#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ck6 n GLY 2 N 0.00 0.00 2.37 0.00 0.00 -1.26 -5.19 105.19 101.10 3ck6 n GLY 2 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3ck6 n GLY 2 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3ck6 n PHE 3 N 0.00 0.67 0.08 1.61 -1.74 -1.26 -4.85 117.46 111.96 3ck6 n PHE 3 Ca 0.00 -1.45 0.00 0.00 -0.56 0.00 0.00 57.45 55.44 3ck6 n PHE 3 Cb 0.00 -1.42 0.00 0.00 1.52 0.00 0.00 39.48 39.58 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 3.34 0.00 -3.79 1.97 5.41 0.43 -0.14 119.36 126.58 3ck6 n ILE 5 Ca 0.36 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 64.00 3ck6 n ILE 5 Cb 0.37 -0.27 -0.08 0.00 -0.71 0.00 0.00 39.64 38.96 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 -2.00 0.78 -0.04 0.38 2.12 -1.03 -5.01 118.70 113.91 3ck6 s GLU 6 Ca 0.00 -0.59 -0.01 0.00 0.36 0.00 0.00 54.97 54.73 3ck6 s GLU 6 Cb 0.00 0.33 0.03 0.00 0.26 0.00 0.00 34.13 34.76 3ck6 s GLU 6 CO 0.00 -0.25 0.07 -1.58 -0.54 0.00 0.00 175.26 172.96 3ck6 s HIS 7 N -2.70 0.00 0.04 5.30 5.65 -1.26 -0.90 115.29 121.42 3ck6 s HIS 7 Ca -0.04 0.27 0.06 0.00 0.25 0.00 0.00 55.06 55.61 3ck6 s HIS 7 Cb -0.00 -0.33 -0.02 0.00 -1.18 0.00 0.00 32.58 31.04 3ck6 s HIS 7 CO -0.04 -0.16 -0.18 -1.58 -0.65 0.00 0.00 174.74 172.12 3ck6 s TRP 8 N 1.69 1.60 -0.26 3.88 0.52 -0.33 -0.40 118.94 125.63 3ck6 s TRP 8 Ca -0.02 -0.36 -0.05 0.00 0.02 0.00 0.00 56.10 55.68 3ck6 s TRP 8 Cb -0.12 -0.96 -0.00 0.00 -1.15 0.00 0.00 33.47 31.24 3ck6 s TRP 8 CO -0.04 0.07 0.03 0.34 0.02 0.00 0.00 176.95 177.37 3ck6 s ASP 9 N -1.15 4.79 -0.26 2.95 2.15 0.40 -0.48 116.67 125.07 3ck6 s ASP 9 Ca 0.05 -0.54 0.13 0.00 0.43 0.00 0.00 52.55 52.62 3ck6 s ASP 9 Cb -0.08 -1.82 0.68 0.00 -0.30 0.00 0.00 42.92 41.40 3ck6 s ASP 9 CO 0.02 -0.10 1.66 0.49 -0.17 0.00 0.00 175.17 177.06 3ck6 n PHE 10 N 4.83 1.85 -0.35 -5.34 3.01 0.25 -1.59 117.46 120.12 3ck6 n PHE 10 Ca -0.16 -1.06 0.04 0.00 1.01 0.00 0.00 57.45 57.29 3ck6 n PHE 10 Cb 0.49 -0.53 0.20 0.00 -0.01 0.00 0.00 39.48 39.62 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 2.56 0.94 -2.24 4.37 0.02 -1.88 -3.43 113.55 113.89 3ck6 h SER 11 Ca 0.13 0.03 -0.52 0.00 -0.84 0.00 0.00 61.79 60.60 3ck6 h SER 11 Cb 1.96 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 64.28 3ck6 h SER 11 CO 0.52 0.56 -0.54 0.42 -1.14 0.00 0.00 176.83 176.64 3ck6 s THR 12 N -6.01 4.33 0.00 -2.27 -4.23 -1.26 -5.14 115.64 101.06 3ck6 s THR 12 Ca -0.12 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 3ck6 s THR 12 Cb 0.21 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.72 3ck6 s THR 12 CO 0.81 -0.33 0.52 -2.65 -0.54 0.00 0.00 174.62 172.42 3ck6 n PRO 13 N -1.08 0.00 -3.85 3.99 -0.02 -1.26 -4.86 135.00 127.92 3ck6 n PRO 13 Ca -0.08 -0.04 -0.12 0.00 -2.02 0.00 0.00 63.50 61.24 3ck6 n PRO 13 Cb 0.58 -1.49 -0.12 0.00 -0.02 0.00 0.00 33.50 32.45 3ck6 n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ck6 s ALA 15 N 3.01 -0.30 0.01 3.55 0.00 -1.26 -4.50 121.76 122.27 3ck6 s ALA 15 Ca 0.00 0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.16 3ck6 s ALA 15 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3ck6 s ALA 15 CO 0.00 -0.12 -0.21 0.95 0.00 0.00 0.00 175.76 176.38 3ck6 s THR 16 N -0.54 1.64 0.08 0.00 -4.23 -0.62 -4.92 115.64 107.05 3ck6 s THR 16 Ca -0.06 -1.00 -0.30 0.00 -1.18 0.00 0.00 61.69 59.15 3ck6 s THR 16 Cb -0.04 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.36 3ck6 s THR 16 CO 0.01 0.36 1.02 -1.58 -0.54 0.00 0.00 174.62 173.89 3ck6 s GLN 17 N -0.75 4.61 0.44 3.99 0.74 -1.26 -0.45 119.66 126.96 3ck6 s GLN 17 Ca 0.08 1.53 0.03 0.00 0.05 0.00 0.00 55.36 57.05 3ck6 s GLN 17 Cb -0.08 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.62 3ck6 s GLN 17 CO 0.00 0.05 0.06 -1.21 -0.55 0.00 0.00 175.29 173.64 3ck6 s GLU 18 N 0.37 2.00 0.49 1.67 0.41 0.46 -4.93 118.70 119.16 3ck6 s GLU 18 Ca 0.50 -2.22 -0.23 0.00 -0.41 0.00 0.00 54.97 52.61 3ck6 s GLU 18 Cb -0.24 -1.10 -0.07 0.00 -1.78 0.00 0.00 34.13 30.94 3ck6 s GLU 18 CO 0.30 -0.35 1.32 -0.08 -0.49 0.00 0.00 175.26 175.96 3ck6 s THR 19 N -3.04 2.37 -2.42 3.63 -1.32 -1.26 -4.35 115.64 109.25 3ck6 s THR 19 Ca 0.20 0.30 0.22 0.00 -1.21 0.00 0.00 61.69 61.20 3ck6 s THR 19 Cb 0.04 -3.16 0.42 0.00 -1.51 0.00 0.00 72.50 68.29 3ck6 s THR 19 CO 0.11 0.01 1.45 1.07 -2.21 0.00 0.00 174.62 175.05 3ck6 n THR 20 N -0.55 0.36 -1.86 5.08 5.66 -1.26 -4.75 114.28 116.95 3ck6 n THR 20 Ca 0.08 -0.57 -0.41 0.00 -3.05 0.00 0.00 64.05 60.09 3ck6 n THR 20 Cb 0.45 0.75 -0.02 0.00 -1.55 0.00 0.00 70.33 69.97 3ck6 n THR 20 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3ck6 s THR 21 N -1.64 2.27 -0.75 1.09 2.01 -1.26 -4.89 115.64 112.46 3ck6 s THR 21 Ca 0.35 0.23 -0.26 0.00 0.31 0.00 0.00 61.69 62.33 3ck6 s THR 21 Cb 0.20 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.50 3ck6 s THR 21 CO 0.29 0.04 2.13 0.00 -0.69 0.00 0.00 174.62 176.39 3ck6 s ALA 22 N -0.20 1.49 0.00 7.40 0.00 -1.26 -4.90 121.76 124.29 3ck6 s ALA 22 Ca 0.60 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3ck6 s ALA 22 Cb -0.46 -4.48 0.00 0.00 0.00 0.00 0.00 23.12 18.19 3ck6 s ALA 22 CO 0.49 -4.89 0.00 0.39 0.00 0.00 0.00 175.76 171.75 3ck6 n GLU 23 N 8.94 3.89 -3.10 0.00 1.02 -1.26 -5.11 120.64 125.01 3ck6 n GLU 23 Ca 0.37 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 57.12 3ck6 n GLU 23 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.85 3ck6 n GLU 23 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3ck6 s HIS 24 N 1.20 3.68 0.60 -0.32 5.65 -1.26 -4.97 115.29 119.87 3ck6 s HIS 24 Ca 0.00 1.30 -0.18 0.00 0.25 0.00 0.00 55.06 56.43 3ck6 s HIS 24 Cb 0.00 -2.71 -0.03 0.00 -1.18 0.00 0.00 32.58 28.65 3ck6 s HIS 24 CO 0.00 0.28 1.16 0.96 -0.65 0.00 0.00 174.74 176.49 3ck6 s ILE 25 N 0.04 2.92 0.02 0.89 -4.36 -1.26 -5.06 121.20 114.40 3ck6 s ILE 25 Ca 0.35 0.54 0.04 0.00 -0.26 0.00 0.00 60.65 61.32 3ck6 s ILE 25 Cb -0.19 -3.17 -0.02 0.00 1.25 0.00 0.00 42.46 40.34 3ck6 s ILE 25 CO 0.19 -0.16 -0.13 -1.10 0.24 0.00 0.00 174.94 173.98 3ck6 s GLN 26 N -3.49 0.92 0.43 0.37 -1.52 -1.26 -5.08 119.66 110.03 3ck6 s GLN 26 Ca 0.73 -0.64 -0.26 0.00 -1.95 0.00 0.00 55.36 53.25 3ck6 s GLN 26 Cb -0.26 -0.90 -0.09 0.00 -0.22 0.00 0.00 33.01 31.54 3ck6 s GLN 26 CO 0.33 0.23 1.37 -2.30 -0.25 0.00 0.00 175.29 174.67 3ck6 n PRO 27 N 2.19 2.14 -0.96 2.91 -0.02 -1.26 -2.41 135.00 137.60 3ck6 n PRO 27 Ca -0.17 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3ck6 n PRO 27 Cb 0.55 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 3ck6 n PRO 27 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ck6 n ASN 28 N 0.04 -2.30 -4.92 2.55 4.13 0.85 -4.83 115.26 110.77 3ck6 n ASN 28 Ca 0.05 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 56.01 3ck6 n ASN 28 Cb 0.40 -0.90 -0.04 0.00 -1.54 0.00 0.00 39.78 37.70 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 -2.37 3.50 -0.14 3.10 3.76 -1.01 -0.58 115.29 121.55 3ck6 s HIS 29 Ca 0.00 0.32 -0.00 0.00 -0.15 0.00 0.00 55.06 55.23 3ck6 s HIS 29 Cb 0.00 -1.82 -0.01 0.00 1.11 0.00 0.00 32.58 31.86 3ck6 s HIS 29 CO 0.00 0.54 -0.13 -0.46 -0.85 0.00 0.00 174.74 173.84 3ck6 s TRP 30 N -1.58 2.82 -0.22 1.40 -0.00 0.37 -1.36 118.94 120.38 3ck6 s TRP 30 Ca 0.37 -0.70 0.01 0.00 -0.00 0.00 0.00 56.10 55.78 3ck6 s TRP 30 Cb -0.13 -1.87 0.03 0.00 -0.00 0.00 0.00 33.47 31.51 3ck6 s TRP 30 CO 0.27 -0.25 -0.14 0.71 -0.00 0.00 0.00 176.95 177.54 3ck6 s TYR 31 N 0.47 3.00 -0.23 5.86 2.02 -0.22 -1.19 117.35 127.07 3ck6 s TYR 31 Ca -0.09 -1.81 -0.08 0.00 -0.37 0.00 0.00 57.07 54.71 3ck6 s TYR 31 Cb -0.16 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 3ck6 s TYR 31 CO 0.04 -0.81 0.10 -1.58 -1.57 0.00 0.00 175.55 171.74 3ck6 s HIS 32 N 1.25 3.20 0.11 2.71 2.46 -0.08 -0.92 115.29 124.02 3ck6 s HIS 32 Ca -0.00 -0.05 0.05 0.00 0.47 0.00 0.00 55.06 55.52 3ck6 s HIS 32 Cb -0.16 -2.20 -0.04 0.00 -0.13 0.00 0.00 32.58 30.05 3ck6 s HIS 32 CO -0.08 -0.07 -0.12 0.00 -2.47 0.00 0.00 174.74 172.00 3ck6 s GLU 34 N -2.85 3.95 0.41 0.00 0.41 0.80 -1.18 118.70 120.24 3ck6 s GLU 34 Ca 0.08 0.90 0.13 0.00 -0.41 0.00 0.00 54.97 55.68 3ck6 s GLU 34 Cb -0.03 -3.79 0.86 0.00 -1.78 0.00 0.00 34.13 29.39 3ck6 s GLU 34 CO 0.02 -1.07 1.91 -0.09 -0.49 0.00 0.00 175.26 175.54 3ck6 h ARG 35 N 