#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dsm h VAL 2 N 0.00 1.53 -3.09 2.03 -1.51 -2.13 -3.42 116.25 109.66 2dsm h VAL 2 Ca 0.00 -2.53 -0.65 0.00 -1.23 0.00 0.00 66.70 62.29 2dsm h VAL 2 Cb 0.00 2.37 -0.12 0.00 -2.13 0.00 0.00 31.29 31.40 2dsm h VAL 2 CO 0.00 0.73 -0.54 -1.61 -1.23 0.00 0.00 177.57 174.91 2dsm s GLU 3 N -3.32 3.61 -0.51 5.19 2.02 -1.26 -5.08 118.70 119.35 2dsm s GLU 3 Ca -0.01 -0.28 -0.17 0.00 0.02 0.00 0.00 54.97 54.54 2dsm s GLU 3 Cb 0.12 -3.14 0.09 0.00 0.10 0.00 0.00 34.13 31.30 2dsm s GLU 3 CO 0.79 0.53 0.50 -0.80 0.02 0.00 0.00 175.26 176.30 2dsm s ASN 4 N -0.35 6.18 -0.59 -0.19 -0.87 -1.26 -5.03 114.94 112.82 2dsm s ASN 4 Ca 0.10 -1.37 -0.28 0.00 -1.57 0.00 0.00 52.86 49.74 2dsm s ASN 4 Cb -0.12 -2.23 0.03 0.00 -0.02 0.00 0.00 41.25 38.92 2dsm s ASN 4 CO 0.02 -0.80 1.17 -2.84 -2.57 0.00 0.00 177.10 172.07 2dsm s PRO 5 N 1.95 3.46 -0.01 -0.60 0.02 -1.26 -4.85 135.00 133.71 2dsm s PRO 5 Ca 0.07 0.13 0.18 0.00 0.02 0.00 0.00 61.00 61.40 2dsm s PRO 5 Cb -0.25 -4.04 0.53 0.00 0.02 0.00 0.00 34.50 30.77 2dsm s PRO 5 CO 0.07 -1.71 1.44 0.00 -0.33 0.00 0.00 177.00 176.47 2dsm n MET 6 N 8.41 2.82 -1.87 5.54 0.00 -1.26 -4.88 117.12 125.89 2dsm n MET 6 Ca 0.07 -2.46 -0.37 0.00 0.00 0.00 0.00 57.70 54.94 2dsm n MET 6 Cb 0.49 -1.48 -0.03 0.00 0.00 0.00 0.00 33.22 32.20 2dsm n MET 6 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2dsm s VAL 7 N -1.05 3.23 0.00 3.17 1.01 -1.26 -4.54 120.40 120.96 2dsm s VAL 7 Ca 0.40 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2dsm s VAL 7 Cb 0.21 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2dsm s VAL 7 CO 0.27 -0.60 0.00 -0.38 0.00 0.00 0.00 175.10 174.39 2dsm n ILE 8 N 7.53 0.00 0.00 2.22 2.08 -1.26 -4.35 119.36 125.58 2dsm n ILE 8 Ca 0.27 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.58 2dsm n ILE 8 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.42 2dsm n ILE 8 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2dsm n ASN 9 N 3.61 0.00 0.00 4.38 3.02 -1.26 -5.07 115.26 119.93 2dsm n ASN 9 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2dsm n ASN 9 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2dsm n ASN 9 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2dsm n ASN 10 N -0.77 0.00 -4.97 6.41 4.05 -1.26 -4.89 115.26 113.83 2dsm n ASN 10 Ca 0.00 0.00 -0.21 0.00 0.45 0.00 0.00 54.58 54.82 2dsm n ASN 10 Cb 0.00 0.30 -0.01 0.00 1.23 0.00 0.00 39.78 41.31 2dsm n ASN 10 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 2dsm s TRP 11 N -2.00 3.32 -0.05 1.20 0.51 -1.26 -5.01 118.94 115.64 2dsm s TRP 11 Ca 0.00 0.06 0.08 0.00 -2.12 0.00 0.00 