#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 0.52 -3.81 1.12 -1.51 -2.14 -3.40 116.25 107.03 2dsm h VAL 2 Ca 0.00 -0.56 -0.22 0.00 -1.23 0.00 0.00 66.70 64.69 2dsm h VAL 2 Cb 0.00 1.38 -0.26 0.00 -2.13 0.00 0.00 31.29 30.28 2dsm h VAL 2 CO 0.00 0.12 -0.72 -0.70 -1.23 0.00 0.00 177.57 175.04 2dsm s GLU 3 N -4.12 0.12 -0.33 5.19 2.56 -1.26 -5.13 118.70 115.73 2dsm s GLU 3 Ca -0.02 -0.19 -0.16 0.00 0.00 0.00 0.00 54.97 54.59 2dsm s GLU 3 Cb 0.13 0.00 -0.01 0.00 2.00 0.00 0.00 34.13 36.25 2dsm s GLU 3 CO 0.58 -0.01 0.43 1.21 -0.56 0.00 0.00 175.26 176.92 2dsm s ASN 4 N -0.44 6.26 -0.18 -1.70 2.47 -1.26 -5.03 114.94 115.07 2dsm s ASN 4 Ca -0.04 -0.02 -0.29 0.00 0.42 0.00 0.00 52.86 52.93 2dsm s ASN 4 Cb -0.03 -2.23 -0.05 0.00 -1.45 0.00 0.00 41.25 37.48 2dsm s ASN 4 CO -0.00 -0.37 2.08 -2.84 -3.72 0.00 0.00 177.10 172.25 2dsm s PRO 5 N 2.19 3.41 -0.82 0.43 0.02 -1.26 -4.88 135.00 134.10 2dsm s PRO 5 Ca 0.16 2.06 -0.25 0.00 0.02 0.00 0.00 61.00 62.99 2dsm s PRO 5 Cb -0.16 -4.29 -0.05 0.00 0.02 0.00 0.00 34.50 30.03 2dsm s PRO 5 CO 0.12 -1.79 1.95 -1.64 -0.33 0.00 0.00 177.00 175.32 2dsm s MET 6 N 5.77 2.52 -1.37 5.54 -1.94 -1.26 -4.83 119.30 123.73 2dsm s MET 6 Ca 0.94 -0.01 -0.06 0.00 -1.71 0.00 0.00 55.69 54.85 2dsm s MET 6 Cb -0.33 -4.88 0.09 0.00 2.01 0.00 0.00 34.83 31.72 2dsm s MET 6 CO 0.36 -3.27 2.46 0.28 -0.01 0.00 0.00 175.02 174.84 2dsm n VAL 7 N 7.76 5.06 -4.20 -6.03 0.31 -1.26 -4.89 118.33 115.07 2dsm n VAL 7 Ca 0.36 -4.04 -0.20 0.00 -0.01 0.00 0.00 64.34 60.44 2dsm n VAL 7 Cb 0.48 -2.17 -0.12 0.00 -0.91 0.00 0.00 33.84 31.12 2dsm n VAL 7 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2dsm s ILE 8 N -0.55 1.28 0.27 2.52 -4.36 -1.26 -5.15 121.20 113.95 2dsm s ILE 8 Ca 0.56 -1.38 -0.02 0.00 -0.26 0.00 0.00 60.65 59.55 2dsm s ILE 8 Cb 0.18 -1.21 -0.04 0.00 1.25 0.00 0.00 42.46 42.64 2dsm s ILE 8 CO -0.09 -0.18 0.50 0.21 0.24 0.00 0.00 174.94 175.62 2dsm s ASN 9 N -1.79 6.39 1.29 4.36 2.47 -1.26 -5.09 114.94 121.31 2dsm s ASN 9 Ca 0.00 0.55 -0.21 0.00 0.42 0.00 0.00 52.86 53.62 2dsm s ASN 9 Cb -0.10 -2.07 0.32 0.00 -1.45 0.00 0.00 41.25 37.95 2dsm s ASN 9 CO 0.03 -0.17 1.04 -3.20 -3.72 0.00 0.00 177.10 171.09 2dsm n ASN 10 N -1.03 -2.48 -4.70 -4.21 2.85 -1.26 -4.82 115.26 99.61 2dsm n ASN 10 Ca -0.03 -1.11 -0.59 0.00 -0.11 0.00 0.00 54.58 52.73 2dsm n ASN 10 Cb 0.54 -1.00 -0.08 0.00 1.24 0.00 0.00 39.78 40.49 2dsm n ASN 10 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 2dsm n TRP 11 N -5.03 1.88 -2.38 1.20 7.02 -1.26 -4.84 117.44 114.03 2dsm n TRP 11 Ca 0.15 0.69 -0.42 0.00 -1.02 0.00 0.00 57.50 56.90 2dsm n TRP 11 Cb 0.59 -2.39 0.00 0.00 -2.42 0.00 0.00 