#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 1.22 -0.09 2.03 0.24 -1.26 -3.76 118.33 116.72 2dsm n VAL 2 Ca 0.00 -0.56 -0.17 0.00 -2.04 0.00 0.00 64.34 61.58 2dsm n VAL 2 Cb 0.00 -0.53 -0.10 0.00 -1.47 0.00 0.00 33.84 31.74 2dsm n VAL 2 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2dsm h GLU 3 N 1.15 0.00 -5.19 7.34 3.07 -2.10 -3.50 114.58 115.34 2dsm h GLU 3 Ca 0.06 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2dsm h GLU 3 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 2dsm h GLU 3 CO 0.24 0.80 -0.97 -1.71 -1.40 0.00 0.00 179.01 175.97 2dsm n ASN 4 N -4.52 -8.01 -4.57 1.42 4.05 -1.25 -4.82 115.26 97.57 2dsm n ASN 4 Ca -0.22 1.36 -0.29 0.00 0.45 0.00 0.00 54.58 55.87 2dsm n ASN 4 Cb 0.54 -5.23 -0.05 0.00 1.23 0.00 0.00 39.78 36.27 2dsm n ASN 4 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 2dsm s PRO 5 N -1.68 2.72 0.25 1.20 0.02 -1.26 -4.71 135.00 131.55 2dsm s PRO 5 Ca 0.02 -0.71 0.25 0.00 0.02 0.00 0.00 61.00 60.58 2dsm s PRO 5 Cb -0.00 -5.17 0.85 0.00 0.02 0.00 0.00 34.50 30.20 2dsm s PRO 5 CO 0.76 -3.37 1.76 0.52 -0.33 0.00 0.00 177.00 176.33 2dsm h MET 6 N 10.49 0.00 -4.74 5.54 2.86 -2.05 -3.39 114.93 123.64 2dsm h MET 6 Ca 0.16 0.00 -0.69 0.00 -2.06 0.00 0.00 59.70 57.11 2dsm h MET 6 Cb 0.98 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 32.35 2dsm h MET 6 CO 1.25 0.00 -0.64 0.14 1.06 0.00 0.00 176.91 178.72 2dsm s VAL 7 N -3.19 3.57 -0.04 -2.22 -7.23 -1.26 -4.99 120.40 105.04 2dsm s VAL 7 Ca 0.08 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2dsm s VAL 7 Cb 0.11 -2.98 0.04 0.00 0.56 0.00 0.00 36.38 34.11 2dsm s VAL 7 CO 0.54 -0.08 1.49 2.30 -0.31 0.00 0.00 175.10 179.04 2dsm n ILE 8 N 4.77 1.60 -3.24 -0.62 -5.35 -1.26 -4.80 119.36 110.46 2dsm n ILE 8 Ca -0.13 -0.39 -0.14 0.00 -0.27 0.00 0.00 62.75 61.81 2dsm n ILE 8 Cb 0.45 -1.19 0.01 0.00 -1.74 0.00 0.00 39.64 37.17 2dsm n ILE 8 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2dsm n ASN 9 N 0.79 -6.81 -1.22 7.28 3.02 -1.26 -4.82 115.26 112.24 2dsm n ASN 9 Ca 0.05 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2dsm n ASN 9 Cb 0.56 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.80 2dsm n ASN 9 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2dsm n ASN 10 N -1.31 3.91 -0.16 6.41 6.94 -1.26 -3.99 115.26 125.80 2dsm n ASN 10 Ca -0.05 -2.14 0.12 0.00 -0.02 0.00 0.00 54.58 52.49 2dsm n ASN 10 Cb 0.56 -0.75 0.60 0.00 -2.36 0.00 0.00 39.78 37.83 2dsm n ASN 10 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 2dsm n TRP 11 N 0.94 0.04 -2.02 -2.53 7.02 -1.26 -4.81 117.44 114.82 2dsm n TRP 11 Ca 0.00 -0.02 -0.43 0.00 -1.02 0.00 0.00 57.50 56.03 2dsm n TRP 11 Cb 0.49 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.35 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 -1.96 1.84 -0.24 -5.99 3.76 -1.26 -4.95 115.29 106.49 2dsm s HIS 12 Ca 0.34 0.63 -0.04 0.00 -0.15 0.00 0.00 55.06 55.85 2dsm s HIS 12 Cb 0.17 -4.14 0.08 0.00 1.11 0.00 0.00 32.58 29.80 2dsm s HIS 12 CO 0.27 -2.87 0.11 0.34 -0.85 0.00 0.00 174.74 171.74 2dsm s ASP 13 N 6.05 3.12 -0.21 1.40 2.15 -1.26 -4.97 116.67 122.94 2dsm s ASP 13 Ca 0.78 -1.05 -0.07 0.00 0.43 0.00 0.00 52.55 52.65 2dsm s ASP 13 Cb -0.22 -0.37 -0.11 0.00 -0.30 0.00 0.00 42.92 41.93 2dsm s ASP 13 CO 0.33 -0.40 -0.24 1.17 -0.17 0.00 0.00 175.17 175.86 2dsm n LYS 14 N 5.22 0.47 -3.11 4.34 3.00 -1.26 -4.90 118.16 121.92 2dsm n LYS 14 Ca -0.06 0.17 -0.18 0.00 -0.00 0.00 0.00 58.31 58.24 2dsm n LYS 14 Cb 0.45 -1.31 -0.05 0.00 0.00 0.00 0.00 35.03 34.12 2dsm n LYS 14 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2dsm n LEU 15 N -3.67 -1.36 -4.40 3.14 7.94 -1.26 -5.10 117.00 112.29 2dsm n LEU 15 Ca -0.40 -3.96 -0.32 0.00 -1.11 0.00 0.00 56.01 50.22 2dsm n LEU 15 Cb 0.83 0.66 -0.14 0.00 0.53 0.00 0.00 43.42 45.29 2dsm n LEU 15 CO 0.08 1.94 -0.51 -0.89 -1.11 0.00 0.00 177.39 176.91 2dsm s THR 16 N 0.05 2.57 -0.20 1.96 2.01 -1.26 -5.12 115.64 115.65 2dsm s THR 16 Ca 0.33 -0.99 -0.10 0.00 0.31 0.00 0.00 61.69 61.23 2dsm s THR 16 Cb 0.08 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 2dsm s THR 16 CO -0.15 0.53 0.14 -1.83 -0.69 0.00 0.00 174.62 172.61 2dsm s GLU 17 N -0.84 4.19 0.07 4.92 -1.05 -1.26 -4.96 118.70 119.77 2dsm s GLU 17 Ca 0.11 -0.21 0.00 0.00 -0.15 0.00 0.00 54.97 54.72 2dsm s GLU 17 Cb -0.10 -3.43 0.00 0.00 -0.44 0.00 0.00 34.13 30.16 2dsm s GLU 17 CO 0.01 0.28 0.00 2.41 0.95 0.00 0.00 175.26 178.91 2dsm n THR 18 N 3.57 0.87 -2.74 1.83 -1.04 -1.26 -4.90 114.28 110.61 2dsm n THR 18 Ca -0.16 0.29 -0.43 0.00 -2.04 0.00 0.00 64.05 61.70 2dsm n THR 18 Cb 0.52 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 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 -3.21 5.07 -4.12 8.00 2.03 -1.26 -4.89 116.55 118.17 2dsm n ASP 19 Ca 0.00 -2.96 -0.34 0.00 0.52 0.00 0.00 54.79 52.00 2dsm n ASP 19 Cb 0.00 -1.63 -0.13 0.00 -0.72 0.00 0.00 41.12 38.64 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 2.40 2.85 0.29 5.18 1.01 -1.26 -5.07 120.40 125.79 2dsm s VAL 20 Ca 0.46 -1.78 0.07 0.00 0.00 0.00 0.00 61.98 60.74 2dsm s VAL 20 Cb 0.01 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2dsm s VAL 20 CO 0.02 -0.35 0.22 0.00 0.00 0.00 0.00 175.10 174.99 2dsm s GLN 21 N 1.14 2.80 0.13 2.72 