#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 -2.10 2.03 0.24 -1.26 -4.98 118.33 112.62 2dsm n VAL 2 Ca 0.00 -0.68 -0.17 0.00 -2.04 0.00 0.00 64.34 61.45 2dsm n VAL 2 Cb 0.00 1.09 0.10 0.00 -1.47 0.00 0.00 33.84 33.56 2dsm n VAL 2 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2dsm n GLU 3 N 1.21 -0.31 -4.19 7.34 4.71 -1.26 -5.11 120.64 123.04 2dsm n GLU 3 Ca 0.15 -1.62 -0.24 0.00 -0.01 0.00 0.00 57.16 55.44 2dsm n GLU 3 Cb 0.53 -0.65 -0.06 0.00 -1.01 0.00 0.00 31.44 30.25 2dsm n GLU 3 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2dsm s ASN 4 N -3.95 5.03 0.00 1.62 4.22 -1.26 -5.01 114.94 115.59 2dsm s ASN 4 Ca 0.47 -0.39 0.06 0.00 -2.14 0.00 0.00 52.86 50.85 2dsm s ASN 4 Cb -0.02 -1.14 0.35 0.00 1.28 0.00 0.00 41.25 41.72 2dsm s ASN 4 CO 0.32 0.02 1.01 -2.65 -2.04 0.00 0.00 177.10 173.76 2dsm n PRO 5 N -0.72 0.75 -3.47 3.55 -0.02 -1.26 -4.14 135.00 129.69 2dsm n PRO 5 Ca -0.08 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.12 2dsm n PRO 5 Cb 0.57 -1.12 -0.11 0.00 -0.02 0.00 0.00 33.50 32.82 2dsm n PRO 5 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2dsm s MET 6 N -2.00 0.83 0.18 -0.52 -1.94 -1.26 -4.97 119.30 109.62 2dsm s MET 6 Ca 0.09 -1.77 -0.10 0.00 -1.71 0.00 0.00 55.69 52.19 2dsm s MET 6 Cb 0.04 -1.52 0.08 0.00 2.01 0.00 0.00 34.83 35.45 2dsm s MET 6 CO 0.07 -1.28 1.69 0.28 -0.01 0.00 0.00 175.02 175.77 2dsm h VAL 7 N 4.87 1.26 -2.41 -6.03 2.07 -2.02 -3.30 116.25 110.68 2dsm h VAL 7 Ca 0.14 -0.94 -0.66 0.00 0.82 0.00 0.00 66.70 66.06 2dsm h VAL 7 Cb 0.93 0.64 -0.16 0.00 -1.52 0.00 0.00 31.29 31.19 2dsm h VAL 7 CO 0.34 0.35 0.76 -0.51 0.02 0.00 0.00 177.57 178.53 2dsm s ILE 8 N -5.30 4.51 0.18 4.57 2.07 -1.26 -5.02 121.20 120.95 2dsm s ILE 8 Ca -0.12 -1.03 -0.19 0.00 -1.41 0.00 0.00 60.65 57.90 2dsm s ILE 8 Cb 0.14 -4.76 -0.08 0.00 0.13 0.00 0.00 42.46 37.89 2dsm s ILE 8 CO 0.83 -1.52 0.68 0.21 -1.91 0.00 0.00 174.94 173.23 2dsm s ASN 9 N 3.75 7.06 0.09 4.50 3.84 -1.24 -5.08 114.94 127.86 2dsm s ASN 9 Ca 0.29 1.37 0.05 0.00 0.21 0.00 0.00 52.86 54.78 2dsm s ASN 9 Cb -0.09 -2.40 -0.03 0.00 -0.55 0.00 0.00 41.25 38.17 2dsm s ASN 9 CO -0.02 0.11 -0.13 0.54 -2.79 0.00 0.00 177.10 174.81 2dsm s ASN 10 N -1.51 1.68 0.00 -4.21 2.20 -1.26 -4.68 114.94 107.16 2dsm s ASN 10 Ca 0.39 -0.70 0.00 0.00 -0.94 0.00 0.00 52.86 51.61 2dsm s ASN 10 Cb -0.18 -0.04 0.00 0.00 -2.00 0.00 0.00 41.25 39.03 2dsm s ASN 10 CO 0.21 -0.13 0.00 1.87 -2.94 0.00 0.00 177.10 176.11 2dsm n TRP 11 N 0.96 0.00 1.52 1.54 -0.00 -1.26 -4.25 117.44 115.95 2dsm n TRP 11 Ca -0.19 0.00 0.15 0.00 -0.00 0.00 0.00 57.50 57.46 2dsm n TRP 11 Cb 0.55 0.00 0.78 0.00 -0.00 0.00 0.00 31.31 32.65 2dsm