#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfk s GLN 2 N 0.00 3.70 0.18 2.12 0.00 -1.26 -4.75 119.66 119.65 2dfk s GLN 2 Ca 0.00 1.65 0.10 0.00 -0.00 0.00 0.00 55.36 57.11 2dfk s GLN 2 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 33.01 30.69 2dfk s GLN 2 CO 0.00 -0.57 -0.17 0.95 0.00 0.00 0.00 175.29 175.50 2dfk s THR 3 N -1.67 2.78 -0.19 3.63 -4.23 -1.26 -1.52 115.64 113.18 2dfk s THR 3 Ca 0.66 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 2dfk s THR 3 Cb -0.25 -2.35 0.04 0.00 1.34 0.00 0.00 72.50 71.28 2dfk s THR 3 CO 0.30 -0.10 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.55 2dfk s ILE 4 N -1.66 1.57 -0.25 2.99 1.01 -0.16 -4.94 121.20 119.76 2dfk s ILE 4 Ca 0.23 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.75 2dfk s ILE 4 Cb -0.08 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 2dfk s ILE 4 CO 0.12 0.17 0.46 -0.75 0.00 0.00 0.00 174.94 174.94 2dfk s LYS 5 N 1.43 4.08 -0.19 2.79 2.20 -1.26 -0.31 119.74 128.48 2dfk s LYS 5 Ca -0.01 0.23 0.01 0.00 -0.36 0.00 0.00 55.97 55.85 2dfk s LYS 5 Cb -0.16 -3.63 0.02 0.00 -1.51 0.00 0.00 37.83 32.56 2dfk s LYS 5 CO -0.08 -0.26 -0.19 0.00 -0.36 0.00 0.00 175.35 174.46 2dfk s VAL 7 N 1.27 3.26 -0.30 0.00 1.01 -0.90 -1.60 120.40 123.14 2dfk s VAL 7 Ca 0.03 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 2dfk s VAL 7 Cb -0.14 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2dfk s VAL 7 CO -0.12 0.51 0.19 -0.69 0.00 0.00 0.00 175.10 174.99 2dfk s VAL 8 N 0.40 5.05 0.24 2.92 1.01 -0.78 -1.10 120.40 128.14 2dfk s VAL 8 Ca -0.09 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 61.85 2dfk s VAL 8 Cb -0.15 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2dfk s VAL 8 CO 0.05 0.14 -0.10 0.68 0.00 0.00 0.00 175.10 175.86 2dfk s VAL 9 N 1.70 1.68 0.00 2.92 -7.23 0.16 -3.34 120.40 116.29 2dfk s VAL 9 Ca 0.06 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 2dfk s VAL 9 Cb -0.17 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.55 2dfk s VAL 9 CO 0.09 -0.46 0.00 0.61 -0.31 0.00 0.00 175.10 175.03 2dfk n GLY 10 N -0.47 0.88 3.72 2.32 0.00 -1.26 -0.58 105.19 109.80 2dfk n GLY 10 Ca -0.07 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 2dfk n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dfk s ASP 11 N 0.00 3.73 0.58 1.61 -0.00 -1.26 -4.89 116.67 116.44 2dfk s ASP 11 Ca 0.00 2.04 -0.19 0.00 -0.00 0.00 0.00 52.55 54.40 2dfk s ASP 11 Cb 0.00 -2.55 -0.04 0.00 -0.00 0.00 0.00 42.92 40.33 2dfk s ASP 11 CO 0.00 -2.56 1.20 -0.83 -0.00 0.00 0.00 175.17 172.98 2dfk s GLY 12 N -2.94 2.73 -1.61 0.21 0.00 -1.26 -3.49 107.32 100.97 2dfk s GLY 12 Ca 0.65 0.99 0.00 0.00 0.00 0.00 0.00 44.72 46.36 2dfk s GLY 12 CO 0.56 1.38 0.00 0.00 0.00 0.00 0.00 173.10 175.04 2dfk n ALA 13 N -1.53 -0.38 0.44 3.20 0.00 -1.26 -4.86 120.51 116.11 2dfk n ALA 13 Ca 0.13 0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.89 2dfk n ALA 13 Cb 0.50 -1.82 0.20 0.00 0.00 0.00 0.00 19.45 18.33 2dfk n ALA 13 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2dfk n VAL 14 N -3.30 0.42 -0.55 0.00 0.24 -1.23 -4.97 118.33 108.95 2dfk n VAL 14 Ca -0.18 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.41 2dfk n VAL 14 Cb 0.60 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 2dfk n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dfk n GLY 15 N 1.49 0.72 0.26 7.63 0.00 -1.26 -4.55 105.19 109.47 2dfk n GLY 15 Ca 0.19 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.64 2dfk n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dfk h LYS 16 N 0.00 -0.02 0.06 1.61 1.57 -1.93 -1.45 116.57 116.41 2dfk h LYS 16 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 2dfk h LYS 16 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 2dfk h LYS 16 CO 0.00 -0.01 -1.07 0.00 -0.57 0.00 0.00 179.45 177.79 2dfk h THR 17 N -0.02 1.48 -0.93 -0.16 1.03 -1.93 -2.86 112.91 109.51 2dfk h THR 17 Ca 0.30 -2.81 0.03 0.00 -0.01 0.00 0.00 66.41 63.92 2dfk h THR 17 Cb 0.49 2.69 -0.05 0.00 -1.07 0.00 0.00 68.15 70.21 2dfk h THR 17 CO -0.67 0.82 0.61 0.00 -0.01 0.00 0.00 175.52 176.27 2dfk h LEU 19 N 1.19 0.43 -0.27 0.00 6.46 -1.17 -0.64 115.31 121.30 2dfk h LEU 19 Ca 0.36 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 58.02 2dfk h LEU 19 Cb -0.03 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 39.81 2dfk h LEU 19 CO -0.11 0.31 -0.25 -0.07 -0.62 0.00 0.00 178.44 177.70 2dfk h LEU 20 N 0.53 0.69 -0.53 2.25 3.38 -1.16 -0.42 115.31 120.04 2dfk h LEU 20 Ca 0.17 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2dfk h LEU 20 Cb -0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2dfk h LEU 20 CO -0.07 1.01 0.28 0.40 0.09 0.00 0.00 178.44 180.16 2dfk h ILE 21 N 0.38 1.18 -0.00 1.22 2.04 -0.86 -2.34 117.51 119.14 2dfk h ILE 21 Ca 0.05 -0.48 -0.16 0.00 1.00 0.00 0.00 64.86 65.27 2dfk h ILE 21 Cb 0.81 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2dfk h ILE 21 CO 0.06 0.20 -0.74 -1.28 0.00 0.00 0.00 178.15 176.40 2dfk h SER 22 N 0.71 0.03 -0.23 1.72 0.87 -0.93 -1.98 113.55 113.75 2dfk h SER 22 Ca 0.19 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.58 2dfk h SER 22 Cb 0.06 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2dfk h SER 22 CO -0.03 0.76 -0.35 0.22 -0.53 0.00 0.00 176.83 176.90 2dfk h TYR 23 N 0.02 0.89 -0.01 2.24 3.20 -0.85 -3.33 116.97 119.14 2dfk h TYR 23 Ca -0.01 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.61 2dfk h TYR 23 Cb 1.30 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2dfk h TYR 23 CO 0.00 1.00 -0.69 0.25 -1.64 0.00 0.00 178.16 177.08 2dfk n THR 24 N -4.06 0.00 -4.56 1.81 -2.24 -0.90 -4.96 114.28 99.38 2dfk n THR 24 Ca -0.01 -0.10 -0.26 0.00 -2.27 0.00 0.00 64.05 61.41 2dfk n THR 24 Cb 0.51 0.92 -0.11 0.00 -2.10 0.00 0.00 70.33 69.55 2dfk n THR 24 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2dfk s THR 25 N -2.78 1.67 -0.59 4.28 -4.23 -0.75 -5.07 115.64 108.16 2dfk s THR 25 Ca 0.13 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.71 2dfk s THR 25 Cb 0.17 -2.90 0.27 0.00 1.34 0.00 0.00 72.50 71.38 2dfk s THR 25 CO 0.72 0.00 0.75 -3.20 -0.54 0.00 0.00 174.62 172.35 2dfk n ASN 26 N -0.87 3.30 -4.82 3.99 5.15 -1.26 -4.83 115.26 115.91 2dfk n ASN 26 Ca -0.04 -3.37 -0.34 0.00 -0.60 0.00 0.00 54.58 50.22 2dfk n ASN 26 Cb 0.67 -0.65 -0.06 0.00 -0.53 0.00 0.00 