#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktl n PRO 5 N 0.00 1.14 -4.22 1.97 -0.02 -1.26 -4.79 135.00 127.82 3ktl n PRO 5 Ca 0.00 0.44 -0.32 0.00 -2.02 0.00 0.00 63.50 61.60 3ktl n PRO 5 Cb 0.00 -2.45 -0.16 0.00 -0.02 0.00 0.00 33.50 30.87 3ktl n PRO 5 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ktl s LYS 6 N -3.15 2.77 -0.26 -0.52 2.20 -0.42 -1.60 119.74 118.76 3ktl s LYS 6 Ca 0.80 -0.75 -0.15 0.00 -0.36 0.00 0.00 55.97 55.51 3ktl s LYS 6 Cb -0.39 -2.38 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 3ktl s LYS 6 CO 0.43 -0.17 0.38 -0.51 -0.36 0.00 0.00 175.35 175.12 3ktl s LEU 7 N 1.23 4.05 -0.34 5.43 1.43 0.67 -1.02 118.68 130.13 3ktl s LEU 7 Ca 0.02 0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.31 3ktl s LEU 7 Cb -0.14 -2.45 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 3ktl s LEU 7 CO -0.10 -0.18 0.27 -1.00 0.23 0.00 0.00 176.35 175.58 3ktl s HIS 8 N 2.00 3.22 0.16 0.29 3.76 0.50 -0.91 115.29 124.32 3ktl s HIS 8 Ca 0.16 -0.16 -0.23 0.00 -0.15 0.00 0.00 55.06 54.68 3ktl s HIS 8 Cb -0.16 -2.53 0.08 0.00 1.11 0.00 0.00 32.58 31.08 3ktl s HIS 8 CO 0.10 -0.38 1.07 -0.47 -0.85 0.00 0.00 174.74 174.21 3ktl s TYR 9 N 1.81 0.07 0.63 1.40 5.04 -1.23 -2.34 117.35 122.74 3ktl s TYR 9 Ca 0.08 -0.44 -0.01 0.00 -2.44 0.00 0.00 57.07 54.26 3ktl s TYR 9 Cb -0.17 0.69 0.07 0.00 0.35 0.00 0.00 41.96 42.90 3ktl s TYR 9 CO 0.11 -0.86 0.89 -0.59 -1.34 0.00 0.00 175.55 173.76 3ktl s PHE 10 N -2.12 2.44 -1.19 4.97 -0.00 -1.26 -1.01 117.98 119.81 3ktl s PHE 10 Ca 0.23 -0.03 -0.17 0.00 -0.00 0.00 0.00 56.93 56.96 3ktl s PHE 10 Cb -0.02 -2.91 0.12 0.00 -0.00 0.00 0.00 43.02 40.21 3ktl s PHE 10 CO 0.05 -1.24 1.51 1.21 -0.00 0.00 0.00 175.22 176.75 3ktl s ASN 11 N -4.54 6.88 0.08 1.98 3.84 -1.26 -4.80 114.94 117.12 3ktl s ASN 11 Ca 0.61 -2.54 -0.27 0.00 0.21 0.00 0.00 52.86 50.87 3ktl s ASN 11 Cb -0.09 -2.48 0.08 0.00 -0.55 0.00 0.00 41.25 38.21 3ktl s ASN 11 CO 0.41 -1.01 0.99 0.00 -2.79 0.00 0.00 177.10 174.70 3ktl s ALA 12 N 3.01 -1.78 -0.01 1.71 0.00 -1.26 -5.04 121.76 118.38 3ktl s ALA 12 Ca 0.46 0.48 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 3ktl s ALA 12 Cb -0.00 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 3ktl s ALA 12 CO 0.01 -0.93 0.56 0.00 0.00 0.00 0.00 175.76 175.39 3ktl h ARG 13 N 2.00 -0.22 0.00 0.00 3.08 -1.87 -3.44 114.38 113.92 3ktl h ARG 13 Ca -0.24 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3ktl h ARG 13 Cb 1.23 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3ktl h ARG 13 CO 0.27 -0.15 0.00 0.41 -1.07 0.00 0.00 179.97 179.43 3ktl n GLY 14 N 0.45 2.07 0.83 0.04 0.00 -1.26 -1.82 105.19 105.51 3ktl n GLY 14 Ca -0.03 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.87 3ktl n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ktl n ARG 15 N 14.00 2.06 -0.01 1.61 1.74 -1.26 -3.84 116.66 130.96 3ktl n ARG 15 Ca 0.00 -1.61 0.07 0.00 -0.77 0.00 0.00 57.85 55.55 3ktl n ARG 15 Cb 0.00 -1.36 -0.11 0.00 -1.02 0.00 0.00 32.46 29.97 3ktl n ARG 15 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3ktl n MET 16 N 0.80 0.77 -0.02 5.56 1.56 -0.81 -4.64 117.12 120.33 3ktl n MET 16 Ca 0.15 -0.11 -0.02 0.00 -0.27 0.00 0.00 57.70 57.45 3ktl n MET 16 Cb 0.38 -1.33 0.24 0.00 2.15 0.00 0.00 33.22 34.67 3ktl n MET 16 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 3ktl h GLU 17 N 0.00 0.57 0.00 2.12 4.57 -1.46 -1.27 114.58 119.11 3ktl h GLU 17 Ca 0.00 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 57.98 3ktl h GLU 17 Cb 0.63 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 3ktl h GLU 17 CO 0.00 0.64 -0.24 0.66 -1.18 0.00 0.00 179.01 178.89 3ktl h SER 18 N 0.54 0.00 -0.04 1.04 4.64 -1.85 -1.69 113.55 116.17 3ktl h SER 18 Ca 0.11 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.20 3ktl h SER 18 Cb 0.44 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.54 3ktl h SER 18 CO 0.02 0.24 -0.86 0.74 -0.87 0.00 0.00 176.83 176.10 3ktl h THR 19 N 0.00 1.31 -0.46 2.95 2.02 -1.56 -2.07 112.91 115.10 3ktl h THR 19 Ca -0.00 -2.12 0.03 0.00 0.77 0.00 0.00 66.41 65.09 3ktl h THR 19 Cb 0.50 2.32 -0.03 0.00 -1.74 0.00 0.00 68.15 69.19 3ktl h THR 19 CO 0.03 0.65 0.25 0.03 0.37 0.00 0.00 175.52 176.86 3ktl h ARG 20 N 0.32 0.49 -0.60 6.66 3.08 -0.93 -1.13 114.38 122.26 3ktl h ARG 20 Ca -0.10 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3ktl h ARG 20 Cb 1.52 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.43 3ktl h ARG 20 CO 0.17 0.32 0.30 -1.49 -1.07 0.00 0.00 179.97 178.21 3ktl h TRP 21 N 0.51 0.85 -0.27 3.04 4.06 -1.32 -1.49 115.95 121.32 3ktl h TRP 21 Ca 0.19 -0.03 -0.06 0.00 2.06 0.00 0.00 58.89 61.05 3ktl h TRP 21 Cb 0.06 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 27.95 3ktl h TRP 21 CO -0.08 0.63 -0.07 1.25 -3.56 0.00 0.00 178.44 176.61 3ktl h LEU 22 N 0.81 0.54 -0.19 -4.49 5.85 -1.17 0.10 115.31 116.77 3ktl h LEU 22 Ca 0.21 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3ktl h LEU 22 Cb 0.09 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3ktl h LEU 22 CO -0.03 0.79 0.10 -0.07 -0.34 0.00 0.00 178.44 178.89 3ktl h LEU 23 N 0.29 0.24 -0.54 2.25 3.38 -1.14 -2.20 115.31 117.59 3ktl h LEU 23 Ca 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ktl h LEU 23 Cb 0.55 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3ktl h LEU 23 CO 0.03 0.27 0.28 0.00 0.09 0.00 0.00 178.44 179.11 3ktl h ALA 24 N 0.98 0.70 -0.87 1.53 0.00 -1.18 -0.62 119.26 119.80 3ktl h ALA 24 Ca 0.07 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.97 3ktl h ALA 24 Cb 0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 3ktl h ALA 24 CO -0.01 0.23 0.56 0.00 0.00 0.00 0.00 179.25 180.04 3ktl h ALA 25 N 1.12 1.67 0.00 0.00 0.00 -0.81 -1.17 119.26 120.06 3ktl h ALA 25 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ktl h ALA 25 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ktl h ALA 25 CO -0.03 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.38 3ktl n ALA 26 N -2.42 2.62 -1.30 0.00 0.00 -0.84 -4.78 120.51 113.80 3ktl n ALA 26 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3ktl n ALA 26 Cb 0.31 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3ktl n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ktl n GLY 27 N 0.99 0.44 3.44 0.00 0.00 -0.44 -5.01 105.19 104.61 3ktl n GLY 27 Ca 0.22 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 3ktl n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ktl s VAL 28 N -2.00 4.33 0.24 1.61 1.01 -0.30 -5.01 120.40 120.28 3ktl s VAL 28 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 3ktl s VAL 28 Cb 0.00 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.22 3ktl s VAL 28 CO 0.00 0.28 1.37 -1.61 0.00 0.00 0.00 175.10 175.15 3ktl s GLU 29 N 1.61 4.33 0.26 2.72 2.02 -1.26 -4.22 118.70 124.15 3ktl s GLU 29 Ca 0.06 2.19 0.02 0.00 0.02 0.00 0.00 54.97 57.27 3ktl s GLU 29 Cb -0.15 -3.14 -0.05 0.00 0.10 0.00 0.00 34.13 30.88 3ktl s GLU 29 CO 0.04 -0.32 0.06 -0.59 0.02 0.00 0.00 175.26 174.46 3ktl s PHE 30 N -0.10 1.59 0.10 1.61 -0.12 -1.26 -4.19 117.98 115.62 3ktl s PHE 30 Ca 0.57 -1.06 0.10 0.00 -0.05 0.00 0.00 56.93 56.48 3ktl s PHE 30 Cb -0.39 -0.95 -0.04 0.00 -0.63 0.00 0.00 43.02 41.00 3ktl s PHE 30 CO 0.42 -0.19 -0.24 -1.21 -0.05 0.00 0.00 175.22 173.95 3ktl s GLU 31 N -3.96 1.63 0.02 1.99 2.02 -0.63 -4.99 118.70 114.78 3ktl s GLU 31 Ca 0.34 -1.23 0.07 0.00 0.02 0.00 0.00 54.97 54.17 3ktl s GLU 31 Cb 0.07 -2.00 -0.03 0.00 0.10 0.00 0.00 34.13 32.28 3ktl s GLU 31 CO 0.12 0.48 -0.19 -1.21 0.02 0.00 0.00 175.26 174.47 3ktl s GLU 32 N -1.89 2.10 -0.43 1.61 2.02 -1.26 -0.24 118.70 120.60 3ktl s GLU 32 Ca 0.15 -0.96 