#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 2.29 -2.50 2.03 0.24 -1.26 -5.04 118.33 114.10 2dsm n VAL 2 Ca 0.00 -2.26 -0.40 0.00 -2.04 0.00 0.00 64.34 59.64 2dsm n VAL 2 Cb 0.00 -0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 32.05 2dsm n VAL 2 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2dsm s GLU 3 N -2.98 4.66 0.04 7.34 0.41 -1.26 -5.04 118.70 121.87 2dsm s GLU 3 Ca 0.41 1.78 -0.03 0.00 -0.41 0.00 0.00 54.97 56.72 2dsm s GLU 3 Cb 0.35 -3.20 -0.02 0.00 -1.78 0.00 0.00 34.13 29.48 2dsm s GLU 3 CO 0.05 0.23 0.03 0.54 -0.49 0.00 0.00 175.26 175.61 2dsm s ASN 4 N -0.87 0.32 -0.48 -0.19 2.20 -1.26 -5.09 114.94 109.58 2dsm s ASN 4 Ca 0.44 -0.75 -0.27 0.00 -0.94 0.00 0.00 52.86 51.35 2dsm s ASN 4 Cb -0.31 0.20 -0.08 0.00 -2.00 0.00 0.00 41.25 39.06 2dsm s ASN 4 CO 0.40 -0.53 2.40 -0.81 -2.94 0.00 0.00 177.10 175.62 2dsm n PRO 5 N 0.54 1.11 -2.34 3.55 -0.04 -1.26 -4.88 135.00 131.69 2dsm n PRO 5 Ca -0.17 0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 62.96 2dsm n PRO 5 Cb 0.59 -3.21 -0.02 0.00 -0.04 0.00 0.00 33.50 30.82 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 7.92 3.46 0.04 0.54 -1.94 -1.26 -4.99 119.30 123.06 2dsm s MET 6 Ca 1.02 0.80 0.07 0.00 -1.71 0.00 0.00 55.69 55.88 2dsm s MET 6 Cb -0.33 -4.07 -0.03 0.00 2.01 0.00 0.00 34.83 32.41 2dsm s MET 6 CO 0.31 -1.72 -0.18 0.14 -0.01 0.00 0.00 175.02 173.56 2dsm s VAL 7 N 5.78 2.79 0.19 -6.03 -7.23 -1.26 -5.14 120.40 109.50 2dsm s VAL 7 Ca 0.60 -1.17 0.06 0.00 -1.81 0.00 0.00 61.98 59.66 2dsm s VAL 7 Cb -0.13 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 2dsm s VAL 7 CO 0.30 0.35 0.09 0.27 -0.31 0.00 0.00 175.10 175.80 2dsm s ILE 8 N -0.92 4.15 -0.29 -0.62 -5.25 -1.26 -5.10 121.20 111.91 2dsm s ILE 8 Ca 0.14 -1.30 -0.04 0.00 -0.99 0.00 0.00 60.65 58.46 2dsm s ILE 8 Cb -0.10 -3.14 0.10 0.00 2.95 0.00 0.00 42.46 42.27 2dsm s ILE 8 CO 0.05 -0.16 0.13 0.21 -1.79 0.00 0.00 174.94 173.38 2dsm s ASN 9 N -3.20 3.54 0.24 4.36 2.47 -1.26 -5.12 114.94 115.97 2dsm s ASN 9 Ca 0.30 -1.32 -0.22 0.00 0.42 0.00 0.00 52.86 52.04 2dsm s ASN 9 Cb -0.09 -0.37 0.04 0.00 -1.45 0.00 0.00 41.25 39.38 2dsm s ASN 9 CO 0.22 -0.44 0.83 0.54 -3.72 0.00 0.00 177.10 174.53 2dsm s ASN 10 N 2.07 -0.20 -0.13 -4.21 2.20 -1.26 -5.05 114.94 108.36 2dsm s ASN 10 Ca 0.09 -0.57 0.08 0.00 -0.94 0.00 0.00 52.86 51.51 2dsm s ASN 10 Cb -0.16 0.64 0.44 0.00 -2.00 0.00 0.00 41.25 40.17 2dsm s ASN 10 CO -0.36 -1.19 1.18 0.79 -2.94 0.00 0.00 177.10 174.58 2dsm n TRP 11 N -0.48 1.12 -4.58 1.54 7.02 -1.26 -4.82 117.44 115.98 2dsm n TRP 11 Ca -0.05 -0.39 -0.22 0.00 -1.02 0.00 0.00 57.50 55.83 2dsm n TRP 11 Cb 0.60 -0.32 -0.15 