#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ck6 n PHE 3 N 0.00 2.04 0.00 1.61 -1.74 -1.26 -4.90 117.46 113.21 3ck6 n PHE 3 Ca 0.00 -2.28 0.00 0.00 -0.56 0.00 0.00 57.45 54.61 3ck6 n PHE 3 Cb 0.00 -1.97 0.00 0.00 1.52 0.00 0.00 39.48 39.03 3ck6 n PHE 3 CO 0.00 0.00 0.00 -0.89 -0.56 0.00 0.00 176.76 175.31 3ck6 n ILE 5 N 4.74 0.00 -3.56 1.97 5.41 0.84 0.05 119.36 128.81 3ck6 n ILE 5 Ca 0.53 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 64.12 3ck6 n ILE 5 Cb 0.27 -0.16 -0.06 0.00 -0.71 0.00 0.00 39.64 38.98 3ck6 n ILE 5 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3ck6 s GLU 6 N -1.69 1.01 -0.06 0.38 2.12 -0.99 -5.02 118.70 114.46 3ck6 s GLU 6 Ca 0.00 0.09 -0.01 0.00 0.36 0.00 0.00 54.97 55.40 3ck6 s GLU 6 Cb 0.00 0.47 0.03 0.00 0.26 0.00 0.00 34.13 34.89 3ck6 s GLU 6 CO 0.00 -0.33 0.02 -1.58 -0.54 0.00 0.00 175.26 172.84 3ck6 s HIS 7 N -1.52 0.40 0.07 5.30 5.65 -1.26 -0.68 115.29 123.26 3ck6 s HIS 7 Ca -0.10 0.01 0.09 0.00 0.25 0.00 0.00 55.06 55.32 3ck6 s HIS 7 Cb -0.01 -0.64 -0.03 0.00 -1.18 0.00 0.00 32.58 30.72 3ck6 s HIS 7 CO 0.06 -0.26 -0.25 -1.58 -0.65 0.00 0.00 174.74 172.07 3ck6 s TRP 8 N 1.95 2.19 -0.34 3.88 0.52 -0.36 -0.39 118.94 126.39 3ck6 s TRP 8 Ca 0.03 -0.40 -0.08 0.00 0.02 0.00 0.00 56.10 55.68 3ck6 s TRP 8 Cb -0.12 -1.27 0.03 0.00 -1.15 0.00 0.00 33.47 30.95 3ck6 s TRP 8 CO -0.04 0.18 0.13 0.34 0.02 0.00 0.00 176.95 177.58 3ck6 s ASP 9 N -1.49 5.42 -0.25 2.95 -1.08 0.40 -0.66 116.67 121.96 3ck6 s ASP 9 Ca 0.11 -0.96 0.09 0.00 -0.52 0.00 0.00 52.55 51.27 3ck6 s ASP 9 Cb -0.10 -1.93 0.65 0.00 -1.46 0.00 0.00 42.92 40.08 3ck6 s ASP 9 CO 0.03 -0.31 1.61 0.49 0.52 0.00 0.00 175.17 177.51 3ck6 n PHE 10 N 4.89 1.98 0.24 -5.34 3.01 0.17 -2.33 117.46 120.08 3ck6 n PHE 10 Ca -0.13 -0.90 0.07 0.00 1.01 0.00 0.00 57.45 57.50 3ck6 n PHE 10 Cb 0.46 -0.56 0.57 0.00 -0.01 0.00 0.00 39.48 39.94 3ck6 n PHE 10 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3ck6 h SER 11 N 2.62 0.00 -2.09 4.37 0.02 -1.89 -3.42 113.55 113.15 3ck6 h SER 11 Ca 0.15 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.53 3ck6 h SER 11 Cb 1.98 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 64.41 3ck6 h SER 11 CO 0.56 0.11 -0.64 0.42 -1.14 0.00 0.00 176.83 176.14 3ck6 s THR 12 N -4.79 3.06 -0.90 -2.27 -4.23 -1.26 -5.14 115.64 100.11 3ck6 s THR 12 Ca -0.04 -1.96 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 3ck6 s THR 12 Cb 0.16 -2.78 -0.06 0.00 1.34 0.00 0.00 72.50 71.16 3ck6 s THR 12 CO 0.68 -0.31 2.09 -0.81 -0.54 0.00 0.00 174.62 175.73 3ck6 n PRO 13 N -0.91 2.04 -3.78 3.99 -0.04 -1.26 -4.84 135.00 130.19 3ck6 n PRO 13 Ca -0.05 -1.48 -0.13 0.00 -0.04 0.00 0.00 63.50 61.80 3ck6 n PRO 13 Cb 0.60 -2.48 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 3ck6 n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ck6 s ALA 15 N 3.53 -0.66 -0.02 0.55 0.00 -1.26 -4.57 121.76 119.32 3ck6 s ALA 15 Ca 0.40 0.65 0.06 0.00 0.00 0.00 0.00 51.96 53.07 3ck6 s ALA 15 Cb 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 3ck6 s ALA 15 CO -0.02 -0.15 -0.19 0.95 0.00 0.00 0.00 175.76 176.35 3ck6 s THR 16 N -0.16 2.68 0.14 0.00 -4.23 -0.99 -4.91 115.64 108.17 3ck6 s THR 16 Ca -0.03 -0.94 -0.30 0.00 -1.18 0.00 0.00 61.69 59.24 3ck6 s THR 16 Cb -0.03 -2.03 -0.07 0.00 1.34 0.00 0.00 72.50 71.72 3ck6 s THR 16 CO 0.01 0.54 1.00 -1.58 -0.54 0.00 0.00 174.62 174.05 3ck6 s GLN 17 N -0.83 4.68 0.39 3.99 0.74 -1.26 -0.45 119.66 126.91 3ck6 s GLN 17 Ca 0.12 1.53 0.06 0.00 0.05 0.00 0.00 55.36 57.11 3ck6 s GLN 17 Cb -0.10 -3.34 -0.07 0.00 1.10 0.00 0.00 33.01 30.59 3ck6 s GLN 17 CO 0.01 0.20 0.03 -1.21 -0.55 0.00 0.00 175.29 173.76 3ck6 s GLU 18 N -0.18 1.88 0.46 1.67 0.41 0.47 -4.94 118.70 118.47 3ck6 s GLU 18 Ca 0.47 -2.07 -0.24 0.00 -0.41 0.00 0.00 54.97 52.72 3ck6 s GLU 18 Cb -0.25 -1.40 -0.08 0.00 -1.78 0.00 0.00 34.13 30.62 3ck6 s GLU 18 CO 0.31 -0.11 1.30 -2.37 -0.49 0.00 0.00 175.26 173.90 3ck6 n THR 19 N -0.90 2.85 1.02 3.63 5.66 -1.26 -4.35 114.28 120.93 3ck6 n THR 19 Ca -0.05 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.51 3ck6 n THR 19 Cb 0.67 -1.61 0.18 0.00 -1.55 0.00 0.00 70.33 68.01 3ck6 n THR 19 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3ck6 n THR 20 N -0.41 0.40 -2.93 1.09 -2.24 -1.26 -4.09 114.28 104.83 3ck6 n THR 20 Ca 0.07 -0.41 -0.34 0.00 -2.27 0.00 0.00 64.05 61.09 3ck6 n THR 20 Cb 0.41 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 3ck6 n THR 20 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ck6 n THR 21 N 0.41 4.37 -3.36 4.28 -2.24 -1.26 -4.89 114.28 111.59 3ck6 n THR 21 Ca 0.11 -5.72 -0.45 0.00 -2.27 0.00 0.00 64.05 55.72 3ck6 n THR 21 Cb 0.28 -1.68 -0.06 0.00 -2.10 0.00 0.00 70.33 66.76 3ck6 n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ck6 s ALA 22 N -3.49 3.59 0.02 6.98 0.00 -1.26 -4.99 121.76 122.62 3ck6 s ALA 22 Ca 0.41 -2.42 -0.27 0.00 0.00 0.00 0.00 51.96 49.68 3ck6 s ALA 22 Cb 0.19 -3.15 -0.16 0.00 0.00 0.00 0.00 23.12 19.99 3ck6 s ALA 22 CO -0.07 -1.92 1.23 1.05 0.00 0.00 0.00 175.76 176.04 3ck6 h GLU 23 N 8.80 -0.72 -6.12 0.00 4.11 -1.96 -3.43 114.58 115.26 3ck6 h GLU 23 Ca -0.29 0.05 -0.58 0.00 0.07 0.00 0.00 59.36 58.62 3ck6 h GLU 23 Cb 1.10 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 3ck6 h GLU 23 CO 0.97 -0.41 -0.06 -1.01 0.07 0.00 0.00 179.01 178.57 3ck6 s HIS 24 N -4.86 3.74 0.13 2.06 3.76 -1.26 -4.88 115.29 113.98 3ck6 s HIS 24 Ca -0.15 1.18 -0.31 0.00 -0.15 0.00 0.00 55.06 55.64 3ck6 s HIS 24 Cb 0.02 -2.50 -0.08 0.00 1.11 0.00 0.00 32.58 31.13 3ck6 s HIS 24 CO 0.49 0.50 1.32 0.42 -0.85 0.00 0.00 174.74 176.63 3ck6 s ILE 25 N -0.72 3.42 0.02 0.60 1.01 -1.26 -5.05 121.20 119.22 3ck6 s ILE 25 Ca 0.28 1.07 0.07 0.00 0.00 0.00 0.00 60.65 62.07 3ck6 s ILE 25 Cb -0.18 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 3ck6 s ILE 25 CO 0.17 0.11 -0.19 -1.10 0.00 0.00 0.00 174.94 173.92 3ck6 s GLN 26 N 0.68 2.12 0.51 2.79 -0.21 -1.26 -5.05 119.66 119.24 3ck6 s GLN 26 Ca 0.61 -0.94 -0.23 0.00 0.02 0.00 0.00 55.36 54.81 3ck6 s GLN 26 Cb -0.35 -2.18 -0.06 0.00 1.00 0.00 0.00 33.01 31.42 3ck6 s GLN 26 CO 0.33 0.55 1.38 -1.25 -2.12 0.00 0.00 175.29 174.18 3ck6 s PRO 27 N -1.18 3.37 -0.23 2.91 0.04 -1.26 -2.74 135.00 135.91 3ck6 s PRO 27 Ca 0.13 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.46 3ck6 s PRO 27 Cb -0.10 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.02 3ck6 s PRO 27 CO 0.03 -1.03 0.00 0.09 0.04 0.00 0.00 177.00 176.13 3ck6 n ASN 28 N -0.69 -4.24 -4.90 6.66 4.13 0.20 -4.85 115.26 111.57 3ck6 n ASN 28 Ca 0.08 0.05 -0.28 0.00 1.68 0.00 0.00 54.58 56.11 3ck6 n ASN 28 Cb 0.44 -1.93 -0.04 0.00 -1.54 0.00 0.00 39.78 36.71 3ck6 n ASN 28 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3ck6 s HIS 29 N -1.75 3.42 -0.16 3.10 3.76 -1.11 0.46 115.29 123.00 3ck6 s HIS 29 Ca 0.00 0.14 0.01 0.00 -0.15 0.00 0.00 55.06 55.06 3ck6 s HIS 29 Cb 0.00 -1.67 0.01 0.00 1.11 0.00 0.00 32.58 32.03 3ck6 s HIS 29 CO 0.00 0.54 -0.18 -0.46 -0.85 0.00 0.00 174.74 173.79 3ck6 s TRP 30 N -1.63 2.76 -0.24 1.40 -0.00 0.17 -1.21 118.94 120.17 3ck6 s TRP 30 Ca 0.34 -1.35 -0.03 0.00 -0.00 0.00 0.00 56.10 55.06 3ck6 s TRP 30 Cb -0.12 -1.89 0.01 0.00 -0.00 0.00 0.00 33.47 31.48 3ck6 s TRP 30 CO 0.27 -0.65 -0.04 0.71 -0.00 0.00 0.00 176.95 177.24 3ck6 s TYR 31 N 1.03 3.03 -0.22 5.86 2.02 -0.07 -1.22 117.35 127.78 3ck6 s TYR 31 Ca -0.01 -1.31 -0.07 0.00 -0.37 0.00 0.00 57.07 55.31 3ck6 s TYR 31 Cb -0.14 -2.09 -0.03 0.00 -0.40 0.00 0.00 41.96 39.29 3ck6 s TYR 31 CO -0.05 -0.66 0.06 -1.58 -1.57 0.00 0.00 175.55 171.74 3ck6 s HIS 32 N 1.39 3.12 0.10 2.71 2.46 0.14 -0.36 115.29 124.85 3ck6 s HIS 32 Ca 0.02 -0.27 0.04 0.00 0.47 0.00 0.00 55.06 55.33 3ck6 s HIS 32 Cb -0.16 -2.18 -0.03 0.00 -0.13 0.00 0.00 32.58 30.08 3ck6 s HIS 32 CO -0.04 -0.19 -0.12 0.00 -2.47 0.00 0.00 174.74 171.92 3ck6 s GLU 34 N -2.48 3.67 0.32 0.00 0.41 0.11 -0.96 118.70 119.77 3ck6 s GLU 34 Ca 0.04 0.48 0.04 0.00 -0.41 0.00 0.00 54.97 55.12 3ck6 s GLU 34 Cb -0.05 -3.93 0.65 0.00 -1.78 0.00 0.00 34.13 29.02 3ck6 s GLU 34 CO 0.01 -1.42 1.89 -0.09 -0.49 0.00 0.00 175.26 175.16 3ck6 h ARG 35 N 9.27 0.86 -0.62 1.61 2.43 -1.39 -2.93 114.38 123.61 3ck6 h ARG 35 Ca -0.23 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3ck6 h ARG 35 Cb 1.06 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 3ck6 h ARG 35 