#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dck s GLN 2 N 0.00 4.51 -0.83 0.03 -2.07 -1.26 -5.02 119.66 115.03 1dck s GLN 2 Ca 0.00 1.09 0.01 0.00 -1.82 0.00 0.00 55.36 54.64 1dck s GLN 2 Cb 0.00 -3.32 0.21 0.00 -1.09 0.00 0.00 33.01 28.82 1dck s GLN 2 CO 0.00 0.42 0.72 -3.47 -1.32 0.00 0.00 175.29 171.64 1dck n ASP 3 N 2.26 3.90 -4.79 12.60 2.03 -1.26 -5.06 116.55 126.23 1dck n ASP 3 Ca -0.04 -3.20 -0.22 0.00 0.52 0.00 0.00 54.79 51.85 1dck n ASP 3 Cb 0.50 -0.94 -0.05 0.00 -0.72 0.00 0.00 41.12 39.91 1dck n ASP 3 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1dck s TYR 4 N -1.56 2.96 -0.09 -0.67 1.13 -1.26 -4.96 117.35 112.89 1dck s TYR 4 Ca 0.28 -0.19 0.01 0.00 -1.41 0.00 0.00 57.07 55.76 1dck s TYR 4 Cb -0.04 -1.46 -0.02 0.00 -1.10 0.00 0.00 41.96 39.34 1dck s TYR 4 CO -0.12 0.46 -0.11 0.99 -2.51 0.00 0.00 175.55 174.25 1dck s THR 5 N -2.23 3.31 -0.36 -3.49 2.01 -0.77 -4.23 115.64 109.88 1dck s THR 5 Ca 0.35 -0.61 -0.17 0.00 0.31 0.00 0.00 61.69 61.57 1dck s THR 5 Cb -0.07 -2.35 -0.00 0.00 0.01 0.00 0.00 72.50 70.09 1dck s THR 5 CO 0.24 0.56 0.44 -0.69 -0.69 0.00 0.00 174.62 174.48 1dck s VAL 6 N -0.34 5.09 -0.18 3.82 1.01 0.34 -0.97 120.40 129.16 1dck s VAL 6 Ca 0.04 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 1dck s VAL 6 Cb -0.13 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1dck s VAL 6 CO 0.02 -0.21 0.44 -1.00 0.00 0.00 0.00 175.10 174.35 1dck s HIS 7 N 2.20 3.41 -0.11 5.22 3.76 0.11 -1.03 115.29 128.85 1dck s HIS 7 Ca 0.15 0.71 0.00 0.00 -0.15 0.00 0.00 55.06 55.76 1dck s HIS 7 Cb -0.16 -2.55 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 1dck s HIS 7 CO 0.13 0.02 -0.10 0.42 -0.85 0.00 0.00 174.74 174.36 1dck s ILE 8 N 1.19 3.35 -0.07 0.60 1.01 -0.04 -0.15 121.20 127.09 1dck s ILE 8 Ca 0.21 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1dck s ILE 8 Cb -0.15 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 39.95 1dck s ILE 8 CO 0.09 0.55 -0.06 -0.69 0.00 0.00 0.00 174.94 174.82 1dck s VAL 9 N -0.10 0.77 -0.09 2.92 1.01 -0.51 -1.06 120.40 123.35 1dck s VAL 9 Ca -0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 1dck s VAL 9 Cb -0.14 -0.79 0.04 0.00 0.00 0.00 0.00 36.38 35.50 1dck s VAL 9 CO 0.03 0.30 0.44 -0.62 0.00 0.00 0.00 175.10 175.25 1dck s ASP 10 N 1.19 -0.40 0.09 3.32 -1.08 -1.26 -1.33 116.67 117.19 1dck s ASP 10 Ca -0.06 0.57 0.01 0.00 -0.52 0.00 0.00 52.55 52.56 1dck s ASP 10 Cb -0.14 0.63 -0.25 0.00 -1.46 0.00 0.00 42.92 41.70 1dck s ASP 10 CO -0.02 -0.35 1.18 -2.24 0.52 0.00 0.00 175.17 174.26 1dck h ASP 11 N 4.38 0.21 -3.58 -0.34 2.03 -1.89 -3.43 116.42 113.80 1dck h ASP 11 Ca -0.28 -0.24 -0.61 0.00 -0.73 0.00 0.00 57.03 55.17 1dck h ASP 11 Cb 1.17 -0.07 -0.11 0.00 -0.83 0.00 0.00 39.33 39.49 1dck h ASP 11 CO 0.32 1.19 0.46 -1.61 -1.03 0.00 0.00 179.24 178.56 1dck s GLU 12 N -2.68 3.63 0.20 4.15 2.02 -1.26 -4.96 118.70 119.81 1dck s GLU 12 Ca -0.02 0.22 -0.10 0.00 0.02 0.00 0.00 54.97 55.09 1dck s GLU 12 Cb 0.08 -3.87 0.24 0.00 0.10 0.00 0.00 34.13 30.69 1dck s GLU 12 CO 0.85 -1.02 1.79 1.49 0.02 0.00 0.00 175.26 178.39 1dck h GLU 13 N 8.74 0.56 -0.97 1.61 4.81 -1.97 -2.10 114.58 125.25 1dck h GLU 13 Ca -0.24 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.03 1dck h GLU 13 Cb 1.09 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.27 1dck h GLU 13 CO 0.96 0.37 0.62 -1.00 -0.73 0.00 0.00 179.01 179.23 1dck h PRO 14 N 0.57 1.07 -0.33 0.92 0.13 -1.99 0.15 132.00 132.53 1dck h PRO 14 Ca 0.29 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 65.20 1dck h PRO 14 Cb 0.24 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1dck h PRO 14 CO -0.21 0.71 -0.41 0.28 -0.23 0.00 0.00 178.00 178.13 1dck h VAL 15 N 1.10 1.28 0.01 1.56 2.07 -1.93 -2.06 116.25 118.29 1dck h VAL 15 Ca 0.43 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 1dck h VAL 15 Cb 0.22 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1dck h VAL 15 CO -0.19 0.52 -0.01 -0.09 0.02 0.00 0.00 177.57 177.83 1dck h ARG 16 N 0.65 -0.01 -0.38 1.57 2.43 -0.81 -1.98 114.38 115.84 1dck h ARG 16 Ca 0.05 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1dck h ARG 16 Cb 0.98 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 1dck h ARG 16 CO 0.09 