#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 2.61 -0.61 2.12 0.74 -1.26 -5.08 119.66 118.17 1dck s GLN 2 Ca 0.00 -0.64 -0.21 0.00 0.05 0.00 0.00 55.36 54.55 1dck s GLN 2 Cb 0.00 -2.50 0.07 0.00 1.10 0.00 0.00 33.01 31.69 1dck s GLN 2 CO 0.00 0.63 0.86 0.34 -0.55 0.00 0.00 175.29 176.57 1dck s ASP 3 N -0.95 6.20 0.15 6.67 2.15 -1.26 -5.01 116.67 124.61 1dck s ASP 3 Ca 0.13 -1.03 -0.10 0.00 0.43 0.00 0.00 52.55 51.98 1dck s ASP 3 Cb -0.11 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1dck s ASP 3 CO 0.03 -1.28 0.29 -0.72 -0.17 0.00 0.00 175.17 173.33 1dck s TYR 4 N 3.54 0.24 -0.02 -5.34 1.13 -1.26 -4.91 117.35 110.73 1dck s TYR 4 Ca 0.19 -0.61 0.06 0.00 -1.41 0.00 0.00 57.07 55.30 1dck s TYR 4 Cb -0.19 0.01 -0.02 0.00 -1.10 0.00 0.00 41.96 40.66 1dck s TYR 4 CO 0.10 -0.70 -0.20 0.99 -2.51 0.00 0.00 175.55 173.24 1dck s THR 5 N -3.92 2.59 -0.30 -3.49 2.01 -0.37 -4.29 115.64 107.87 1dck s THR 5 Ca 0.12 -0.97 -0.14 0.00 0.31 0.00 0.00 61.69 61.02 1dck s THR 5 Cb 0.03 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 1dck s THR 5 CO -0.04 0.54 0.31 -0.69 -0.69 0.00 0.00 174.62 174.06 1dck s VAL 6 N -0.72 5.21 -0.18 3.82 1.01 -0.03 -0.32 120.40 129.20 1dck s VAL 6 Ca 0.11 0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 1dck s VAL 6 Cb -0.10 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1dck s VAL 6 CO 0.01 0.10 0.18 -1.00 0.00 0.00 0.00 175.10 174.39 1dck s HIS 7 N 1.95 3.45 -0.17 5.22 3.76 0.93 -1.50 115.29 128.93 1dck s HIS 7 Ca 0.11 0.43 -0.04 0.00 -0.15 0.00 0.00 55.06 55.41 1dck s HIS 7 Cb -0.16 -2.20 -0.03 0.00 1.11 0.00 0.00 32.58 31.30 1dck s HIS 7 CO 0.11 0.32 -0.02 0.42 -0.85 0.00 0.00 174.74 174.71 1dck s ILE 8 N 0.26 3.99 -0.10 0.60 -1.09 -0.23 -0.77 121.20 123.86 1dck s ILE 8 Ca 0.11 -0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 1dck s ILE 8 Cb -0.12 -2.77 0.02 0.00 -1.58 0.00 0.00 42.46 38.02 1dck s ILE 8 CO 0.00 0.47 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.42 1dck s VAL 9 N 0.51 1.03 -0.28 2.92 1.01 -0.53 -1.58 120.40 123.48 1dck s VAL 9 Ca -0.02 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 1dck s VAL 9 Cb -0.14 -1.02 0.09 0.00 0.00 0.00 0.00 36.38 35.30 1dck s VAL 9 CO 0.02 0.36 0.72 -0.62 0.00 0.00 0.00 175.10 175.59 1dck s ASP 10 N 1.48 -0.88 0.45 3.32 3.68 -1.26 -1.65 116.67 121.81 1dck s ASP 10 Ca 0.01 1.44 0.30 0.00 2.13 0.00 0.00 52.55 56.43 1dck s ASP 10 Cb -0.13 1.38 1.27 0.00 -1.45 0.00 0.00 42.92 43.98 1dck s ASP 10 CO -0.06 -0.23 1.90 -2.24 0.13 0.00 0.00 175.17 174.68 1dck h ASP 11 N 6.61 0.00 -3.12 -0.34 2.03 -1.91 -3.40 116.42 116.29 1dck h ASP 11 Ca -0.30 0.00 -0.72 0.00 -0.73 0.00 0.00 57.03 55.28 1dck h ASP 11 Cb 1.22 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.50 1dck h ASP 11 CO 0.15 0.00 -0.10 -1.61 -1.03 0.00 0.00 179.24 176.65 1dck s GLU 12 N -3.56 3.03 0.22 4.15 2.02 -1.26 -4.97 118.70 118.33 1dck s GLU 12 Ca 0.02 -1.35 -0.10 0.00 0.02 0.00 0.00 54.97 53.56 1dck s GLU 12 Cb 0.09 -4.21 0.33 0.00 0.10 0.00 0.00 34.13 30.44 1dck s GLU 12 CO 0.48 -1.29 1.66 1.49 0.02 0.00 0.00 175.26 177.62 1dck h GLU 13 N 8.96 0.12 0.00 1.61 4.81 -1.98 0.48 114.58 128.57 1dck h GLU 13 Ca -0.29 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 1dck h GLU 13 Cb 1.10 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1dck h GLU 13 CO 1.00 0.08 -0.25 -1.00 -0.73 0.00 0.00 179.01 178.11 1dck h PRO 14 N 0.12 0.00 -0.12 0.92 0.13 -1.96 -0.36 132.00 130.73 1dck h PRO 14 Ca 0.34 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.33 1dck h PRO 14 Cb 0.57 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.70 1dck h PRO 14 CO -0.56 0.25 -0.48 0.28 -0.23 0.00 0.00 178.00 177.26 1dck h VAL 15 N 0.00 1.36 -0.57 1.56 2.07 -1.48 -1.31 116.25 117.88 1dck h VAL 15 Ca -0.00 -1.78 0.08 0.00 0.82 0.00 0.00 66.70 65.82 1dck h VAL 15 Cb 0.46 2.13 -0.07 0.00 -1.52 0.00 0.00 31.29 32.30 1dck h VAL 15 CO 0.03 0.54 0.21 -0.09 0.02 0.00 0.00 177.57 178.28 1dck h ARG 16 N 0.15 0.38 -0.38 1.57 2.43 -0.68 -0.38 114.38 117.47 1dck h ARG 16 Ca -0.03 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 1dck h ARG 16 Cb 1.12 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1dck h ARG 16 CO 0.10 0.25 -0.27 0.87 -1.51 0.00 0.00 179.97 179.41 