8.48 0.02 -0.12 1.61 2.43 -0.90 -3.10 114.38 122.80 3ck6 h ARG 35 Ca -0.21 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3ck6 h ARG 35 Cb 1.06 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3ck6 h ARG 35 CO 1.07 0.28 0.00 1.28 -1.51 0.00 0.00 179.97 181.08 3ck6 n LEU 36 N -4.22 2.06 -4.72 3.80 4.77 -1.26 -4.92 117.00 112.50 3ck6 n LEU 36 Ca -0.02 -0.78 -0.42 0.00 -0.03 0.00 0.00 56.01 54.77 3ck6 n LEU 36 Cb 0.32 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3ck6 n LEU 36 CO 0.38 0.39 0.84 -2.28 -1.33 0.00 0.00 177.39 175.39 3ck6 s HIS 37 N -1.86 3.50 0.54 -1.77 2.46 -1.17 -4.91 115.29 112.07 3ck6 s HIS 37 Ca 0.35 1.43 0.37 0.00 0.47 0.00 0.00 55.06 57.68 3ck6 s HIS 37 Cb 0.20 -3.36 1.55 0.00 -0.13 0.00 0.00 32.58 30.85 3ck6 s HIS 37 CO 0.30 -0.98 1.77 -1.00 -2.47 0.00 0.00 174.74 172.37 3ck6 h PRO 38 N 6.15 0.02 0.00 2.88 0.13 -1.92 -2.51 132.00 136.75 3ck6 h PRO 38 Ca -0.43 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.77 0.01 -0.43 -0.25 -0.23 0.00 0.00 178.00 177.88 3ck6 n ASP 39 N -4.18 0.67 -0.10 1.44 8.00 -1.26 -4.40 116.55 116.71 3ck6 n ASP 39 Ca 0.28 0.22 -0.13 0.00 0.71 0.00 0.00 54.79 55.87 3ck6 n ASP 39 Cb 1.33 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 42.29 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 0.00 1.30 -0.71 0.53 2.10 -1.76 -2.77 117.51 116.20 3ck6 h ILE 40 Ca 0.00 -1.39 0.08 0.00 1.08 0.00 0.00 64.86 64.63 3ck6 h ILE 40 Cb 0.70 1.53 -0.06 0.00 -1.09 0.00 0.00 36.82 37.90 3ck6 h ILE 40 CO 0.00 0.45 0.38 -0.09 -1.08 0.00 0.00 178.15 177.80 3ck6 h ARG 41 N 0.44 0.64 -0.37 2.19 2.43 -1.79 -1.14 114.38 116.78 3ck6 h ARG 41 Ca 0.06 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3ck6 h ARG 41 Cb 0.80 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 3ck6 h ARG 41 CO 0.06 0.42 0.18 0.78 -1.51 0.00 0.00 179.97 179.91 3ck6 h GLY 42 N 0.66 0.57 0.82 2.80 0.00 -1.79 -1.29 103.07 104.84 3ck6 h GLY 42 Ca 0.33 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.41 3ck6 h GLY 42 CO -0.23 0.27 0.10 -0.25 0.00 0.00 0.00 176.54 176.43 3ck6 h TRP 43 N 0.47 0.18 -0.41 5.60 7.01 -1.19 0.25 115.95 127.85 3ck6 h TRP 43 Ca 0.13 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 3ck6 h TRP 43 Cb 0.11 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.11 3ck6 h TRP 43 CO -0.02 0.09 0.25 -0.07 -2.79 0.00 0.00 178.44 175.91 3ck6 h LEU 44 N 0.22 0.49 -0.43 0.65 3.38 -1.01 -1.70 115.31 116.91 3ck6 h LEU 44 Ca 0.11 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 3ck6 h LEU 44 Cb 0.07 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3ck6 h LEU 44 CO -0.10 0.39 -0.32 -0.33 0.09 0.00 0.00 178.44 178.17 3ck6 h GLU 45 N 0.55 0.97 -0.53 1.13 5.08 -1.10 -1.39 114.58 119.29 3ck6 h GLU 45 Ca 0.15 -0.47 0.11 0.00 -1.00 0.00 0.00 59.36 58.15 3ck6 h GLU 45 Cb -0.01 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3ck6 h GLU 45 CO -0.03 1.14 0.36 -0.44 -1.00 0.00 0.00 179.01 179.04 3ck6 h ASP 46 N 0.81 0.22 -0.39 1.42 3.32 -0.32 0.13 116.42 121.62 3ck6 h ASP 46 Ca 0.08 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3ck6 h ASP 46 Cb 0.91 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3ck6 h ASP 46 CO 0.08 0.13 0.00 0.59 -1.72 0.00 0.00 179.24 178.32 3ck6 n ASN 47 N -4.45 2.53 -1.16 6.45 3.02 -0.66 -4.93 115.26 116.07 3ck6 n ASN 47 Ca 0.09 -2.13 -0.12 0.00 -0.03 0.00 0.00 54.58 52.39 3ck6 n ASN 47 Cb 0.43 -0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 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 0.61 -0.32 -2.35 3.10 8.25 0.47 -5.00 115.22 119.98 3ck6 n HIS 48 Ca 0.14 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.18 3ck6 n HIS 48 Cb 0.45 -2.48 -0.03 0.00 1.12 0.00 0.00 29.99 29.05 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 -2.53 3.86 0.48 1.59 1.01 -0.56 -4.97 120.40 119.28 3ck6 s VAL 49 Ca 0.00 1.32 -0.24 0.00 0.00 0.00 0.00 61.98 63.05 3ck6 s VAL 49 Cb 0.00 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 3ck6 s VAL 49 CO 0.00 0.08 1.42 -2.84 0.00 0.00 0.00 175.10 173.76 3ck6 s PRO 50 N 1.33 3.53 0.24 2.72 0.02 -1.26 -4.40 135.00 137.18 3ck6 s PRO 50 Ca 0.60 2.40 -0.09 0.00 0.02 0.00 0.00 61.00 63.93 3ck6 s PRO 50 Cb -0.31 -2.55 0.38 0.00 0.02 0.00 0.00 34.50 32.04 3ck6 s PRO 50 CO 0.28 -0.93 1.62 -0.09 -0.33 0.00 0.00 177.00 177.55 3ck6 h ARG 51 N 2.09 0.06 -0.06 5.54 9.65 -1.98 -1.01 114.38 128.66 3ck6 h ARG 51 Ca -0.51 -0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.25 3ck6 h ARG 51 Cb 1.28 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 3ck6 h ARG 51 CO 0.60 0.04 -0.49 0.00 2.80 0.00 0.00 179.97 182.92 3ck6 h ALA 52 N 1.72 1.08 -0.27 2.80 0.00 -1.98 0.92 119.26 123.52 3ck6 h ALA 52 Ca 0.39 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3ck6 h ALA 52 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3ck6 h ALA 52 CO -0.70 0.63 -0.10 1.15 0.00 0.00 0.00 179.25 180.24 3ck6 h THR 53 N 0.12 1.29 -0.16 0.00 2.02 -1.74 0.00 112.91 114.44 3ck6 h THR 53 Ca 0.00 -1.16 0.02 0.00 0.77 0.00 0.00 66.41 66.05 3ck6 h THR 53 Cb 0.91 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 3ck6 h THR 53 CO 0.07 0.36 0.04 0.58 0.37 0.00 0.00 175.52 176.95 3ck6 h VAL 54 N 0.28 0.95 -0.61 3.16 2.07 -0.93 0.53 116.25 121.70 3ck6 h VAL 54 Ca 0.06 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 67.65 3ck6 h VAL 54 Cb 0.59 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 3ck6 h VAL 54 CO 0.03 0.02 0.16 0.44 0.02 0.00 0.00 177.57 178.25 3ck6 h ASP 55 N 0.12 0.08 -0.42 0.57 3.32 -0.68 0.19 116.42 119.60 3ck6 h ASP 55 Ca 0.07 0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 3ck6 h ASP 55 Cb 0.05 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3ck6 h ASP 55 CO -0.08 0.05 -0.11 -0.74 -1.72 0.00 0.00 179.24 176.64 3ck6 h HIS 56 N 0.31 0.91 -0.98 4.55 2.76 -0.66 -1.85 115.15 120.19 3ck6 h HIS 56 Ca 0.32 -0.20 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 3ck6 h HIS 56 Cb 0.45 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 29.14 3ck6 h HIS 56 CO -0.22 0.93 0.64 1.25 -1.30 0.00 0.00 177.93 179.23 3ck6 h LEU 57 N 0.63 1.14 -2.63 0.26 5.85 -0.18 -2.98 115.31 117.39 3ck6 h LEU 57 Ca 0.10 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3ck6 h LEU 57 Cb 0.64 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3ck6 h LEU 57 CO 0.04 0.83 0.00 0.18 -0.34 0.00 0.00 178.44 179.15 3ck6 n LEU 58 N -4.38 3.75 -4.72 2.25 4.77 -0.01 -4.93 117.00 113.72 3ck6 n LEU 58 Ca 0.11 -1.85 -0.34 0.00 -0.03 0.00 0.00 56.01 53.90 3ck6 n LEU 58 Cb 0.02 -0.40 0.09 0.00 -2.33 0.00 0.00 43.42 40.80 3ck6 n LEU 58 CO 0.37 0.90 0.79 0.00 -1.33 0.00 0.00 177.39 178.13 3ck6 s ALA 59 N -1.13 2.11 0.10 -1.18 0.00 -0.70 -4.94 121.76 116.01 3ck6 s ALA 59 Ca 0.44 0.87 -0.26 0.00 0.00 0.00 0.00 51.96 53.01 3ck6 s ALA 59 Cb 0.24 -3.47 -0.13 0.00 0.00 0.00 0.00 23.12 19.76 3ck6 s ALA 59 CO 0.32 -1.89 1.69 0.22 0.00 0.00 0.00 175.76 176.09 3ck6 h ASP 60 N -0.33 -0.36 -2.61 0.00 3.58 -1.92 -3.44 116.42 111.34 3ck6 h ASP 60 Ca -0.47 0.03 -0.54 0.00 0.42 0.00 0.00 57.03 56.46 3ck6 h ASP 60 Cb 1.29 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.44 3ck6 h ASP 60 CO 0.50 -0.21 -0.45 -1.61 -2.88 0.00 0.00 179.24 174.58 3ck6 s GLU 61 N -6.14 3.45 0.13 0.28 0.41 -1.26 -5.11 118.70 110.47 3ck6 s GLU 61 Ca -0.15 -0.55 -0.24 0.00 -0.41 0.00 0.00 54.97 53.62 3ck6 s GLU 61 Cb 0.06 -2.95 0.07 0.00 -1.78 0.00 0.00 34.13 29.54 3ck6 s GLU 61 CO 0.65 0.51 0.68 -1.54 -0.49 0.00 0.00 175.26 175.07 3ck6 s SER 62 N -3.20 -0.50 0.06 -0.19 1.04 -1.26 -5.06 113.70 104.60 3ck6 s SER 62 Ca 0.35 -0.05 0.05 0.00 0.48 0.00 0.00 55.95 56.78 3ck6 s SER 62 Cb -0.11 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 3ck6 s SER 62 CO 0.29 -0.92 -0.14 0.00 0.98 0.00 0.00 173.24 173.45 3ck6 s ARG 63 N -3.61 0.80 0.27 4.02 1.70 -1.26 -5.12 118.95 115.74 3ck6 s ARG 63 Ca 0.03 -0.91 -0.30 0.00 -0.47 0.00 0.00 55.73 54.07 3ck6 s ARG 63 Cb -0.01 -0.79 -0.13 0.00 -0.57 0.00 0.00 34.95 33.45 3ck6 s ARG 63 CO -0.10 0.18 1.37 -2.30 -1.08 0.00 0.00 175.30 173.36 3ck6 n PRO 64 N 1.37 2.06 -3.59 3.89 -0.02 -1.26 -4.81 135.00 132.65 3ck6 n PRO 64 Ca -0.21 0.73 -0.05 0.00 -2.02 0.00 0.00 63.50 61.95 3ck6 n PRO 64 Cb 0.54 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 