39.78 39.21 2dfk n ASN 26 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2dfk s LYS 27 N -2.47 4.24 0.49 1.20 1.02 -1.26 -5.04 119.74 117.92 2dfk s LYS 27 Ca 0.41 0.98 -0.23 0.00 0.02 0.00 0.00 55.97 57.14 2dfk s LYS 27 Cb 0.18 -2.54 -0.07 0.00 -0.52 0.00 0.00 37.83 34.88 2dfk s LYS 27 CO -0.05 0.19 1.34 -0.06 -0.92 0.00 0.00 175.35 175.85 2dfk s PHE 28 N -1.86 2.49 0.49 3.18 0.40 -1.26 -4.94 117.98 116.48 2dfk s PHE 28 Ca 0.53 1.37 0.24 0.00 -0.60 0.00 0.00 56.93 58.47 2dfk s PHE 28 Cb -0.13 -3.76 1.46 0.00 0.51 0.00 0.00 43.02 41.10 2dfk s PHE 28 CO 0.18 -2.61 2.12 -1.35 0.70 0.00 0.00 175.22 174.26 2dfk h PRO 29 N 1.94 0.00 0.00 0.24 0.11 -1.96 -2.37 132.00 129.97 2dfk h PRO 29 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2dfk h PRO 29 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2dfk h PRO 29 CO 0.59 0.09 0.00 -1.13 -0.21 0.00 0.00 178.00 177.34 2dfk n SER 30 N -3.92 0.26 -4.83 -2.05 3.41 -1.26 -4.86 113.62 100.36 2dfk n SER 30 Ca -0.02 0.56 -0.32 0.00 -0.26 0.00 0.00 58.87 58.83 2dfk n SER 30 Cb 0.18 -0.61 0.01 0.00 -0.26 0.00 0.00 64.21 63.53 2dfk n SER 30 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2dfk s GLU 31 N -3.11 3.40 0.32 4.33 2.02 -0.89 -4.97 118.70 119.79 2dfk s GLU 31 Ca 0.07 0.95 -0.29 0.00 0.02 0.00 0.00 54.97 55.72 2dfk s GLU 31 Cb 0.10 -2.05 -0.10 0.00 0.10 0.00 0.00 34.13 32.17 2dfk s GLU 31 CO 0.34 -0.73 1.39 -0.47 0.02 0.00 0.00 175.26 175.81 2dfk s TYR 32 N -2.87 2.93 -0.32 1.61 5.04 -1.26 -5.00 117.35 117.48 2dfk s TYR 32 Ca 0.59 1.23 -0.06 0.00 -2.44 0.00 0.00 57.07 56.38 2dfk s TYR 32 Cb -0.13 -3.81 0.03 0.00 0.35 0.00 0.00 41.96 38.40 2dfk s TYR 32 CO 0.46 -2.39 0.09 0.08 -1.34 0.00 0.00 175.55 172.45 2dfk s VAL 33 N -0.77 3.80 0.63 3.14 1.01 -1.26 -5.08 120.40 121.87 2dfk s VAL 33 Ca 0.53 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 2dfk s VAL 33 Cb -0.42 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 2dfk s VAL 33 CO 0.52 -0.07 0.68 -2.65 0.00 0.00 0.00 175.10 173.59 2dfk n PRO 34 N 4.82 0.55 0.02 2.72 -0.02 -1.26 -4.89 135.00 136.95 2dfk n PRO 34 Ca -0.13 0.23 0.13 0.00 -2.02 0.00 0.00 63.50 61.71 2dfk n PRO 34 Cb 0.46 -1.91 0.47 0.00 -0.02 0.00 0.00 33.50 32.50 2dfk n PRO 34 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2dfk n THR 35 N -1.97 0.14 -4.59 3.45 5.66 -1.26 -4.84 114.28 110.87 2dfk n THR 35 Ca 0.12 -0.08 -0.22 0.00 -3.05 0.00 0.00 64.05 60.83 2dfk n THR 35 Cb 0.48 -0.33 -0.15 0.00 -1.55 0.00 0.00 70.33 68.78 2dfk n THR 35 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2dfk s VAL 36 N -3.03 1.04 -0.17 1.08 1.01 -1.26 -4.96 120.40 114.11 2dfk s VAL 36 Ca 0.12 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2dfk s VAL 36 Cb 0.17 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.70 2dfk s VAL 36 CO 0.59 0.30 -0.13 0.12 0.00 0.00 0.00 175.10 175.99 2dfk s PHE 37 N -0.17 2.26 0.34 5.22 5.36 -1.26 -5.07 117.98 124.66 2dfk s PHE 37 Ca 0.02 -1.36 -0.26 0.00 -0.96 0.00 0.00 56.93 54.38 2dfk s PHE 37 Cb -0.07 -1.61 -0.10 0.00 -0.34 0.00 0.00 43.02 40.91 2dfk s PHE 37 CO -0.00 -0.70 0.99 0.34 -1.46 0.00 0.00 175.22 174.39 2dfk s ASP 38 N 1.45 7.17 0.06 6.13 -1.08 -1.26 -4.67 116.67 124.47 2dfk s ASP 38 Ca 0.03 1.92 -0.37 0.00 -0.52 0.00 0.00 52.55 53.61 2dfk s ASP 38 Cb -0.14 -2.58 -0.18 0.00 -1.46 0.00 0.00 42.92 38.55 2dfk s ASP 38 CO -0.10 -0.19 1.16 0.59 0.52 0.00 0.00 175.17 177.15 2dfk n ASN 39 N 0.42 0.74 -4.08 -0.34 3.02 -1.26 -4.95 115.26 108.81 2dfk n ASN 39 Ca 0.03 1.14 -0.23 0.00 -0.03 0.00 0.00 54.58 55.49 2dfk n ASN 39 Cb 0.50 -1.06 -0.16 0.00 -0.61 0.00 0.00 39.78 38.45 2dfk n ASN 39 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2dfk s TYR 40 N 0.13 1.33 -0.06 3.10 5.04 -0.84 -4.99 117.35 121.05 2dfk s TYR 40 Ca 0.85 -0.34 0.03 0.00 -2.44 0.00 0.00 57.07 55.18 2dfk s TYR 40 Cb -1.08 -0.90 -0.02 0.00 0.35 0.00 0.00 41.96 40.30 2dfk s TYR 40 CO 0.52 -0.11 -0.14 0.00 -1.34 0.00 0.00 175.55 174.48 2dfk s ALA 41 N 0.01 2.65 -0.02 3.97 0.00 -1.26 -0.63 121.76 126.48 2dfk s ALA 41 Ca -0.01 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 2dfk s ALA 41 Cb -0.09 -1.00 0.01 0.00 0.00 0.00 0.00 23.12 22.05 2dfk s ALA 41 CO 0.01 0.51 0.23 0.54 0.00 0.00 0.00 175.76 177.04 2dfk s VAL 42 N -0.55 0.06 -0.00 0.00 0.11 -0.26 -4.96 120.40 114.79 2dfk s VAL 42 Ca 0.08 -0.47 -0.30 0.00 -2.93 0.00 0.00 61.98 58.36 2dfk s VAL 42 Cb -0.11 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 2dfk s VAL 42 CO 0.01 -0.26 0.97 -0.89 -3.33 0.00 0.00 175.10 171.60 2dfk s THR 43 N -1.06 4.87 0.08 5.04 2.01 -1.26 0.09 115.64 125.41 2dfk s THR 43 Ca -0.11 2.03 0.08 0.00 0.31 0.00 0.00 61.69 64.00 2dfk s THR 43 Cb -0.06 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 2dfk s THR 43 CO 0.02 0.17 -0.21 0.68 -0.69 0.00 0.00 174.62 174.59 2dfk s VAL 44 N 0.98 1.69 -0.17 3.82 -7.23 0.16 -4.94 120.40 114.72 2dfk s VAL 44 Ca 0.51 -1.42 -0.05 0.00 -1.81 0.00 0.00 61.98 59.21 2dfk s VAL 44 Cb -0.21 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.18 2dfk s VAL 44 CO 0.28 0.04 0.01 -0.04 -0.31 0.00 0.00 175.10 175.07 2dfk s MET 45 N -1.64 3.80 -0.11 4.82 -1.94 -1.26 0.06 119.30 123.03 2dfk s MET 45 Ca 0.07 -0.44 -0.06 0.00 -1.71 0.00 0.00 55.69 53.54 2dfk s MET 45 Cb -0.10 -3.04 0.05 0.00 2.01 0.00 0.00 34.83 33.75 2dfk s MET 45 CO 0.03 0.25 0.27 -1.50 -0.01 0.00 0.00 175.02 174.07 2dfk s ILE 46 N 0.37 -0.03 -1.35 2.53 1.10 -0.48 -4.77 121.20 118.56 2dfk s ILE 46 Ca -0.01 0.12 -0.03 0.00 -0.51 0.00 0.00 60.65 60.22 2dfk s ILE 46 Cb -0.13 -0.41 0.00 0.00 0.15 0.00 0.00 42.46 42.07 2dfk s ILE 46 CO 0.02 0.05 0.43 0.61 -2.11 0.00 0.00 174.94 173.94 2dfk n GLY 47 N 4.07 -0.34 2.52 1.50 0.00 -1.26 -2.81 105.19 108.87 2dfk n GLY 47 Ca -0.24 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 2dfk n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dfk n GLY 48 N -1.34 1.33 3.16 -0.02 0.00 -1.26 -4.97 105.19 102.08 2dfk n GLY 48 Ca -0.12 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 2dfk n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dfk s GLU 49 N -3.00 1.60 0.18 1.61 0.41 -1.12 -5.12 118.70 113.25 2dfk s GLU 49 Ca 0.00 -0.63 -0.30 0.00 -0.41 0.00 0.00 54.97 53.63 2dfk s GLU 49 Cb 0.00 -1.47 -0.08 0.00 -1.78 0.00 0.00 34.13 30.80 2dfk s GLU 49 CO 0.00 0.33 1.04 -1.25 -0.49 0.00 0.00 