1dck h LYS 17 N 0.39 0.86 -0.46 0.20 1.57 -1.02 -2.22 116.57 115.89 1dck h LYS 17 Ca 0.28 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1dck h LYS 17 Cb 0.33 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1dck h LYS 17 CO -0.28 1.05 0.17 1.03 -0.57 0.00 0.00 179.45 180.85 1dck h SER 18 N 0.66 0.65 0.07 0.86 0.87 -0.82 -1.33 113.55 114.51 1dck h SER 18 Ca 0.07 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1dck h SER 18 Cb 0.85 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1dck h SER 18 CO 0.07 0.66 -0.04 0.25 -0.53 0.00 0.00 176.83 177.25 1dck h LEU 19 N 0.60 -0.08 -0.39 2.23 6.46 -1.04 -1.73 115.31 121.37 1dck h LEU 19 Ca 0.15 -0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.85 1dck h LEU 19 Cb 0.22 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 1dck h LEU 19 CO -0.01 0.05 0.14 0.00 -0.62 0.00 0.00 178.44 178.00 1dck h ALA 20 N 0.71 0.45 -0.68 1.25 0.00 -1.33 -1.07 119.26 118.58 1dck h ALA 20 Ca -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1dck h ALA 20 Cb 0.18 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1dck h ALA 20 CO 0.02 -0.25 0.26 0.74 0.00 0.00 0.00 179.25 180.02 1dck h PHE 21 N 0.30 1.05 -0.62 0.00 0.04 -1.18 -0.43 116.94 116.10 1dck h PHE 21 Ca 0.18 -0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.81 1dck h PHE 21 Cb 0.15 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 1dck h PHE 21 CO -0.14 0.83 0.20 1.98 -0.60 0.00 0.00 178.31 180.57 1dck h MET 22 N 0.98 0.96 -0.22 1.51 4.05 -0.89 -0.13 114.93 121.19 1dck h MET 22 Ca 0.23 -0.21 -0.17 0.00 -0.28 0.00 0.00 59.70 59.27 1dck h MET 22 Cb 0.23 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1dck h MET 22 CO -0.02 0.85 -0.55 -0.07 0.23 0.00 0.00 176.91 177.35 1dck h LEU 23 N 0.89 0.73 -0.58 3.39 3.38 -1.02 -2.28 115.31 119.82 1dck h LEU 23 Ca 0.20 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 1dck h LEU 23 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1dck h LEU 23 CO -0.01 1.14 -0.20 0.71 0.09 0.00 0.00 178.44 180.17 1dck h THR 24 N 0.50 1.27 -0.06 0.22 1.35 -0.86 -1.27 112.91 114.06 1dck h THR 24 Ca 0.01 -1.35 0.02 0.00 -0.55 0.00 0.00 66.41 64.54 1dck h THR 24 Cb 1.12 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1dck h THR 24 CO 0.11 0.46 0.09 0.24 -0.25 0.00 0.00 175.52 176.18 1dck h MET 25 N 0.81 0.00 -0.63 4.72 2.86 -0.86 -1.09 114.93 120.74 1dck h MET 25 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1dck h MET 25 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 1dck h MET 25 CO 0.06 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.12 1dck n ASN 26 N -3.62 5.03 0.00 1.22 3.02 -0.51 -4.95 115.26 115.44 1dck n ASN 26 Ca -0.01 -2.67 0.00 0.00 -0.03 0.00 0.00 54.58 51.87 1dck n ASN 26 Cb 0.18 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 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 0.81 0.86 3.84 7.41 0.00 -0.41 -5.05 105.19 112.65 1dck n GLY 27 Ca 0.25 0.00 -0.32 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 -3.24 3.37 -0.11 1.61 0.40 -1.00 -5.03 117.98 113.98 1dck s PHE 28 Ca 0.00 1.40 -0.27 0.00 -0.60 0.00 0.00 56.93 57.46 1dck s PHE 28 Cb 0.00 -2.70 -0.02 0.00 0.51 0.00 0.00 43.02 40.81 1dck s PHE 28 CO 0.00 -0.09 0.88 0.00 0.70 0.00 0.00 175.22 176.71 1dck s ALA 29 N -2.22 3.40 0.01 5.36 0.00 -1.26 -4.39 121.76 122.67 1dck s ALA 29 Ca 0.58 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.80 1dck s ALA 29 Cb -0.10 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 1dck s ALA 29 CO 0.20 -0.49 -0.13 0.08 0.00 0.00 0.00 175.76 175.42 1dck s VAL 30 N 1.72 0.99 -0.07 0.00 1.01 -1.26 -0.85 120.40 121.94 1dck s VAL 30 Ca 0.43 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1dck s VAL 30 Cb -0.18 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.36 1dck s VAL 30 CO 0.17 0.15 -0.07 -0.75 0.00 0.00 0.00 175.10 174.60 1dck s LYS 31 N -0.63 1.24 -0.04 2.72 2.20 -0.56 -4.93 119.74 119.74 1dck s LYS 31 Ca 0.03 -0.22 -0.12 0.00 -0.36 0.00 0.00 55.97 55.30 1dck s LYS 31 Cb -0.06 -1.19 -0.05 0.00 -1.51 0.00 0.00 37.83 35.02 1dck s LYS 31 CO 0.00 -0.10 0.32 -1.64 -0.36 0.00 0.00 175.35 173.57 1dck s MET 32 N 1.08 3.75 0.07 4.03 -1.94 -1.26 -1.07 119.30 123.96 1dck s MET 32 Ca -0.08 0.22 0.07 0.00 -1.71 0.00 0.00 