0.01 0.00 0.02 0.00 0.00 54.97 54.19 3ktl s GLU 32 Cb -0.10 -2.17 0.12 0.00 0.10 0.00 0.00 34.13 32.07 3ktl s GLU 32 CO 0.06 0.55 0.19 0.21 0.02 0.00 0.00 175.26 176.29 3ktl s LYS 33 N -1.24 1.89 -0.01 1.61 2.20 -0.09 -4.90 119.74 119.20 3ktl s LYS 33 Ca 0.13 -2.08 -0.30 0.00 -0.36 0.00 0.00 55.97 53.36 3ktl s LYS 33 Cb -0.10 -3.42 -0.06 0.00 -1.51 0.00 0.00 37.83 32.73 3ktl s LYS 33 CO 0.04 -1.05 1.54 -0.06 -0.36 0.00 0.00 175.35 175.46 3ktl s PHE 34 N 0.63 2.45 -0.00 4.03 0.08 -1.26 -3.49 117.98 120.42 3ktl s PHE 34 Ca 0.12 0.49 -0.26 0.00 0.12 0.00 0.00 56.93 57.39 3ktl s PHE 34 Cb -0.22 -3.82 -0.04 0.00 -0.57 0.00 0.00 43.02 38.37 3ktl s PHE 34 CO -0.05 -3.25 0.82 0.42 -0.10 0.00 0.00 175.22 173.06 3ktl s ILE 35 N 3.06 4.87 -0.04 0.64 1.01 -0.18 -4.95 121.20 125.61 3ktl s ILE 35 Ca 0.69 1.72 0.11 0.00 0.00 0.00 0.00 60.65 63.17 3ktl s ILE 35 Cb -0.34 -4.16 -0.16 0.00 0.01 0.00 0.00 42.46 37.81 3ktl s ILE 35 CO 0.28 0.26 0.18 0.29 0.00 0.00 0.00 174.94 175.95 3ktl n LYS 36 N 3.49 0.95 -4.02 2.79 4.76 -1.26 -4.34 118.16 120.52 3ktl n LYS 36 Ca 0.01 -0.07 -0.11 0.00 -2.87 0.00 0.00 58.31 55.26 3ktl n LYS 36 Cb 0.51 -1.27 -0.04 0.00 -1.84 0.00 0.00 35.03 32.39 3ktl n LYS 36 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ktl s SER 37 N -3.60 0.29 0.37 4.39 1.04 -1.26 -4.86 113.70 110.07 3ktl s SER 37 Ca -0.04 -1.17 0.08 0.00 0.48 0.00 0.00 55.95 55.29 3ktl s SER 37 Cb 0.06 0.63 0.74 0.00 0.10 0.00 0.00 66.02 67.55 3ktl s SER 37 CO 0.45 -1.23 1.91 0.00 0.98 0.00 0.00 173.24 175.35 3ktl h ALA 38 N 2.20 1.48 -0.32 5.32 0.00 -1.75 -2.15 119.26 124.04 3ktl h ALA 38 Ca -0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3ktl h ALA 38 Cb 1.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3ktl h ALA 38 CO 0.38 0.37 0.18 0.93 0.00 0.00 0.00 179.25 181.11 3ktl h GLU 39 N 0.32 0.45 -0.73 0.00 3.07 -1.92 0.21 114.58 115.98 3ktl h GLU 39 Ca 0.07 -0.05 0.07 0.00 -0.50 0.00 0.00 59.36 58.95 3ktl h GLU 39 Cb 0.34 -0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 28.10 3ktl h GLU 39 CO 0.02 0.37 0.40 -0.44 -1.40 0.00 0.00 179.01 177.96 3ktl h ASP 40 N 0.40 0.58 -0.34 1.42 3.32 -1.79 -1.24 116.42 118.76 3ktl h ASP 40 Ca 0.11 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3ktl h ASP 40 Cb 0.05 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3ktl h ASP 40 CO -0.02 0.35 0.09 0.25 -1.72 0.00 0.00 179.24 178.20 3ktl h LEU 41 N 0.71 0.50 -2.25 1.55 5.85 -0.99 -2.77 115.31 117.91 3ktl h LEU 41 Ca 0.34 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3ktl h LEU 41 Cb 0.27 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 3ktl h LEU 41 CO -0.22 0.59 0.02 0.44 -0.34 0.00 0.00 178.44 178.93 3ktl h ASP 42 N 0.39 0.00 -0.07 1.25 3.32 -0.14 -1.76 116.42 119.41 3ktl h ASP 42 Ca 0.11 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3ktl h ASP 42 Cb 0.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 3ktl h ASP 42 CO -0.00 0.00 -0.01 0.50 -1.72 0.00 0.00 179.24 178.01 3ktl h LYS 43 N 0.00 0.12 -0.53 3.56 3.64 -0.95 0.04 116.57 122.44 3ktl h LYS 43 Ca 0.01 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3ktl h LYS 43 Cb 0.05 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.80 3ktl h LYS 43 CO -0.00 0.43 0.20 -0.07 -2.27 0.00 0.00 179.45 177.74 3ktl h LEU 44 N -0.20 0.22 -0.03 5.20 3.38 -1.32 -1.03 115.31 121.52 3ktl h LEU 44 Ca 0.02 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ktl h LEU 44 Cb 0.38 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ktl h LEU 44 CO 0.01 0.15 0.01 0.03 0.09 0.00 0.00 178.44 178.72 3ktl h ARG 45 N 0.39 0.05 -0.85 1.13 3.08 -1.21 -1.68 114.38 115.28 3ktl h ARG 45 Ca 0.26 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.34 3ktl h ARG 45 Cb 0.28 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 3ktl h ARG 45 CO -0.25 0.21 0.56 -0.91 -1.07 0.00 0.00 179.97 178.51 3ktl h ASN 46 N -0.12 0.89 0.19 7.04 2.35 -0.70 0.29 115.58 125.52 3ktl h ASN 46 Ca 0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3ktl h ASN 46 Cb 0.18 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3ktl h ASN 46 CO -0.00 0.60 0.00 0.47 -1.65 0.00 0.00 177.43 176.85 3ktl n ASP 47 N -4.46 0.00 -0.81 5.81 9.92 -0.41 -4.89 116.55 121.70 3ktl n ASP 47 Ca 0.12 -0.53 -0.08 0.00 -0.53 0.00 0.00 54.79 53.77 3ktl n ASP 47 Cb 0.14 -0.11 -0.01 0.00 -0.64 0.00 0.00 41.12 40.50 3ktl n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ktl n GLY 48 N 0.73 0.25 0.21 0.44 0.00 0.09 -4.93 105.19 101.99 3ktl n GLY 48 Ca 0.17 -0.59 0.11 0.00 0.00 0.00 0.00 46.02 45.70 3ktl n GLY 48 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ktl h TYR 49 N 0.00 0.00 -3.80 1.61 0.99 -1.49 -3.44 116.97 110.83 3ktl h TYR 49 Ca -0.18 0.00 -0.67 0.00 2.00 0.00 0.00 58.73 59.88 3ktl h TYR 49 Cb 1.00 0.00 -0.37 0.00 1.00 0.00 0.00 36.73 38.36 3ktl h TYR 49 CO 0.21 0.13 -0.76 -0.51 -0.00 0.00 0.00 178.16 177.23 3ktl s LEU 50 N -6.33 3.86 0.35 3.88 1.43 -1.26 -4.86 118.68 115.75 3ktl s LEU 50 Ca 0.05 -1.57 0.05 0.00 -1.03 0.00 0.00 54.13 51.62 3ktl s LEU 50 Cb 0.07 -1.60 0.70 0.00 0.03 0.00 0.00 46.19 45.39 3ktl s LEU 50 CO 0.66 -0.25 1.96 -0.03 0.23 0.00 0.00 176.35 178.91 3ktl h MET 51 N 7.77 0.78 -0.10 1.70 1.85 -1.87 -2.20 114.93 122.87 3ktl h MET 51 Ca -0.16 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 58.87 3ktl h MET 51 Cb 1.04 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.88 3ktl h MET 51 CO 0.49 0.52 -0.05 1.19 -0.40 0.00 0.00 176.91 178.66 3ktl n PHE 52 N -4.48 0.36 -1.17 1.39 3.72 -1.26 -4.96 117.46 111.05 3ktl n PHE 52 Ca 0.11 -1.05 -0.06 0.00 -0.05 0.00 0.00 57.45 56.40 3ktl n PHE 52 Cb 0.21 -0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 38.49 3ktl n PHE 52 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3ktl n GLN 53 N -1.11 -0.98 -4.37 -1.08 1.13 -0.83 -4.99 117.38 105.14 3ktl n GLN 53 Ca 0.19 0.60 -0.20 0.00 -1.94 0.00 0.00 57.00 55.65 3ktl n GLN 53 Cb 0.75 -4.53 -0.10 0.00 0.11 0.00 0.00 30.24 26.46 3ktl n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3ktl s GLN 54 N -2.08 1.40 0.35 -1.09 -0.21 -1.26 -4.93 119.66 111.84 3ktl s GLN 54 Ca 0.00 -1.60 0.08 0.00 0.02 0.00 0.00 55.36 53.87 3ktl s GLN 54 Cb 0.00 -1.31 -0.05 0.00 1.00 0.00 0.00 33.01 32.65 3ktl s GLN 54 CO 0.00 0.23 0.09 0.14 -2.12 0.00 0.00 175.29 173.63 3ktl s VAL 55 N -2.70 2.79 0.64 1.09 -7.23 -1.26 -4.67 120.40 109.06 3ktl s VAL 55 Ca 0.23 -1.82 -0.18 0.00 -1.81 0.00 0.00 61.98 58.40 3ktl s VAL 55 Cb -0.03 -2.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 3ktl s VAL 55 CO 0.09 -0.18 1.25 -0.81 -0.31 0.00 0.00 175.10 175.14 3ktl n PRO 56 N -1.07 1.08 -3.99 4.82 -0.04 -1.26 -4.97 135.00 129.57 3ktl n PRO 56 Ca -0.03 0.43 -0.15 0.00 -0.04 0.00 0.00 63.50 63.70 3ktl n PRO 56 Cb 0.62 -2.49 -0.15 0.00 -0.04 0.00 0.00 33.50 31.44 3ktl n PRO 56 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3ktl s MET 57 N -3.29 0.26 -0.20 0.54 1.75 -0.99 -3.73 119.30 113.65 3ktl s MET 57 Ca 0.82 -0.03 -0.01 0.00 -1.25 0.00 0.00 55.69 55.22 3ktl s MET 57 Cb -0.38 -0.33 0.01 0.00 2.84 0.00 0.00 34.83 36.96 3ktl s MET 57 CO 0.41 -0.02 -0.13 0.08 -0.65 0.00 0.00 175.02 174.71 3ktl s VAL 58 N 0.37 2.64 -0.35 10.11 1.01 -0.54 -0.37 120.40 133.27 3ktl s VAL 58 Ca -0.03 -0.74 -0.26 0.00 0.00 0.00 0.00 61.98 60.95 3ktl s VAL 58 Cb -0.06 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.17 3ktl s VAL 58 CO -0.01 0.49 0.90 -1.61 0.00 0.00 0.00 175.10 174.88 3ktl s GLU 59 N 1.34 3.88 -0.11 2.72 2.02 -0.19 -0.71 118.70 127.64 3ktl s GLU 59 Ca 0.05 0.61 -0.05 0.00 0.02 0.00 0.00 54.97 55.60 3ktl s GLU 59 Cb -0.14 -3.78 0.05 0.00 0.10 0.00 0.00 34.13 30.36 3ktl s