#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek6 s LEU 4 N 0.00 4.30 0.25 -1.84 2.96 -1.26 -4.47 118.68 118.62 3ek6 s LEU 4 Ca 0.00 0.02 0.24 0.00 -0.22 0.00 0.00 54.13 54.17 3ek6 s LEU 4 Cb 0.00 -2.52 0.42 0.00 0.50 0.00 0.00 46.19 44.59 3ek6 s LEU 4 CO 0.00 -0.40 1.49 0.28 -1.32 0.00 0.00 176.35 176.40 3ek6 h SER 5 N 8.39 0.00 -3.26 3.68 0.02 -0.52 -3.44 113.55 118.42 3ek6 h SER 5 Ca -0.29 -0.05 -0.31 0.00 -0.84 0.00 0.00 61.79 60.30 3ek6 h SER 5 Cb 1.13 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.32 3ek6 h SER 5 CO 0.74 0.03 -0.67 -0.31 -1.14 0.00 0.00 176.83 175.47 3ek6 s TYR 6 N -3.19 -0.08 -0.13 3.45 2.02 -1.24 -5.02 117.35 113.16 3ek6 s TYR 6 Ca 0.07 0.43 0.16 0.00 -0.37 0.00 0.00 57.07 57.35 3ek6 s TYR 6 Cb 0.10 -0.29 -0.24 0.00 -0.40 0.00 0.00 41.96 41.13 3ek6 s TYR 6 CO 0.68 -0.21 0.34 -2.13 -1.57 0.00 0.00 175.55 172.66 3ek6 n ARG 7 N 4.98 0.66 -4.01 -0.62 0.00 -1.26 -4.82 116.66 111.60 3ek6 n ARG 7 Ca -0.11 0.13 -0.31 0.00 -0.00 0.00 0.00 57.85 57.57 3ek6 n ARG 7 Cb 0.50 -1.64 -0.16 0.00 0.00 0.00 0.00 32.46 31.16 3ek6 n ARG 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3ek6 s ARG 8 N -2.54 2.10 0.19 -0.14 3.52 -1.26 0.20 118.95 121.02 3ek6 s ARG 8 Ca -0.08 -0.85 0.08 0.00 -0.13 0.00 0.00 55.73 54.75 3ek6 s ARG 8 Cb 0.07 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.98 3ek6 s ARG 8 CO 0.83 -0.42 -0.16 0.96 -0.81 0.00 0.00 175.30 175.70 3ek6 s ILE 9 N 1.38 1.79 -0.17 4.11 -4.36 -0.07 -0.57 121.20 123.31 3ek6 s ILE 9 Ca -0.01 -2.09 0.01 0.00 -0.26 0.00 0.00 60.65 58.30 3ek6 s ILE 9 Cb -0.16 -1.96 0.03 0.00 1.25 0.00 0.00 42.46 41.62 3ek6 s ILE 9 CO -0.08 -0.47 -0.14 -0.22 0.24 0.00 0.00 174.94 174.26 3ek6 s LEU 10 N -3.05 1.97 -0.25 0.37 0.20 -0.75 -1.34 118.68 115.83 3ek6 s LEU 10 Ca 0.20 -0.65 -0.10 0.00 0.69 0.00 0.00 54.13 54.27 3ek6 s LEU 10 Cb -0.03 -1.26 -0.05 0.00 -0.43 0.00 0.00 46.19 44.42 3ek6 s LEU 10 CO 0.07 -0.07 0.16 -0.22 -0.29 0.00 0.00 176.35 176.00 3ek6 s LEU 11 N 1.42 4.04 -0.17 -0.68 2.96 0.42 -1.14 118.68 125.52 3ek6 s LEU 11 Ca 0.03 0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 3ek6 s LEU 11 Cb -0.14 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 3ek6 s LEU 11 CO -0.10 0.02 -0.03 -0.75 -1.32 0.00 0.00 176.35 174.16 3ek6 s LYS 12 N 1.33 3.61 0.16 1.98 2.36 0.49 -1.29 119.74 128.38 3ek6 s LYS 12 Ca 0.07 -0.54 0.09 0.00 -2.55 0.00 0.00 55.97 53.04 3ek6 s LYS 12 Cb -0.14 -2.94 -0.04 0.00 -1.05 0.00 0.00 37.83 33.65 3ek6 s LYS 12 CO 0.07 0.15 -0.18 -0.51 1.55 0.00 0.00 175.35 176.42 3ek6 s LEU 13 N 0.61 2.43 0.50 5.43 1.02 0.24 -1.37 118.68 127.54 3ek6 s LEU 13 Ca -0.02 -0.85 -0.08 0.00 0.02 0.00 0.00 54.13 53.19 3ek6 s LEU 13 Cb -0.14 -0.84 -0.04 0.00 0.02 0.00 0.00 46.19 45.19 3ek6 s LEU 13 CO 0.02 -0.03 0.86 -0.94 0.02 0.00 0.00 176.35 176.28 3ek6 s SER 14 N -2.61 6.32 0.31 2.29 1.04 -1.26 -1.06 113.70 118.73 3ek6 s SER 14 Ca 0.15 1.13 0.03 0.00 0.48 0.00 0.00 55.95 57.74 3ek6 s SER 14 Cb -0.06 -2.33 0.50 0.00 0.10 0.00 0.00 66.02 64.23 3ek6 s SER 14 CO 0.06 -0.62 1.79 1.23 0.98 0.00 0.00 173.24 176.69 3ek6 h GLY 15 N 0.32 0.54 1.03 7.32 0.00 -1.87 -1.86 103.07 108.54 3ek6 h GLY 15 Ca -0.46 -0.38 0.12 0.00 0.00 0.00 0.00 47.33 46.61 3ek6 h GLY 15 CO 0.62 0.35 0.37 0.83 0.00 0.00 0.00 176.54 178.71 3ek6 h GLU 16 N 0.46 0.00 0.00 4.80 4.39 -1.86 -1.47 114.58 120.89 3ek6 h GLU 16 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3ek6 h GLU 16 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3ek6 h GLU 16 CO 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.88 3ek6 h ALA 17 N 1.66 1.00 0.00 3.43 0.00 -1.72 -0.48 119.26 123.15 3ek6 h ALA 17 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ek6 h ALA 17 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3ek6 h ALA 17 CO -0.00 0.00 -0.85 1.28 0.00 0.00 0.00 179.25 179.68 3ek6 n LEU 18 N -2.68 0.76 0.09 0.00 4.77 -0.55 -4.48 117.00 114.90 3ek6 n LEU 18 Ca -0.02 -0.26 -0.05 0.00 -0.03 0.00 0.00 56.01 55.65 3ek6 n LEU 18 Cb 0.07 -0.10 0.11 0.00 -2.33 0.00 0.00 43.42 41.17 3ek6 n LEU 18 CO 0.16 0.18 0.46 0.24 -1.33 0.00 0.00 177.39 177.09 3ek6 h MET 19 N 0.00 0.23 0.00 3.23 2.86 -1.19 0.33 114.93 120.39 3ek6 h MET 19 Ca 0.00 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3ek6 h MET 19 Cb 0.54 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.23 3ek6 h MET 19 CO 0.00 0.78 0.00 0.41 1.06 0.00 0.00 176.91 179.16 3ek6 n GLY 20 N 0.32 2.08 0.31 8.32 0.00 -1.25 -2.62 105.19 112.34 3ek6 n GLY 20 Ca -0.02 -0.50 0.14 0.00 0.00 0.00 0.00 46.02 45.63 3ek6 n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ek6 n ASP 21 N 3.39 1.04 -4.42 1.61 8.00 -1.26 -4.92 116.55 119.98 3ek6 n ASP 21 Ca 0.00 -1.16 -0.29 0.00 0.71 0.00 0.00 54.79 54.05 3ek6 n ASP 21 Cb 0.00 0.02 0.20 0.00 -0.02 0.00 0.00 41.12 41.32 3ek6 n ASP 21 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3ek6 s GLY 22 N -2.18 1.56 0.00 0.44 0.00 -1.08 -4.99 107.32 101.08 3ek6 s GLY 22 Ca 