n TRP 11 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 2dsm n HIS 12 N 0.00 0.00 -2.01 5.87 8.25 -1.26 -4.81 115.22 121.26 2dsm n HIS 12 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 2dsm n HIS 12 Cb 0.00 -0.23 0.03 0.00 1.12 0.00 0.00 29.99 30.91 2dsm n HIS 12 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2dsm s ASP 13 N -2.46 5.38 0.00 0.41 2.15 -1.26 -4.86 116.67 116.03 2dsm s ASP 13 Ca 0.32 2.13 0.00 0.00 0.43 0.00 0.00 52.55 55.43 2dsm s ASP 13 Cb 0.20 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2dsm s ASP 13 CO 0.43 -1.45 0.00 1.17 -0.17 0.00 0.00 175.17 175.15 2dsm n LYS 14 N -1.82 0.00 -2.90 4.34 4.81 -1.26 -5.01 118.16 116.32 2dsm n LYS 14 Ca 0.11 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.31 2dsm n LYS 14 Cb 0.51 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.53 2dsm n LYS 14 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2dsm n LEU 15 N -0.89 3.66 -4.58 3.14 4.77 -1.26 -5.03 117.00 116.80 2dsm n LEU 15 Ca 0.00 -5.37 -0.41 0.00 -0.03 0.00 0.00 56.01 50.20 2dsm n LEU 15 Cb 0.00 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 40.77 2dsm n LEU 15 CO 0.00 2.28 0.29 0.42 -1.33 0.00 0.00 177.39 179.05 2dsm s THR 16 N -4.19 4.99 -0.40 -5.08 -4.23 -1.26 -5.02 115.64 100.46 2dsm s THR 16 Ca 0.46 0.62 0.03 0.00 -1.18 0.00 0.00 61.69 61.61 2dsm s THR 16 Cb 0.32 -3.96 0.11 0.00 1.34 0.00 0.00 72.50 70.32 2dsm s THR 16 CO -0.13 -0.15 0.14 -1.83 -0.54 0.00 0.00 174.62 172.12 2dsm s GLU 17 N 2.48 1.41 0.00 3.99 -1.05 -1.26 -4.84 118.70 119.43 2dsm s GLU 17 Ca 0.22 -1.92 0.00 0.00 -0.15 0.00 0.00 54.97 53.12 2dsm s GLU 17 Cb -0.15 -2.83 0.00 0.00 -0.44 0.00 0.00 34.13 30.71 2dsm s GLU 17 CO 0.12 -1.03 0.00 2.41 0.95 0.00 0.00 175.26 177.71 2dsm n THR 18 N 3.97 0.00 -0.86 1.83 -1.04 -1.26 -4.73 114.28 112.19 2dsm n THR 18 Ca 0.04 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.12 2dsm n THR 18 Cb 0.38 -0.72 0.38 0.00 -1.82 0.00 0.00 70.33 68.56 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 -2.48 5.38 -4.06 8.00 2.03 -1.26 -4.87 116.55 119.29 2dsm n ASP 19 Ca 0.00 -2.85 -0.31 0.00 0.52 0.00 0.00 54.79 52.15 2dsm n ASP 19 Cb 0.35 -0.65 -0.16 0.00 -0.72 0.00 0.00 41.12 39.94 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 -2.60 1.70 0.44 5.18 1.01 -1.26 -4.62 120.40 120.24 2dsm s VAL 20 Ca 0.53 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.84 2dsm s VAL 20 Cb 0.39 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2dsm s VAL 20 CO 0.17 0.48 0.17 -1.10 0.00 0.00 0.00 175.10 174.82 2dsm s GLN 21 N 1.28 2.20 -0.01 2.72 1.11 -0.49 -4.91 119.66 121.57 2dsm s GLN 21 Ca 0.01 -1.95 0.01 0.00 0.01 0.00 0.00 55.36 