#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 5.32 -0.19 2.03 -7.23 -1.26 -4.78 120.40 114.29 2dsm s VAL 2 Ca 0.00 0.01 -0.09 0.00 -1.81 0.00 0.00 61.98 60.09 2dsm s VAL 2 Cb 0.00 -3.58 0.03 0.00 0.56 0.00 0.00 36.38 33.40 2dsm s VAL 2 CO 0.00 0.28 0.18 -0.62 -0.31 0.00 0.00 175.10 174.63 2dsm n GLU 3 N 0.82 -3.91 -3.51 4.82 1.02 -1.26 -5.04 120.64 113.58 2dsm n GLU 3 Ca -0.09 3.03 -0.29 0.00 -0.02 0.00 0.00 57.16 59.79 2dsm n GLU 3 Cb 0.52 -4.69 -0.12 0.00 -0.02 0.00 0.00 31.44 27.13 2dsm n GLU 3 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dsm s ASN 4 N -0.78 2.95 0.00 1.62 6.03 -1.26 -4.95 114.94 118.55 2dsm s ASN 4 Ca -0.21 -2.42 0.19 0.00 -1.03 0.00 0.00 52.86 49.39 2dsm s ASN 4 Cb 0.01 -0.56 0.62 0.00 -3.03 0.00 0.00 41.25 38.29 2dsm s ASN 4 CO 0.71 -0.28 1.47 -0.81 -2.03 0.00 0.00 177.10 176.16 2dsm n PRO 5 N 3.75 1.83 -3.35 3.55 -0.04 -1.26 -4.76 135.00 134.73 2dsm n PRO 5 Ca 0.14 -1.27 -0.46 0.00 -0.04 0.00 0.00 63.50 61.87 2dsm n PRO 5 Cb 0.38 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 2dsm n PRO 5 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2dsm s MET 6 N -1.69 3.34 0.00 0.54 -1.94 -1.26 -4.77 119.30 113.52 2dsm s MET 6 Ca 0.31 -2.23 0.18 0.00 -1.71 0.00 0.00 55.69 52.24 2dsm s MET 6 Cb 0.17 -4.34 -0.20 0.00 2.01 0.00 0.00 34.83 32.47 2dsm s MET 6 CO 0.24 -1.29 0.77 1.33 -0.01 0.00 0.00 175.02 176.06 2dsm n VAL 7 N 4.35 0.00 -3.07 -6.03 0.24 -1.26 -4.89 118.33 107.66 2dsm n VAL 7 Ca 0.05 -0.07 -0.39 0.00 -2.04 0.00 0.00 64.34 61.88 2dsm n VAL 7 Cb 0.44 1.00 -0.05 0.00 -1.47 0.00 0.00 33.84 33.76 2dsm n VAL 7 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2dsm s ILE 8 N -2.71 4.95 -0.43 1.34 1.09 -1.26 -4.24 121.20 119.95 2dsm s ILE 8 Ca 0.07 1.43 -0.10 0.00 -1.10 0.00 0.00 60.65 60.95 2dsm s ILE 8 Cb 0.14 -4.03 0.01 0.00 -1.06 0.00 0.00 42.46 37.52 2dsm s ILE 8 CO 0.74 0.31 0.52 -3.20 -0.10 0.00 0.00 174.94 173.22 2dsm n ASN 9 N 3.34 -6.95 -4.49 3.58 2.85 -1.26 -4.97 115.26 107.35 2dsm n ASN 9 Ca -0.03 0.32 -0.42 0.00 -0.11 0.00 0.00 54.58 54.34 2dsm n ASN 9 Cb 0.51 -4.67 -0.10 0.00 1.24 0.00 0.00 39.78 36.76 2dsm n ASN 9 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2dsm s ASN 10 N -2.47 6.10 -0.15 1.20 4.22 -1.26 -4.90 114.94 117.68 2dsm s ASN 10 Ca 0.16 -0.66 -0.16 0.00 -2.14 0.00 0.00 52.86 50.06 2dsm s ASN 10 Cb -0.04 -2.16 -0.24 0.00 1.28 0.00 0.00 41.25 40.09 2dsm s ASN 10 CO 0.64 -0.37 0.38 -0.50 -2.04 0.00 0.00 177.10 175.22 2dsm h TRP 11 N 8.57 0.26 -5.88 1.54 4.06 -1.94 -3.49 115.95 119.08 2dsm h TRP 11 Ca -0.29 -0.19 -0.37 0.00 2.06 0.00 0.00 58.89 60.10 2dsm h TRP 11 Cb 1.14 -0.01 0.11 0.00 -1.00 0.00 0.00 29.16 29.40 2dsm h TRP 11 CO 0.61 1.57 -0.81 1.58 -3.56 0.00 0.00 178.44 177.82 2dsm n HIS 12 N -4.03 -2.06 -2.26 0.49 -0.00 -1.26 -4.89 115.22 101.21 2dsm n HIS 12 Ca -0.29 0.87 -0.43 0.00 0.46 0.00 0.00 57.72 58.33 2dsm n HIS 12 Cb 0.84 -4.61 -0.02 0.00 -0.12 0.00 0.00 29.99 26.08 2dsm n HIS 12 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2dsm s ASP 13 N -4.26 6.76 -0.18 0.26 2.15 -1.26 -4.87 116.67 115.28 2dsm s ASP 13 Ca 0.05 1.80 0.17 0.00 0.43 0.00 0.00 52.55 55.00 2dsm s ASP 13 Cb -0.01 -2.54 0.53 0.00 -0.30 0.00 0.00 42.92 40.61 2dsm s ASP 13 CO 0.78 -0.91 1.43 0.29 -0.17 0.00 0.00 175.17 176.59 2dsm n LYS 14 N 6.97 2.97 0.24 4.34 5.02 -1.26 -4.41 118.16 132.03 2dsm n LYS 14 Ca 0.16 -2.83 0.13 0.00 -2.02 0.00 0.00 58.31 53.75 2dsm n LYS 14 Cb 0.44 -1.84 0.46 0.00 -0.02 0.00 0.00 35.03 34.08 2dsm n LYS 14 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2dsm h LEU 15 N 1.86 0.00 0.00 -0.35 5.85 -2.01 -3.47 115.31 117.19 2dsm h LEU 15 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2dsm h LEU 15 Cb 1.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.47 2dsm h LEU 15 CO 0.22 0.09 0.00 0.41 -0.34 0.00 0.00 178.44 178.82 2dsm n THR 16 N -3.18 0.00 -4.36 1.05 -1.04 -1.26 -4.80 114.28 100.69 2dsm n THR 16 Ca 0.01 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.82 2dsm n THR 16 Cb 0.42 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.86 2dsm n THR 16 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2dsm n GLU 17 N 0.00 0.48 -0.11 -2.82 1.02 -1.26 -5.09 120.64 112.86 2dsm n GLU 17 Ca 0.00 -3.17 -0.20 0.00 -0.02 0.00 0.00 57.16 53.77 2dsm n GLU 17 Cb 0.00 2.19 -0.09 0.00 -0.02 0.00 0.00 31.44 33.52 2dsm n GLU 17 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2dsm n THR 18 N -0.72 1.21 -2.65 2.62 -1.04 -1.26 -4.83 114.28 107.61 2dsm n THR 18 Ca 0.01 -0.38 -0.42 0.00 -2.04 0.00 0.00 64.05 61.23 2dsm n THR 18 Cb 0.57 -1.54 -0.03 0.00 -1.82 0.00 0.00 70.33 67.50 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 -6.55 6.27 -0.10 8.00 2.15 -1.26 -4.98 116.67 120.19 2dsm s ASP 19 Ca -0.30 -0.90 0.02 0.00 0.43 0.00 0.00 52.55 51.81 2dsm s ASP 19 Cb 0.10 -2.52 -0.01 0.00 -0.30 0.00 0.00 42.92 40.19 2dsm s ASP 19 CO 0.43 -1.62 -0.16 -0.69 -0.17 0.00 0.00 175.17 172.96 2dsm s VAL 20 N 4.97 2.79 0.39 1.11 1.01 -1.26 -4.85 120.40 124.55 2dsm s VAL 20 Ca 0.34 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.59 2dsm s VAL 20 Cb -0.08 -2.12 -0.06 0.00 0.00 0.00 0.00 36.38 34.11 2dsm s VAL 20 CO 0.07 0.55 0.03 0.00 0.00 0.00 0.00 175.10 175.75 2dsm s GLN 21 N 0.05 1.86 0.05 2.72 -2.07 -1.14 -5.04 119.66 116.10 