 -0.26 0.00 -0.26 0.00 0.00 57.72 58.30 2dsm n HIS 69 Cb 0.43 -1.92 0.16 0.00 1.12 0.00 0.00 29.99 29.79 2dsm n HIS 69 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2dsm n HIS 70 N -1.33 -3.43 0.02 4.41 -0.00 -1.26 -4.98 115.22 108.64 2dsm n HIS 70 Ca 0.00 -1.51 -0.04 0.00 -0.00 0.00 0.00 57.72 56.17 2dsm n HIS 70 Cb 0.07 -0.88 0.19 0.00 -0.00 0.00 0.00 29.99 29.37 2dsm n HIS 70 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2dsm h HIS 71 N -1.16 0.53 0.00 4.41 3.86 -1.98 -3.54 115.15 117.26 2dsm h HIS 71 Ca -0.38 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 2dsm h HIS 71 Cb 1.22 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.57 2dsm h HIS 71 CO 0.00 0.72 0.00 1.58 0.86 0.00 0.00 177.93 181.09