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 0.12 -0.20 -0.04 2.55 1.04 -0.69 -4.60 113.70 111.88 3ck6 s SER 65 Ca 0.65 -0.06 0.06 0.00 0.48 0.00 0.00 55.95 57.07 3ck6 s SER 65 Cb -0.62 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.74 3ck6 s SER 65 CO 0.53 -0.43 -0.21 0.12 0.98 0.00 0.00 173.24 174.23 3ck6 s PHE 66 N -2.72 2.02 -0.25 5.02 5.36 -1.26 -0.66 117.98 125.49 3ck6 s PHE 66 Ca 0.09 -0.53 -0.02 0.00 -0.96 0.00 0.00 56.93 55.51 3ck6 s PHE 66 Cb -0.00 -1.33 0.08 0.00 -0.34 0.00 0.00 43.02 41.43 3ck6 s PHE 66 CO -0.05 -0.14 0.06 -1.01 -1.46 0.00 0.00 175.22 172.62 3ck6 s HIS 67 N -0.19 1.30 0.08 10.12 3.76 -1.26 -5.00 115.29 124.10 3ck6 s HIS 67 Ca -0.00 -1.25 -0.31 0.00 -0.15 0.00 0.00 55.06 53.36 3ck6 s HIS 67 Cb -0.11 -1.31 -0.06 0.00 1.11 0.00 0.00 32.58 32.21 3ck6 s HIS 67 CO 0.02 -0.74 1.23 -1.25 -0.85 0.00 0.00 174.74 173.15 3ck6 s PRO 68 N 1.76 4.42 0.00 8.40 0.04 -1.26 -4.40 135.00 143.96 3ck6 s PRO 68 Ca 0.04 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.90 3ck6 s PRO 68 Cb -0.17 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.05 3ck6 s PRO 68 CO -0.17 -0.27 0.00 1.28 0.04 0.00 0.00 177.00 177.88 3ck6 n LEU 69 N 3.79 0.00 -4.79 -3.56 4.77 0.06 -4.96 117.00 112.31 3ck6 n LEU 69 Ca 0.09 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.75 3ck6 n LEU 69 Cb 0.46 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.59 3ck6 n LEU 69 CO 0.56 0.00 0.72 -1.81 -1.33 0.00 0.00 177.39 175.53 3ck6 s ASP 70 N -0.13 5.22 1.30 -1.43 1.01 -1.26 -4.62 116.67 116.74 3ck6 s ASP 70 Ca 0.00 1.81 0.00 0.00 0.71 0.00 0.00 52.55 55.07 3ck6 s ASP 70 Cb 0.00 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.41 3ck6 s ASP 70 CO 0.00 -1.55 0.00 0.47 0.21 0.00 0.00 175.17 174.30 3ck6 n ASP 71 N -2.77 0.00 -1.27 0.27 8.00 -1.26 -0.62 116.55 118.90 3ck6 n ASP 71 Ca 0.09 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.69 3ck6 n ASP 71 Cb 0.53 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.93 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 3.60 3.71 -4.83 -2.24 8.00 -1.26 -4.99 116.55 118.54 3ck6 n ASP 72 Ca 0.00 -2.08 -0.32 0.00 0.71 0.00 0.00 54.79 53.09 3ck6 n ASP 72 Cb 0.00 -0.46 -0.04 0.00 -0.02 0.00 0.00 41.12 40.60 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 -0.97 6.60 0.00 -2.24 0.01 0.21 -4.91 114.94 113.65 3ck6 s ASN 73 Ca 0.45 1.63 0.00 0.00 -0.71 0.00 0.00 52.86 54.23 3ck6 s ASN 73 Cb 0.24 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.39 3ck6 s ASN 73 CO 0.28 -0.60 0.00 2.22 -1.51 0.00 0.00 177.10 177.49 3ck6 n PHE 74 N -1.41 0.00 0.00 2.20 1.16 -0.21 -0.76 117.46 118.43 3ck6 n PHE 74 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.65 3ck6 n PHE 74 Cb 0.54 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.41 3ck6 n PHE 74 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 3ck6 n LEU 76 N 0.00 0.00 -4.43 5.98 7.94 0.11 -0.26 117.00 126.35 3ck6 n LEU 76 Ca 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.57 3ck6 n LEU 76 Cb 0.00 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.81 3ck6 n LEU 76 CO 0.00 0.00 -0.44 -0.63 -1.11 0.00 0.00 177.39 175.21 3ck6 s ILE 77 N 0.00 3.17 0.10 1.96 1.01 0.17 -0.37 121.20 127.25 3ck6 s ILE 77 Ca 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 3ck6 s ILE 77 Cb 0.00 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3ck6 s ILE 77 CO 0.00 0.55 -0.01 -0.76 0.00 0.00 0.00 174.94 174.72 3ck6 s LEU 78 N -0.05 2.22 0.12 2.97 1.43 -0.30 -1.70 118.68 123.37 3ck6 s LEU 78 Ca -0.02 -1.09 0.10 0.00 -1.03 0.00 0.00 54.13 52.09 3ck6 s LEU 78 Cb -0.14 0.13 -0.04 0.00 0.03 0.00 0.00 46.19 46.18 3ck6 s LEU 78 CO 0.04 -0.61 -0.24 -0.13 0.23 0.00 0.00 176.35 175.64 3ck6 s ARG 79 N -3.94 1.27 0.15 1.70 1.81 -1.26 -0.34 118.95 118.34 3ck6 s ARG 79 Ca 0.16 -1.26 -0.00 0.00 -1.72 0.00 0.00 55.73 52.90 3ck6 s ARG 79 Cb 0.07 -1.66 -0.04 0.00 -0.45 0.00 0.00 34.95 32.87 3ck6 s ARG 79 CO -0.03 0.39 0.04 0.20 -0.68 0.00 0.00 175.30 175.22 3ck6 s GLY 80 N -2.00 1.08 0.35 -3.53 0.00 -0.27 -4.94 107.32 98.01 3ck6 s GLY 80 Ca 0.11 -1.52 -0.29 0.00 0.00 0.00 0.00 44.72 43.02 3ck6 s GLY 80 CO 0.05 -1.42 1.51 1.39 0.00 0.00 0.00 173.10 174.63 3ck6 n ILE 81 N -0.15 1.67 -2.72 0.90 2.08 -1.26 -0.80 119.36 119.08 3ck6 n ILE 81 Ca -0.06 -0.42 -0.23 0.00 0.56 0.00 0.00 62.75 62.60 3ck6 n ILE 81 Cb 0.64 -1.95 0.03 0.00 -0.75 0.00 0.00 39.64 37.61 3ck6 n ILE 81 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3ck6 s ASN 82 N 0.07 5.58 0.00 4.38 3.84 -0.55 -4.65 114.94 123.61 3ck6 s ASN 82 Ca 0.57 0.32 0.00 0.00 0.21 0.00 0.00 52.86 53.96 3ck6 s ASN 82 Cb -0.49 -1.39 0.00 0.00 -0.55 0.00 0.00 41.25 38.82 3ck6 s ASN 82 CO 0.59 -0.95 0.00 0.59 -2.79 0.00 0.00 177.10 174.54 3ck6 n ASN 84 N -2.31 -0.02 -4.81 -4.21 3.02 -1.26 -3.29 115.26 102.38 3ck6 n ASN 84 Ca 0.04 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.26 3ck6 n ASN 84 Cb 0.58 0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 40.01 3ck6 n ASN 84 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3ck6 s GLU 85 N -3.29 3.64 -0.84 3.52 -1.05 -1.26 -3.22 118.70 116.19 3ck6 s GLU 85 Ca 0.00 1.23 0.00 0.00 -0.15 0.00 0.00 54.97 56.05 3ck6 s GLU 85 Cb 0.00 -2.08 0.00 0.00 -0.44 0.00 0.00 34.13 31.61 3ck6 s GLU 85 CO 0.00 -0.55 0.00 0.09 0.95 0.00 0.00 175.26 175.75 3ck6 n ASN 86 N -1.48 -4.63 -4.26 0.83 5.03 -1.26 -5.00 115.26 104.49 3ck6 n ASN 86 Ca 0.09 0.20 -0.14 0.00 0.87 0.00 0.00 54.58 55.59 3ck6 n ASN 86 Cb 0.53 -2.83 -0.10 0.00 -1.02 0.00 0.00 39.78 36.36 3ck6 n ASN 86 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ck6 s ALA 87 N -2.07 1.47 0.02 5.41 0.00 -1.20 -5.15 121.76 120.24 3ck6 s ALA 87 Ca 0.00 -1.56 -0.03 0.00 0.00 0.00 0.00 51.96 50.37 3ck6 s ALA 87 Cb 0.00 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 3ck6 s ALA 87 CO 0.00 -0.18 0.23 -1.12 0.00 0.00 0.00 175.76 174.68 3ck6 s SER 88 N -3.19 6.41 0.38 0.00 0.01 -1.26 -4.85 113.70 111.20 3ck6 s SER 88 Ca 0.20 0.41 0.12 0.00 1.31 0.00 0.00 55.95 57.99 3ck6 s SER 88 Cb 0.04 -2.03 0.93 0.00 0.21 0.00 0.00 66.02 65.17 3ck6 s SER 88 CO 0.02 0.23 1.87 -0.65 0.41 0.00 0.00 173.24 175.12 3ck6 h PRO 89 N 3.67 0.55 0.00 12.44 0.11 -1.91 -1.83 132.00 145.03 3ck6 h PRO 89 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ck6 h PRO 89 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ck6 h PRO 89 CO 0.70 0.37 0.00 -0.85 -0.21 0.00 0.00 178.00 178.00 3ck6 n GLU 90 N -4.55 0.14 -2.65 1.05 0.00 -1.26 -1.49 120.64 111.89 3ck6 n GLU 90 Ca 0.18 0.22 -0.42 0.00 0.00 0.00 0.00 57.16 57.15 3ck6 n GLU 90 Cb 0.56 -1.70 -0.03 0.00 0.00 0.00 0.00 31.44 30.26 3ck6 n GLU 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3ck6 s ASP 91 N -3.86 6.46 0.02 -1.84 1.01 -0.69 -4.50 116.67 113.28 3ck6 s ASP 91 Ca 0.09 -1.40 0.05 0.00 0.71 0.00 0.00 52.55 52.01 3ck6 s ASP 91 Cb 0.13 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.51 3ck6 s ASP 91 CO 0.48 -1.46 -0.16 -1.48 0.21 0.00 0.00 175.17 172.75 3ck6 s LEU 93 N 4.58 2.11 -0.20 1.23 0.05 0.02 -4.49 118.68 121.98 3ck6 s LEU 93 Ca 0.40 -0.39 -0.13 0.00 0.05 0.00 0.00 54.13 54.06 3ck6 s LEU 93 Cb -0.03 -0.77 -0.04 0.00 -2.05 0.00 0.00 46.19 43.29 3ck6 s LEU 93 CO -0.05 0.13 0.28 -0.55 -0.55 0.00 0.00 176.35 175.61 3ck6 s SER 94 N -0.81 6.32 -0.23 1.48 0.15 -1.26 -1.11 113.70 118.23 3ck6 s SER 94 Ca 0.05 0.37 -0.05 0.00 0.70 0.00 0.00 55.95 57.02 3ck6 s SER 94 Cb -0.07 -2.17 -0.01 0.00 -1.71 0.00 0.00 66.02 62.06 3ck6 s SER 94 CO 0.01 0.03 -0.01 -0.63 1.20 0.00 0.00 173.24 173.83 3ck6 s ILE 95 N 0.98 3.58 -0.18 6.45 -1.09 0.54 -4.34 121.20 127.14 3ck6 s ILE 95 Ca 0.14 -0.46 -0.01 0.00 -2.23 0.00 0.00 60.65 58.09 3ck6 s ILE 95 Cb -0.14 -2.66 0.00 0.00 -1.58 0.00 0.00 42.46 38.09 3ck6 s ILE 95 CO 0.05 0.37 -0.14 -0.13 -1.23 0.00 0.00 174.94 173.87 3ck6 s ARG 96 N 1.50 3.19 -0.08 2.79 0.52 -0.91 -1.15 118.95 124.81 3ck6 s ARG 96 Ca 0.05 -0.74 0.04 0.00 -0.52 0.00 0.00 55.73 54.57 3ck6 s ARG 96 Cb -0.15 -2.71 -0.00 0.00 0.52 0.00 0.00 34.95 32.61 3ck6 s ARG 96 CO -0.02 -0.11 -0.22 0.42 0.02 0.00 0.00 175.30 175.39 3ck6 s ILE 97 N 1.15 1.90 -0.15 1.52 1.01 0.51 -0.88 121.20 126.25 3ck6 s ILE 97 Ca 0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 3ck6 s ILE 97 Cb -0.14 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 