55.69 54.20 1dck s MET 32 Cb -0.14 -3.21 -0.04 0.00 2.01 0.00 0.00 34.83 33.46 1dck s MET 32 CO -0.01 0.72 -0.17 -1.01 -0.01 0.00 0.00 175.02 174.55 1dck s HIS 33 N -1.07 2.59 0.40 -0.03 0.09 -0.61 -4.92 115.29 111.73 1dck s HIS 33 Ca 0.21 -0.24 0.11 0.00 -0.00 0.00 0.00 55.06 55.15 1dck s HIS 33 Cb -0.15 -1.43 0.83 0.00 -0.00 0.00 0.00 32.58 31.83 1dck s HIS 33 CO 0.10 0.32 1.92 1.96 -0.00 0.00 0.00 174.74 179.04 1dck h GLN 34 N 4.19 0.12 -2.19 1.40 4.20 -1.95 -3.43 115.11 117.46 1dck h GLN 34 Ca -0.49 -0.03 0.21 0.00 0.06 0.00 0.00 58.65 58.40 1dck h GLN 34 Cb 1.16 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.85 1dck h GLN 34 CO 0.48 0.32 0.58 -1.54 -0.67 0.00 0.00 178.83 178.00 1dck s SER 35 N -6.93 -0.12 0.23 1.46 1.04 -1.26 -4.92 113.70 103.20 1dck s SER 35 Ca -0.04 -0.40 -0.06 0.00 0.48 0.00 0.00 55.95 55.93 1dck s SER 35 Cb 0.15 0.42 0.22 0.00 0.10 0.00 0.00 66.02 66.91 1dck s SER 35 CO 0.72 -0.79 1.76 0.00 0.98 0.00 0.00 173.24 175.91 1dck h ALA 36 N 2.00 1.05 -0.19 5.32 0.00 -1.91 -1.44 119.26 124.09 1dck h ALA 36 Ca -0.26 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 1dck h ALA 36 Cb 1.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1dck h ALA 36 CO 0.28 0.63 -0.36 1.49 0.00 0.00 0.00 179.25 181.29 1dck h GLU 37 N 1.01 0.40 -0.36 0.00 4.22 -1.96 0.60 114.58 118.49 1dck h GLU 37 Ca 0.22 -0.18 -0.12 0.00 0.08 0.00 0.00 59.36 59.36 1dck h GLU 37 Cb 0.33 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1dck h GLU 37 CO -0.00 0.70 -0.25 0.00 -2.18 0.00 0.00 179.01 177.28 1dck h ALA 38 N 1.29 0.51 -0.19 2.92 0.00 -1.82 -1.79 119.26 120.17 1dck h ALA 38 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1dck h ALA 38 Cb 0.79 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1dck h ALA 38 CO 0.06 0.51 0.06 0.35 0.00 0.00 0.00 179.25 180.22 1dck h PHE 39 N 0.59 0.31 -0.96 0.00 3.57 -1.10 -1.48 116.94 117.87 1dck h PHE 39 Ca 0.07 -0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.72 1dck h PHE 39 Cb 0.81 -0.09 -0.09 0.00 2.79 0.00 0.00 35.95 39.37 1dck h PHE 39 CO 0.06 0.41 0.61 1.25 -2.23 0.00 0.00 178.31 178.41 1dck h LEU 40 N 0.13 0.67 -0.35 0.59 7.12 -0.75 0.43 115.31 123.16 1dck h LEU 40 Ca 0.06 0.07 -0.14 0.00 0.13 0.00 0.00 57.88 58.00 1dck h LEU 40 Cb 0.24 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 1dck h LEU 40 CO -0.00 0.27 -0.32 0.00 -0.13 0.00 0.00 178.44 178.26 1dck h ALA 41 N 1.62 0.51 0.00 1.25 0.00 -1.02 -3.13 119.26 118.48 1dck h ALA 41 Ca 0.52 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1dck h ALA 41 Cb 0.93 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1dck h ALA 41 CO -0.28 0.56 -0.29 0.35 0.00 0.00 0.00 179.25 179.59 1dck h PHE 42 N 0.62 0.00 -0.99 0.00 3.57 -0.23 -3.39 116.94 116.53 1dck h PHE 42 Ca 0.06 0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.90 1dck h PHE 42 Cb 0.90 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 39.48 1dck h PHE 42 CO 0.07 0.29 0.47 0.00 -2.23 0.00 0.00 178.31 176.90 1dck h ALA 43 N 1.71 1.88 0.00 2.41 0.00 -0.13 0.84 119.26 125.97 1dck h ALA 43 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1dck h ALA 43 Cb 1.13 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1dck h ALA 43 CO 0.04 -0.70 0.00 -1.35 0.00 0.00 0.00 179.25 177.24 1dck h PRO 44 N 0.16 0.00 -0.01 0.00 0.11 -1.79 -2.57 132.00 127.90 1dck h PRO 44 Ca 0.74 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.85 1dck h PRO 44 Cb 1.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.89 1dck h PRO 44 CO -0.70 0.00 -0.16 -0.25 -0.21 0.00 0.00 178.00 176.68 1dck n ASP 45 N -2.99 1.54 -4.70 -2.05 8.00 0.28 -4.90 116.55 111.73 1dck n ASP 45 Ca -0.01 -1.31 -0.42 0.00 0.71 0.00 0.00 54.79 53.76 1dck n ASP 45 Cb 0.19 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 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 -2.26 3.90 -0.20 2.53 1.01 -0.97 -5.00 120.40 119.40 1dck s VAL 46 Ca 0.29 1.31 -0.00 0.00 0.00 0.00 0.00 61.98 63.58 1dck s VAL 46 Cb 0.20 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1dck s VAL 46 CO 0.43 0.04 -0.15 -0.13 0.00 0.00 0.00 175.10 175.30 1dck s ARG 47 N 1.79 2.99 -0.83 2.72 1.81 -1.26 -4.81 118.95 121.36 1dck s ARG 47 Ca 0.60 -0.84 -0.03 0.00 -1.72 0.00 0.00 55.73 53.74 1dck s ARG 47 