53.45 2dsm s GLN 21 Cb -0.14 -1.91 -0.00 0.00 -1.01 0.00 0.00 33.01 29.95 2dsm s GLN 21 CO -0.08 -0.19 -0.05 0.42 0.01 0.00 0.00 175.29 175.40 2dsm s ILE 22 N -2.66 0.37 0.00 1.08 1.01 -1.26 0.12 121.20 119.86 2dsm s ILE 22 Ca 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2dsm s ILE 22 Cb 0.04 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.19 2dsm s ILE 22 CO 0.20 0.11 0.00 -0.90 0.00 0.00 0.00 174.94 174.35 2dsm n ASP 23 N 3.03 0.00 0.27 3.58 5.75 -1.26 -4.74 116.55 123.17 2dsm n ASP 23 Ca -0.14 -0.70 0.17 0.00 -0.01 0.00 0.00 54.79 54.11 2dsm n ASP 23 Cb 0.58 0.00 0.65 0.00 -1.03 0.00 0.00 41.12 41.32 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 -0.40 0.00 -0.02 2.11 3.57 -0.46 -2.80 116.94 118.95 2dsm h PHE 24 Ca 0.00 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 2dsm h PHE 24 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2dsm h PHE 24 CO 0.00 0.00 -0.77 -0.92 -2.23 0.00 0.00 178.31 174.39 2dsm h TYR 25 N 0.00 0.26 0.00 0.41 3.20 -1.93 -3.48 116.97 115.43 2dsm h TYR 25 Ca 0.00 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.74 2dsm h TYR 25 Cb 0.53 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.77 2dsm h TYR 25 CO 0.00 0.88 0.00 0.41 -1.64 0.00 0.00 178.16 177.81 2dsm n GLY 26 N 0.64 0.96 0.00 1.82 0.00 -1.06 -5.02 105.19 102.53 2dsm n GLY 26 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 1.00 0.00 -3.63 1.61 -0.08 -1.26 -5.00 116.55 109.19 2dsm n ASP 27 Ca 0.00 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.24 2dsm n ASP 27 Cb 0.14 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.56 2dsm n ASP 27 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2dsm s GLU 28 N 0.00 0.17 -0.13 -0.67 2.12 -1.26 -4.93 118.70 113.99 2dsm s GLU 28 Ca 0.00 0.03 -0.01 0.00 0.36 0.00 0.00 54.97 55.35 2dsm s GLU 28 Cb 0.00 0.08 0.03 0.00 0.26 0.00 0.00 34.13 34.51 2dsm s GLU 28 CO 0.00 -0.06 -0.04 0.08 -0.54 0.00 0.00 175.26 174.70 2dsm s VAL 29 N -1.12 0.89 0.39 3.70 1.01 0.12 -4.77 120.40 120.62 2dsm s VAL 29 Ca 0.07 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.76 2dsm s VAL 29 Cb -0.01 -1.04 -0.06 0.00 0.00 0.00 0.00 36.38 35.27 2dsm s VAL 29 CO -0.06 0.21 0.08 0.42 0.00 0.00 0.00 175.10 175.75 2dsm s THR 30 N 1.74 2.31 -2.00 3.92 -4.23 -1.26 -1.39 115.64 114.73 2dsm s THR 30 Ca 0.03 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 2dsm s THR 30 Cb -0.14 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.77 2dsm s THR 30 CO -0.07 -0.06 0.40 -0.81 -0.54 0.00 0.00 174.62 173.53 2dsm n PRO 31 N -1.08 0.39 -0.08 3.99 -0.04 -1.26 -0.61 135.00 136.31 2dsm n PRO 31 Ca -0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.46 