0.10 -0.03 0.87 -1.51 0.00 0.00 179.97 179.50 1dck h LYS 17 N -0.13 0.62 0.65 0.20 1.57 -0.95 -0.68 116.57 117.85 1dck h LYS 17 Ca -0.00 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1dck h LYS 17 Cb 0.12 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1dck h LYS 17 CO 0.00 0.67 -0.31 1.03 -0.57 0.00 0.00 179.45 180.27 1dck h SER 18 N 0.59 -0.74 0.36 0.86 0.87 -1.20 0.89 113.55 115.17 1dck h SER 18 Ca 0.12 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1dck h SER 18 Cb 0.42 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1dck h SER 18 CO 0.02 -0.50 -0.27 0.25 -0.53 0.00 0.00 176.83 175.79 1dck h LEU 19 N -0.91 -0.71 -0.49 2.23 6.46 -1.26 -1.25 115.31 119.38 1dck h LEU 19 Ca -0.09 0.05 0.10 0.00 -0.12 0.00 0.00 57.88 57.82 1dck h LEU 19 Cb 0.68 0.23 -0.09 0.00 -0.73 0.00 0.00 40.66 40.75 1dck h LEU 19 CO 0.15 -0.41 -0.13 0.00 -0.62 0.00 0.00 178.44 177.42 1dck h ALA 20 N -0.07 0.30 -0.88 1.25 0.00 -1.06 -0.72 119.26 118.07 1dck h ALA 20 Ca -0.03 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1dck h ALA 20 Cb 0.55 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1dck h ALA 20 CO -0.00 -0.46 0.51 0.74 0.00 0.00 0.00 179.25 180.04 1dck h PHE 21 N -0.02 1.19 -0.33 0.00 -1.00 -0.65 -1.51 116.94 114.61 1dck h PHE 21 Ca 0.23 -0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.97 1dck h PHE 21 Cb 0.37 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 1dck h PHE 21 CO -0.43 0.81 0.08 1.98 -1.61 0.00 0.00 178.31 179.13 1dck h MET 22 N 1.22 0.53 -0.71 1.51 4.05 -0.19 -1.38 114.93 119.97 1dck h MET 22 Ca 0.31 -0.13 -0.05 0.00 -0.28 0.00 0.00 59.70 59.55 1dck h MET 22 Cb -0.01 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 1dck h MET 22 CO -0.05 0.59 0.24 -0.07 0.23 0.00 0.00 176.91 177.84 1dck h LEU 23 N 0.37 1.00 -0.84 3.39 3.38 -0.93 -2.23 115.31 119.46 1dck h LEU 23 Ca 0.10 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1dck h LEU 23 Cb 0.31 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1dck h LEU 23 CO 0.00 0.92 -0.38 0.71 0.09 0.00 0.00 178.44 179.78 1dck h THR 24 N 1.04 1.30 0.00 0.22 1.35 -1.08 -1.08 112.91 114.66 1dck h THR 24 Ca 0.23 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1dck h THR 24 Cb 0.27 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1dck h THR 24 CO -0.01 0.46 0.00 0.24 -0.25 0.00 0.00 175.52 175.96 1dck h MET 25 N 0.34 0.00 -0.68 4.72 2.86 -0.92 -2.20 114.93 119.04 1dck h MET 25 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1dck h MET 25 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1dck h MET 25 CO 0.07 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.13 1dck n ASN 26 N -2.55 4.44 0.00 1.22 3.02 -0.48 -4.96 115.26 115.95 1dck n ASN 26 Ca 0.01 -2.26 0.00 0.00 -0.03 0.00 0.00 54.58 52.30 1dck n ASN 26 Cb 0.24 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 1dck n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dck n GLY 27 N 1.34 0.67 3.84 7.41 0.00 -0.83 -5.05 105.19 112.56 1dck n GLY 27 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 1dck n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dck s PHE 28 N -2.46 3.35 -0.12 1.61 0.40 -0.74 -5.01 117.98 115.01 1dck s PHE 28 Ca 0.00 1.42 -0.26 0.00 -0.60 0.00 0.00 56.93 57.49 1dck s PHE 28 Cb 0.00 -2.71 -0.02 0.00 0.51 0.00 0.00 43.02 40.80 1dck s PHE 28 CO 0.00 -0.05 0.87 0.00 0.70 0.00 0.00 175.22 176.74 1dck s ALA 29 N -2.15 3.43 0.01 5.36 0.00 -1.26 -4.39 121.76 122.77 1dck s ALA 29 Ca 0.58 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.77 1dck s ALA 29 Cb -0.10 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1dck s ALA 29 CO 0.17 -0.52 -0.13 0.08 0.00 0.00 0.00 175.76 175.36 1dck s VAL 30 N 1.80 1.01 -0.08 0.00 1.01 -1.26 -0.50 120.40 122.38 1dck s VAL 30 Ca 0.42 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1dck s VAL 30 Cb -0.18 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.35 1dck s VAL 30 CO 0.16 0.14 -0.02 -0.75 0.00 0.00 0.00 175.10 174.63 1dck s LYS 31 N -0.69 0.85 -0.12 2.72 2.20 -0.19 -4.92 119.74 119.59 1dck s LYS 31 Ca 0.03 0.00 -0.18 0.00 -0.36 0.00 0.00 55.97 55.46 1dck s LYS 31 Cb -0.06 -1.11 -0.04 0.00 -1.51 0.00 0.00 37.83 35.10 1dck s LYS 31 CO 0.00 -0.28 0.46 -1.64 -0.36 0.00 