GLU 59 CO -0.08 -0.89 0.24 -1.50 0.02 0.00 0.00 175.26 173.05 3ktl s ILE 60 N 3.37 -0.21 -1.36 -1.63 2.07 -0.69 -1.30 121.20 121.45 3ktl s ILE 60 Ca 0.37 0.22 -0.03 0.00 -1.41 0.00 0.00 60.65 59.80 3ktl s ILE 60 Cb -0.12 -0.40 0.02 0.00 0.13 0.00 0.00 42.46 42.09 3ktl s ILE 60 CO 0.17 0.09 0.79 0.47 -1.91 0.00 0.00 174.94 174.55 3ktl n ASP 61 N 4.77 -2.18 -0.14 4.50 8.00 -1.26 -0.62 116.55 129.61 3ktl n ASP 61 Ca -0.16 -0.80 -0.02 0.00 0.71 0.00 0.00 54.79 54.53 3ktl n ASP 61 Cb 0.51 -4.08 -0.01 0.00 -0.02 0.00 0.00 41.12 37.52 3ktl n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ktl n GLY 62 N -1.60 0.28 3.86 0.44 0.00 -1.26 -5.01 105.19 101.90 3ktl n GLY 62 Ca -0.21 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 3ktl n GLY 62 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ktl s MET 63 N -1.77 3.19 -0.73 1.61 -1.94 0.21 -5.08 119.30 114.79 3ktl s MET 63 Ca 0.00 -0.61 -0.04 0.00 -1.71 0.00 0.00 55.69 53.33 3ktl s MET 63 Cb 0.00 -2.87 0.19 0.00 2.01 0.00 0.00 34.83 34.15 3ktl s MET 63 CO 0.00 0.56 0.58 0.15 -0.01 0.00 0.00 175.02 176.30 3ktl s LYS 64 N -2.69 2.90 -0.64 2.03 1.02 -1.26 -1.71 119.74 119.39 3ktl s LYS 64 Ca 0.33 -2.72 -0.21 0.00 0.02 0.00 0.00 55.97 53.39 3ktl s LYS 64 Cb -0.12 -3.89 0.09 0.00 -0.52 0.00 0.00 37.83 33.39 3ktl s LYS 64 CO 0.26 -1.21 0.86 -0.51 -0.92 0.00 0.00 175.35 173.83 3ktl s LEU 65 N -0.38 4.84 0.86 3.17 1.43 0.11 -4.83 118.68 123.88 3ktl s LEU 65 Ca 0.20 -1.23 -0.10 0.00 -1.03 0.00 0.00 54.13 51.97 3ktl s LEU 65 Cb -0.16 -2.37 0.16 0.00 0.03 0.00 0.00 46.19 43.85 3ktl s LEU 65 CO -0.06 -1.29 1.19 0.68 0.23 0.00 0.00 176.35 177.10 3ktl s VAL 66 N 3.42 2.07 0.02 -1.59 -7.23 -1.26 -1.47 120.40 114.36 3ktl s VAL 66 Ca 0.18 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.14 3ktl s VAL 66 Cb -0.19 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.89 3ktl s VAL 66 CO 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.87 3ktl n GLN 67 N -3.38 -2.03 -0.23 4.82 1.13 -1.24 -4.54 117.38 111.90 3ktl n GLN 67 Ca 0.14 1.77 -0.05 0.00 -1.94 0.00 0.00 57.00 56.93 3ktl n GLN 67 Cb 0.60 -2.03 0.01 0.00 0.11 0.00 0.00 30.24 28.92 3ktl n GLN 67 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3ktl h THR 68 N 1.64 0.13 0.00 5.09 2.02 -1.90 0.06 112.91 119.96 3ktl h THR 68 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3ktl h THR 68 Cb 0.00 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3ktl h THR 68 CO 0.00 0.00 -0.10 0.03 0.37 0.00 0.00 175.52 175.82 3ktl h ARG 69 N -0.14 0.00 -0.07 6.66 3.08 -1.96 -2.34 114.38 119.60 3ktl h ARG 69 Ca 0.24 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 3ktl h ARG 69 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 3ktl h ARG 69 CO -0.73 0.10 -0.08 0.00 -1.07 0.00 0.00 179.97 178.19 3ktl h ALA 70 N 1.90 0.11 -0.34 0.04 0.00 -1.21 -1.37 119.26 118.39 3ktl h ALA 70 Ca -0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 3ktl h ALA 70 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ktl h ALA 70 CO 0.01 -0.08 -0.29 0.00 0.00 0.00 0.00 179.25 178.89 3ktl h ALA 71 N 0.56 0.85 -0.31 0.00 0.00 -1.50 -2.60 119.26 116.26 3ktl h ALA 71 Ca 0.01 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.54 3ktl h ALA 71 Cb 0.59 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3ktl h ALA 71 CO 0.02 0.64 0.17 -0.07 0.00 0.00 0.00 179.25 180.00 3ktl h LEU 72 N 0.61 0.26 -0.85 0.00 3.38 -1.38 0.20 115.31 117.52 3ktl h LEU 72 Ca 0.07 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3ktl h LEU 72 Cb 0.80 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 3ktl h LEU 72 CO 0.07 0.19 0.42 0.78 0.09 0.00 0.00 178.44 179.99 3ktl h ASN 73 N 0.35 1.11 0.06 -0.43 2.35 -1.25 0.11 115.58 117.89 3ktl h ASN 73 Ca 0.13 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3ktl h ASN 73 Cb 0.02 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.11 3ktl h ASN 73 CO -0.07 0.93 -0.03 0.22 -1.65 0.00 0.00 177.43 176.83 3ktl h TYR 74 N 1.22 -0.08 -0.73 1.19 3.20 -1.05 -1.22 116.97 119.50 3ktl h TYR 74 Ca 0.29 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.31 3ktl h TYR 74 Cb 0.11 0.03 -0.10 0.00 1.54 0.00 0.00 36.73 38.31 3ktl h TYR 74 CO 0.01 0.45 0.24 0.82 -1.64 0.00 0.00 178.16 178.05 3ktl h ILE 75 N -0.67 0.60 -0.42 1.81 2.04 -0.50 -1.68 117.51 118.69 3ktl h ILE 75 Ca -0.01 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3ktl h ILE 75 Cb 0.57 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3ktl h ILE 75 CO 0.01 0.07 0.12 0.00 0.00 0.00 0.00 178.15 178.35 3ktl h ALA 76 N 1.56 0.55 -0.25 1.87 0.00 -0.65 -1.70 119.26 120.64 3ktl h ALA 76 Ca 0.41 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3ktl h ALA 76 Cb 0.65 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ktl h ALA 76 CO -0.44 0.21 0.00 0.77 0.00 0.00 0.00 179.25 179.79 3ktl h SER 77 N 0.54 0.43 -0.85 0.00 0.02 -0.87 -1.21 113.55 111.60 3ktl h SER 77 Ca 0.13 -0.30 0.08 0.00 -0.84 0.00 0.00 61.79 60.86 3ktl h SER 77 Cb 0.28 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.63 3ktl h SER 77 CO -0.00 0.63 0.51 0.50 -1.14 0.00 0.00 176.83 177.33 3ktl h LYS 78 N 0.22 0.86 -0.79 3.45 3.64 -1.12 -2.16 116.57 120.67 3ktl h LYS 78 Ca 0.07 -0.05 -0.31 0.00 -1.27 0.00 0.00 60.65 59.09 3ktl h LYS 78 Cb 0.41 -0.19 -0.19 0.00 -0.41 0.00 0.00 32.23 31.85 3ktl h LYS 78 CO 0.01 0.57 0.37 0.66 -2.27 0.00 0.00 179.45 178.79 3ktl n TYR 79 N -4.68 2.52 -3.42 1.91 4.01 -0.66 -4.96 117.16 111.88 3ktl n TYR 79 Ca 0.14 -1.45 -0.25 0.00 -0.16 0.00 0.00 57.90 56.18 3ktl n TYR 79 Cb 0.24 -0.75 0.02 0.00 -0.31 0.00 0.00 39.34 38.54 3ktl n TYR 79 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3ktl n ASN 80 N -0.59 -5.06 -0.53 7.72 5.03 -0.81 -4.87 115.26 116.15 3ktl n ASN 80 Ca 0.46 -0.47 0.07 0.00 0.87 0.00 0.00 54.58 55.51 3ktl n ASN 80 Cb 1.45 -4.08 0.19 0.00 -1.02 0.00 0.00 39.78 36.32 3ktl n ASN 80 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3ktl n LEU 81 N -4.20 3.09 -0.55 3.41 4.77 -0.48 -4.60 117.00 118.45 3ktl n LEU 81 Ca -0.03 -3.28 0.06 0.00 -0.03 0.00 0.00 56.01 52.74 3ktl n LEU 81 Cb 0.56 -0.51 0.20 0.00 -2.33 0.00 0.00 43.42 41.35 3ktl n LEU 81 CO 0.58 0.87 0.42 0.00 -1.33 0.00 0.00 177.39 177.93 3ktl n TYR 82 N -1.09 0.08 -0.87 -1.77 4.19 -1.20 -0.69 117.16 115.82 3ktl n TYR 82 Ca 0.20 -1.41 0.03 0.00 3.31 0.00 0.00 57.90 60.03 3ktl n TYR 82 Cb 0.78 -0.25 -0.01 0.00 0.49 0.00 0.00 39.34 40.35 3ktl n TYR 82 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3ktl n GLY 83 N -1.17 -2.17 0.02 2.98 0.00 -1.26 -4.13 105.19 99.47 3ktl n GLY 83 Ca 0.19 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.86 3ktl n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ktl n LYS 84 N -1.31 0.31 -3.83 1.61 2.85 -1.26 -4.93 118.16 111.60 3ktl n LYS 84 Ca 0.00 -0.05 -0.07 0.00 -1.05 0.00 0.00 58.31 57.15 3ktl n LYS 84 Cb 0.09 -1.56 0.01 0.00 -0.65 0.00 0.00 35.03 32.92 3ktl n LYS 84 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 3ktl s ASP 85 N -3.86 -0.05 0.46 -5.58 1.47 -1.26 -5.04 116.67 102.81 3ktl s ASP 85 Ca 0.02 -0.90 0.24 0.00 1.18 0.00 0.00 52.55 53.09 3ktl s ASP 85 Cb 0.15 0.73 1.09 0.00 -0.34 0.00 0.00 42.92 44.54 3ktl s ASP 85 CO 0.84 -1.42 1.91 0.16 0.68 0.00 0.00 175.17 177.34 3ktl h ILE 86 N 2.00 0.62 -0.43 2.11 3.07 -1.95 -1.16 117.51 121.77 3ktl h ILE 86 Ca -0.29 -0.95 -0.09 0.00 1.55 0.00 0.00 64.86 65.09 3ktl h ILE 86 Cb 1.24 1.62 -0.01 0.00 -0.27 0.00 0.00 36.82 39.40 3ktl h ILE 86 CO 0.36 0.20 -0.08 0.11 -1.05 0.00 0.00 178.15 177.69 3ktl h LYS 87 N 0.00 0.81 -0.62 0.16 1.57 -1.99 -1.46 116.57 115.04 3ktl h LYS 87 Ca -0.00 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 