175.26 174.88 2dfk s PRO 50 N -0.22 4.67 0.09 0.39 0.04 -1.26 -1.38 135.00 137.32 2dfk s PRO 50 Ca 0.02 1.62 0.07 0.00 0.04 0.00 0.00 61.00 62.75 2dfk s PRO 50 Cb -0.09 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 2dfk s PRO 50 CO 0.01 0.20 -0.18 0.71 0.04 0.00 0.00 177.00 177.78 2dfk s TYR 51 N -0.44 1.53 -0.23 0.56 1.51 0.11 -4.57 117.35 115.81 2dfk s TYR 51 Ca 0.47 -0.43 -0.14 0.00 -1.01 0.00 0.00 57.07 55.95 2dfk s TYR 51 Cb -0.28 -0.85 -0.04 0.00 -0.11 0.00 0.00 41.96 40.68 2dfk s TYR 51 CO 0.34 0.14 0.32 0.99 -1.11 0.00 0.00 175.55 176.22 2dfk s THR 52 N -1.20 5.24 -0.26 -0.71 2.01 -0.57 -0.66 115.64 119.49 2dfk s THR 52 Ca 0.03 0.51 -0.15 0.00 0.31 0.00 0.00 61.69 62.39 2dfk s THR 52 Cb -0.10 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2dfk s THR 52 CO 0.03 0.25 0.37 -0.22 -0.69 0.00 0.00 174.62 174.36 2dfk s LEU 53 N 1.45 4.06 -0.22 4.42 2.96 0.11 -0.99 118.68 130.48 2dfk s LEU 53 Ca 0.14 0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 54.29 2dfk s LEU 53 Cb -0.15 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 2dfk s LEU 53 CO 0.08 -0.16 0.07 -0.83 -1.32 0.00 0.00 176.35 174.19 2dfk s GLY 54 N 1.52 1.84 -0.16 7.98 0.00 0.57 -1.10 107.32 117.98 2dfk s GLY 54 Ca 0.15 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.92 2dfk s GLY 54 CO 0.09 0.30 -0.10 1.08 0.00 0.00 0.00 173.10 174.47 2dfk s LEU 55 N 1.00 2.78 -0.11 0.66 1.43 0.20 -0.36 118.68 124.28 2dfk s LEU 55 Ca 0.04 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2dfk s LEU 55 Cb -0.14 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.44 2dfk s LEU 55 CO 0.03 0.10 -0.12 -0.36 0.23 0.00 0.00 176.35 176.22 2dfk s PHE 56 N 0.77 1.76 0.48 0.29 0.40 -0.63 -1.99 117.98 119.06 2dfk s PHE 56 Ca -0.04 -0.84 -0.05 0.00 -0.60 0.00 0.00 56.93 55.40 2dfk s PHE 56 Cb -0.15 -1.33 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 2dfk s PHE 56 CO 0.01 -0.48 0.78 0.34 0.70 0.00 0.00 175.22 176.57 2dfk s ASP 57 N 1.20 6.24 -0.11 1.36 2.15 -1.26 -1.87 116.67 124.38 2dfk s ASP 57 Ca -0.03 0.89 0.14 0.00 0.43 0.00 0.00 52.55 53.98 2dfk s ASP 57 Cb -0.14 -2.21 0.28 0.00 -0.30 0.00 0.00 42.92 40.55 2dfk s ASP 57 CO -0.04 -0.58 1.14 0.35 -0.17 0.00 0.00 175.17 175.87 2dfk n THR 58 N -2.25 1.36 -1.88 1.71 -2.24 -1.21 -4.89 114.28 104.88 2dfk n THR 58 Ca 0.00 -1.90 -0.40 0.00 -2.27 0.00 0.00 64.05 59.48 2dfk n THR 58 Cb 0.55 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 2dfk n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dfk s ALA 59 N -2.05 3.42 0.00 6.98 0.00 -1.26 -1.85 121.76 127.00 2dfk s ALA 59 Ca 0.27 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2dfk s ALA 59 Cb 0.26 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2dfk s ALA 59 CO -0.02 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.14 2dfk n GLY 60 N 0.57 1.89 0.78 0.00 0.00 -1.26 -4.88 105.19 102.29 2dfk n GLY 60 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2dfk n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dfk n GLN 61 N -2.00 2.03 0.24 1.61 6.02 -0.77 -4.59 117.38 119.91 2dfk n GLN 61 Ca 0.00 -1.54 0.10 0.00 -0.01 0.00 0.00 57.00 55.55 2dfk n GLN 61 Cb 0.00 -1.45 0.57 0.00 1.02 0.00 0.00 30.24 30.38 2dfk n GLN 61 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2dfk h GLU 62 N 3.25 0.00 -0.48 -1.09 3.07 -1.90 -2.43 114.58 115.00 2dfk h GLU 62 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2dfk h GLU 62 Cb 0.71 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2dfk h GLU 62 CO 0.00 0.20 0.00 -0.25 -1.40 0.00 0.00 179.01 177.56 2dfk n ASP 63 N -3.56 3.42 -3.99 1.42 8.00 -1.26 -4.80 116.55 115.78 2dfk n ASP 63 Ca -0.01 -1.96 -0.32 0.00 0.71 0.00 0.00 54.79 53.22 2dfk n ASP 63 Cb 0.35 -0.32 -0.11 0.00 -0.02 0.00 0.00 41.12 41.02 2dfk n ASP 63 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2dfk s TYR 64 N -1.14 3.54 0.07 1.24 1.51 -0.91 -4.97 117.35 116.69 2dfk s TYR 64 Ca 0.37 -3.15 0.29 0.00 -1.01 0.00 0.00 57.07 53.57 2dfk s TYR 64 Cb 0.20 -2.93 1.10 0.00 -0.11 0.00 0.00 41.96 40.22 2dfk s TYR 64 CO 0.27 -0.67 1.89 0.38 -1.11 0.00 0.00 175.55 176.31 2dfk h ASP 65 N 6.00 0.00 0.29 2.29 2.03 -1.87 -1.78 116.42 123.38 2dfk h ASP 65 Ca 0.08 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 2dfk h ASP 65 Cb 0.82 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.32 2dfk h ASP 65 CO 0.74 0.09 -0.54 0.54 -1.03 0.00 0.00 179.24 179.05 2dfk n ARG 66 N -3.21 0.31 -0.06 4.15 5.12 -1.26 -4.19 116.66 117.52 2dfk n ARG 66 Ca 0.01 -0.21 -0.13 0.00 -1.93 0.00 0.00 57.85 55.59 2dfk n ARG 66 Cb 0.37 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 30.04 2dfk n ARG 66 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2dfk n LEU 67 N -1.16 1.24 -0.23 0.55 4.77 -0.74 -4.55 117.00 116.89 2dfk n LEU 67 Ca 0.07 0.15 0.03 0.00 -0.03 0.00 0.00 56.01 56.23 2dfk n LEU 67 Cb 0.35 -0.12 0.15 0.00 -2.33 0.00 0.00 43.42 41.47 2dfk n LEU 67 CO 0.34 0.60 0.94 0.03 -1.33 0.00 0.00 177.39 177.97 2dfk h ARG 68 N 0.01 0.29 0.00 3.23 3.08 -1.55 -1.77 114.38 117.67 2dfk h ARG 68 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2dfk h ARG 68 Cb 2.08 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.06 2dfk h ARG 68 CO 0.04 0.19 0.00 -1.35 -1.07 0.00 0.00 179.97 177.78 2dfk h PRO 69 N 0.30 0.00 0.00 0.04 0.11 -1.80 -2.42 132.00 128.22 2dfk h PRO 69 Ca 0.37 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.47 2dfk h PRO 69 Cb 0.59 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 2dfk h PRO 69 CO -0.45 0.00 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.22 2dfk h LEU 70 N 0.00 0.00 0.00 2.35 3.38 -1.60 -1.87 115.31 117.58 2dfk h LEU 70 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dfk h LEU 70 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2dfk h LEU 70 CO 0.00 0.05 -0.07 -1.20 0.09 0.00 0.00 178.44 177.32 2dfk n SER 71 N -3.48 0.46 0.11 -0.43 7.64 -0.91 -4.46 113.62 112.55 2dfk n SER 71 Ca -0.02 0.47 -0.21 0.00 1.01 0.00 0.00 58.87 60.12 2dfk n SER 71 Cb 0.18 -0.55 -0.15 0.00 -1.01 0.00 0.00 64.21 62.67 2dfk n SER 71 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2dfk h TYR 72 N 0.00 0.73 -1.96 1.43 0.99 -1.52 -3.45 116.97 113.20 2dfk h TYR 72 Ca 0.00 -0.54 -0.63 0.00 2.00 0.00 0.00 58.73 59.56 2dfk h TYR 72 Cb 0.63 -0.03 0.10 0.00 1.00 0.00 0.00 36.73 38.43 2dfk h TYR 