Cb -0.30 -2.73 -0.01 0.00 -0.45 0.00 0.00 34.95 31.47 1dck s ARG 47 CO 0.27 -0.25 0.70 0.09 -0.68 0.00 0.00 175.30 175.42 1dck n ASN 48 N 4.65 -6.68 -4.18 0.23 3.02 -1.26 -4.68 115.26 106.36 1dck n ASN 48 Ca -0.19 -0.46 -0.16 0.00 -0.03 0.00 0.00 54.58 53.73 1dck n ASN 48 Cb 0.49 -4.15 -0.11 0.00 -0.61 0.00 0.00 39.78 35.40 1dck n ASN 48 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1dck s GLY 49 N -3.08 0.89 0.11 7.41 0.00 -1.26 -1.24 107.32 110.15 1dck s GLY 49 Ca 0.09 -1.14 0.09 0.00 0.00 0.00 0.00 44.72 43.76 1dck s GLY 49 CO 0.80 -1.19 -0.16 0.14 0.00 0.00 0.00 173.10 172.68 1dck s VAL 50 N -1.98 2.94 -0.07 1.40 1.01 0.56 -4.24 120.40 120.03 1dck s VAL 50 Ca 0.03 -1.45 0.03 0.00 0.00 0.00 0.00 61.98 60.59 1dck s VAL 50 Cb -0.06 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1dck s VAL 50 CO 0.01 0.11 -0.14 -0.22 0.00 0.00 0.00 175.10 174.86 1dck s LEU 51 N -2.13 2.73 -0.21 3.92 2.96 -0.35 -0.05 118.68 125.55 1dck s LEU 51 Ca 0.18 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1dck s LEU 51 Cb -0.11 -1.57 0.05 0.00 0.50 0.00 0.00 46.19 45.06 1dck s LEU 51 CO 0.11 0.30 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.65 1dck s VAL 52 N -0.46 1.72 0.06 1.68 1.01 0.05 -0.39 120.40 124.07 1dck s VAL 52 Ca 0.06 -1.13 0.05 0.00 0.00 0.00 0.00 61.98 60.96 1dck s VAL 52 Cb -0.12 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1dck s VAL 52 CO 0.02 0.12 -0.14 0.28 0.00 0.00 0.00 175.10 175.38 1dck s THR 53 N 1.35 1.10 0.44 3.92 -1.32 -0.32 -1.45 115.64 119.36 1dck s THR 53 Ca -0.03 -1.16 -0.20 0.00 -1.21 0.00 0.00 61.69 59.09 1dck s THR 53 Cb -0.17 -1.03 -0.10 0.00 -1.51 0.00 0.00 72.50 69.68 1dck s THR 53 CO -0.08 -0.12 0.96 -0.62 -2.21 0.00 0.00 174.62 172.55 1dck s ASP 54 N -1.46 6.87 -0.15 8.08 2.15 -0.66 -0.75 116.67 130.75 1dck s ASP 54 Ca -0.00 1.68 -0.16 0.00 0.43 0.00 0.00 52.55 54.50 1dck s ASP 54 Cb -0.09 -2.54 -0.13 0.00 -0.30 0.00 0.00 42.92 39.86 1dck s ASP 54 CO 0.02 -0.41 0.22 -0.07 -0.17 0.00 0.00 175.17 174.76 1dck h LEU 55 N 1.76 0.00 -8.26 -1.34 3.38 -1.78 -3.27 115.31 105.80 1dck h LEU 55 Ca -0.49 -0.41 -0.57 0.00 0.09 0.00 0.00 57.88 56.49 1dck h LEU 55 Cb 1.18 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.84 1dck h LEU 55 CO 0.61 1.00 1.12 -0.13 0.09 0.00 0.00 178.44 181.13 1dck s ARG 56 N -2.14 3.32 -0.04 1.13 0.52 -1.26 -0.84 118.95 119.64 1dck s ARG 56 Ca -0.17 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.41 1dck s ARG 56 Cb 0.02 -4.56 0.03 0.00 0.52 0.00 0.00 34.95 30.95 1dck s ARG 56 CO 0.41 -2.11 -0.01 -1.64 0.02 0.00 0.00 175.30 171.97 1dck s MET 57 N 5.20 0.42 0.19 3.54 -1.94 -1.26 -4.83 119.30 120.61 1dck s MET 57 Ca 0.37 0.05 -0.13 0.00 -1.71 0.00 0.00 55.69 54.27 1dck s MET 57 Cb -0.07 -0.59 0.19 0.00 2.01 0.00 0.00 34.83 36.37 1dck s MET 57 CO 0.06 -0.14 1.72 -1.00 -0.01 0.00 0.00 175.02 175.65 1dck h PRO 58 N 7.36 0.25 0.12 2.03 0.13 -1.99 -3.06 132.00 136.83 1dck h PRO 58 Ca -0.39 -0.02 -0.29 0.00 -0.87 0.00 0.00 66.00 64.43 1dck h PRO 58 Cb 1.14 -0.06 0.03 0.00 0.13 0.00 0.00 31.00 32.23 1dck h PRO 58 CO 0.45 0.17 -1.24 -0.44 -0.23 0.00 0.00 178.00 176.71 1dck h ASP 59 N 0.26 0.81 -2.04 1.44 3.32 -2.01 -3.43 116.42 114.77 1dck h ASP 59 Ca 0.25 -0.75 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 1dck h ASP 59 Cb 0.32 -0.25 -0.27 0.00 0.22 0.00 0.00 39.33 39.34 1dck h ASP 59 CO -0.31 1.56 -0.39 -0.32 -1.72 0.00 0.00 179.24 178.07 1dck s MET 60 N -2.95 0.38 0.94 3.56 1.75 -1.24 -5.09 119.30 116.64 1dck s MET 60 Ca -0.08 0.85 -0.12 0.00 -1.25 0.00 0.00 55.69 55.09 1dck s MET 60 Cb 0.06 0.06 0.15 0.00 2.84 0.00 0.00 34.83 37.94 1dck s MET 60 CO 0.92 -0.45 1.09 -1.54 -0.65 0.00 0.00 175.02 174.39 1dck s SER 61 N 2.64 3.08 0.27 1.11 1.04 -1.16 -4.58 113.70 116.11 1dck s SER 61 Ca 0.07 1.50 -0.03 0.00 0.48 0.00 0.00 55.95 57.97 1dck s SER 61 Cb -0.14 -2.17 0.35 0.00 0.10 0.00 0.00 66.02 64.16 1dck s SER 61 CO -0.15 -2.89 1.88 1.23 0.98 0.00 0.00 173.24 174.29 1dck h GLY 62 N -1.72 1.13 1.09 7.32 0.00 -1.04 -1.25 103.07 108.61 1dck h GLY 62 Ca -0.51 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 46.21 1dck h GLY 62 CO 0.54 0.51 0.07 -2.08 0.00 0.00 0.00 176.54 175.57 1dck h VAL 63 N 1.06 1.26 -0.60 4.60 2.07 -1.87 -1.21 116.25 