3ck6 s ILE 97 CO -0.05 0.53 -0.07 -0.22 0.00 0.00 0.00 174.94 175.12 3ck6 s LEU 98 N 0.25 3.03 -0.33 2.97 2.96 0.11 0.10 118.68 127.78 3ck6 s LEU 98 Ca -0.14 -0.21 -0.10 0.00 -0.22 0.00 0.00 54.13 53.45 3ck6 s LEU 98 Cb -0.16 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.81 3ck6 s LEU 98 CO 0.07 0.16 0.17 -0.47 -1.32 0.00 0.00 176.35 174.96 3ck6 s TYR 99 N 0.39 3.20 -0.10 5.38 5.04 0.64 -0.69 117.35 131.21 3ck6 s TYR 99 Ca -0.06 -0.67 -0.04 0.00 -2.44 0.00 0.00 57.07 53.85 3ck6 s TYR 99 Cb -0.15 -2.38 0.05 0.00 0.35 0.00 0.00 41.96 39.84 3ck6 s TYR 99 CO 0.04 -0.51 0.21 0.12 -1.34 0.00 0.00 175.55 174.07 3ck6 s PHE 100 N 1.60 -0.29 -1.79 4.97 5.36 -0.23 -1.05 117.98 126.55 3ck6 s PHE 100 Ca 0.04 0.74 -0.22 0.00 -0.96 0.00 0.00 56.93 56.53 3ck6 s PHE 100 Cb -0.18 -0.07 0.22 0.00 -0.34 0.00 0.00 43.02 42.65 3ck6 s PHE 100 CO 0.06 -0.26 0.61 1.04 -1.46 0.00 0.00 175.22 175.22 3ck6 n GLN 101 N 4.76 -1.25 -0.81 10.12 6.02 -1.26 -0.73 117.38 134.22 3ck6 n GLN 101 Ca -0.16 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3ck6 n GLN 101 Cb 0.51 -4.79 0.00 0.00 1.02 0.00 0.00 30.24 26.98 3ck6 n GLN 101 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ck6 n GLY 102 N -1.10 0.79 3.74 1.08 0.00 -1.26 -4.02 105.19 104.42 3ck6 n GLY 102 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.05 3.44 -0.27 4.61 0.00 0.09 -0.11 121.76 126.47 3ck6 s ALA 103 Ca 0.00 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 3ck6 s ALA 103 Cb 0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 3ck6 s ALA 103 CO 0.00 0.65 0.10 -1.17 0.00 0.00 0.00 175.76 175.34 3ck6 s LEU 104 N -2.57 3.67 -0.23 0.00 0.20 -0.46 -1.07 118.68 118.22 3ck6 s LEU 104 Ca 0.28 -0.30 -0.02 0.00 0.69 0.00 0.00 54.13 54.78 3ck6 s LEU 104 Cb -0.11 -1.95 0.02 0.00 -0.43 0.00 0.00 46.19 43.71 3ck6 s LEU 104 CO 0.21 -0.09 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.48 3ck6 s ILE 105 N 1.62 2.90 0.03 6.68 1.01 0.13 -1.05 121.20 132.52 3ck6 s ILE 105 Ca 0.06 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.87 3ck6 s ILE 105 Cb -0.16 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 3ck6 s ILE 105 CO 0.05 0.29 -0.11 -0.94 0.00 0.00 0.00 174.94 174.23 3ck6 s SER 106 N 1.36 4.33 0.02 3.58 1.04 -0.10 0.08 113.70 124.01 3ck6 s SER 106 Ca 0.02 -0.26 0.05 0.00 0.48 0.00 0.00 55.95 56.24 3ck6 s SER 106 Cb -0.16 -0.90 -0.02 0.00 0.10 0.00 0.00 66.02 65.05 3ck6 s SER 106 CO -0.05 0.26 -0.15 0.42 0.98 0.00 0.00 173.24 174.70 3ck6 s THR 107 N -1.00 1.19 0.10 2.02 -4.23 -0.06 -0.28 115.64 113.38 3ck6 s THR 107 Ca 0.17 -0.85 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 3ck6 s THR 107 Cb -0.11 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 3ck6 s THR 107 CO 0.08 0.18 -0.07 0.00 -0.54 0.00 0.00 174.62 174.27 3ck6 s ARG 108 N -0.77 0.82 -0.23 3.99 1.70 -0.32 -2.13 118.95 122.01 3ck6 s ARG 108 Ca 0.04 -1.30 -0.09 0.00 -0.47 0.00 0.00 55.73 53.91 3ck6 s ARG 108 Cb -0.07 -0.23 -0.11 0.00 -0.57 0.00 0.00 34.95 33.97 3ck6 s ARG 108 CO 0.00 -0.01 -0.28 1.17 -1.08 0.00 0.00 175.30 175.11 3ck6 n LYS 109 N 0.05 0.51 -4.12 3.89 4.81 -1.26 -0.18 118.16 121.85 3ck6 n LYS 109 Ca -0.13 0.20 -0.15 0.00 -0.87 0.00 0.00 58.31 57.36 3ck6 n LYS 109 Cb 0.60 -1.35 -0.12 0.00 0.02 0.00 0.00 35.03 34.18 3ck6 n LYS 109 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3ck6 s ILE 110 N -2.43 0.58 0.40 3.15 -4.36 -1.26 -4.93 121.20 112.35 3ck6 s ILE 110 Ca -0.32 -0.83 -0.26 0.00 -0.26 0.00 0.00 60.65 58.98 3ck6 s ILE 110 Cb 0.11 -0.59 -0.11 0.00 1.25 0.00 0.00 42.46 43.13 3ck6 s ILE 110 CO 0.43 -0.20 1.20 -2.65 0.24 0.00 0.00 174.94 173.96 3ck6 n PRO 111 N 1.93 1.80 -4.14 0.37 -0.02 -1.26 -4.99 135.00 128.68 3ck6 n PRO 111 Ca -0.19 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.58 3ck6 n PRO 111 Cb 0.56 -2.26 -0.11 0.00 -0.02 0.00 0.00 33.50 31.67 3ck6 n PRO 111 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ck6 s SER 112 N -0.54 5.29 0.28 2.55 0.15 -1.26 -4.84 113.70 115.33 3ck6 s SER 112 Ca 0.60 -0.01 -0.02 0.00 0.70 0.00 0.00 55.95 57.22 3ck6 s SER 112 Cb -0.54 -1.89 0.39 0.00 -1.71 0.00 0.00 66.02 62.27 3ck6 s SER 112 CO 0.59 0.16 1.84 -0.09 1.20 0.00 0.00 173.24 176.94 3ck6 h ARG 113 N 6.78 0.89 -0.44 5.44 9.65 -1.95 -2.93 114.38 131.82 3ck6 h ARG 113 Ca -0.35 -0.16 0.07 0.00 -1.10 0.00 0.00 59.98 58.44 3ck6 h ARG 113 Cb 1.18 -0.14 -0.06 0.00 -1.39 0.00 0.00 29.97 29.55 3ck6 h ARG 113 CO 0.67 0.76 0.08 0.00 2.80 0.00 0.00 179.97 184.28 3ck6 h ALA 114 N 1.35 0.48 0.00 2.80 0.00 -1.95 -1.38 119.26 120.55 3ck6 h ALA 114 Ca 0.20 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3ck6 h ALA 114 Cb 0.23 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ck6 h ALA 114 CO -0.01 -0.32 0.00 -0.89 0.00 0.00 0.00 179.25 178.03 3ck6 n ILE 115 N -5.11 0.99 0.00 0.00 5.41 -1.11 -2.62 119.36 116.93 3ck6 n ILE 115 Ca 0.04 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.60 3ck6 n ILE 115 Cb 0.21 -1.12 0.00 0.00 -0.71 0.00 0.00 39.64 38.02 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 1.32 0.00 -0.04 0.38 1.02 -0.52 -0.91 120.64 121.89 3ck6 n GLU 117 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 3ck6 n GLU 117 Cb 0.31 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.66 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 1.26 -0.86 -3.67 2.04 -1.78 -1.78 117.51 112.72 3ck6 h ILE 118 Ca 0.00 -0.83 0.11 0.00 1.00 0.00 0.00 64.86 65.14 3ck6 h ILE 118 Cb 0.00 1.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.58 3ck6 h ILE 118 CO 0.00 0.24 0.49 0.03 0.00 0.00 0.00 178.15 178.91 3ck6 h ARG 119 N -0.07 0.77 -0.43 2.37 3.08 -1.33 -0.70 114.38 118.07 3ck6 h ARG 119 Ca 0.03 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3ck6 h ARG 119 Cb 0.37 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3ck6 h ARG 119 CO 0.01 0.51 0.17 1.96 -1.07 0.00 0.00 179.97 181.54 3ck6 h GLN 120 N 0.79 0.65 -0.46 0.04 4.20 -1.78 -1.57 115.11 116.97 3ck6 h GLN 120 Ca 0.43 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3ck6 h GLN 120 Cb 0.45 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 3ck6 h GLN 120 CO -0.28 0.60 0.29 0.00 -0.67 0.00 0.00 178.83 178.77 3ck6 h ALA 121 N 1.02 0.59 -0.68 3.87 0.00 -0.83 -1.36 119.26 121.86 3ck6 h ALA 121 Ca 0.14 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3ck6 h ALA 121 Cb 0.20 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3ck6 h ALA 121 CO -0.01 0.06 0.40 -0.07 0.00 0.00 0.00 179.25 179.64 3ck6 h LEU 122 N 0.62 0.63 -1.72 0.00 3.38 -1.08 0.29 115.31 117.43 3ck6 h LEU 122 Ca 0.17 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3ck6 h LEU 122 Cb -0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3ck6 h LEU 122 CO -0.03 0.42 -0.03 0.00 0.09 0.00 0.00 178.44 178.89 3ck6 h ALA 123 N 1.33 1.78 -0.38 1.53 0.00 -0.78 -1.22 119.26 121.51 3ck6 h ALA 123 Ca 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ck6 h ALA 123 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ck6 h ALA 123 CO -0.15 0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.66 3ck6 n GLU 124 N -4.42 2.01 -2.75 0.00 -0.58 -0.56 -4.93 120.64 109.42 3ck6 n GLU 124 Ca -0.01 -1.56 -0.20 0.00 -0.42 0.00 0.00 57.16 54.97 3ck6 n GLU 124 Cb 0.16 -1.37 0.02 0.00 -0.57 0.00 0.00 31.44 29.68 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 0.77 -1.48 -1.64 -0.32 8.25 -0.46 -4.89 115.22 115.44 3ck6 n HIS 125 Ca 0.16 0.32 0.04 0.00 -0.26 0.00 0.00 57.72 57.98 3ck6 n HIS 125 Cb 0.39 -3.99 0.07 0.00 1.12 0.00 0.00 29.99 27.57 3ck6 n HIS 125 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ck6 n LYS 126 N -3.40 0.57 -1.15 -0.41 5.02 0.93 -5.00 118.16 114.73 3ck6 n LYS 126 Ca -0.14 -1.78 -0.11 0.00 -2.02 0.00 0.00 58.31 54.26 3ck6 n LYS 126 Cb 0.63 -0.91 0.07 0.00 -0.02 0.00 0.00 35.03 34.79 3ck6 n LYS 126 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ck6 n GLY 127 N -0.59 -0.20 3.56 0.72 0.00 -1.04 -4.73 105.19 102.91 3ck6 n GLY 127 Ca 0.07 -1.85 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 3ck6 n GLY 127 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ck6 n PRO 128 N -1.97 0.87 -0.20 1.61 -0.04 -1.26 -4.92 135.00 129.09 3ck6 n PRO 128 Ca 0.07 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 3ck6 n PRO 128 Cb 0.25 -1.95 0.22 