1.03 -1.26 -5.01 119.66 121.21 2dsm s GLN 21 Ca 0.01 -1.18 0.06 0.00 0.04 0.00 0.00 55.36 54.29 2dsm s GLN 21 Cb -0.20 -2.49 -0.04 0.00 0.03 0.00 0.00 33.01 30.30 2dsm s GLN 21 CO -0.04 0.28 -0.15 0.42 -2.54 0.00 0.00 175.29 173.26 2dsm s ILE 22 N -2.22 1.43 0.00 3.63 1.01 -1.26 -1.87 121.20 121.92 2dsm s ILE 22 Ca 0.36 -1.77 0.00 0.00 0.00 0.00 0.00 60.65 59.24 2dsm s ILE 22 Cb -0.07 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.79 2dsm s ILE 22 CO 0.25 -0.41 0.00 -0.90 0.00 0.00 0.00 174.94 173.88 2dsm n ASP 23 N 0.45 0.00 -0.07 3.58 5.75 -1.26 -4.57 116.55 120.44 2dsm n ASP 23 Ca -0.15 -0.73 -0.01 0.00 -0.01 0.00 0.00 54.79 53.90 2dsm n ASP 23 Cb 0.57 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.92 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 -0.63 0.70 -0.00 2.11 3.57 -0.96 -2.78 116.94 118.96 2dsm h PHE 24 Ca 0.00 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2dsm h PHE 24 Cb 0.00 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.53 2dsm h PHE 24 CO 0.00 0.59 -0.14 0.66 -2.23 0.00 0.00 178.31 177.19 2dsm n TYR 25 N -4.31 0.00 -1.79 0.41 4.02 -1.26 -4.91 117.16 109.32 2dsm n TYR 25 Ca 0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.87 2dsm n TYR 25 Cb 0.20 -0.31 -0.01 0.00 -0.02 0.00 0.00 39.34 39.20 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 1.40 0.36 0.00 2.72 0.00 -1.05 -4.99 105.19 103.63 2dsm n GLY 26 Ca 0.10 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 1.07 0.00 0.00 1.61 2.03 -1.26 -4.96 116.55 115.03 2dsm n ASP 27 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 2dsm n ASP 27 Cb 0.42 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 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 -0.31 0.00 -4.08 -0.67 2.13 -1.26 -4.95 120.64 111.49 2dsm n GLU 28 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 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 -0.56 1.91 0.45 6.31 1.01 -0.78 -4.77 120.40 123.97 2dsm s VAL 29 Ca 0.00 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.09 2dsm s VAL 29 Cb 0.00 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 2dsm s VAL 29 CO 0.00 0.42 0.26 0.42 0.00 0.00 0.00 175.10 176.20 2dsm s THR 30 N 1.33 2.14 -1.03 3.92 -4.23 -1.26 -4.10 115.64 112.40 2dsm s THR 30 Ca 0.03 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 2dsm s THR 30 Cb -0.14 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 70.97 2dsm s THR 30 CO -0.11 0.00 0.24 -0.81 -0.54 0.00 0.00 174.62 173.40 2dsm n PRO 31 N -1.43 0.47 0.00 3.99 -0.04 -1.26 -1.70 135.00 135.03 2dsm n PRO 31 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2dsm