0.35 -0.54 0.22 0.00 0.00 0.00 0.00 44.72 44.75 3ek6 s GLY 22 CO 0.40 0.17 0.91 1.22 0.00 0.00 0.00 173.10 175.80 3ek6 n ASP 23 N -4.42 0.76 -3.78 1.64 8.00 -1.26 -4.98 116.55 112.51 3ek6 n ASP 23 Ca 0.07 -0.69 -0.08 0.00 0.71 0.00 0.00 54.79 54.80 3ek6 n ASP 23 Cb 0.58 1.04 -0.02 0.00 -0.02 0.00 0.00 41.12 42.70 3ek6 n ASP 23 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3ek6 s TYR 24 N -3.10 -0.23 0.00 1.24 1.13 -1.26 -5.04 117.35 110.09 3ek6 s TYR 24 Ca 0.06 -0.17 0.00 0.00 -1.41 0.00 0.00 57.07 55.54 3ek6 s TYR 24 Cb 0.16 0.65 0.00 0.00 -1.10 0.00 0.00 41.96 41.67 3ek6 s TYR 24 CO 0.85 -1.15 0.00 0.41 -2.51 0.00 0.00 175.55 173.15 3ek6 n GLY 25 N -0.44 1.50 2.90 5.49 0.00 -0.12 -4.81 105.19 109.71 3ek6 n GLY 25 Ca -0.07 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 3ek6 n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ek6 s ILE 26 N 0.00 0.44 -0.32 -0.61 1.01 -1.26 -3.87 121.20 116.59 3ek6 s ILE 26 Ca 0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 3ek6 s ILE 26 Cb 0.00 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 42.01 3ek6 s ILE 26 CO 0.00 0.18 0.61 -0.62 0.00 0.00 0.00 174.94 175.11 3ek6 s ASP 27 N 0.65 6.46 0.27 3.58 -1.08 0.12 -4.95 116.67 121.71 3ek6 s ASP 27 Ca -0.08 0.33 -0.00 0.00 -0.52 0.00 0.00 52.55 52.27 3ek6 s ASP 27 Cb -0.11 -2.32 0.51 0.00 -1.46 0.00 0.00 42.92 39.53 3ek6 s ASP 27 CO -0.00 -0.49 1.83 1.55 0.52 0.00 0.00 175.17 178.58 3ek6 h PRO 28 N 8.26 0.93 -0.80 4.34 0.13 -1.94 -1.56 132.00 141.35 3ek6 h PRO 28 Ca -0.27 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 3ek6 h PRO 28 Cb 1.12 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 32.00 3ek6 h PRO 28 CO 0.80 0.61 0.39 0.87 -0.23 0.00 0.00 178.00 180.44 3ek6 h LYS 29 N 0.95 1.16 -0.43 0.86 1.57 -1.96 -1.33 116.57 117.38 3ek6 h LYS 29 Ca 0.47 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.94 3ek6 h LYS 29 Cb 0.44 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3ek6 h LYS 29 CO -0.26 0.89 -0.28 0.28 -0.57 0.00 0.00 179.45 179.51 3ek6 h VAL 30 N 1.14 1.27 0.00 0.50 2.07 -1.72 -2.20 116.25 117.30 3ek6 h VAL 30 Ca 0.28 -1.45 -0.12 0.00 0.82 0.00 0.00 66.70 66.22 3ek6 h VAL 30 Cb 0.12 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3ek6 h VAL 30 CO -0.03 0.49 -0.59 -0.29 0.02 0.00 0.00 177.57 177.17 3ek6 h ILE 31 N 0.79 1.22 -0.09 4.57 2.10 -1.21 -2.43 117.51 122.47 3ek6 h ILE 31 Ca 0.09 -2.16 -0.16 0.00 1.08 0.00 0.00 64.86 63.70 3ek6 h ILE 31 Cb 0.87 2.24 -0.01 0.00 -1.09 0.00 0.00 36.82 38.83 3ek6 h ILE 31 CO 0.08 0.57 -0.63 0.78 -1.08 0.00 0.00 178.15 177.87 3ek6 h ASN 32 N 0.00 0.39 -0.36 2.19 -0.26 -1.12 -1.90 115.58 114.52 3ek6 h ASN 32 Ca -0.01 -0.23 -0.13 0.00 -0.56 0.00 0.00 56.30 55.37 3ek6 h ASN 32 Cb 1.19 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 38.33 3ek6 h ASN 32 CO 0.08 0.92 -0.28 0.03 -1.06 0.00 0.00 177.43 177.12 3ek6 h ARG 33 N 0.25 0.82 -0.64 0.81 3.08 -1.26 -2.63 114.38 114.81 3ek6 h ARG 33 Ca -0.01 -0.40 -0.08 0.00 0.07 0.00 0.00 59.98 59.56 3ek6 h ARG 33 Cb 1.17 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 3ek6 h ARG 33 CO 0.10 1.04 0.08 1.25 -1.07 0.00 0.00 179.97 181.37 3ek6 h LEU 34 N 0.61 1.03 -0.49 3.04 5.85 -1.42 -1.23 115.31 122.70 3ek6 h LEU 34 Ca 0.07 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.58 3ek6 h LEU 34 Cb 0.85 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3ek6 h LEU 34 CO 0.07 1.03 0.25 0.00 -0.34 0.00 0.00 178.44 179.45 3ek6 h ALA 35 N 1.08 0.62 0.07 1.25 0.00 -1.31 0.40 119.26 121.36 3ek6 h ALA 35 Ca 0.19 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ek6 h ALA 35 Cb 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3ek6 h ALA 35 CO 0.02 -0.10 -0.03 0.45 0.00 0.00 0.00 179.25 179.58 3ek6 h HIS 36 N 0.48 -0.08 -0.90 0.00 3.86 -1.21 -0.15 115.15 117.16 3ek6 h HIS 36 Ca 0.21 -0.00 0.20 0.00 -1.16 0.00 0.00 60.37 59.63 3ek6 h HIS 36 Cb 0.12 0.03 -0.12 0.00 1.06 0.00 0.00 27.41 28.50 3ek6 h HIS 36 CO -0.10 -0.04 0.42 1.49 0.86 0.00 0.00 177.93 180.56 3ek6 h GLU 37 N -0.10 0.46 -0.11 2.45 4.57 -0.95 0.30 114.58 121.20 3ek6 h GLU 37 Ca -0.01 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.08 3ek6 h GLU 37 Cb 0.08 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3ek6 h GLU 37 CO 0.02 0.30 -0.19 0.28 -1.18 0.00 0.00 179.01 178.24 3ek6 h VAL 38 N 0.47 1.38 -0.40 0.32 2.07 -0.55 -3.00 116.25 116.55 3ek6 h VAL 38 Ca 0.54 -1.