#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 2.40 -0.43 2.03 -7.23 -1.26 -5.09 120.40 110.82 2dsm s VAL 2 Ca 0.00 -0.94 0.03 0.00 -1.81 0.00 0.00 61.98 59.26 2dsm s VAL 2 Cb 0.00 -1.91 0.12 0.00 0.56 0.00 0.00 36.38 35.15 2dsm s VAL 2 CO 0.00 0.57 0.18 -0.70 -0.31 0.00 0.00 175.10 174.83 2dsm s GLU 3 N -0.16 1.57 -0.20 4.82 2.12 -1.26 -5.05 118.70 120.55 2dsm s GLU 3 Ca -0.03 -2.13 0.00 0.00 0.36 0.00 0.00 54.97 53.17 2dsm s GLU 3 Cb -0.14 -2.96 0.05 0.00 0.26 0.00 0.00 34.13 31.34 2dsm s GLU 3 CO 0.04 -1.06 -0.08 1.21 -0.54 0.00 0.00 175.26 174.83 2dsm s ASN 4 N 0.37 3.32 -0.11 -1.70 2.47 -1.26 -5.10 114.94 112.93 2dsm s ASN 4 Ca 0.15 -0.87 -0.29 0.00 0.42 0.00 0.00 52.86 52.26 2dsm s ASN 4 Cb -0.23 -1.14 -0.05 0.00 -1.45 0.00 0.00 41.25 38.39 2dsm s ASN 4 CO -0.05 -0.17 1.69 -2.16 -3.72 0.00 0.00 177.10 172.69 2dsm s PRO 5 N 1.46 4.01 -0.54 0.43 0.04 -1.26 -4.95 135.00 134.19 2dsm s PRO 5 Ca -0.01 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.80 2dsm s PRO 5 Cb -0.16 -4.03 0.03 0.00 0.04 0.00 0.00 34.50 30.38 2dsm s PRO 5 CO -0.08 -1.05 1.12 1.41 0.04 0.00 0.00 177.00 178.44 2dsm s MET 6 N 4.37 3.54 -0.22 4.56 1.75 -1.26 -4.99 119.30 127.05 2dsm s MET 6 Ca 0.75 0.24 -0.29 0.00 -1.25 0.00 0.00 55.69 55.15 2dsm s MET 6 Cb -0.31 -3.99 0.01 0.00 2.84 0.00 0.00 34.83 33.38 2dsm s MET 6 CO 0.30 -1.54 1.01 0.08 -0.65 0.00 0.00 175.02 174.23 2dsm s VAL 7 N 4.58 4.71 0.25 10.11 1.01 -1.26 -5.00 120.40 134.79 2dsm s VAL 7 Ca 0.42 1.98 -0.30 0.00 0.00 0.00 0.00 61.98 64.08 2dsm s VAL 7 Cb -0.08 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 2dsm s VAL 7 CO 0.26 -0.15 1.38 0.27 0.00 0.00 0.00 175.10 176.87 2dsm s ILE 8 N 3.04 2.82 -1.49 2.22 -4.36 -1.26 -4.90 121.20 117.26 2dsm s ILE 8 Ca 0.43 0.70 -0.13 0.00 -0.26 0.00 0.00 60.65 61.40 2dsm s ILE 8 Cb -0.15 -3.45 0.01 0.00 1.25 0.00 0.00 42.46 40.12 2dsm s ILE 8 CO 0.07 0.12 2.41 -0.46 0.24 0.00 0.00 174.94 177.32 2dsm n ASN 9 N 2.20 5.28 -3.13 4.36 6.94 -1.26 -4.43 115.26 125.23 2dsm n ASN 9 Ca 0.06 -2.79 -0.04 0.00 -0.02 0.00 0.00 54.58 51.79 2dsm n ASN 9 Cb 0.41 -1.62 0.00 0.00 -2.36 0.00 0.00 39.78 36.21 2dsm n ASN 9 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2dsm n ASN 10 N 5.26 -7.46 -4.88 0.53 3.02 -1.26 -5.00 115.26 105.48 2dsm n ASN 10 Ca 0.59 -0.10 -0.33 0.00 -0.03 0.00 0.00 54.58 54.70 2dsm n ASN 10 Cb 0.34 -4.86 -0.05 0.00 -0.61 0.00 0.00 39.78 34.60 2dsm n ASN 10 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2dsm s TRP 11 N -2.93 3.52 0.76 3.10 -0.11 -1.26 -5.10 118.94 116.93 2dsm s TRP 11 Ca 0.03 0.70 -0.04 0.00 1.22 0.00 0.00 56.10 58.01 2dsm s TRP 11 Cb -0.01 -2.10 0.13 0.00 -1.50 0.00 0.00 33.47 29.99 2dsm s TRP 11 CO 0.77 0.46 1.05 -1.01 -4.62 0.00 0.00 176.95 173.61 2dsm s HIS 12 N -1.54 1.76 0.12 5.86 3.76 -1.26 -5.08 115.29 118.91 2dsm s HIS 12 Ca 0.37 -0.08 -0.09 0.00 -0.15 0.00 0.00 55.06 55.12 2dsm s HIS 12 Cb -0.13 -3.24 -0.06 0.00 1.11 0.00 0.00 32.58 30.27 2dsm s HIS 12 CO 0.21 -1.84 0.42 -0.51 -0.85 0.00 0.00 174.74 172.17 2dsm s ASP 13 N -4.74 6.61 -0.03 1.40 1.11 -1.26 -4.97 116.67 114.79 2dsm s ASP 13 Ca 0.67 0.77 0.22 0.00 0.18 0.00 0.00 52.55 54.38 2dsm s ASP 13 Cb -0.06 -2.17 -0.30 0.00 1.07 0.00 0.00 42.92 41.46 2dsm s ASP 13 CO 0.46 0.10 0.49 1.17 1.18 0.00 0.00 175.17 178.56 2dsm n LYS 14 N 0.51 0.66 -2.51 8.23 0.00 -1.26 -4.80 118.16 118.98 2dsm n LYS 14 Ca -0.05 -0.15 -0.40 0.00 0.00 0.00 0.00 58.31 57.71 2dsm n LYS 14 Cb 0.52 -1.55 -0.02 0.00 0.00 0.00 0.00 35.03 33.98 2dsm n LYS 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2dsm s LEU 15 N -4.70 3.59 0.03 3.14 1.43 -1.26 -4.89 118.68 116.03 2dsm s LEU 15 Ca -0.08 -1.79 -0.13 0.00 -1.03 0.00 0.00 54.13 51.11 2dsm s LEU 15 Cb 0.13 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.79 2dsm s LEU 15 CO 0.89 -1.53 0.28 -0.89 0.23 0.00 0.00 176.35 175.33 2dsm s THR 16 N 5.29 0.08 0.30 5.49 2.01 -1.26 -5.14 115.64 122.41 2dsm s THR 16 Ca 0.51 -0.68 -0.29 0.00 0.31 0.00 0.00 61.69 61.54 2dsm s THR 16 Cb 0.01 -0.87 -0.10 0.00 0.01 0.00 0.00 72.50 71.56 2dsm s THR 16 CO -0.02 -0.37 1.28 -1.61 -0.69 0.00 0.00 174.62 173.21 2dsm s GLU 17 N -2.31 4.40 0.00 4.92 0.41 -1.26 -4.92 118.70 119.94 2dsm s GLU 17 Ca -0.07 2.13 0.00 0.00 -0.41 0.00 0.00 54.97 56.62 2dsm s GLU 17 Cb -0.02 -3.11 0.00 0.00 -1.78 0.00 0.00 34.13 29.22 2dsm s GLU 17 CO -0.02 -0.14 0.15 2.41 -0.49 0.00 0.00 175.26 177.17 2dsm n THR 18 N 1.17 0.00 0.65 3.63 -1.04 -1.26 -4.56 114.28 112.87 2dsm n THR 18 Ca 0.01 -0.47 0.01 0.00 -2.04 0.00 0.00 64.05 61.55 2dsm n THR 18 Cb 0.42 1.02 0.07 0.00 -1.82 0.00 0.00 70.33 70.02 2dsm n THR 18 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2dsm n ASP 19 N -0.64 2.02 -4.54 8.00 8.00 -1.26 -4.74 116.55 123.38 2dsm n ASP 19 Ca 0.00 -2.18 -0.41 0.00 0.71 0.00 0.00 54.79 52.90 2dsm n ASP 19 Cb 0.00 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.54 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 -1.24 4.01 0.59 2.53 1.01 -1.26 -4.83 120.40 121.22 2dsm s VAL 20 Ca 0.10 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2dsm s VAL 20 Cb 0.08 -4.98 0.03 0.00 0.00 0.00 0.00 36.38 31.50 2dsm s VAL 20 CO 0.03 -1.85 0.88 0.00 0.00 0.00 0.00 175.10 174.16 2dsm s GLN 21 N 4.78 2.67 0.04 2.72 -2.07 -1.16 -4.94 119.66 121.70 2dsm s GLN 