0.00 -2.42 0.00 0.00 31.31 29.02 2dsm n TRP 11 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 2dsm s HIS 12 N -1.94 1.20 -0.39 -5.99 3.76 -1.26 -5.10 115.29 105.57 2dsm s HIS 12 Ca 0.29 -0.24 0.01 0.00 -0.15 0.00 0.00 55.06 54.97 2dsm s HIS 12 Cb 0.22 -0.76 0.13 0.00 1.11 0.00 0.00 32.58 33.28 2dsm s HIS 12 CO 0.09 -0.01 0.20 0.34 -0.85 0.00 0.00 174.74 174.51 2dsm s ASP 13 N -0.41 3.53 -0.44 1.40 -1.08 -1.26 -5.04 116.67 113.37 2dsm s ASP 13 Ca 0.05 -2.29 0.02 0.00 -0.52 0.00 0.00 52.55 49.81 2dsm s ASP 13 Cb -0.05 -0.82 0.15 0.00 -1.46 0.00 0.00 42.92 40.74 2dsm s ASP 13 CO -0.00 -0.31 0.28 -0.54 0.52 0.00 0.00 175.17 175.12 2dsm s LYS 14 N 0.82 1.13 0.10 4.34 1.02 -1.26 -4.90 119.74 120.99 2dsm s LYS 14 Ca 0.16 -2.00 0.03 0.00 0.02 0.00 0.00 55.97 54.18 2dsm s LYS 14 Cb -0.23 -1.97 -0.24 0.00 -0.52 0.00 0.00 37.83 34.88 2dsm s LYS 14 CO -0.05 -1.24 1.21 1.25 -0.92 0.00 0.00 175.35 175.60 2dsm h LEU 15 N 6.40 0.16 -0.35 3.17 5.85 -2.08 -3.50 115.31 124.95 2dsm h LEU 15 Ca 0.09 -0.17 0.12 0.00 0.84 0.00 0.00 57.88 58.76 2dsm h LEU 15 Cb 0.92 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.83 2dsm h LEU 15 CO 0.42 1.14 -0.62 0.41 -0.34 0.00 0.00 178.44 179.45 2dsm n THR 16 N -3.41 -0.84 -2.93 1.05 -1.04 -1.26 -4.76 114.28 101.09 2dsm n THR 16 Ca -0.04 0.59 -0.43 0.00 -2.04 0.00 0.00 64.05 62.13 2dsm n THR 16 Cb 0.97 -0.92 -0.04 0.00 -1.82 0.00 0.00 70.33 68.52 2dsm n THR 16 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2dsm s GLU 17 N -4.04 3.20 0.00 -2.82 2.02 -1.26 -4.96 118.70 110.84 2dsm s GLU 17 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.34 2dsm s GLU 17 Cb 0.00 -4.13 0.00 0.00 0.10 0.00 0.00 34.13 30.10 2dsm s GLU 17 CO 0.00 -1.55 0.45 0.25 0.02 0.00 0.00 175.26 174.43 2dsm n THR 18 N 5.95 0.00 1.24 3.63 -2.24 -1.26 -4.05 114.28 117.54 2dsm n THR 18 Ca -0.03 0.86 0.13 0.00 -2.27 0.00 0.00 64.05 62.74 2dsm n THR 18 Cb 0.46 -1.67 0.41 0.00 -2.10 0.00 0.00 70.33 67.43 2dsm n THR 18 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2dsm n ASP 19 N -0.76 0.84 -4.63 3.42 8.00 -1.26 -4.84 116.55 117.32 2dsm n ASP 19 Ca 0.00 -0.73 -0.42 0.00 0.71 0.00 0.00 54.79 54.35 2dsm n ASP 19 Cb 0.00 0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 2dsm n ASP 19 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2dsm s VAL 20 N -2.57 4.72 0.06 2.53 1.01 -1.26 -4.61 120.40 120.29 2dsm s VAL 20 Ca 0.23 1.43 -0.00 0.00 0.00 0.00 0.00 61.98 63.64 2dsm s VAL 20 Cb 0.19 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2dsm s VAL 20 CO 0.53 -0.28 -0.04 0.00 0.00 0.00 0.00 175.10 175.32 2dsm s GLN 21 N 3.13 0.65 0.08 2.72 -2.07 -1.17 -4.77 119.66 118.23 