n PRO 31 Cb 0.64 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.24 0.00 -3.16 0.52 0.31 -1.26 -5.07 118.33 109.91 2dsm n VAL 32 Ca 0.00 -0.47 -0.19 0.00 -0.01 0.00 0.00 64.34 63.67 2dsm n VAL 32 Cb 0.11 1.04 0.01 0.00 -0.91 0.00 0.00 33.84 34.09 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 -0.32 5.37 -0.36 4.52 1.01 -0.69 -5.09 116.67 121.11 2dsm s ASP 33 Ca 0.00 -0.62 -0.05 0.00 0.71 0.00 0.00 52.55 52.60 2dsm s ASP 33 Cb 0.00 -0.38 0.07 0.00 1.01 0.00 0.00 42.92 43.62 2dsm s ASP 33 CO 0.00 -0.89 0.13 -1.81 0.21 0.00 0.00 175.17 172.81 2dsm s ASP 34 N -4.38 5.24 0.01 0.27 1.01 -1.26 -4.95 116.67 112.62 2dsm s ASP 34 Ca 0.54 -1.48 0.07 0.00 0.71 0.00 0.00 52.55 52.39 2dsm s ASP 34 Cb -0.07 -1.84 -0.02 0.00 1.01 0.00 0.00 42.92 42.00 2dsm s ASP 34 CO 0.33 -0.40 -0.20 -0.72 0.21 0.00 0.00 175.17 174.38 2dsm s TYR 35 N 1.30 1.78 -0.03 4.23 1.13 -1.26 -0.06 117.35 124.44 2dsm s TYR 35 Ca 0.01 -0.35 0.07 0.00 -1.41 0.00 0.00 57.07 55.39 2dsm s TYR 35 Cb -0.21 -1.10 -0.02 0.00 -1.10 0.00 0.00 41.96 39.53 2dsm s TYR 35 CO -0.00 0.03 -0.25 0.08 -2.51 0.00 0.00 175.55 172.90 2dsm s VAL 36 N -0.64 2.01 -0.42 -3.49 1.01 0.17 -4.92 120.40 114.13 2dsm s VAL 36 Ca 0.07 -1.08 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 2dsm s VAL 36 Cb -0.08 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.65 2dsm s VAL 36 CO 0.01 0.57 0.31 -0.63 0.00 0.00 0.00 175.10 175.35 2dsm s ILE 37 N -0.48 5.23 -0.87 2.22 1.01 -1.26 -0.89 121.20 126.15 2dsm s ILE 37 Ca 0.06 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 2dsm s ILE 37 Cb -0.11 -3.94 0.18 0.00 0.01 0.00 0.00 42.46 38.60 2dsm s ILE 37 CO 0.00 -0.35 0.92 -0.62 0.00 0.00 0.00 174.94 174.90 2dsm s ASP 38 N 1.81 6.70 0.00 3.58 2.15 0.52 -4.46 116.67 126.97 2dsm s ASP 38 Ca 0.05 -2.41 0.00 0.00 0.43 0.00 0.00 52.55 50.62 2dsm s ASP 38 Cb -0.20 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2dsm s ASP 38 CO 0.09 -0.79 0.00 0.61 -0.17 0.00 0.00 175.17 174.92 2dsm n GLY 39 N 4.64 1.09 0.00 2.66 0.00 -1.26 -2.89 105.19 109.43 2dsm n GLY 39 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 1.25 3.83 -0.02 0.00 -1.26 -4.38 105.19 102.61 2dsm n GLY 40 Ca 0.00 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 4.08 -0.15 1.61 2.02 -1.14 -5.02 118.70 120.09 2dsm s GLU 41 Ca 0.00 0.65 -0.14 0.00 0.02 0.00 0.00 54.97 55.50 2dsm s GLU 41 Cb 0.00 -2.86 -0.05 0.00 0.10 0.00 0.00 34.13 31.32 2dsm s GLU 41 CO 0.00 0.41 0.31 0.42 0.02 0.00 0.00 175.26 176.42 2dsm s ILE 42 N -1.54 5.29 -0.08 -1.63 1.01 -1.26 -0.35 121.20 122.64 2dsm s ILE 42 Ca 0.41 0.58 -0.01 0.00 0.00 0.00 0.00 