21 Ca 0.41 -0.28 0.02 0.00 -1.82 0.00 0.00 55.36 53.69 2dsm s GLN 21 Cb -0.03 -2.32 -0.02 0.00 -1.09 0.00 0.00 33.01 29.55 2dsm s GLN 21 CO -0.04 -0.79 -0.07 0.42 -1.32 0.00 0.00 175.29 173.48 2dsm s ILE 22 N -2.96 0.51 1.12 3.63 1.01 -1.26 -0.66 121.20 122.59 2dsm s ILE 22 Ca 0.55 -1.00 -0.19 0.00 0.00 0.00 0.00 60.65 60.01 2dsm s ILE 22 Cb -0.10 -0.57 0.27 0.00 0.01 0.00 0.00 42.46 42.06 2dsm s ILE 22 CO 0.43 -0.35 1.24 -0.90 0.00 0.00 0.00 174.94 175.36 2dsm n ASP 23 N 1.59 -0.98 -0.15 3.58 5.75 -1.26 -4.73 116.55 120.35 2dsm n ASP 23 Ca -0.22 -1.34 0.06 0.00 -0.01 0.00 0.00 54.79 53.28 2dsm n ASP 23 Cb 0.55 -1.03 0.36 0.00 -1.03 0.00 0.00 41.12 39.97 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 -2.26 0.72 0.00 2.11 3.57 -0.33 -2.56 116.94 118.19 2dsm h PHE 24 Ca -0.43 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2dsm h PHE 24 Cb 1.24 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2dsm h PHE 24 CO 0.00 0.40 -0.30 0.66 -2.23 0.00 0.00 178.31 176.84 2dsm n TYR 25 N -4.47 0.45 -1.51 0.41 4.02 -1.26 -4.94 117.16 109.86 2dsm n TYR 25 Ca 0.09 0.13 0.00 0.00 -0.01 0.00 0.00 57.90 58.11 2dsm n TYR 25 Cb 0.20 -0.63 0.00 0.00 -0.02 0.00 0.00 39.34 38.89 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 1.39 0.94 0.00 2.72 0.00 -0.97 -5.06 105.19 104.21 2dsm n GLY 26 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.08 -1.26 -4.99 116.55 112.63 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 0.31 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.77 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 0.00 0.00 -3.99 -0.67 2.13 -1.26 -4.90 120.64 111.96 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 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 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 0.00 1.85 0.43 6.31 1.01 0.16 -4.86 120.40 125.31 2dsm s VAL 29 Ca 0.00 -1.61 0.06 0.00 0.00 0.00 0.00 61.98 60.43 2dsm s VAL 29 Cb 0.00 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.25 2dsm s VAL 29 CO 0.00 -0.22 0.60 0.42 0.00 0.00 0.00 175.10 175.89 2dsm s THR 30 N 1.21 3.30 -0.74 3.92 -4.23 -1.26 -3.00 115.64 114.83 2dsm s THR 30 Ca -0.02 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 2dsm s THR 30 Cb -0.19 -3.15 0.02 0.00 1.34 0.00 0.00 72.50 70.52 2dsm s THR 30 CO -0.08 -0.07 0.98 -2.65 -0.54 0.00 0.00 174.62 172.26 2dsm n PRO 31 N -1.92 0.01 -0.29 3.99 -0.02 -1.26 -0.27 135.00 135.24 2dsm n PRO 31 Ca 0.05 0.44 0.09 0.00 -2.02 0.00 0.00 63.50 62.06 2dsm n PRO 31 Cb 0.59 -1.64 0.25 0.00 -0.02 0.00 0.00 33.50 32.68 2dsm n PRO 31 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2dsm n VAL 32 N -1.50 