2dsm s GLN 21 Ca 0.37 -1.23 0.03 0.00 -1.82 0.00 0.00 55.36 52.71 2dsm s GLN 21 Cb -0.14 0.11 -0.03 0.00 -1.09 0.00 0.00 33.01 31.86 2dsm s GLN 21 CO 0.12 -0.09 -0.09 0.42 -1.32 0.00 0.00 175.29 174.33 2dsm s ILE 22 N -3.77 0.80 0.77 3.63 1.01 -1.26 -0.49 121.20 121.89 2dsm s ILE 22 Ca 0.07 -1.45 -0.13 0.00 0.00 0.00 0.00 60.65 59.14 2dsm s ILE 22 Cb 0.07 -1.12 0.18 0.00 0.01 0.00 0.00 42.46 41.60 2dsm s ILE 22 CO -0.08 -0.50 1.05 -0.90 0.00 0.00 0.00 174.94 174.50 2dsm n ASP 23 N 0.87 0.11 0.23 3.58 5.75 -1.26 -4.64 116.55 121.19 2dsm n ASP 23 Ca -0.18 -1.40 0.07 0.00 -0.01 0.00 0.00 54.79 53.27 2dsm n ASP 23 Cb 0.57 -0.80 0.56 0.00 -1.03 0.00 0.00 41.12 40.42 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 -1.58 0.00 0.00 2.11 3.57 -0.50 -2.76 116.94 117.78 2dsm h PHE 24 Ca -0.34 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2dsm h PHE 24 Cb 0.94 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2dsm h PHE 24 CO 0.00 0.19 -0.57 1.88 -2.23 0.00 0.00 178.31 177.58 2dsm h TYR 25 N 0.00 0.00 -0.39 0.41 -1.99 -1.93 -3.48 116.97 109.60 2dsm h TYR 25 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2dsm h TYR 25 Cb 0.38 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.11 2dsm h TYR 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 2dsm n GLY 26 N 1.25 1.02 0.00 3.88 0.00 -1.04 -5.05 105.19 105.25 2dsm n GLY 26 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.85 0.00 0.00 1.61 -0.08 -1.26 -4.98 116.55 112.68 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 0.26 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.72 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 -0.17 0.00 -3.81 -0.67 2.13 -1.26 -4.91 120.64 111.94 2dsm n GLU 28 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 2dsm n GLU 28 Cb 0.00 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.54 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 -0.89 0.69 0.46 6.31 1.01 0.36 -4.75 120.40 123.59 2dsm s VAL 29 Ca 0.00 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.79 2dsm s VAL 29 Cb 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 2dsm s VAL 29 CO 0.00 0.16 0.32 0.42 0.00 0.00 0.00 175.10 176.00 2dsm s THR 30 N 1.83 2.22 -2.00 3.92 -4.23 -1.26 -3.06 115.64 113.05 2dsm s THR 30 Ca 0.03 -1.50 0.10 0.00 -1.18 0.00 0.00 61.69 59.14 2dsm s THR 30 Cb -0.14 -2.72 0.30 0.00 1.34 0.00 0.00 72.50 71.28 2dsm s THR 30 CO -0.07 0.00 1.05 -0.81 -0.54 0.00 0.00 174.62 174.25 2dsm n PRO 31 N -1.52 0.42 -0.33 3.99 -0.04 -1.26 -1.63 135.00 134.63 2dsm n PRO 31 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.54 2dsm n PRO 31 Cb 0.63 -1.39 0.22 0.00 -0.04 0.00 0.00 