60.65 61.64 2dsm s ILE 42 Cb -0.15 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.70 2dsm s ILE 42 CO 0.20 0.39 -0.03 -0.63 0.00 0.00 0.00 174.94 174.87 2dsm s ILE 43 N 0.45 0.59 0.49 2.92 1.09 -0.07 -0.20 121.20 126.47 2dsm s ILE 43 Ca 0.17 -0.04 -0.24 0.00 -1.10 0.00 0.00 60.65 59.44 2dsm s ILE 43 Cb -0.13 -0.68 -0.07 0.00 -1.06 0.00 0.00 42.46 40.52 2dsm s ILE 43 CO 0.04 0.28 1.36 -0.76 -0.10 0.00 0.00 174.94 175.76 2dsm s LEU 44 N 1.66 4.00 0.00 2.97 1.43 -1.26 -0.66 118.68 126.83 2dsm s LEU 44 Ca 0.01 2.76 0.15 0.00 -1.03 0.00 0.00 54.13 56.02 2dsm s LEU 44 Cb -0.13 -4.11 0.88 0.00 0.03 0.00 0.00 46.19 42.86 2dsm s LEU 44 CO -0.05 -1.28 1.31 0.54 0.23 0.00 0.00 176.35 177.09 2dsm n ARG 45 N -0.55 0.45 0.20 1.70 1.74 0.92 -0.02 116.66 121.11 2dsm n ARG 45 Ca 0.07 0.01 0.06 0.00 -0.77 0.00 0.00 57.85 57.22 2dsm n ARG 45 Cb 0.44 -1.50 0.40 0.00 -1.02 0.00 0.00 32.46 30.78 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 5.08 -1.89 -3.30 114.58 120.03 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 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2dsm h GLU 46 CO 0.00 0.35 0.00 0.09 -1.00 0.00 0.00 179.01 178.45 2dsm n ASN 47 N -3.73 0.68 -0.35 1.42 3.02 0.20 -4.82 115.26 111.70 2dsm n ASN 47 Ca -0.01 -1.14 -0.01 0.00 -0.03 0.00 0.00 54.58 53.39 2dsm n ASN 47 Cb 0.44 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.73 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 1.02 -0.83 3.41 5.85 -0.52 -2.00 115.31 122.24 2dsm h LEU 48 Ca 0.00 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.80 2dsm h LEU 48 Cb 0.35 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 2dsm h LEU 48 CO 0.00 0.70 0.49 -0.33 -0.34 0.00 0.00 178.44 178.95 2dsm h GLU 49 N 1.19 0.80 -0.06 1.25 4.39 -1.85 -0.43 114.58 119.87 2dsm h GLU 49 Ca 0.37 -0.05 -0.25 0.00 0.34 0.00 0.00 59.36 59.77 2dsm h GLU 49 Cb -0.00 -0.18 0.02 0.00 -0.10 0.00 0.00 28.75 28.49 2dsm h GLU 49 CO -0.12 0.53 -0.95 -0.09 -1.16 0.00 0.00 179.01 177.22 2dsm h ARG 50 N 0.82 0.74 -0.28 2.33 2.43 -1.75 -2.25 114.38 116.43 2dsm h ARG 50 Ca 0.40 -0.72 -0.06 0.00 -0.81 0.00 0.00 59.98 58.78 2dsm h ARG 50 Cb 0.33 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2dsm h ARG 50 CO -0.23 1.31 -0.10 -0.92 -1.51 0.00 0.00 179.97 178.51 2dsm h TYR 51 N 0.45 0.49 0.00 2.20 3.20 -0.93 -0.07 116.97 122.31 2dsm h TYR 51 Ca -0.10 -0.07 -0.12 0.00 3.14 0.00 0.00 58.73 61.58 2dsm h TYR 51 Cb 1.59 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.71 2dsm h TYR 51 CO 0.10 0.56 -0.57 -0.07 -1.64 0.00 0.00 178.16 176.53 2dsm h LEU 52 N 0.43 0.00 0.03 2.82 3.38 -1.04 0.38 