1.03 -4.18 -1.45 0.24 -1.26 -4.94 118.33 106.27 2dsm n VAL 32 Ca -0.00 -1.01 -0.32 0.00 -2.04 0.00 0.00 64.34 60.96 2dsm n VAL 32 Cb 0.09 0.49 -0.08 0.00 -1.47 0.00 0.00 33.84 32.87 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 -1.01 5.39 -0.18 -1.34 1.01 0.62 -5.09 116.67 116.08 2dsm s ASP 33 Ca 0.37 0.05 -0.21 0.00 0.71 0.00 0.00 52.55 53.48 2dsm s ASP 33 Cb 0.20 -1.47 -0.03 0.00 1.01 0.00 0.00 42.92 42.63 2dsm s ASP 33 CO 0.25 0.26 0.61 -1.81 0.21 0.00 0.00 175.17 174.69 2dsm s ASP 34 N -1.74 6.70 0.16 0.27 1.01 -1.26 -4.82 116.67 116.99 2dsm s ASP 34 Ca 0.22 0.85 -0.10 0.00 0.71 0.00 0.00 52.55 54.24 2dsm s ASP 34 Cb -0.12 -2.34 -0.00 0.00 1.01 0.00 0.00 42.92 41.46 2dsm s ASP 34 CO 0.13 -0.22 0.30 -0.72 0.21 0.00 0.00 175.17 174.87 2dsm s TYR 35 N 1.65 0.33 0.05 4.23 1.13 -1.26 -0.88 117.35 122.59 2dsm s TYR 35 Ca 0.29 -0.70 0.03 0.00 -1.41 0.00 0.00 57.07 55.29 2dsm s TYR 35 Cb -0.16 -0.02 -0.02 0.00 -1.10 0.00 0.00 41.96 40.66 2dsm s TYR 35 CO 0.11 -0.72 -0.11 0.08 -2.51 0.00 0.00 175.55 172.40 2dsm s VAL 36 N -3.95 0.80 -0.33 -3.49 1.01 -0.11 -4.84 120.40 109.48 2dsm s VAL 36 Ca 0.15 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 2dsm s VAL 36 Cb 0.03 -0.80 0.06 0.00 0.00 0.00 0.00 36.38 35.67 2dsm s VAL 36 CO -0.01 -0.24 0.07 -0.63 0.00 0.00 0.00 175.10 174.28 2dsm s ILE 37 N -1.18 3.27 -1.28 2.22 1.01 -1.26 -1.14 121.20 122.85 2dsm s ILE 37 Ca -0.05 -1.43 -0.16 0.00 0.00 0.00 0.00 60.65 59.01 2dsm s ILE 37 Cb -0.09 -2.94 0.10 0.00 0.01 0.00 0.00 42.46 39.55 2dsm s ILE 37 CO 0.01 -0.23 1.66 0.47 0.00 0.00 0.00 174.94 176.84 2dsm n ASP 38 N 4.67 5.01 0.00 3.58 9.92 0.68 -4.40 116.55 136.01 2dsm n ASP 38 Ca -0.11 -2.94 0.00 0.00 -0.53 0.00 0.00 54.79 51.21 2dsm n ASP 38 Cb 0.43 -1.69 0.00 0.00 -0.64 0.00 0.00 41.12 39.23 2dsm n ASP 38 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dsm n GLY 39 N 4.90 0.22 0.00 0.44 0.00 -0.81 -2.12 105.19 107.81 2dsm n GLY 39 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.96 1.00 3.73 -0.02 0.00 -1.26 -4.81 105.19 102.88 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 4.62 -0.24 1.61 2.02 -0.90 -5.04 118.70 120.78 2dsm s GLU 41 Ca 0.00 1.32 -0.14 0.00 0.02 0.00 0.00 54.97 56.17 2dsm s GLU 41 Cb 0.00 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 2dsm s GLU 41 CO 0.00 0.22 0.32 0.42 0.02 0.00 0.00 175.26 176.24 2dsm s ILE 42 N 0.05 5.23 -0.07 -1.63 1.01 -1.26 -0.23 121.20 124.30 2dsm s ILE 42 Ca 0.44 0.51 0.01 0.00 0.00 0.00 0.00 60.65 61.62 2dsm s ILE 42 Cb -0.22 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.61 2dsm s ILE 42 CO 0.27 0.24 -0.10 -0.63 0.00 0.00 0.00 174.94 