0.00 -0.04 0.00 0.00 33.50 31.98 3ck6 n PRO 128 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ck6 n LYS 129 N -0.31 2.52 -3.59 0.54 5.02 -1.26 -4.65 118.16 116.44 3ck6 n LYS 129 Ca 0.12 -2.31 -0.07 0.00 -2.02 0.00 0.00 58.31 54.02 3ck6 n LYS 129 Cb 0.45 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.92 3ck6 n LYS 129 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ck6 s SER 130 N -1.47 -0.34 0.27 4.39 1.04 -1.26 -4.38 113.70 111.95 3ck6 s SER 130 Ca 0.39 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.67 3ck6 s SER 130 Cb 0.23 0.47 0.38 0.00 0.10 0.00 0.00 66.02 67.20 3ck6 s SER 130 CO 0.32 -0.80 1.75 -0.07 0.98 0.00 0.00 173.24 175.41 3ck6 h LEU 131 N 2.00 0.63 -0.53 2.42 3.38 -1.89 0.08 115.31 121.40 3ck6 h LEU 131 Ca -0.24 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.60 3ck6 h LEU 131 Cb 1.25 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 3ck6 h LEU 131 CO 0.30 0.77 0.27 0.00 0.09 0.00 0.00 178.44 179.87 3ck6 h ALA 132 N 1.29 0.69 -0.38 1.53 0.00 -1.95 -1.49 119.26 118.96 3ck6 h ALA 132 Ca 0.10 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 3ck6 h ALA 132 Cb 0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3ck6 h ALA 132 CO 0.03 -0.08 -0.39 1.03 0.00 0.00 0.00 179.25 179.84 3ck6 h SER 133 N 0.51 0.98 -0.24 0.00 0.87 -1.82 -2.67 113.55 111.19 3ck6 h SER 133 Ca 0.24 -0.45 0.05 0.00 -1.23 0.00 0.00 61.79 60.40 3ck6 h SER 133 Cb 0.16 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 61.79 3ck6 h SER 133 CO -0.17 1.24 -0.10 0.25 -0.53 0.00 0.00 176.83 177.52 3ck6 h LEU 134 N 0.75 -0.34 -0.64 2.23 5.85 -0.69 -0.65 115.31 121.81 3ck6 h LEU 134 Ca 0.06 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 3ck6 h LEU 134 Cb 0.98 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3ck6 h LEU 134 CO 0.10 -0.13 -0.07 0.25 -0.34 0.00 0.00 178.44 178.25 3ck6 h LEU 135 N -0.06 0.98 -0.59 2.25 5.85 -1.26 -0.84 115.31 121.64 3ck6 h LEU 135 Ca 0.13 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.61 3ck6 h LEU 135 Cb 0.25 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3ck6 h LEU 135 CO -0.29 1.07 0.29 -1.13 -0.34 0.00 0.00 178.44 178.05 3ck6 h ASN 136 N 0.90 0.40 -0.12 1.25 -0.00 -1.26 -1.63 115.58 115.11 3ck6 h ASN 136 Ca 0.15 0.04 -0.10 0.00 -0.00 0.00 0.00 56.30 56.39 3ck6 h ASN 136 Cb 0.61 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.89 3ck6 h ASN 136 CO 0.04 0.26 -0.24 1.56 -0.00 0.00 0.00 177.43 179.05 3ck6 h GLN 137 N 0.54 0.57 0.05 6.67 4.20 -0.59 -0.61 115.11 125.94 3ck6 h GLN 137 Ca 0.27 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3ck6 h GLN 137 Cb 0.22 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3ck6 h GLN 137 CO -0.20 0.77 -0.02 0.82 -0.67 0.00 0.00 178.83 179.52 3ck6 h ILE 138 N 0.50 0.99 0.27 2.54 2.04 -0.81 0.34 117.51 123.38 3ck6 h ILE 138 Ca 0.07 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3ck6 h ILE 138 Cb 0.69 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3ck6 h ILE 138 CO 0.05 0.03 -0.17 0.40 0.00 0.00 0.00 178.15 178.46 3ck6 h ILE 139 N -0.12 0.63 -0.27 -0.67 2.04 -1.15 -1.13 117.51 116.83 3ck6 h ILE 139 Ca -0.01 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 3ck6 h ILE 139 Cb 0.10 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3ck6 h ILE 139 CO 0.01 0.00 -0.17 -0.33 0.00 0.00 0.00 178.15 177.66 3ck6 h GLU 140 N -0.43 0.48 -0.20 2.37 4.39 -1.11 -1.88 114.58 118.19 3ck6 h GLU 140 Ca -0.02 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.52 3ck6 h GLU 140 Cb 0.36 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 3ck6 h GLU 140 CO 0.02 0.64 0.11 0.78 -1.16 0.00 0.00 179.01 179.40 3ck6 h GLY 141 N 0.95 0.30 0.86 -3.84 0.00 -0.06 0.38 103.07 101.66 3ck6 h GLY 141 Ca 0.08 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.30 3ck6 h GLY 141 CO 0.04 0.13 0.33 1.41 0.00 0.00 0.00 176.54 178.44 3ck6 h LEU 142 N 0.23 0.52 0.01 3.11 3.38 -1.04 -1.83 115.31 119.69 3ck6 h LEU 142 Ca 0.07 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3ck6 h LEU 142 Cb 0.05 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3ck6 h LEU 142 CO -0.01 0.37 -0.26 0.78 0.09 0.00 0.00 178.44 179.40 3ck6 h ASN 143 N 0.64 -0.78 -0.66 -0.43 2.35 -1.17 -2.06 115.58 113.48 3ck6 h ASN 143 Ca 0.22 0.10 0.14 0.00 -0.55 0.00 0.00 56.30 56.21 3ck6 h ASN 143 Cb 0.03 0.31 -0.10 0.00 0.05 0.00 0.00 38.32 38.62 3ck6 h ASN 143 CO -0.10 -0.33 0.11 1.23 -1.65 0.00 0.00 177.43 176.68 3ck6 h GLY 144 N -0.41 0.83 1.77 2.83 0.00 -0.62 0.39 103.07 107.85 3ck6 h GLY 144 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 3ck6 h GLY 144 CO -0.22 -0.17 -0.46 0.50 0.00 0.00 0.00 176.54 176.19 3ck6 h LYS 145 N 0.22 0.25 -0.33 4.80 1.79 -1.23 -1.88 116.57 120.18 3ck6 h LYS 145 Ca 0.36 -0.13 -0.04 0.00 -2.18 0.00 0.00 60.65 58.66 3ck6 h LYS 145 Cb 0.58 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 3ck6 h LYS 145 CO -0.48 0.66 0.06 0.82 -1.08 0.00 0.00 179.45 179.43 3ck6 h ILE 146 N 0.20 1.23 -0.54 1.86 2.04 -0.62 -1.92 117.51 119.77 3ck6 h ILE 146 Ca 0.01 -0.80 0.10 0.00 1.00 0.00 0.00 64.86 65.17 3ck6 h ILE 146 Cb 0.89 1.12 -0.08 0.00 -0.74 0.00 0.00 36.82 38.01 3ck6 h ILE 146 CO 0.07 0.27 0.10 0.44 0.00 0.00 0.00 178.15 179.03 3ck6 h ASP 147 N 0.38 -0.03 -0.70 1.72 3.32 -0.79 0.91 116.42 121.23 3ck6 h ASP 147 Ca 0.10 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3ck6 h ASP 147 Cb 0.33 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3ck6 h ASP 147 CO 0.00 0.01 0.44 -0.07 -1.72 0.00 0.00 179.24 177.91 3ck6 h LEU 148 N 0.23 0.82 -0.36 1.55 3.38 -1.12 -1.42 115.31 118.38 3ck6 h LEU 148 Ca 0.28 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3ck6 h LEU 148 Cb 0.40 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3ck6 h LEU 148 CO -0.37 0.61 0.12 0.22 0.09 0.00 0.00 178.44 179.11 3ck6 h TYR 149 N 0.95 0.57 -0.57 1.13 3.20 -0.80 -2.83 116.97 118.63 3ck6 h TYR 149 Ca 0.25 -0.05 0.10 0.00 3.14 0.00 0.00 58.73 62.17 3ck6 h TYR 149 Cb -0.07 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.00 3ck6 h TYR 149 CO -0.02 0.55 0.38 -0.07 -1.64 0.00 0.00 178.16 177.36 3ck6 h LEU 150 N 0.43 0.32 -1.24 2.82 3.38 -0.31 0.29 115.31 121.01 3ck6 h LEU 150 Ca 0.12 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3ck6 h LEU 150 Cb 0.24 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3ck6 h LEU 150 CO -0.01 0.19 0.53 0.44 0.09 0.00 0.00 178.44 179.69 3ck6 h ASP 151 N 0.36 0.84 0.21 -0.43 3.32 -1.02 0.51 116.42 120.21 3ck6 h ASP 151 Ca 0.26 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 3ck6 h ASP 151 Cb 0.56 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3ck6 h ASP 151 CO -0.07 0.57 -0.42 0.71 -1.72 0.00 0.00 179.24 178.31 3ck6 h THR 152 N 0.97 1.31 -0.17 0.35 1.35 -0.91 -1.72 112.91 114.09 3ck6 h THR 152 Ca 0.33 -1.55 -0.13 0.00 -0.55 0.00 0.00 66.41 64.51 3ck6 h THR 152 Cb 0.09 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3ck6 h THR 152 CO -0.10 0.47 -0.40 0.40 -0.25 0.00 0.00 175.52 175.63 3ck6 h ILE 153 N 0.23 1.34 -0.75 6.82 2.04 -1.03 -2.91 117.51 123.25 3ck6 h ILE 153 Ca 0.02 -1.66 0.12 0.00 1.00 0.00 0.00 64.86 64.35 3ck6 h ILE 153 Cb 0.84 1.97 -0.09 0.00 -0.74 0.00 0.00 36.82 38.80 3ck6 h ILE 153 CO 0.07 0.51 0.34 -0.08 0.00 0.00 0.00 178.15 178.98 3ck6 h GLU 154 N 0.21 0.51 -0.56 2.37 4.81 -0.74 -0.93 114.58 120.25 3ck6 h GLU 154 Ca -0.00 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.28 3ck6 h GLU 154 Cb 1.01 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.20 3ck6 h GLU 154 CO 0.09 0.34 0.20 0.93 -0.73 0.00 0.00 179.01 179.83 3ck6 h GLU 155 N 0.53 0.36 -0.07 1.92 5.08 -1.25 0.13 114.58 121.28 3ck6 h GLU 155 Ca 0.39 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.74 3ck6 h GLU 155 Cb 0.52 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3ck6 h GLU 155 CO -0.34 0.24 0.01 1.15 -1.00 0.00 0.00 179.01 179.07 3ck6 h THR 156 N 0.37 0.97 0.09 1.13 2.02 -1.14 -2.99 112.91 113.36 3ck6 h THR 156 Ca 0.28 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.44 3ck6 h THR 156 Cb 0.34 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3ck6 h THR 156 CO -0.29 0.01 -0.04 -0.07 0.37 0.00 0.00 175.52 175.50 3ck6 h LEU 157 N 0.04 -0.10 -2.57 2.58 4.07 -0.55 -2.59 115.31 116.21 3ck6 h LEU 157 Ca 0.03 -0.08 0.01 0.00 