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.56 3ek6 h VAL 38 Cb 0.98 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 3ek6 h VAL 38 CO -0.48 0.42 0.03 0.40 0.02 0.00 0.00 177.57 177.96 3ek6 h ILE 39 N -0.11 1.21 -0.32 4.57 2.04 -0.40 -1.66 117.51 122.84 3ek6 h ILE 39 Ca 0.01 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.08 3ek6 h ILE 39 Cb 0.76 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3ek6 h ILE 39 CO 0.04 0.29 0.15 -0.08 0.00 0.00 0.00 178.15 178.55 3ek6 h GLU 40 N 0.60 0.31 -0.17 2.37 4.81 -0.45 -0.06 114.58 121.99 3ek6 h GLU 40 Ca 0.13 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3ek6 h GLU 40 Cb 0.33 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 3ek6 h GLU 40 CO 0.01 0.21 -0.06 0.00 -0.73 0.00 0.00 179.01 178.43 3ek6 h ALA 41 N 1.17 0.09 -0.72 2.92 0.00 -1.30 -1.71 119.26 119.71 3ek6 h ALA 41 Ca 0.14 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.19 3ek6 h ALA 41 Cb 0.06 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3ek6 h ALA 41 CO -0.10 -0.50 0.40 0.37 0.00 0.00 0.00 179.25 179.42 3ek6 h GLN 42 N -0.03 0.69 0.00 0.00 5.75 -0.95 -1.77 115.11 118.80 3ek6 h GLN 42 Ca 0.09 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.48 3ek6 h GLN 42 Cb 0.16 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 3ek6 h GLN 42 CO -0.20 0.46 -0.33 1.96 -2.65 0.00 0.00 178.83 178.07 3ek6 h GLN 43 N 0.71 0.00 0.00 1.69 4.20 -0.80 -1.40 115.11 119.51 3ek6 h GLN 43 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 3ek6 h GLN 43 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3ek6 h GLN 43 CO -0.21 0.33 0.00 0.00 -0.67 0.00 0.00 178.83 178.28 3ek6 n ALA 44 N -2.28 1.54 0.00 3.87 0.00 -0.66 -4.86 120.51 118.12 3ek6 n ALA 44 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ek6 n ALA 44 Cb 0.48 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3ek6 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek6 n GLY 45 N -0.27 0.72 3.77 0.00 0.00 -0.53 -4.99 105.19 103.90 3ek6 n GLY 45 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3ek6 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek6 s ALA 46 N -2.00 3.38 -0.33 4.61 0.00 -1.04 -4.97 121.76 121.40 3ek6 s ALA 46 Ca 0.00 1.13 -0.20 0.00 0.00 0.00 0.00 51.96 52.89 3ek6 s ALA 46 Cb 0.00 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 3ek6 s ALA 46 CO 0.00 -0.56 0.60 -0.65 0.00 0.00 0.00 175.76 175.15 3ek6 s GLN 47 N -1.90 3.75 -0.14 0.00 -0.21 0.13 -4.25 119.66 117.05 3ek6 s GLN 47 Ca 0.51 0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.98 3ek6 s GLN 47 Cb -0.36 -3.78 -0.01 0.00 1.00 0.00 0.00 33.01 29.86 3ek6 s GLN 47 CO 0.47 -0.64 -0.15 0.08 -2.12 0.00 0.00 175.29 172.93 3ek6 s VAL 48 N 2.58 2.82 0.08 1.09 1.01 -1.26 -0.90 120.40 125.83 3ek6 s VAL 48 Ca 0.23 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.57 3ek6 s VAL 48 Cb -0.15 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3ek6 s VAL 48 CO 0.13 0.52 -0.20 0.00 0.00 0.00 0.00 175.10 175.55 3ek6 s ALA 49 N 0.58 2.57 -0.01 5.51 0.00 -0.45 -1.64 121.76 128.32 3ek6 s ALA 49 Ca -0.09 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 50.61 3ek6 s ALA 49 Cb -0.16 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 3ek6 s ALA 49 CO 0.03 0.57 -0.14 -0.51 0.00 0.00 0.00 175.76 175.72 3ek6 s LEU 50 N -1.80 2.00 -0.08 0.00 1.43 0.13 -0.44 118.68 119.93 3ek6 s LEU 50 Ca 0.16 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3ek6 s LEU 50 Cb -0.10 -0.74 0.02 0.00 0.03 0.00 0.00 46.19 45.40 3ek6 s LEU 50 CO 0.07 0.17 -0.10 -0.69 0.23 0.00 0.00 176.35 176.02 3ek6 s VAL 51 N -0.27 1.05 -0.07 -1.59 1.01 -0.41 -1.02 120.40 119.11 3ek6 s VAL 51 Ca 0.04 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3ek6 s VAL 51 Cb -0.06 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.33 3ek6 s VAL 51 CO -0.00 0.35 -0.14 -0.63 0.00 0.00 0.00 175.10 174.68 3ek6 s ILE 52 N 0.97 1.24 1.20 2.22 1.01 -1.26 -0.59 121.20 125.98 3ek6 s ILE 52 Ca -0.09 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 59.81 3ek6 s ILE 52 Cb -0.15 -1.12 0.30 0.00 0.01 0.00 0.00 42.46 41.50 3ek6 s ILE 52 CO 0.00 0.38 1.12 0.61 0.00 0.00 0.00 174.94 177.05 3ek6 n GLY 53 N 3.73 -2.62 0.24 6.18 0.00 -0.22 -4.77 105.19 107.73 3ek6 n GLY 53 Ca -0.22 -1.52 0.03 0.00 0.00 0.00 0.00 46.02 44.31 3ek6 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek6 n GLY 54 N -4.63 0.47 0.21 -0.02 0.00 -1.26 -3.30 105.19 96.66 3ek6 n GLY 54 Ca 0.15 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3ek6 n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ek6 h GLY 55 N 1.00 0.00 2.00 -0.02 0.00 -1.88 0.19 103.07 104.36 3ek6 h GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ek6 h GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 176.54 179.99 3ek6 h ASN 56 N 0.00 0.00 0.00 0.19 -0.00 -1.86 -3.37 115.58 110.54 3ek6 h ASN 56 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.15 3ek6 h ASN 56 Cb 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.31 3ek6 h ASN 56 CO 0.00 0.00 -1.49 -0.38 -0.00 0.00 0.00 177.43 175.56 3ek6 n ILE 57 N -2.80 0.48 -2.72 6.14 5.41 0.51 -0.94 119.36 125.44 3ek6 n ILE 57 Ca 0.03 -0.13 -0.43 0.00 1.00 0.00 0.00 62.75 63.22 3ek6 n ILE 57 Cb 0.37 -1.56 -0.02 0.00 -0.71 0.00 0.00 39.64 37.73 3ek6 n ILE 57 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 3ek6 s PHE 58 N -2.16 2.88 0.23 1.39 5.99 -0.30 -4.87 117.98 121.14 3ek6 s PHE 58 Ca -0.12 -1.34 -0.19 0.00 0.00 0.00 0.00 56.93 55.28 3ek6 s PHE 58 Cb 0.05 -4.54 0.02 0.00 0.00 0.00 0.00 