0.00 175.35 173.54 1dck s MET 32 N 1.83 4.33 -0.03 4.03 -1.94 -1.26 -0.86 119.30 125.39 1dck s MET 32 Ca 0.04 0.42 -0.00 0.00 -1.71 0.00 0.00 55.69 54.44 1dck s MET 32 Cb -0.12 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.25 1dck s MET 32 CO -0.06 0.17 0.01 -1.01 -0.01 0.00 0.00 175.02 174.13 1dck s HIS 33 N 0.59 3.14 0.41 -0.03 0.09 -0.22 -4.94 115.29 114.33 1dck s HIS 33 Ca 0.25 0.14 0.18 0.00 -0.00 0.00 0.00 55.06 55.63 1dck s HIS 33 Cb -0.15 -1.72 1.05 0.00 -0.00 0.00 0.00 32.58 31.76 1dck s HIS 33 CO 0.10 0.48 1.97 0.37 -0.00 0.00 0.00 174.74 177.65 1dck h GLN 34 N 4.63 0.00 -2.21 1.40 5.75 -1.92 -3.41 115.11 119.35 1dck h GLN 34 Ca -0.50 0.00 0.18 0.00 -0.15 0.00 0.00 58.65 58.19 1dck h GLN 34 Cb 1.18 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.63 1dck h GLN 34 CO 0.57 0.21 0.53 -1.54 -2.65 0.00 0.00 178.83 175.95 1dck s SER 35 N -6.74 -0.20 0.23 -0.69 1.04 -1.26 -4.87 113.70 101.21 1dck s SER 35 Ca -0.03 -0.29 -0.07 0.00 0.48 0.00 0.00 55.95 56.04 1dck s SER 35 Cb 0.15 0.42 0.28 0.00 0.10 0.00 0.00 66.02 66.97 1dck s SER 35 CO 0.67 -0.77 1.86 0.00 0.98 0.00 0.00 173.24 175.98 1dck h ALA 36 N 2.00 1.09 -0.78 5.32 0.00 -1.90 -1.64 119.26 123.35 1dck h ALA 36 Ca -0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1dck h ALA 36 Cb 1.23 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1dck h ALA 36 CO 0.27 0.28 0.48 0.93 0.00 0.00 0.00 179.25 181.22 1dck h GLU 37 N 0.96 1.05 -0.35 0.00 3.07 -1.96 -1.07 114.58 116.29 1dck h GLU 37 Ca 0.34 -0.08 -0.14 0.00 -0.50 0.00 0.00 59.36 58.98 1dck h GLU 37 Cb 0.09 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 1dck h GLU 37 CO -0.14 0.73 -0.33 0.00 -1.40 0.00 0.00 179.01 177.86 1dck h ALA 38 N 1.46 0.77 -0.35 3.43 0.00 -1.72 -2.20 119.26 120.65 1dck h ALA 38 Ca 0.28 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1dck h ALA 38 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1dck h ALA 38 CO -0.06 0.65 -0.35 0.35 0.00 0.00 0.00 179.25 179.85 1dck h PHE 39 N 0.64 0.92 -0.85 0.00 3.57 -0.97 -1.81 116.94 118.45 1dck h PHE 39 Ca 0.07 -0.26 -0.02 0.00 3.53 0.00 0.00 57.97 61.29 1dck h PHE 39 Cb 0.87 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 1dck h PHE 39 CO 0.05 1.02 0.46 1.25 -2.23 0.00 0.00 178.31 178.85 1dck h LEU 40 N 0.65 1.06 -0.70 0.59 6.46 -1.03 0.65 115.31 123.00 1dck h LEU 40 Ca 0.06 -0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.66 1dck h LEU 40 Cb 0.89 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1dck h LEU 40 CO 0.08 0.86 -0.36 0.00 -0.62 0.00 0.00 178.44 178.40 1dck h ALA 41 N 1.32 0.91 0.00 1.25 0.00 -1.26 -3.11 119.26 118.37 1dck h ALA 41 Ca 0.30 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1dck h ALA 41 Cb 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1dck h ALA 41 CO -0.05 0.45 -1.13 0.35 0.00 0.00 0.00 179.25 178.87 1dck h PHE 42 N 0.00 0.00 -0.97 0.00 3.57 -0.37 -3.41 116.94 115.77 1dck h PHE 42 Ca -0.00 0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.77 1dck h PHE 42 Cb 1.00 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.60 1dck h PHE 42 CO 0.00 0.51 0.50 0.00 -2.23 0.00 0.00 178.31 177.09 1dck h ALA 43 N 1.49 1.74 -0.02 2.41 0.00 0.34 -1.60 119.26 123.61 1dck h ALA 43 Ca -0.11 0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1dck h ALA 43 Cb 1.49 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1dck h ALA 43 CO 0.05 -0.45 0.02 -1.35 0.00 0.00 0.00 179.25 177.52 1dck h PRO 44 N 0.38 0.00 -0.01 0.00 0.11 -1.79 -1.68 132.00 129.01 1dck h PRO 44 Ca 0.66 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.77 1dck h PRO 44 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1dck h PRO 44 CO -0.57 0.00 -0.11 -0.25 -0.21 0.00 0.00 178.00 176.86 1dck n ASP 45 N -4.45 0.67 -4.73 -2.05 8.00 -0.60 -4.91 116.55 108.49 1dck n ASP 45 Ca -0.02 -0.79 -0.42 0.00 0.71 0.00 0.00 54.79 54.27 1dck n ASP 45 Cb 0.11 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1dck n ASP 45 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1dck s VAL 46 N -2.38 3.32 -0.06 2.53 1.01 -0.64 -5.02 120.40 119.17 1dck s VAL 46 Ca 0.31 1.05 0.01 0.00 0.00 0.00 0.00 61.98 63.34 1dck s VAL 46 Cb 0.20 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.93 1dck