72 CO 0.00 1.47 -0.03 -2.30 -0.00 0.00 0.00 178.16 177.30 2dfk n PRO 73 N -3.61 0.93 -0.92 4.88 -0.02 -1.26 -2.11 135.00 132.89 2dfk n PRO 73 Ca -0.15 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2dfk n PRO 73 Cb 1.07 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 2dfk n PRO 73 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2dfk n GLN 74 N 0.96 -0.19 -2.06 -0.52 3.00 -0.33 -4.96 117.38 113.29 2dfk n GLN 74 Ca 0.13 0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.75 2dfk n GLN 74 Cb 0.28 -3.21 -0.03 0.00 0.00 0.00 0.00 30.24 27.29 2dfk n GLN 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2dfk s THR 75 N -2.68 2.90 -0.09 5.09 2.01 -0.90 -4.49 115.64 117.48 2dfk s THR 75 Ca 0.00 0.68 0.21 0.00 0.31 0.00 0.00 61.69 62.89 2dfk s THR 75 Cb 0.00 -3.44 -0.31 0.00 0.01 0.00 0.00 72.50 68.76 2dfk s THR 75 CO 0.00 0.07 0.34 0.47 -0.69 0.00 0.00 174.62 174.82 2dfk n ASP 76 N 3.35 0.01 -3.65 3.53 9.92 -0.44 -0.68 116.55 128.59 2dfk n ASP 76 Ca 0.10 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.23 2dfk n ASP 76 Cb 0.41 1.67 -0.07 0.00 -0.64 0.00 0.00 41.12 42.48 2dfk n ASP 76 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2dfk s VAL 77 N -3.18 -0.00 -0.08 2.53 0.11 -1.08 -4.23 120.40 114.48 2dfk s VAL 77 Ca -0.09 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2dfk s VAL 77 Cb 0.11 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 2dfk s VAL 77 CO 0.88 0.00 -0.05 -0.36 -3.33 0.00 0.00 175.10 172.24 2dfk s PHE 78 N 0.42 3.00 -0.34 1.54 0.40 -0.91 -2.11 117.98 119.98 2dfk s PHE 78 Ca -0.01 0.02 -0.13 0.00 -0.60 0.00 0.00 56.93 56.22 2dfk s PHE 78 Cb -0.05 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 2dfk s PHE 78 CO -0.00 0.32 0.23 -0.51 0.70 0.00 0.00 175.22 175.96 2dfk s LEU 79 N -0.69 4.48 -0.47 -0.37 1.43 -0.25 -1.29 118.68 121.52 2dfk s LEU 79 Ca 0.11 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.62 2dfk s LEU 79 Cb -0.11 -2.13 0.06 0.00 0.03 0.00 0.00 46.19 44.04 2dfk s LEU 79 CO 0.02 -0.23 0.45 -0.69 0.23 0.00 0.00 176.35 176.13 2dfk s VAL 80 N 1.72 5.14 -0.12 -1.59 1.01 0.35 -0.67 120.40 126.23 2dfk s VAL 80 Ca 0.06 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 2dfk s VAL 80 Cb -0.17 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2dfk s VAL 80 CO 0.10 -0.61 0.16 0.00 0.00 0.00 0.00 175.10 174.76 2dfk s PHE 82 N -0.78 1.05 -0.01 0.00 -0.12 -0.74 -4.18 117.98 113.21 2dfk s PHE 82 Ca 0.15 -0.84 -0.23 0.00 -0.05 0.00 0.00 56.93 55.96 2dfk s PHE 82 Cb -0.12 -0.57 -0.05 0.00 -0.63 0.00 0.00 43.02 41.65 2dfk s PHE 82 CO 0.04 -0.05 0.70 0.45 -0.05 0.00 0.00 175.22 176.31 2dfk s SER 83 N -3.05 7.07 0.47 1.98 0.15 -1.26 -0.30 113.70 118.76 2dfk s SER 83 Ca 0.13 1.29 0.32 0.00 0.70 0.00 0.00 55.95 58.39 2dfk s SER 83 Cb 0.04 -2.42 1.45 0.00 -1.71 0.00 0.00 66.02 63.37 2dfk s SER 83 CO -0.02 -0.01 1.95 -0.37 1.20 0.00 0.00 173.24 175.99 2dfk h VAL 84 N 4.35 0.00 -0.56 4.45 -1.51 -1.60 -0.99 116.25 120.38 2dfk h VAL 84 Ca -0.43 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 2dfk h VAL 84 Cb 1.20 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 2dfk h VAL 84 CO 0.72 0.00 0.00 1.33 -1.23 0.00 0.00 177.57 178.39 2dfk n VAL 85 N -2.77 2.18 -3.57 7.19 0.24 -1.26 0.04 118.33 120.38 2dfk n VAL 85 Ca 0.00 -1.20 -0.29 0.00 -2.04 0.00 0.00 64.34 60.81 2dfk n VAL 85 Cb 0.21 -0.14 -0.13 0.00 -1.47 0.00 0.00 33.84 32.31 2dfk n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2dfk s SER 86 N -0.77 3.36 0.43 -1.34 0.15 -0.38 -4.91 113.70 110.24 2dfk s SER 86 Ca 0.49 -2.06 0.14 0.00 0.70 0.00 0.00 55.95 55.21 2dfk s SER 86 Cb 0.35 -0.60 1.02 0.00 -1.71 0.00 0.00 66.02 65.09 2dfk s SER 86 CO 0.18 -0.34 1.98 -0.65 1.20 0.00 0.00 173.24 175.61 2dfk h PRO 87 N 7.33 0.41 -0.13 5.44 0.11 -1.86 -1.83 132.00 141.47 2dfk h PRO 87 Ca -0.03 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.96 2dfk h PRO 87 Cb 0.97 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 2dfk h PRO 87 CO 0.37 0.27 -0.36 0.66 -0.21 0.00 0.00 178.00 178.72 2dfk h SER 88 N 0.42 0.27 0.53 -2.05 4.64 -1.94 -1.01 113.55 114.42 2dfk h SER 88 Ca 0.28 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.41 2dfk h SER 88 Cb 0.55 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2dfk h SER 88 CO -0.08 0.62 -0.41 0.77 -0.87 0.00 0.00 176.83 176.87 2dfk h SER 89 N 0.23 0.00 -0.19 4.97 4.64 -1.67 -1.59 113.55 119.94 2dfk h SER 89 Ca 0.03 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.22 2dfk h SER 89 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2dfk h SER 89 CO 0.06 0.41 -0.37 0.15 -0.87 0.00 0.00 176.83 176.20 2dfk h PHE 90 N 0.00 0.74 -0.90 4.77 -0.00 -1.05 -2.96 116.94 117.54 2dfk h PHE 90 Ca -0.00 -0.27 0.04 0.00 -0.00 0.00 0.00 57.97 57.73 2dfk h PHE 90 Cb 0.78 -0.14 -0.05 0.00 -0.00 0.00 0.00 35.95 36.54 2dfk h PHE 90 CO 0.00 1.02 0.58 1.49 -0.00 0.00 0.00 178.31 181.40 2dfk h GLU 91 N 0.25 1.10 0.00 1.11 4.57 -1.00 -1.95 114.58 118.66 2dfk h GLU 91 Ca 0.01 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 2dfk h GLU 91 Cb 0.97 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 29.31 2dfk h GLU 91 CO 0.08 0.73 -0.12 -0.91 -1.18 0.00 0.00 179.01 177.61 2dfk h ASN 92 N 1.13 0.00 -0.67 1.04 -0.26 -1.26 -1.13 115.58 114.44 2dfk h ASN 92 Ca 0.36 0.00 0.11 0.00 -0.56 0.00 0.00 56.30 56.21 2dfk h ASN 92 Cb 0.01 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 37.19 2dfk h ASN 92 CO -0.12 0.12 0.26 0.58 -1.06 0.00 0.00 177.43 177.21 2dfk h VAL 93 N 0.00 0.73 0.21 2.81 2.07 -1.18 0.03 116.25 120.92 2dfk h VAL 93 Ca -0.00 -0.15 -0.33 0.00 0.82 0.00 0.00 66.70 67.04 2dfk h VAL 93 Cb 0.41 0.27 0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2dfk h VAL 93 CO 0.02 0.08 -1.51 0.50 0.02 0.00 0.00 177.57 176.67 2dfk h LYS 94 N 0.43 0.44 0.00 1.57 3.64 -1.34 -1.47 116.57 119.84 2dfk h LYS 94 Ca 0.35 -0.75 -0.13 0.00 -1.27 0.00 0.00 60.65 58.85 2dfk h LYS 94 Cb 0.46 0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 2dfk h LYS 94 CO -0.34 1.35 -0.91 0.93 -2.27 0.00 0.00 179.45 178.21 2dfk h GLU 95 N 0.12 0.00 0.00 1.90 5.08 -1.12 -3.42 114.58 117.14 2dfk h GLU 95 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2dfk h GLU 95 Cb 2.