121.56 1dck h VAL 63 Ca 0.26 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 1dck h VAL 63 Cb 0.08 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1dck h VAL 63 CO -0.04 0.40 0.16 -0.33 0.02 0.00 0.00 177.57 177.78 1dck h GLU 64 N 1.02 0.92 -0.31 1.57 5.08 -1.84 -0.61 114.58 120.41 1dck h GLU 64 Ca 0.19 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1dck h GLU 64 Cb 0.49 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1dck h GLU 64 CO 0.02 0.81 0.12 1.25 -1.00 0.00 0.00 179.01 180.21 1dck h LEU 65 N 0.89 0.43 -0.82 1.33 5.85 -0.75 -1.13 115.31 121.11 1dck h LEU 65 Ca 0.19 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1dck h LEU 65 Cb 0.30 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1dck h LEU 65 CO -0.00 0.48 0.36 -0.07 -0.34 0.00 0.00 178.44 178.87 1dck h LEU 66 N 0.35 1.10 -0.67 2.25 3.38 -0.82 -0.31 115.31 120.59 1dck h LEU 66 Ca 0.10 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1dck h LEU 66 Cb 0.19 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1dck h LEU 66 CO -0.01 0.95 0.18 0.03 0.09 0.00 0.00 178.44 179.68 1dck h ARG 67 N 1.18 1.07 -0.69 1.13 3.08 -0.84 -0.13 114.38 119.17 1dck h ARG 67 Ca 0.28 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1dck h ARG 67 Cb 0.16 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1dck h ARG 67 CO -0.03 0.94 0.32 -0.91 -1.07 0.00 0.00 179.97 179.22 1dck h ASN 68 N 1.00 0.92 -0.45 7.04 4.21 -0.77 -0.72 115.58 126.80 1dck h ASN 68 Ca 0.21 -0.14 -0.12 0.00 1.21 0.00 0.00 56.30 57.46 1dck h ASN 68 Cb 0.34 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.29 1dck h ASN 68 CO -0.00 0.81 -0.15 -0.07 -1.29 0.00 0.00 177.43 176.73 1dck h LEU 69 N 0.97 0.95 -0.66 1.61 3.38 -0.84 -2.93 115.31 117.80 1dck h LEU 69 Ca 0.24 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1dck h LEU 69 Cb 0.14 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1dck h LEU 69 CO -0.03 1.09 0.39 1.23 0.09 0.00 0.00 178.44 181.21 1dck h GLY 70 N 0.94 0.96 0.67 0.83 0.00 -0.23 -2.32 103.07 103.91 1dck h GLY 70 Ca 0.12 -0.28 0.07 0.00 0.00 0.00 0.00 47.33 47.25 1dck h GLY 70 CO 0.05 0.20 0.58 -0.55 0.00 0.00 0.00 176.54 176.82 1dck h ASP 71 N 0.73 0.90 0.38 0.19 3.32 -0.98 -2.11 116.42 118.85 1dck h ASP 71 Ca 0.28 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1dck h ASP 71 Cb 0.11 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1dck h ASP 71 CO -0.14 0.56 0.00 0.18 -1.72 0.00 0.00 179.24 178.11 1dck n LEU 72 N -4.60 0.00 -1.96 1.55 4.77 -0.88 -4.85 117.00 111.04 1dck n LEU 72 Ca 0.14 0.34 -0.17 0.00 -0.03 0.00 0.00 56.01 56.30 1dck n LEU 72 Cb 0.21 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1dck n LEU 72 CO 0.30 -0.16 -0.18 2.29 -1.33 0.00 0.00 177.39 178.32 1dck n LYS 73 N -1.34 -1.71 -3.68 3.23 -0.00 -0.79 -4.98 118.16 108.87 1dck n LYS 73 Ca 0.07 0.78 -0.36 0.00 -0.00 0.00 0.00 58.31 58.80 1dck n LYS 73 Cb 0.15 -5.21 -0.07 0.00 -0.00 0.00 0.00 35.03 29.90 1dck n LYS 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1dck s ILE 74 N -2.85 5.37 -0.54 0.58 1.01 -1.22 -5.06 121.20 118.49 1dck s ILE 74 Ca 0.04 0.34 -0.17 0.00 0.00 0.00 0.00 60.65 60.86 1dck s ILE 74 Cb -0.02 -3.52 0.11 0.00 0.01 0.00 0.00 42.46 39.05 1dck s ILE 74 CO 0.05 0.47 0.53 0.21 0.00 0.00 0.00 174.94 176.20 1dck s ASN 75 N 0.05 6.18 -0.35 3.58 3.04 -1.26 -4.66 114.94 121.52 1dck s ASN 75 Ca 0.13 -1.63 0.00 0.00 0.04 0.00 0.00 52.86 51.41 1dck s ASN 75 Cb -0.12 -2.23 0.11 0.00 -1.54 0.00 0.00 41.25 37.47 1dck s ASN 75 CO 0.02 -0.89 0.14 -0.63 -3.04 0.00 0.00 177.10 172.70 1dck s ILE 76 N 1.87 1.03 0.23 -5.21 1.01 -1.26 -4.87 121.20 114.01 1dck s ILE 76 Ca 0.05 -1.75 -0.31 0.00 0.00 0.00 0.00 60.65 58.65 1dck s ILE 76 Cb -0.28 -1.77 -0.14 0.00 0.01 0.00 0.00 42.46 40.29 1dck s ILE 76 CO 0.04 -0.74 1.23 -2.65 0.00 0.00 0.00 174.94 172.82 1dck n PRO 77 N 4.46 1.58 -4.46 2.79 -0.02 -1.26 -4.70 135.00 133.38 1dck n PRO 77 Ca 0.02 0.56 -0.22 0.00 -2.02 0.00 0.00 63.50 61.83 1dck n PRO 77 Cb 0.40 -2.10 -0.14 0.00 -0.02 0.00 0.00 33.50 31.65 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 -0.03 2.00 -0.07 2.55 0.01 -1.26 -1.21 113.70 115.69 1dck s SER 78 Ca 0.67 -0.49 0.05 0.00 1.31 0.00 0.00 55.95 57.50 1dck s SER 78 Cb -0.73 