2dsm s GLN 21 Ca -0.06 -2.07 0.00 0.00 -1.82 0.00 0.00 55.36 51.41 2dsm s GLN 21 Cb -0.15 -1.28 -0.03 0.00 -1.09 0.00 0.00 33.01 30.46 2dsm s GLN 21 CO 0.05 -0.15 -0.04 0.42 -1.32 0.00 0.00 175.29 174.24 2dsm s ILE 22 N -2.97 0.32 0.00 3.63 1.01 -1.26 -0.20 121.20 121.73 2dsm s ILE 22 Ca 0.32 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.54 2dsm s ILE 22 Cb 0.08 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.55 2dsm s ILE 22 CO 0.16 -0.72 0.00 -0.90 0.00 0.00 0.00 174.94 173.48 2dsm n ASP 23 N 0.77 0.00 0.04 3.58 5.75 -1.26 -4.63 116.55 120.80 2dsm n ASP 23 Ca -0.18 -0.75 -0.05 0.00 -0.01 0.00 0.00 54.79 53.79 2dsm n ASP 23 Cb 0.58 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.81 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 -0.66 0.48 0.00 2.11 3.57 -0.95 -3.05 116.94 118.44 2dsm h PHE 24 Ca 0.00 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.35 2dsm h PHE 24 Cb 0.00 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.64 2dsm h PHE 24 CO 0.00 0.79 -0.16 1.88 -2.23 0.00 0.00 178.31 178.59 2dsm h TYR 25 N 0.32 0.00 -0.51 0.41 -1.99 -1.94 -3.47 116.97 109.79 2dsm h TYR 25 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2dsm h TYR 25 Cb 0.94 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.67 2dsm h TYR 25 CO 0.03 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.60 2dsm n GLY 26 N 1.29 0.92 0.00 3.88 0.00 -1.15 -5.04 105.19 105.09 2dsm n GLY 26 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 1.22 0.00 0.00 1.61 -0.08 -1.26 -4.98 116.55 113.06 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 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 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 -0.37 0.00 -4.01 -0.67 2.13 -1.26 -4.93 120.64 111.52 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 -0.66 1.80 0.28 6.31 1.01 0.72 -4.77 120.40 125.09 2dsm s VAL 29 Ca 0.00 -1.23 0.07 0.00 0.00 0.00 0.00 61.98 60.82 2dsm s VAL 29 Cb 0.00 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 2dsm s VAL 29 CO 0.00 0.08 0.27 0.42 0.00 0.00 0.00 175.10 175.87 2dsm s THR 30 N 1.30 4.22 -2.00 3.92 -4.23 -1.26 -2.87 115.64 114.72 2dsm s THR 30 Ca -0.04 -1.31 0.01 0.00 -1.18 0.00 0.00 61.69 59.17 2dsm s THR 30 Cb -0.18 -3.39 0.03 0.00 1.34 0.00 0.00 72.50 70.31 2dsm s THR 30 CO -0.07 -0.28 0.29 -2.65 -0.54 0.00 0.00 174.62 171.37 2dsm n PRO 31 N -1.30 0.12 -0.00 3.99 -0.02 -1.26 -0.50 135.00 136.03 2dsm n PRO 31 Ca -0.05 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.51 2dsm n PRO 31 Cb 0.58 -1.14 -0.11 0.00 -0.02 0.00 0.00 33.50 32.82 2dsm n PRO 31 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2dsm