33.50 32.93 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 -0.89 1.55 -4.65 0.52 0.31 -1.26 -4.99 118.33 108.93 2dsm n VAL 32 Ca 0.08 -1.33 -0.30 0.00 -0.01 0.00 0.00 64.34 62.78 2dsm n VAL 32 Cb 0.04 0.19 -0.13 0.00 -0.91 0.00 0.00 33.84 33.02 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 -1.31 3.43 -0.29 4.52 1.01 -0.64 -5.10 116.67 118.29 2dsm s ASP 33 Ca 0.34 -0.59 -0.19 0.00 0.71 0.00 0.00 52.55 52.82 2dsm s ASP 33 Cb 0.23 -0.37 -0.02 0.00 1.01 0.00 0.00 42.92 43.76 2dsm s ASP 33 CO 0.15 0.23 0.55 -1.81 0.21 0.00 0.00 175.17 174.50 2dsm s ASP 34 N -1.60 6.43 0.19 0.27 1.11 -1.26 -4.87 116.67 116.94 2dsm s ASP 34 Ca 0.14 0.39 -0.05 0.00 0.18 0.00 0.00 52.55 53.20 2dsm s ASP 34 Cb -0.10 -2.29 -0.03 0.00 1.07 0.00 0.00 42.92 41.57 2dsm s ASP 34 CO 0.05 -0.38 0.22 -0.72 1.18 0.00 0.00 175.17 175.51 2dsm s TYR 35 N 2.42 0.77 -0.04 4.23 1.13 -1.26 -1.29 117.35 123.31 2dsm s TYR 35 Ca 0.22 -1.08 0.02 0.00 -1.41 0.00 0.00 57.07 54.82 2dsm s TYR 35 Cb -0.15 -0.28 0.01 0.00 -1.10 0.00 0.00 41.96 40.43 2dsm s TYR 35 CO 0.11 -0.70 -0.09 0.08 -2.51 0.00 0.00 175.55 172.43 2dsm s VAL 36 N -4.07 0.85 -0.25 -3.49 1.01 0.57 -4.82 120.40 110.21 2dsm s VAL 36 Ca 0.28 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 2dsm s VAL 36 Cb 0.05 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2dsm s VAL 36 CO 0.07 0.27 0.11 -0.63 0.00 0.00 0.00 175.10 174.92 2dsm s ILE 37 N 0.39 4.75 -1.00 2.22 1.01 -1.26 -1.12 121.20 126.19 2dsm s ILE 37 Ca -0.07 -0.02 -0.15 0.00 0.00 0.00 0.00 60.65 60.41 2dsm s ILE 37 Cb -0.11 -3.22 0.18 0.00 0.01 0.00 0.00 42.46 39.31 2dsm s ILE 37 CO 0.01 0.33 1.13 -0.62 0.00 0.00 0.00 174.94 175.79 2dsm s ASP 38 N 1.42 6.86 0.00 3.58 2.15 0.48 -4.58 116.67 126.58 2dsm s ASP 38 Ca 0.06 -2.63 0.00 0.00 0.43 0.00 0.00 52.55 50.41 2dsm s ASP 38 Cb -0.15 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 2dsm s ASP 38 CO 0.05 -0.78 0.00 0.61 -0.17 0.00 0.00 175.17 174.89 2dsm n GLY 39 N 4.45 2.08 0.00 2.66 0.00 -1.26 -2.43 105.19 110.68 2dsm n GLY 39 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 0.07 3.72 -0.02 0.00 -1.26 -4.55 105.19 103.15 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 4.53 -0.11 1.61 2.02 -1.02 -5.04 118.70 120.70 2dsm s GLU 41 Ca 0.00 1.25 -0.20 0.00 0.02 0.00 0.00 54.97 56.04 2dsm s GLU 41 Cb 0.00 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 2dsm s GLU 41 CO 0.00 0.02 0.57 0.42 0.02 0.00 0.00 175.26 176.29 2dsm s ILE 42 N 0.82 5.12 -0.07 -1.63 1.01 -1.26 -0.39 121.20 124.81 2dsm s ILE 42 Ca 0.47 1.15 -0.00 0.00 0.00 0.00 0.00 60.65 62.26 2dsm s ILE 42 Cb -0.20 -3.91 0.03 0.00 0.01 0.00 0.00 42.46 38.39 2dsm s