43.02 38.55 3ek6 s PHE 58 CO 0.16 -1.71 0.60 -0.98 -0.00 0.00 0.00 175.22 173.29 3ek6 s ARG 59 N 3.71 1.56 0.00 10.12 1.70 -1.26 -4.58 118.95 130.20 3ek6 s ARG 59 Ca 0.43 -0.93 0.00 0.00 -0.47 0.00 0.00 55.73 54.76 3ek6 s ARG 59 Cb -0.01 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.93 3ek6 s ARG 59 CO -0.05 -0.69 0.00 0.41 -1.08 0.00 0.00 175.30 173.89 3ek6 n GLY 60 N -0.40 -0.21 0.28 3.88 0.00 -1.26 -4.15 105.19 103.33 3ek6 n GLY 60 Ca -0.07 -1.60 0.13 0.00 0.00 0.00 0.00 46.02 44.48 3ek6 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek6 h ALA 61 N 0.00 1.60 0.01 4.61 0.00 -2.01 0.21 119.26 123.68 3ek6 h ALA 61 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 3ek6 h ALA 61 Cb 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ek6 h ALA 61 CO 0.00 0.04 -0.76 0.78 0.00 0.00 0.00 179.25 179.31 3ek6 h GLY 62 N 0.15 0.55 0.00 0.00 0.00 -1.99 -3.25 103.07 98.53 3ek6 h GLY 62 Ca -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 47.33 46.34 3ek6 h GLY 62 CO 0.00 0.87 -0.29 1.41 0.00 0.00 0.00 176.54 178.54 3ek6 h LEU 63 N 0.03 0.00 -5.47 3.11 3.38 -1.55 -3.39 115.31 111.41 3ek6 h LEU 63 Ca -0.10 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.16 3ek6 h LEU 63 Cb 1.46 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.16 3ek6 h LEU 63 CO 0.15 0.49 3.09 0.00 0.09 0.00 0.00 178.44 182.26 3ek6 n ALA 64 N -3.09 6.88 -1.92 1.53 0.00 0.68 -4.88 120.51 119.71 3ek6 n ALA 64 Ca -0.04 -3.84 -0.35 0.00 0.00 0.00 0.00 53.44 49.21 3ek6 n ALA 64 Cb 0.15 -3.14 -0.04 0.00 0.00 0.00 0.00 19.45 16.43 3ek6 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ek6 s ALA 65 N 0.90 1.91 0.10 0.00 0.00 -1.23 -4.59 121.76 118.86 3ek6 s ALA 65 Ca 0.59 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.94 3ek6 s ALA 65 Cb 0.17 -4.37 0.35 0.00 0.00 0.00 0.00 23.12 19.27 3ek6 s ALA 65 CO -0.07 -4.26 0.40 -1.13 0.00 0.00 0.00 175.76 170.70 3ek6 n SER 66 N 13.87 0.08 -2.89 0.00 3.41 -1.26 -0.53 113.62 126.29 3ek6 n SER 66 Ca 0.28 0.40 -0.22 0.00 -0.26 0.00 0.00 58.87 59.07 3ek6 n SER 66 Cb 0.51 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 3ek6 n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ek6 n GLY 67 N -1.08 4.63 3.82 5.00 0.00 -1.26 -5.06 105.19 111.23 3ek6 n GLY 67 Ca 0.10 -2.30 -0.24 0.00 0.00 0.00 0.00 46.02 43.58 3ek6 n GLY 67 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3ek6 s MET 68 N -3.16 2.31 0.08 1.61 0.00 0.31 -5.06 119.30 115.39 3ek6 s MET 68 Ca 0.44 -1.83 -0.34 0.00 0.00 0.00 0.00 55.69 53.95 3ek6 s MET 68 Cb 0.34 -2.10 -0.14 0.00 0.00 0.00 0.00 34.83 32.94 3ek6 s MET 68 CO -0.11 -0.28 1.64 -3.47 0.00 0.00 0.00 175.02 172.80 3ek6 n ASP 69 N -1.46 3.04 -0.04 -1.18 -0.08 -1.26 -4.86 116.55 110.71 3ek6 n ASP 69 Ca -0.01 1.06 -0.05 0.00 -1.51 0.00 0.00 54.79 54.28 3ek6 n ASP 69 Cb 0.64 -1.38 0.15 0.00 2.34 0.00 0.00 41.12 42.86 3ek6 n ASP 69 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3ek6 h ARG 70 N 6.69 0.62 -0.43 -0.67 9.65 -1.97 -1.55 114.38 126.73 3ek6 h ARG 70 Ca -0.46 -0.24 -0.02 0.00 -1.10 0.00 0.00 59.98 58.16 3ek6 h ARG 70 Cb 1.27 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.79 3ek6 h ARG 70 CO 0.90 0.81 0.21 0.28 2.80 0.00 0.00 179.97 184.96 3ek6 h VAL 71 N 0.55 1.18 -0.19 0.20 2.07 -1.99 -1.43 116.25 116.63 3ek6 h VAL 71 Ca 0.08 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.11 3ek6 h VAL 71 Cb 0.70 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3ek6 h VAL 71 CO 0.05 0.20 0.07 0.74 0.02 0.00 0.00 177.57 178.65 3ek6 h THR 72 N 0.56 0.96 -0.09 2.57 2.02 -1.87 -0.34 112.91 116.72 3ek6 h THR 72 Ca 0.15 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 3ek6 h THR 72 Cb 0.12 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3ek6 h THR 72 CO -0.02 0.03 -0.33 1.23 0.37 0.00 0.00 175.52 176.81 3ek6 h GLY 73 N 0.16 0.18 1.02 2.16 0.00 -1.20 -0.04 103.07 105.36 3ek6 h GLY 73 Ca 0.08 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 3ek6 h GLY 73 CO -0.08 0.14 -0.19 -0.55 0.00 0.00 0.00 176.54 175.86 3ek6 h ASP 74 N 0.15 0.85 -0.22 0.19 3.45 -1.06 -0.09 116.42 119.70 3ek6 h ASP 74 Ca 0.02 -0.40 0.01 0.00 0.43 0.00 0.00 57.03 57.08 3ek6 h ASP 74 Cb 0.65 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.18 3ek6 h ASP 74 CO 0.05 1.07 0.13 0.45 -1.57 0.00 0.00 179.24 179.36 3ek6 h HIS 75 N 0.63 0.24 -0.91 4.55 3.86 -0.70 0.45 115.15 123.27 3ek6 h HIS 75 Ca 0.09 0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.39 3ek6 h HIS 75 Cb 0.75 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 29.07 3ek6 h HIS 75 CO 0.06 0.14 0.59 0.52 0.86 0.00 0.00 177.93 180.10 3ek6 h MET 76 N 0.26 0.92 -0.49 2.45 2.86 -0.98 -1.54 114.93 118.41 3ek6 h MET 76 Ca 0.08 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3ek6 h MET 76 Cb -0.01 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 3ek6 h MET 76 CO -0.04 0.61 0.23 0.78 1.06 0.00 0.00 176.91 179.55 3ek6 h GLY 77 N 0.94 0.77 0.99 8.32 0.00 -0.33 -2.55 103.07 111.20 