0.08 0.00 0.00 57.88 57.93 3ck6 h LEU 157 Cb 0.03 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 41.79 3ck6 h LEU 157 CO -0.05 0.02 0.11 0.78 -1.08 0.00 0.00 178.44 178.22 3ck6 h ASN 158 N -0.20 0.00 0.03 -0.43 2.35 -0.79 -1.04 115.58 115.50 3ck6 h ASN 158 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3ck6 h ASN 158 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3ck6 h ASN 158 CO 0.02 0.00 -0.10 -0.62 -1.65 0.00 0.00 177.43 175.08 3ck6 n GLU 159 N -3.32 1.64 -1.68 0.81 1.02 -0.98 -4.91 120.64 113.22 3ck6 n GLU 159 Ca -0.02 -1.14 -0.45 0.00 -0.02 0.00 0.00 57.16 55.54 3ck6 n GLU 159 Cb 0.18 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 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 0.31 2.47 -3.66 -0.32 3.72 -0.40 -4.85 117.46 114.73 3ck6 n PHE 160 Ca 0.15 -0.06 -0.23 0.00 -0.05 0.00 0.00 57.45 57.26 3ck6 n PHE 160 Cb 0.43 -2.69 -0.17 0.00 -0.94 0.00 0.00 39.48 36.11 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 2.94 1.78 0.59 4.37 2.15 -1.26 -5.04 116.67 122.20 3ck6 s ASP 161 Ca 0.85 -0.27 0.33 0.00 0.43 0.00 0.00 52.55 53.89 3ck6 s ASP 161 Cb -0.57 -0.25 1.87 0.00 -0.30 0.00 0.00 42.92 43.67 3ck6 s ASP 161 CO 0.42 -0.29 2.23 1.62 -0.17 0.00 0.00 175.17 178.98 3ck6 h VAL 162 N 6.43 0.39 -0.24 1.11 3.04 -1.96 -1.49 116.25 123.52 3ck6 h VAL 162 Ca -0.14 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 3ck6 h VAL 162 Cb 1.13 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 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 -3.58 2.39 -3.73 3.17 3.02 -1.26 -4.67 115.26 110.60 3ck6 n ASN 163 Ca -0.03 -1.83 -0.30 0.00 -0.03 0.00 0.00 54.58 52.40 3ck6 n ASN 163 Cb 0.13 -0.15 -0.14 0.00 -0.61 0.00 0.00 39.78 39.01 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 -1.57 3.86 0.60 6.41 -1.08 -0.56 -4.99 116.67 119.34 3ck6 s ASP 164 Ca 0.34 -2.13 0.30 0.00 -0.52 0.00 0.00 52.55 50.54 3ck6 s ASP 164 Cb 0.20 -0.96 1.73 0.00 -1.46 0.00 0.00 42.92 42.42 3ck6 s ASP 164 CO 0.28 -0.34 2.13 -0.33 0.52 0.00 0.00 175.17 177.43 3ck6 h GLU 165 N 7.41 0.00 0.00 4.34 5.08 -1.83 -0.58 114.58 128.99 3ck6 h GLU 165 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ck6 h GLU 165 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3ck6 h GLU 165 CO 0.47 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.14 3ck6 h SER 166 N 0.00 0.00 -0.14 1.42 4.64 -1.94 -2.64 113.55 114.90 3ck6 h SER 166 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3ck6 h SER 166 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3ck6 h SER 166 CO -0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 3ck6 n THR 167 N -2.89 0.16 -1.33 2.95 -2.24 -0.23 -4.74 114.28 105.97 3ck6 n THR 167 Ca -0.01 -0.38 -0.39 0.00 -2.27 0.00 0.00 64.05 61.00 3ck6 n THR 167 Cb 0.15 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.51 2.45 -0.94 4.78 4.02 -1.00 -4.55 117.16 122.43 3ck6 n TYR 168 Ca 0.17 -3.09 -0.07 0.00 -0.01 0.00 0.00 57.90 54.90 3ck6 n TYR 168 Cb 0.39 -2.50 0.29 0.00 -0.02 0.00 0.00 39.34 37.51 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 3.64 4.70 0.19 7.72 3.02 -1.26 -4.54 115.26 128.72 3ck6 n ASN 169 Ca 0.78 -3.17 0.07 0.00 -0.03 0.00 0.00 54.58 52.22 3ck6 n ASN 169 Cb 0.23 -0.74 0.27 0.00 -0.61 0.00 0.00 39.78 38.93 3ck6 n ASN 169 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 3ck6 h HIS 170 N 2.51 0.00 -0.22 3.10 2.07 -1.96 -1.95 115.15 118.70 3ck6 h HIS 170 Ca 0.27 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.72 3ck6 h HIS 170 Cb 2.30 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 32.28 3ck6 h HIS 170 CO 1.26 0.34 -0.14 0.82 -3.07 0.00 0.00 177.93 177.13 3ck6 h ILE 171 N 0.00 1.31 -0.62 6.12 1.08 -1.99 -1.78 117.51 121.64 3ck6 h ILE 171 Ca -0.00 -1.25 -0.01 0.00 -0.39 0.00 0.00 64.86 63.20 3ck6 h ILE 171 Cb 1.01 1.66 -0.03 0.00 -3.07 0.00 0.00 36.82 36.39 3ck6 h ILE 171 CO 0.04 0.38 0.35 0.00 -0.69 0.00 0.00 178.15 178.24 3ck6 h ALA 172 N 0.69 0.80 -0.39 1.87 0.00 -1.86 -2.19 119.26 118.18 3ck6 h ALA 172 Ca 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3ck6 h ALA 172 Cb 0.66 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3ck6 h ALA 172 CO 0.04 0.31 0.11 0.00 0.00 0.00 0.00 179.25 179.71 3ck6 h ALA 173 N 1.17 0.52 -0.68 0.00 0.00 -1.31 -2.04 119.26 116.91 3ck6 h ALA 173 Ca 0.22 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3ck6 h ALA 173 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3ck6 h ALA 173 CO -0.04 0.18 0.12 0.37 0.00 0.00 0.00 179.25 179.88 3ck6 h GLN 174 N 0.49 1.12 -0.63 0.00 4.15 -1.23 -0.15 115.11 118.86 3ck6 h GLN 174 Ca 0.12 -0.30 0.04 0.00 0.77 0.00 0.00 58.65 59.29 3ck6 h GLN 174 Cb 0.28 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.79 3ck6 h GLN 174 CO -0.00 1.02 0.36 -0.22 -1.93 0.00 0.00 178.83 178.05 3ck6 h LYS 175 N 1.05 0.66 -0.40 1.69 1.63 -1.30 0.07 116.57 119.98 3ck6 h LYS 175 Ca 0.21 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.96 3ck6 h LYS 175 Cb 0.43 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 3ck6 h LYS 175 CO 0.01 0.44 0.20 0.00 -3.45 0.00 0.00 179.45 176.65 3ck6 h ALA 176 N 1.31 0.52 -0.15 5.00 0.00 -0.88 -2.28 119.26 122.78 3ck6 h ALA 176 Ca 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3ck6 h ALA 176 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ck6 h ALA 176 CO -0.15 0.07 0.02 -0.07 0.00 0.00 0.00 179.25 179.12 3ck6 h LEU 177 N 0.51 0.24 -1.13 0.00 3.38 -0.68 -1.82 115.31 115.81 3ck6 h LEU 177 Ca 0.14 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3ck6 h LEU 177 Cb 0.10 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3ck6 h LEU 177 CO -0.02 0.44 -0.13 0.16 0.09 0.00 0.00 178.44 178.99 3ck6 h ILE 178 N 0.03 1.23 -0.51 1.22 3.07 -1.00 0.44 117.51 121.99 3ck6 h ILE 178 Ca 0.05 -1.00 0.00 0.00 1.55 0.00 0.00 64.86 65.46 3ck6 h ILE 178 Cb 0.30 1.16 -0.02 0.00 -0.27 0.00 0.00 36.82 37.99 3ck6 h ILE 178 CO 0.00 0.32 0.33 0.28 -1.05 0.00 0.00 178.15 178.04 3ck6 h SER 179 N 0.43 0.59 -0.25 2.16 0.02 -1.30 -1.86 113.55 113.33 3ck6 h SER 179 Ca 0.08 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3ck6 h SER 179 Cb 0.48 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3ck6 h SER 179 CO 0.03 0.43 0.03 0.40 -1.14 0.00 0.00 176.83 176.59 3ck6 h ILE 180 N 0.68 1.23 -0.59 3.27 1.08 -0.97 -3.25 117.51 118.97 3ck6 h ILE 180 Ca 0.18 -0.80 -0.01 0.00 -0.39 0.00 0.00 64.86 63.85 3ck6 h ILE 180 Cb -0.07 1.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 3ck6 h ILE 180 CO -0.04 0.25 0.32 0.50 -0.69 0.00 0.00 178.15 178.50 3ck6 h LYS 181 N 0.23 0.81 -1.05 2.37 3.64 -0.74 -0.31 116.57 121.52 3ck6 h LYS 181 Ca 0.08 -0.08 0.28 0.00 -1.27 0.00 0.00 60.65 59.66 3ck6 h LYS 181 Cb 0.34 -0.17 -0.12 0.00 -0.41 0.00 0.00 32.23 31.88 3ck6 h LYS 181 CO 0.01 0.60 0.64 -0.09 -2.27 0.00 0.00 179.45 178.33 3ck6 h ARG 182 N 0.82 0.41 0.00 1.90 2.43 -1.37 -2.50 114.38 116.07 3ck6 h ARG 182 Ca 0.21 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 59.15 3ck6 h ARG 182 Cb 0.02 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 3ck6 h ARG 182 CO -0.03 0.27 -1.97 1.19 -1.51 0.00 0.00 179.97 177.91 3ck6 n PHE 183 N -4.81 0.00 0.09 2.20 3.72 -0.82 -4.53 117.46 113.31 3ck6 n PHE 183 Ca 0.28 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.60 3ck6 n PHE 183 Cb 0.90 -0.66 -0.01 0.00 -0.94 0.00 0.00 39.48 38.77 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 1.52 0.52 4.37 2.04 -0.78 -1.66 117.51 123.51 3ck6 h ILE 184 Ca -0.31 -2.68 -0.02 0.00 1.00 0.00 0.00 64.86 62.85 3ck6 h ILE 184 Cb 1.63 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 40.20 3ck6 h ILE 184 CO 0.02 0.78 -0.37 -0.09 0.00 0.00 0.00 178.15 178.49 3ck6 h ARG 185 N 0.08 -0.82 -0.71 2.37 2.43 -1.71 -2.31 114.38 113.71 3ck6 h ARG 185 Ca -0.04 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.31 3ck6 h ARG 185 Cb 1.51 0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 31.20 3ck6 h ARG 185 CO 0.13 -0.55 0.47 -1.35 -1.51 0.00 0.00 179.97 177.16 3ck6 h PRO 186 N -0.86 0.46 -0.90 0.20 0.11 -1.78 -2.28 132.00 126.96 3ck6 h PRO 186 Ca -0.06 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 3ck6 h PRO 186 Cb 0.72 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.68 3ck6 h PRO 186 CO 0.03 0.31 0.55 0.37 -0.21 0.00 0.00 178.00 179.05 