ILE 42 CO 0.25 0.27 -0.03 -0.63 0.00 0.00 0.00 174.94 174.81 2dsm s ILE 43 N 0.85 0.55 0.59 2.92 1.09 -0.28 0.34 121.20 127.26 2dsm s ILE 43 Ca 0.30 -0.03 -0.19 0.00 -1.10 0.00 0.00 60.65 59.63 2dsm s ILE 43 Cb -0.16 -0.64 -0.04 0.00 -1.06 0.00 0.00 42.46 40.56 2dsm s ILE 43 CO 0.13 0.27 1.22 -0.22 -0.10 0.00 0.00 174.94 176.24 2dsm s LEU 44 N 1.62 3.68 0.62 2.97 2.96 -1.26 -0.31 118.68 128.95 2dsm s LEU 44 Ca 0.00 2.42 0.32 0.00 -0.22 0.00 0.00 54.13 56.65 2dsm s LEU 44 Cb -0.13 -4.58 1.76 0.00 0.50 0.00 0.00 46.19 43.74 2dsm s LEU 44 CO -0.04 -1.61 2.08 0.03 -1.32 0.00 0.00 176.35 175.49 2dsm h ARG 45 N 0.92 0.00 0.00 1.98 2.47 -1.51 0.10 114.38 118.34 2dsm h ARG 45 Ca -0.50 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.15 2dsm h ARG 45 Cb 1.30 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.61 2dsm h ARG 45 CO 0.55 0.00 -0.43 1.49 0.56 0.00 0.00 179.97 182.14 2dsm h GLU 46 N 0.00 0.00 -0.12 0.04 4.57 -1.90 -3.27 114.58 113.90 2dsm h GLU 46 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2dsm h GLU 46 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2dsm h GLU 46 CO -0.00 0.27 0.00 0.09 -1.18 0.00 0.00 179.01 178.19 2dsm n ASN 47 N -3.11 2.13 0.21 1.04 3.02 0.18 -4.81 115.26 113.91 2dsm n ASN 47 Ca 0.02 -1.63 -0.09 0.00 -0.03 0.00 0.00 54.58 52.85 2dsm n ASN 47 Cb 0.66 -0.08 -0.04 0.00 -0.61 0.00 0.00 39.78 39.71 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 1.62 -0.50 -1.68 3.41 5.85 -1.15 -3.32 115.31 119.55 2dsm h LEU 48 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2dsm h LEU 48 Cb 0.49 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2dsm h LEU 48 CO 0.00 -0.11 0.00 -0.33 -0.34 0.00 0.00 178.44 177.66 2dsm h GLU 49 N -1.09 0.00 0.00 1.25 5.08 -1.87 -0.90 114.58 117.05 2dsm h GLU 49 Ca -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2dsm h GLU 49 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2dsm h GLU 49 CO 0.10 0.00 -0.14 -0.09 -1.00 0.00 0.00 179.01 177.88 2dsm h ARG 50 N 0.00 0.00 -0.52 2.33 9.65 -1.94 -2.15 114.38 121.75 2dsm h ARG 50 Ca 0.00 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 2dsm h ARG 50 Cb 0.08 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 2dsm h ARG 50 CO 0.00 1.00 0.18 -0.92 2.80 0.00 0.00 179.97 183.03 2dsm h TYR 51 N -0.99 0.82 -0.66 2.20 3.20 -1.39 -2.41 116.97 117.75 2dsm h TYR 51 Ca -0.04 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.71 2dsm h TYR 51 Cb 1.04 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 2dsm h TYR 51 CO 0.26 0.70 0.22 -0.07 -1.64 0.00 0.00 178.16 177.63 2dsm h LEU 52 N 0.71 0.95 -0.61 2.82 3.38 -1.36 -0.56 115.31 120.64 2dsm h LEU 52 Ca 0.17 