3ek6 h GLY 77 Ca 0.42 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.36 3ek6 h GLY 77 CO -0.18 0.37 0.44 -0.33 0.00 0.00 0.00 176.54 176.84 3ek6 h MET 78 N 0.65 0.87 -0.62 4.80 2.86 -0.11 -2.01 114.93 121.37 3ek6 h MET 78 Ca 0.17 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 3ek6 h MET 78 Cb 0.14 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 3ek6 h MET 78 CO -0.02 0.57 0.39 -0.07 1.06 0.00 0.00 176.91 178.85 3ek6 h LEU 79 N 0.89 0.66 -0.85 1.22 3.38 -1.23 -2.13 115.31 117.25 3ek6 h LEU 79 Ca 0.25 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.32 3ek6 h LEU 79 Cb -0.09 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.43 3ek6 h LEU 79 CO -0.06 0.47 0.49 0.00 0.09 0.00 0.00 178.44 179.42 3ek6 h ALA 80 N 1.25 1.24 0.00 1.53 0.00 -1.08 -1.35 119.26 120.86 3ek6 h ALA 80 Ca 0.24 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3ek6 h ALA 80 Cb -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ek6 h ALA 80 CO -0.08 0.08 -0.26 1.79 0.00 0.00 0.00 179.25 180.79 3ek6 h THR 81 N 0.79 1.15 -0.28 0.00 1.35 -0.71 -2.26 112.91 112.95 3ek6 h THR 81 Ca 0.42 -0.90 -0.18 0.00 -0.55 0.00 0.00 66.41 65.19 3ek6 h THR 81 Cb 0.43 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3ek6 h THR 81 CO -0.27 0.26 -0.54 0.58 -0.25 0.00 0.00 175.52 175.29 3ek6 h VAL 82 N 0.00 1.27 -0.40 6.82 2.07 -0.94 -0.03 116.25 125.04 3ek6 h VAL 82 Ca -0.00 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 3ek6 h VAL 82 Cb 0.47 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3ek6 h VAL 82 CO 0.03 0.56 0.21 0.40 0.02 0.00 0.00 177.57 178.79 3ek6 h ILE 83 N 0.65 1.16 -0.64 4.57 2.04 -0.94 -0.88 117.51 123.49 3ek6 h ILE 83 Ca 0.01 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3ek6 h ILE 83 Cb 1.15 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 3ek6 h ILE 83 CO 0.12 0.17 0.41 0.78 0.00 0.00 0.00 178.15 179.63 3ek6 h ASN 84 N 0.51 0.74 -0.65 1.72 -0.26 -1.35 -1.64 115.58 114.66 3ek6 h ASN 84 Ca 0.14 -0.04 0.07 0.00 -0.56 0.00 0.00 56.30 55.91 3ek6 h ASN 84 Cb 0.09 -0.19 -0.06 0.00 -1.06 0.00 0.00 38.32 37.10 3ek6 h ASN 84 CO -0.02 0.56 0.34 0.00 -1.06 0.00 0.00 177.43 177.25 3ek6 h ALA 85 N 1.22 0.87 -0.72 -0.83 0.00 -0.55 0.25 119.26 119.50 3ek6 h ALA 85 Ca 0.23 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3ek6 h ALA 85 Cb -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3ek6 h ALA 85 CO -0.05 -0.01 0.27 -0.07 0.00 0.00 0.00 179.25 179.38 3ek6 h LEU 86 N 0.62 1.00 -0.29 0.00 4.07 -0.73 0.16 115.31 120.15 3ek6 h LEU 86 Ca 0.30 -0.16 -0.09 0.00 0.08 0.00 0.00 57.88 58.01 3ek6 h LEU 86 Cb 0.24 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 3ek6 h LEU 86 CO -0.21 0.91 -0.16 0.00 -1.08 0.00 0.00 178.44 177.89 3ek6 h ALA 87 N 1.23 0.40 -0.25 1.53 0.00 -0.83 -1.87 119.26 119.48 3ek6 h ALA 87 Ca 0.24 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ek6 h ALA 87 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ek6 h ALA 87 CO -0.02 0.31 0.16 1.98 0.00 0.00 0.00 179.25 181.69 3ek6 h MET 88 N 0.36 0.33 0.00 0.00 1.85 -0.25 -1.48 114.93 115.73 3ek6 h MET 88 Ca 0.06 -0.02 0.03 0.00 -0.61 0.00 0.00 59.70 59.16 3ek6 h MET 88 Cb 0.69 -0.07 -0.05 0.00 0.43 0.00 0.00 31.60 32.60 3ek6 h MET 88 CO 0.05 0.23 -0.28 0.37 -0.40 0.00 0.00 176.91 176.88 3ek6 h GLN 89 N 0.33 -0.41 -0.49 0.39 4.15 -0.67 -0.25 115.11 118.15 3ek6 h GLN 89 Ca 0.09 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.64 3ek6 h GLN 89 Cb -0.02 0.09 -0.10 0.00 0.21 0.00 0.00 27.48 27.66 3ek6 h GLN 89 CO -0.02 -0.28 -0.18 0.22 -1.93 0.00 0.00 178.83 176.65 3ek6 h ASP 90 N -0.43 -0.63 -0.40 -0.69 3.58 -1.26 0.45 116.42 117.04 3ek6 h ASP 90 Ca 0.06 0.17 0.01 0.00 0.42 0.00 0.00 57.03 57.69 3ek6 h ASP 90 Cb 0.51 0.37 -0.02 0.00 1.72 0.00 0.00 39.33 41.91 3ek6 h ASP 90 CO -0.24 -0.21 0.24 0.00 -2.88 0.00 0.00 179.24 176.15 3ek6 h ALA 91 N 1.34 0.50 -0.40 -0.78 0.00 -0.96 -1.38 119.26 117.58 3ek6 h ALA 91 Ca 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3ek6 h ALA 91 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3ek6 h ALA 91 CO -0.54 -0.09 0.18 -0.07 0.00 0.00 0.00 179.25 178.72 3ek6 h LEU 92 N 0.48 0.53 -1.11 0.00 3.38 -0.56 -2.78 115.31 115.26 3ek6 h LEU 92 Ca 0.15 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3ek6 h LEU 92 Cb -0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3ek6 h LEU 92 CO -0.06 0.53 -0.40 -0.33 0.09 0.00 0.00 178.44 178.27 3ek6 h GLU 93 N 0.50 0.09 0.00 1.13 5.08 -0.78 -2.00 114.58 118.59 3ek6 h GLU 93 Ca 0.13 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3ek6 h GLU 93 Cb 0.15 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3ek6 h GLU 93 CO -0.01 0.47 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.22 3ek6 h LYS 94 N 0.07 0.00 -0.68 2.33 3.64 -0.97 0.56 116.57 121.53 3ek6 h LYS 94 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ek6 h LYS 94 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3ek6 h LYS 94 CO 0.06 0.03 