3ck6 h GLN 187 N 0.48 1.21 -0.32 1.05 4.15 -1.06 0.57 115.11 121.19 3ck6 h GLN 187 Ca 0.34 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.69 3ck6 h GLN 187 Cb 0.67 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 3ck6 h GLN 187 CO -0.11 0.84 0.13 0.37 -1.93 0.00 0.00 178.83 178.13 3ck6 h GLN 188 N 1.23 0.28 -0.26 1.69 4.15 -0.85 -1.61 115.11 119.75 3ck6 h GLN 188 Ca 0.32 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.63 3ck6 h GLN 188 Cb -0.07 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3ck6 h GLN 188 CO -0.06 0.19 -0.23 1.88 -1.93 0.00 0.00 178.83 178.67 3ck6 h TYR 189 N 0.29 0.54 -0.46 3.99 0.99 -1.26 -1.49 116.97 119.57 3ck6 h TYR 189 Ca 0.14 -0.11 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 3ck6 h TYR 189 Cb 0.08 -0.13 -0.02 0.00 1.00 0.00 0.00 36.73 37.66 3ck6 h TYR 189 CO -0.12 0.69 0.16 0.00 -0.00 0.00 0.00 178.16 178.89 3ck6 h ALA 190 N 1.32 0.61 -0.50 3.88 0.00 -0.66 0.54 119.26 124.44 3ck6 h ALA 190 Ca 0.07 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3ck6 h ALA 190 Cb 0.65 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3ck6 h ALA 190 CO 0.05 0.25 -0.07 0.82 0.00 0.00 0.00 179.25 180.30 3ck6 h ILE 191 N 0.61 1.27 -0.26 0.00 2.04 -1.19 0.12 117.51 120.10 3ck6 h ILE 191 Ca 0.15 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 64.86 3ck6 h ILE 191 Cb 0.25 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3ck6 h ILE 191 CO -0.01 0.41 0.06 -0.09 0.00 0.00 0.00 178.15 178.53 3ck6 h ARG 192 N 0.79 0.16 -0.67 2.37 2.43 -1.05 -1.33 114.38 117.08 3ck6 h ARG 192 Ca 0.13 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3ck6 h ARG 192 Cb 0.61 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 3ck6 h ARG 192 CO 0.04 0.11 0.36 -0.44 -1.51 0.00 0.00 179.97 178.53 3ck6 h ASP 193 N 0.17 0.85 -0.46 -3.80 3.32 -0.62 -0.08 116.42 115.81 3ck6 h ASP 193 Ca 0.12 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.11 3ck6 h ASP 193 Cb 0.11 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 3ck6 h ASP 193 CO -0.15 0.70 0.23 0.25 -1.72 0.00 0.00 179.24 178.56 3ck6 h LEU 194 N 0.92 0.34 -0.41 1.55 5.85 -0.55 -2.51 115.31 120.50 3ck6 h LEU 194 Ca 0.24 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3ck6 h LEU 194 Cb 0.05 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3ck6 h LEU 194 CO -0.04 0.24 0.18 0.40 -0.34 0.00 0.00 178.44 178.88 3ck6 h ILE 195 N 0.46 1.19 0.00 4.05 2.04 -0.50 -2.86 117.51 121.89 3ck6 h ILE 195 Ca 0.20 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3ck6 h ILE 195 Cb 0.10 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3ck6 h ILE 195 CO -0.14 0.21 0.00 -0.62 0.00 0.00 0.00 178.15 177.60 3ck6 n GLU 196 N -4.66 0.12 0.24 2.37 -0.58 -0.11 -2.60 120.64 115.43 3ck6 n GLU 196 Ca 0.00 0.35 0.12 0.00 -0.42 0.00 0.00 57.16 57.21 3ck6 n GLU 196 Cb 0.13 -1.73 0.58 0.00 -0.57 0.00 0.00 31.44 29.85 3ck6 n GLU 196 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3ck6 h SER 197 N 0.00 0.00 -1.80 1.62 4.64 -1.21 -3.47 113.55 113.34 3ck6 h SER 197 Ca 0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 3ck6 h SER 197 Cb 0.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 3ck6 h SER 197 CO 0.00 0.16 -0.34 -0.62 -0.87 0.00 0.00 176.83 175.16 3ck6 n GLU 198 N -3.41 -1.08 -1.72 4.77 -0.58 -1.07 -4.97 120.64 112.58 3ck6 n GLU 198 Ca -0.00 0.71 -0.41 0.00 -0.42 0.00 0.00 57.16 57.03 3ck6 n GLU 198 Cb 0.35 -4.95 0.00 0.00 -0.57 0.00 0.00 31.44 26.27 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 -0.58 2.96 -0.11 1.62 2.88 -1.26 -4.72 113.62 114.40 3ck6 n SER 199 Ca -0.16 1.17 0.21 0.00 -1.33 0.00 0.00 58.87 58.76 3ck6 n SER 199 Cb 0.60 -1.53 0.63 0.00 -0.75 0.00 0.00 64.21 63.17 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 2.46 0.15 0.00 -1.46 4.11 -1.93 0.29 114.58 118.19 3ck6 h GLU 200 Ca -0.48 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 58.92 3ck6 h GLU 200 Cb 1.28 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3ck6 h GLU 200 CO 0.62 0.10 -0.09 -0.07 0.07 0.00 0.00 179.01 179.63 3ck6 h LEU 201 N 0.15 0.00 0.02 3.06 3.38 -1.96 -2.75 115.31 117.21 3ck6 h LEU 201 Ca 0.34 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.93 3ck6 h LEU 201 Cb 1.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 3ck6 h LEU 201 CO -0.05 0.09 -2.24 0.52 0.09 0.00 0.00 178.44 176.85 3ck6 n VAL 202 N -3.35 1.57 0.29 1.22 0.31 0.79 -4.41 118.33 114.75 3ck6 n VAL 202 Ca -0.01 -0.46 0.17 0.00 -0.01 0.00 0.00 64.34 64.03 3ck6 n VAL 202 Cb 0.28 -1.70 0.83 0.00 -0.91 0.00 0.00 33.84 32.34 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 -0.41 0.17 0.00 2.52 1.35 -0.95 -0.99 112.91 114.60 3ck6 h THR 203 Ca -0.56 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3ck6 h THR 203 Cb 1.77 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 3ck6 h THR 203 CO -0.17 0.04 0.00 -1.54 -0.25 0.00 0.00 175.52 173.60 3ck6 n SER 204 N -3.24 0.83 -3.05 5.36 3.41 -1.04 -4.02 113.62 111.87 3ck6 n SER 204 Ca -0.01 0.58 -0.18 0.00 -0.26 0.00 0.00 58.87 59.00 3ck6 n SER 204 Cb 0.23 -0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 63.36 3ck6 n SER 204 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ck6 n ARG 205 N -2.28 1.41 -0.21 4.33 1.74 -0.41 -5.01 116.66 116.23 3ck6 n ARG 205 Ca 0.05 -3.62 -0.09 0.00 -0.77 0.00 0.00 57.85 53.43 3ck6 n ARG 205 Cb 0.43 -1.74 0.02 0.00 -1.02 0.00 0.00 32.46 30.16 3ck6 n ARG 205 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3ck6 h PRO 206 N 2.98 0.97 -0.03 5.56 0.13 -1.59 -2.56 132.00 137.46 3ck6 h PRO 206 Ca 0.08 -0.26 -0.21 0.00 -0.87 0.00 0.00 66.00 64.74 3ck6 h PRO 206 Cb 0.93 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3ck6 h PRO 206 CO 0.56 0.92 -0.87 0.45 -0.23 0.00 0.00 178.00 178.83 3ck6 h HIS 207 N 0.87 0.62 -0.40 1.56 3.86 -1.95 -2.80 115.15 116.91 3ck6 h HIS 207 Ca 0.18 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3ck6 h HIS 207 Cb 0.42 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 3ck6 h HIS 207 CO 0.03 1.12 0.26 1.96 0.86 0.00 0.00 177.93 182.16 3ck6 h GLN 208 N 0.26 0.53 -0.36 2.45 7.50 -1.93 -1.10 115.11 122.47 3ck6 h GLN 208 Ca -0.06 -0.03 -0.07 0.00 0.50 0.00 0.00 58.65 58.98 3ck6 h GLN 208 Cb 1.49 -0.12 -0.02 0.00 0.05 0.00 0.00 27.48 28.88 3ck6 h GLN 208 CO 0.15 0.36 -0.08 1.88 -1.50 0.00 0.00 178.83 179.64 3ck6 h TYR 209 N 0.54 0.64 -0.73 2.96 -1.99 -1.46 -1.58 116.97 115.35 3ck6 h TYR 209 Ca 0.15 -0.09 -0.06 0.00 2.00 0.00 0.00 58.73 60.72 3ck6 h TYR 209 Cb -0.05 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 38.47 3ck6 h TYR 209 CO -0.05 0.66 0.22 0.00 -0.00 0.00 0.00 178.16 179.00 3ck6 h ARG 210 N 0.56 1.13 -0.83 4.88 -0.00 -1.21 -0.50 114.38 118.41 3ck6 h ARG 210 Ca 0.11 -0.24 0.05 0.00 -0.50 0.00 0.00 59.98 59.39 3ck6 h ARG 210 Cb 0.47 -0.16 -0.06 0.00 0.00 0.00 0.00 29.97 30.23 3ck6 h ARG 210 CO 0.03 0.96 0.52 0.74 0.00 0.00 0.00 179.97 182.22 3ck6 h PHE 211 N 1.08 0.96 -0.61 3.04 0.04 -0.88 0.16 116.94 120.74 3ck6 h PHE 211 Ca 0.23 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 61.00 3ck6 h PHE 211 Cb 0.31 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 3ck6 h PHE 211 CO 0.03 0.52 0.25 0.00 -0.60 0.00 0.00 178.31 178.50 3ck6 h ALA 212 N 1.37 0.79 -0.56 2.45 0.00 -0.87 -0.05 119.26 122.40 3ck6 h ALA 212 Ca 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ck6 h ALA 212 Cb 0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3ck6 h ALA 212 CO -0.15 0.40 0.33 1.25 0.00 0.00 0.00 179.25 181.08 3ck6 h HIS 213 N 0.85 0.75 -0.80 0.00 -0.00 -0.88 -2.01 115.15 113.06 3ck6 h HIS 213 Ca 0.20 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.58 3ck6 h HIS 213 Cb 0.20 -0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 27.32 3ck6 h HIS 213 CO 0.01 0.53 0.53 -0.97 -0.00 0.00 0.00 177.93 178.03 3ck6 h ASN 214 N 0.75 0.91 -0.56 3.26 -1.24 -0.71 -1.62 115.58 116.36 3ck6 h ASN 214 Ca 0.20 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.19 3ck6 h ASN 214 Cb 0.01 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.81 3ck6 h ASN 214 CO -0.04 0.66 0.36 0.78 -1.29 0.00 0.00 177.43 177.90 3ck6 h ASN 215 N 1.07 0.65 -0.22 1.15 2.35 -0.76 0.05 115.58 119.88 3ck6 h ASN 215 Ca 0.29 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.90 3ck6 h ASN 215 Cb -0.11 