s VAL 46 CO 0.46 0.14 -0.07 -0.13 0.00 0.00 0.00 175.10 175.50 1dck s ARG 47 N 0.21 1.15 -1.20 2.72 1.81 -1.26 -4.84 118.95 117.54 1dck s ARG 47 Ca 0.58 -0.19 -0.07 0.00 -1.72 0.00 0.00 55.73 54.33 1dck s ARG 47 Cb -0.36 -1.10 -0.02 0.00 -0.45 0.00 0.00 34.95 33.02 1dck s ARG 47 CO 0.36 -0.09 0.79 -1.71 -0.68 0.00 0.00 175.30 173.97 1dck n ASN 48 N 4.18 -3.57 -4.21 0.23 4.05 -1.26 -4.73 115.26 109.95 1dck n ASN 48 Ca -0.21 -0.84 -0.21 0.00 0.45 0.00 0.00 54.58 53.77 1dck n ASN 48 Cb 0.51 -4.20 -0.13 0.00 1.23 0.00 0.00 39.78 37.19 1dck n ASN 48 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1dck s GLY 49 N -3.90 0.99 0.07 8.20 0.00 -1.26 -1.84 107.32 109.57 1dck s GLY 49 Ca 0.23 -1.03 0.07 0.00 0.00 0.00 0.00 44.72 43.99 1dck s GLY 49 CO 0.80 -1.03 -0.15 0.14 0.00 0.00 0.00 173.10 172.87 1dck s VAL 50 N -1.06 3.04 -0.10 1.40 1.01 -0.14 -4.29 120.40 120.24 1dck s VAL 50 Ca 0.03 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 60.78 1dck s VAL 50 Cb -0.09 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1dck s VAL 50 CO 0.02 0.23 -0.12 -0.22 0.00 0.00 0.00 175.10 175.02 1dck s LEU 51 N -1.78 2.79 -0.26 3.92 2.96 -0.01 0.05 118.68 126.35 1dck s LEU 51 Ca 0.17 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1dck s LEU 51 Cb -0.11 -1.61 0.06 0.00 0.50 0.00 0.00 46.19 45.03 1dck s LEU 51 CO 0.09 0.23 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.57 1dck s VAL 52 N -0.04 2.05 0.11 1.68 1.01 0.79 -0.75 120.40 125.24 1dck s VAL 52 Ca -0.02 -1.59 0.09 0.00 0.00 0.00 0.00 61.98 60.46 1dck s VAL 52 Cb -0.14 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1dck s VAL 52 CO 0.04 -0.07 -0.23 0.28 0.00 0.00 0.00 175.10 175.11 1dck s THR 53 N 1.15 1.91 0.51 3.92 -1.32 -0.69 -1.42 115.64 119.70 1dck s THR 53 Ca -0.07 -1.59 -0.16 0.00 -1.21 0.00 0.00 61.69 58.65 1dck s THR 53 Cb -0.20 -1.71 -0.08 0.00 -1.51 0.00 0.00 72.50 69.00 1dck s THR 53 CO -0.05 0.02 0.98 -0.62 -2.21 0.00 0.00 174.62 172.74 1dck s ASP 54 N -1.89 6.62 -0.11 8.08 -1.08 -0.44 -0.47 116.67 127.37 1dck s ASP 54 Ca 0.09 1.56 -0.07 0.00 -0.52 0.00 0.00 52.55 53.61 1dck s ASP 54 Cb -0.10 -2.50 -0.02 0.00 -1.46 0.00 0.00 42.92 38.83 1dck s ASP 54 CO 0.05 -0.58 -0.14 0.25 0.52 0.00 0.00 175.17 175.27 1dck h LEU 55 N 0.92 0.00 -8.27 -1.34 6.46 -1.64 -3.21 115.31 108.24 1dck h LEU 55 Ca -0.47 0.00 -0.43 0.00 -0.12 0.00 0.00 57.88 56.86 1dck h LEU 55 Cb 1.18 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.05 1dck h LEU 55 CO 0.62 0.61 1.07 -0.13 -0.62 0.00 0.00 178.44 179.99 1dck s ARG 56 N -1.99 2.87 -0.17 1.25 0.52 -1.26 -0.46 118.95 119.70 1dck s ARG 56 Ca -0.11 -0.29 -0.02 0.00 -0.52 0.00 0.00 55.73 54.79 1dck s ARG 56 Cb 0.02 -4.90 0.05 0.00 0.52 0.00 0.00 34.95 30.63 1dck s ARG 56 CO 0.17 -2.85 0.00 -1.64 0.02 0.00 0.00 175.30 171.00 1dck s MET 57 N 6.42 0.90 0.22 3.54 -1.94 -1.26 -4.87 119.30 122.31 1dck s MET 57 Ca 0.60 -0.41 -0.19 0.00 -1.71 0.00 0.00 55.69 53.98 1dck s MET 57 Cb -0.06 -1.96 0.20 0.00 2.01 0.00 0.00 34.83 35.02 1dck s MET 57 CO 0.03 -0.54 1.55 -1.00 -0.01 0.00 0.00 175.02 175.05 1dck h PRO 58 N 8.20 -0.00 0.25 2.03 0.13 -2.00 -2.91 132.00 137.71 1dck h PRO 58 Ca -0.19 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.93 1dck h PRO 58 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1dck h PRO 58 CO 0.35 -0.00 -0.12 -0.44 -0.23 0.00 0.00 178.00 177.55 1dck h ASP 59 N -0.00 -0.29 -3.20 1.44 3.45 -2.00 -3.43 116.42 112.39 1dck h ASP 59 Ca 0.32 -0.08 -0.23 0.00 0.43 0.00 0.00 57.03 57.48 1dck h ASP 59 Cb 0.57 0.07 -0.32 0.00 -0.56 0.00 0.00 39.33 39.10 1dck h ASP 59 CO -0.99 -0.11 -0.56 -0.32 -1.57 0.00 0.00 179.24 175.70 1dck s MET 60 N -5.65 0.13 0.85 3.56 0.00 -1.11 -5.11 119.30 111.97 1dck s MET 60 Ca -0.15 0.55 -0.12 0.00 0.00 0.00 0.00 55.69 55.98 1dck s MET 60 Cb 0.04 -0.15 0.10 0.00 0.00 0.00 0.00 34.83 34.82 1dck s MET 60 CO 0.63 -0.22 1.12 -1.54 0.00 0.00 0.00 175.02 175.00 1dck s SER 61 N 1.74 4.06 0.30 1.11 1.04 -1.17 -4.34 113.70 116.45 1dck s SER 61 Ca -0.04 1.14 0.03 0.00 0.48 0.00 0.00 55.95 57.56 1dck s SER 61 Cb -0.11 -1.80 0.49 0.00 0.10 0.00 0.00 66.02 64.69 1dck s SER 61 CO -0.07 -2.22 1.79 1.23 0.98 0.00 0.00 173.24 174.94 1dck h GLY 62 N -1.27 0.56 0.61 7.32 