2dsm n PRO 31 Cb 0.65 -1.01 0.08 0.00 -0.04 0.00 0.00 33.50 33.17 2dsm n PRO 31 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2dsm n VAL 32 N -0.51 0.68 -4.28 0.52 0.24 -1.26 -5.00 118.33 108.72 2dsm n VAL 32 Ca 0.00 -0.84 -0.31 0.00 -2.04 0.00 0.00 64.34 61.15 2dsm n VAL 32 Cb 0.00 0.71 -0.09 0.00 -1.47 0.00 0.00 33.84 32.99 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 -0.87 4.84 -0.21 -1.34 1.01 0.22 -5.10 116.67 115.22 2dsm s ASP 33 Ca 0.13 -0.16 -0.17 0.00 0.71 0.00 0.00 52.55 53.06 2dsm s ASP 33 Cb 0.07 -1.14 -0.04 0.00 1.01 0.00 0.00 42.92 42.82 2dsm s ASP 33 CO 0.10 0.23 0.45 -1.81 0.21 0.00 0.00 175.17 174.35 2dsm s ASP 34 N -1.86 6.48 0.15 0.27 1.11 -1.26 -4.83 116.67 116.72 2dsm s ASP 34 Ca 0.21 0.56 -0.09 0.00 0.18 0.00 0.00 52.55 53.42 2dsm s ASP 34 Cb -0.11 -2.26 -0.01 0.00 1.07 0.00 0.00 42.92 41.61 2dsm s ASP 34 CO 0.13 -0.14 0.26 -0.72 1.18 0.00 0.00 175.17 175.87 2dsm s TYR 35 N 1.56 0.34 -0.01 4.23 1.13 -1.26 -0.70 117.35 122.64 2dsm s TYR 35 Ca 0.21 -0.72 0.01 0.00 -1.41 0.00 0.00 57.07 55.16 2dsm s TYR 35 Cb -0.15 -0.06 0.00 0.00 -1.10 0.00 0.00 41.96 40.65 2dsm s TYR 35 CO 0.09 -0.67 -0.04 0.08 -2.51 0.00 0.00 175.55 172.50 2dsm s VAL 36 N -3.94 0.35 -0.26 -3.49 1.01 0.62 -4.75 120.40 109.93 2dsm s VAL 36 Ca 0.14 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 2dsm s VAL 36 Cb 0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 2dsm s VAL 36 CO -0.03 0.12 0.19 -0.63 0.00 0.00 0.00 175.10 174.75 2dsm s ILE 37 N 0.14 5.32 -1.01 2.22 1.01 -1.26 -1.33 121.20 126.28 2dsm s ILE 37 Ca -0.01 0.21 -0.16 0.00 0.00 0.00 0.00 60.65 60.69 2dsm s ILE 37 Cb -0.05 -3.53 0.17 0.00 0.01 0.00 0.00 42.46 39.06 2dsm s ILE 37 CO -0.00 0.28 1.16 -0.62 0.00 0.00 0.00 174.94 175.76 2dsm s ASP 38 N 1.50 6.83 0.00 3.58 2.15 0.46 -4.58 116.67 126.61 2dsm s ASP 38 Ca 0.08 -2.53 0.00 0.00 0.43 0.00 0.00 52.55 50.53 2dsm s ASP 38 Cb -0.15 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 2dsm s ASP 38 CO 0.09 -0.84 0.00 0.61 -0.17 0.00 0.00 175.17 174.85 2dsm n GLY 39 N 4.67 1.37 0.00 2.66 0.00 -1.26 -2.96 105.19 109.66 2dsm n GLY 39 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 3.75 -0.02 0.00 -1.26 -4.12 105.19 103.54 2dsm n GLY 40 Ca 0.00 0.00 -0.40 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 -0.06 4.55 -0.07 1.61 0.41 -1.16 -5.05 118.70 118.94 2dsm s GLU 41 Ca 0.00 1.16 -0.18 0.00 -0.41 0.00 0.00 54.97 55.53 2dsm s GLU 41 Cb 0.00 -3.35 -0.05 0.00 -1.78 0.00 0.00 34.13 28.95 2dsm s GLU 41 CO 0.00 0.30 0.50 0.42 -0.49 0.00 0.00 175.26 176.00 2dsm s ILE 42 N -0.18 5.08 -0.02 -1.63 1.01 -1.26 -0.40 121.20 123.80 2dsm s ILE 42 Ca 0.40 1.02 0.01 0.00 0.00 