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.36 2dfk h GLU 95 CO 0.23 0.42 0.00 1.17 -1.00 0.00 0.00 179.01 179.83 2dfk n LYS 96 N -3.08 0.00 -0.02 2.33 4.81 -0.08 -4.83 118.16 117.30 2dfk n LYS 96 Ca -0.03 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.28 2dfk n LYS 96 Cb 0.78 -0.22 -0.10 0.00 0.02 0.00 0.00 35.03 35.51 2dfk n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 2dfk h TRP 97 N 0.00 0.01 -0.34 5.64 4.06 -1.31 -2.23 115.95 121.78 2dfk h TRP 97 Ca 0.00 -0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 2dfk h TRP 97 Cb 0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 2dfk h TRP 97 CO 0.00 0.54 -0.05 0.28 -3.56 0.00 0.00 178.44 175.66 2dfk h VAL 98 N -0.53 1.27 -0.93 1.49 2.07 -1.52 -1.72 116.25 116.38 2dfk h VAL 98 Ca 0.00 -1.07 0.09 0.00 0.82 0.00 0.00 66.70 66.53 2dfk h VAL 98 Cb 0.54 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 2dfk h VAL 98 CO 0.00 0.35 0.60 -0.65 0.02 0.00 0.00 177.57 177.89 2dfk h PRO 99 N 0.43 0.96 -0.02 1.57 0.11 -1.79 -1.75 132.00 131.51 2dfk h PRO 99 Ca 0.09 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 2dfk h PRO 99 Cb 0.53 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 2dfk h PRO 99 CO 0.03 0.63 -0.01 1.49 -0.21 0.00 0.00 178.00 179.93 2dfk h GLU 100 N 0.99 0.04 -0.12 1.05 4.81 -0.91 -1.35 114.58 119.09 2dfk h GLU 100 Ca 0.42 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.47 2dfk h GLU 100 Cb 0.32 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2dfk h GLU 100 CO -0.18 0.42 -0.64 -0.84 -0.73 0.00 0.00 179.01 177.04 2dfk h ILE 101 N -0.35 1.35 0.00 2.32 3.07 -1.28 -2.08 117.51 120.54 2dfk h ILE 101 Ca 0.00 -1.98 -0.09 0.00 1.55 0.00 0.00 64.86 64.34 2dfk h ILE 101 Cb 0.41 1.96 -0.01 0.00 -0.27 0.00 0.00 36.82 38.91 2dfk h ILE 101 CO 0.00 0.60 -0.45 0.71 -1.05 0.00 0.00 178.15 177.96 2dfk h THR 102 N 0.32 1.24 -0.57 0.16 1.35 -1.35 0.37 112.91 114.44 2dfk h THR 102 Ca -0.01 -1.58 -0.07 0.00 -0.55 0.00 0.00 66.41 64.19 2dfk h THR 102 Cb 1.19 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 69.46 2dfk h THR 102 CO 0.11 0.44 0.07 -0.74 -0.25 0.00 0.00 175.52 175.15 2dfk h HIS 103 N 0.00 1.03 0.00 4.73 -0.00 -1.03 -3.06 115.15 116.81 2dfk h HIS 103 Ca -0.00 -0.15 -0.02 0.00 -0.00 0.00 0.00 60.37 60.19 2dfk h HIS 103 Cb 0.83 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 27.96 2dfk h HIS 103 CO 0.00 0.91 -1.09 0.72 -0.00 0.00 0.00 177.93 178.46 2dfk n HIS 104 N -4.31 0.94 -3.04 5.26 8.25 -0.80 -4.58 115.22 116.94 2dfk n HIS 104 Ca 0.02 0.28 -0.15 0.00 -0.26 0.00 0.00 57.72 57.61 2dfk n HIS 104 Cb 0.29 -0.96 0.01 0.00 1.12 0.00 0.00 29.99 30.45 2dfk n HIS 104 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dfk h PRO 106 N 3.02 0.00 -0.47 0.00 0.13 -1.69 -2.28 132.00 130.71 2dfk h PRO 106 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2dfk h PRO 106 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2dfk h PRO 106 CO 0.38 0.01 0.00 1.63 -0.23 0.00 0.00 178.00 179.79 2dfk n LYS 107 N -3.17 2.57 -3.53 0.86 5.02 -1.26 -4.97 118.16 113.67 2dfk n LYS 107 Ca -0.02 -2.25 -0.37 0.00 -2.02 0.00 0.00 58.31 53.66 2dfk n LYS 107 Cb 0.16 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 33.68 2dfk n LYS 107 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2dfk s THR 108 N -1.09 5.29 0.67 -0.18 2.01 -0.86 -4.51 115.64 116.97 2dfk s THR 108 Ca 0.35 0.51 -0.15 0.00 0.31 0.00 0.00 61.69 62.71 2dfk s THR 108 Cb 0.19 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 69.07 2dfk s THR 108 CO 0.25 0.35 1.14 -2.16 -0.69 0.00 0.00 174.62 173.51 2dfk s PRO 109 N 0.78 2.65 -0.01 4.92 0.04 -1.26 -4.89 135.00 137.23 2dfk s PRO 109 Ca 0.15 1.53 -0.08 0.00 0.04 0.00 0.00 61.00 62.64 2dfk s PRO 109 Cb -0.13 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2dfk s PRO 109 CO 0.05 -1.39 0.17 -0.59 0.04 0.00 0.00 177.00 175.28 2dfk s PHE 110 N -2.17 -0.03 0.10 0.56 -0.12 -1.26 -2.13 117.98 112.93 2dfk s PHE 110 Ca 0.70 0.01 0.05 0.00 -0.05 0.00 0.00 56.93 57.64 2dfk s PHE 110 Cb -0.24 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 2dfk s PHE 110 CO 0.41 -0.28 0.02 -0.51 -0.05 0.00 0.00 175.22 174.82 2dfk s LEU 111 N -1.17 3.54 -0.27 -1.99 1.02 -0.41 -1.10 118.68 118.31 2dfk s LEU 111 Ca -0.13 -0.15 -0.15 0.00 0.02 0.00 0.00 54.13 53.73 2dfk s LEU 111 Cb -0.06 -2.25 -0.04 0.00 0.02 0.00 0.00 46.19 43.86 2dfk s LEU 111 CO 0.02 0.16 0.36 -0.22 0.02 0.00 0.00 176.35 176.69 2dfk s LEU 112 N -2.40 4.05 -0.21 1.79 2.96 -0.54 -0.50 118.68 123.82 2dfk s LEU 112 Ca 0.27 0.28 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 2dfk s LEU 112 Cb -0.12 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 44.20 2dfk s LEU 112 CO 0.19 -0.16 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.22 2dfk s VAL 113 N 1.98 2.23 -0.10 1.68 1.01 0.37 -1.54 120.40 126.04 2dfk s VAL 113 Ca 0.14 -1.11 -0.24 0.00 0.00 0.00 0.00 61.98 60.78 2dfk s VAL 113 Cb -0.16 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 2dfk s VAL 113 CO 0.10 0.35 0.73 -0.83 0.00 0.00 0.00 175.10 175.45 2dfk s GLY 114 N 1.25 2.46 0.39 4.51 0.00 0.09 -1.79 107.32 114.24 2dfk s GLY 114 Ca 0.01 0.09 0.08 0.00 0.00 0.00 0.00 44.72 44.89 2dfk s GLY 114 CO -0.10 1.32 0.30 -0.51 0.00 0.00 0.00 173.10 174.11 2dfk s THR 115 N 1.21 2.77 -1.17 0.90 -4.23 0.59 -1.36 115.64 114.35 2dfk s THR 115 Ca 0.37 -1.46 -0.03 0.00 -1.18 0.00 0.00 61.69 59.40 2dfk s THR 115 Cb -0.17 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.64 2dfk s THR 115 CO 0.16 -0.05 0.40 0.00 -0.54 0.00 0.00 174.62 174.59 2dfk n GLN 116 N -1.41 -3.34 0.29 3.99 6.02 -1.09 -1.60 117.38 120.24 2dfk n GLN 116 Ca 0.01 0.69 0.17 0.00 -0.01 0.00 0.00 57.00 57.85 2dfk n GLN 116 Cb 0.62 -5.05 0.88 0.00 1.02 0.00 0.00 30.24 27.70 2dfk n GLN 116 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 2dfk h ILE 117 N -0.91 0.31 0.00 5.09 3.07 -1.85 0.15 117.51 123.37 2dfk h ILE 117 Ca -0.39 -0.33 -0.01 0.00 1.55 0.00 0.00 64.86 65.68 2dfk h ILE 117 Cb 1.27 1.24 -0.00 0.00 -0.27 0.00 0.00 36.82 39.06 2dfk h ILE 117 CO 0.42 0.05 -0.05 -2.24 -1.05 0.00 0.00 178.15 175.28 2dfk h ASP 118 N 0.00 0.00 0.58 2.16 3.04 -1.90 -2.64 116.42 117.66 2dfk h ASP 118 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2dfk h ASP 118 Cb 0.