174.72 2dsm s ILE 43 N 1.56 1.05 0.44 2.92 1.09 -0.29 0.51 121.20 128.49 2dsm s ILE 43 Ca 0.14 -0.40 -0.25 0.00 -1.10 0.00 0.00 60.65 59.04 2dsm s ILE 43 Cb -0.15 -1.00 -0.08 0.00 -1.06 0.00 0.00 42.46 40.17 2dsm s ILE 43 CO 0.08 0.35 1.38 -0.22 -0.10 0.00 0.00 174.94 176.43 2dsm s LEU 44 N 0.94 4.13 0.66 2.97 2.96 -1.26 -0.94 118.68 128.13 2dsm s LEU 44 Ca -0.10 2.82 0.34 0.00 -0.22 0.00 0.00 54.13 56.97 2dsm s LEU 44 Cb -0.15 -3.95 1.86 0.00 0.50 0.00 0.00 46.19 44.45 2dsm s LEU 44 CO 0.00 -1.10 2.07 0.03 -1.32 0.00 0.00 176.35 176.04 2dsm h ARG 45 N 2.38 0.00 -0.19 1.98 2.47 -1.34 -2.28 114.38 117.40 2dsm h ARG 45 Ca -0.50 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.20 2dsm h ARG 45 Cb 1.26 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.57 2dsm h ARG 45 CO 0.61 0.00 0.07 1.49 0.56 0.00 0.00 179.97 182.70 2dsm h GLU 46 N 0.00 0.29 -0.05 0.04 4.22 -1.89 -2.66 114.58 114.53 2dsm h GLU 46 Ca 0.02 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2dsm h GLU 46 Cb 0.48 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2dsm h GLU 46 CO -0.00 0.38 0.00 0.09 -2.18 0.00 0.00 179.01 177.30 2dsm n ASN 47 N -4.82 2.57 -0.04 1.04 4.13 -0.90 -4.38 115.26 112.85 2dsm n ASN 47 Ca -0.04 -1.85 -0.07 0.00 1.68 0.00 0.00 54.58 54.30 2dsm n ASN 47 Cb 0.14 -0.02 0.10 0.00 -1.54 0.00 0.00 39.78 38.46 2dsm n ASN 47 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2dsm h LEU 48 N 3.96 0.69 -1.57 3.41 7.12 -1.07 -2.67 115.31 125.18 2dsm h LEU 48 Ca 0.00 -0.28 0.00 0.00 0.13 0.00 0.00 57.88 57.74 2dsm h LEU 48 Cb 0.84 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.76 2dsm h LEU 48 CO 0.00 0.96 0.29 -0.33 -0.13 0.00 0.00 178.44 179.22 2dsm h GLU 49 N 0.57 0.57 -0.03 1.25 5.08 -1.76 0.65 114.58 120.90 2dsm h GLU 49 Ca 0.07 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.20 2dsm h GLU 49 Cb 0.82 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2dsm h GLU 49 CO 0.07 0.38 -0.82 -0.09 -1.00 0.00 0.00 179.01 177.55 2dsm h ARG 50 N 0.59 0.31 -0.79 2.33 2.43 -1.80 -2.17 114.38 115.28 2dsm h ARG 50 Ca 0.16 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2dsm h ARG 50 Cb -0.07 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 2dsm h ARG 50 CO -0.03 0.97 0.48 1.88 -1.51 0.00 0.00 179.97 181.76 2dsm h TYR 51 N 0.19 1.04 -0.33 2.20 -1.99 -0.81 -1.47 116.97 115.80 2dsm h TYR 51 Ca -0.04 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.64 2dsm h TYR 51 Cb 1.42 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 39.79 2dsm h TYR 51 CO 0.04 0.69 0.02 -0.07 -0.00 0.00 0.00 178.16 178.84 2dsm h LEU 52 N 1.08 0.47 -0.58 3.88 3.38 -0.82 0.16 115.31 