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.05 2dsm h LEU 52 Cb 0.25 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 2dsm h LEU 52 CO -0.01 0.90 0.15 -0.09 0.09 0.00 0.00 178.44 179.48 2dsm h ARG 53 N 0.96 0.28 0.00 1.13 2.43 -0.90 -0.81 114.38 117.46 2dsm h ARG 53 Ca 0.22 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.22 2dsm h ARG 53 Cb 0.27 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2dsm h ARG 53 CO -0.01 0.18 -1.20 0.93 -1.51 0.00 0.00 179.97 178.37 2dsm h GLU 54 N 0.29 0.00 0.00 0.20 5.08 -1.35 -3.42 114.58 115.37 2dsm h GLU 54 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2dsm h GLU 54 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2dsm h GLU 54 CO -0.39 0.32 -0.19 0.94 -1.00 0.00 0.00 179.01 178.69 2dsm n GLN 55 N -2.95 0.10 -4.35 2.33 7.27 -0.23 -4.95 117.38 114.60 2dsm n GLN 55 Ca -0.07 0.05 -0.36 0.00 0.07 0.00 0.00 57.00 56.70 2dsm n GLN 55 Cb 0.80 -0.69 -0.07 0.00 2.41 0.00 0.00 30.24 32.69 2dsm n GLN 55 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2dsm n LEU 56 N -2.87 -1.20 -0.00 1.69 4.77 -0.35 -4.85 117.00 114.19 2dsm n LEU 56 Ca -0.03 -1.18 0.10 0.00 -0.03 0.00 0.00 56.01 54.87 2dsm n LEU 56 Cb 0.10 -1.76 -0.14 0.00 -2.33 0.00 0.00 43.42 39.29 2dsm n LEU 56 CO 0.04 0.28 -0.35 0.61 -1.33 0.00 0.00 177.39 176.64 2dsm n GLY 57 N -1.67 -0.94 7.00 -0.72 0.00 -1.26 -5.06 105.19 102.54 2dsm n GLY 57 Ca -0.07 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.80 -0.14 -3.97 1.61 3.01 -1.26 -3.94 117.46 110.97 2dsm n PHE 58 Ca 0.01 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 2dsm n PHE 58 Cb 0.42 0.10 -0.14 0.00 -0.01 0.00 0.00 39.48 39.84 2dsm n PHE 58 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2dsm s GLU 59 N 0.00 1.76 -0.62 -1.08 2.02 -1.26 -4.50 118.70 115.02 2dsm s GLU 59 Ca 0.00 -1.75 -0.26 0.00 0.02 0.00 0.00 54.97 52.99 2dsm s GLU 59 Cb 0.00 -3.24 0.04 0.00 0.10 0.00 0.00 34.13 31.03 2dsm s GLU 59 CO 0.00 -0.89 1.10 -0.06 0.02 0.00 0.00 175.26 175.42 2dsm s PHE 60 N 1.00 2.60 -0.46 1.61 0.08 -1.25 -4.86 117.98 116.70 2dsm s PHE 60 Ca 0.06 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.15 2dsm s PHE 60 Cb -0.20 -4.36 0.48 0.00 -0.57 0.00 0.00 43.02 38.36 2dsm s PHE 60 CO -0.06 -1.64 1.64 1.63 -0.10 0.00 0.00 175.22 176.69 2dsm n LYS 61 N 8.23 2.86 -1.67 0.44 4.76 -1.26 -5.02 118.16 126.50 2dsm n LYS 61 Ca 0.03 -3.57 -0.48 0.00 -2.87 0.00 0.00 58.31 51.42 2dsm n LYS 61 Cb 0.48 -2.21 -0.05 0.00 -1.84 0.00 0.00 35.03 31.42 2dsm n LYS 61 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2dsm n ASN 62 N -0.89 3.50 -2.70 4.39 4.13 -1.26 -4.84 115.26 117.59 2dsm n ASN 62 Ca 0.52 