CO 1.13 0.57 0.00 1.28 -1.51 0.00 0.00 179.97 181.44 3ck6 n LEU 36 N -4.53 3.68 -4.74 3.80 4.77 -1.26 -4.93 117.00 113.79 3ck6 n LEU 36 Ca 0.15 -1.85 -0.41 0.00 -0.03 0.00 0.00 56.01 53.88 3ck6 n LEU 36 Cb 0.31 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 3ck6 n LEU 36 CO 0.31 0.75 0.75 -2.28 -1.33 0.00 0.00 177.39 175.60 3ck6 s HIS 37 N -1.50 3.68 0.62 -1.77 2.46 -1.11 -4.95 115.29 112.72 3ck6 s HIS 37 Ca 0.42 1.68 0.33 0.00 0.47 0.00 0.00 55.06 57.96 3ck6 s HIS 37 Cb 0.25 -3.20 1.84 0.00 -0.13 0.00 0.00 32.58 31.34 3ck6 s HIS 37 CO 0.24 -0.33 2.15 -1.00 -2.47 0.00 0.00 174.74 173.33 3ck6 h PRO 38 N 4.92 0.00 -0.00 2.88 0.13 -1.91 -2.77 132.00 135.25 3ck6 h PRO 38 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3ck6 h PRO 38 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3ck6 h PRO 38 CO 0.71 0.00 -0.47 -0.25 -0.23 0.00 0.00 178.00 177.76 3ck6 n ASP 39 N -3.51 0.57 -0.17 1.44 8.00 -1.26 -4.38 116.55 117.24 3ck6 n ASP 39 Ca -0.00 -0.34 -0.11 0.00 0.71 0.00 0.00 54.79 55.05 3ck6 n ASP 39 Cb 0.25 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 3ck6 n ASP 39 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3ck6 h ILE 40 N 0.17 1.27 -0.57 0.53 2.10 -1.81 -2.82 117.51 116.37 3ck6 h ILE 40 Ca 0.00 -1.25 0.04 0.00 1.08 0.00 0.00 64.86 64.72 3ck6 h ILE 40 Cb 0.50 1.04 -0.04 0.00 -1.09 0.00 0.00 36.82 37.23 3ck6 h ILE 40 CO 0.00 0.44 0.33 -0.09 -1.08 0.00 0.00 178.15 177.74 3ck6 h ARG 41 N 0.82 0.61 -0.45 2.19 2.43 -1.79 -2.16 114.38 116.04 3ck6 h ARG 41 Ca 0.13 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3ck6 h ARG 41 Cb 0.67 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3ck6 h ARG 41 CO 0.05 0.41 0.09 0.78 -1.51 0.00 0.00 179.97 179.78 3ck6 h GLY 42 N 0.63 0.72 0.81 2.80 0.00 -1.79 -0.70 103.07 105.55 3ck6 h GLY 42 Ca 0.24 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 3ck6 h GLY 42 CO -0.13 0.38 -0.22 -0.25 0.00 0.00 0.00 176.54 176.33 3ck6 h TRP 43 N 0.65 0.56 0.11 5.60 7.01 -1.23 -1.06 115.95 127.59 3ck6 h TRP 43 Ca 0.15 -0.18 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 3ck6 h TRP 43 Cb 0.28 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.22 3ck6 h TRP 43 CO 0.01 0.85 -0.05 -0.07 -2.79 0.00 0.00 178.44 176.39 3ck6 h LEU 44 N 0.11 -0.13 -0.74 0.65 3.38 -1.19 -1.66 115.31 115.74 3ck6 h LEU 44 Ca 0.02 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3ck6 h LEU 44 Cb 0.77 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 3ck6 h LEU 44 CO 0.05 -0.05 0.24 -0.33 0.09 0.00 0.00 178.44 178.44 3ck6 h GLU 45 N -0.19 1.14 0.00 1.13 5.08 -1.16 -1.08 114.58 119.50 3ck6 h GLU 45 Ca -0.02 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 3ck6 h GLU 45 Cb 0.15 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3ck6 h GLU 45 CO 0.02 0.97 -0.21 -0.44 -1.00 0.00 0.00 179.01 178.35 3ck6 h ASP 46 N 1.09 0.00 -0.34 1.42 3.32 -1.11 0.19 116.42 120.99 3ck6 h ASP 46 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3ck6 h ASP 46 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3ck6 h ASP 46 CO -0.01 0.21 0.00 0.59 -1.72 0.00 0.00 179.24 178.31 3ck6 n ASN 47 N -4.11 2.78 -0.04 6.45 3.02 -0.63 -4.93 115.26 117.80 3ck6 n ASN 47 Ca -0.02 -2.25 -0.00 0.00 -0.03 0.00 0.00 54.58 52.28 3ck6 n ASN 47 Cb 0.28 -0.43 -0.00 0.00 -0.61 0.00 0.00 39.78 39.02 3ck6 n ASN 47 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3ck6 n HIS 48 N 0.47 0.00 -2.37 3.10 8.25 0.05 -4.99 115.22 119.74 3ck6 n HIS 48 Ca 0.14 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 3ck6 n HIS 48 Cb 0.54 -0.51 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 3ck6 n HIS 48 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ck6 s VAL 49 N -2.01 4.10 0.57 1.59 1.01 -0.48 -4.98 120.40 120.19 3ck6 s VAL 49 Ca 0.00 1.41 -0.20 0.00 0.00 0.00 0.00 61.98 63.19 3ck6 s VAL 49 Cb 0.00 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 3ck6 s VAL 49 CO 0.00 -0.04 1.15 -2.65 0.00 0.00 0.00 175.10 173.56 3ck6 n PRO 50 N 5.70 1.26 -0.25 2.72 -0.02 -1.26 -4.22 135.00 138.93 3ck6 n PRO 50 Ca 0.13 0.47 -0.02 0.00 -2.02 0.00 0.00 63.50 62.06 3ck6 n PRO 50 Cb 0.45 -2.35 0.09 0.00 -0.02 0.00 0.00 33.50 31.68 3ck6 n PRO 50 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3ck6 h ARG 51 N 0.95 0.78 -0.25 -0.52 2.43 -1.97 -1.20 114.38 114.61 3ck6 h ARG 51 Ca -0.49 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 58.57 3ck6 h ARG 51 Cb 1.34 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3ck6 h ARG 51 CO 0.54 0.52 -0.13 0.00 -1.51 0.00 0.00 179.97 179.39 3ck6 h ALA 52 N 1.33 1.32 -0.08 2.80 0.00 -1.99 0.24 119.26 122.89 3ck6 h ALA 52 Ca 0.30 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 3ck6 h ALA 52 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ck6 h ALA 52 CO -0.14 0.45 -0.80 0.00 0.00 0.00 0.00 179.25 178.76 3ck6 h THR 53 N 0.39 1.35 -0.61 0.00 1.03 -1.73 -2.28 112.91 111.06 3ck6 h THR 53 Ca 0.07 -2.16 0.04 0.00 -0.01 0.00 0.00 66.41 64.35 3ck6 h THR 53 Cb 0.46 2.15 -0.05 0.00 -1.07 0.00 0.00 68.15 69.64 3ck6 h THR 53 CO 0.03 0.66 0.35 0.58 -0.01 0.00 0.00 175.52 177.12 3ck6 h VAL 54 N 0.34 1.00 -0.50 0.00 2.07 -0.85 -1.13 116.25 117.19 3ck6 h VAL 54 Ca -0.05 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.33 3ck6 h VAL 54 Cb 1.41 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 3ck6 h VAL 54 CO 0.15 0.12 0.09 0.44 0.02 0.00 0.00 177.57 178.39 3ck6 h ASP 55 N 0.66 -0.03 -0.31 0.57 3.32 -0.35 -0.97 116.42 119.32 3ck6 h ASP 55 Ca 0.26 0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.30 3ck6 h ASP 55 Cb 0.12 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3ck6 h ASP 55 CO -0.15 0.01 -0.23 -0.74 -1.72 0.00 0.00 179.24 176.41 3ck6 h HIS 56 N 0.22 0.84 -0.85 4.55 2.76 -1.16 -1.17 115.15 120.33 3ck6 h HIS 56 Ca 0.25 -0.23 0.06 0.00 -2.20 0.00 0.00 60.37 58.25 3ck6 h HIS 56 Cb 0.35 -0.18 -0.06 0.00 1.55 0.00 0.00 27.41 29.06 3ck6 h HIS 56 CO -0.24 0.96 0.53 1.25 -1.30 0.00 0.00 177.93 179.13 3ck6 h LEU 57 N 0.47 0.82 -1.07 0.26 5.85 -0.97 -2.91 115.31 117.76 3ck6 h LEU 57 Ca 0.06 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ck6 h LEU 57 Cb 0.79 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3ck6 h LEU 57 CO 0.06 0.53 -0.25 0.18 -0.34 0.00 0.00 178.44 178.62 3ck6 n LEU 58 N -4.63 1.92 -4.59 2.25 4.77 -0.39 -4.91 117.00 111.42 3ck6 n LEU 58 Ca 0.12 -0.65 -0.34 0.00 -0.03 0.00 0.00 56.01 55.11 3ck6 n LEU 58 Cb 0.18 -0.03 0.12 0.00 -2.33 0.00 0.00 43.42 41.35 3ck6 n LEU 58 CO 0.31 0.34 0.45 0.00 -1.33 0.00 0.00 177.39 177.16 3ck6 n ALA 59 N 0.15 -0.88 -0.05 -1.18 0.00 -0.45 -4.93 120.51 113.18 3ck6 n ALA 59 Ca 0.12 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.07 3ck6 n ALA 59 Cb 0.45 -2.07 -0.07 0.00 0.00 0.00 0.00 19.45 17.76 3ck6 n ALA 59 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3ck6 h ASP 60 N -0.96 0.25 -2.85 0.00 1.82 -1.91 -3.44 116.42 109.34 3ck6 h ASP 60 Ca -0.45 -0.36 -0.65 0.00 -0.39 0.00 0.00 57.03 55.18 3ck6 h ASP 60 Cb 1.31 -0.07 -0.07 0.00 0.68 0.00 0.00 39.33 41.18 3ck6 h ASP 60 CO 0.43 0.55 -0.51 -1.61 -1.61 0.00 0.00 179.24 176.49 3ck6 s GLU 61 N -4.79 3.35 0.18 0.28 0.41 -1.26 -5.11 118.70 111.76 3ck6 s GLU 61 Ca -0.14 -0.32 -0.17 0.00 -0.41 0.00 0.00 54.97 53.93 3ck6 s GLU 61 Cb 0.05 -3.06 0.03 0.00 -1.78 0.00 0.00 34.13 29.37 3ck6 s GLU 61 CO 0.72 0.69 0.50 -1.54 -0.49 0.00 0.00 175.26 175.14 3ck6 s SER 62 N -1.68 -0.27 0.05 -0.19 1.04 -1.26 -5.09 113.70 106.30 3ck6 s SER 62 Ca 0.23 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.26 3ck6 s SER 62 Cb -0.12 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 3ck6 s SER 62 CO 0.14 -1.01 -0.09 0.00 0.98 0.00 0.00 173.24 173.26 3ck6 s ARG 63 N -3.86 0.59 0.16 4.02 1.70 -1.26 -5.12 118.95 115.18 3ck6 s ARG 63 Ca 0.08 -0.77 -0.34 0.00 -0.47 0.00 0.00 55.73 54.23 3ck6 s ARG 63 Cb -0.00 -0.43 -0.15 0.00 -0.57 0.00 0.00 34.95 33.80 3ck6 s ARG 63 CO -0.05 0.09 1.37 -2.30 -1.08 0.00 0.00 175.30 173.33 3ck6 n PRO 64 N 1.52 1.58 -3.56 3.89 -0.02 -1.26 -4.81 135.00 132.34 3ck6 n PRO 64 Ca -0.22 0.57 -0.08 0.00 -2.02 0.00 0.00 63.50 61.75 3ck6 n PRO 64 Cb 0.55 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 3ck6 n PRO 64 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ck6 s SER 65 N 0.44 -0.30 -0.10 2.55 1.04 -0.71 -4.62 113.70 112.00 3ck6 s SER 65 Ca 0.77 0.18 0.01 0.00 0.48 0.00 