122.88 2dsm h LEU 52 Ca 0.28 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2dsm h LEU 52 Cb -0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2dsm h LEU 52 CO -0.05 0.52 0.12 -0.09 0.09 0.00 0.00 178.44 179.03 2dsm h ARG 53 N 0.49 0.93 0.00 1.13 2.43 -0.65 -2.78 114.38 115.93 2dsm h ARG 53 Ca 0.11 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2dsm h ARG 53 Cb 0.29 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2dsm h ARG 53 CO 0.01 0.87 -0.08 0.93 -1.51 0.00 0.00 179.97 180.19 2dsm h GLU 54 N 0.84 0.00 0.00 0.20 3.07 -0.92 -3.43 114.58 114.33 2dsm h GLU 54 Ca 0.18 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.87 2dsm h GLU 54 Cb 0.37 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.25 2dsm h GLU 54 CO 0.01 0.00 -2.01 0.00 -1.40 0.00 0.00 179.01 175.61 2dsm n GLN 55 N -3.05 0.92 -3.29 2.33 10.64 0.36 -5.03 117.38 120.27 2dsm n GLN 55 Ca -0.01 -0.08 -0.17 0.00 -1.83 0.00 0.00 57.00 54.91 2dsm n GLN 55 Cb 0.04 -1.43 0.07 0.00 -0.86 0.00 0.00 30.24 28.05 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 -2.40 -3.29 0.00 2.61 7.94 -0.04 -3.01 117.00 118.81 2dsm n LEU 56 Ca -0.16 -0.45 0.00 0.00 -1.11 0.00 0.00 56.01 54.28 2dsm n LEU 56 Cb 0.79 -2.54 0.00 0.00 0.53 0.00 0.00 43.42 42.19 2dsm n LEU 56 CO 0.37 0.45 0.00 0.61 -1.11 0.00 0.00 177.39 177.71 2dsm n GLY 57 N -1.50 2.78 3.76 -3.96 0.00 -1.26 -4.94 105.19 100.07 2dsm n GLY 57 Ca -0.07 0.00 -0.38 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 -1.99 3.60 -0.58 1.61 0.08 -1.16 -1.93 117.98 117.61 2dsm s PHE 58 Ca 0.00 0.97 -0.20 0.00 0.12 0.00 0.00 56.93 57.82 2dsm s PHE 58 Cb 0.00 -2.50 0.08 0.00 -0.57 0.00 0.00 43.02 40.03 2dsm s PHE 58 CO 0.00 0.32 0.74 -2.00 -0.10 0.00 0.00 175.22 174.18 2dsm s GLU 59 N 0.06 3.10 -0.54 0.44 2.12 -1.26 -4.84 118.70 117.78 2dsm s GLU 59 Ca 0.26 -1.04 -0.28 0.00 0.36 0.00 0.00 54.97 54.27 2dsm s GLU 59 Cb -0.16 -4.20 0.02 0.00 0.26 0.00 0.00 34.13 30.06 2dsm s GLU 59 CO 0.12 -1.49 1.26 -0.06 -0.54 0.00 0.00 175.26 174.55 2dsm s PHE 60 N 2.99 2.54 0.67 5.30 0.08 -1.26 -5.00 117.98 123.30 2dsm s PHE 60 Ca 0.16 0.51 0.02 0.00 0.12 0.00 0.00 56.93 57.73 2dsm s PHE 60 Cb -0.21 -4.45 0.11 0.00 -0.57 0.00 0.00 43.02 37.90 2dsm s PHE 60 CO 0.09 -1.68 0.93 0.21 -0.10 0.00 0.00 175.22 174.67 2dsm s LYS 61 N 5.01 1.90 0.02 0.44 2.47 -1.26 -5.12 119.74 123.19 2dsm s LYS 61 Ca 0.48 -1.20 -0.05 0.00 -1.56 0.00 0.00 55.97 53.64 2dsm s LYS 61 Cb -0.09 -2.42 -0.01 0.00 -1.46 0.00 0.00 37.83 33.86 2dsm s LYS 61 CO 0.27 -1.24 0.10 1.21 0.16 0.00 0.00 175.35 175.85 2dsm s ASN 62 N -4.69 0.12 0.52 1.43 2.47 -1.26 -5.04 114.94 108.49 2dsm s ASN 62 