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.53 2dfk h ASP 118 CO 0.01 0.05 0.00 0.18 -2.04 0.00 0.00 179.24 177.44 2dfk n LEU 119 N -3.80 0.00 0.25 0.15 4.77 0.04 -2.47 117.00 115.94 2dfk n LEU 119 Ca -0.03 0.40 0.09 0.00 -0.03 0.00 0.00 56.01 56.44 2dfk n LEU 119 Cb 0.15 -0.40 0.64 0.00 -2.33 0.00 0.00 43.42 41.48 2dfk n LEU 119 CO 0.29 -0.11 1.01 0.03 -1.33 0.00 0.00 177.39 177.29 2dfk h ARG 120 N 0.00 0.00 -0.02 3.23 3.08 -1.61 -2.69 114.38 116.36 2dfk h ARG 120 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2dfk h ARG 120 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2dfk h ARG 120 CO 0.00 0.07 -0.04 -0.25 -1.07 0.00 0.00 179.97 178.68 2dfk n ASP 121 N -4.29 2.20 -4.65 7.04 8.00 -1.03 -4.90 116.55 118.92 2dfk n ASP 121 Ca -0.03 -1.70 -0.41 0.00 0.71 0.00 0.00 54.79 53.36 2dfk n ASP 121 Cb 0.15 0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.24 2dfk n ASP 121 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2dfk s ASP 122 N -2.05 6.81 0.23 -2.24 2.15 -1.02 -4.95 116.67 115.60 2dfk s ASP 122 Ca 0.32 1.01 -0.07 0.00 0.43 0.00 0.00 52.55 54.23 2dfk s ASP 122 Cb 0.20 -2.42 0.37 0.00 -0.30 0.00 0.00 42.92 40.78 2dfk s ASP 122 CO 0.34 -0.45 1.71 -0.65 -0.17 0.00 0.00 175.17 175.95 2dfk h PRO 123 N 7.60 0.30 -0.33 4.34 0.11 -1.93 -2.34 132.00 139.76 2dfk h PRO 123 Ca -0.26 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.68 2dfk h PRO 123 Cb 1.11 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2dfk h PRO 123 CO 0.84 0.20 -0.38 0.77 -0.21 0.00 0.00 178.00 179.22 2dfk h SER 124 N 0.31 0.91 -0.63 -2.05 0.02 -1.96 -1.40 113.55 108.76 2dfk h SER 124 Ca 0.36 -0.48 0.05 0.00 -0.84 0.00 0.00 61.79 60.88 2dfk h SER 124 Cb 0.56 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 2dfk h SER 124 CO -0.43 1.21 0.36 0.74 -1.14 0.00 0.00 176.83 177.57 2dfk h THR 125 N 0.63 1.01 -0.34 -2.27 2.02 -1.81 -1.31 112.91 110.83 2dfk h THR 125 Ca 0.05 -0.23 -0.13 0.00 0.77 0.00 0.00 66.41 66.86 2dfk h THR 125 Cb 0.97 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2dfk h THR 125 CO 0.09 0.12 -0.31 0.40 0.37 0.00 0.00 175.52 176.20 2dfk h ILE 126 N 0.68 1.29 -0.68 3.11 1.08 -1.20 -1.92 117.51 119.88 2dfk h ILE 126 Ca 0.27 -1.48 -0.06 0.00 -0.39 0.00 0.00 64.86 63.20 2dfk h ILE 126 Cb 0.12 1.47 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 2dfk h ILE 126 CO -0.15 0.48 0.18 -0.08 -0.69 0.00 0.00 178.15 177.89 2dfk h GLU 127 N 0.59 1.08 -0.11 2.37 4.81 -1.20 -1.31 114.58 120.81 2dfk h GLU 127 Ca 0.06 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 58.99 2dfk h GLU 127 Cb 0.89 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 2dfk h GLU 127 CO 0.08 0.95 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.98 2dfk h LYS 128 N 1.01 0.27 -0.50 1.92 3.64 -1.04 -2.20 116.57 119.68 2dfk h LYS 128 Ca 0.22 -0.14 0.10 0.00 -1.27 0.00 0.00 60.65 59.55 2dfk h LYS 128 Cb 0.35 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.08 2dfk h LYS 128 CO -0.00 0.68 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.72 2dfk h LEU 129 N -0.12 -0.35 -1.99 5.20 3.38 -1.38 -2.42 115.31 117.63 2dfk h LEU 129 Ca 0.02 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2dfk h LEU 129 Cb 0.63 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2dfk h LEU 129 CO 0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 178.44 178.40 2dfk h ALA 130 N 1.47 1.05 -0.25 1.53 0.00 -0.91 -0.89 119.26 121.26 2dfk h ALA 130 Ca 0.24 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2dfk h ALA 130 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2dfk h ALA 130 CO -0.47 0.04 -0.09 0.87 0.00 0.00 0.00 179.25 179.61 2dfk h LYS 131 N 0.00 0.41 -0.73 0.00 1.57 -0.88 -2.11 116.57 114.83 2dfk h LYS 131 Ca -0.00 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 2dfk h LYS 131 Cb 0.34 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.51 2dfk h LYS 131 CO 0.00 0.50 0.19 0.09 -0.57 0.00 0.00 179.45 179.66 2dfk n ASN 132 N -4.25 4.89 -4.13 0.86 3.02 -0.42 -4.94 115.26 110.28 2dfk n ASN 132 Ca 0.00 -3.05 -0.33 0.00 -0.03 0.00 0.00 54.58 51.17 2dfk n ASN 132 Cb 0.28 -0.72 -0.02 0.00 -0.61 0.00 0.00 39.78 38.71 2dfk n ASN 132 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2dfk n LYS 133 N 0.09 -3.47 -4.58 3.52 5.02 -0.79 -4.98 118.16 112.98 2dfk n LYS 133 Ca 0.35 0.40 -0.27 0.00 -2.02 0.00 0.00 58.31 56.77 2dfk n LYS 133 Cb 1.27 -5.01 -0.11 0.00 -0.02 0.00 0.00 35.03 31.16 2dfk n LYS 133 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2dfk s GLN 134 N -6.82 1.95 0.23 1.97 -0.21 -0.69 -4.99 119.66 111.11 2dfk s GLN 134 Ca 0.57 -2.06 -0.16 0.00 0.02 0.00 0.00 55.36 53.73 2dfk s GLN 134 Cb -0.31 -1.67 0.01 0.00 1.00 0.00 0.00 33.01 32.04 2dfk s GLN 134 CO 0.91 -0.02 0.54 -1.59 -2.12 0.00 0.00 175.29 173.02 2dfk s LYS 135 N -3.70 1.53 0.93 2.91 -2.85 -1.26 -3.11 119.74 114.19 2dfk s LYS 135 Ca 0.35 -1.06 -0.11 0.00 -1.00 0.00 0.00 55.97 54.15 2dfk s LYS 135 Cb 0.08 0.52 0.15 0.00 -2.06 0.00 0.00 37.83 36.52 2dfk s LYS 135 CO 0.18 -0.66 1.12 -2.14 0.10 0.00 0.00 175.35 173.95 2dfk s PRO 136 N -3.94 0.94 0.13 1.78 0.02 -1.26 -4.81 135.00 127.85 2dfk s PRO 136 Ca 0.15 1.33 -0.30 0.00 0.02 0.00 0.00 61.00 62.20 2dfk s PRO 136 Cb -0.02 -1.73 -0.06 0.00 0.02 0.00 0.00 34.50 32.70 2dfk s PRO 136 CO 0.04 -2.61 0.99 0.42 -0.33 0.00 0.00 177.00 175.51 2dfk s ILE 137 N -2.68 4.35 0.35 2.83 -1.09 0.11 -5.00 121.20 120.06 2dfk s ILE 137 Ca 0.66 1.98 -0.11 0.00 -2.23 0.00 0.00 60.65 60.95 2dfk s ILE 137 Cb -0.22 -4.26 -0.07 0.00 -1.58 0.00 0.00 42.46 36.33 2dfk s ILE 137 CO 0.59 0.32 0.71 -0.89 -1.23 0.00 0.00 174.94 174.43 2dfk s THR 138 N -0.09 4.81 0.22 2.92 2.01 -1.26 -4.89 115.64 119.34 2dfk s THR 138 Ca 0.47 0.61 -0.08 0.00 0.31 0.00 0.00 61.69 63.01 2dfk s THR 138 Cb -0.25 -3.69 0.16 0.00 0.01 0.00 0.00 72.50 68.74 2dfk s THR 138 CO 0.31 -0.36 1.79 -0.65 -0.69 0.00 0.00 174.62 175.02 2dfk h PRO 139 N 1.71 1.20 -0.27 4.92 0.11 -1.99 -2.42 132.00 135.28 2dfk h PRO 139 Ca -0.47 -0.21 0.06 0.00 0.11 0.00 0.00 66.00 65.49 2dfk h PRO 139 Cb 1.18 -0.20 -0.08 0.00 0.11 0.00 0.00 31.00 32.02 2dfk h PRO 139 CO 0.65 0.96 -0.28 1.49 -0.21 0.00 0.00 178.00 180.60 2dfk h GLU 140 N 1.18 -0.27 -0.88 1.05 4.81 -1.99 0.22 114.58 118.69 2dfk h GLU 140 Ca 0.27 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.53 2dfk h GLU 140 Cb 0.19 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2dfk h GLU 140 CO -0.03 -0.18 0.58 1.15 -0.73 0.00 0.00 179.01 179.81 2dfk h THR 141 