n VAL 32 N -0.64 0.00 -3.49 -1.45 0.31 -1.26 -4.99 118.33 106.82 2dsm n VAL 32 Ca 0.01 -0.16 -0.31 0.00 -0.01 0.00 0.00 64.34 63.87 2dsm n VAL 32 Cb 0.00 0.81 -0.05 0.00 -0.91 0.00 0.00 33.84 33.70 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 -2.91 6.53 -0.34 4.52 1.01 0.35 -5.06 116.67 120.77 2dsm s ASP 33 Ca 0.04 0.75 -0.15 0.00 0.71 0.00 0.00 52.55 53.89 2dsm s ASP 33 Cb 0.13 -2.16 -0.01 0.00 1.01 0.00 0.00 42.92 41.89 2dsm s ASP 33 CO 0.71 -0.06 0.37 -1.81 0.21 0.00 0.00 175.17 174.58 2dsm s ASP 34 N -2.61 6.18 0.28 0.27 1.01 -1.26 -4.88 116.67 115.66 2dsm s ASP 34 Ca 0.44 -0.21 0.02 0.00 0.71 0.00 0.00 52.55 53.51 2dsm s ASP 34 Cb -0.11 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 2dsm s ASP 34 CO 0.25 -0.34 0.15 -0.72 0.21 0.00 0.00 175.17 174.72 2dsm s TYR 35 N 2.03 1.51 -0.00 4.23 1.13 -1.26 -1.15 117.35 123.84 2dsm s TYR 35 Ca 0.12 -1.35 0.01 0.00 -1.41 0.00 0.00 57.07 54.44 2dsm s TYR 35 Cb -0.16 -0.80 -0.00 0.00 -1.10 0.00 0.00 41.96 39.89 2dsm s TYR 35 CO 0.12 -0.53 -0.04 0.08 -2.51 0.00 0.00 175.55 172.67 2dsm s VAL 36 N -3.74 0.30 -0.42 -3.49 1.01 -0.11 -4.84 120.40 109.12 2dsm s VAL 36 Ca 0.37 -0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 2dsm s VAL 36 Cb 0.06 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.20 2dsm s VAL 36 CO 0.16 0.09 0.48 -0.63 0.00 0.00 0.00 175.10 175.20 2dsm s ILE 37 N -0.08 5.03 -1.11 2.22 1.01 -1.26 -1.72 121.20 125.29 2dsm s ILE 37 Ca 0.01 -0.24 -0.20 0.00 0.00 0.00 0.00 60.65 60.22 2dsm s ILE 37 Cb -0.02 -4.07 0.08 0.00 0.01 0.00 0.00 42.46 38.46 2dsm s ILE 37 CO -0.00 -0.46 1.48 -0.62 0.00 0.00 0.00 174.94 175.34 2dsm s ASP 38 N 1.85 6.69 0.00 3.58 -1.08 0.49 -4.37 116.67 123.83 2dsm s ASP 38 Ca 0.14 -2.02 0.00 0.00 -0.52 0.00 0.00 52.55 50.15 2dsm s ASP 38 Cb -0.16 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 2dsm s ASP 38 CO 0.15 -1.25 0.00 0.61 0.52 0.00 0.00 175.17 175.20 2dsm n GLY 39 N 5.90 1.34 0.00 2.66 0.00 -0.80 -2.66 105.19 111.63 2dsm n GLY 39 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.02 3.81 -0.02 0.00 -1.26 -4.70 105.19 103.03 2dsm n GLY 40 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 4.34 -0.18 1.61 2.02 -1.09 -5.02 118.70 120.38 2dsm s GLU 41 Ca 0.00 1.11 -0.12 0.00 0.02 0.00 0.00 54.97 55.98 2dsm s GLU 41 Cb 0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 34.13 31.65 2dsm s GLU 41 CO 0.00 0.16 0.23 0.42 0.02 0.00 0.00 175.26 176.09 2dsm s ILE 42 N -1.86 5.35 -0.05 -1.63 1.01 -1.26 -0.38 121.20 122.38 2dsm s ILE 42 Ca 0.54 0.40 -0.01 0.00 0.00 0.00 0.00 60.65 61.58 2dsm s ILE 42 Cb -0.14 -3.57 0.03 0.00 0.01 0.00 0.00 42.46 38.79 