0.00 0.00 60.65 62.08 2dsm s ILE 42 Cb -0.21 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.43 2dsm s ILE 42 CO 0.25 0.39 -0.03 -0.63 0.00 0.00 0.00 174.94 174.92 2dsm s ILE 43 N 0.12 0.29 0.66 2.92 1.09 -0.44 0.35 121.20 126.20 2dsm s ILE 43 Ca 0.27 -0.06 -0.17 0.00 -1.10 0.00 0.00 60.65 59.59 2dsm s ILE 43 Cb -0.16 -0.31 -0.03 0.00 -1.06 0.00 0.00 42.46 40.89 2dsm s ILE 43 CO 0.13 0.13 0.85 0.18 -0.10 0.00 0.00 174.94 176.13 2dsm n LEU 44 N 3.59 2.95 0.00 2.97 4.77 -1.26 -0.27 117.00 129.74 2dsm n LEU 44 Ca -0.20 0.71 0.05 0.00 -0.03 0.00 0.00 56.01 56.54 2dsm n LEU 44 Cb 0.54 -1.35 0.23 0.00 -2.33 0.00 0.00 43.42 40.51 2dsm n LEU 44 CO 0.24 -2.24 0.63 -1.14 -1.33 0.00 0.00 177.39 173.56 2dsm n ARG 45 N -1.18 0.07 -0.03 3.23 0.00 0.12 -0.05 116.66 118.81 2dsm n ARG 45 Ca 0.13 0.27 -0.21 0.00 -0.00 0.00 0.00 57.85 58.04 2dsm n ARG 45 Cb 0.49 -1.50 -0.13 0.00 0.00 0.00 0.00 32.46 31.32 2dsm n ARG 45 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2dsm h GLU 46 N 0.00 0.15 -0.00 -0.14 4.81 -1.88 -3.36 114.58 114.16 2dsm h GLU 46 Ca 0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2dsm h GLU 46 Cb 0.13 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2dsm h GLU 46 CO 0.00 1.13 -0.14 -1.71 -0.73 0.00 0.00 179.01 177.55 2dsm n ASN 47 N -4.05 0.59 -0.03 1.04 5.15 -0.77 -4.07 115.26 113.12 2dsm n ASN 47 Ca -0.28 -0.62 -0.08 0.00 -0.60 0.00 0.00 54.58 53.00 2dsm n ASN 47 Cb 0.83 -0.03 -0.02 0.00 -0.53 0.00 0.00 39.78 40.03 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 0.70 -0.33 -0.42 1.20 5.85 -0.61 -2.47 115.31 119.22 2dsm h LEU 48 Ca 0.00 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.88 2dsm h LEU 48 Cb 0.40 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 2dsm h LEU 48 CO 0.00 -0.13 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.62 2dsm h GLU 49 N -0.09 0.09 -0.09 1.25 5.08 -1.81 -0.15 114.58 118.86 2dsm h GLU 49 Ca 0.11 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2dsm h GLU 49 Cb 0.24 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2dsm h GLU 49 CO -0.24 0.06 0.04 -0.09 -1.00 0.00 0.00 179.01 177.77 2dsm h ARG 50 N 0.09 0.08 -0.21 2.33 9.65 -1.77 -1.91 114.38 122.65 2dsm h ARG 50 Ca 0.21 -0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 59.03 2dsm h ARG 50 Cb 0.31 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 2dsm h ARG 50 CO -0.37 0.05 -0.11 -0.92 2.80 0.00 0.00 179.97 181.43 2dsm h TYR 51 N 0.09 0.35 0.00 2.20 3.20 -0.92 -0.18 116.97 121.71 2dsm h TYR 51 Ca 0.04 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 2dsm h TYR 51 Cb 0.01 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2dsm h TYR 51 CO -0.09 