N -0.28 1.22 -0.00 0.32 2.02 -1.91 -1.85 112.91 112.42 2dfk h THR 141 Ca 0.14 -0.41 -0.14 0.00 0.77 0.00 0.00 66.41 66.78 2dfk h THR 141 Cb 0.51 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2dfk h THR 141 CO -0.43 0.22 -0.65 0.00 0.37 0.00 0.00 175.52 175.03 2dfk h ALA 142 N 1.45 0.92 -0.37 6.16 0.00 -1.08 -2.37 119.26 123.97 2dfk h ALA 142 Ca 0.33 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 2dfk h ALA 142 Cb -0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2dfk h ALA 142 CO -0.07 0.81 -0.24 0.93 0.00 0.00 0.00 179.25 180.68 2dfk h GLU 143 N 0.01 0.75 -0.46 0.00 5.08 -0.37 -1.13 114.58 118.46 2dfk h GLU 143 Ca -0.01 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 2dfk h GLU 143 Cb 1.16 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2dfk h GLU 143 CO 0.09 0.92 0.02 -0.22 -1.00 0.00 0.00 179.01 178.82 2dfk h LYS 144 N 0.65 0.79 -0.28 2.33 3.64 -1.24 -1.52 116.57 120.94 2dfk h LYS 144 Ca 0.09 -0.24 -0.15 0.00 -1.27 0.00 0.00 60.65 59.08 2dfk h LYS 144 Cb 0.75 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 2dfk h LYS 144 CO 0.06 0.84 -0.44 1.25 -2.27 0.00 0.00 179.45 178.89 2dfk h LEU 145 N 0.64 0.76 -0.53 5.20 6.46 -1.15 -1.80 115.31 124.90 2dfk h LEU 145 Ca 0.13 -0.36 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 2dfk h LEU 145 Cb 0.46 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 2dfk h LEU 145 CO 0.02 1.09 0.34 0.00 -0.62 0.00 0.00 178.44 179.27 2dfk h ALA 146 N 0.94 0.67 -0.27 1.25 0.00 -0.92 0.18 119.26 121.11 2dfk h ALA 146 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2dfk h ALA 146 Cb 0.99 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2dfk h ALA 146 CO 0.09 0.13 0.15 0.00 0.00 0.00 0.00 179.25 179.62 2dfk h ARG 147 N 0.71 0.38 -0.26 0.00 3.08 -1.19 -0.53 114.38 116.58 2dfk h ARG 147 Ca 0.19 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 2dfk h ARG 147 Cb -0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2dfk h ARG 147 CO -0.04 0.33 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.74 2dfk h ASP 148 N 0.32 0.36 0.00 7.04 3.32 -0.67 -2.90 116.42 123.90 2dfk h ASP 148 Ca 0.10 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2dfk h ASP 148 Cb 0.07 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2dfk h ASP 148 CO -0.02 0.44 -0.03 0.18 -1.72 0.00 0.00 179.24 178.09 2dfk n LEU 149 N -4.32 1.80 -2.19 1.55 4.77 -0.01 -4.96 117.00 113.64 2dfk n LEU 149 Ca 0.01 -0.60 -0.15 0.00 -0.03 0.00 0.00 56.01 55.24 2dfk n LEU 149 Cb 0.22 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2dfk n LEU 149 CO 0.38 0.30 0.05 0.29 -1.33 0.00 0.00 177.39 177.08 2dfk n LYS 150 N 0.36 -3.82 -2.47 3.23 4.76 -0.95 -5.03 118.16 114.24 2dfk n LYS 150 Ca 0.17 0.58 -0.37 0.00 -2.87 0.00 0.00 58.31 55.82 2dfk n LYS 150 Cb 0.41 -4.77 -0.03 0.00 -1.84 0.00 0.00 35.03 28.79 2dfk n LYS 150 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dfk s ALA 151 N -3.03 3.13 0.13 7.82 0.00 -0.25 -4.81 121.76 124.74 2dfk s ALA 151 Ca 0.25 0.79 -0.25 0.00 0.00 0.00 0.00 51.96 52.75 2dfk s ALA 151 Cb -0.11 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 2dfk s ALA 151 CO 0.32 -0.30 1.63 0.28 0.00 0.00 0.00 175.76 177.69 2dfk h VAL 152 N 2.29 0.39 -2.43 0.00 2.07 -1.43 -3.44 116.25 113.71 2dfk h VAL 152 Ca -0.48 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.06 2dfk h VAL 152 Cb 1.22 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2dfk h VAL 152 CO 0.63 0.00 0.22 2.29 0.02 0.00 0.00 177.57 180.72 2dfk n LYS 153 N -5.38 0.56 -4.09 1.57 2.85 -1.26 -5.04 118.16 107.37 2dfk n LYS 153 Ca -0.04 -1.14 -0.35 0.00 -1.05 0.00 0.00 58.31 55.74 2dfk n LYS 153 Cb 0.30 1.45 -0.12 0.00 -0.65 0.00 0.00 35.03 36.00 2dfk n LYS 153 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 2dfk s TYR 154 N -4.68 3.08 0.11 5.58 5.04 -1.26 -1.47 117.35 123.74 2dfk s TYR 154 Ca 0.10 -0.32 0.05 0.00 -2.44 0.00 0.00 57.07 54.46 2dfk s TYR 154 Cb -0.02 -2.08 -0.04 0.00 0.35 0.00 0.00 41.96 40.17 2dfk s TYR 154 CO 0.06 -0.14 -0.12 0.14 -1.34 0.00 0.00 175.55 174.14 2dfk s VAL 155 N 0.84 1.12 0.01 3.14 -7.23 -0.59 -5.00 120.40 112.69 2dfk s VAL 155 Ca 0.01 -1.66 0.03 0.00 -1.81 0.00 0.00 61.98 58.55 2dfk s VAL 155 Cb -0.14 -1.42 -0.01 0.00 0.56 0.00 0.00 36.38 35.37 2dfk s VAL 155 CO 0.02 -0.48 -0.08 -0.70 -0.31 0.00 0.00 175.10 173.55 2dfk s GLU 156 N -2.69 0.64 0.16 4.82 2.12 -1.26 -0.74 118.70 121.75 2dfk s GLU 156 Ca 0.07 -0.40 -0.15 0.00 0.36 0.00 0.00 54.97 54.85 2dfk s GLU 156 Cb -0.04 -0.59 0.02 0.00 0.26 0.00 0.00 34.13 33.78 2dfk s GLU 156 CO 0.01 0.16 0.43 0.00 -0.54 0.00 0.00 175.26 175.32 2dfk s SER 158 N -2.87 4.04 0.40 0.00 0.15 -0.57 -2.67 113.70 112.19 2dfk s SER 158 Ca 0.08 -0.74 0.07 0.00 0.70 0.00 0.00 55.95 56.07 2dfk s SER 158 Cb 0.01 -1.63 0.84 0.00 -1.71 0.00 0.00 66.02 63.53 2dfk s SER 158 CO -0.06 -0.08 2.03 0.00 1.20 0.00 0.00 173.24 176.34 2dfk h ALA 159 N 8.01 1.66 0.03 5.45 0.00 -1.90 0.02 119.26 132.53 2dfk h ALA 159 Ca -0.37 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2dfk h ALA 159 Cb 1.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2dfk h ALA 159 CO 0.59 0.29 -0.02 1.25 0.00 0.00 0.00 179.25 181.36 2dfk h LEU 160 N 0.50 -0.04 0.00 0.00 5.85 -1.94 -3.31 115.31 116.38 2dfk h LEU 160 Ca 0.13 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2dfk h LEU 160 Cb 0.02 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2dfk h LEU 160 CO -0.02 0.38 -0.95 0.35 -0.34 0.00 0.00 178.44 177.86 2dfk n THR 161 N -4.91 0.18 -0.95 1.05 -2.24 -1.24 -4.89 114.28 101.29 2dfk n THR 161 Ca -0.08 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2dfk n THR 161 Cb 0.22 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 2dfk n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dfk n GLN 162 N -1.96 -0.43 -1.68 -0.78 6.02 -0.01 -5.00 117.38 113.55 2dfk n GLN 162 Ca 0.02 0.11 -0.44 0.00 -0.01 0.00 0.00 57.00 56.68 2dfk n GLN 162 Cb 0.43 -3.48 -0.04 0.00 1.02 0.00 0.00 30.24 28.18 2dfk n GLN 162 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2dfk n LYS 163 N -1.81 2.56 -0.84 -1.09 4.81 -1.22 -1.50 118.16 119.07 2dfk n LYS 163 Ca 0.00 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 2dfk n LYS 163 Cb 0.11 -2.81 0.00 0.00 0.02 0.00 0.00 35.03 32.35 2dfk n LYS 163 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dfk