0.00 55.95 57.39 3ck6 s SER 65 Cb -0.80 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 65.58 3ck6 s SER 65 CO 0.46 -0.38 -0.14 0.12 0.98 0.00 0.00 173.24 174.28 3ck6 s PHE 66 N -1.94 2.77 -0.24 5.02 5.36 -1.26 -0.97 117.98 126.72 3ck6 s PHE 66 Ca 0.03 -0.51 0.01 0.00 -0.96 0.00 0.00 56.93 55.50 3ck6 s PHE 66 Cb -0.01 -1.78 0.06 0.00 -0.34 0.00 0.00 43.02 40.96 3ck6 s PHE 66 CO -0.03 -0.10 -0.06 -1.01 -1.46 0.00 0.00 175.22 172.56 3ck6 s HIS 67 N 0.03 2.54 0.24 10.12 3.76 -1.26 -4.98 115.29 125.74 3ck6 s HIS 67 Ca -0.05 -1.87 -0.30 0.00 -0.15 0.00 0.00 55.06 52.70 3ck6 s HIS 67 Cb -0.14 -1.66 -0.09 0.00 1.11 0.00 0.00 32.58 31.79 3ck6 s HIS 67 CO 0.04 -0.80 1.31 -1.25 -0.85 0.00 0.00 174.74 173.20 3ck6 s PRO 68 N 1.35 4.38 0.00 8.40 0.04 -1.26 -4.40 135.00 143.50 3ck6 s PRO 68 Ca -0.06 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.09 3ck6 s PRO 68 Cb -0.19 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.20 3ck6 s PRO 68 CO -0.06 -0.23 0.00 1.28 0.04 0.00 0.00 177.00 178.03 3ck6 n LEU 69 N 2.05 0.00 -5.00 -3.56 4.77 0.00 -4.95 117.00 110.31 3ck6 n LEU 69 Ca 0.04 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.81 3ck6 n LEU 69 Cb 0.42 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.58 3ck6 n LEU 69 CO 0.58 0.00 0.43 -1.81 -1.33 0.00 0.00 177.39 175.26 3ck6 s ASP 70 N 0.21 4.85 -1.18 -1.43 -0.00 -1.26 -4.67 116.67 113.19 3ck6 s ASP 70 Ca 0.00 -0.35 -0.25 0.00 -0.00 0.00 0.00 52.55 51.95 3ck6 s ASP 70 Cb 0.00 -0.26 0.01 0.00 -0.00 0.00 0.00 42.92 42.68 3ck6 s ASP 70 CO 0.00 -1.48 0.73 0.47 -0.00 0.00 0.00 175.17 174.89 3ck6 n ASP 71 N -2.51 -4.60 0.00 0.27 8.00 -1.26 -0.65 116.55 115.79 3ck6 n ASP 71 Ca 0.13 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.50 3ck6 n ASP 71 Cb 0.60 -2.72 0.00 0.00 -0.02 0.00 0.00 41.12 38.98 3ck6 n ASP 71 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3ck6 n ASP 72 N -2.50 0.00 -4.86 -2.24 8.00 -1.26 -4.83 116.55 108.86 3ck6 n ASP 72 Ca -0.11 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.08 3ck6 n ASP 72 Cb 0.59 -2.06 -0.03 0.00 -0.02 0.00 0.00 41.12 39.60 3ck6 n ASP 72 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3ck6 s ASN 73 N -2.16 6.54 0.00 -2.24 0.01 0.17 -4.90 114.94 112.37 3ck6 s ASN 73 Ca 0.00 1.38 0.00 0.00 -0.71 0.00 0.00 52.86 53.53 3ck6 s ASN 73 Cb 0.00 -2.43 0.00 0.00 0.41 0.00 0.00 41.25 39.23 3ck6 s ASN 73 CO 0.00 -0.54 0.00 2.22 -1.51 0.00 0.00 177.10 177.27 3ck6 n PHE 74 N -1.59 0.00 -3.59 2.20 1.16 -0.51 -0.82 117.46 114.32 3ck6 n PHE 74 Ca 0.05 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.65 3ck6 n PHE 74 Cb 0.54 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.35 3ck6 n PHE 74 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3ck6 s LEU 76 N 0.00 -0.06 -0.09 5.98 2.96 0.32 -0.97 118.68 126.82 3ck6 s LEU 76 Ca 0.00 0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 3ck6 s LEU 76 Cb 0.00 1.09 -0.01 0.00 0.50 0.00 0.00 46.19 47.77 3ck6 s LEU 76 CO 0.00 -0.02 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.18 3ck6 s ILE 77 N 1.18 2.38 0.04 6.68 1.01 -0.14 0.02 121.20 132.37 3ck6 s ILE 77 Ca -0.07 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.65 3ck6 s ILE 77 Cb -0.02 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 3ck6 s ILE 77 CO -0.11 0.56 -0.02 -0.76 0.00 0.00 0.00 174.94 174.61 3ck6 s LEU 78 N 0.16 2.39 0.17 2.97 1.43 -0.48 -1.73 118.68 123.58 3ck6 s LEU 78 Ca -0.11 -0.86 0.09 0.00 -1.03 0.00 0.00 54.13 52.22 3ck6 s LEU 78 Cb -0.16 0.21 -0.04 0.00 0.03 0.00 0.00 46.19 46.23 3ck6 s LEU 78 CO 0.06 -0.53 -0.14 -0.13 0.23 0.00 0.00 176.35 175.84 3ck6 s ARG 79 N -3.31 1.89 0.14 1.70 1.81 -1.26 -0.33 118.95 119.60 3ck6 s ARG 79 Ca 0.01 -1.29 0.01 0.00 -1.72 0.00 0.00 55.73 52.73 3ck6 s ARG 79 Cb 0.04 -2.09 -0.04 0.00 -0.45 0.00 0.00 34.95 32.40 3ck6 s ARG 79 CO -0.08 0.44 0.02 0.20 -0.68 0.00 0.00 175.30 175.20 3ck6 s GLY 80 N -2.63 1.06 0.34 -3.53 0.00 -0.09 -4.92 107.32 97.55 3ck6 s GLY 80 Ca 0.22 -1.51 -0.29 0.00 0.00 0.00 0.00 44.72 43.15 3ck6 s GLY 80 CO 0.13 -1.45 1.39 -0.42 0.00 0.00 0.00 173.10 172.75 3ck6 s ILE 81 N -3.81 2.44 0.55 0.90 -1.09 -1.26 -1.02 121.20 117.90 3ck6 s ILE 81 Ca 0.22 0.43 -0.05 0.00 -2.23 0.00 0.00 60.65 59.03 3ck6 s ILE 81 Cb 0.07 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 3ck6 s ILE 81 CO 0.02 0.10 0.84 0.21 -1.23 0.00 0.00 174.94 174.88 3ck6 s ASN 82 N -0.28 5.71 0.08 3.58 3.84 -0.71 -4.65 114.94 122.51 3ck6 s ASN 82 Ca 0.51 0.64 0.00 0.00 0.21 0.00 0.00 52.86 54.23 3ck6 s ASN 82 Cb -0.43 -1.72 0.00 0.00 -0.55 0.00 0.00 41.25 38.55 3ck6 s ASN 82 CO 0.56 -0.94 0.00 0.59 -2.79 0.00 0.00 177.10 174.52 3ck6 n ASN 84 N -2.45 -1.25 -4.75 -4.21 3.02 -1.26 -3.86 115.26 100.51 3ck6 n ASN 84 Ca 0.03 0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 54.44 3ck6 n ASN 84 Cb 0.57 0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.85 3ck6 n ASN 84 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ck6 s GLU 85 N -4.26 4.11 -1.49 3.52 0.41 -1.26 -2.10 118.70 117.64 3ck6 s GLU 85 Ca 0.00 2.60 0.00 0.00 -0.41 0.00 0.00 54.97 57.16 3ck6 s GLU 85 Cb 0.00 -3.02 0.00 0.00 -1.78 0.00 0.00 34.13 29.33 3ck6 s GLU 85 CO 0.00 -0.66 0.00 0.09 -0.49 0.00 0.00 175.26 174.20 3ck6 n ASN 86 N 2.33 -5.17 -4.97 -0.19 3.02 -1.26 -5.01 115.26 104.01 3ck6 n ASN 86 Ca 0.09 0.35 -0.21 0.00 -0.03 0.00 0.00 54.58 54.77 3ck6 n ASN 86 Cb 0.37 -3.91 0.01 0.00 -0.61 0.00 0.00 39.78 35.64 3ck6 n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ck6 s ALA 87 N -2.36 3.97 -0.18 5.41 0.00 -0.89 -5.08 121.76 122.62 3ck6 s ALA 87 Ca 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 3ck6 s ALA 87 Cb 0.00 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 3ck6 s ALA 87 CO 0.00 -0.24 0.39 0.45 0.00 0.00 0.00 175.76 176.36 3ck6 s SER 88 N -4.20 6.48 0.48 0.00 0.15 -1.26 -4.93 113.70 110.41 3ck6 s SER 88 Ca 0.47 0.56 0.21 0.00 0.70 0.00 0.00 55.95 57.89 3ck6 s SER 88 Cb -0.10 -2.23 1.22 0.00 -1.71 0.00 0.00 66.02 63.20 3ck6 s SER 88 CO 0.35 -0.03 2.02 -0.65 1.20 0.00 0.00 173.24 176.13 3ck6 h PRO 89 N 7.12 0.00 -0.00 5.44 0.11 -1.95 -0.12 132.00 142.60 3ck6 h PRO 89 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3ck6 h PRO 89 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ck6 h PRO 89 CO 0.73 0.16 -0.16 -0.85 -0.21 0.00 0.00 178.00 177.68 3ck6 n GLU 90 N -3.94 0.54 -2.33 1.05 0.00 -1.26 -1.74 120.64 112.96 3ck6 n GLU 90 Ca -0.02 -0.21 -0.43 0.00 0.00 0.00 0.00 57.16 56.51 3ck6 n GLU 90 Cb 0.25 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.17 3ck6 n GLU 90 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3ck6 s ASP 91 N -2.60 6.89 0.18 -1.84 2.15 -0.06 -4.78 116.67 116.61 3ck6 s ASP 91 Ca 0.25 1.82 0.07 0.00 0.43 0.00 0.00 52.55 55.12 3ck6 s ASP 91 Cb 0.20 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.23 3ck6 s ASP 91 CO 0.51 -0.79 -0.15 -1.48 -0.17 0.00 0.00 175.17 173.09 3ck6 s LEU 93 N 3.54 2.50 -0.12 -1.34 0.05 -0.19 -4.47 118.68 118.65 3ck6 s LEU 93 Ca 0.59 -0.95 0.02 0.00 0.05 0.00 0.00 54.13 53.84 3ck6 s LEU 93 Cb -0.25 -0.66 0.01 0.00 -2.05 0.00 0.00 46.19 43.25 3ck6 s LEU 93 CO 0.18 -0.15 -0.16 -0.55 -0.55 0.00 0.00 176.35 175.12 3ck6 s SER 94 N -3.02 2.58 -0.20 1.48 0.15 -1.26 -0.92 113.70 112.52 3ck6 s SER 94 Ca 0.18 -0.46 -0.06 0.00 0.70 0.00 0.00 55.95 56.31 3ck6 s SER 94 Cb -0.02 -1.16 -0.03 0.00 -1.71 0.00 0.00 66.02 63.10 3ck6 s SER 94 CO 0.06 0.02 0.02 -0.63 1.20 0.00 0.00 173.24 173.90 3ck6 s ILE 95 N 1.03 4.20 -0.17 6.45 -1.09 0.55 -4.39 121.20 127.78 3ck6 s ILE 95 Ca -0.05 -0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.14 3ck6 s ILE 95 Cb -0.15 -2.90 0.01 0.00 -1.58 0.00 0.00 42.46 37.84 3ck6 s ILE 95 CO -0.03 0.43 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.83 3ck6 s ARG 96 N 0.85 3.15 -0.04 2.79 0.52 -0.92 -1.39 118.95 123.90 3ck6 s ARG 96 Ca 0.02 -0.77 0.05 0.00 -0.52 0.00 0.00 55.73 54.51 3ck6 s ARG 96 Cb -0.14 -2.65 -0.01 0.00 0.52 0.00 0.00 34.95 32.67 3ck6 s ARG 96 CO 0.02 -0.10 -0.21 0.42 0.02 0.00 0.00 175.30 175.45 3ck6 s ILE 97 N 1.09 1.70 -0.12 1.52 1.01 0.10 -1.03 121.20 125.47 3ck6 s ILE 97 Ca -0.00 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.77 3ck6 s ILE 97 Cb -0.14 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 3ck6 s ILE 97 CO -0.05 0.48 -0.12 -0.76 0.00 0.00 0.00 174.94 174.48 3ck6 s LEU 