0.92 -0.29 0.00 1.68 0.00 0.00 54.58 57.41 2dsm n ASN 62 Cb 0.89 -1.39 -0.06 0.00 -1.54 0.00 0.00 39.78 37.68 2dsm n ASN 62 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dsm n ALA 63 N 7.05 6.57 -0.31 5.41 0.00 -1.26 -4.45 120.51 133.51 2dsm n ALA 63 Ca 0.23 -3.17 -0.03 0.00 0.00 0.00 0.00 53.44 50.47 2dsm n ALA 63 Cb 0.31 -2.36 0.11 0.00 0.00 0.00 0.00 19.45 17.51 2dsm n ALA 63 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2dsm h GLN 64 N 3.45 1.21 -2.18 0.00 1.08 -2.02 -3.49 115.11 113.16 2dsm h GLN 64 Ca 0.46 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 2dsm h GLN 64 Cb 0.70 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2dsm h GLN 64 CO 0.97 0.88 -0.52 -0.11 -0.95 0.00 0.00 178.83 179.11 2dsm n LEU 65 N -4.34 -3.40 -0.64 1.46 7.94 -1.26 -4.76 117.00 112.00 2dsm n LEU 65 Ca 0.09 1.76 0.04 0.00 -1.11 0.00 0.00 56.01 56.80 2dsm n LEU 65 Cb 0.10 -1.26 0.14 0.00 0.53 0.00 0.00 43.42 42.93 2dsm n LEU 65 CO 0.39 -0.12 0.59 -0.62 -1.11 0.00 0.00 177.39 176.52 2dsm n GLU 66 N -0.32 1.85 -3.90 1.96 1.02 -1.26 -4.54 120.64 115.44 2dsm n GLU 66 Ca 0.00 -1.12 -0.33 0.00 -0.02 0.00 0.00 57.16 55.69 2dsm n GLU 66 Cb 0.00 -1.33 -0.13 0.00 -0.02 0.00 0.00 31.44 29.96 2dsm n GLU 66 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2dsm s HIS 67 N -1.62 3.55 -0.41 -0.32 3.76 -1.26 -5.04 115.29 113.95 2dsm s HIS 67 Ca 0.20 -2.86 -0.04 0.00 -0.15 0.00 0.00 55.06 52.21 2dsm s HIS 67 Cb 0.12 -3.02 0.10 0.00 1.11 0.00 0.00 32.58 30.89 2dsm s HIS 67 CO 0.12 -0.90 0.21 -1.01 -0.85 0.00 0.00 174.74 172.32 2dsm s HIS 68 N 0.57 3.52 -0.26 1.40 3.76 -1.26 -5.05 115.29 117.98 2dsm s HIS 68 Ca 0.12 -2.23 -0.31 0.00 -0.15 0.00 0.00 55.06 52.50 2dsm s HIS 68 Cb -0.22 -3.17 -0.08 0.00 1.11 0.00 0.00 32.58 30.23 2dsm s HIS 68 CO -0.05 -0.95 2.19 1.58 -0.85 0.00 0.00 174.74 176.66 2dsm n HIS 69 N 4.67 1.85 -4.03 1.40 -0.00 -1.26 -4.89 115.22 112.96 2dsm n HIS 69 Ca -0.04 0.02 -0.09 0.00 0.46 0.00 0.00 57.72 58.07 2dsm n HIS 69 Cb 0.41 -2.65 -0.03 0.00 -0.12 0.00 0.00 29.99 27.60 2dsm n HIS 69 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2dsm n HIS 70 N 10.72 -0.58 -1.88 1.57 -0.00 -1.26 -5.05 115.22 118.74 2dsm n HIS 70 Ca 0.34 -1.32 -0.40 0.00 -0.00 0.00 0.00 57.72 56.35 2dsm n HIS 70 Cb 0.36 0.19 -0.03 0.00 -0.00 0.00 0.00 29.99 30.51 2dsm n HIS 70 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2dsm n HIS 71 N -0.31 3.24 -1.36 1.57 -0.00 -1.26 -5.30 115.22 111.80 2dsm n HIS 71 Ca 0.03 -2.31 0.00 0.00 -0.00 0.00 0.00 57.72 55.44 2dsm n HIS 71 Cb 0.30 -2.38 0.00 0.00 -0.00 0.00 0.00 29.99 27.91 2dsm n HIS 71 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06