2dsm s ILE 42 CO 0.19 0.40 0.00 -0.63 0.00 0.00 0.00 174.94 174.90 2dsm s ILE 43 N 0.47 0.26 0.52 2.92 1.09 -0.70 -0.18 121.20 125.58 2dsm s ILE 43 Ca 0.13 0.13 -0.22 0.00 -1.10 0.00 0.00 60.65 59.59 2dsm s ILE 43 Cb -0.12 -0.40 -0.07 0.00 -1.06 0.00 0.00 42.46 40.81 2dsm s ILE 43 CO 0.02 0.21 1.13 0.18 -0.10 0.00 0.00 174.94 176.38 2dsm n LEU 44 N 4.76 4.05 0.00 2.97 4.77 -1.26 -0.93 117.00 131.35 2dsm n LEU 44 Ca -0.14 0.95 0.07 0.00 -0.03 0.00 0.00 56.01 56.86 2dsm n LEU 44 Cb 0.50 -1.45 0.41 0.00 -2.33 0.00 0.00 43.42 40.55 2dsm n LEU 44 CO 0.15 -1.23 0.62 0.54 -1.33 0.00 0.00 177.39 176.13 2dsm n ARG 45 N -0.61 0.43 0.19 3.23 1.74 -0.30 -1.29 116.66 120.04 2dsm n ARG 45 Ca 0.11 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.31 2dsm n ARG 45 Cb 0.44 -1.50 0.18 0.00 -1.02 0.00 0.00 32.46 30.56 2dsm n ARG 45 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2dsm h GLU 46 N 0.00 0.00 0.00 5.56 4.39 -1.88 -3.34 114.58 119.31 2dsm h GLU 46 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dsm h GLU 46 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2dsm h GLU 46 CO 0.00 0.00 0.00 -1.71 -1.16 0.00 0.00 179.01 176.14 2dsm n ASN 47 N -2.92 0.16 -0.29 1.42 2.85 -0.77 -4.82 115.26 110.89 2dsm n ASN 47 Ca 0.04 -0.49 0.22 0.00 -0.11 0.00 0.00 54.58 54.23 2dsm n ASN 47 Cb 0.52 0.38 0.52 0.00 1.24 0.00 0.00 39.78 42.44 2dsm n ASN 47 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2dsm h LEU 48 N 0.00 0.42 -0.85 1.20 5.85 -1.31 -1.31 115.31 119.31 2dsm h LEU 48 Ca 0.00 0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.93 2dsm h LEU 48 Cb 0.07 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.00 2dsm h LEU 48 CO 0.00 0.12 0.44 -0.33 -0.34 0.00 0.00 178.44 178.32 2dsm h GLU 49 N 0.39 0.61 -0.37 1.25 4.39 -1.87 0.13 114.58 119.10 2dsm h GLU 49 Ca 0.54 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 60.05 2dsm h GLU 49 Cb 1.40 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 2dsm h GLU 49 CO -0.24 0.40 -0.40 -0.09 -1.16 0.00 0.00 179.01 177.53 2dsm h ARG 50 N 0.62 0.91 -0.69 2.33 9.65 -1.63 -1.89 114.38 123.69 2dsm h ARG 50 Ca 0.46 -0.48 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 2dsm h ARG 50 Cb 0.64 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.21 2dsm h ARG 50 CO -0.36 1.13 0.29 -0.92 2.80 0.00 0.00 179.97 182.92 2dsm h TYR 51 N 0.74 1.00 0.00 2.20 3.20 -1.22 -1.27 116.97 121.62 2dsm h TYR 51 Ca 0.06 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 2dsm h TYR 51 Cb 0.99 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2dsm h TYR 51 CO 0.06 0.75 -0.25 -0.07 -1.64 0.00 0.00 178.16 177.01 2dsm h LEU 52 N 0.98 