0.45 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.54 2dsm h LEU 52 N 0.32 0.00 -0.30 2.82 3.38 -0.75 -2.16 115.31 118.62 2dsm h LEU 52 Ca 0.06 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 2dsm h LEU 52 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2dsm h LEU 52 CO 0.02 0.27 -0.64 0.03 0.09 0.00 0.00 178.44 178.21 2dsm h ARG 53 N 0.00 0.77 0.06 1.13 3.08 -0.25 -3.15 114.38 116.02 2dsm h ARG 53 Ca -0.00 -0.54 -0.00 0.00 0.07 0.00 0.00 59.98 59.50 2dsm h ARG 53 Cb 0.82 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2dsm h ARG 53 CO 0.03 1.16 -0.03 0.93 -1.07 0.00 0.00 179.97 181.00 2dsm h GLU 54 N 0.57 -0.08 0.00 0.04 3.07 -1.01 -3.44 114.58 113.72 2dsm h GLU 54 Ca -0.01 0.01 -0.26 0.00 -0.50 0.00 0.00 59.36 58.59 2dsm h GLU 54 Cb 1.24 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 29.13 2dsm h GLU 54 CO 0.13 -0.06 -1.81 0.00 -1.40 0.00 0.00 179.01 175.88 2dsm n GLN 55 N -2.39 0.46 -4.11 2.33 10.64 -0.84 -4.99 117.38 118.49 2dsm n GLN 55 Ca -0.01 0.20 -0.32 0.00 -1.83 0.00 0.00 57.00 55.04 2dsm n GLN 55 Cb 0.03 -1.29 -0.02 0.00 -0.86 0.00 0.00 30.24 28.11 2dsm n GLN 55 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 2dsm n LEU 56 N -4.10 -1.94 0.00 2.61 7.94 -1.19 -4.87 117.00 115.45 2dsm n LEU 56 Ca -0.34 -0.99 0.00 0.00 -1.11 0.00 0.00 56.01 53.57 2dsm n LEU 56 Cb 0.69 -2.17 0.00 0.00 0.53 0.00 0.00 43.42 42.47 2dsm n LEU 56 CO 0.07 0.36 0.13 0.61 -1.11 0.00 0.00 177.39 177.44 2dsm n GLY 57 N -1.63 -0.27 7.00 -3.96 0.00 -1.26 -5.11 105.19 99.95 2dsm n GLY 57 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.32 -1.01 -3.52 1.61 3.72 -1.26 -4.01 117.46 112.67 2dsm n PHE 58 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2dsm n PHE 58 Cb 0.03 0.20 -0.08 0.00 -0.94 0.00 0.00 39.48 38.68 2dsm n PHE 58 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2dsm s GLU 59 N 0.00 2.62 -0.39 -1.08 0.41 -1.26 -4.68 118.70 114.33 2dsm s GLU 59 Ca 0.00 -1.64 -0.05 0.00 -0.41 0.00 0.00 54.97 52.86 2dsm s GLU 59 Cb 0.00 -3.96 0.08 0.00 -1.78 0.00 0.00 34.13 28.47 2dsm s GLU 59 CO 0.00 -1.14 0.18 0.12 -0.49 0.00 0.00 175.26 173.94 2dsm s PHE 60 N 1.43 3.40 0.11 1.61 2.19 -1.26 -5.00 117.98 120.47 2dsm s PHE 60 Ca 0.04 -1.88 0.02 0.00 0.33 0.00 0.00 56.93 55.44 2dsm s PHE 60 Cb -0.26 -2.84 -0.04 0.00 -1.31 0.00 0.00 43.02 38.57 2dsm s PHE 60 CO 0.01 -0.87 0.20 0.15 1.83 0.00 0.00 175.22 176.54 2dsm s LYS 61 N 1.30 3.26 -0.04 10.12 -0.14 -1.26 -5.11 119.74 127.87 2dsm s LYS 61 Ca 0.03 -0.60 -0.25 0.00 -1.36 0.00 0.00 55.97 53.79 2dsm s LYS 61 Cb -0.22 -2.90 0.05 0.00 -1.68 0.00 0.00 37.83 33.08 2dsm s LYS 61 CO -0.01 0.55 0.53 1.21 -0.76 0.00 0.00 175.35 176.88 