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 65.34 1dck s SER 78 CO 0.53 0.08 -0.24 -0.63 0.41 0.00 0.00 173.24 173.40 1dck s ILE 79 N -0.84 2.13 -0.11 1.44 -1.09 0.48 0.31 121.20 123.52 1dck s ILE 79 Ca 0.04 -1.03 0.02 0.00 -2.23 0.00 0.00 60.65 57.44 1dck s ILE 79 Cb -0.08 -1.78 -0.01 0.00 -1.58 0.00 0.00 42.46 39.00 1dck s ILE 79 CO 0.02 0.57 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.44 1dck s VAL 80 N -0.09 2.77 -0.23 2.92 1.01 -0.52 -1.17 120.40 125.09 1dck s VAL 80 Ca -0.06 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 1dck s VAL 80 Cb -0.14 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1dck s VAL 80 CO 0.04 0.54 0.10 -0.63 0.00 0.00 0.00 175.10 175.16 1dck s ILE 81 N 0.16 4.78 0.12 2.22 1.01 0.07 -0.70 121.20 128.86 1dck s ILE 81 Ca -0.09 -0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.62 1dck s ILE 81 Cb -0.15 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 1dck s ILE 81 CO 0.05 0.36 -0.13 0.28 0.00 0.00 0.00 174.94 175.50 1dck s THR 82 N 1.16 3.11 0.89 2.92 -1.32 -0.32 -2.09 115.64 119.99 1dck s THR 82 Ca 0.05 -1.44 -0.10 0.00 -1.21 0.00 0.00 61.69 58.99 1dck s THR 82 Cb -0.14 -2.46 0.13 0.00 -1.51 0.00 0.00 72.50 68.52 1dck s THR 82 CO 0.04 0.06 1.13 -0.83 -2.21 0.00 0.00 174.62 172.81 1dck s GLY 83 N -2.30 1.68 -0.24 6.08 0.00 -1.26 -1.52 107.32 109.75 1dck s GLY 83 Ca 0.21 0.48 -0.28 0.00 0.00 0.00 0.00 44.72 45.12 1dck s GLY 83 CO 0.12 0.89 1.95 -1.58 0.00 0.00 0.00 173.10 174.49 1dck s HIS 84 N -2.70 1.55 0.00 1.90 2.46 -1.21 -1.91 115.29 115.37 1dck s HIS 84 Ca 0.66 0.49 0.00 0.00 0.47 0.00 0.00 55.06 56.68 1dck s HIS 84 Cb -0.22 -4.04 0.00 0.00 -0.13 0.00 0.00 32.58 28.20 1dck s HIS 84 CO 0.58 -3.60 0.00 0.41 -2.47 0.00 0.00 174.74 169.66 1dck n GLY 85 N 5.39 0.89 3.59 1.59 0.00 -1.26 -5.00 105.19 110.38 1dck n GLY 85 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.02 6.43 -0.19 1.61 3.68 -0.80 -4.91 116.67 119.46 1dck s ASP 86 Ca 0.00 0.44 -0.16 0.00 2.13 0.00 0.00 52.55 54.96 1dck s ASP 86 Cb 0.00 -2.55 -0.11 0.00 -1.45 0.00 0.00 42.92 38.81 1dck s ASP 86 CO 0.00 -1.43 -0.06 0.52 0.13 0.00 0.00 175.17 174.33 1dck n VAL 87 N 6.88 1.49 -0.18 1.11 0.31 -1.26 -4.45 118.33 122.23 1dck n VAL 87 Ca 0.12 0.02 -0.05 0.00 -0.01 0.00 0.00 64.34 64.42 1dck n VAL 87 Cb 0.49 -2.16 0.01 0.00 -0.91 0.00 0.00 33.84 31.27 1dck n VAL 87 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1dck h PRO 88 N -1.00 -0.14 -0.19 5.55 0.11 -2.00 -2.29 132.00 132.03 1dck h PRO 88 Ca -0.25 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.83 1dck h PRO 88 Cb 1.06 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1dck h PRO 88 CO -0.15 -0.10 -0.04 0.52 -0.21 0.00 0.00 178.00 178.02 1dck h MET 89 N -0.15 0.29 0.30 1.05 2.86 -1.99 -1.06 114.93 116.23 1dck h MET 89 Ca 0.23 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1dck h MET 89 Cb 0.53 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1dck h MET 89 CO -0.64 0.35 -0.14 0.00 1.06 0.00 0.00 176.91 177.54 1dck h ALA 90 N 1.68 -0.40 -0.61 6.32 0.00 -1.64 0.80 119.26 125.42 1dck h ALA 90 Ca 0.06 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1dck h ALA 90 Cb 0.27 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1dck h ALA 90 CO 0.01 -0.68 0.35 0.28 0.00 0.00 0.00 179.25 179.21 1dck h VAL 91 N -0.49 1.01 -0.23 0.00 2.07 -1.15 -1.43 116.25 116.03 1dck h VAL 91 Ca -0.04 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1dck h VAL 91 Cb 0.37 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1dck h VAL 91 CO 0.07 0.12 -0.12 -0.08 0.02 0.00 0.00 177.57 177.58 1dck h GLU 92 N 0.67 0.38 -0.32 1.57 4.81 -1.01 -1.77 114.58 118.91 1dck h GLU 92 Ca 0.26 -0.10 -0.14 0.00 -0.13 0.00 0.00 59.36 59.26 1dck h GLU 92 Cb 0.10 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1dck h GLU 92 CO -0.14 0.51 -0.33 0.00 -0.73 0.00 0.00 179.01 178.32 1dck h ALA 93 N 1.52 0.47 -0.37 2.92 0.00 -0.12 -0.15 119.26 123.52 1dck h ALA 93 Ca 0.07 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1dck h ALA 93 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1dck h ALA 93 CO 0.02 0.52 0.03 0.52 0.00 0.00 0.00 179.25 180.34 1dck h MET 94 N 0.55 0.57 0.00 0.00 2.86 -1.00 -1.20 114.93 116.71 1dck h MET 94 Ca 0.05 