Ca 0.64 -0.38 0.31 0.00 0.42 0.00 0.00 52.86 53.85 2dsm s ASN 62 Cb -0.06 0.20 1.44 0.00 -1.45 0.00 0.00 41.25 41.37 2dsm s ASN 62 CO 0.42 -0.41 1.85 0.00 -3.72 0.00 0.00 177.10 175.24 2dsm h ALA 63 N 4.09 2.83 -1.37 1.71 0.00 -2.06 -3.45 119.26 120.99 2dsm h ALA 63 Ca -0.32 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 2dsm h ALA 63 Cb 1.19 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2dsm h ALA 63 CO 0.44 -1.13 -0.29 1.04 0.00 0.00 0.00 179.25 179.32 2dsm n GLN 64 N -4.30 -0.95 0.18 0.00 1.13 -1.26 -4.89 117.38 107.29 2dsm n GLN 64 Ca 0.22 0.72 0.04 0.00 -1.94 0.00 0.00 57.00 56.03 2dsm n GLN 64 Cb 1.03 -4.85 0.45 0.00 0.11 0.00 0.00 30.24 26.98 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 0.10 0.00 1.08 3.38 -2.06 -3.46 115.31 114.35 2dsm h LEU 65 Ca -0.28 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2dsm h LEU 65 Cb 1.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2dsm h LEU 65 CO 0.36 0.27 0.00 -0.62 0.09 0.00 0.00 178.44 178.53 2dsm n GLU 66 N -4.31 0.00 -2.13 1.13 1.02 -1.26 -4.95 120.64 110.14 2dsm n GLU 66 Ca -0.02 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.71 2dsm n GLU 66 Cb 0.25 -3.40 -0.03 0.00 -0.02 0.00 0.00 31.44 28.24 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 -2.14 3.14 0.00 -0.32 3.76 -1.26 -1.68 115.29 116.78 2dsm s HIS 67 Ca 0.00 1.21 0.00 0.00 -0.15 0.00 0.00 55.06 56.12 2dsm s HIS 67 Cb 0.00 -3.69 0.00 0.00 1.11 0.00 0.00 32.58 30.00 2dsm s HIS 67 CO 0.00 -2.12 0.00 0.72 -0.85 0.00 0.00 174.74 172.49 2dsm n HIS 68 N 2.08 0.00 -2.63 1.40 8.25 -1.26 -4.51 115.22 118.55 2dsm n HIS 68 Ca 0.05 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.46 2dsm n HIS 68 Cb 0.42 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.46 2dsm n HIS 68 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2dsm n HIS 69 N -0.72 -4.43 -1.41 4.41 -0.00 -0.68 -4.87 115.22 107.52 2dsm n HIS 69 Ca 0.00 2.47 0.00 0.00 -0.00 0.00 0.00 57.72 60.19 2dsm n HIS 69 Cb 0.00 -3.96 0.00 0.00 -0.00 0.00 0.00 29.99 26.03 2dsm n HIS 69 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2dsm n HIS 70 N 1.53 -2.58 -1.65 4.41 8.25 -1.26 -4.85 115.22 119.07 2dsm n HIS 70 Ca -0.35 1.55 -0.43 0.00 -0.26 0.00 0.00 57.72 58.24 2dsm n HIS 70 Cb 0.54 -2.91 -0.03 0.00 1.12 0.00 0.00 29.99 28.71 2dsm n HIS 70 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2dsm n HIS 71 N 0.98 2.38 -0.63 4.41 1.44 -1.26 -5.06 115.22 117.48 2dsm n HIS 71 Ca 0.00 -0.29 0.00 0.00 -2.01 0.00 0.00 57.72 55.42 2dsm n HIS 71 Cb 0.00 -2.77 0.00 0.00 0.12 0.00 0.00 29.99 27.34 2dsm n HIS 71 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11