56.10 54.12 2dsm s TRP 11 Cb 0.00 -1.93 0.12 0.00 -0.81 0.00 0.00 33.47 30.85 2dsm s TRP 11 CO 0.00 0.06 1.00 1.58 -0.51 0.00 0.00 176.95 179.09 2dsm n HIS 12 N -1.71 0.00 -1.14 -1.98 -0.00 -1.26 -5.05 115.22 104.08 2dsm n HIS 12 Ca -0.03 -0.56 0.00 0.00 0.46 0.00 0.00 57.72 57.58 2dsm n HIS 12 Cb 0.57 -0.09 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 2dsm n HIS 12 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2dsm n ASP 13 N -0.75 0.00 -1.08 0.26 2.03 -1.26 -4.98 116.55 110.77 2dsm n ASP 13 Ca 0.07 -0.12 0.10 0.00 0.52 0.00 0.00 54.79 55.36 2dsm n ASP 13 Cb 0.52 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 41.19 2dsm n ASP 13 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2dsm n LYS 14 N -0.12 2.37 -2.28 -0.67 4.81 -1.26 -4.88 118.16 116.13 2dsm n LYS 14 Ca 0.00 -2.12 -0.43 0.00 -0.87 0.00 0.00 58.31 54.89 2dsm n LYS 14 Cb 0.00 -1.47 -0.02 0.00 0.02 0.00 0.00 35.03 33.56 2dsm n LYS 14 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2dsm s LEU 15 N -1.10 3.70 -0.14 3.14 0.20 -1.26 -4.90 118.68 118.31 2dsm s LEU 15 Ca 0.40 1.11 -0.10 0.00 0.69 0.00 0.00 54.13 56.23 2dsm s LEU 15 Cb 0.21 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.39 2dsm s LEU 15 CO 0.28 -1.36 -0.12 0.71 -0.29 0.00 0.00 176.35 175.57 2dsm h THR 16 N 6.34 0.10 0.00 3.68 1.35 -2.02 -3.47 112.91 118.89 2dsm h THR 16 Ca -0.29 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 2dsm h THR 16 Cb 1.12 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 2dsm h THR 16 CO 1.05 0.04 0.00 -0.62 -0.25 0.00 0.00 175.52 175.74 2dsm n GLU 17 N -4.61 0.00 0.00 4.72 4.71 -1.26 -5.09 120.64 119.11 2dsm n GLU 17 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.06 2dsm n GLU 17 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.72 2dsm n GLU 17 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2dsm n THR 18 N 0.00 0.00 -2.23 2.62 -1.04 -1.26 -5.00 114.28 107.36 2dsm n THR 18 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 2dsm n THR 18 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 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 -2.18 -0.19 -4.56 8.00 2.03 -1.26 -5.07 116.55 113.32 2dsm n ASP 19 Ca 0.00 -2.01 -0.42 0.00 0.52 0.00 0.00 54.79 52.89 2dsm n ASP 19 Cb 0.00 0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 40.44 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 -0.08 3.91 0.02 5.18 1.01 -1.26 -5.00 120.40 124.18 2dsm s VAL 20 Ca 0.14 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.67 2dsm s VAL 20 Cb 0.17 -4.81 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 2dsm s VAL 20 CO -0.07 -1.59 0.16 