31.31 27.10 2dsm n TRP 11 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2dsm n HIS 12 N 4.65 2.75 0.16 -5.99 8.25 -1.26 -4.77 115.22 119.01 2dsm n HIS 12 Ca 0.26 -2.75 -0.07 0.00 -0.26 0.00 0.00 57.72 54.91 2dsm n HIS 12 Cb 0.10 -1.80 -0.03 0.00 1.12 0.00 0.00 29.99 29.37 2dsm n HIS 12 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2dsm h ASP 13 N 5.45 -0.36 -0.63 0.41 3.58 -2.03 -3.45 116.42 119.39 2dsm h ASP 13 Ca 0.42 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.96 2dsm h ASP 13 Cb 0.56 0.09 -0.19 0.00 1.72 0.00 0.00 39.33 41.51 2dsm h ASP 13 CO 1.55 -0.22 -0.25 -0.75 -2.88 0.00 0.00 179.24 176.69 2dsm s LYS 14 N -3.57 0.44 0.00 0.28 2.20 -1.26 -5.09 119.74 112.74 2dsm s LYS 14 Ca -0.06 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 2dsm s LYS 14 Cb 0.01 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 2dsm s LYS 14 CO 0.19 -0.71 0.00 1.28 -0.36 0.00 0.00 175.35 175.75 2dsm n LEU 15 N 4.63 1.68 -1.01 5.43 4.77 -1.26 -5.10 117.00 126.15 2dsm n LEU 15 Ca 0.08 0.04 0.09 0.00 -0.03 0.00 0.00 56.01 56.19 2dsm n LEU 15 Cb 0.58 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 2dsm n LEU 15 CO -0.08 -0.06 -0.42 0.41 -1.33 0.00 0.00 177.39 175.91 2dsm n THR 16 N -1.03 -0.96 -2.55 -5.08 -1.04 -1.26 -4.61 114.28 97.75 2dsm n THR 16 Ca 0.00 0.74 -0.41 0.00 -2.04 0.00 0.00 64.05 62.34 2dsm n THR 16 Cb 0.00 -1.14 -0.03 0.00 -1.82 0.00 0.00 70.33 67.34 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 -4.15 3.45 -0.15 -2.82 8.01 -1.26 -4.80 118.70 116.98 2dsm s GLU 17 Ca 0.00 -0.81 -0.11 0.00 0.01 0.00 0.00 54.97 54.06 2dsm s GLU 17 Cb 0.00 -4.96 -0.06 0.00 -4.31 0.00 0.00 34.13 24.80 2dsm s GLU 17 CO 0.00 -2.20 -0.10 1.15 0.01 0.00 0.00 175.26 174.11 2dsm h THR 18 N 6.55 0.16 -0.92 3.63 2.02 -2.02 -3.42 112.91 118.91 2dsm h THR 18 Ca 0.04 -1.20 -0.70 0.00 0.77 0.00 0.00 66.41 65.31 2dsm h THR 18 Cb 1.02 0.38 -0.09 0.00 -1.74 0.00 0.00 68.15 67.72 2dsm h THR 18 CO 1.38 0.05 2.28 0.47 0.37 0.00 0.00 175.52 180.07 2dsm n ASP 19 N -4.59 4.73 -4.05 4.18 9.92 -1.26 -4.86 116.55 120.63 2dsm n ASP 19 Ca -0.11 -2.93 -0.33 0.00 -0.53 0.00 0.00 54.79 50.89 2dsm n ASP 19 Cb 0.33 -1.67 -0.13 0.00 -0.64 0.00 0.00 41.12 39.00 2dsm n ASP 19 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2dsm s VAL 20 N 3.14 2.79 0.25 2.53 1.01 -1.26 -4.94 120.40 123.91 2dsm s VAL 20 Ca 0.49 -2.49 0.08 0.00 0.00 0.00 0.00 61.98 60.05 2dsm s VAL 20 Cb 0.06 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2dsm s VAL 20 CO 0.02 -0.69 0.12 0.00 0.00 0.00 0.00 175.10 174.55 2dsm s GLN 21 N 0.67 2.71 0.13 2.72 -2.07 -1.26 -5.04 119.66 117.52 2dsm s GLN 21 Ca 0.12 -1.15 0.05 0.00 -1.82 0.00 0.00 55.36 52.56 2dsm s GLN 21 Cb -0.21 -2.44 -0.04 0.00 -1.09 0.00 0.00 33.01 29.23 2dsm s GLN 21 CO -0.05 0.40 -0.12 0.42 -1.32 0.00 0.00 175.29 174.62 2dsm s ILE 22 N -2.14 1.23 0.00 3.63 1.01 -1.26 -1.09 121.20 122.58 2dsm s ILE 22 Ca 0.32 -1.82 0.00 0.00 0.00 0.00 0.00 60.65 59.15 2dsm s ILE 22 Cb -0.08 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.79 2dsm s ILE 22 CO 0.23 -0.54 0.00 -0.90 0.00 0.00 0.00 174.94 173.73 2dsm n ASP 23 N 0.29 -0.17 0.09 3.58 5.75 -1.26 -4.62 116.55 120.22 2dsm n ASP 23 Ca -0.14 -0.69 -0.06 0.00 -0.01 0.00 0.00 54.79 53.89 2dsm n ASP 23 Cb 0.58 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.70 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 -0.88 0.19 0.00 2.11 3.57 -0.89 -3.25 116.94 117.79 2dsm h PHE 24 Ca 0.00 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2dsm h PHE 24 Cb 0.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2dsm h PHE 24 CO 0.00 0.88 -0.40 1.88 -2.23 0.00 0.00 178.31 178.43 2dsm h TYR 25 N 0.08 0.00 -0.78 0.41 0.05 -1.94 -3.48 116.97 111.31 2dsm h TYR 25 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2dsm h TYR 25 Cb 1.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.15 2dsm h TYR 25 CO 0.02 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.54 2dsm n GLY 26 N 1.16 0.48 0.00 3.88 0.00 -1.23 -5.08 105.19 104.41 2dsm n GLY 26 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.39 0.00 -3.35 1.61 2.03 -1.26 -5.01 116.55 110.18 2dsm n ASP 27 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 2dsm n ASP 27 Cb 0.19 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.55 2dsm n ASP 27 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2dsm s GLU 28 N 0.48 0.02 -0.39 -0.67 2.12 -1.26 -4.91 118.70 114.08 2dsm s GLU 28 Ca 0.00 0.04 -0.09 0.00 0.36 0.00 0.00 54.97 55.28 2dsm s GLU 28 Cb 0.00 0.02 0.06 0.00 0.26 0.00 0.00 34.13 34.47 2dsm s GLU 28 CO 0.00 -0.00 0.22 0.08 -0.54 0.00 0.00 175.26 175.01 2dsm s VAL 29 N 1.63 4.20 0.34 3.70 1.01 -0.25 -4.89 120.40 126.15 2dsm s VAL 29 Ca -0.03 -1.25 -0.02 0.00 0.00 0.00 0.00 61.98 60.69 2dsm s VAL 29 Cb -0.01 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2dsm s VAL 29 CO -0.13 -0.39 0.56 0.42 0.00 0.00 0.00 175.10 175.56 2dsm s THR 30 N 1.44 5.07 -2.00 3.92 -4.23 -1.26 -3.98 115.64 114.61 2dsm s THR 30 Ca 0.02 -0.25 0.04 0.00 -1.18 0.00 0.00 61.69 60.32 2dsm s THR 30 Cb -0.22 -3.82 0.12 0.00 1.34 0.00 0.00 72.50 69.92 2dsm s THR 30 CO 0.03 -0.51 0.68 -2.65 -0.54 0.00 0.00 174.62 171.63 2dsm n PRO 31 N -1.55 0.15 0.00 3.99 -0.02 -1.26 -0.55 135.00 135.76 2dsm n PRO 31 Ca -0.03 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.56 