0.00 -0.77 -1.00 103.07 108.52 1dck h GLY 62 Ca -0.49 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.45 1dck h GLY 62 CO 0.61 0.36 -0.04 -2.08 0.00 0.00 0.00 176.54 175.39 1dck h VAL 63 N 0.47 1.13 -0.87 4.60 2.07 -1.87 -2.32 116.25 119.46 1dck h VAL 63 Ca 0.09 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.81 1dck h VAL 63 Cb 0.51 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 1dck h VAL 63 CO 0.03 0.21 0.57 -0.33 0.02 0.00 0.00 177.57 178.07 1dck h GLU 64 N -0.51 0.98 -0.40 1.57 3.07 -1.90 -1.08 114.58 116.31 1dck h GLU 64 Ca -0.01 -0.06 0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1dck h GLU 64 Cb 0.43 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1dck h GLU 64 CO 0.02 0.65 0.24 1.25 -1.40 0.00 0.00 179.01 179.77 1dck h LEU 65 N 1.01 0.40 -1.25 1.33 5.85 -1.09 -0.58 115.31 120.97 1dck h LEU 65 Ca 0.37 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 1dck h LEU 65 Cb 0.16 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1dck h LEU 65 CO -0.13 0.29 0.32 -0.07 -0.34 0.00 0.00 178.44 178.51 1dck h LEU 66 N 0.49 0.74 -0.48 2.25 3.38 -0.72 -0.65 115.31 120.32 1dck h LEU 66 Ca 0.15 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 1dck h LEU 66 Cb -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1dck h LEU 66 CO -0.06 0.61 -0.68 0.03 0.09 0.00 0.00 178.44 178.42 1dck h ARG 67 N 0.84 0.37 -0.40 1.13 3.08 -0.76 -2.58 114.38 116.06 1dck h ARG 67 Ca 0.21 -0.28 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 1dck h ARG 67 Cb 0.04 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1dck h ARG 67 CO -0.03 0.91 -0.30 -0.91 -1.07 0.00 0.00 179.97 178.57 1dck h ASN 68 N 0.26 0.90 -0.78 7.04 -0.26 -0.43 -2.35 115.58 119.96 1dck h ASN 68 Ca -0.02 -0.37 -0.02 0.00 -0.56 0.00 0.00 56.30 55.33 1dck h ASN 68 Cb 1.24 -0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 38.21 1dck h ASN 68 CO 0.11 1.13 0.42 -0.07 -1.06 0.00 0.00 177.43 177.96 1dck h LEU 69 N 0.73 0.98 -1.39 1.61 3.38 -1.09 -1.70 115.31 117.83 1dck h LEU 69 Ca 0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1dck h LEU 69 Cb 0.86 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1dck h LEU 69 CO 0.08 0.80 0.20 1.23 0.09 0.00 0.00 178.44 180.84 1dck h GLY 70 N 1.08 0.66 2.00 0.83 0.00 -1.20 -1.71 103.07 104.73 1dck h GLY 70 Ca 0.27 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 1dck h GLY 70 CO -0.04 0.29 -0.31 -0.55 0.00 0.00 0.00 176.54 175.92 1dck h ASP 71 N 0.62 0.00 -0.03 0.19 3.32 -0.79 -2.48 116.42 117.25 1dck h ASP 71 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1dck h ASP 71 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1dck h ASP 71 CO -0.02 0.31 0.00 0.18 -1.72 0.00 0.00 179.24 177.99 1dck n LEU 72 N -3.90 0.23 -2.60 1.55 4.77 -0.65 -4.87 117.00 111.53 1dck n LEU 72 Ca -0.02 -0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 55.65 1dck n LEU 72 Cb 0.39 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1dck n LEU 72 CO 0.36 0.05 -0.18 0.29 -1.33 0.00 0.00 177.39 176.59 1dck n LYS 73 N -0.50 -2.64 -5.08 3.23 4.76 -0.93 -4.98 118.16 112.02 1dck n LYS 73 Ca 0.07 0.92 -0.32 0.00 -2.87 0.00 0.00 58.31 56.12 1dck n LYS 73 Cb 0.07 -5.64 -0.14 0.00 -1.84 0.00 0.00 35.03 27.48 1dck n LYS 73 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1dck s ILE 74 N -3.03 2.57 -0.24 -0.18 -1.09 -1.17 -5.08 121.20 112.98 1dck s ILE 74 Ca 0.09 -0.93 0.02 0.00 -2.23 0.00 0.00 60.65 57.60 1dck s ILE 74 Cb -0.04 -1.96 0.05 0.00 -1.58 0.00 0.00 42.46 38.93 1dck s ILE 74 CO 0.11 0.57 -0.10 0.21 -1.23 0.00 0.00 174.94 174.51 1dck s ASN 75 N -0.71 4.01 -0.19 3.58 3.04 -1.26 -4.20 114.94 119.21 1dck s ASN 75 Ca 0.11 -1.20 0.01 0.00 0.04 0.00 0.00 52.86 51.82 1dck s ASN 75 Cb -0.10 -1.39 0.04 0.00 -1.54 0.00 0.00 41.25 38.25 1dck s ASN 75 CO -0.00 -0.18 -0.11 -0.63 -3.04 0.00 0.00 177.10 173.14 1dck s ILE 76 N 1.24 1.63 0.07 -5.21 1.01 -1.26 -5.05 121.20 113.63 1dck s ILE 76 Ca -0.06 -0.91 -0.36 0.00 0.00 0.00 0.00 60.65 59.32 1dck s ILE 76 Cb -0.19 -1.66 -0.15 0.00 0.01 0.00 0.00 42.46 40.48 1dck s ILE 76 CO -0.06 0.25 1.52 -2.65 0.00 0.00 0.00 174.94 174.00 1dck n PRO 77 N 4.71 1.65 -4.79 2.79 -0.02 -1.26 -4.74 135.00 133.34 1dck n PRO 77 Ca -0.15 0.60 -0.24 0.00 -2.02 0.00 0.00 63.50 61.68 1dck n PRO 77 Cb 0.47 -2.31 -0.15 0.00 -0.02 0.00 0.00 33.50 31.49 1dck n PRO 77 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1dck s SER 78 N 1.28 1.97 -0.13 2.55 0.01 -1.26 -0.83 113.70 117.29 1dck s SER 78 Ca 0.84 -0.31 -0.01 0.00 1.31 0.00 0.00 55.95 57.78 1dck s SER 78 Cb -0.83 -0.28 -0.02 0.00 0.21 0.00 0.00 66.02 65.10 1dck s SER 78 CO 0.45 0.19 -0.09 -0.63 0.41 0.00 0.00 173.24 173.58 1dck s ILE 79 N -0.31 3.47 -0.17 1.44 -1.09 0.07 -0.00 121.20 124.61 1dck s ILE 79 Ca 0.05 -0.52 -0.02 0.00 -2.23 0.00 0.00 60.65 57.92 1dck s ILE 79 Cb -0.07 -2.47 -0.01 0.00 -1.58 0.00 0.00 42.46 38.32 1dck s ILE 79 CO -0.00 0.53 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.45 1dck s VAL 80 N 0.12 3.22 -0.25 2.92 1.01 -0.23 -1.71 120.40 125.48 1dck s VAL 80 Ca -0.04 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 1dck s VAL 80 Cb -0.14 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1dck s VAL 80 CO 0.04 0.48 0.61 -0.63 0.00 0.00 0.00 175.10 175.60 1dck s ILE 81 N 0.82 5.00 0.16 2.22 1.01 0.38 -0.70 121.20 130.09 1dck s ILE 81 Ca -0.03 1.09 0.07 0.00 0.00 0.00 0.00 60.65 61.78 1dck s ILE 81 Cb -0.15 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1dck s ILE 81 CO 0.01 0.05 -0.01 0.42 0.00 0.00 0.00 174.94 175.41 1dck s THR 82 N 2.42 3.74 0.66 2.92 -4.23 0.56 -1.51 115.64 120.20 1dck s THR 82 Ca 0.25 -1.36 -0.18 0.00 -1.18 0.00 0.00 61.69 59.23 1dck s THR 82 Cb -0.16 -2.86 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 1dck s THR 82 CO 0.09 -0.07 1.22 0.61 -0.54 0.00 0.00 174.62 175.93 1dck n GLY 83 N 0.01 0.33 3.67 3.99 0.00 -1.26 -2.41 105.19 109.52 1dck n GLY 83 Ca -0.10 -0.18 -0.52 0.00 0.00 0.00 0.00 46.02 45.22 1dck n GLY 83 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1dck n HIS 84 N -2.03 2.10 -1.82 1.61 -0.00 -1.24 -1.52 115.22 112.32 1dck n HIS 84 Ca 0.15 0.32 -0.20 0.00 0.46 0.00 0.00 57.72 58.45 1dck n HIS 84 Cb 0.48 -2.52 -0.06 0.00 -0.12 0.00 0.00 29.99 27.76 1dck n HIS 84 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1dck n GLY 85 N 3.87 1.25 3.38 1.57 0.00 -1.26 -4.94 105.19 109.06 1dck n GLY 85 Ca 0.22 -0.03 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 1dck n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dck s ASP 86 N -2.58 6.57 0.05 1.61 -1.08 -0.57 -4.92 116.67 115.73 1dck s ASP 86 Ca 0.00 -2.15 -0.20 0.00 -0.52 0.00 0.00 52.55 49.67 1dck s ASP 86 Cb 0.00 -2.30 -0.13 0.00 -1.46 0.00 0.00 42.92 39.03 1dck s ASP 86 CO 0.00 -0.88 1.40 0.58 0.52 0.00 0.00 175.17 176.79 1dck h VAL 87 N 5.43 1.32 -0.82 1.11 2.07 -1.92 -3.10 116.25 120.34 1dck h VAL 87 Ca 0.02 -1.13 0.12 0.00 0.82 0.00 0.00 66.70 66.53 1dck h VAL 87 Cb 1.05 1.73 -0.08 0.00 -1.52 0.00 0.00 31.29 32.47 1dck h VAL 87 CO 0.96 0.33 0.43 -0.65 0.02 0.00 0.00 177.57 178.67 1dck h PRO 88 N -0.00 0.64 -0.41 1.57 0.11 -2.00 -1.64 132.00 130.27 1dck h PRO 88 Ca 0.03 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 1dck h PRO 88 Cb 0.56 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1dck h PRO 88 CO 0.02 0.43 0.12 0.52 -0.21 0.00 0.00 178.00 178.88 1dck h MET 89 N 0.66 0.64 -0.50 1.05 2.86 -1.99 -1.79 114.93 115.87 1dck h MET 89 Ca 0.43 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.89 1dck h MET 89 Cb 0.53 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1dck h MET 89 CO -0.32 0.64 0.18 0.00 1.06 0.00 0.00 176.91 178.47 1dck h ALA 90 N 0.97 0.65 -0.05 6.32 0.00 -1.32 -1.20 119.26 124.63 1dck h ALA 90 Ca 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1dck h ALA 90 Cb 0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1dck h ALA 90 CO -0.00 0.28 0.03 0.28 0.00 0.00 0.00 179.25 179.84 1dck h VAL 91 N 0.67 1.04 -0.69 0.00 2.07 -1.24 -1.46 116.25 116.64 1dck h VAL 91 Ca 0.16 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1dck h VAL 91 Cb 0.23 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1dck h VAL 91 CO -0.01 0.03 0.35 -0.33 0.02 0.00 0.00 177.57 177.63 1dck h GLU 92 N 0.03 0.98 -0.41 1.57 5.08 -1.26 -0.91 114.58 119.66 1dck h GLU 92 Ca 0.02 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1dck h GLU 92 Cb 0.03 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1dck h GLU 92 CO -0.00 0.74 0.13 