0.00 0.00 0.00 0.00 175.10 173.60 2dsm s GLN 21 N 5.23 3.31 0.16 2.72 -2.07 -1.25 -5.02 119.66 122.74 2dsm s GLN 21 Ca 0.37 -0.43 0.10 0.00 -1.82 0.00 0.00 55.36 53.58 2dsm s GLN 21 Cb -0.09 -3.00 -0.04 0.00 -1.09 0.00 0.00 33.01 28.80 2dsm s GLN 21 CO 0.19 0.64 -0.21 0.42 -1.32 0.00 0.00 175.29 175.01 2dsm s ILE 22 N -1.36 1.99 0.00 3.63 1.01 -1.26 -0.62 121.20 124.59 2dsm s ILE 22 Ca 0.29 -1.88 0.00 0.00 0.00 0.00 0.00 60.65 59.06 2dsm s ILE 22 Cb -0.13 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.46 2dsm s ILE 22 CO 0.21 -0.18 0.00 -0.90 0.00 0.00 0.00 174.94 174.07 2dsm n ASP 23 N 0.47 -0.18 0.07 3.58 5.75 -1.26 -4.47 116.55 120.51 2dsm n ASP 23 Ca -0.14 -0.40 -0.06 0.00 -0.01 0.00 0.00 54.79 54.18 2dsm n ASP 23 Cb 0.56 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.58 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 -0.67 0.00 -0.01 2.11 3.57 -0.59 -3.30 116.94 118.06 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 0.94 -0.61 0.66 -2.23 0.00 0.00 178.31 177.07 2dsm n TYR 25 N -3.42 0.00 -1.47 0.41 4.01 -1.26 -4.98 117.16 110.45 2dsm n TYR 25 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2dsm n TYR 25 Cb 0.89 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.84 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 1.45 0.51 0.00 2.72 0.00 -1.24 -5.06 105.19 103.57 2dsm n GLY 26 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.80 0.00 0.00 1.61 2.03 -1.26 -5.02 116.55 113.11 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 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 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 -3.89 -0.67 2.13 -1.26 -4.95 120.64 111.57 2dsm n GLU 28 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 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 -0.54 2.90 0.57 6.31 1.01 0.21 -4.82 120.40 126.04 2dsm s VAL 29 Ca 0.00 -1.82 0.04 0.00 0.00 0.00 0.00 61.98 60.20 2dsm s VAL 29 Cb 0.00 -2.87 0.06 0.00 0.00 0.00 0.00 36.38 33.58 2dsm s VAL 29 CO 0.00 -0.40 0.79 0.42 0.00 0.00 0.00 175.10 175.91 2dsm s THR 30 N 1.14 2.48 -2.00 3.92 -4.23 -1.26 -3.79 115.64 111.90 2dsm s THR 30 Ca 0.02 -0.81 0.06 0.00 -1.18 0.00 0.00 61.69 59.78 2dsm s THR 30 Cb -0.21 -2.67 0.16 0.00 1.34 0.00 0.00 72.50 71.12 2dsm s THR 30 CO -0.04 0.00 0.72 -0.81 -0.54 0.00 0.00 174.62 173.95 2dsm n PRO 31 N -2.33 0.30 -0.01 3.99 -0.04 -1.26 -1.10 135.00 134.56 2dsm n PRO 31 Ca 0.12 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.67 2dsm n PRO 31 Cb 0.60 -1.29 -0.13 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.79 0.00 -3.33 0.52 0.31 -1.26 -4.93 118.33 108.85 2dsm n VAL 32 Ca 0.04 -0.36 -0.39 0.00 -0.01 0.00 0.00 64.34 63.62 2dsm n VAL 32 Cb 0.02 0.25 -0.08 0.00 -0.91 0.00 0.00 33.84 33.11 2dsm n VAL 32 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2dsm s ASP 33 N -3.84 6.32 0.25 4.52 1.01 -0.26 -5.05 116.67 119.62 2dsm s ASP 33 Ca -0.04 0.37 -0.30 0.00 0.71 0.00 0.00 52.55 53.29 2dsm s ASP 33 Cb 0.12 -2.24 -0.09 0.00 1.01 0.00 0.00 42.92 41.72 2dsm s ASP 33 CO 0.75 -0.23 1.12 -0.62 0.21 0.00 0.00 175.17 176.40 2dsm s ASP 34 N 1.61 7.24 0.22 0.27 2.15 -1.26 -4.68 116.67 122.21 2dsm s ASP 34 Ca 0.17 2.24 -0.18 0.00 0.43 0.00 0.00 52.55 55.22 2dsm s ASP 34 Cb -0.16 -2.62 0.02 0.00 -0.30 0.00 0.00 42.92 39.87 2dsm s ASP 34 CO 0.10 -0.19 0.55 -0.72 -0.17 0.00 0.00 175.17 174.74 2dsm s TYR 35 N -0.85 -0.07 0.03 -5.34 1.13 -1.26 -0.60 117.35 110.39 2dsm s TYR 35 Ca 0.46 -0.29 0.02 0.00 -1.41 0.00 0.00 57.07 55.86 2dsm s TYR 35 Cb -0.32 0.42 -0.02 0.00 -1.10 0.00 0.00 41.96 40.95 2dsm s TYR 35 CO 0.40 -0.98 -0.08 0.08 -2.51 0.00 0.00 175.55 172.46 2dsm s VAL 36 N -3.90 0.58 -0.26 -3.49 1.01 -0.49 -4.84 120.40 109.01 2dsm s VAL 36 Ca 0.11 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 2dsm s VAL 36 Cb -0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2dsm s VAL 36 CO 0.00 -0.14 0.12 -0.63 0.00 0.00 0.00 175.10 174.45 2dsm s ILE 37 N -0.85 4.76 -0.73 2.22 1.01 -1.26 -1.76 121.20 124.59 2dsm s ILE 37 Ca -0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.51 2dsm s ILE 37 Cb -0.07 -3.25 0.19 0.00 0.01 0.00 0.00 42.46 39.35 2dsm s ILE 37 CO 0.00 0.30 0.61 -0.62 0.00 0.00 0.00 174.94 175.24 2dsm s ASP 38 N 1.67 6.03 -0.23 3.58 -1.08 0.51 -4.62 116.67 122.53 2dsm s ASP 38 Ca 0.07 -2.77 0.00 0.00 -0.52 0.00 0.00 52.55 49.33 2dsm s ASP 38 Cb -0.15 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.26 2dsm s ASP 38 CO 0.07 -0.48 0.00 0.61 0.52 0.00 0.00 175.17 175.89 2dsm n GLY 39 N 3.74 0.55 0.00 2.66 0.00 -1.14 -2.54 105.19 108.46 2dsm n GLY 39 Ca 0.11 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.70 1.81 3.86 -0.02 0.00 -1.26 -4.76 105.19 102.11 2dsm n GLY 40 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.68 3.59 0.06 1.61 2.02 -1.05 -5.08 118.70 119.17 2dsm s GLU 41 Ca 0.00 -0.03 -0.20 0.00 0.02 0.00 0.00 54.97 54.76 2dsm s GLU 41 Cb 0.00 -3.21 -0.06 0.00 0.10 0.00 0.00 34.13 30.95 2dsm s GLU 41 CO 0.00 0.72 0.59 0.42 0.02 0.00 0.00 175.26 177.01 2dsm s ILE 42 N -0.92 4.75 -0.03 -1.63 1.01 -1.26 -0.36 121.20 122.76 2dsm s ILE 42 Ca 0.16 1.25 -0.00 0.00 0.00 0.00 0.00 60.65 62.06 2dsm s ILE 42 Cb -0.13 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 38.45 2dsm s ILE 42 CO 0.05 0.52 0.03 -0.63 