2dsm n PRO 31 Cb 0.55 -1.44 0.05 0.00 -0.02 0.00 0.00 33.50 32.65 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 -0.94 0.00 -3.84 -1.45 0.31 -1.26 -4.87 118.33 106.28 2dsm n VAL 32 Ca 0.03 -0.26 -0.36 0.00 -0.01 0.00 0.00 64.34 63.74 2dsm n VAL 32 Cb 0.01 1.17 -0.13 0.00 -0.91 0.00 0.00 33.84 33.98 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 -2.44 4.78 0.09 4.52 1.01 0.29 -5.07 116.67 119.84 2dsm s ASP 33 Ca 0.20 -0.28 -0.31 0.00 0.71 0.00 0.00 52.55 52.87 2dsm s ASP 33 Cb 0.18 -1.84 -0.08 0.00 1.01 0.00 0.00 42.92 42.19 2dsm s ASP 33 CO 0.55 -0.02 1.61 -1.81 0.21 0.00 0.00 175.17 175.71 2dsm s ASP 34 N 1.50 6.62 0.20 0.27 1.01 -1.26 -4.78 116.67 120.23 2dsm s ASP 34 Ca 0.06 2.49 -0.07 0.00 0.71 0.00 0.00 52.55 55.73 2dsm s ASP 34 Cb -0.15 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.20 2dsm s ASP 34 CO 0.01 -0.86 0.29 -0.72 0.21 0.00 0.00 175.17 174.10 2dsm s TYR 35 N 2.27 0.62 0.01 4.23 1.13 -1.26 -2.03 117.35 122.32 2dsm s TYR 35 Ca 0.72 -0.95 0.03 0.00 -1.41 0.00 0.00 57.07 55.47 2dsm s TYR 35 Cb -0.40 -0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.30 2dsm s TYR 35 CO 0.32 -0.77 -0.11 0.08 -2.51 0.00 0.00 175.55 172.56 2dsm s VAL 36 N -4.04 0.83 -0.23 -3.49 1.01 -0.46 -4.90 120.40 109.13 2dsm s VAL 36 Ca 0.25 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 2dsm s VAL 36 Cb 0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 2dsm s VAL 36 CO 0.06 0.10 0.06 -0.63 0.00 0.00 0.00 175.10 174.69 2dsm s ILE 37 N -0.51 4.32 -0.98 2.22 1.01 -1.26 -1.55 121.20 124.45 2dsm s ILE 37 Ca 0.02 -0.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.34 2dsm s ILE 37 Cb -0.05 -3.00 0.19 0.00 0.01 0.00 0.00 42.46 39.60 2dsm s ILE 37 CO 0.00 0.37 1.08 -0.62 0.00 0.00 0.00 174.94 175.77 2dsm s ASP 38 N 1.36 6.85 0.00 3.58 -1.08 0.14 -4.63 116.67 122.89 2dsm s ASP 38 Ca 0.05 -2.63 0.00 0.00 -0.52 0.00 0.00 52.55 49.45 2dsm s ASP 38 Cb -0.15 -2.32 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 2dsm s ASP 38 CO 0.03 -0.75 0.00 0.61 0.52 0.00 0.00 175.17 175.58 2dsm n GLY 39 N 4.39 1.04 0.00 2.66 0.00 -1.26 -2.80 105.19 109.23 2dsm n GLY 39 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 3.80 -0.02 0.00 -1.26 -4.52 105.19 103.19 2dsm n GLY 40 Ca 0.00 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.32 4.43 -0.13 1.61 2.02 -1.12 -5.03 118.70 120.15 2dsm s GLU 41 Ca 0.00 1.17 -0.06 0.00 0.02 0.00 0.00 54.97 56.10 2dsm s GLU 41 Cb 0.00 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 2dsm s GLU 41 CO 0.00 0.25 0.09 0.42 0.02 0.00 0.00 175.26 176.03 2dsm s ILE 42 N -1.71 5.04 -0.03 -1.63 1.01 -1.26 -0.68 121.20 121.94 2dsm s ILE 