58.41 3ktl h LYS 87 Cb 0.60 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3ktl h LYS 87 CO 0.03 0.91 0.12 0.93 -0.57 0.00 0.00 179.45 180.87 3ktl h GLU 88 N 0.63 0.99 -0.72 3.15 5.08 -1.80 -2.43 114.58 119.48 3ktl h GLU 88 Ca 0.11 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3ktl h GLU 88 Cb 0.60 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 3ktl h GLU 88 CO 0.04 0.90 0.46 0.00 -1.00 0.00 0.00 179.01 179.41 3ktl h ARG 89 N 0.94 0.95 -0.59 2.33 3.08 -1.17 0.02 114.38 119.94 3ktl h ARG 89 Ca 0.19 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3ktl h ARG 89 Cb 0.37 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3ktl h ARG 89 CO 0.01 0.64 0.17 0.00 -1.07 0.00 0.00 179.97 179.72 3ktl h ALA 90 N 1.53 0.77 -0.18 0.04 0.00 -0.80 0.12 119.26 120.74 3ktl h ALA 90 Ca 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3ktl h ALA 90 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3ktl h ALA 90 CO -0.05 0.45 -0.00 -0.07 0.00 0.00 0.00 179.25 179.57 3ktl h LEU 91 N 0.84 0.31 -0.40 0.00 3.38 -1.06 -1.36 115.31 117.01 3ktl h LEU 91 Ca 0.19 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.93 3ktl h LEU 91 Cb 0.30 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3ktl h LEU 91 CO -0.00 0.55 -0.07 0.40 0.09 0.00 0.00 178.44 179.40 3ktl h ILE 92 N 0.07 0.62 -0.19 1.22 2.04 -0.92 0.02 117.51 120.37 3ktl h ILE 92 Ca 0.05 -0.01 -0.12 0.00 1.00 0.00 0.00 64.86 65.78 3ktl h ILE 92 Cb 0.39 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3ktl h ILE 92 CO 0.01 0.00 -0.40 0.44 0.00 0.00 0.00 178.15 178.20 3ktl h ASP 93 N 0.03 0.46 -0.36 1.72 3.32 -0.63 0.18 116.42 121.14 3ktl h ASP 93 Ca 0.20 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3ktl h ASP 93 Cb 0.30 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3ktl h ASP 93 CO -0.40 0.81 0.05 -0.03 -1.72 0.00 0.00 179.24 177.96 3ktl h MET 94 N 0.36 0.59 -0.38 3.56 1.85 -0.81 -1.79 114.93 118.32 3ktl h MET 94 Ca 0.03 -0.16 -0.03 0.00 -0.61 0.00 0.00 59.70 58.93 3ktl h MET 94 Cb 0.86 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.81 3ktl h MET 94 CO 0.07 0.67 0.10 1.88 -0.40 0.00 0.00 176.91 179.24 3ktl h TYR 95 N 0.43 0.62 0.00 1.39 0.05 -0.63 -2.99 116.97 115.84 3ktl h TYR 95 Ca 0.11 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 3ktl h TYR 95 Cb 0.37 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3ktl h TYR 95 CO 0.03 0.60 -0.35 -0.84 -1.05 0.00 0.00 178.16 176.54 3ktl h ILE 96 N 0.46 0.64 -0.50 -2.88 3.07 -0.92 -2.13 117.51 115.24 3ktl h ILE 96 Ca 0.12 -1.79 -0.09 0.00 1.55 0.00 0.00 64.86 64.65 3ktl h ILE 96 Cb 0.28 2.23 -0.02 0.00 -0.27 0.00 0.00 36.82 39.04 3ktl h ILE 96 CO -0.00 0.35 -0.04 -0.33 -1.05 0.00 0.00 178.15 177.08 3ktl h GLU 97 N 0.00 0.87 -0.58 0.16 4.39 -1.38 0.36 114.58 118.39 3ktl h GLU 97 Ca -0.00 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 3ktl h GLU 97 Cb 1.20 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 3ktl h GLU 97 CO 0.05 0.89 0.25 0.78 -1.16 0.00 0.00 179.01 179.82 3ktl h GLY 98 N 0.98 0.92 0.48 -3.84 0.00 -1.34 -0.12 103.07 100.15 3ktl h GLY 98 Ca 0.14 -0.49 0.06 0.00 0.00 0.00 0.00 47.33 47.05 3ktl h GLY 98 CO 0.03 0.46 0.01 -2.22 0.00 0.00 0.00 176.54 174.82 3ktl h ILE 99 N 0.80 0.76 -0.98 2.60 2.04 -1.05 -1.78 117.51 119.90 3ktl h ILE 99 Ca 0.20 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 66.05 3ktl h ILE 99 Cb 0.17 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3ktl h ILE 99 CO -0.02 0.02 0.64 0.00 0.00 0.00 0.00 178.15 178.79 3ktl h ALA 100 N 1.29 1.34 0.14 1.87 0.00 -0.05 0.32 119.26 124.17 3ktl h ALA 100 Ca 0.16 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ktl h ALA 100 Cb 0.22 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ktl h ALA 100 CO -0.27 0.58 -0.18 -0.44 0.00 0.00 0.00 179.25 178.94 3ktl h ASP 101 N 1.27 -0.49 -0.55 0.00 5.19 -0.21 0.36 116.42 122.00 3ktl h ASP 101 Ca 0.38 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.80 3ktl h ASP 101 Cb -0.06 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 3ktl h ASP 101 CO -0.10 -0.26 0.21 0.25 -3.12 0.00 0.00 179.24 176.21 3ktl h LEU 102 N -0.37 0.76 -0.90 1.55 5.85 -1.11 -2.68 115.31 118.40 3ktl h LEU 102 Ca 0.01 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.66 3ktl h LEU 102 Cb 0.37 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 3ktl h LEU 102 CO -0.07 0.74 0.54 1.23 -0.34 0.00 0.00 178.44 180.54 3ktl h GLY 103 N 0.75 1.43 1.17 3.75 0.00 -0.00 -1.64 103.07 108.53 3ktl h GLY 103 Ca 0.18 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 3ktl h GLY 103 CO -0.01 0.16 -0.14 -2.09 0.00 0.00 0.00 176.54 174.46 3ktl h GLU 104 N 0.89 0.96 -0.43 4.80 4.57 0.05 0.19 114.58 125.62 3ktl h GLU 104 Ca 0.44 -0.36 0.02 0.00 -1.18 0.00 0.00 59.36 58.28 3ktl h GLU 104 Cb 0.39 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 3ktl h GLU 104 CO -0.25 1.03 0.24 0.52 -1.18 0.00 0.00 179.01 179.37 3ktl h MET 105 N 0.85 0.47 -0.17 1.92 2.86 -1.11 -2.38 114.93 117.38 3ktl h MET 105 Ca 0.13 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 3ktl h MET 105 Cb 0.69 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 3ktl h MET 105 CO 0.05 0.31 -0.13 0.82 1.06 0.00 0.00 176.91 179.03 3ktl h ILE 106 N 0.49 1.33 -0.76 -1.22 2.04 -1.25 -2.49 117.51 115.64 3ktl h ILE 106 Ca 0.18 -1.24 0.16 0.00 1.00 0.00 0.00 64.86 64.96 3ktl h ILE 106 Cb 0.04 1.77 -0.10 0.00 -0.74 0.00 0.00 36.82 37.78 3ktl h ILE 106 CO -0.09 0.37 0.26 0.25 0.00 0.00 0.00 178.15 178.93 3ktl h LEU 107 N 0.05 0.17 -1.57 1.44 5.85 -0.88 -2.43 115.31 117.93 3ktl h LEU 107 Ca 0.03 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3ktl h LEU 107 Cb 0.64 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3ktl h LEU 107 CO 0.03 0.03 -0.02 0.18 -0.34 0.00 0.00 178.44 178.33 3ktl n LEU 108 N -5.07 2.46 -0.35 2.25 4.77 -0.90 -4.27 117.00 115.89 3ktl n LEU 108 Ca 0.15 -0.82 0.15 0.00 -0.03 0.00 0.00 56.01 55.46 3ktl n LEU 108 Cb 0.46 -0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.90 3ktl n LEU 108 CO 0.15 0.41 1.18 0.25 -1.33 0.00 0.00 177.39 178.06 3ktl h LEU 109 N 3.84 0.73 -2.49 2.23 5.85 -0.96 0.23 115.31 124.76 3ktl h LEU 109 Ca 0.00 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3ktl h LEU 109 Cb 0.83 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 3ktl h LEU 109 CO 0.00 0.21 0.05 -0.65 -0.34 0.00 0.00 178.44 177.70 3ktl h PRO 110 N 0.68 0.00 -0.03 5.25 0.11 -1.78 -2.49 132.00 133.75 3ktl h PRO 110 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 3ktl h PRO 110 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3ktl h PRO 110 CO -0.41 0.00 -0.07 0.28 -0.21 0.00 0.00 178.00 177.59 3ktl n VAL 111 N -3.71 0.00 -2.25 3.15 0.31 0.04 -4.94 118.33 110.93 3ktl n VAL 111 Ca -0.02 -0.47 -0.41 0.00 -0.01 0.00 0.00 64.34 63.44 3ktl n VAL 111 Cb 0.13 1.42 -0.03 0.00 -0.91 0.00 0.00 33.84 34.46 3ktl n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ktl s PRO 113 N -1.46 4.12 0.49 0.00 0.02 -1.26 -4.82 135.00 132.09 3ktl s PRO 113 Ca 0.48 2.58 0.19 0.00 0.02 0.00 0.00 61.00 64.27 3ktl s PRO 113 Cb -0.37 -3.02 1.23 0.00 0.02 0.00 0.00 34.50 32.37 3ktl s PRO 113 CO 0.47 -0.63 2.03 -1.35 -0.33 0.00 0.00 177.00 177.19 3ktl h PRO 114 N 4.69 0.15 0.00 5.54 0.11 -1.97 0.15 132.00 140.67 3ktl h PRO 114 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ktl h PRO 114 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ktl h PRO 114 CO 0.78 0.10 0.00 -0.85 -0.21 0.00 0.00 178.00 177.82 3ktl n GLU 115 N -4.45 0.15 0.00 1.05 0.00 -1.26 -2.91 120.64 113.21 3ktl n GLU 115 Ca 0.07 0.13 0.06 0.00 0.00 0.00 0.00 57.16 57.41 3ktl n GLU 115 Cb 0.39 