0.00 -0.53 2.82 3.38 -0.58 -0.07 115.31 121.31 2dsm h LEU 52 Ca 0.23 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 2dsm h LEU 52 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2dsm h LEU 52 CO -0.02 0.25 -0.33 0.03 0.09 0.00 0.00 178.44 178.45 2dsm h ARG 53 N 0.00 0.83 0.00 1.13 3.08 -0.42 -3.07 114.38 115.93 2dsm h ARG 53 Ca -0.00 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.65 2dsm h ARG 53 Cb 0.69 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2dsm h ARG 53 CO 0.03 1.03 -0.07 0.93 -1.07 0.00 0.00 179.97 180.82 2dsm h GLU 54 N 0.69 0.00 0.00 0.04 5.08 -0.98 -3.43 114.58 115.97 2dsm h GLU 54 Ca 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2dsm h GLU 54 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2dsm h GLU 54 CO 0.08 0.00 -1.88 0.00 -1.00 0.00 0.00 179.01 176.21 2dsm n GLN 55 N -2.71 0.62 -1.59 2.33 10.64 -0.15 -5.01 117.38 121.51 2dsm n GLN 55 Ca -0.01 -0.16 -0.11 0.00 -1.83 0.00 0.00 57.00 54.89 2dsm n GLN 55 Cb 0.04 -1.44 -0.03 0.00 -0.86 0.00 0.00 30.24 27.94 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 -2.19 -1.02 0.00 2.61 7.94 -0.54 -2.73 117.00 121.07 2dsm n LEU 56 Ca -0.06 0.19 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 2dsm n LEU 56 Cb 0.54 -1.76 0.00 0.00 0.53 0.00 0.00 43.42 42.73 2dsm n LEU 56 CO 0.39 -0.44 0.00 0.61 -1.11 0.00 0.00 177.39 176.84 2dsm n GLY 57 N -1.44 0.68 3.30 -3.96 0.00 -1.26 -4.90 105.19 97.60 2dsm n GLY 57 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 2.75 -0.58 1.61 0.08 -1.11 -1.90 117.98 116.83 2dsm s PHE 58 Ca 0.00 -0.89 -0.20 0.00 0.12 0.00 0.00 56.93 55.95 2dsm s PHE 58 Cb 0.00 -1.84 0.08 0.00 -0.57 0.00 0.00 43.02 40.68 2dsm s PHE 58 CO 0.00 -0.37 0.78 -2.00 -0.10 0.00 0.00 175.22 173.53 2dsm s GLU 59 N 0.56 3.11 -0.19 0.44 2.12 -1.25 -4.72 118.70 118.77 2dsm s GLU 59 Ca -0.10 -0.97 -0.28 0.00 0.36 0.00 0.00 54.97 53.99 2dsm s GLU 59 Cb -0.16 -4.19 -0.00 0.00 0.26 0.00 0.00 34.13 30.04 2dsm s GLU 59 CO 0.04 -1.53 0.95 -0.06 -0.54 0.00 0.00 175.26 174.12 2dsm s PHE 60 N 3.17 3.40 0.32 5.30 0.08 -1.26 -4.96 117.98 124.02 2dsm s PHE 60 Ca 0.17 1.40 0.02 0.00 0.12 0.00 0.00 56.93 58.65 2dsm s PHE 60 Cb -0.20 -3.16 0.02 0.00 -0.57 0.00 0.00 43.02 39.12 2dsm s PHE 60 CO 0.10 -0.35 0.19 1.63 -0.10 0.00 0.00 175.22 176.69 2dsm n LYS 61 N 5.72 1.07 -3.51 0.44 4.76 -1.26 -5.16 118.16 120.21 2dsm n LYS 61 Ca 0.09 -2.05 -0.09 0.00 -2.87 0.00 0.00 58.31 53.38 2dsm n LYS 61 Cb 0.47 0.29 -0.02 0.00 -1.84 0.00 0.00 35.03 33.93 2dsm n LYS 61 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2dsm s ASN 62 N -2.84 -0.43 0.00 4.39 3.84 -1.26 -5.00 114.94 113.64 