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 3ck6 h ASN 215 CO -0.07 0.49 -0.26 -0.29 -1.65 0.00 0.00 177.43 175.65 3ck6 h ILE 216 N 0.76 1.27 -0.18 2.81 6.09 -1.19 -1.11 117.51 125.97 3ck6 h ILE 216 Ca 0.20 -1.37 -0.00 0.00 -1.37 0.00 0.00 64.86 62.33 3ck6 h ILE 216 Cb -0.07 1.29 -0.01 0.00 0.47 0.00 0.00 36.82 38.50 3ck6 h ILE 216 CO -0.04 0.45 0.10 0.74 -3.07 0.00 0.00 178.15 176.33 3ck6 h THR 217 N 0.61 1.09 -0.53 2.19 2.02 -1.12 -1.33 112.91 115.84 3ck6 h THR 217 Ca 0.08 -0.24 0.08 0.00 0.77 0.00 0.00 66.41 67.10 3ck6 h THR 217 Cb 0.76 0.92 -0.07 0.00 -1.74 0.00 0.00 68.15 68.02 3ck6 h THR 217 CO 0.06 0.09 0.17 -0.09 0.37 0.00 0.00 175.52 176.11 3ck6 h ARG 218 N 0.20 0.32 -0.28 6.66 2.43 -0.82 -1.40 114.38 121.50 3ck6 h ARG 218 Ca 0.06 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 3ck6 h ARG 218 Cb 0.05 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 3ck6 h ARG 218 CO -0.01 0.21 -0.12 0.82 -1.51 0.00 0.00 179.97 179.36 3ck6 h ILE 219 N 0.33 0.62 -0.69 1.20 2.04 -0.73 -0.32 117.51 119.96 3ck6 h ILE 219 Ca 0.26 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.16 3ck6 h ILE 219 Cb 0.32 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 3ck6 h ILE 219 CO -0.29 0.00 0.42 0.78 0.00 0.00 0.00 178.15 179.06 3ck6 h ASN 220 N -0.07 0.68 -0.52 1.72 2.35 -0.75 -0.63 115.58 118.37 3ck6 h ASN 220 Ca 0.14 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 3ck6 h ASN 220 Cb 0.29 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 3ck6 h ASN 220 CO -0.32 0.46 0.12 -0.33 -1.65 0.00 0.00 177.43 175.70 3ck6 h GLU 221 N 0.81 0.89 -0.35 0.81 5.08 -0.92 -2.28 114.58 118.63 3ck6 h GLU 221 Ca 0.29 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3ck6 h GLU 221 Cb 0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3ck6 h GLU 221 CO -0.13 0.81 0.07 1.15 -1.00 0.00 0.00 179.01 179.91 3ck6 h THR 222 N 0.85 1.23 -0.45 1.13 2.02 -0.43 -1.66 112.91 115.61 3ck6 h THR 222 Ca 0.18 -0.81 0.08 0.00 0.77 0.00 0.00 66.41 66.63 3ck6 h THR 222 Cb 0.34 1.10 -0.07 0.00 -1.74 0.00 0.00 68.15 67.78 3ck6 h THR 222 CO 0.00 0.27 0.06 0.40 0.37 0.00 0.00 175.52 176.62 3ck6 h ILE 223 N 0.41 0.72 -0.55 3.11 2.04 -1.01 0.11 117.51 122.34 3ck6 h ILE 223 Ca 0.11 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 3ck6 h ILE 223 Cb 0.34 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3ck6 h ILE 223 CO 0.00 0.03 0.21 -0.33 0.00 0.00 0.00 178.15 178.06 3ck6 h GLU 224 N 0.19 0.79 -0.18 2.37 4.39 -1.24 -0.14 114.58 120.76 3ck6 h GLU 224 Ca 0.22 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 3ck6 h GLU 224 Cb 0.30 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3ck6 h GLU 224 CO -0.32 0.66 0.01 0.35 -1.16 0.00 0.00 179.01 178.56 3ck6 h PHE 225 N 0.78 0.34 -0.73 4.33 3.57 -0.69 -1.25 116.94 123.30 3ck6 h PHE 225 Ca 0.19 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3ck6 h PHE 225 Cb 0.17 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 3ck6 h PHE 225 CO 0.01 0.51 0.33 1.88 -2.23 0.00 0.00 178.31 178.80 3ck6 h TYR 226 N 0.08 1.06 -0.42 0.41 0.05 -0.35 -0.00 116.97 117.80 3ck6 h TYR 226 Ca 0.05 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3ck6 h TYR 226 Cb 0.36 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 3ck6 h TYR 226 CO 0.03 0.79 0.13 -0.07 -1.05 0.00 0.00 178.16 177.98 3ck6 h LEU 227 N 1.05 0.56 -0.60 3.88 3.38 -0.94 -0.89 115.31 121.74 3ck6 h LEU 227 Ca 0.25 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 3ck6 h LEU 227 Cb 0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3ck6 h LEU 227 CO -0.03 0.54 -0.17 1.23 0.09 0.00 0.00 178.44 180.11 3ck6 h GLY 228 N 0.80 1.01 1.65 0.83 0.00 -0.07 -2.45 103.07 104.85 3ck6 h GLY 228 Ca 0.14 -0.85 -0.07 0.00 0.00 0.00 0.00 47.33 46.56 3ck6 h GLY 228 CO -0.01 0.77 -0.13 0.83 0.00 0.00 0.00 176.54 178.01 3ck6 h GLU 229 N 0.82 0.42 -0.22 4.80 5.08 -0.55 -2.36 114.58 122.58 3ck6 h GLU 229 Ca 0.12 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3ck6 h GLU 229 Cb 0.72 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3ck6 h GLU 229 CO 0.05 0.55 -0.16 0.28 -1.00 0.00 0.00 179.01 178.74 3ck6 h VAL 230 N 0.39 1.32 -0.96 3.13 2.07 -0.99 -1.94 116.25 119.27 3ck6 h VAL 230 Ca 0.07 -1.28 0.10 0.00 0.82 0.00 0.00 66.70 66.42 3ck6 h VAL 230 Cb 0.47 1.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.84 3ck6 h VAL 230 CO 0.03 0.39 0.62 0.00 0.02 0.00 0.00 177.57 178.62 3ck6 h ALA 231 N 0.68 1.54 -0.28 1.67 0.00 -1.42 -1.45 119.26 120.00 3ck6 h ALA 231 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 3ck6 h ALA 231 Cb 0.68 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ck6 h ALA 231 CO 0.04 0.25 -0.55 1.25 0.00 0.00 0.00 179.25 180.24 3ck6 h LEU 232 N 0.99 0.95 -1.29 0.00 5.85 -1.34 -2.04 115.31 118.43 3ck6 h LEU 232 Ca 0.45 -0.51 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 3ck6 h LEU 232 Cb 0.39 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3ck6 h LEU 232 CO -0.21 1.31 -0.13 0.15 -0.34 0.00 0.00 178.44 179.22 3ck6 h PHE 233 N 0.65 0.34 -0.79 1.25 3.57 -1.01 0.49 116.94 121.44 3ck6 h PHE 233 Ca 0.01 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 3ck6 h PHE 233 Cb 1.16 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 3ck6 h PHE 233 CO 0.07 0.45 0.33 1.96 -2.23 0.00 0.00 178.31 178.89 3ck6 h GLN 234 N 0.30 1.17 -0.64 1.11 4.20 -1.10 -1.40 115.11 118.75 3ck6 h GLN 234 Ca 0.06 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 3ck6 h GLN 234 Cb 0.42 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 3ck6 h GLN 234 CO 0.02 0.94 0.13 -0.44 -0.67 0.00 0.00 178.83 178.81 3ck6 h ASP 235 N 1.14 0.98 0.00 1.46 3.45 -0.81 -2.05 116.42 120.60 3ck6 h ASP 235 Ca 0.27 -0.21 0.02 0.00 0.43 0.00 0.00 57.03 57.53 3ck6 h ASP 235 Cb 0.19 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.68 3ck6 h ASP 235 CO -0.02 0.96 -0.09 -0.33 -1.57 0.00 0.00 179.24 178.19 3ck6 h GLU 236 N 0.98 -0.15 -0.00 3.56 5.08 -0.52 -1.93 114.58 121.60 3ck6 h GLU 236 Ca 0.20 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3ck6 h GLU 236 Cb 0.38 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3ck6 h GLU 236 CO 0.01 -0.10 -0.02 0.82 -1.00 0.00 0.00 179.01 178.72 3ck6 h ILE 237 N -0.16 0.95 -0.54 3.13 2.04 -1.25 -1.36 117.51 120.32 3ck6 h ILE 237 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3ck6 h ILE 237 Cb 0.20 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 3ck6 h ILE 237 CO -0.09 0.00 0.33 0.50 0.00 0.00 0.00 178.15 178.88 3ck6 h LYS 238 N -0.03 0.63 0.10 2.37 3.11 -1.31 -0.00 116.57 121.43 3ck6 h LYS 238 Ca 0.01 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 3ck6 h LYS 238 Cb 0.04 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.13 3ck6 h LYS 238 CO -0.02 0.42 -0.05 1.25 -2.81 0.00 0.00 179.45 178.24 3ck6 h HIS 239 N 0.65 -0.12 -0.60 1.91 2.76 -1.31 -2.95 115.15 115.48 3ck6 h HIS 239 Ca 0.22 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.46 3ck6 h HIS 239 Cb 0.02 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 28.98 3ck6 h HIS 239 CO -0.06 0.04 0.40 -0.97 -1.30 0.00 0.00 177.93 176.04 3ck6 h ASN 240 N -0.26 0.48 0.09 3.26 -0.73 -0.87 -1.63 115.58 115.93 3ck6 h ASN 240 Ca -0.01 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.16 3ck6 h ASN 240 Cb 0.21 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.71 3ck6 h ASN 240 CO 0.02 0.31 -0.04 -0.09 -0.37 0.00 0.00 177.43 177.25 3ck6 h ARG 241 N 0.54 -0.12 -0.26 6.67 2.43 -0.89 -2.95 114.38 119.81 3ck6 h ARG 241 Ca 0.27 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3ck6 h ARG 241 Cb 0.35 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3ck6 h ARG 241 CO -0.08 0.41 0.00 -0.40 -1.51 0.00 0.00 179.97 178.39 3ck6 n ASP 242 N -4.85 2.35 0.04 -3.80 5.68 -1.12 -3.64 116.55 111.20 3ck6 n ASP 242 Ca -0.08 -1.83 -0.18 0.00 -0.50 0.00 0.00 54.79 52.20 3ck6 n ASP 242 Cb 0.29 -0.17 -0.14 0.00 -1.14 0.00 0.00 41.12 39.96 3ck6 n ASP 242 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3ck6 h GLU 243 N 3.06 0.24 0.00 0.11 4.39 -1.38 -3.51 114.58 117.49 3ck6 h GLU 243 Ca 0.00 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.30 3ck6 h GLU 243 Cb 0.67 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3ck6 h GLU 243 CO 0.00 1.08 0.00 1.63 -1.16 0.00 0.00 179.01 180.56