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.36 3ktl n GLU 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3ktl n GLU 116 N -1.39 1.22 -0.20 3.44 1.02 0.51 -4.69 120.64 120.55 3ktl n GLU 116 Ca 0.07 -0.97 -0.08 0.00 -0.02 0.00 0.00 57.16 56.16 3ktl n GLU 116 Cb 0.19 -1.18 0.02 0.00 -0.02 0.00 0.00 31.44 30.45 3ktl n GLU 116 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3ktl h LYS 117 N 1.88 0.82 -0.07 3.49 3.64 -1.46 -1.64 116.57 123.23 3ktl h LYS 117 Ca 0.00 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3ktl h LYS 117 Cb 0.45 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3ktl h LYS 117 CO 0.00 0.71 0.03 -0.44 -2.27 0.00 0.00 179.45 177.48 3ktl h ASP 118 N 0.75 0.09 0.37 4.20 5.19 -1.84 -1.22 116.42 123.96 3ktl h ASP 118 Ca 0.19 -0.11 -0.10 0.00 -0.62 0.00 0.00 57.03 56.38 3ktl h ASP 118 Cb 0.19 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 3ktl h ASP 118 CO -0.02 0.18 -0.43 0.00 -3.12 0.00 0.00 179.24 175.85 3ktl h ALA 119 N 0.91 1.21 -0.05 3.45 0.00 -1.86 -1.66 119.26 121.26 3ktl h ALA 119 Ca 0.02 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 3ktl h ALA 119 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ktl h ALA 119 CO -0.00 0.57 -0.12 -0.22 0.00 0.00 0.00 179.25 179.48 3ktl h LYS 120 N 0.07 0.17 -0.67 0.00 3.64 -0.75 -1.38 116.57 117.66 3ktl h LYS 120 Ca 0.00 -0.11 0.13 0.00 -1.27 0.00 0.00 60.65 59.40 3ktl h LYS 120 Cb 0.80 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.54 3ktl h LYS 120 CO 0.06 0.72 0.16 1.25 -2.27 0.00 0.00 179.45 179.37 3ktl h LEU 121 N -0.36 0.04 -0.29 5.20 5.85 -1.23 -0.84 115.31 123.68 3ktl h LEU 121 Ca -0.00 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3ktl h LEU 121 Cb 0.72 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3ktl h LEU 121 CO 0.03 0.01 0.13 0.00 -0.34 0.00 0.00 178.44 178.26 3ktl h ALA 122 N 1.53 0.38 -0.86 1.25 0.00 -1.10 -0.92 119.26 119.54 3ktl h ALA 122 Ca 0.36 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.26 3ktl h ALA 122 Cb 0.56 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3ktl h ALA 122 CO -0.44 -0.05 0.56 1.25 0.00 0.00 0.00 179.25 180.57 3ktl h LEU 123 N 0.33 0.76 -0.17 0.00 5.85 -0.96 -1.21 115.31 119.92 3ktl h LEU 123 Ca 0.10 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 3ktl h LEU 123 Cb 0.14 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3ktl h LEU 123 CO -0.01 0.45 -0.28 0.40 -0.34 0.00 0.00 178.44 178.66 3ktl h ILE 124 N 0.84 1.35 -0.27 4.05 2.04 -0.47 -1.12 117.51 123.93 3ktl h ILE 124 Ca 0.39 -1.51 -0.06 0.00 1.00 0.00 0.00 64.86 64.68 3ktl h ILE 124 Cb 0.40 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 3ktl h ILE 124 CO -0.16 0.46 -0.10 0.11 0.00 0.00 0.00 178.15 178.45 3ktl h LYS 125 N 0.13 0.45 -0.08 2.37 1.57 -0.90 -0.78 116.57 119.32 3ktl h LYS 125 Ca 0.01 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3ktl h LYS 125 Cb 0.86 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 3ktl h LYS 125 CO 0.06 0.55 0.01 1.49 -0.57 0.00 0.00 179.45 180.99 3ktl h GLU 126 N 0.42 0.14 -0.45 3.15 4.22 -0.92 -2.25 114.58 118.88 3ktl h GLU 126 Ca 0.08 -0.04 -0.09 0.00 0.08 0.00 0.00 59.36 59.39 3ktl h GLU 126 Cb 0.44 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3ktl h GLU 126 CO 0.02 0.38 -0.08 0.87 -2.18 0.00 0.00 179.01 178.02 3ktl h LYS 127 N -0.13 0.78 -0.22 1.92 1.57 -0.93 -0.19 116.57 119.38 3ktl h LYS 127 Ca 0.02 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3ktl h LYS 127 Cb 0.32 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3ktl h LYS 127 CO 0.00 0.85 0.08 0.82 -0.57 0.00 0.00 179.45 180.63 3ktl h ILE 128 N 0.72 0.96 -0.14 1.86 2.04 -1.07 0.19 117.51 122.07 3ktl h ILE 128 Ca 0.13 -0.06 -0.14 0.00 1.00 0.00 0.00 64.86 65.79 3ktl h ILE 128 Cb 0.56 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3ktl h ILE 128 CO 0.03 0.03 -0.44 0.50 0.00 0.00 0.00 178.15 178.28 3ktl h LYS 129 N 0.19 0.54 0.00 2.37 1.63 -1.20 -0.26 116.57 119.84 3ktl h LYS 129 Ca 0.09 -0.40 -0.07 0.00 -0.85 0.00 0.00 60.65 59.43 3ktl h LYS 129 Cb 0.05 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 3ktl h LYS 129 CO -0.09 1.02 -1.68 0.09 -3.45 0.00 0.00 179.45 175.34 3ktl n ASN 130 N -4.26 0.37 0.02 4.20 3.02 -0.10 -4.33 115.26 114.18 3ktl n ASN 130 Ca -0.07 0.15 -0.01 0.00 -0.03 0.00 0.00 54.58 54.62 3ktl n ASN 130 Cb 0.56 1.18 -0.00 0.00 -0.61 0.00 0.00 39.78 40.91 3ktl n ASN 130 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3ktl n ARG 131 N -2.53 0.06 -0.05 3.52 0.63 0.11 -4.76 116.66 113.65 3ktl n ARG 131 Ca -0.07 0.02 -0.13 0.00 -0.92 0.00 0.00 57.85 56.76 3ktl n ARG 131 Cb 0.67 -0.48 -0.11 0.00 0.45 0.00 0.00 32.46 32.99 3ktl n ARG 131 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3ktl h TYR 132 N -0.12 -0.02 -0.80 -0.14 0.05 -0.83 -2.93 116.97 112.19 3ktl h TYR 132 Ca 0.00 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 3ktl h TYR 132 Cb 0.12 0.01 -0.04 0.00 1.01 0.00 0.00 36.73 37.83 3ktl h TYR 132 CO -0.05 0.78 0.44 0.74 -1.05 0.00 0.00 178.16 179.01 3ktl h PHE 133 N -0.89 1.10 -0.79 4.88 -1.00 -1.23 -2.30 116.94 116.72 3ktl h PHE 133 Ca -0.00 -0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.71 3ktl h PHE 133 Cb 0.80 -0.35 -0.04 0.00 3.61 0.00 0.00 35.95 39.97 3ktl h PHE 133 CO 0.21 0.77 0.35 -1.35 -1.61 0.00 0.00 178.31 176.69 3ktl h PRO 134 N 1.11 1.15 -0.80 1.51 0.11 -1.75 -0.38 132.00 132.95 3ktl h PRO 134 Ca 0.28 -0.18 0.08 0.00 0.11 0.00 0.00 66.00 66.29 3ktl h PRO 134 Cb 0.04 -0.20 -0.07 0.00 0.11 0.00 0.00 31.00 30.88 3ktl h PRO 134 CO -0.04 0.90 0.46 0.00 -0.21 0.00 0.00 178.00 179.11 3ktl h ALA 135 N 1.25 1.11 0.02 -0.75 0.00 -1.22 0.22 119.26 119.89 3ktl h ALA 135 Ca 0.27 0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.92 3ktl h ALA 135 Cb 0.15 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3ktl h ALA 135 CO -0.03 0.13 -1.52 0.74 0.00 0.00 0.00 179.25 178.57 3ktl h PHE 136 N 0.81 0.08 -0.71 0.00 0.04 -1.22 -2.74 116.94 113.21 3ktl h PHE 136 Ca 0.37 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 61.07 3ktl h PHE 136 Cb 0.27 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 3ktl h PHE 136 CO -0.06 1.08 0.40 1.49 -0.60 0.00 0.00 178.31 180.63 3ktl h GLU 137 N 0.01 0.97 -0.40 1.51 4.57 -0.95 -2.49 114.58 117.80 3ktl h GLU 137 Ca -0.22 -0.10 0.08 0.00 -1.18 0.00 0.00 59.36 57.93 3ktl h GLU 137 Cb 1.95 -0.20 -0.07 0.00 -0.16 0.00 0.00 28.75 30.28 3ktl h GLU 137 CO 0.10 0.72 -0.03 -0.22 -1.18 0.00 0.00 179.01 178.40 3ktl h LYS 138 N 0.97 0.07 -0.03 1.92 3.64 -0.89 -0.32 116.57 121.93 3ktl h LYS 138 Ca 0.25 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 3ktl h LYS 138 Cb 0.01 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 3ktl h LYS 138 CO -0.04 0.05 -0.29 0.28 -2.27 0.00 0.00 179.45 177.17 3ktl h VAL 139 N 0.08 0.35 -0.43 2.00 2.07 -1.18 -0.10 116.25 119.03 3ktl h VAL 139 Ca 0.20 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.66 3ktl h VAL 139 Cb 0.29 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3ktl h VAL 139 CO -0.35 0.00 0.03 -0.07 0.02 0.00 0.00 177.57 177.20 3ktl h LEU 140 N -0.42 0.64 -0.65 2.57 3.38 -1.30 -2.70 115.31 116.82 3ktl h LEU 140 Ca 0.07 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 3ktl h LEU 140 Cb 0.52 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3ktl h LEU 140 CO -0.27 0.69 -0.47 0.50 0.09 0.00 0.00 178.44 178.98 3ktl h LYS 141 N 0.65 0.50 -0.53 1.13 3.64 -0.69 0.12 116.57 121.39 3ktl h LYS 141 Ca 0.14 -0.28 0.05 0.00 -1.27 0.00 0.00 60.65 59.29 3ktl h LYS 141 Cb 0.35 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 3ktl h LYS 141 CO 0.01 0.87 0.25 0.66 -2.27 