2dsm s ASN 62 Ca 0.15 -0.07 0.10 0.00 0.21 0.00 0.00 52.86 53.24 2dsm s ASN 62 Cb -0.01 0.50 0.46 0.00 -0.55 0.00 0.00 41.25 41.65 2dsm s ASN 62 CO 0.09 -0.83 1.29 0.00 -2.79 0.00 0.00 177.10 174.86 2dsm n ALA 63 N -0.33 1.52 -2.41 1.71 0.00 -1.26 -4.83 120.51 114.91 2dsm n ALA 63 Ca -0.12 -0.04 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 2dsm n ALA 63 Cb 0.63 -1.16 -0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.43 -1.74 -0.54 0.00 -0.06 -1.26 -4.89 117.38 107.45 2dsm n GLN 64 Ca 0.03 0.73 0.05 0.00 -2.00 0.00 0.00 57.00 55.82 2dsm n GLN 64 Cb 0.11 -5.09 0.25 0.00 -4.06 0.00 0.00 30.24 21.44 2dsm n GLN 64 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2dsm n LEU 65 N -2.39 4.05 -4.25 1.69 7.94 -1.26 -4.84 117.00 117.94 2dsm n LEU 65 Ca -0.16 -3.18 -0.38 0.00 -1.11 0.00 0.00 56.01 51.18 2dsm n LEU 65 Cb 0.63 -0.57 -0.03 0.00 0.53 0.00 0.00 43.42 43.97 2dsm n LEU 65 CO 0.24 0.79 1.94 1.21 -1.11 0.00 0.00 177.39 180.47 2dsm n GLU 66 N -0.63 2.21 0.03 1.96 2.13 -1.26 -3.92 120.64 121.17 2dsm n GLU 66 Ca 0.25 -2.58 0.00 0.00 0.66 0.00 0.00 57.16 55.48 2dsm n GLU 66 Cb 0.95 -3.43 0.00 0.00 0.27 0.00 0.00 31.44 29.23 2dsm n GLU 66 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2dsm n HIS 67 N 10.03 -0.40 -0.09 4.31 8.25 -1.26 -4.86 115.22 131.20 2dsm n HIS 67 Ca 0.48 0.07 -0.15 0.00 -0.26 0.00 0.00 57.72 57.86 2dsm n HIS 67 Cb 0.44 0.23 -0.09 0.00 1.12 0.00 0.00 29.99 31.70 2dsm n HIS 67 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2dsm h HIS 68 N 0.00 0.00 -2.79 4.41 3.86 -2.01 -3.43 115.15 115.19 2dsm h HIS 68 Ca 0.00 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 2dsm h HIS 68 Cb 0.37 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.72 2dsm h HIS 68 CO 0.00 0.95 0.66 -1.58 0.86 0.00 0.00 177.93 178.82 2dsm s HIS 69 N -2.23 2.63 -0.14 2.45 5.65 -1.26 -5.02 115.29 117.37 2dsm s HIS 69 Ca -0.21 -0.25 -0.08 0.00 0.25 0.00 0.00 55.06 54.76 2dsm s HIS 69 Cb 0.03 -4.30 -0.04 0.00 -1.18 0.00 0.00 32.58 27.09 2dsm s HIS 69 CO 0.48 -1.64 0.15 -1.01 -0.65 0.00 0.00 174.74 172.07 2dsm s HIS 70 N 4.38 3.56 0.01 3.88 0.09 -1.26 -4.23 115.29 121.72 2dsm s HIS 70 Ca 0.28 0.50 -0.01 0.00 -0.00 0.00 0.00 55.06 55.82 2dsm s HIS 70 Cb -0.13 -2.00 -0.27 0.00 -0.00 0.00 0.00 32.58 30.17 2dsm s HIS 70 CO 0.14 0.63 0.87 0.45 -0.00 0.00 0.00 174.74 176.83 2dsm h HIS 71 N 5.39 0.40 0.00 1.40 3.86 -1.95 -3.52 115.15 120.73 2dsm h HIS 71 Ca -0.51 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 58.41 2dsm h HIS 71 Cb 1.21 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2dsm h HIS 71 CO 0.71 1.34 0.00 -2.39 0.86 0.00 0.00 177.93 178.45