0.00 0.00 0.00 174.94 174.92 2dsm s ILE 43 N -0.91 -0.02 0.58 2.92 1.09 -0.72 0.24 121.20 124.38 2dsm s ILE 43 Ca 0.30 0.24 -0.20 0.00 -1.10 0.00 0.00 60.65 59.89 2dsm s ILE 43 Cb -0.19 -0.14 -0.04 0.00 -1.06 0.00 0.00 42.46 41.03 2dsm s ILE 43 CO 0.19 0.12 1.27 -0.22 -0.10 0.00 0.00 174.94 176.21 2dsm s LEU 44 N 1.34 3.73 0.00 2.97 0.20 -1.26 -1.39 118.68 124.26 2dsm s LEU 44 Ca -0.06 2.56 0.03 0.00 0.69 0.00 0.00 54.13 57.35 2dsm s LEU 44 Cb -0.13 -4.48 0.13 0.00 -0.43 0.00 0.00 46.19 41.29 2dsm s LEU 44 CO -0.03 -1.65 0.97 0.54 -0.29 0.00 0.00 176.35 175.90 2dsm n ARG 45 N -1.41 0.03 -0.08 1.98 5.12 0.24 -0.33 116.66 122.21 2dsm n ARG 45 Ca 0.13 0.33 -0.10 0.00 -1.93 0.00 0.00 57.85 56.28 2dsm n ARG 45 Cb 0.48 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.22 2dsm n ARG 45 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2dsm h GLU 46 N 0.00 0.00 -0.14 5.56 4.81 -1.89 -3.38 114.58 119.54 2dsm h GLU 46 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2dsm h GLU 46 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2dsm h GLU 46 CO 0.00 0.46 0.00 0.27 -0.73 0.00 0.00 179.01 179.01 2dsm n ASN 47 N -4.60 1.62 0.09 1.04 6.94 -0.92 -3.84 115.26 115.59 2dsm n ASN 47 Ca -0.13 -1.67 0.04 0.00 -0.02 0.00 0.00 54.58 52.80 2dsm n ASN 47 Cb 0.36 -0.09 0.46 0.00 -2.36 0.00 0.00 39.78 38.16 2dsm n ASN 47 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2dsm h LEU 48 N 2.21 0.30 -0.68 -4.53 5.85 -0.86 -3.14 115.31 114.46 2dsm h LEU 48 Ca 0.00 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.81 2dsm h LEU 48 Cb 0.48 -0.08 -0.12 0.00 0.37 0.00 0.00 40.66 41.31 2dsm h LEU 48 CO 0.00 0.28 -0.36 -0.08 -0.34 0.00 0.00 178.44 177.94 2dsm h GLU 49 N 0.34 -0.13 -0.14 1.25 4.81 -1.83 -1.27 114.58 117.61 2dsm h GLU 49 Ca 0.09 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 2dsm h GLU 49 Cb 0.07 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2dsm h GLU 49 CO -0.01 -0.08 -0.39 -0.09 -0.73 0.00 0.00 179.01 177.71 2dsm h ARG 50 N -0.13 0.30 0.02 1.92 9.65 -1.86 -0.82 114.38 123.45 2dsm h ARG 50 Ca 0.25 -0.14 -0.27 0.00 -1.10 0.00 0.00 59.98 58.73 2dsm h ARG 50 Cb 0.56 -0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.16 2dsm h ARG 50 CO -0.75 0.65 -1.06 -0.92 2.80 0.00 0.00 179.97 180.69 2dsm h TYR 51 N 0.26 0.98 0.00 2.20 3.20 -1.47 -0.24 116.97 121.89 2dsm h TYR 51 Ca 0.03 -0.54 -0.02 0.00 3.14 0.00 0.00 58.73 61.33 2dsm h TYR 51 Cb 0.80 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 2dsm h TYR 51 CO 0.02 1.38 -0.09 -0.07 -1.64 0.00 0.00 178.16 177.76 2dsm h LEU 52 N 0.36 0.00 -0.42 2.82 3.38 -1.18 -0.54 115.31 119.73 2dsm h LEU 52 Ca -0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 2dsm h LEU 52 Cb 1.