115.31 121.32 2dsm h LEU 52 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2dsm h LEU 52 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2dsm h LEU 52 CO 0.02 0.57 -0.02 -0.09 0.09 0.00 0.00 178.44 179.02 2dsm h ARG 53 N 0.00 -0.04 0.03 1.13 2.43 -0.62 -3.16 114.38 114.16 2dsm h ARG 53 Ca -0.01 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2dsm h ARG 53 Cb 1.05 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2dsm h ARG 53 CO 0.07 0.23 -0.25 0.93 -1.51 0.00 0.00 179.97 179.45 2dsm h GLU 54 N -0.32 0.07 0.00 0.20 5.08 -0.95 -3.43 114.58 115.23 2dsm h GLU 54 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2dsm h GLU 54 Cb 0.29 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2dsm h GLU 54 CO 0.01 1.06 -0.19 0.94 -1.00 0.00 0.00 179.01 179.82 2dsm n GLN 55 N -4.48 0.12 -4.41 2.33 -0.06 0.13 -4.94 117.38 106.06 2dsm n GLN 55 Ca -0.12 0.16 -0.40 0.00 -2.00 0.00 0.00 57.00 54.64 2dsm n GLN 55 Cb 0.57 -0.82 -0.06 0.00 -4.06 0.00 0.00 30.24 25.87 2dsm n GLN 55 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2dsm n LEU 56 N -2.91 -1.19 -0.05 1.69 7.94 -1.07 -4.84 117.00 116.58 2dsm n LEU 56 Ca -0.03 -1.15 0.02 0.00 -1.11 0.00 0.00 56.01 53.74 2dsm n LEU 56 Cb 0.10 -1.80 -0.15 0.00 0.53 0.00 0.00 43.42 42.10 2dsm n LEU 56 CO 0.04 0.18 -0.90 0.61 -1.11 0.00 0.00 177.39 176.21 2dsm n GLY 57 N -1.22 -0.93 7.00 -3.96 0.00 -1.26 -5.06 105.19 99.75 2dsm n GLY 57 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.42 -0.12 -3.91 1.61 3.72 -1.26 -3.62 117.46 111.46 2dsm n PHE 58 Ca -0.15 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.91 2dsm n PHE 58 Cb 0.78 0.08 -0.13 0.00 -0.94 0.00 0.00 39.48 39.27 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 1.86 -0.33 -1.08 2.56 -1.26 -4.29 118.70 116.16 2dsm s GLU 59 Ca 0.00 -1.75 -0.08 0.00 0.00 0.00 0.00 54.97 53.14 2dsm s GLU 59 Cb 0.00 -3.35 0.02 0.00 2.00 0.00 0.00 34.13 32.81 2dsm s GLU 59 CO 0.00 -0.94 0.13 0.12 -0.56 0.00 0.00 175.26 174.01 2dsm s PHE 60 N 1.06 3.22 0.00 5.30 5.36 -1.24 -5.01 117.98 126.66 2dsm s PHE 60 Ca 0.07 -1.10 0.00 0.00 -0.96 0.00 0.00 56.93 54.94 2dsm s PHE 60 Cb -0.21 -2.32 0.00 0.00 -0.34 0.00 0.00 43.02 40.15 2dsm s PHE 60 CO -0.05 -0.64 0.00 1.63 -1.46 0.00 0.00 175.22 174.69 2dsm n LYS 61 N 4.89 1.61 0.00 10.12 4.76 -1.26 -5.16 118.16 133.12 2dsm n LYS 61 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 2dsm n LYS 61 Cb 0.46 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.65 2dsm n LYS 61 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2dsm n ASN 62 N -1.40 0.00 0.16 4.39 0.23 -1.26 -4.97 115.26 112.41 2dsm