n GLY 164 N 4.19 0.57 0.12 3.14 0.00 -1.26 -1.50 105.19 110.44 2dfk n GLY 164 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 2dfk n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dfk h LEU 165 N 0.00 0.32 -1.19 0.99 5.85 -1.54 -2.57 115.31 117.17 2dfk h LEU 165 Ca 0.00 -0.56 -0.06 0.00 0.84 0.00 0.00 57.88 58.10 2dfk h LEU 165 Cb 0.06 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2dfk h LEU 165 CO 0.00 0.81 -0.10 0.07 -0.34 0.00 0.00 178.44 178.89 2dfk h LYS 166 N -0.17 0.44 -0.41 1.25 5.09 -1.91 -2.89 116.57 117.97 2dfk h LYS 166 Ca 0.00 -0.11 -0.07 0.00 0.09 0.00 0.00 60.65 60.56 2dfk h LYS 166 Cb 0.76 -0.05 -0.02 0.00 0.10 0.00 0.00 32.23 33.02 2dfk h LYS 166 CO 0.04 0.55 -0.04 -0.97 -2.09 0.00 0.00 179.45 176.93 2dfk h ASN 167 N 0.41 0.65 -0.36 7.07 -0.73 -1.93 -1.01 115.58 119.69 2dfk h ASN 167 Ca 0.08 -0.16 0.08 0.00 1.87 0.00 0.00 56.30 58.17 2dfk h ASN 167 Cb 0.43 -0.17 -0.08 0.00 0.27 0.00 0.00 38.32 38.77 2dfk h ASN 167 CO 0.02 0.75 -0.18 0.58 -0.37 0.00 0.00 177.43 178.24 2dfk h VAL 168 N 0.63 0.47 -0.03 2.57 2.07 -1.23 -0.36 116.25 120.37 2dfk h VAL 168 Ca 0.12 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.47 2dfk h VAL 168 Cb 0.46 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2dfk h VAL 168 CO 0.02 0.00 -0.74 -0.26 0.02 0.00 0.00 177.57 176.61 2dfk h PHE 169 N -0.12 0.26 -0.53 1.57 -1.00 -1.47 -1.58 116.94 114.08 2dfk h PHE 169 Ca 0.18 -0.12 -0.05 0.00 2.81 0.00 0.00 57.97 60.79 2dfk h PHE 169 Cb 0.39 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 2dfk h PHE 169 CO -0.40 0.86 0.14 -0.44 -1.61 0.00 0.00 178.31 176.87 2dfk h ASP 170 N 0.12 0.79 0.01 2.17 3.32 -1.01 -1.10 116.42 120.73 2dfk h ASP 170 Ca -0.02 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.74 2dfk h ASP 170 Cb 1.31 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2dfk h ASP 170 CO 0.11 0.81 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.94 2dfk h GLU 171 N 0.73 0.30 -0.33 3.56 4.39 -0.95 -1.51 114.58 120.77 2dfk h GLU 171 Ca 0.17 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2dfk h GLU 171 Cb 0.31 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2dfk h GLU 171 CO -0.00 0.47 0.14 0.00 -1.16 0.00 0.00 179.01 178.45 2dfk h ALA 172 N 1.55 0.43 -0.41 3.43 0.00 -0.74 -1.18 119.26 122.35 2dfk h ALA 172 Ca 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2dfk h ALA 172 Cb 0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2dfk h ALA 172 CO 0.03 0.03 0.18 0.82 0.00 0.00 0.00 179.25 180.30 2dfk h ILE 173 N 0.39 1.19 0.05 0.00 2.04 -0.84 -2.10 117.51 118.24 2dfk h ILE 173 Ca 0.11 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 2dfk h ILE 173 Cb 0.18 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2dfk h ILE 173 CO -0.01 0.21 -0.02 -0.07 0.00 0.00 0.00 178.15 178.25 2dfk h LEU 174 N 0.52 -0.06 -1.33 1.44 3.38 -1.22 -2.45 115.31 115.59 2dfk h LEU 174 Ca 0.14 -0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.20 2dfk h LEU 174 Cb 0.16 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 2dfk h LEU 174 CO -0.01 0.03 0.58 0.00 0.09 0.00 0.00 178.44 179.12 2dfk h ALA 175 N 0.81 1.92 -0.05 1.53 0.00 -1.06 -0.02 119.26 122.39 2dfk h ALA 175 Ca -0.01 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2dfk h ALA 175 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2dfk h ALA 175 CO 0.01 -0.18 -0.56 0.00 0.00 0.00 0.00 179.25 178.52 2dfk h ALA 176 N 1.61 0.98 0.00 0.00 0.00 -0.95 -3.29 119.26 117.61 2dfk h ALA 176 Ca 0.46 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2dfk h ALA 176 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2dfk h ALA 176 CO -0.21 0.70 -0.83 1.28 0.00 0.00 0.00 179.25 180.19 2dfk n LEU 177 N -3.90 0.76 -4.73 0.00 4.77 -0.83 -4.86 117.00 108.22 2dfk n LEU 177 Ca -0.02 -0.48 -0.42 0.00 -0.03 0.00 0.00 56.01 55.06 2dfk n LEU 177 Cb 0.58 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2dfk n LEU 177 CO 0.43 0.19 0.99 -0.62 -1.33 0.00 0.00 177.39 177.05 2dfk n GLU 178 N -1.42 2.32 -1.51 3.23 -0.58 -0.08 -5.08 120.64 117.52 2dfk n GLU 178 Ca 0.03 0.82 -0.27 0.00 -0.42 0.00 0.00 57.16 57.31 2dfk n GLU 178 Cb 0.27 -2.47 -0.19 0.00 -0.57 0.00 0.00 31.44 28.47 2dfk n GLU 178 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2dfk n PRO 179 N 0.43 0.07 -0.00 3.49 -0.02 -1.26 -5.05 135.00 132.65 2dfk n PRO 179 Ca 0.04 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2dfk n PRO 179 Cb 0.38 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 2dfk n PRO 179 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2dfk n LYS 184 N 6.68 0.00 0.00 -0.52 0.00 -1.26 -5.08 118.16 117.97 2dfk n LYS 184 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.96 2dfk n LYS 184 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.17 2dfk n LYS 184 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2dfk n SER 185 N 0.06 0.00 0.02 3.14 2.88 -1.26 -4.83 113.62 113.63 2dfk n SER 185 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 2dfk n SER 185 Cb 0.00 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 63.86 2dfk n SER 185 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dfk n ARG 186 N 0.00 0.08 -2.55 -1.46 1.74 -1.26 -4.89 116.66 108.31 2dfk n ARG 186 Ca 0.00 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 2dfk n ARG 186 Cb 0.00 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.84 2dfk n ARG 186 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2dfk s ARG 187 N -3.04 4.47 0.48 5.56 3.52 -1.26 -3.68 118.95 125.00 2dfk s ARG 187 Ca 0.11 1.60 -0.24 0.00 -0.13 0.00 0.00 55.73 57.07 2dfk s ARG 187 Cb 0.17 -3.43 -0.07 0.00 -1.56 0.00 0.00 34.95 30.06 2dfk s ARG 187 CO 0.62 -0.20 1.42 0.00 -0.81 0.00 0.00 175.30 176.34 2dfk s VAL 189 N -1.22 0.09 0.00 0.00 1.01 -1.26 -1.18 120.40 117.84 2dfk s VAL 189 Ca 0.64 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2dfk s VAL 189 Cb -0.44 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2dfk s VAL 189 CO 0.55 -0.39 0.00 0.18 0.00 0.00 0.00 175.10 175.44 2dfk n LEU 190 N 1.51 0.00 0.00 3.92 4.77 -1.26 -4.97 117.00 120.97 2dfk n LEU 190 Ca -0.23 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2dfk n LEU 190 Cb 0.55 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2dfk n LEU 190 CO 0.21 -0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.24