0.00 0.00 179.45 178.97 3ktl h SER 142 N 0.40 0.34 0.00 4.20 4.64 -0.69 -3.27 113.55 119.17 3ktl h SER 142 Ca 0.02 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3ktl h SER 142 Cb 0.98 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3ktl h SER 142 CO 0.09 0.23 -1.32 0.00 -0.87 0.00 0.00 176.83 174.96 3ktl n HIS 143 N -4.90 0.00 -0.90 4.77 1.44 -1.16 -5.00 115.22 109.48 3ktl n HIS 143 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 3ktl n HIS 143 Cb 0.16 -0.21 0.00 0.00 0.12 0.00 0.00 29.99 30.06 3ktl n HIS 143 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3ktl n GLY 144 N 1.68 0.46 3.91 -1.39 0.00 0.41 -4.99 105.19 105.28 3ktl n GLY 144 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3ktl n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ktl s GLN 145 N -0.58 3.58 0.56 1.61 -0.21 -1.26 -5.00 119.66 118.36 3ktl s GLN 145 Ca 0.00 0.01 0.26 0.00 0.02 0.00 0.00 55.36 55.65 3ktl s GLN 145 Cb 0.00 -2.55 1.50 0.00 1.00 0.00 0.00 33.01 32.96 3ktl s GLN 145 CO 0.00 0.05 2.05 -0.44 -2.12 0.00 0.00 175.29 174.83 3ktl h ASP 146 N 0.97 0.00 -3.08 5.90 5.19 -1.94 -3.45 116.42 120.01 3ktl h ASP 146 Ca -0.48 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.28 3ktl h ASP 146 Cb 1.20 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.53 3ktl h ASP 146 CO 0.63 0.00 -0.81 -0.31 -3.12 0.00 0.00 179.24 175.63 3ktl s TYR 147 N -4.82 2.31 0.17 4.55 2.02 -1.26 -4.93 117.35 115.38 3ktl s TYR 147 Ca -0.05 -0.35 -0.13 0.00 -0.37 0.00 0.00 57.07 56.17 3ktl s TYR 147 Cb 0.17 -1.13 0.07 0.00 -0.40 0.00 0.00 41.96 40.67 3ktl s TYR 147 CO 0.63 0.53 1.78 -0.07 -1.57 0.00 0.00 175.55 176.85 3ktl h LEU 148 N 3.09 0.69 -7.99 -1.29 3.38 -1.86 -3.42 115.31 107.92 3ktl h LEU 148 Ca -0.46 -0.09 -0.40 0.00 0.09 0.00 0.00 57.88 57.02 3ktl h LEU 148 Cb 1.21 -0.18 -0.30 0.00 0.09 0.00 0.00 40.66 41.49 3ktl h LEU 148 CO 0.49 0.59 -0.78 -0.69 0.09 0.00 0.00 178.44 178.14 3ktl s VAL 149 N -5.85 0.69 -1.82 1.22 1.01 -1.26 -4.85 120.40 109.54 3ktl s VAL 149 Ca -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3ktl s VAL 149 Cb 0.12 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.91 3ktl s VAL 149 CO 0.77 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.68 3ktl n GLY 150 N 3.05 1.68 4.27 4.51 0.00 -1.26 -2.98 105.19 114.47 3ktl n GLY 150 Ca -0.15 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 3ktl n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ktl n ASN 151 N -0.95 -2.98 -3.60 1.61 5.15 -1.26 -4.93 115.26 108.30 3ktl n ASN 151 Ca -0.17 -1.05 -0.16 0.00 -0.60 0.00 0.00 54.58 52.60 3ktl n ASN 151 Cb 0.59 -2.57 -0.07 0.00 -0.53 0.00 0.00 39.78 37.20 3ktl n ASN 151 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3ktl s LYS 152 N -6.98 0.90 0.04 1.20 2.20 -1.16 -4.88 119.74 111.06 3ktl s LYS 152 Ca 0.74 0.40 -0.36 0.00 -0.36 0.00 0.00 55.97 56.38 3ktl s LYS 152 Cb -0.41 0.42 -0.15 0.00 -1.51 0.00 0.00 37.83 36.18 3ktl s LYS 152 CO 0.94 -0.23 1.52 -0.11 -0.36 0.00 0.00 175.35 177.12 3ktl n LEU 153 N 1.57 2.35 -4.39 5.43 7.94 -1.26 -4.62 117.00 124.01 3ktl n LEU 153 Ca -0.18 1.09 -0.21 0.00 -1.11 0.00 0.00 56.01 55.60 3ktl n LEU 153 Cb 0.56 -1.27 -0.09 0.00 0.53 0.00 0.00 43.42 43.16 3ktl n LEU 153 CO 0.18 -0.64 -0.19 -0.94 -1.11 0.00 0.00 177.39 174.69 3ktl s SER 154 N 1.41 2.00 0.43 1.96 1.04 -1.26 -4.73 113.70 114.55 3ktl s SER 154 Ca 0.86 -1.60 0.25 0.00 0.48 0.00 0.00 55.95 55.93 3ktl s SER 154 Cb -0.87 0.41 1.27 0.00 0.10 0.00 0.00 66.02 66.93 3ktl s SER 154 CO 0.47 -0.90 1.72 -0.09 0.98 0.00 0.00 173.24 175.42 3ktl h ARG 155 N 2.06 0.23 -0.77 4.02 2.43 -1.29 -2.24 114.38 118.82 3ktl h ARG 155 Ca -0.34 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.76 3ktl h ARG 155 Cb 1.25 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 3ktl h ARG 155 CO 0.53 0.15 0.27 0.00 -1.51 0.00 0.00 179.97 179.41 3ktl h ALA 156 N 1.59 1.01 -0.41 2.80 0.00 -1.91 0.47 119.26 122.80 3ktl h ALA 156 Ca 0.68 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.32 3ktl h ALA 156 Cb 1.99 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 3ktl h ALA 156 CO -0.31 0.67 0.04 -0.44 0.00 0.00 0.00 179.25 179.21 3ktl h ASP 157 N 1.14 0.67 -0.13 0.00 3.32 -1.81 -1.30 116.42 118.32 3ktl h ASP 157 Ca 0.25 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 3ktl h ASP 157 Cb 0.27 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3ktl h ASP 157 CO -0.01 0.79 -0.06 0.40 -1.72 0.00 0.00 179.24 178.63 3ktl h ILE 158 N 0.53 1.32 -0.15 0.35 1.08 -1.46 -0.37 117.51 118.82 3ktl h ILE 158 Ca 0.12 -1.09 -0.05 0.00 -0.39 0.00 0.00 64.86 63.46 3ktl h ILE 158 Cb 0.42 1.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 3ktl h ILE 158 CO 0.01 0.31 -0.11 0.45 -0.69 0.00 0.00 178.15 178.12 3ktl h HIS 159 N -0.08 0.23 -0.14 1.37 3.86 -0.88 -0.94 115.15 118.57 3ktl h HIS 159 Ca 0.03 -0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 3ktl h HIS 159 Cb 0.52 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 28.93 3ktl h HIS 159 CO 0.07 0.34 -0.58 1.25 0.86 0.00 0.00 177.93 179.87 3ktl h LEU 160 N 0.22 0.76 -0.38 2.43 5.85 -1.03 -2.50 115.31 120.65 3ktl h LEU 160 Ca 0.05 -0.62 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 3ktl h LEU 160 Cb 0.34 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3ktl h LEU 160 CO 0.02 1.25 0.19 0.58 -0.34 0.00 0.00 178.44 180.14 3ktl h VAL 161 N 0.32 1.17 -0.60 1.05 2.07 -0.72 -0.25 116.25 119.29 3ktl h VAL 161 Ca -0.03 -0.48 0.12 0.00 0.82 0.00 0.00 66.70 67.13 3ktl h VAL 161 Cb 1.22 0.78 -0.11 0.00 -1.52 0.00 0.00 31.29 31.66 3ktl h VAL 161 CO 0.12 0.18 -0.10 -0.08 0.02 0.00 0.00 177.57 177.71 3ktl h GLU 162 N 0.48 0.03 -0.94 1.57 4.81 -1.22 -1.25 114.58 118.07 3ktl h GLU 162 Ca 0.13 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3ktl h GLU 162 Cb 0.12 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 3ktl h GLU 162 CO -0.02 0.02 0.61 1.25 -0.73 0.00 0.00 179.01 180.14 3ktl h LEU 163 N 0.03 1.02 -1.14 1.64 5.85 -0.87 -2.65 115.31 119.20 3ktl h LEU 163 Ca 0.30 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.04 3ktl h LEU 163 Cb 0.46 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3ktl h LEU 163 CO -0.59 0.70 0.59 -0.07 -0.34 0.00 0.00 178.44 178.73 3ktl h LEU 164 N 1.19 0.96 -0.80 2.25 3.38 0.11 0.79 115.31 123.19 3ktl h LEU 164 Ca 0.37 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.39 3ktl h LEU 164 Cb -0.01 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 3ktl h LEU 164 CO -0.12 0.66 0.48 1.88 0.09 0.00 0.00 178.44 181.43 3ktl h TYR 165 N 1.12 0.88 -0.28 1.13 -1.99 -1.07 -1.01 116.97 115.75 3ktl h TYR 165 Ca 0.35 0.03 -0.16 0.00 2.00 0.00 0.00 58.73 60.96 3ktl h TYR 165 Cb 0.02 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.46 3ktl h TYR 165 CO -0.00 0.43 -0.46 1.88 -0.00 0.00 0.00 178.16 180.01 3ktl h TYR 166 N 0.87 0.88 -0.89 4.88 0.05 -1.01 -2.16 116.97 119.59 3ktl h TYR 166 Ca 0.35 -0.28 0.03 0.00 0.05 0.00 0.00 58.73 58.89 3ktl h TYR 166 Cb 0.20 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 37.71 3ktl h TYR 166 CO -0.05 1.04 0.57 0.28 -1.05 0.00 0.00 178.16 178.96 3ktl h VAL 167 N 0.58 1.15 -0.78 -2.88 2.07 -0.78 -2.16 116.25 113.44 3ktl h VAL 167 Ca 0.03 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3ktl h VAL 167 Cb 1.01 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3ktl h VAL 167 CO 0.10 0.20 0.44 -0.08 0.02 0.00 0.00 177.57 178.25 3ktl h GLU 168 N 1.12 1.09 -0.01 1.57 4.81 -0.89 -0.63 114.58 121.63 3ktl h GLU 168 Ca 0.35 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 3ktl h GLU 168 Cb -0.00 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 3ktl