0.00 1.28 -2.27 0.00 0.00 179.45 178.54 3ek6 n LEU 95 N -3.27 4.62 0.00 5.20 4.32 -0.79 -4.94 117.00 122.14 3ek6 n LEU 95 Ca -0.02 -2.33 0.00 0.00 -0.02 0.00 0.00 56.01 53.64 3ek6 n LEU 95 Cb 0.17 -0.57 0.00 0.00 -1.62 0.00 0.00 43.42 41.40 3ek6 n LEU 95 CO 0.25 0.83 0.00 0.61 -1.22 0.00 0.00 177.39 177.86 3ek6 n GLY 96 N 1.24 1.06 3.83 -0.72 0.00 0.19 -5.05 105.19 105.74 3ek6 n GLY 96 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 3ek6 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek6 s ALA 97 N -2.97 2.83 -0.20 4.61 0.00 -0.99 -4.98 121.76 120.07 3ek6 s ALA 97 Ca 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 51.96 52.06 3ek6 s ALA 97 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 3ek6 s ALA 97 CO 0.00 -0.82 0.07 0.15 0.00 0.00 0.00 175.76 175.16 3ek6 s LYS 98 N -4.56 3.93 0.05 0.00 -0.14 -1.26 -4.15 119.74 113.61 3ek6 s LYS 98 Ca 0.60 -0.36 0.01 0.00 -1.36 0.00 0.00 55.97 54.85 3ek6 s LYS 98 Cb -0.13 -3.26 -0.03 0.00 -1.68 0.00 0.00 37.83 32.72 3ek6 s LYS 98 CO 0.44 0.18 -0.05 0.14 -0.76 0.00 0.00 175.35 175.30 3ek6 s VAL 99 N 0.64 0.34 -0.05 3.17 -7.23 -1.26 -1.14 120.40 114.87 3ek6 s VAL 99 Ca 0.04 -1.39 -0.02 0.00 -1.81 0.00 0.00 61.98 58.80 3ek6 s VAL 99 Cb -0.13 -0.96 0.03 0.00 0.56 0.00 0.00 36.38 35.88 3ek6 s VAL 99 CO 0.01 -0.69 0.05 -0.13 -0.31 0.00 0.00 175.10 174.04 3ek6 s ARG 100 N -2.62 0.07 -0.15 4.82 1.81 -0.66 -4.93 118.95 117.28 3ek6 s ARG 100 Ca -0.03 0.32 -0.15 0.00 -1.72 0.00 0.00 55.73 54.14 3ek6 s ARG 100 Cb -0.02 -0.60 -0.04 0.00 -0.45 0.00 0.00 34.95 33.84 3ek6 s ARG 100 CO -0.04 -0.32 0.35 0.54 -0.68 0.00 0.00 175.30 175.15 3ek6 s VAL 101 N 2.09 5.27 0.02 3.52 0.11 -1.26 -1.14 120.40 129.01 3ek6 s VAL 101 Ca 0.05 0.68 0.06 0.00 -2.93 0.00 0.00 61.98 59.84 3ek6 s VAL 101 Cb -0.12 -3.69 -0.02 0.00 -1.53 0.00 0.00 36.38 31.02 3ek6 s VAL 101 CO -0.03 0.36 -0.19 -0.04 -3.33 0.00 0.00 175.10 171.86 3ek6 s MET 102 N 0.58 1.42 0.04 1.54 -1.94 0.71 -2.01 119.30 119.63 3ek6 s MET 102 Ca 0.19 -0.81 0.03 0.00 -1.71 0.00 0.00 55.69 53.40 3ek6 s MET 102 Cb -0.14 -1.45 -0.02 0.00 2.01 0.00 0.00 34.83 35.23 3ek6 s MET 102 CO 0.06 0.38 -0.10 0.45 -0.01 0.00 0.00 175.02 175.80 3ek6 s SER 103 N -0.85 1.18 0.44 3.03 0.15 -0.15 -0.69 113.70 116.81 3ek6 s SER 103 Ca 0.07 -0.47 0.30 0.00 0.70 0.00 0.00 55.95 56.55 3ek6 s SER 103 Cb -0.08 -0.03 1.24 0.00 -1.71 0.00 0.00 66.02 65.44 3ek6 s SER 103 CO 0.01 -0.08 1.89 0.00 1.20 0.00 0.00 173.24 176.25 3ek6 h ALA 104 N 4.79 1.00 -3.02 5.45 0.00 -1.51 -2.06 119.26 123.91 3ek6 h ALA 104 Ca -0.36 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.89 3ek6 h ALA 104 Cb 1.19 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.70 3ek6 h ALA 104 CO 0.43 0.00 -0.74 0.42 0.00 0.00 0.00 179.25 179.36 3ek6 s ILE 105 N -3.54 3.20 0.21 0.00 1.09 -1.26 -4.77 121.20 116.12 3ek6 s ILE 105 Ca 0.02 -0.55 -0.31 0.00 -1.10 0.00 0.00 60.65 58.70 3ek6 s ILE 105 Cb 0.09 -2.44 -0.11 0.00 -1.06 0.00 0.00 42.46 38.94 3ek6 s ILE 105 CO 0.48 0.44 1.64 -0.75 -0.10 0.00 0.00 174.94 176.66 3ek6 s LYS 106 N 1.38 4.16 -0.26 2.79 2.47 -1.26 -4.86 119.74 124.16 3ek6 s LYS 106 Ca 0.05 2.51 -0.02 0.00 -1.56 0.00 0.00 55.97 56.94 3ek6 s LYS 106 Cb -0.14 -3.10 0.11 0.00 -1.46 0.00 0.00 37.83 33.25 3ek6 s LYS 106 CO -0.04 -0.67 0.23 0.42 0.16 0.00 0.00 175.35 175.45 3ek6 s ILE 107 N 0.96 -0.30 0.01 5.43 1.01 -1.19 -5.05 121.20 122.06 3ek6 s ILE 107 Ca 0.71 -0.45 -0.37 0.00 0.00 0.00 0.00 60.65 60.55 3ek6 s ILE 107 Cb -0.47 -0.90 -0.15 0.00 0.01 0.00 0.00 42.46 40.95 3ek6 s ILE 107 CO 0.34 -0.46 1.53 -0.46 0.00 0.00 0.00 174.94 175.89 3ek6 n ASN 108 N 5.30 2.26 -0.04 3.58 2.04 -1.26 -0.94 115.26 126.19 3ek6 n ASN 108 Ca -0.04 1.09 -0.01 0.00 -0.44 0.00 0.00 54.58 55.18 3ek6 n ASN 108 Cb 0.46 -1.24 -0.00 0.00 -2.53 0.00 0.00 39.78 36.47 3ek6 n ASN 108 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 3ek6 n ASP 109 N 3.71 -5.15 -0.04 0.53 4.64 -1.26 -4.68 116.55 114.31 3ek6 n ASP 109 Ca 0.20 0.01 -0.08 0.00 -1.38 0.00 0.00 54.79 53.55 3ek6 n ASP 109 Cb 0.21 -2.69 -0.03 0.00 -1.04 0.00 0.00 41.12 37.57 3ek6 n ASP 109 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 3ek6 n VAL 110 N -2.29 0.44 -3.65 5.18 0.31 -0.70 -5.08 118.33 112.53 3ek6 n VAL 110 Ca -0.01 -0.09 -0.11 0.00 -0.01 0.00 0.00 64.34 64.12 3ek6 n VAL 110 Cb 0.36 -1.61 -0.08 0.00 -0.91 0.00 0.00 33.84 31.61 3ek6 n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ek6 s GLU 112 N 0.83 1.88 0.39 0.00 2.02 -0.85 -3.20 118.70 119.78 3ek6 s GLU 112 Ca -0.04 1.65 -0.27 0.00 0.02 0.00 0.00 54.97 56.32 3ek6 s GLU 112 Cb -0.05 -1.82 -0.10 0.00 0.10 0.00 0.00 34.13 32.26 3ek6 s GLU 112 CO -0.07 -2.00 1.44 0.34 0.02 0.00 0.00 175.26 174.99 3ek6 s ASP 113 N -2.32 6.30 -0.10 -0.19 2.15 -1.26 -0.98 116.67 120.26 3ek6 s ASP 113 Ca 0.71 2.95 -0.30 0.00 0.43 0.00 0.00 52.55 56.34 3ek6 s ASP 113 Cb -0.26 -2.66 -0.02 0.00 -0.30 0.00 0.00 42.92 39.67 3ek6 s ASP 113 CO 0.49 -0.89 1.20 0.12 -0.17 