2dsm s ASN 62 N -2.83 -0.48 0.00 2.83 3.84 -1.26 -5.02 114.94 112.03 2dsm s ASN 62 Ca 0.33 0.48 0.15 0.00 0.21 0.00 0.00 52.86 54.02 2dsm s ASN 62 Cb -0.12 0.46 0.73 0.00 -0.55 0.00 0.00 41.25 41.77 2dsm s ASN 62 CO 0.26 -0.54 1.40 0.00 -2.79 0.00 0.00 177.10 175.43 2dsm n ALA 63 N 1.07 1.82 -3.38 1.71 0.00 -1.26 -4.85 120.51 115.61 2dsm n ALA 63 Ca -0.20 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 52.98 2dsm n ALA 63 Cb 0.57 -1.24 0.07 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.29 -6.50 -0.88 0.00 7.27 -1.26 -4.89 117.38 109.83 2dsm n GLN 64 Ca 0.07 0.70 -0.17 0.00 0.07 0.00 0.00 57.00 57.67 2dsm n GLN 64 Cb 0.12 -5.36 0.05 0.00 2.41 0.00 0.00 30.24 27.46 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 -4.17 6.34 0.03 1.69 7.94 -1.26 -4.30 117.00 123.27 2dsm n LEU 65 Ca -0.05 -3.26 -0.13 0.00 -1.11 0.00 0.00 56.01 51.46 2dsm n LEU 65 Cb 0.57 -1.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.50 2dsm n LEU 65 CO 0.54 1.18 0.29 1.05 -1.11 0.00 0.00 177.39 179.34 2dsm h GLU 66 N 1.38 0.55 -6.36 1.96 -0.00 -2.01 -3.48 114.58 106.61 2dsm h GLU 66 Ca 0.31 -0.47 -0.42 0.00 -0.00 0.00 0.00 59.36 58.79 2dsm h GLU 66 Cb 1.05 0.11 0.04 0.00 -0.00 0.00 0.00 28.75 29.94 2dsm h GLU 66 CO 0.78 1.10 -0.86 1.58 -0.00 0.00 0.00 179.01 181.61 2dsm n HIS 67 N -3.86 -2.00 -1.56 2.06 -0.00 -1.26 -4.76 115.22 103.83 2dsm n HIS 67 Ca -0.06 0.58 -0.45 0.00 0.46 0.00 0.00 57.72 58.25 2dsm n HIS 67 Cb 0.75 -3.25 -0.04 0.00 -0.12 0.00 0.00 29.99 27.33 2dsm n HIS 67 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2dsm n HIS 68 N -3.60 1.87 0.31 1.57 8.25 -1.26 -4.80 115.22 117.55 2dsm n HIS 68 Ca -0.14 -0.03 0.14 0.00 -0.26 0.00 0.00 57.72 57.44 2dsm n HIS 68 Cb 0.60 -2.68 0.45 0.00 1.12 0.00 0.00 29.99 29.48 2dsm n HIS 68 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2dsm h HIS 69 N 14.44 0.00 -3.35 4.41 2.07 -2.04 -3.38 115.15 127.30 2dsm h HIS 69 Ca -0.37 0.00 -0.70 0.00 -2.85 0.00 0.00 60.37 56.44 2dsm h HIS 69 Cb 1.26 0.00 -0.20 0.00 2.57 0.00 0.00 27.41 31.04 2dsm h HIS 69 CO 0.94 0.00 -0.14 -1.58 -3.07 0.00 0.00 177.93 174.09 2dsm s HIS 70 N -3.40 3.14 -0.18 6.12 5.65 -1.26 -4.93 115.29 120.42 2dsm s HIS 70 Ca 0.05 -0.61 0.15 0.00 0.25 0.00 0.00 55.06 54.90 2dsm s HIS 70 Cb 0.08 -3.25 0.41 0.00 -1.18 0.00 0.00 32.58 28.64 2dsm s HIS 70 CO 0.58 -0.87 1.29 0.72 -0.65 0.00 0.00 174.74 175.81 2dsm n HIS 71 N 5.72 0.43 -1.91 3.88 8.25 -1.26 -5.16 115.22 125.16 2dsm n HIS 71 Ca -0.09 -1.15 0.00 0.00 -0.26 0.00 0.00 57.72 56.22 2dsm n HIS 71 Cb 0.45 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2dsm n HIS 71 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59