98 N -0.14 2.77 -0.41 2.97 1.43 0.52 -0.52 118.68 125.29 3ck6 s LEU 98 Ca -0.01 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 3ck6 s LEU 98 Cb -0.12 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.52 3ck6 s LEU 98 CO 0.02 0.20 0.29 -0.47 0.23 0.00 0.00 176.35 176.62 3ck6 s TYR 99 N 0.17 3.24 -0.04 0.29 5.04 -0.14 -0.44 117.35 125.48 3ck6 s TYR 99 Ca -0.07 -0.71 -0.01 0.00 -2.44 0.00 0.00 57.07 53.84 3ck6 s TYR 99 Cb -0.15 -2.63 0.03 0.00 0.35 0.00 0.00 41.96 39.56 3ck6 s TYR 99 CO 0.05 -0.63 0.05 0.12 -1.34 0.00 0.00 175.55 173.80 3ck6 s PHE 100 N 1.65 0.05 -1.71 4.97 5.36 0.42 -1.43 117.98 127.29 3ck6 s PHE 100 Ca 0.04 0.23 -0.19 0.00 -0.96 0.00 0.00 56.93 56.05 3ck6 s PHE 100 Cb -0.20 -0.41 0.16 0.00 -0.34 0.00 0.00 43.02 42.24 3ck6 s PHE 100 CO 0.09 -0.16 0.79 1.04 -1.46 0.00 0.00 175.22 175.52 3ck6 n GLN 101 N 4.99 -3.12 -1.00 10.12 1.13 -1.26 -1.52 117.38 126.72 3ck6 n GLN 101 Ca -0.10 0.37 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 3ck6 n GLN 101 Cb 0.50 -5.11 0.00 0.00 0.11 0.00 0.00 30.24 25.74 3ck6 n GLN 101 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ck6 n GLY 102 N -1.37 0.61 3.71 1.08 0.00 -1.26 -4.01 105.19 103.94 3ck6 n GLY 102 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3ck6 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ck6 s ALA 103 N -2.46 3.36 -0.23 4.61 0.00 -0.57 0.60 121.76 127.07 3ck6 s ALA 103 Ca 0.00 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 50.72 3ck6 s ALA 103 Cb 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 3ck6 s ALA 103 CO 0.00 0.63 0.05 -0.51 0.00 0.00 0.00 175.76 175.93 3ck6 s LEU 104 N -2.59 3.43 -0.23 0.00 1.43 -0.35 -0.44 118.68 119.94 3ck6 s LEU 104 Ca 0.27 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.20 3ck6 s LEU 104 Cb -0.11 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.24 3ck6 s LEU 104 CO 0.20 0.02 -0.11 -0.63 0.23 0.00 0.00 176.35 176.06 3ck6 s ILE 105 N 1.28 2.52 0.05 -0.59 1.01 0.42 -0.89 121.20 124.99 3ck6 s ILE 105 Ca 0.04 -1.08 0.04 0.00 0.00 0.00 0.00 60.65 59.66 3ck6 s ILE 105 Cb -0.15 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 3ck6 s ILE 105 CO 0.03 0.28 -0.05 -0.94 0.00 0.00 0.00 174.94 174.26 3ck6 s SER 106 N 1.28 4.75 -0.03 3.58 1.04 0.51 -0.35 113.70 124.48 3ck6 s SER 106 Ca 0.00 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.27 3ck6 s SER 106 Cb -0.16 -1.09 -0.00 0.00 0.10 0.00 0.00 66.02 64.87 3ck6 s SER 106 CO -0.07 0.22 -0.13 0.42 0.98 0.00 0.00 173.24 174.66 3ck6 s THR 107 N -1.16 1.10 0.15 2.02 -4.23 -0.20 -0.55 115.64 112.78 3ck6 s THR 107 Ca 0.21 -0.53 0.06 0.00 -1.18 0.00 0.00 61.69 60.25 3ck6 s THR 107 Cb -0.11 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.73 3ck6 s THR 107 CO 0.13 0.33 -0.14 0.00 -0.54 0.00 0.00 174.62 174.40 3ck6 s ARG 108 N 0.11 1.14 0.06 3.99 1.04 -0.14 -2.17 118.95 122.97 3ck6 s ARG 108 Ca -0.03 -1.39 0.00 0.00 -1.04 0.00 0.00 55.73 53.27 3ck6 s ARG 108 Cb -0.10 -0.94 0.00 0.00 -2.04 0.00 0.00 34.95 31.87 3ck6 s ARG 108 CO 0.01 0.17 0.00 1.17 -0.04 0.00 0.00 175.30 176.61 3ck6 n LYS 109 N 0.11 0.00 -2.56 3.89 4.81 -1.26 -1.01 118.16 122.15 3ck6 n LYS 109 Ca -0.12 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.89 3ck6 n LYS 109 Cb 0.59 -0.16 -0.02 0.00 0.02 0.00 0.00 35.03 35.45 3ck6 n LYS 109 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3ck6 s ILE 110 N -1.41 4.51 0.48 3.15 1.01 -1.26 -4.98 121.20 122.70 3ck6 s ILE 110 Ca 0.00 1.82 -0.24 0.00 0.00 0.00 0.00 60.65 62.23 3ck6 s ILE 110 Cb 0.00 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.23 3ck6 s ILE 110 CO 0.00 -0.12 1.39 -2.84 0.00 0.00 0.00 174.94 173.37 3ck6 s PRO 111 N 3.02 3.51 -0.23 2.79 0.02 -1.26 -4.80 135.00 138.06 3ck6 s PRO 111 Ca 0.50 2.32 -0.10 0.00 0.02 0.00 0.00 61.00 63.73 3ck6 s PRO 111 Cb -0.19 -2.51 -0.05 0.00 0.02 0.00 0.00 34.50 31.77 3ck6 s PRO 111 CO 0.12 -0.92 0.14 0.45 -0.33 0.00 0.00 177.00 176.46 3ck6 s SER 112 N -0.71 6.06 0.29 2.53 0.15 -1.26 -4.78 113.70 115.98 3ck6 s SER 112 Ca 0.65 0.12 -0.01 0.00 0.70 0.00 0.00 55.95 57.41 3ck6 s SER 112 Cb -0.42 -2.08 0.44 0.00 -1.71 0.00 0.00 66.02 62.25 3ck6 s SER 112 CO 0.52 0.10 1.89 -0.09 1.20 0.00 0.00 173.24 176.86 3ck6 h ARG 113 N 7.28 0.92 -0.48 5.44 9.65 -1.94 -3.04 114.38 132.20 3ck6 h ARG 113 Ca -0.39 -0.13 -0.02 0.00 -1.10 0.00 0.00 59.98 58.34 3ck6 h ARG 113 Cb 1.17 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.55 3ck6 h ARG 113 CO 0.68 0.72 0.20 0.00 2.80 0.00 0.00 179.97 184.37 3ck6 h ALA 114 N 1.41 0.62 0.00 2.80 0.00 -1.95 -1.22 119.26 120.92 3ck6 h ALA 114 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ck6 h ALA 114 Cb 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ck6 h ALA 114 CO -0.03 0.22 0.00 -0.89 0.00 0.00 0.00 179.25 178.55 3ck6 n ILE 115 N -4.59 0.54 0.00 0.00 5.41 -1.15 -1.73 119.36 117.84 3ck6 n ILE 115 Ca 0.01 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.69 3ck6 n ILE 115 Cb 0.14 -0.87 0.00 0.00 -0.71 0.00 0.00 39.64 38.20 3ck6 n ILE 115 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3ck6 n GLU 117 N 1.15 0.00 -0.12 0.38 1.02 -0.46 -1.09 120.64 121.52 3ck6 n GLU 117 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 3ck6 n GLU 117 Cb 0.20 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.61 3ck6 n GLU 117 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3ck6 h ILE 118 N 0.00 1.16 -0.86 -3.67 2.04 -1.61 -1.17 117.51 113.41 3ck6 h ILE 118 Ca 0.00 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 3ck6 h ILE 118 Cb 0.00 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3ck6 h ILE 118 CO 0.00 0.17 0.44 0.03 0.00 0.00 0.00 178.15 178.79 3ck6 h ARG 119 N 0.44 1.23 -0.67 2.37 3.08 -1.40 -1.54 114.38 117.88 3ck6 h ARG 119 Ca 0.12 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3ck6 h ARG 119 Cb 0.11 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3ck6 h ARG 119 CO -0.02 0.92 0.17 1.96 -1.07 0.00 0.00 179.97 181.93 3ck6 h GLN 120 N 1.22 1.08 -0.45 0.04 4.20 -1.79 -1.38 115.11 118.03 3ck6 h GLN 120 Ca 0.30 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 3ck6 h GLN 120 Cb 0.08 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3ck6 h GLN 120 CO -0.04 0.96 0.12 0.00 -0.67 0.00 0.00 178.83 179.20 3ck6 h ALA 121 N 1.07 0.59 -0.85 3.87 0.00 -0.81 -2.62 119.26 120.52 3ck6 h ALA 121 Ca 0.21 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3ck6 h ALA 121 Cb 0.37 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3ck6 h ALA 121 CO 0.00 0.27 0.54 -0.07 0.00 0.00 0.00 179.25 179.99 3ck6 h LEU 122 N 0.60 0.87 -2.52 0.00 3.38 -1.18 -0.13 115.31 116.32 3ck6 h LEU 122 Ca 0.14 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3ck6 h LEU 122 Cb 0.31 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ck6 h LEU 122 CO -0.00 0.58 -0.02 0.00 0.09 0.00 0.00 178.44 179.09 3ck6 h ALA 123 N 1.38 1.25 -0.48 1.53 0.00 -1.02 -2.52 119.26 119.39 3ck6 h ALA 123 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3ck6 h ALA 123 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ck6 h ALA 123 CO -0.14 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.52 3ck6 n GLU 124 N -3.46 2.97 -2.24 0.00 -0.58 -0.60 -4.98 120.64 111.75 3ck6 n GLU 124 Ca -0.03 -2.40 -0.16 0.00 -0.42 0.00 0.00 57.16 54.15 3ck6 n GLU 124 Cb 0.12 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.49 3ck6 n GLU 124 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3ck6 n HIS 125 N 0.78 -0.70 -2.39 -0.32 8.25 -0.85 -4.91 115.22 115.07 3ck6 n HIS 125 Ca 0.18 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.63 3ck6 n HIS 125 Cb 0.59 -3.25 0.06 0.00 1.12 0.00 0.00 29.99 28.51 3ck6 n HIS 125 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3ck6 n LYS 126 N -2.54 1.32 -1.16 -0.41 0.00 -0.16 -5.01 118.16 110.21 3ck6 n LYS 126 Ca -0.19 -3.00 -0.13 0.00 -0.00 0.00 0.00 58.31 54.99 3ck6 n LYS 126 Cb 0.64 -1.10 0.08 0.00 -0.00 0.00 0.00 35.03 34.64 3ck6 n LYS 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ck6 n GLY 127 N -0.29 -0.49 3.71 2.58 0.00 -1.16 -4.71 105.19 104.82 3ck6 n GLY 127 Ca 0.14 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 3ck6 n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ck6 s PRO 128 N -4.09 1.85 0.00 1.61 0.04 -1.26 -4.93 135.00 128.22 3ck6 s PRO 128 Ca 0.34 1.82 0.22 0.00 0.04 0.00 0.00 61.00 63.42 3ck6 s PRO 128 Cb -0.01 -1.79 0.36 0.00 0.04 0.00 0.00 34.50 33.09 3ck6 s PRO 128 CO 0.23 -2.07 1.33 1.63 0.04 0.00 0.00 177.00 178.17 3ck6 n LYS 129 N -2.97 2.36 -3.54 4.56 4.76 -1.26 -4.71 118.16 117.36 3ck6 n LYS 129 Ca 0.14 -2.15 -0.09 0.00 -2.87 0.00 0.00 58.31 53.34 3ck6 n LYS 129 Cb 0.50 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 32.20 3ck6 n LYS 129 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ck6 s SER 130 N -1.49 -0.40 0.28 4.39 1.04 -1.26 -4.34 113.70 111.91 3ck6 s SER 130 Ca 0.34 -0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.63 3ck6 s SER 130 Cb 0.21 0.50 0.36 0.00 0.10 0.00 0.00 66.02 67.19 3ck6 s SER 130 CO 0.29 -0.84 1.95 -0.07 0.98 0.00 0.00 173.24 175.56 3ck6 h LEU 131 N 2.00 1.04 -0.65 2.42 3.38 -1.89 -0.28 115.31 121.32 3ck6 h LEU 131 Ca -0.26 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.75 3ck6 h LEU 131 Cb 1.26 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 3ck6 h LEU 131 CO 0.32 0.75 0.34 0.00 0.09 0.00 0.00 178.44 179.94 3ck6 h ALA 132 N 1.43 0.88 -0.16 1.53 0.00 -1.95 -1.33 119.26 119.67 3ck6 h ALA 132 Ca 0.33 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.13 3ck6 h ALA 132 Cb -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3ck6 h ALA 132 CO -0.07 -0.02 -0.49 1.03 0.00 0.00 0.00 179.25 179.70 3ck6 h SER 133 N 0.61 0.70 -0.38 0.00 0.87 -1.82 -2.83 113.55 110.70 3ck6 h SER 133 Ca 0.31 -0.60 0.07 0.00 -1.23 0.00 0.00 61.79 60.34 3ck6 h SER 133 Cb 0.25 -0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 61.94 3ck6 h SER 133 CO -0.22 1.17 -0.03 0.25 -0.53 0.00 0.00 176.83 177.48 3ck6 h LEU 134 N 0.26 -0.21 -0.39 2.23 5.85 -0.84 0.10 115.31 122.31 3ck6 h LEU 134 Ca -0.02 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3ck6 h LEU 134 Cb 1.11 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3ck6 h LEU 134 CO 0.10 -0.07 0.20 0.25 -0.34 0.00 0.00 178.44 178.58 3ck6 h LEU 135 N 0.07 0.50 -0.96 2.25 5.85 -1.25 0.07 115.31 121.83 3ck6 h LEU 135 Ca 0.19 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.90 3ck6 h LEU 135 Cb 0.27 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.10 3ck6 h LEU 135 CO -0.34 0.47 0.60 -1.13 -0.34 0.00 0.00 178.44 177.70 3ck6 h ASN 136 N 0.49 0.90 0.17 1.25 -0.00 -1.22 -1.35 115.58 115.82 3ck6 h ASN 136 Ca 0.13 0.04 -0.15 0.00 -0.00 0.00 0.00 56.30 56.32 3ck6 h ASN 136 Cb 0.09 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 38.26 3ck6 h ASN 136 CO -0.02 0.51 -0.56 1.56 -0.00 0.00 0.00 177.43 178.92 3ck6 h GLN 137 N 0.99 0.41 -0.12 6.67 4.20 -0.17 -1.49 115.11 125.60 3ck6 h GLN 137 Ca 0.46 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 3ck6 h GLN 137 Cb 0.39 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3ck6 h GLN 137 CO -0.24 0.86 0.05 0.82 -0.67 0.00 0.00 178.83 179.65 3ck6 h ILE 138 N 0.31 1.13 0.06 2.54 2.04 -0.32 0.26 117.51 123.54 3ck6 h ILE 138 Ca 0.00 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.48 3ck6 h ILE 138 Cb 1.08 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3ck6 h ILE 138 CO 0.10 0.12 -0.11 0.40 0.00 0.00 0.00 178.15 178.66 3ck6 h ILE 139 N 0.05 0.74 -0.16 -0.67 2.04 -1.19 -0.80 117.51 117.52 3ck6 h ILE 139 Ca 0.04 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.78 3ck6 h ILE 139 Cb 0.14 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3ck6 h ILE 139 CO -0.00 0.00 -0.44 -0.33 0.00 0.00 0.00 178.15 177.38 3ck6 h GLU 140 N -0.22 0.38 -0.27 2.37 4.39 -1.29 -0.86 114.58 119.08 3ck6 h GLU 140 Ca 0.02 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 3ck6 h GLU 140 Cb 0.24 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3ck6 h GLU 140 CO -0.07 0.75 0.14 0.78 -1.16 0.00 0.00 179.01 179.45 3ck6 h GLY 141 N 1.18 0.40 0.89 -3.84 0.00 -0.26 0.58 103.07 102.02 3ck6 h GLY 141 Ca 0.02 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.18 3ck6 h GLY 141 CO 0.07 0.18 -0.00 1.41 0.00 0.00 0.00 176.54 178.20 3ck6 h LEU 142 N 0.31 -0.04 -0.70 3.11 3.38 -0.96 -2.17 115.31 118.24 3ck6 h LEU 142 Ca 0.09 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.22 3ck6 h LEU 142 Cb 0.08 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 40.73 3ck6 h LEU 142 CO -0.01 -0.01 -0.16 0.78 0.09 0.00 0.00 178.44 179.12 3ck6 h ASN 143 N 0.02 -0.63 -0.59 -0.43 2.35 -1.01 -1.92 115.58 113.36 3ck6 h ASN 143 Ca 0.03 0.21 0.02 0.00 -0.55 0.00 0.00 56.30 56.01 3ck6 h ASN 143 Cb 0.04 0.43 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 3ck6 h ASN 143 CO -0.06 -0.23 0.38 1.23 -1.65 0.00 0.00 177.43 177.10 3ck6 h GLY 144 N 0.01 0.84 1.72 2.83 0.00 -0.59 0.02 103.07 107.90 3ck6 h GLY 144 Ca 0.34 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 3ck6 h GLY 144 CO -0.71 0.27 -0.39 0.50 0.00 0.00 0.00 176.54 176.20 3ck6 h LYS 145 N 0.76 0.32 -0.32 4.80 1.79 -1.06 -1.25 116.57 121.60 3ck6 h LYS 145 Ca 0.23 -0.15 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 3ck6 h LYS 145 Cb -0.03 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 3ck6 h LYS 145 CO -0.08 0.67 0.18 0.82 -1.08 0.00 0.00 179.45 179.96 3ck6 h ILE 146 N 0.27 1.12 -0.64 1.86 2.04 -0.81 -1.87 117.51 119.47 3ck6 h ILE 146 Ca 0.03 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.64 3ck6 h ILE 146 Cb 0.82 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 3ck6 h ILE 146 CO 0.06 0.12 0.33 0.44 0.00 0.00 0.00 178.15 179.11 3ck6 h ASP 147 N 0.40 0.47 -0.45 1.72 3.32 -0.65 -0.67 116.42 120.55 3ck6 h ASP 147 Ca 0.11 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.22 3ck6 h ASP 147 Cb 0.04 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3ck6 h ASP 147 CO -0.02 0.30 0.28 -0.07 -1.72 0.00 0.00 179.24 178.01 3ck6 h LEU 148 N 0.61 0.47 -0.37 1.55 3.38 -0.95 -1.50 115.31 118.49 3ck6 h LEU 148 Ca 0.30 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 3ck6 h LEU 148 Cb 0.23 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3ck6 h LEU 148 CO -0.21 0.34 0.05 0.22 0.09 0.00 0.00 178.44 178.93 3ck6 h TYR 149 N 0.57 0.67 -0.66 1.13 3.20 -0.90 -2.51 116.97 118.47 3ck6 h TYR 149 Ca 0.17 -0.10 0.14 0.00 3.14 0.00 0.00 58.73 62.08 3ck6 h TYR 149 Cb -0.02 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.02 3ck6 h TYR 149 CO -0.06 0.68 0.45 -0.07 -1.64 0.00 0.00 178.16 177.52 3ck6 h LEU 150 N 0.47 0.30 -1.06 2.82 3.38 -0.81 0.25 115.31 120.66 3ck6 h LEU 150 Ca 0.11 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3ck6 h LEU 150 Cb 0.38 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3ck6 h LEU 150 CO 0.01 0.16 -0.15 0.44 0.09 0.00 0.00 178.44 178.99 3ck6 h ASP 151 N 0.32 0.49 0.06 -0.43 3.32 -0.82 -0.25 116.42 119.11 3ck6 h ASP 151 Ca 0.32 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 3ck6 h ASP 151 Cb 0.80 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3ck6 h ASP 151 CO -0.08 0.66 -0.38 0.71 -1.72 0.00 0.00 179.24 178.43 3ck6 h THR 152 N 0.46 1.30 -0.22 0.35 1.35 -0.86 -1.82 112.91 113.47 3ck6 h THR 152 Ca 0.08 -1.50 -0.05 0.00 -0.55 0.00 0.00 66.41 64.40 3ck6 h THR 152 Cb 0.53 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 3ck6 h THR 152 CO 0.03 0.46 -0.04 0.40 -0.25 0.00 0.00 175.52 176.12 3ck6 h ILE 153 N 0.36 1.28 -0.82 6.82 2.04 -1.00 -2.43 117.51 123.75 3ck6 h ILE 153 Ca 0.04 -1.01 0.09 0.00 1.00 0.00 0.00 64.86 64.98 3ck6 h ILE 153 Cb 0.83 1.50 -0.07 0.00 -0.74 0.00 0.00 36.82 38.33 3ck6 h ILE 153 CO 0.07 0.31 0.47 -0.08 0.00 0.00 0.00 178.15 178.92 3ck6 h GLU 154 N 0.15 0.77 -0.27 2.37 4.81 -0.92 0.06 114.58 121.56 3ck6 h GLU 154 Ca 0.06 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3ck6 h GLU 154 Cb 0.49 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3ck6 h GLU 154 CO 0.02 0.51 0.08 0.93 -0.73 0.00 0.00 179.01 179.82 3ck6 h GLU 155 N 0.79 0.19 -0.62 1.92 5.08 -1.23 0.31 114.58 121.02 3ck6 h GLU 155 Ca 0.39 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.81 3ck6 h GLU 155 Cb 0.35 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 3ck6 h GLU 155 CO -0.24 0.13 0.30 1.15 -1.00 0.00 0.00 179.01 179.35 3ck6 h THR 156 N 0.20 0.89 -0.55 1.13 2.02 -0.78 -2.54 112.91 113.28 3ck6 h THR 156 Ca 0.12 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 3ck6 h THR 156 Cb 0.10 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 3ck6 h THR 156 CO -0.14 0.10 0.09 -0.07 0.37 0.00 0.00 175.52 175.88 3ck6 h LEU 157 N 0.55 0.87 -0.77 2.58 4.07 -0.61 -2.64 115.31 119.35 3ck6 h LEU 157 Ca 0.29 