0.00 -1.00 0.00 0.00 179.01 178.88 1dck h ALA 93 N 1.41 0.54 -0.61 3.43 0.00 -0.96 -0.74 119.26 122.32 1dck h ALA 93 Ca 0.24 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1dck h ALA 93 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1dck h ALA 93 CO -0.03 0.19 0.04 0.52 0.00 0.00 0.00 179.25 179.96 1dck h MET 94 N 0.52 1.06 0.00 0.00 2.86 -0.73 -2.33 114.93 116.30 1dck h MET 94 Ca 0.13 -0.32 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 1dck h MET 94 Cb 0.26 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1dck h MET 94 CO -0.00 1.02 -0.20 -0.22 1.06 0.00 0.00 176.91 178.56 1dck h LYS 95 N 0.96 0.00 -0.00 1.72 3.64 -1.04 -1.56 116.57 120.29 1dck h LYS 95 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1dck h LYS 95 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1dck h LYS 95 CO 0.02 0.20 0.00 0.00 -2.27 0.00 0.00 179.45 177.41 1dck n ALA 96 N -2.44 2.65 -0.02 5.00 0.00 -0.30 -4.90 120.51 120.51 1dck n ALA 96 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1dck n ALA 96 Cb 0.28 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1dck n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dck n GLY 97 N 0.90 0.78 3.76 0.00 0.00 -0.59 -4.78 105.19 105.26 1dck n GLY 97 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1dck n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dck s ALA 98 N -2.02 3.11 0.27 4.61 0.00 -1.04 -4.76 121.76 121.93 1dck s ALA 98 Ca 0.00 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.28 1dck s ALA 98 Cb 0.00 -3.53 0.36 0.00 0.00 0.00 0.00 23.12 19.95 1dck s ALA 98 CO 0.00 -1.07 1.70 0.28 0.00 0.00 0.00 175.76 176.67 1dck h VAL 99 N 2.09 1.27 -2.04 0.00 2.07 -0.78 -3.45 116.25 115.41 1dck h VAL 99 Ca -0.50 -1.28 0.21 0.00 0.82 0.00 0.00 66.70 65.95 1dck h VAL 99 Cb 1.27 1.31 -0.11 0.00 -1.52 0.00 0.00 31.29 32.24 1dck h VAL 99 CO 0.60 0.41 0.60 -0.62 0.02 0.00 0.00 177.57 178.58 1dck s ASP 100 N -6.80 -0.17 0.28 0.57 2.15 -1.22 -5.04 116.67 106.46 1dck s ASP 100 Ca -0.07 -0.26 0.11 0.00 0.43 0.00 0.00 52.55 52.76 1dck s ASP 100 Cb 0.14 0.37 -0.05 0.00 -0.30 0.00 0.00 42.92 43.07 1dck s ASP 100 CO 0.80 -0.67 -0.14 0.72 -0.17 0.00 0.00 175.17 175.71 1dck s PHE 101 N -2.98 2.40 -0.03 -5.34 -0.12 -1.26 -1.07 117.98 109.58 1dck s PHE 101 Ca 0.12 -0.32 -0.00 0.00 -0.05 0.00 0.00 56.93 56.68 1dck s PHE 101 Cb 0.00 -1.07 0.03 0.00 -0.63 0.00 0.00 43.02 41.35 1dck s PHE 101 CO -0.01 0.68 0.02 0.42 -0.05 0.00 0.00 175.22 176.28 1dck s ILE 102 N -2.47 0.03 -0.13 -4.49 -1.09 0.12 -4.87 121.20 108.30 1dck s ILE 102 Ca 0.31 0.20 -0.19 0.00 -2.23 0.00 0.00 60.65 58.74 1dck s ILE 102 Cb -0.05 -0.17 -0.04 0.00 -1.58 0.00 0.00 42.46 40.62 1dck s ILE 102 CO 0.16 0.13 0.52 -0.70 -1.23 0.00 0.00 174.94 173.82 1dck s GLU 103 N 1.26 4.33 0.19 2.79 2.12 -1.26 -0.32 118.70 127.80 1dck s GLU 103 Ca -0.07 0.50 -0.05 0.00 0.36 0.00 0.00 54.97 55.72 1dck s GLU 103 Cb -0.13 -3.46 -0.06 0.00 0.26 0.00 0.00 34.13 30.74 1dck s GLU 103 CO -0.03 0.09 0.44 -1.59 -0.54 0.00 0.00 175.26 173.62 1dck s LYS 104 N 0.84 3.63 0.65 4.30 -2.85 -1.01 -3.92 119.74 121.38 1dck s LYS 104 Ca 0.27 -0.06 -0.16 0.00 -1.00 0.00 0.00 55.97 55.03 1dck s LYS 104 Cb -0.15 -2.78 -0.00 0.00 -2.06 0.00 0.00 37.83 32.83 1dck s LYS 104 CO 0.11 0.39 1.13 -2.14 0.10 0.00 0.00 175.35 174.94 1dck s PRO 105 N -2.93 2.77 0.10 1.78 0.02 -1.26 -3.72 135.00 131.75 1dck s PRO 105 Ca 0.42 1.50 0.03 0.00 0.02 0.00 0.00 61.00 62.97 1dck s PRO 105 Cb -0.12 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 1dck s PRO 105 CO 0.26 -1.29 -0.08 -0.59 -0.33 0.00 0.00 177.00 174.96 1dck s PHE 106 N -2.18 0.98 0.09 6.54 -0.12 -1.25 -5.11 117.98 116.93 1dck s PHE 106 Ca 0.69 -0.78 -0.24 0.00 -0.05 0.00 0.00 56.93 56.55 1dck s PHE 106 Cb -0.23 -0.55 -0.07 0.00 -0.63 0.00 0.00 43.02 41.55 1dck s PHE 106 CO 0.40 -0.06 0.73 -2.00 -0.05 0.00 0.00 175.22 174.24 1dck s GLU 107 N -3.34 4.47 0.25 1.99 2.56 -1.26 -4.96 118.70 118.41 1dck s GLU 107 Ca 0.09 1.04 -0.03 0.00 0.00 0.00 0.00 54.97 56.07 1dck s GLU 107 Cb 0.01 -3.31 0.51 0.00 2.00 0.00 0.00 34.13 33.35 1dck s GLU 107 CO -0.02 0.45 1.69 -0.44 -0.56 0.00 0.00 175.26 176.38 1dck h ASP 108 N 5.00 0.11 -0.89 -1.70 3.32 -2.00 0.17 116.42 120.43 1dck h ASP 108 Ca -0.46 0.14 0.15 0.00 0.02 0.00 0.00 57.03 56.89 1dck h ASP 108 Cb 1.21 0.17 -0.07 0.00 0.22 0.00 0.00 39.33 40.86 1dck h ASP 108 CO 0.68 -0.01 0.57 0.74 -1.72 0.00 0.00 179.24 179.50 1dck h THR 109 N 0.32 0.81 -0.01 0.35 2.02 -1.98 0.23 112.91 114.64 1dck h THR 109 Ca 0.44 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.37 1dck h THR 109 Cb 0.77 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1dck h THR 109 CO -0.50 0.12 -0.12 0.58 0.37 0.00 0.00 175.52 175.97 1dck h VAL 110 N 0.64 1.54 -0.64 3.16 2.07 -1.07 -1.57 116.25 120.38 1dck h VAL 110 Ca 0.45 -1.