42 Ca 0.51 0.04 0.00 0.00 0.00 0.00 0.00 60.65 61.20 2dsm s ILE 42 Cb -0.16 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.13 2dsm s ILE 42 CO 0.21 0.56 0.01 -0.63 0.00 0.00 0.00 174.94 175.10 2dsm s ILE 43 N -0.56 0.11 0.66 2.92 1.09 -0.59 -0.09 121.20 124.73 2dsm s ILE 43 Ca 0.11 0.13 -0.18 0.00 -1.10 0.00 0.00 60.65 59.62 2dsm s ILE 43 Cb -0.12 -0.22 -0.01 0.00 -1.06 0.00 0.00 42.46 41.06 2dsm s ILE 43 CO 0.02 0.13 1.23 0.18 -0.10 0.00 0.00 174.94 176.40 2dsm n LEU 44 N 4.19 5.51 0.00 2.97 4.77 -1.26 -1.35 117.00 131.82 2dsm n LEU 44 Ca -0.26 0.80 0.07 0.00 -0.03 0.00 0.00 56.01 56.59 2dsm n LEU 44 Cb 0.50 -1.52 0.34 0.00 -2.33 0.00 0.00 43.42 40.41 2dsm n LEU 44 CO 0.22 -1.22 0.68 0.54 -1.33 0.00 0.00 177.39 176.28 2dsm n ARG 45 N -1.88 0.18 0.22 3.23 5.12 -0.86 -1.82 116.66 120.86 2dsm n ARG 45 Ca 0.15 0.16 -0.14 0.00 -1.93 0.00 0.00 57.85 56.10 2dsm n ARG 45 Cb 0.48 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.20 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 -0.54 -0.01 5.56 4.22 -1.90 -3.32 114.58 118.58 2dsm h GLU 46 Ca 0.00 0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.47 2dsm h GLU 46 Cb 0.13 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2dsm h GLU 46 CO 0.00 -0.24 -0.25 -1.71 -2.18 0.00 0.00 179.01 174.63 2dsm n ASN 47 N -5.22 2.06 -0.03 1.04 2.85 -1.20 -4.78 115.26 109.97 2dsm n ASN 47 Ca -0.10 -3.52 -0.09 0.00 -0.11 0.00 0.00 54.58 50.76 2dsm n ASN 47 Cb 0.29 -0.49 -0.03 0.00 1.24 0.00 0.00 39.78 40.79 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 0.56 -0.21 -1.86 1.20 5.85 -1.46 -2.70 115.31 116.68 2dsm h LEU 48 Ca 0.01 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2dsm h LEU 48 Cb 1.03 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 2dsm h LEU 48 CO 0.01 -0.08 -0.11 -0.33 -0.34 0.00 0.00 178.44 177.59 2dsm h GLU 49 N -0.02 0.00 -0.05 1.25 5.08 -1.86 0.55 114.58 119.53 2dsm h GLU 49 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2dsm h GLU 49 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2dsm h GLU 49 CO -0.20 0.11 0.02 -0.09 -1.00 0.00 0.00 179.01 177.85 2dsm h ARG 50 N 0.00 0.08 0.00 2.33 9.65 -1.86 -1.98 114.38 122.60 2dsm h ARG 50 Ca -0.00 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.78 2dsm h ARG 50 Cb 0.22 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 2dsm h ARG 50 CO 0.01 0.27 -0.36 -0.92 2.80 0.00 0.00 179.97 181.78 2dsm h TYR 51 N -0.12 0.00 0.00 2.20 3.20 -1.23 -1.13 116.97 119.90 2dsm h TYR 51 Ca 0.02 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 2dsm h TYR 51 Cb 0.22 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2dsm h TYR 51 CO -0.00 0.36 