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 1dck h MET 94 Cb 0.91 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 1dck h MET 94 CO 0.08 0.58 -0.53 -0.22 1.06 0.00 0.00 176.91 177.88 1dck h LYS 95 N 0.55 0.00 -0.01 1.72 3.64 -0.98 -2.74 116.57 118.75 1dck h LYS 95 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1dck h LYS 95 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1dck h LYS 95 CO 0.01 0.53 0.00 0.00 -2.27 0.00 0.00 179.45 177.72 1dck n ALA 96 N -2.42 2.64 0.00 5.00 0.00 -0.10 -4.89 120.51 120.75 1dck n ALA 96 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1dck n ALA 96 Cb 0.55 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.92 0.78 3.74 0.00 0.00 -1.03 -4.69 105.19 104.91 1dck n GLY 97 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1dck n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dck n ALA 98 N -1.52 1.68 -0.16 4.61 0.00 -0.88 -4.75 120.51 119.48 1dck n ALA 98 Ca 0.00 0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.54 1dck n ALA 98 Cb 0.00 -2.34 -0.00 0.00 0.00 0.00 0.00 19.45 17.11 1dck n ALA 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dck h VAL 99 N 1.97 1.27 -2.09 0.00 2.07 -0.50 -3.45 116.25 115.52 1dck h VAL 99 Ca -0.50 -1.39 0.21 0.00 0.82 0.00 0.00 66.70 65.84 1dck h VAL 99 Cb 1.29 1.13 -0.10 0.00 -1.52 0.00 0.00 31.29 32.09 1dck h VAL 99 CO 0.59 0.48 0.58 -0.62 0.02 0.00 0.00 177.57 178.63 1dck s ASP 100 N -6.73 -0.17 0.28 0.57 2.15 -1.23 -5.06 116.67 106.47 1dck s ASP 100 Ca -0.11 -0.28 0.11 0.00 0.43 0.00 0.00 52.55 52.69 1dck s ASP 100 Cb 0.12 0.39 -0.05 0.00 -0.30 0.00 0.00 42.92 43.08 1dck s ASP 100 CO 0.87 -0.71 -0.14 0.72 -0.17 0.00 0.00 175.17 175.74 1dck s PHE 101 N -3.03 2.40 -0.04 -5.34 -0.12 -1.26 -1.44 117.98 109.16 1dck s PHE 101 Ca 0.12 -0.31 0.00 0.00 -0.05 0.00 0.00 56.93 56.69 1dck s PHE 101 Cb 0.00 -1.06 0.03 0.00 -0.63 0.00 0.00 43.02 41.35 1dck s PHE 101 CO -0.01 0.69 -0.00 0.42 -0.05 0.00 0.00 175.22 176.27 1dck s ILE 102 N -2.47 0.23 -0.19 -4.49 1.01 0.12 -4.91 121.20 110.50 1dck s ILE 102 Ca 0.31 0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.92 1dck s ILE 102 Cb -0.05 -0.33 -0.05 0.00 0.01 0.00 0.00 42.46 42.05 1dck s ILE 102 CO 0.16 0.17 0.20 -0.70 0.00 0.00 0.00 174.94 174.77 1dck s GLU 103 N 1.14 4.20 0.39 2.79 2.12 -1.26 -1.18 118.70 126.90 1dck s GLU 103 Ca -0.08 -0.11 -0.24 0.00 0.36 0.00 0.00 54.97 54.90 1dck s GLU 103 Cb -0.13 -3.44 -0.09 0.00 0.26 0.00 0.00 34.13 30.72 1dck s GLU 103 CO -0.02 0.23 1.02 0.15 -0.54 0.00 0.00 175.26 176.10 1dck s LYS 104 N 0.53 4.23 0.26 4.30 1.02 -0.58 -3.66 119.74 125.85 1dck s LYS 104 Ca 0.11 1.43 -0.27 0.00 0.02 0.00 0.00 55.97 57.26 1dck s LYS 104 Cb -0.12 -2.52 -0.09 0.00 -0.52 0.00 0.00 37.83 34.57 1dck s LYS 104 CO 0.01 -0.07 0.91 -1.25 -0.92 0.00 0.00 175.35 174.03 1dck s PRO 105 N -2.53 4.68 0.10 -1.68 0.04 -1.26 -3.36 135.00 130.99 1dck s PRO 105 Ca 0.57 1.35 0.09 0.00 0.04 0.00 0.00 61.00 63.05 1dck s PRO 105 Cb -0.20 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 1dck s PRO 105 CO 0.25 0.43 -0.22 -0.59 0.04 0.00 0.00 177.00 176.90 1dck s PHE 106 N -1.37 1.91 0.68 0.56 -0.12 -1.24 -5.12 117.98 113.29 1dck s PHE 106 Ca 0.44 -0.40 -0.11 0.00 -0.05 0.00 0.00 56.93 56.80 1dck s PHE 106 Cb -0.22 -1.06 -0.00 0.00 -0.63 0.00 0.00 43.02 41.11 1dck s PHE 106 CO 0.27 0.21 1.08 -1.83 -0.05 0.00 0.00 175.22 174.91 1dck s GLU 107 N -1.81 3.05 0.17 1.99 1.03 -1.26 -4.98 118.70 116.89 1dck s GLU 107 Ca 0.08 0.55 -0.13 0.00 0.03 0.00 0.00 54.97 55.51 1dck s GLU 107 Cb -0.10 -2.04 0.07 0.00 -0.80 0.00 0.00 34.13 31.27 1dck s GLU 107 CO 0.04 -0.92 1.76 -0.44 -1.33 0.00 0.00 175.26 174.38 1dck h ASP 108 N -0.57 0.74 -0.63 0.83 3.45 -2.01 -2.93 116.42 115.31 1dck h ASP 108 Ca -0.45 -0.12 0.10 0.00 0.43 0.00 0.00 57.03 56.99 1dck h ASP 108 Cb 1.24 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 39.78 1dck h ASP 108 CO 0.63 0.65 0.42 0.74 -1.57 0.00 0.00 179.24 180.11 1dck h THR 109 N 0.77 0.91 0.06 0.35 2.02 -1.98 -0.63 112.91 114.40 1dck h THR 109 Ca 0.20 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1dck h THR 109 Cb 0.10 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1dck h THR 109 CO -0.03 0.08 -0.03 0.58 0.37 0.00 0.00 175.52 176.50 1dck h VAL 110 N 0.46 