0.00 0.00 175.17 175.92 3ek6 s PHE 114 N -1.15 3.10 -0.15 -5.34 5.36 -0.77 -4.64 117.98 114.39 3ek6 s PHE 114 Ca 0.54 1.18 -0.02 0.00 -0.96 0.00 0.00 56.93 57.67 3ek6 s PHE 114 Cb -0.44 -3.43 0.05 0.00 -0.34 0.00 0.00 43.02 38.85 3ek6 s PHE 114 CO 0.59 -1.34 0.01 0.42 -1.46 0.00 0.00 175.22 173.44 3ek6 s ILE 115 N 2.67 0.57 0.21 3.12 1.01 -1.26 -5.01 121.20 122.50 3ek6 s ILE 115 Ca 0.54 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.73 3ek6 s ILE 115 Cb -0.23 -0.91 0.18 0.00 0.01 0.00 0.00 42.46 41.51 3ek6 s ILE 115 CO 0.19 -0.00 1.67 -0.09 0.00 0.00 0.00 174.94 176.70 3ek6 h ARG 116 N 8.25 0.12 -0.48 2.79 2.43 -1.94 0.40 114.38 125.95 3ek6 h ARG 116 Ca -0.19 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.92 3ek6 h ARG 116 Cb 1.12 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 3ek6 h ARG 116 CO 0.32 0.08 0.09 0.00 -1.51 0.00 0.00 179.97 178.95 3ek6 h ARG 117 N 0.13 0.80 -0.62 0.20 3.08 -1.97 -1.72 114.38 114.28 3ek6 h ARG 117 Ca 0.30 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 3ek6 h ARG 117 Cb 0.48 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3ek6 h ARG 117 CO -0.49 0.80 0.15 -0.09 -1.07 0.00 0.00 179.97 179.27 3ek6 h ARG 118 N 0.67 0.96 -0.44 0.04 2.43 -1.84 -1.91 114.38 114.30 3ek6 h ARG 118 Ca 0.15 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3ek6 h ARG 118 Cb 0.38 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3ek6 h ARG 118 CO 0.01 0.86 0.18 0.00 -1.51 0.00 0.00 179.97 179.50 3ek6 h ALA 119 N 1.24 0.57 -0.19 2.80 0.00 -0.51 -0.28 119.26 122.90 3ek6 h ALA 119 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ek6 h ALA 119 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ek6 h ALA 119 CO -0.00 0.17 0.05 0.82 0.00 0.00 0.00 179.25 180.28 3ek6 h ILE 120 N 0.56 1.20 -0.54 0.00 2.04 -1.23 -1.64 117.51 117.91 3ek6 h ILE 120 Ca 0.15 -0.64 0.09 0.00 1.00 0.00 0.00 64.86 65.46 3ek6 h ILE 120 Cb 0.18 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 37.46 3ek6 h ILE 120 CO -0.01 0.20 0.12 -0.09 0.00 0.00 0.00 178.15 178.36 3ek6 h ARG 121 N 0.12 0.25 -0.52 2.37 2.43 -1.16 0.23 114.38 118.10 3ek6 h ARG 121 Ca 0.06 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 3ek6 h ARG 121 Cb 0.26 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.69 3ek6 h ARG 121 CO 0.00 0.17 0.17 0.45 -1.51 0.00 0.00 179.97 179.24 3ek6 h HIS 122 N 0.26 0.29 -0.65 2.20 3.86 -0.87 -0.96 115.15 119.28 3ek6 h HIS 122 Ca 0.27 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.49 3ek6 h HIS 122 Cb 0.37 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 3ek6 h HIS 122 CO -0.23 0.07 0.32 -0.07 0.86 0.00 0.00 177.93 178.88 3ek6 h LEU 123 N 0.33 0.81 -1.00 2.43 4.07 -0.16 -2.00 115.31 119.79 3ek6 h LEU 123 Ca 0.26 -0.08 -0.09 0.00 0.08 0.00 0.00 57.88 58.04 3ek6 h LEU 123 Cb 0.30 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3ek6 h LEU 123 CO -0.28 0.68 -0.44 -0.33 -1.08 0.00 0.00 178.44 176.99 3ek6 h GLU 124 N 0.91 0.00 -0.08 1.13 5.08 0.19 -2.78 114.58 119.03 3ek6 h GLU 124 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3ek6 h GLU 124 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3ek6 h GLU 124 CO -0.03 0.44 0.00 1.63 -1.00 0.00 0.00 179.01 180.05 3ek6 n LYS 125 N -3.75 1.38 -0.35 2.33 5.02 -0.44 -4.90 118.16 117.45 3ek6 n LYS 125 Ca -0.01 -0.58 0.00 0.00 -2.02 0.00 0.00 58.31 55.70 3ek6 n LYS 125 Cb 0.51 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 3ek6 n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ek6 n GLY 126 N 0.98 0.74 3.84 0.72 0.00 -1.05 -5.06 105.19 105.36 3ek6 n GLY 126 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3ek6 n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ek6 s ARG 127 N -0.65 4.05 -0.07 1.61 0.52 -0.80 -4.75 118.95 118.86 3ek6 s ARG 127 Ca 0.00 0.67 -0.26 0.00 -0.52 0.00 0.00 55.73 55.62 3ek6 s ARG 127 Cb 0.00 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.81 3ek6 s ARG 127 CO 0.00 0.27 0.82 0.42 0.02 0.00 0.00 175.30 176.83 3ek6 s ILE 128 N -1.78 4.95 -0.27 1.52 -1.09 -0.29 -4.16 121.20 120.07 3ek6 s ILE 128 Ca 0.49 1.68 -0.13 0.00 -2.23 0.00 0.00 60.65 60.46 3ek6 s ILE 128 Cb -0.13 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 3ek6 s ILE 128 CO 0.19 0.17 0.29 0.00 -1.23 0.00 0.00 174.94 174.36 3ek6 s ALA 129 N 1.19 3.55 -0.20 9.38 0.00 -0.65 -1.65 121.76 133.38 3ek6 s ALA 129 Ca 0.42 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 3ek6 s ALA 129 Cb -0.18 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 3ek6 s ALA 129 CO 0.20 -0.59 -0.01 0.42 0.00 0.00 0.00 175.76 175.78 3ek6 s ILE 130 N 1.89 3.87 -0.10 0.00 1.01 -0.29 0.20 121.20 127.78 3ek6 s ILE 130 Ca 0.12 -0.34 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 3ek6 s ILE 130 Cb -0.16 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 3ek6 s ILE 130 CO 0.10 0.43 -0.07 -0.36 0.00 0.00 0.00 174.94 175.04 3ek6 s PHE 131 N 1.00 2.94 0.24 3.97 0.08 -0.19 -0.21 117.98 125.82 3ek6 s PHE 131 Ca 