n ASN 62 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.17 2dsm n ASN 62 Cb 0.00 0.00 0.58 0.00 -2.08 0.00 0.00 39.78 38.28 2dsm n ASN 62 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dsm h ALA 63 N 2.00 1.00 -0.92 -2.53 0.00 -2.07 -3.45 119.26 113.29 2dsm h ALA 63 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 2dsm h ALA 63 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.63 2dsm h ALA 63 CO 0.00 0.00 -0.36 1.04 0.00 0.00 0.00 179.25 179.93 2dsm n GLN 64 N -2.30 -1.38 0.18 0.00 1.13 -1.26 -4.83 117.38 108.91 2dsm n GLN 64 Ca -0.00 1.18 0.05 0.00 -1.94 0.00 0.00 57.00 56.29 2dsm n GLN 64 Cb 0.11 -5.52 0.24 0.00 0.11 0.00 0.00 30.24 25.18 2dsm n GLN 64 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2dsm h LEU 65 N 0.00 0.00 -3.12 1.08 3.38 -2.04 -3.48 115.31 111.13 2dsm h LEU 65 Ca -0.40 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.33 2dsm h LEU 65 Cb 1.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.04 2dsm h LEU 65 CO 0.58 0.40 -0.98 1.21 0.09 0.00 0.00 178.44 179.74 2dsm n GLU 66 N -3.39 -2.03 -3.29 1.13 4.07 -1.26 -4.98 120.64 110.89 2dsm n GLU 66 Ca 0.01 1.65 -0.25 0.00 -0.06 0.00 0.00 57.16 58.50 2dsm n GLU 66 Cb 0.58 -3.20 -0.08 0.00 -0.06 0.00 0.00 31.44 28.68 2dsm n GLU 66 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2dsm n HIS 67 N -0.11 0.05 -1.97 4.31 8.25 -1.26 -5.10 115.22 119.40 2dsm n HIS 67 Ca -0.02 -3.59 -0.42 0.00 -0.26 0.00 0.00 57.72 53.44 2dsm n HIS 67 Cb 0.59 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.02 3.04 -1.33 4.41 3.76 -1.26 -4.88 115.29 118.02 2dsm s HIS 68 Ca 0.35 0.81 0.20 0.00 -0.15 0.00 0.00 55.06 56.26 2dsm s HIS 68 Cb 0.13 -3.88 0.95 0.00 1.11 0.00 0.00 32.58 30.89 2dsm s HIS 68 CO -0.12 -3.08 1.62 0.72 -0.85 0.00 0.00 174.74 173.02 2dsm n HIS 69 N 3.25 0.00 -3.78 1.40 8.25 -1.26 -4.03 115.22 119.04 2dsm n HIS 69 Ca 0.11 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.27 2dsm n HIS 69 Cb 0.39 -0.34 -0.16 0.00 1.12 0.00 0.00 29.99 31.01 2dsm n HIS 69 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2dsm s HIS 70 N -2.67 1.71 -0.32 4.41 5.65 -1.26 -5.09 115.29 117.72 2dsm s HIS 70 Ca 0.16 -1.53 -0.28 0.00 0.25 0.00 0.00 55.06 53.66 2dsm s HIS 70 Cb 0.13 -1.54 -0.04 0.00 -1.18 0.00 0.00 32.58 29.95 2dsm s HIS 70 CO 0.31 -0.78 2.12 -3.38 -0.65 0.00 0.00 174.74 172.36 2dsm s HIS 71 N 1.62 1.34 0.00 3.88 0.00 -1.26 -5.17 115.29 115.70 2dsm s HIS 71 Ca 0.04 0.75 0.00 0.00 -3.00 0.00 0.00 55.06 52.85 2dsm s HIS 71 Cb -0.18 -3.93 0.00 0.00 -4.00 0.00 0.00 32.58 24.48 2dsm s HIS 71 CO -0.16 -3.43 0.00 1.58 -1.00 0.00 0.00 174.74 171.73