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.49 2dsm h LEU 52 N 0.00 0.00 0.00 2.82 3.38 -0.84 0.49 115.31 121.16 2dsm h LEU 52 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dsm h LEU 52 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2dsm h LEU 52 CO 0.05 0.32 -0.59 -0.09 0.09 0.00 0.00 178.44 178.22 2dsm h ARG 53 N 0.00 0.00 0.02 1.13 2.43 -0.80 -2.84 114.38 114.31 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 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2dsm h ARG 53 CO 0.04 0.00 -0.01 1.49 -1.51 0.00 0.00 179.97 179.98 2dsm h GLU 54 N 0.00 -0.02 0.00 0.20 4.57 -0.37 -3.45 114.58 115.51 2dsm h GLU 54 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2dsm h GLU 54 Cb 0.98 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 2dsm h GLU 54 CO 0.00 0.55 -0.19 0.94 -1.18 0.00 0.00 179.01 179.13 2dsm n GLN 55 N -4.71 0.10 -3.64 1.92 7.27 0.17 -4.96 117.38 113.54 2dsm n GLN 55 Ca -0.06 0.04 -0.22 0.00 0.07 0.00 0.00 57.00 56.83 2dsm n GLN 55 Cb 0.28 -0.62 -0.06 0.00 2.41 0.00 0.00 30.24 32.25 2dsm n GLN 55 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2dsm n LEU 56 N -2.92 -0.61 -0.00 1.69 0.00 -1.07 -4.80 117.00 109.29 2dsm n LEU 56 Ca -0.03 -0.83 0.01 0.00 0.00 0.00 0.00 56.01 55.16 2dsm n LEU 56 Cb 0.10 -1.04 -0.01 0.00 0.00 0.00 0.00 43.42 42.47 2dsm n LEU 56 CO 0.04 0.25 -0.42 0.61 0.00 0.00 0.00 177.39 177.87 2dsm n GLY 57 N -1.76 0.11 7.00 -3.96 0.00 -1.26 -5.10 105.19 100.22 2dsm n GLY 57 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.45 -0.10 -4.02 1.61 3.72 -1.26 -4.01 117.46 111.95 2dsm n PHE 58 Ca -0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.08 2dsm n PHE 58 Cb 0.03 0.08 -0.15 0.00 -0.94 0.00 0.00 39.48 38.50 2dsm n PHE 58 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2dsm s GLU 59 N 0.00 1.67 -0.24 -1.08 2.02 -1.26 -4.71 118.70 115.09 2dsm s GLU 59 Ca 0.00 -1.76 -0.25 0.00 0.02 0.00 0.00 54.97 52.98 2dsm s GLU 59 Cb 0.00 -3.16 -0.00 0.00 0.10 0.00 0.00 34.13 31.07 2dsm s GLU 59 CO 0.00 -0.87 0.86 -0.06 0.02 0.00 0.00 175.26 175.21 2dsm s PHE 60 N 0.95 3.31 -0.34 1.61 0.08 -1.26 -5.02 117.98 117.32 2dsm s PHE 60 Ca 0.07 1.17 0.01 0.00 0.12 0.00 0.00 56.93 58.30 2dsm s PHE 60 Cb -0.19 -3.09 0.09 0.00 -0.57 0.00 0.00 43.02 39.26 2dsm s PHE 60 CO -0.07 -0.42 0.06 0.15 -0.10 0.00 0.00 175.22 174.84 2dsm s LYS 61 N 2.90 1.83 0.64 0.44 -0.14 -1.26 -5.10 119.74 119.06 2dsm s LYS 61 Ca 0.36 -1.72 -0.11 0.00 -1.36 0.00 0.00 55.97 53.14 2dsm s LYS 61 Cb -0.15 -3.26 -0.03 0.00 -1.68 0.00 0.00 37.83 32.71 2dsm s LYS 61 CO 0.07 -0.89 1.04 -0.80 -0.76 0.00 0.00 175.35 174.02 2dsm s ASN 62 N 1.21 6.03 0.00 2.83 0.01 -1.26 -4.92 