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 2dsm h LEU 52 CO 0.20 0.09 -0.43 -0.09 0.09 0.00 0.00 178.44 178.30 2dsm h ARG 53 N 0.00 0.00 0.00 1.13 2.43 -0.60 -2.78 114.38 114.56 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 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2dsm h ARG 53 CO 0.01 0.43 -0.03 -1.91 -1.51 0.00 0.00 179.97 176.97 2dsm n GLU 54 N -3.33 0.02 -0.01 0.20 4.07 -0.15 -4.75 120.64 116.69 2dsm n GLU 54 Ca 0.01 0.26 0.09 0.00 -0.06 0.00 0.00 57.16 57.46 2dsm n GLU 54 Cb 0.63 -0.80 -0.13 0.00 -0.06 0.00 0.00 31.44 31.09 2dsm n GLU 54 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2dsm n GLN 55 N -2.38 0.76 -2.01 5.31 10.64 -0.38 -5.01 117.38 124.31 2dsm n GLN 55 Ca -0.00 -0.10 -0.09 0.00 -1.83 0.00 0.00 57.00 54.98 2dsm n GLN 55 Cb 0.01 -1.40 -0.01 0.00 -0.86 0.00 0.00 30.24 27.98 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 -1.87 -1.27 0.00 2.61 7.94 -1.05 -3.12 117.00 120.25 2dsm n LEU 56 Ca -0.01 0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 2dsm n LEU 56 Cb 0.40 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.84 2dsm n LEU 56 CO 0.38 -0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 2dsm n GLY 57 N -1.16 0.27 3.29 -3.96 0.00 -1.26 -4.95 105.19 97.42 2dsm n GLY 57 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.08 2.69 -0.54 1.61 0.08 -1.18 -2.87 117.98 115.68 2dsm s PHE 58 Ca 0.00 -0.86 -0.18 0.00 0.12 0.00 0.00 56.93 56.01 2dsm s PHE 58 Cb 0.00 -1.78 0.09 0.00 -0.57 0.00 0.00 43.02 40.76 2dsm s PHE 58 CO 0.00 -0.33 0.60 -1.21 -0.10 0.00 0.00 175.22 174.18 2dsm s GLU 59 N 0.37 3.04 -0.56 0.44 2.02 -1.26 -4.85 118.70 117.91 2dsm s GLU 59 Ca -0.15 -1.30 -0.27 0.00 0.02 0.00 0.00 54.97 53.28 2dsm s GLU 59 Cb -0.17 -4.21 0.03 0.00 0.10 0.00 0.00 34.13 29.88 2dsm s GLU 59 CO 0.07 -1.34 1.11 -0.06 0.02 0.00 0.00 175.26 175.06 2dsm s PHE 60 N 2.30 2.69 -0.93 1.61 0.08 -1.26 -4.94 117.98 117.53 2dsm s PHE 60 Ca 0.10 0.34 -0.03 0.00 0.12 0.00 0.00 56.93 57.45 2dsm s PHE 60 Cb -0.24 -4.37 0.23 0.00 -0.57 0.00 0.00 43.02 38.07 2dsm s PHE 60 CO 0.07 -1.47 0.83 0.15 -0.10 0.00 0.00 175.22 174.70 2dsm s LYS 61 N 4.60 3.43 0.29 0.44 3.01 -1.26 -5.06 119.74 125.19 2dsm s LYS 61 Ca 0.40 -3.25 -0.20 0.00 -1.01 0.00 0.00 55.97 51.91 2dsm s LYS 61 Cb -0.09 -4.06 -0.09 0.00 -1.01 0.00 0.00 37.83 32.58 2dsm s LYS 61 CO 0.25 -1.26 0.80 -0.80 0.51 0.00 0.00 175.35 174.85 2dsm s ASN 62 N 0.15 7.04 -1.22 2.83 0.02 -1.26 -4.95 114.94 117.55 2dsm s ASN 62 Ca 0.28 1.51 -0.21 0.00 -1.02 0.00 0.00 52.86 53.42 