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 1dck h VAL 110 Cb 0.78 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 33.18 1dck h VAL 110 CO -0.20 0.47 0.18 -0.29 0.02 0.00 0.00 177.57 177.75 1dck h ILE 111 N -0.56 1.24 -0.88 4.57 6.09 -1.01 -0.22 117.51 126.75 1dck h ILE 111 Ca -0.01 -0.86 -0.00 0.00 -1.37 0.00 0.00 64.86 62.61 1dck h ILE 111 Cb 0.83 0.55 -0.04 0.00 0.47 0.00 0.00 36.82 38.63 1dck h ILE 111 CO 0.02 0.33 0.53 0.40 -3.07 0.00 0.00 178.15 176.36 1dck h ILE 112 N 0.95 1.24 -0.45 2.19 2.04 -0.56 -0.16 117.51 122.76 1dck h ILE 112 Ca 0.21 -0.53 -0.14 0.00 1.00 0.00 0.00 64.86 65.40 1dck h ILE 112 Cb 0.30 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1dck h ILE 112 CO -0.01 0.25 -0.26 -0.08 0.00 0.00 0.00 178.15 178.06 1dck h GLU 113 N 1.21 0.97 -0.91 2.37 4.22 -0.66 -2.18 114.58 119.59 1dck h GLU 113 Ca 0.32 -0.44 -0.02 0.00 0.08 0.00 0.00 59.36 59.31 1dck h GLU 113 Cb -0.05 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1dck h GLU 113 CO -0.06 1.10 0.51 0.00 -2.18 0.00 0.00 179.01 178.38 1dck h ALA 114 N 0.87 1.18 -0.17 2.92 0.00 -0.44 -1.59 119.26 122.04 1dck h ALA 114 Ca 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1dck h ALA 114 Cb 0.84 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1dck h ALA 114 CO 0.07 0.67 0.02 0.82 0.00 0.00 0.00 179.25 180.83 1dck h ILE 115 N 1.28 1.23 -0.81 0.00 2.04 -0.88 -1.93 117.51 118.44 1dck h ILE 115 Ca 0.32 -0.74 0.12 0.00 1.00 0.00 0.00 64.86 65.56 1dck h ILE 115 Cb 0.01 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 1dck h ILE 115 CO -0.05 0.22 0.53 -0.33 0.00 0.00 0.00 178.15 178.52 1dck h GLU 116 N 0.06 0.62 -0.23 2.37 5.08 -1.16 -0.88 114.58 120.43 1dck h GLU 116 Ca 0.05 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1dck h GLU 116 Cb 0.32 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1dck h GLU 116 CO 0.00 0.41 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.33 1dck h ARG 117 N 0.64 0.41 -0.69 2.33 9.65 -1.03 -2.94 114.38 122.76 1dck h ARG 117 Ca 0.39 -0.14 -0.03 0.00 -1.10 0.00 0.00 59.98 59.11 1dck h ARG 117 Cb 0.62 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.14 1dck h ARG 117 CO -0.15 0.61 0.33 0.00 2.80 0.00 0.00 179.97 183.55 1dck h ALA 118 N 0.79 1.28 0.00 2.80 0.00 -0.49 -1.94 119.26 121.70 1dck h ALA 118 Ca 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1dck h ALA 118 Cb 0.42 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1dck h ALA 118 CO 0.01 0.56 -0.00 0.66 0.00 0.00 0.00 179.25 180.48 1dck h SER 119 N 0.98 0.00 0.12 0.00 4.64 -1.02 -0.40 113.55 117.88 1dck h SER 119 Ca 0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 1dck h SER 119 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1dck h SER 119 CO -0.03 0.00 -0.07 -0.33 -0.87 0.00 0.00 176.83 175.53 1dck h GLU 120 N 0.00 0.00 -0.00 4.77 5.08 -1.27 -2.22 114.58 120.94 1dck h GLU 120 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1dck h GLU 120 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1dck h GLU 120 CO 0.00 0.07 -0.07 0.72 -1.00 0.00 0.00 179.01 178.73 1dck n HIS 121 N -4.05 0.00 -2.40 4.33 8.25 -0.16 -4.84 115.22 116.36 1dck n HIS 121 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 1dck n HIS 121 Cb 0.15 -0.34 -0.04 0.00 1.12 0.00 0.00 29.99 30.89 1dck n HIS 121 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1dck s LEU 122 N -2.74 4.49 0.00 2.41 1.43 -0.84 -4.94 118.68 118.50 1dck s LEU 122 Ca 0.22 2.28 0.01 0.00 -1.03 0.00 0.00 54.13 55.61 1dck s LEU 122 Cb 0.20 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.86 1dck s LEU 122 CO 0.51 -0.28 0.56 0.55 0.23 0.00 0.00 176.35 177.92