h GLU 168 CO -0.11 0.80 -0.23 0.93 -0.73 0.00 0.00 179.01 179.67 3ktl h GLU 169 N 1.08 0.02 -0.00 1.92 5.08 -0.90 -2.92 114.58 118.86 3ktl h GLU 169 Ca 0.28 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 3ktl h GLU 169 Cb 0.02 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3ktl h GLU 169 CO -0.05 0.25 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.10 3ktl h LEU 170 N 0.02 0.04 -6.00 1.33 3.38 -0.69 -3.46 115.31 109.93 3ktl h LEU 170 Ca 0.00 -0.77 0.13 0.00 0.09 0.00 0.00 57.88 57.33 3ktl h LEU 170 Cb 0.41 -0.01 -0.21 0.00 0.09 0.00 0.00 40.66 40.94 3ktl h LEU 170 CO 0.03 0.80 -0.16 -0.62 0.09 0.00 0.00 178.44 178.57 3ktl s ASP 171 N -6.03 -1.11 0.59 -0.43 -1.08 -0.34 -5.05 116.67 103.21 3ktl s ASP 171 Ca -0.17 0.54 0.36 0.00 -0.52 0.00 0.00 52.55 52.76 3ktl s ASP 171 Cb -0.01 1.87 1.80 0.00 -1.46 0.00 0.00 42.92 45.13 3ktl s ASP 171 CO 0.69 -0.21 2.17 0.77 0.52 0.00 0.00 175.17 179.11 3ktl h SER 172 N 7.94 0.00 1.14 -0.34 4.64 -1.71 -2.20 113.55 123.03 3ktl h SER 172 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3ktl h SER 172 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3ktl h SER 172 CO 0.12 0.04 0.00 0.77 -0.87 0.00 0.00 176.83 176.89 3ktl h SER 173 N 0.00 0.00 -0.19 4.97 4.64 -1.92 -3.37 113.55 117.68 3ktl h SER 173 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3ktl h SER 173 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3ktl h SER 173 CO 0.00 0.00 0.05 -0.07 -0.87 0.00 0.00 176.83 175.95 3ktl h LEU 174 N 0.00 0.35 -0.02 5.97 3.38 -1.74 -0.79 115.31 122.47 3ktl h LEU 174 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ktl h LEU 174 Cb 0.57 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ktl h LEU 174 CO 0.00 0.37 -0.22 0.00 0.09 0.00 0.00 178.44 178.68 3ktl n ILE 175 N -4.37 0.00 0.12 1.22 3.06 -1.26 -4.46 119.36 113.66 3ktl n ILE 175 Ca 0.01 -0.01 0.16 0.00 -2.50 0.00 0.00 62.75 60.41 3ktl n ILE 175 Cb 0.17 -0.15 0.70 0.00 0.54 0.00 0.00 39.64 40.91 3ktl n ILE 175 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 3ktl h SER 176 N 0.06 0.00 -0.39 9.51 4.64 -1.36 0.12 113.55 126.12 3ktl h SER 176 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ktl h SER 176 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3ktl h SER 176 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 3ktl n SER 177 N -4.31 2.42 -3.56 4.97 3.41 -1.26 -4.64 113.62 110.66 3ktl n SER 177 Ca 0.04 -2.09 -0.27 0.00 -0.26 0.00 0.00 58.87 56.29 3ktl n SER 177 Cb 0.39 -0.33 -0.09 0.00 -0.26 0.00 0.00 64.21 63.92 3ktl n SER 177 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ktl n PHE 178 N 0.63 2.53 0.01 7.33 3.72 0.42 -4.95 117.46 127.14 3ktl n PHE 178 Ca 0.14 -4.05 0.01 0.00 -0.05 0.00 0.00 57.45 53.50 3ktl n PHE 178 Cb 0.42 -0.47 0.32 0.00 -0.94 0.00 0.00 39.48 38.81 3ktl n PHE 178 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3ktl h PRO 179 N 4.73 0.51 -0.13 -1.08 0.13 -1.82 -1.25 132.00 133.09 3ktl h PRO 179 Ca 0.17 -0.10 -0.19 0.00 -0.87 0.00 0.00 66.00 65.01 3ktl h PRO 179 Cb 0.75 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3ktl h PRO 179 CO 0.70 0.51 -0.72 -0.07 -0.23 0.00 0.00 178.00 178.19 3ktl h LEU 180 N 0.50 0.67 -0.83 1.56 3.38 -1.95 -1.79 115.31 116.85 3ktl h LEU 180 Ca 0.11 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 3ktl h LEU 180 Cb 0.27 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3ktl h LEU 180 CO 0.00 1.19 0.32 -0.07 0.09 0.00 0.00 178.44 179.97 3ktl h LEU 181 N 0.40 1.08 -0.66 1.67 3.38 -1.86 -1.61 115.31 117.71 3ktl h LEU 181 Ca -0.03 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 3ktl h LEU 181 Cb 1.31 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3ktl h LEU 181 CO 0.13 0.96 0.23 0.11 0.09 0.00 0.00 178.44 179.96 3ktl h LYS 182 N 1.15 1.01 -0.18 1.13 1.57 -1.01 -1.33 116.57 118.91 3ktl h LYS 182 Ca 0.26 -0.20 -0.15 0.00 -1.87 0.00 0.00 60.65 58.69 3ktl h LYS 182 Cb 0.21 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3ktl h LYS 182 CO -0.02 0.87 -0.53 0.00 -0.57 0.00 0.00 179.45 179.20 3ktl h ALA 183 N 1.10 0.75 0.11 3.86 0.00 -1.08 -2.46 119.26 121.54 3ktl h ALA 183 Ca 0.22 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3ktl h ALA 183 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ktl h ALA 183 CO -0.01 0.68 -0.06 1.25 0.00 0.00 0.00 179.25 181.12 3ktl h LEU 184 N 0.40 -0.13 -0.63 0.00 5.85 -1.17 -1.27 115.31 118.37 3ktl h LEU 184 Ca 0.01 -0.14 0.13 0.00 0.84 0.00 0.00 57.88 58.73 3ktl h LEU 184 Cb 1.05 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 42.01 3ktl h LEU 184 CO 0.10 0.06 -0.05 0.50 -0.34 0.00 0.00 178.44 178.71 3ktl h LYS 185 N -0.32 0.07 0.22 1.25 3.64 -0.99 0.17 116.57 120.61 3ktl h LYS 185 Ca -0.02 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3ktl h LYS 185 Cb 0.26 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3ktl h LYS 185 CO 0.03 0.05 -0.19 1.15 -2.27 0.00 0.00 179.45 178.22 3ktl h THR 186 N 0.07 0.59 0.01 1.00 2.02 -1.30 -1.06 112.91 114.26 3ktl h THR 186 Ca 0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.51 3ktl h THR 186 Cb 0.53 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3ktl h THR 186 CO -0.58 0.00 -0.01 0.03 0.37 0.00 0.00 175.52 175.33 3ktl h ARG 187 N -0.42 -0.02 -0.62 6.66 3.08 -0.92 -1.58 114.38 120.56 3ktl h ARG 187 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3ktl h ARG 187 Cb 0.39 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3ktl h ARG 187 CO -0.03 -0.02 0.20 0.82 -1.07 0.00 0.00 179.97 179.88 3ktl h ILE 188 N -0.03 1.23 0.00 2.04 1.08 -0.96 -2.20 117.51 118.68 3ktl h ILE 188 Ca 0.00 -0.78 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 3ktl h ILE 188 Cb 0.02 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 3ktl h ILE 188 CO -0.00 0.30 0.00 -1.20 -0.69 0.00 0.00 178.15 176.56 3ktl n SER 189 N -4.29 0.69 -0.25 1.72 7.64 -0.40 -1.87 113.62 116.86 3ktl n SER 189 Ca 0.05 0.66 0.11 0.00 1.01 0.00 0.00 58.87 60.70 3ktl n SER 189 Cb 0.20 -0.81 0.03 0.00 -1.01 0.00 0.00 64.21 62.62 3ktl n SER 189 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3ktl n ASN 190 N -2.25 1.40 -4.74 6.43 3.02 -0.63 -3.55 115.26 114.93 3ktl n ASN 190 Ca 0.02 -1.14 -0.41 0.00 -0.03 0.00 0.00 54.58 53.02 3ktl n ASN 190 Cb 0.25 0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 39.98 3ktl n ASN 190 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ktl s LEU 191 N -2.71 4.38 0.28 3.41 1.43 -0.78 -4.76 118.68 119.93 3ktl s LEU 191 Ca 0.15 2.68 0.02 0.00 -1.03 0.00 0.00 54.13 55.95 3ktl s LEU 191 Cb 0.17 -3.62 0.60 0.00 0.03 0.00 0.00 46.19 43.37 3ktl s LEU 191 CO 0.68 -0.73 1.80 -0.65 0.23 0.00 0.00 176.35 177.68 3ktl h PRO 192 N 5.19 0.80 -0.71 1.29 0.10 -1.91 -0.64 132.00 136.11 3ktl h PRO 192 Ca -0.46 -0.05 -0.04 0.00 0.10 0.00 0.00 66.00 65.55 3ktl h PRO 192 Cb 1.22 -0.18 -0.03 0.00 0.10 0.00 0.00 31.00 32.10 3ktl h PRO 192 CO 0.79 0.53 0.28 1.79 0.10 0.00 0.00 178.00 181.49 3ktl h THR 193 N 0.83 1.25 -0.22 -1.15 1.35 -1.88 -2.37 112.91 110.72 3ktl h THR 193 Ca 0.51 -0.79 -0.19 0.00 -0.55 0.00 0.00 66.41 65.40 3ktl h THR 193 Cb 0.65 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 3ktl h THR 193 CO -0.32 0.31 -0.61 0.58 -0.25 0.00 0.00 175.52 175.23 3ktl h VAL 194 N 1.02 1.30 -0.76 6.82 2.07 -1.56 -2.21 116.25 122.92 3ktl h VAL 194 Ca 0.24 -1.84 0.02 0.00 0.82 0.00 0.00 66.70 65.94 3ktl h VAL 194 Cb 0.22 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 3ktl h VAL 194 CO -0.02 0.58 0.49 0.50 0.02 0.00 0.00 177.57 179.14 3ktl h LYS 195 N 0.55 0.94 -0.48 1.57 3.64 -1.12 0.01 116.57 121.67 3ktl h LYS 195 Ca -0.01 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 