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3ck6 h LEU 157 Cb 0.26 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.76 3ck6 h LEU 157 CO -0.22 0.91 0.00 0.59 -1.08 0.00 0.00 178.44 178.63 3ck6 n ASN 158 N -4.36 0.54 -0.68 -0.43 3.02 0.06 -2.03 115.26 111.39 3ck6 n ASN 158 Ca 0.02 0.66 0.12 0.00 -0.03 0.00 0.00 54.58 55.35 3ck6 n ASN 158 Cb 0.26 -0.77 0.11 0.00 -0.61 0.00 0.00 39.78 38.77 3ck6 n ASN 158 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ck6 n GLU 159 N -2.13 1.70 -1.66 3.52 1.02 -0.99 -4.93 120.64 117.17 3ck6 n GLU 159 Ca 0.01 -1.36 -0.52 0.00 -0.02 0.00 0.00 57.16 55.27 3ck6 n GLU 159 Cb 0.16 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 3ck6 n GLU 159 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3ck6 n PHE 160 N 0.54 1.97 -3.60 -0.32 3.72 -0.86 -4.82 117.46 114.09 3ck6 n PHE 160 Ca 0.12 0.42 -0.20 0.00 -0.05 0.00 0.00 57.45 57.74 3ck6 n PHE 160 Cb 0.51 -2.47 -0.16 0.00 -0.94 0.00 0.00 39.48 36.42 3ck6 n PHE 160 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ck6 s ASP 161 N 2.28 1.48 0.55 4.37 3.68 -1.26 -5.03 116.67 122.75 3ck6 s ASP 161 Ca 0.90 -0.16 0.25 0.00 2.13 0.00 0.00 52.55 55.67 3ck6 s ASP 161 Cb -0.90 0.10 1.58 0.00 -1.45 0.00 0.00 42.92 42.25 3ck6 s ASP 161 CO 0.53 -0.30 2.19 1.62 0.13 0.00 0.00 175.17 179.33 3ck6 h VAL 162 N 6.38 0.69 -0.42 1.11 3.04 -1.97 -0.76 116.25 124.31 3ck6 h VAL 162 Ca -0.15 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3ck6 h VAL 162 Cb 1.14 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 3ck6 h VAL 162 CO 0.23 0.03 0.00 0.59 -1.01 0.00 0.00 177.57 177.41 3ck6 n ASN 163 N -4.02 4.05 -3.37 3.17 3.02 -1.26 -4.68 115.26 112.17 3ck6 n ASN 163 Ca -0.03 -2.54 -0.16 0.00 -0.03 0.00 0.00 54.58 51.82 3ck6 n ASN 163 Cb 0.12 -0.58 -0.08 0.00 -0.61 0.00 0.00 39.78 38.62 3ck6 n ASN 163 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ck6 s ASP 164 N -0.62 1.26 0.62 6.41 2.15 -0.29 -5.02 116.67 121.18 3ck6 s ASP 164 Ca 0.38 -1.19 0.37 0.00 0.43 0.00 0.00 52.55 52.54 3ck6 s ASP 164 Cb 0.27 0.60 2.07 0.00 -0.30 0.00 0.00 42.92 45.56 3ck6 s ASP 164 CO 0.13 -0.31 2.28 -0.33 -0.17 0.00 0.00 175.17 176.77 3ck6 h GLU 165 N 7.57 0.00 0.00 4.34 5.08 -1.83 0.72 114.58 130.46 3ck6 h GLU 165 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3ck6 h GLU 165 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3ck6 h GLU 165 CO 0.25 0.01 0.00 -1.13 -1.00 0.00 0.00 179.01 177.15 3ck6 n SER 166 N -3.39 0.27 -0.64 1.42 3.41 -1.26 -2.22 113.62 111.21 3ck6 n SER 166 Ca -0.03 0.61 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 3ck6 n SER 166 Cb 0.11 -0.65 0.04 0.00 -0.26 0.00 0.00 64.21 63.45 3ck6 n SER 166 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ck6 n THR 167 N -1.84 0.00 -0.80 6.66 -2.24 0.25 -4.76 114.28 111.55 3ck6 n THR 167 Ca 0.00 -0.39 -0.23 0.00 -2.27 0.00 0.00 64.05 61.17 3ck6 n THR 167 Cb 0.07 1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.61 3ck6 n THR 167 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3ck6 n TYR 168 N 0.53 1.38 -0.66 4.78 4.02 -0.94 -4.54 117.16 121.73 3ck6 n TYR 168 Ca 0.10 -2.02 0.07 0.00 -0.01 0.00 0.00 57.90 56.05 3ck6 n TYR 168 Cb 0.47 -1.73 0.37 0.00 -0.02 0.00 0.00 39.34 38.43 3ck6 n TYR 168 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3ck6 n ASN 169 N 4.01 5.12 -0.00 7.72 5.03 -1.26 -4.63 115.26 131.24 3ck6 n ASN 169 Ca 0.47 -2.71 -0.00 0.00 0.87 0.00 0.00 54.58 53.21 3ck6 n ASN 169 Cb 0.18 -0.64 0.30 0.00 -1.02 0.00 0.00 39.78 38.59 3ck6 n ASN 169 CO 0.00 0.00 0.00 1.12 -1.83 0.00 0.00 177.26 176.55 3ck6 h HIS 170 N 3.79 0.54 -0.31 3.10 2.07 -1.97 -2.37 115.15 120.00 3ck6 h HIS 170 Ca 0.00 -0.05 -0.05 0.00 -2.85 0.00 0.00 60.37 57.41 3ck6 h HIS 170 Cb 1.71 -0.16 -0.01 0.00 2.57 0.00 0.00 27.41 31.52 3ck6 h HIS 170 CO 0.92 0.54 -0.01 0.82 -3.07 0.00 0.00 177.93 177.13 3ck6 h ILE 171 N 0.50 1.26 -0.54 6.12 2.04 -1.98 -0.85 117.51 124.06 3ck6 h ILE 171 Ca 0.11 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 3ck6 h ILE 171 Cb 0.33 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3ck6 h ILE 171 CO 0.01 0.32 0.20 0.00 0.00 0.00 0.00 178.15 178.68 3ck6 h ALA 172 N 0.83 0.70 -0.41 1.87 0.00 -1.87 -1.12 119.26 119.26 3ck6 h ALA 172 Ca 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3ck6 h ALA 172 Cb 0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ck6 h ALA 172 CO 0.02 0.33 0.16 0.00 0.00 0.00 0.00 179.25 179.76 3ck6 h ALA 173 N 1.05 0.54 -0.54 0.00 0.00 -1.39 -1.18 119.26 117.74 3ck6 h ALA 173 Ca 0.18 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3ck6 h ALA 173 Cb 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3ck6 h ALA 173 CO -0.01 0.14 0.32 0.37 0.00 0.00 0.00 179.25 180.07 3ck6 h GLN 174 N 0.52 0.61 -0.35 0.00 4.15 -0.98 -0.67 115.11 118.38 3ck6 h GLN 174 Ca 0.14 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.57 3ck6 h GLN 174 Cb 0.20 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 3ck6 h GLN 174 CO -0.01 0.40 0.08 0.87 -1.93 0.00 0.00 178.83 178.24 3ck6 h LYS 175 N 0.63 0.19 -0.14 1.69 1.57 -0.99 -1.17 116.57 118.35 3ck6 h LYS 175 Ca 0.22 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3ck6 h LYS 175 Cb 0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3ck6 h LYS 175 CO -0.11 0.13 0.08 0.00 -0.57 0.00 0.00 179.45 178.99 3ck6 h ALA 176 N 1.26 0.18 -0.47 3.86 0.00 -0.88 -2.51 119.26 120.70 3ck6 h ALA 176 Ca 0.16 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3ck6 h ALA 176 Cb 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ck6 h ALA 176 CO -0.21 -0.29 0.10 -0.07 0.00 0.00 0.00 179.25 178.77 3ck6 h LEU 177 N 0.15 0.72 -0.91 0.00 3.38 -0.90 -1.93 115.31 115.81 3ck6 h LEU 177 Ca 0.05 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 3ck6 h LEU 177 Cb 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3ck6 h LEU 177 CO -0.01 0.78 -0.09 0.16 0.09 0.00 0.00 178.44 179.37 3ck6 h ILE 178 N 0.63 1.25 -0.78 1.22 3.07 -1.23 -0.25 117.51 121.42 3ck6 h ILE 178 Ca 0.14 -1.09 -0.02 0.00 1.55 0.00 0.00 64.86 65.44 3ck6 h ILE 178 Cb 0.35 1.04 -0.04 0.00 -0.27 0.00 0.00 36.82 37.90 3ck6 h ILE 178 CO 0.00 0.37 0.40 0.28 -1.05 0.00 0.00 178.15 178.16 3ck6 h SER 179 N 0.64 1.00 -0.05 2.16 0.02 -1.15 -1.97 113.55 114.21 3ck6 h SER 179 Ca 0.12 -0.10 -0.16 0.00 -0.84 0.00 0.00 61.79 60.81 3ck6 h SER 179 Cb 0.53 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.83 3ck6 h SER 179 CO 0.03 0.82 -0.59 0.40 -1.14 0.00 0.00 176.83 176.35 3ck6 h ILE 180 N 1.10 1.39 -0.97 3.27 1.08 -1.15 -3.24 117.51 119.00 3ck6 h ILE 180 Ca 0.27 -1.98 0.12 0.00 -0.39 0.00 0.00 64.86 62.89 3ck6 h ILE 180 Cb 0.07 2.39 -0.09 0.00 -3.07 0.00 0.00 36.82 36.13 3ck6 h ILE 180 CO -0.04 0.59 0.59 0.50 -0.69 0.00 0.00 178.15 179.10 3ck6 h LYS 181 N 0.04 0.89 -0.96 2.37 3.64 -0.94 0.16 116.57 121.77 3ck6 h LYS 181 Ca -0.06 -0.05 0.31 0.00 -1.27 0.00 0.00 60.65 59.57 3ck6 h LYS 181 Cb 1.27 -0.20 -0.17 0.00 -0.41 0.00 0.00 32.23 32.72 3ck6 h LYS 181 CO 0.12 0.59 0.28 -0.09 -2.27 0.00 0.00 179.45 178.08 3ck6 h ARG 182 N 0.92 0.09 0.00 1.90 2.43 -1.38 -2.54 114.38 115.80 3ck6 h ARG 182 Ca 0.49 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.50 3ck6 h ARG 182 Cb 0.52 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 3ck6 h ARG 182 CO -0.28 0.06 -1.81 1.19 -1.51 0.00 0.00 179.97 177.62 3ck6 n PHE 183 N -5.31 0.00 0.10 2.20 3.72 -0.56 -4.52 117.46 113.10 3ck6 n PHE 183 Ca 0.28 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.64 3ck6 n PHE 183 Cb 0.91 -0.53 0.14 0.00 -0.94 0.00 0.00 39.48 39.06 3ck6 n PHE 183 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3ck6 h ILE 184 N 0.00 1.41 0.10 4.37 2.04 -0.50 -1.90 117.51 123.02 3ck6 h ILE 184 Ca -0.22 -2.03 -0.00 0.00 1.00 0.00 0.00 64.86 63.60 3ck6 h ILE 184 Cb 1.37 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 3ck6 h ILE 184 CO 0.01 0.59 -0.05 -0.09 0.00 0.00 0.00 178.15 178.62 3ck6 h ARG 185 N 0.11 -0.12 -0.13 2.37 2.43 -1.70 -2.83 114.38 114.50 3ck6 h ARG 185 Ca -0.01 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3ck6 h ARG 185 Cb 1.10 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3ck6 h ARG 185 CO 0.09 0.11 0.10 -1.35 -1.51 0.00 0.00 179.97 177.41 3ck6 h PRO 186 N -0.35 0.00 -0.81 0.20 0.11 -1.78 -2.79 132.00 126.58 3ck6 h PRO 186 Ca -0.01 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.11 