114.94 118.84 2dsm s ASN 62 Ca 0.06 1.41 0.00 0.00 -0.71 0.00 0.00 52.86 53.62 2dsm s ASN 62 Cb -0.20 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 39.05 2dsm s ASN 62 CO -0.06 -1.00 0.84 0.00 -1.51 0.00 0.00 177.10 175.37 2dsm n ALA 63 N -2.83 2.42 0.00 0.60 0.00 -1.26 -4.75 120.51 114.69 2dsm n ALA 63 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2dsm n ALA 63 Cb 0.54 -1.09 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 0.92 0.00 -1.55 0.00 0.00 -1.26 -4.88 117.38 110.61 2dsm n GLN 64 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.00 56.62 2dsm n GLN 64 Cb 0.33 -0.25 -0.04 0.00 0.00 0.00 0.00 30.24 30.29 2dsm n GLN 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2dsm n LEU 65 N 0.00 2.40 -0.26 1.69 7.94 -1.26 -4.80 117.00 122.70 2dsm n LEU 65 Ca 0.00 -0.29 0.04 0.00 -1.11 0.00 0.00 56.01 54.65 2dsm n LEU 65 Cb 0.00 -1.53 0.27 0.00 0.53 0.00 0.00 43.42 42.68 2dsm n LEU 65 CO 0.00 -1.32 1.24 -0.08 -1.11 0.00 0.00 177.39 176.12 2dsm h GLU 66 N 18.03 0.94 -0.99 1.96 4.22 -1.99 -3.46 114.58 133.29 2dsm h GLU 66 Ca -0.27 -0.06 -0.39 0.00 0.08 0.00 0.00 59.36 58.73 2dsm h GLU 66 Cb 1.27 -0.21 -0.15 0.00 0.50 0.00 0.00 28.75 30.16 2dsm h GLU 66 CO 1.12 0.62 -0.36 1.58 -2.18 0.00 0.00 179.01 179.80 2dsm n HIS 67 N -4.48 -0.04 -4.01 0.92 -0.00 -1.26 -4.94 115.22 101.41 2dsm n HIS 67 Ca 0.12 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.50 2dsm n HIS 67 Cb 0.18 -3.23 -0.15 0.00 -0.00 0.00 0.00 29.99 26.80 2dsm n HIS 67 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2dsm s HIS 68 N -2.71 3.07 -0.04 1.57 4.02 -1.26 -4.99 115.29 114.94 2dsm s HIS 68 Ca 0.00 -1.75 -0.02 0.00 1.02 0.00 0.00 55.06 54.32 2dsm s HIS 68 Cb 0.00 -2.01 0.03 0.00 -1.02 0.00 0.00 32.58 29.58 2dsm s HIS 68 CO 0.00 -0.78 0.08 -1.01 1.02 0.00 0.00 174.74 174.05 2dsm s HIS 69 N 1.27 -0.03 0.00 1.40 3.76 -1.26 -4.96 115.29 115.47 2dsm s HIS 69 Ca -0.01 0.30 0.00 0.00 -0.15 0.00 0.00 55.06 55.20 2dsm s HIS 69 Cb -0.17 -0.26 0.00 0.00 1.11 0.00 0.00 32.58 33.26 2dsm s HIS 69 CO -0.06 -0.15 0.00 0.72 -0.85 0.00 0.00 174.74 174.40 2dsm n HIS 70 N 4.60 0.00 0.00 1.40 8.25 -1.26 -3.85 115.22 124.36 2dsm n HIS 70 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2dsm n HIS 70 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 2dsm n HIS 70 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2dsm n HIS 71 N 0.00 -0.70 -0.16 4.41 -0.00 -1.26 -5.28 115.22 112.23 2dsm n HIS 71 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2dsm n HIS 71 Cb 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 29.99 30.36 2dsm n HIS 71 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06