3ktl h LYS 195 Cb 1.21 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 3ktl h LYS 195 CO 0.13 0.62 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.68 3ktl h LYS 196 N 0.97 0.83 0.00 1.90 3.64 -1.23 -2.36 116.57 120.32 3ktl h LYS 196 Ca 0.29 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3ktl h LYS 196 Cb -0.04 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3ktl h LYS 196 CO -0.09 0.85 -0.32 0.35 -2.27 0.00 0.00 179.45 177.97 3ktl h PHE 197 N 0.76 0.00 0.00 1.91 3.57 -0.62 -2.84 116.94 119.73 3ktl h PHE 197 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3ktl h PHE 197 Cb 0.50 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.24 3ktl h PHE 197 CO 0.03 0.32 -0.65 1.28 -2.23 0.00 0.00 178.31 177.06 3ktl n LEU 198 N -3.67 0.61 -4.78 0.59 4.77 -0.12 -4.36 117.00 110.04 3ktl n LEU 198 Ca -0.01 0.11 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 3ktl n LEU 198 Cb 0.43 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.36 3ktl n LEU 198 CO 0.36 0.02 0.74 -1.10 -1.33 0.00 0.00 177.39 176.07 3ktl s GLN 199 N -3.11 2.99 0.52 3.23 -0.21 -0.92 -4.98 119.66 117.17 3ktl s GLN 199 Ca 0.07 1.34 -0.21 0.00 0.02 0.00 0.00 55.36 56.59 3ktl s GLN 199 Cb 0.15 -1.98 -0.08 0.00 1.00 0.00 0.00 33.01 32.10 3ktl s GLN 199 CO 0.73 -1.09 0.91 -2.30 -2.12 0.00 0.00 175.29 171.42 3ktl n PRO 200 N -2.25 1.02 -0.69 2.91 -0.02 -1.26 -3.06 135.00 131.65 3ktl n PRO 200 Ca 0.10 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3ktl n PRO 200 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3ktl n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ktl n GLY 201 N 1.32 1.61 3.56 -1.23 0.00 -1.26 -5.05 105.19 104.14 3ktl n GLY 201 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3ktl n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ktl s SER 202 N -3.30 1.25 0.00 1.61 1.04 -1.17 -4.93 113.70 108.20 3ktl s SER 202 Ca 0.00 1.04 0.18 0.00 0.48 0.00 0.00 55.95 57.65 3ktl s SER 202 Cb 0.00 -1.58 1.06 0.00 0.10 0.00 0.00 66.02 65.60 3ktl s SER 202 CO 0.00 -3.97 1.50 -2.65 0.98 0.00 0.00 173.24 169.10 3ktl n PRO 203 N -4.71 0.71 -1.70 4.02 -0.02 -1.26 -4.86 135.00 127.18 3ktl n PRO 203 Ca 0.08 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.13 3ktl n PRO 203 Cb 0.58 -1.39 -0.01 0.00 -0.02 0.00 0.00 33.50 32.66 3ktl n PRO 203 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3ktl n ARG 204 N -0.89 2.14 -3.98 -0.52 0.63 -1.26 -4.98 116.66 107.79 3ktl n ARG 204 Ca 0.13 0.75 -0.28 0.00 -0.92 0.00 0.00 57.85 57.53 3ktl n ARG 204 Cb 0.06 -2.34 -0.04 0.00 0.45 0.00 0.00 32.46 30.59 3ktl n ARG 204 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3ktl s LYS 205 N -1.89 3.24 0.84 -0.14 -0.14 -1.26 -5.02 119.74 115.37 3ktl s LYS 205 Ca 0.55 -0.63 -0.13 0.00 -1.36 0.00 0.00 55.97 54.40 3ktl s LYS 205 Cb -0.56 -2.88 0.10 0.00 -1.68 0.00 0.00 37.83 32.81 3ktl s LYS 205 CO 0.62 0.54 1.20 -1.25 -0.76 0.00 0.00 175.35 175.71 3ktl s PRO 206 N -2.91 1.69 0.75 -1.68 0.04 -1.26 -4.87 135.00 126.76 3ktl s PRO 206 Ca 0.33 0.03 -0.15 0.00 0.04 0.00 0.00 61.00 61.25 3ktl s PRO 206 Cb -0.11 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.54 3ktl s PRO 206 CO 0.26 -1.77 1.20 -2.30 0.04 0.00 0.00 177.00 174.43 3ktl n PRO 207 N -3.42 0.53 -2.55 0.56 -0.02 -1.26 -4.42 135.00 124.42 3ktl n PRO 207 Ca 0.09 0.25 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 3ktl n PRO 207 Cb 0.61 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 3ktl n PRO 207 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3ktl s MET 208 N -3.77 4.29 0.51 -0.52 1.75 -1.26 -5.00 119.30 115.31 3ktl s MET 208 Ca 0.76 1.52 0.06 0.00 -1.25 0.00 0.00 55.69 56.78 3ktl s MET 208 Cb -0.33 -3.65 0.09 0.00 2.84 0.00 0.00 34.83 33.78 3ktl s MET 208 CO 0.47 -0.57 0.71 -0.40 -0.65 0.00 0.00 175.02 174.58 3ktl n ASP 209 N 6.00 1.56 -0.08 1.11 5.68 -1.26 -4.90 116.55 124.66 3ktl n ASP 209 Ca 0.12 -2.17 -0.09 0.00 -0.50 0.00 0.00 54.79 52.15 3ktl n ASP 209 Cb 0.46 -0.40 -0.02 0.00 -1.14 0.00 0.00 41.12 40.02 3ktl n ASP 209 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3ktl h GLU 210 N 0.00 0.33 -0.50 0.11 4.39 -1.99 -0.35 114.58 116.56 3ktl h GLU 210 Ca -0.24 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.50 3ktl h GLU 210 Cb 1.02 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.55 3ktl h GLU 210 CO 0.31 0.22 0.21 0.87 -1.16 0.00 0.00 179.01 179.46 3ktl h LYS 211 N 0.34 0.40 -0.69 2.33 1.57 -1.99 -0.48 116.57 118.04 3ktl h LYS 211 Ca 0.11 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3ktl h LYS 211 Cb -0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3ktl h LYS 211 CO -0.05 0.26 0.19 1.03 -0.57 0.00 0.00 179.45 180.32 3ktl h SER 212 N 0.41 1.02 -0.96 0.86 0.87 -1.85 -1.15 113.55 112.75 3ktl h SER 212 Ca 0.23 -0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3ktl h SER 212 Cb 0.21 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 3ktl h SER 212 CO -0.21 0.96 0.62 0.25 -0.53 0.00 0.00 176.83 177.93 3ktl h LEU 213 N 1.03 1.11 -0.70 2.23 5.85 -0.35 -1.53 115.31 122.97 3ktl h LEU 213 Ca 0.22 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 3ktl h LEU 213 Cb 0.33 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3ktl h LEU 213 CO -0.00 0.82 0.06 -0.08 -0.34 0.00 0.00 178.44 178.89 3ktl h GLU 214 N 1.31 1.06 -0.87 1.25 4.81 -0.41 -1.47 114.58 120.27 3ktl h GLU 214 Ca 0.35 -0.30 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 3ktl h GLU 214 Cb -0.13 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.08 3ktl h GLU 214 CO -0.07 1.00 0.55 1.49 -0.73 0.00 0.00 179.01 181.24 3ktl h GLU 215 N 0.99 0.98 -0.20 1.92 4.81 -0.96 -2.30 114.58 119.81 3ktl h GLU 215 Ca 0.19 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 3ktl h GLU 215 Cb 0.49 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3ktl h GLU 215 CO 0.02 0.65 -0.02 0.00 -0.73 0.00 0.00 179.01 178.93 3ktl h ALA 216 N 1.39 0.16 -0.33 2.92 0.00 -0.29 0.73 119.26 123.84 3ktl h ALA 216 Ca 0.37 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 3ktl h ALA 216 Cb 0.12 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3ktl h ALA 216 CO -0.16 -0.45 0.09 0.00 0.00 0.00 0.00 179.25 178.73 3ktl h ARG 217 N 0.03 0.47 0.15 0.00 3.08 -1.18 0.99 114.38 117.93 3ktl h ARG 217 Ca 0.10 -0.07 -0.26 0.00 0.07 0.00 0.00 59.98 59.82 3ktl h ARG 217 Cb 0.13 -0.09 0.03 0.00 0.08 0.00 0.00 29.97 30.12 3ktl h ARG 217 CO -0.18 0.43 -1.11 0.87 -1.07 0.00 0.00 179.97 178.91 3ktl h LYS 218 N 0.47 0.49 -0.10 0.04 1.57 -0.82 -2.26 116.57 115.96 3ktl h LYS 218 Ca 0.11 -0.73 -0.01 0.00 -1.87 0.00 0.00 60.65 58.16 3ktl h LYS 218 Cb 0.16 0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3ktl h LYS 218 CO -0.01 1.33 0.04 0.82 -0.57 0.00 0.00 179.45 181.06 3ktl h ILE 219 N 0.02 1.15 -0.13 1.86 2.04 -0.48 -3.31 117.51 118.66 3ktl h ILE 219 Ca -0.18 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3ktl h ILE 219 Cb 1.83 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 3ktl h ILE 219 CO 0.21 0.13 0.00 0.49 0.00 0.00 0.00 178.15 178.98 3ktl n PHE 220 N -4.92 0.14 -3.41 1.37 3.72 0.31 -4.31 117.46 110.35 3ktl n PHE 220 Ca -0.06 -0.07 -0.18 0.00 -0.05 0.00 0.00 57.45 57.10 3ktl n PHE 220 Cb 0.12 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.69 3ktl n PHE 220 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3ktl n ARG 221 N 1.15 -1.55 0.00 -1.08 1.74 -0.88 -5.03 116.66 111.02 3ktl n ARG 221 Ca 0.16 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 58.13 3ktl n ARG 221 Cb 0.55 -4.80 0.00 0.00 -1.02 0.00 0.00 32.46 27.19 3ktl n ARG 221 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08