3ck6 h PRO 186 Cb 0.29 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.36 3ck6 h PRO 186 CO 0.02 0.00 0.53 0.37 -0.21 0.00 0.00 178.00 178.71 3ck6 h GLN 187 N 0.00 1.04 -0.57 1.05 4.15 -1.13 0.11 115.11 119.76 3ck6 h GLN 187 Ca 0.06 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3ck6 h GLN 187 Cb 0.26 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 3ck6 h GLN 187 CO -0.00 0.69 0.29 0.37 -1.93 0.00 0.00 178.83 178.25 3ck6 h GLN 188 N 1.07 0.82 -0.24 1.69 4.15 -1.26 -1.49 115.11 119.85 3ck6 h GLN 188 Ca 0.31 -0.11 -0.13 0.00 0.77 0.00 0.00 58.65 59.49 3ck6 h GLN 188 Cb -0.08 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.45 3ck6 h GLN 188 CO -0.08 0.65 -0.38 1.88 -1.93 0.00 0.00 178.83 178.96 3ck6 h TYR 189 N 0.78 0.64 -0.24 3.99 0.99 -1.41 -0.39 116.97 121.32 3ck6 h TYR 189 Ca 0.20 -0.18 0.04 0.00 2.00 0.00 0.00 58.73 60.80 3ck6 h TYR 189 Cb 0.09 -0.14 -0.04 0.00 1.00 0.00 0.00 36.73 37.63 3ck6 h TYR 189 CO -0.01 0.85 -0.02 0.00 -0.00 0.00 0.00 178.16 178.97 3ck6 h ALA 190 N 1.13 0.19 -0.46 3.88 0.00 -0.53 0.13 119.26 123.61 3ck6 h ALA 190 Ca 0.04 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3ck6 h ALA 190 Cb 0.87 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3ck6 h ALA 190 CO 0.07 -0.44 -0.07 0.82 0.00 0.00 0.00 179.25 179.64 3ck6 h ILE 191 N 0.04 1.27 -0.56 0.00 2.04 -1.15 0.28 117.51 119.44 3ck6 h ILE 191 Ca 0.12 -1.16 0.10 0.00 1.00 0.00 0.00 64.86 64.91 3ck6 h ILE 191 Cb 0.16 1.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 3ck6 h ILE 191 CO -0.22 0.40 0.13 -0.09 0.00 0.00 0.00 178.15 178.38 3ck6 h ARG 192 N 0.69 0.27 -0.40 2.37 2.43 -0.88 -2.05 114.38 116.81 3ck6 h ARG 192 Ca 0.12 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 3ck6 h ARG 192 Cb 0.60 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3ck6 h ARG 192 CO 0.04 0.18 -0.33 -0.44 -1.51 0.00 0.00 179.97 177.91 3ck6 h ASP 193 N 0.27 0.96 -0.39 -3.80 3.32 -0.45 -1.72 116.42 114.61 3ck6 h ASP 193 Ca 0.29 -0.41 0.07 0.00 0.02 0.00 0.00 57.03 56.99 3ck6 h ASP 193 Cb 0.40 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 3ck6 h ASP 193 CO -0.35 1.19 0.04 0.25 -1.72 0.00 0.00 179.24 178.65 3ck6 h LEU 194 N 0.76 -0.07 -0.53 1.55 5.85 -0.77 -1.73 115.31 120.38 3ck6 h LEU 194 Ca 0.08 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3ck6 h LEU 194 Cb 0.90 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3ck6 h LEU 194 CO 0.08 0.00 0.24 0.40 -0.34 0.00 0.00 178.44 178.82 3ck6 h ILE 195 N 0.16 1.21 0.00 4.05 2.04 -1.15 -2.75 117.51 121.07 3ck6 h ILE 195 Ca 0.19 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3ck6 h ILE 195 Cb 0.25 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3ck6 h ILE 195 CO -0.28 0.24 -0.06 -0.33 0.00 0.00 0.00 178.15 177.71 3ck6 h GLU 196 N 0.71 0.00 0.00 2.37 3.07 -1.03 -2.85 114.58 116.85 3ck6 h GLU 196 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3ck6 h GLU 196 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3ck6 h GLU 196 CO -0.02 0.06 0.00 0.66 -1.40 0.00 0.00 179.01 178.31 3ck6 h SER 197 N 0.00 0.00 -2.89 1.42 4.64 -1.00 -3.46 113.55 112.26 3ck6 h SER 197 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 3ck6 h SER 197 Cb 0.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 3ck6 h SER 197 CO 0.01 0.00 -0.46 -0.62 -0.87 0.00 0.00 176.83 174.89 3ck6 n GLU 198 N -2.49 -1.76 -1.60 4.77 -0.58 -1.08 -4.93 120.64 112.97 3ck6 n GLU 198 Ca 0.01 0.94 -0.44 0.00 -0.42 0.00 0.00 57.16 57.25 3ck6 n GLU 198 Cb 0.21 -5.54 -0.01 0.00 -0.57 0.00 0.00 31.44 25.54 3ck6 n GLU 198 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3ck6 n SER 199 N -1.82 1.36 0.02 1.62 2.88 -1.26 -4.68 113.62 111.73 3ck6 n SER 199 Ca -0.22 1.16 0.22 0.00 -1.33 0.00 0.00 58.87 58.70 3ck6 n SER 199 Cb 0.66 -1.31 0.72 0.00 -0.75 0.00 0.00 64.21 63.53 3ck6 n SER 199 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3ck6 h GLU 200 N 1.94 0.00 0.00 -1.46 4.11 -1.93 0.18 114.58 117.42 3ck6 h GLU 200 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 3ck6 h GLU 200 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 3ck6 h GLU 200 CO 0.60 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 179.61 3ck6 h LEU 201 N 0.00 0.00 0.00 3.06 3.38 -1.97 -3.20 115.31 116.57 3ck6 h LEU 201 Ca 0.26 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.86 3ck6 h LEU 201 Cb 1.28 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.96 3ck6 h LEU 201 CO -0.00 0.00 -2.37 0.52 0.09 0.00 0.00 178.44 176.68 3ck6 n VAL 202 N -2.84 1.38 0.31 1.22 0.31 0.45 -4.52 118.33 114.63 3ck6 n VAL 202 Ca 0.03 -0.55 0.16 0.00 -0.01 0.00 0.00 64.34 63.96 3ck6 n VAL 202 Cb 0.38 -1.28 0.63 0.00 -0.91 0.00 0.00 33.84 32.66 3ck6 n VAL 202 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3ck6 h THR 203 N 0.00 0.00 0.00 2.52 1.35 -1.11 -0.11 112.91 115.55 3ck6 h THR 203 Ca -0.54 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 3ck6 h THR 203 Cb 1.86 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 3ck6 h THR 203 CO -0.07 0.00 0.00 0.77 -0.25 0.00 0.00 175.52 175.97 3ck6 h SER 204 N 0.00 0.00 -1.70 5.36 4.64 -1.79 -3.37 113.55 116.69 3ck6 h SER 204 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 3ck6 h SER 204 Cb 0.47 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.20 3ck6 h SER 204 CO 0.00 0.00 -1.08 -2.11 -0.87 0.00 0.00 176.83 172.77 3ck6 n ARG 205 N -3.02 0.96 -0.18 4.77 1.85 -0.08 -4.99 116.66 115.97 3ck6 n ARG 205 Ca 0.02 -3.15 -0.08 0.00 -1.00 0.00 0.00 57.85 53.65 3ck6 n ARG 205 Cb 0.41 -1.58 0.02 0.00 -1.05 0.00 0.00 32.46 30.26 3ck6 n ARG 205 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 3ck6 h PRO 206 N 3.07 0.74 -0.36 2.89 0.13 -1.66 -1.81 132.00 135.00 3ck6 h PRO 206 Ca 0.07 -0.10 -0.17 0.00 -0.87 0.00 0.00 66.00 64.93 3ck6 h PRO 206 Cb 0.98 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 3ck6 h PRO 206 CO 0.44 0.60 -0.43 0.45 -0.23 0.00 0.00 178.00 178.83 3ck6 h HIS 207 N 0.70 1.11 -0.61 1.56 3.86 -1.94 -1.76 115.15 118.07 3ck6 h HIS 207 Ca 0.18 -0.35 -0.02 0.00 -1.16 0.00 0.00 60.37 59.02 3ck6 h HIS 207 Cb 0.09 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 3ck6 h HIS 207 CO -0.01 1.18 0.28 1.96 0.86 0.00 0.00 177.93 182.20 3ck6 h GLN 208 N 0.73 0.88 -0.18 2.45 7.50 -1.91 -1.22 115.11 123.36 3ck6 h GLN 208 Ca 0.05 -0.13 -0.12 0.00 0.50 0.00 0.00 58.65 58.95 3ck6 h GLN 208 Cb 1.03 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 28.39 3ck6 h GLN 208 CO 0.10 0.72 -0.39 1.88 -1.50 0.00 0.00 178.83 179.64 3ck6 h TYR 209 N 0.83 0.47 -0.36 2.96 -1.99 -1.15 -2.13 116.97 115.60 3ck6 h TYR 209 Ca 0.21 -0.13 -0.09 0.00 2.00 0.00 0.00 58.73 60.72 3ck6 h TYR 209 Cb 0.13 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.74 3ck6 h TYR 209 CO 0.00 0.73 -0.15 0.00 -0.00 0.00 0.00 178.16 178.74 3ck6 h ARG 210 N 0.34 0.65 -0.58 4.88 2.47 -0.99 -1.38 114.38 119.77 3ck6 h ARG 210 Ca 0.03 -0.22 0.02 0.00 -1.26 0.00 0.00 59.98 58.56 3ck6 h ARG 210 Cb 0.83 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.06 3ck6 h ARG 210 CO 0.07 0.78 0.36 0.74 0.56 0.00 0.00 179.97 182.47 3ck6 h PHE 211 N 0.59 0.67 -0.81 3.04 0.04 -0.98 -0.47 116.94 119.02 3ck6 h PHE 211 Ca 0.10 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 3ck6 h PHE 211 Cb 0.60 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 3ck6 h PHE 211 CO 0.03 0.39 0.38 0.00 -0.60 0.00 0.00 178.31 178.51 3ck6 h ALA 212 N 1.25 1.05 -0.53 2.45 0.00 -0.99 -0.50 119.26 121.99 3ck6 h ALA 212 Ca 0.23 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3ck6 h ALA 212 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3ck6 h ALA 212 CO -0.09 0.62 0.04 1.25 0.00 0.00 0.00 179.25 181.07 3ck6 h HIS 213 N 1.16 0.91 -0.68 0.00 -0.00 -1.09 -1.94 115.15 113.50 3ck6 h HIS 213 Ca 0.28 -0.12 -0.08 0.00 -0.00 0.00 0.00 60.37 60.45 3ck6 h HIS 213 Cb 0.13 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.26 3ck6 h HIS 213 CO 0.01 0.81 0.11 -0.97 -0.00 0.00 0.00 177.93 177.90 3ck6 h ASN 214 N 0.81 1.08 -0.60 3.26 -1.24 -0.47 -1.46 115.58 116.96 3ck6 h ASN 214 Ca 0.16 -0.26 -0.07 0.00 0.71 0.00 0.00 56.30 56.84 3ck6 h ASN 214 Cb 0.43 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 3ck6 h ASN 214 CO 0.02 1.06 0.10 0.78 -1.29 0.00 0.00 177.43 178.10 3ck6 h ASN 215 N 1.05 0.95 -0.33 1.15 2.35 -0.77 -0.89 115.58 119.10 3ck6 h ASN 215 Ca 0.21 -0.26 -0.13 0.00 -0.55 0.00 0.00 56.30 55.57 3ck6 h ASN 215 Cb 0.44 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3ck6 h ASN 215 CO 0.01 0.97 -0.26 -0.29 -1.65 0.00 0.00 177.43 176.21 3ck6 h ILE 216 N 0.90 1.27 -0.30 2.81 6.09 -1.27 -1.22 117.51 125.79 3ck6 h ILE 216 Ca 0.18 -1.41 0.00 0.00 -1.37 0.00 0.00 64.86 62.27 3ck6 h ILE 216 Cb 0.42 1.25 -0.01 0.00 0.47 0.00 0.00 36.82 38.94 3ck6 h ILE 216 CO 0.01 0.47 0.19 0.74 -3.07 0.00 0.00 178.15 176.49 3ck6 h THR 217 N 0.72 1.09 -0.32 2.19 2.02 -1.14 -2.16 112.91 115.30 3ck6 h THR 217 Ca 0.09 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.14 3ck6 h THR 217 Cb 0.80 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 3ck6 h THR 217 CO 0.07 0.09 0.03 -0.09 0.37 0.00 0.00 175.52 175.98 3ck6 h ARG 218 N 0.40 0.12 -0.50 6.66 2.43 -0.94 -0.82 114.38 121.73 3ck6 h ARG 218 Ca 0.11 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.37 3ck6 h ARG 218 Cb -0.02 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.42 3ck6 h ARG 218 CO -0.02 0.08 0.03 0.82 -1.51 0.00 0.00 179.97 179.37 3ck6 h ILE 219 N 0.13 0.64 -0.62 1.20 2.04 -0.99 0.17 117.51 120.09 3ck6 h ILE 219 Ca 0.16 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.98 3ck6 h ILE 219 Cb 0.20 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3ck6 h ILE 219 CO -0.24 0.03 0.40 0.78 0.00 0.00 0.00 178.15 179.12 3ck6 h ASN 220 N 0.15 0.69 -0.59 1.72 2.35 -0.89 -0.29 115.58 118.72 3ck6 h ASN 220 Ca 0.25 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.92 3ck6 h ASN 220 Cb 0.37 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 3ck6 h ASN 220 CO -0.39 0.49 0.11 -0.33 -1.65 0.00 0.00 177.43 175.66 3ck6 h GLU 221 N 0.82 1.00 -0.53 0.81 5.08 -0.38 -1.99 114.58 119.39 3ck6 h GLU 221 Ca 0.23 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3ck6 h GLU 221 Cb -0.06 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3ck6 h GLU 221 CO -0.07 0.92 0.15 1.15 -1.00 0.00 0.00 179.01 180.16 3ck6 h THR 222 N 0.94 1.24 -0.48 1.13 2.02 -0.32 -1.48 112.91 115.95 3ck6 h THR 222 Ca 0.19 -0.83 0.03 0.00 0.77 0.00 0.00 66.41 66.57 3ck6 h THR 222 Cb 0.40 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 3ck6 h THR 222 CO 0.01 0.30 0.27 0.40 0.37 0.00 0.00 175.52 176.88 3ck6 h ILE 223 N 0.74 1.02 -0.91 3.11 2.04 -0.81 -0.83 117.51 121.87 3ck6 h ILE 223 Ca 0.17 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3ck6 h ILE 223 Cb 0.31 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3ck6 h ILE 223 CO -0.00 0.10 0.58 -0.33 0.00 0.00 0.00 178.15 178.50 3ck6 h GLU 224 N 0.54 1.21 -0.45 2.37 4.39 -1.15 -1.56 114.58 119.93 3ck6 h GLU 224 Ca 0.20 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 3ck6 h GLU 224 Cb 0.05 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 3ck6 h GLU 224 CO -0.11 0.82 0.15 0.35 -1.16 0.00 0.00 179.01 179.06 3ck6 h PHE 225 N 1.24 0.72 -0.69 4.33 3.57 -0.75 -1.93 116.94 123.43 3ck6 h PHE 225 Ca 0.33 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 3ck6 h PHE 225 Cb -0.11 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.39 3ck6 h PHE 225 CO 0.00 0.64 0.30 1.88 -2.23 0.00 0.00 178.31 178.90 3ck6 h TYR 226 N 0.59 1.02 -0.88 0.41 0.05 -0.77 -0.04 116.97 117.34 3ck6 h TYR 226 Ca 0.15 -0.06 0.03 0.00 0.05 0.00 0.00 58.73 58.90 3ck6 h TYR 226 Cb 0.25 -0.31 -0.05 0.00 1.01 0.00 0.00 36.73 37.62 3ck6 h TYR 226 CO 0.01 0.77 0.57 -0.07 -1.05 0.00 0.00 178.16 178.39 3ck6 h LEU 227 N 0.96 0.95 -1.06 3.88 3.38 -1.19 0.53 115.31 122.76 3ck6 h LEU 227 Ca 0.23 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3ck6 h LEU 227 Cb 0.16 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3ck6 h LEU 227 CO -0.02 0.65 0.33 1.23 0.09 0.00 0.00 178.44 180.72 3ck6 h GLY 228 N 1.11 1.07 0.83 0.83 0.00 -0.84 0.42 103.07 106.48 3ck6 h GLY 228 Ca 0.35 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 3ck6 h GLY 228 CO -0.12 0.49 -0.01 0.83 0.00 0.00 0.00 176.54 177.74 3ck6 h GLU 229 N 0.99 0.39 -0.31 4.80 5.08 -0.26 -1.80 114.58 123.48 3ck6 h GLU 229 Ca 0.24 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 3ck6 h GLU 229 Cb 0.11 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 3ck6 h GLU 229 CO -0.03 0.58 0.03 0.28 -1.00 0.00 0.00 179.01 178.87 3ck6 h VAL 230 N 0.15 0.81 -0.91 3.13 2.07 -0.78 -1.31 116.25 119.41 3ck6 h VAL 230 Ca 0.06 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3ck6 h VAL 230 Cb 0.41 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3ck6 h VAL 230 CO 0.01 0.02 0.58 0.00 0.02 0.00 0.00 177.57 178.20 3ck6 h ALA 231 N 1.25 1.16 -0.51 1.67 0.00 -0.82 -1.56 119.26 120.44 3ck6 h ALA 231 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3ck6 h ALA 231 Cb 0.18 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3ck6 h ALA 231 CO -0.22 0.59 0.26 1.25 0.00 0.00 0.00 179.25 181.13 3ck6 h LEU 232 N 1.25 0.66 -1.02 0.00 5.85 -1.13 -2.41 115.31 118.51 3ck6 h LEU 232 Ca 0.33 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 3ck6 h LEU 232 Cb -0.10 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 3ck6 h LEU 232 CO -0.07 0.59 0.08 0.15 -0.34 0.00 0.00 178.44 178.86 3ck6 h PHE 233 N 0.69 0.82 -0.74 1.25 3.57 -0.74 0.17 116.94 121.96 3ck6 h PHE 233 Ca 0.18 -0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.65 3ck6 h PHE 233 Cb 0.09 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.54 3ck6 h PHE 233 CO -0.01 0.71 0.43 1.96 -2.23 0.00 0.00 178.31 179.18 3ck6 h GLN 234 N 0.75 0.78 -0.45 1.11 4.20 -1.16 -0.37 115.11 119.97 3ck6 h GLN 234 Ca 0.16 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 3ck6 h GLN 234 Cb 0.34 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3ck6 h GLN 234 CO 0.01 0.51 -0.06 -0.44 -0.67 0.00 0.00 178.83 178.18 3ck6 h ASP 235 N 0.80 0.84 -0.17 1.46 3.45 -0.88 -2.17 116.42 119.75 3ck6 h ASP 235 Ca 0.32 -0.34 0.05 0.00 0.43 0.00 0.00 57.03 57.49 3ck6 h ASP 235 Cb 0.17 -0.23 -0.05 0.00 -0.56 0.00 0.00 39.33 38.66 3ck6 h ASP 235 CO -0.17 0.98 -0.16 -0.08 -1.57 0.00 0.00 179.24 178.24 3ck6 h GLU 236 N 0.69 -0.17 -0.58 3.56 4.81 -0.19 0.11 114.58 122.80 3ck6 h GLU 236 Ca 0.12 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.43 3ck6 h GLU 236 Cb 0.59 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 3ck6 h GLU 236 CO 0.04 -0.11 0.27 0.82 -0.73 0.00 0.00 179.01 179.29 3ck6 h ILE 237 N -0.18 0.88 -0.44 2.32 2.04 -1.00 0.24 117.51 121.37 3ck6 h ILE 237 Ca 0.11 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 3ck6 h ILE 237 Cb 0.34 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3ck6 h ILE 237 CO -0.28 0.09 0.02 0.11 0.00 0.00 0.00 178.15 178.09 3ck6 h LYS 238 N 0.50 0.70 -0.15 2.37 1.57 -0.70 -0.58 116.57 120.28 3ck6 h LYS 238 Ca 0.28 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 3ck6 h LYS 238 Cb 0.25 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3ck6 h LYS 238 CO -0.22 0.70 -0.27 1.25 -0.57 0.00 0.00 179.45 180.34 3ck6 h HIS 239 N 0.66 0.56 -0.44 -1.35 2.76 -0.42 -2.95 115.15 113.97 3ck6 h HIS 239 Ca 0.14 -0.20 -0.01 0.00 -2.20 0.00 0.00 60.37 58.10 3ck6 h HIS 239 Cb 0.39 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 3ck6 h HIS 239 CO 0.02 0.90 0.25 -0.97 -1.30 0.00 0.00 177.93 176.83 3ck6 h ASN 240 N 0.06 0.54 -0.60 3.26 -1.24 -0.76 -1.05 115.58 115.80 3ck6 h ASN 240 Ca 0.01 -0.08 -0.08 0.00 0.71 0.00 0.00 56.30 56.87 3ck6 h ASN 240 Cb 0.86 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.74 3ck6 h ASN 240 CO 0.06 0.46 0.08 -0.09 -1.29 0.00 0.00 177.43 176.65 3ck6 h ARG 241 N 0.58 1.03 0.00 6.67 2.43 -1.21 0.17 114.38 124.06 3ck6 h ARG 241 Ca 0.16 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3ck6 h ARG 241 Cb 0.03 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3ck6 h ARG 241 CO -0.03 0.96 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.84 3ck6 h ASP 242 N 0.96 0.00 0.69 -3.80 3.32 -1.40 -3.24 116.42 112.96 3ck6 h ASP 242 Ca 0.19 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 3ck6 h ASP 242 Cb 0.44 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3ck6 h ASP 242 CO 0.01 0.12 -1.38 -0.62 -1.72 0.00 0.00 179.24 175.65 3ck6 n GLU 243 N -3.17 0.62 0.00 3.56 -0.58 -0.41 -5.10 120.64 115.57 3ck6 n GLU 243 Ca 0.02 0.12 0.12 0.00 -0.42 0.00 0.00 57.16 57.01 3ck6 n GLU 243 Cb 0.49 -1.77 0.15 0.00 -0.57 0.00 0.00 31.44 29.74 3ck6 n GLU 243 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01