2dsm s ASN 62 Cb -0.08 -2.46 -0.03 0.00 0.02 0.00 0.00 41.25 38.70 2dsm s ASN 62 CO -0.11 -0.10 1.87 0.00 0.02 0.00 0.00 177.10 178.78 2dsm n ALA 63 N 0.26 2.67 -2.71 0.60 0.00 -1.26 -4.87 120.51 115.19 2dsm n ALA 63 Ca 0.01 -3.37 -0.42 0.00 0.00 0.00 0.00 53.44 49.66 2dsm n ALA 63 Cb 0.52 -3.54 -0.03 0.00 0.00 0.00 0.00 19.45 16.40 2dsm n ALA 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2dsm s GLN 64 N 5.44 3.62 0.00 0.00 2.00 -1.26 -4.90 119.66 124.56 2dsm s GLN 64 Ca 0.62 -1.44 0.00 0.00 -2.00 0.00 0.00 55.36 52.54 2dsm s GLN 64 Cb 0.02 -5.19 0.00 0.00 0.80 0.00 0.00 33.01 28.65 2dsm s GLN 64 CO 0.11 -2.03 0.31 1.28 -0.50 0.00 0.00 175.29 174.46 2dsm n LEU 65 N 7.87 0.20 -1.52 3.68 4.32 -1.26 -4.82 117.00 125.47 2dsm n LEU 65 Ca 0.30 0.31 -0.15 0.00 -0.02 0.00 0.00 56.01 56.46 2dsm n LEU 65 Cb 0.50 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.24 2dsm n LEU 65 CO 0.60 0.00 -0.14 -0.62 -1.22 0.00 0.00 177.39 176.01 2dsm n GLU 66 N -0.35 -1.39 -4.87 3.23 -0.58 -1.26 -4.93 120.64 110.49 2dsm n GLU 66 Ca 0.00 0.86 -0.26 0.00 -0.42 0.00 0.00 57.16 57.34 2dsm n GLU 66 Cb 0.00 -5.16 -0.16 0.00 -0.57 0.00 0.00 31.44 25.55 2dsm n GLU 66 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2dsm s HIS 67 N -2.29 1.74 0.00 -0.32 3.76 -1.26 -4.82 115.29 112.09 2dsm s HIS 67 Ca 0.00 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 2dsm s HIS 67 Cb 0.00 -1.16 0.00 0.00 1.11 0.00 0.00 32.58 32.53 2dsm s HIS 67 CO 0.00 -0.14 0.00 1.58 -0.85 0.00 0.00 174.74 175.33 2dsm n HIS 68 N 3.01 0.00 -3.56 1.40 -0.00 -1.26 -4.64 115.22 110.18 2dsm n HIS 68 Ca -0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.40 2dsm n HIS 68 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.46 2dsm n HIS 68 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2dsm s HIS 69 N 0.00 -0.56 0.29 1.57 5.65 -1.26 -5.15 115.29 115.83 2dsm s HIS 69 Ca 0.00 1.03 -0.29 0.00 0.25 0.00 0.00 55.06 56.05 2dsm s HIS 69 Cb 0.00 0.41 -0.10 0.00 -1.18 0.00 0.00 32.58 31.71 2dsm s HIS 69 CO 0.00 -0.47 1.15 -1.01 -0.65 0.00 0.00 174.74 173.75 2dsm s HIS 70 N -0.94 3.46 -0.07 3.88 0.09 -1.26 -4.46 115.29 115.99 2dsm s HIS 70 Ca -0.06 1.63 -0.06 0.00 -0.00 0.00 0.00 55.06 56.57 2dsm s HIS 70 Cb -0.01 -3.38 -0.03 0.00 -0.00 0.00 0.00 32.58 29.16 2dsm s HIS 70 CO 0.05 -0.86 0.25 1.25 -0.00 0.00 0.00 174.74 175.44 2dsm h HIS 71 N 3.77 -0.20 0.00 1.40 6.17 -1.99 -3.50 115.15 120.80 2dsm h HIS 71 Ca -0.47 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.60 2dsm h HIS 71 Cb 1.21 0.07 0.00 0.00 2.52 0.00 0.00 27.41 31.21 2dsm h HIS 71 CO 0.58 -0.13 0.00 1.58 0.71 0.00 0.00 177.93 180.68