1.07 -0.29 3.16 2.07 -1.90 0.13 116.25 120.95 1dck h VAL 110 Ca 0.29 -0.42 -0.17 0.00 0.82 0.00 0.00 66.70 67.22 1dck h VAL 110 Cb 0.52 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1dck h VAL 110 CO -0.08 0.11 -0.49 -0.29 0.02 0.00 0.00 177.57 176.83 1dck h ILE 111 N -0.26 1.29 -0.59 4.57 6.09 -1.45 -2.03 117.51 125.13 1dck h ILE 111 Ca -0.01 -1.68 0.00 0.00 -1.37 0.00 0.00 64.86 61.81 1dck h ILE 111 Cb 0.23 1.58 -0.03 0.00 0.47 0.00 0.00 36.82 39.08 1dck h ILE 111 CO 0.01 0.54 0.38 0.40 -3.07 0.00 0.00 178.15 176.42 1dck h ILE 112 N 0.62 1.15 -0.18 2.19 2.04 -0.97 -1.25 117.51 121.11 1dck h ILE 112 Ca 0.03 -0.29 -0.14 0.00 1.00 0.00 0.00 64.86 65.46 1dck h ILE 112 Cb 1.07 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1dck h ILE 112 CO 0.11 0.15 -0.49 -0.33 0.00 0.00 0.00 178.15 177.59 1dck h GLU 113 N 0.79 0.48 -0.73 2.37 4.39 -0.71 -2.25 114.58 118.93 1dck h GLU 113 Ca 0.21 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1dck h GLU 113 Cb -0.08 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1dck h GLU 113 CO -0.05 0.86 0.40 0.00 -1.16 0.00 0.00 179.01 179.07 1dck h ALA 114 N 1.09 0.93 -0.59 3.43 0.00 -0.92 -0.81 119.26 122.39 1dck h ALA 114 Ca 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1dck h ALA 114 Cb 1.00 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1dck h ALA 114 CO 0.09 0.44 0.28 0.82 0.00 0.00 0.00 179.25 180.88 1dck h ILE 115 N 1.00 1.21 -0.69 0.00 2.04 -1.00 -1.02 117.51 119.06 1dck h ILE 115 Ca 0.26 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1dck h ILE 115 Cb 0.03 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1dck h ILE 115 CO -0.04 0.24 0.28 -0.33 0.00 0.00 0.00 178.15 178.31 1dck h GLU 116 N 0.80 1.00 -0.54 2.37 5.08 -0.97 0.25 114.58 122.58 1dck h GLU 116 Ca 0.20 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1dck h GLU 116 Cb 0.13 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1dck h GLU 116 CO -0.02 0.81 0.04 0.00 -1.00 0.00 0.00 179.01 178.84 1dck h ARG 117 N 0.99 0.92 -0.31 2.33 2.47 -0.69 -2.65 114.38 117.44 1dck h ARG 117 Ca 0.23 -0.27 -0.03 0.00 -1.26 0.00 0.00 59.98 58.65 1dck h ARG 117 Cb 0.17 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 1dck h ARG 117 CO -0.02 0.92 0.05 0.00 0.56 0.00 0.00 179.97 181.47 1dck h ALA 118 N 0.97 1.50 0.00 0.04 0.00 -0.44 -2.32 119.26 119.01 1dck h ALA 118 Ca 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1dck h ALA 118 Cb 0.47 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1dck h ALA 118 CO 0.02 0.37 -0.24 0.66 0.00 0.00 0.00 179.25 180.05 1dck h SER 119 N 0.45 0.00 0.64 0.00 4.64 -0.62 -1.85 113.55 116.81 1dck h SER 119 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1dck h SER 119 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1dck h SER 119 CO 0.00 0.24 0.00 -0.62 -0.87 0.00 0.00 176.83 175.58 1dck n GLU 120 N -3.52 0.18 -0.02 4.77 1.02 -0.87 -1.84 120.64 120.36 1dck n GLU 120 Ca -0.01 0.45 0.13 0.00 -0.02 0.00 0.00 57.16 57.71 1dck n GLU 120 Cb 0.40 -1.87 0.41 0.00 -0.02 0.00 0.00 31.44 30.35 1dck n GLU 120 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1dck n HIS 121 N -2.22 0.05 -2.45 -0.32 8.25 -0.70 -4.88 115.22 112.95 1dck n HIS 121 Ca 0.02 -0.02 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 1dck n HIS 121 Cb 0.20 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 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 -1.92 4.27 0.29 2.41 1.43 -0.77 -4.85 118.68 119.54 1dck s LEU 122 Ca 0.35 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 55.15 1dck s LEU 122 Cb 0.20 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.79 1dck s LEU 122 CO 0.32 -0.61 0.64 0.68 0.23 0.00 0.00 176.35 177.61 1dck s VAL 123 N 2.38 4.83 -0.61 -1.59 -7.23 -1.26 -5.01 120.40 111.92 1dck s VAL 123 Ca 0.56 0.62 -0.27 0.00 -1.81 0.00 0.00 61.98 61.08 1dck s VAL 123 Cb -0.24 -3.64 -0.00 0.00 0.56 0.00 0.00 36.38 33.06 1dck s VAL 123 CO 0.21 -0.18 1.64 0.00 -0.31 0.00 0.00 175.10 176.45 1dck s ALA 124 N -1.96 2.48 -2.00 1.32 0.00 -1.26 -5.01 121.76 115.33 1dck s ALA 124 Ca 0.50 -0.74 0.31 0.00 0.00 0.00 0.00 51.96 52.03 1dck s ALA 124 Cb -0.11 -4.23 1.84 0.00 0.00 0.00 0.00 23.12 20.63 1dck s ALA 124 CO 0.22 -3.47 2.17 1.28 0.00 0.00 0.00 175.76 175.96