0.01 -0.16 0.06 0.00 0.12 0.00 0.00 56.93 56.96 3ek6 s PHE 131 Cb -0.14 -1.79 -0.05 0.00 -0.57 0.00 0.00 43.02 40.46 3ek6 s PHE 131 CO 0.01 0.16 -0.06 0.00 -0.10 0.00 0.00 175.22 175.24 3ek6 s ALA 132 N -0.34 2.07 -0.07 5.36 0.00 0.14 -4.32 121.76 124.60 3ek6 s ALA 132 Ca 0.05 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.21 3ek6 s ALA 132 Cb -0.12 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3ek6 s ALA 132 CO 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 175.76 175.67 3ek6 n ALA 133 N -0.48 -0.01 -0.90 0.00 0.00 -1.26 -1.60 120.51 116.26 3ek6 n ALA 133 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3ek6 n ALA 133 Cb 0.63 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.72 3ek6 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek6 n GLY 134 N -2.31 3.76 0.14 0.00 0.00 -1.26 -1.10 105.19 104.42 3ek6 n GLY 134 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3ek6 n GLY 134 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ek6 h THR 135 N 0.00 0.99 0.00 2.61 2.02 -1.88 -3.40 112.91 113.25 3ek6 h THR 135 Ca 0.00 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 65.02 3ek6 h THR 135 Cb 0.00 2.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3ek6 h THR 135 CO 0.00 0.52 0.00 0.61 0.37 0.00 0.00 175.52 177.02 3ek6 n GLY 136 N 0.92 0.77 3.38 2.16 0.00 -0.26 -4.92 105.19 107.25 3ek6 n GLY 136 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3ek6 n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ek6 s ASN 137 N -2.67 3.53 1.00 1.61 0.01 -1.26 -5.00 114.94 112.16 3ek6 s ASN 137 Ca 0.00 -0.34 -0.12 0.00 -0.71 0.00 0.00 52.86 51.68 3ek6 s ASN 137 Cb 0.00 -0.66 0.19 0.00 0.41 0.00 0.00 41.25 41.18 3ek6 s ASN 137 CO 0.00 0.32 1.10 -2.16 -1.51 0.00 0.00 177.10 174.85 3ek6 s PRO 138 N -0.59 0.45 0.00 -0.60 0.04 -1.26 -3.63 135.00 129.41 3ek6 s PRO 138 Ca 0.09 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.59 3ek6 s PRO 138 Cb -0.11 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.69 3ek6 s PRO 138 CO 0.00 -2.71 0.00 1.19 0.04 0.00 0.00 177.00 175.53 3ek6 n PHE 139 N -4.15 0.00 -4.27 0.56 3.72 -1.26 -5.00 117.46 107.06 3ek6 n PHE 139 Ca 0.05 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.15 3ek6 n PHE 139 Cb 0.58 -0.88 -0.10 0.00 -0.94 0.00 0.00 39.48 38.13 3ek6 n PHE 139 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3ek6 s PHE 140 N -1.94 2.71 0.55 1.38 0.08 -1.24 -5.14 117.98 114.38 3ek6 s PHE 140 Ca 0.00 -0.17 -0.03 0.00 0.12 0.00 0.00 56.93 56.84 3ek6 s PHE 140 Cb 0.00 -1.43 0.01 0.00 -0.57 0.00 0.00 43.02 41.03 3ek6 s PHE 140 CO 0.00 0.41 0.83 0.95 -0.10 0.00 0.00 175.22 177.31 3ek6 s THR 141 N -1.18 3.56 0.37 0.64 -4.23 -1.26 -4.97 115.64 108.56 3ek6 s THR 141 Ca 0.20 -0.22 0.06 0.00 -1.18 0.00 0.00 61.69 60.55 3ek6 s THR 141 Cb -0.11 -3.39 0.29 0.00 1.34 0.00 0.00 72.50 70.63 3ek6 s THR 141 CO 0.13 -0.35 1.97 0.74 -0.54 0.00 0.00 174.62 176.57 3ek6 h THR 142 N -0.02 1.04 -0.29 3.99 2.02 -2.00 -2.44 112.91 115.21 3ek6 h THR 142 Ca -0.45 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.48 3ek6 h THR 142 Cb 1.26 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3ek6 h THR 142 CO 0.59 0.14 0.17 0.44 0.37 0.00 0.00 175.52 177.23 3ek6 h ASP 143 N 0.74 0.29 -0.55 4.18 3.32 -1.99 -0.46 116.42 121.95 3ek6 h ASP 143 Ca 0.29 -0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.45 3ek6 h ASP 143 Cb 0.21 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 39.61 3ek6 h ASP 143 CO -0.09 0.21 0.02 0.28 -1.72 0.00 0.00 179.24 177.94 3ek6 h SER 144 N 0.36 -0.19 -0.67 6.45 0.02 -1.80 -0.87 113.55 116.85 3ek6 h SER 144 Ca 0.11 0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 61.12 3ek6 h SER 144 Cb -0.01 0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 3ek6 h SER 144 CO -0.04 -0.07 0.15 1.23 -1.14 0.00 0.00 176.83 176.95 3ek6 h GLY 145 N 0.14 1.17 0.85 -3.77 0.00 -1.11 -1.23 103.07 99.12 3ek6 h GLY 145 Ca 0.28 -0.75 0.03 0.00 0.00 0.00 0.00 47.33 46.89 3ek6 h GLY 145 CO -0.44 0.70 0.31 0.00 0.00 0.00 0.00 176.54 177.10 3ek6 h ALA 146 N 1.06 0.68 -0.05 3.60 0.00 -0.63 -0.56 119.26 123.35 3ek6 h ALA 146 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3ek6 h ALA 146 Cb 0.39 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ek6 h ALA 146 CO 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 179.25 179.26 3ek6 h ALA 147 N 1.24 0.07 -0.61 0.00 0.00 -0.96 0.36 119.26 119.37 3ek6 h ALA 147 Ca 0.22 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3ek6 h ALA 147 Cb 0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3ek6 h ALA 147 CO -0.10 -0.22 0.33 1.25 0.00 0.00 0.00 179.25 180.50 3ek6 h LEU 148 N -0.23 0.47 -0.09 0.00 7.12 -1.20 -0.59 115.31 120.80 3ek6 h LEU 148 Ca 0.01 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.05 3ek6 h LEU 148 Cb 0.39 -0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 40.46 3ek6 h LEU 148 CO 0.00 0.31 0.01 0.03 -0.13 0.00 0.00 178.44 178.67 3ek6 h ARG 149 N 0.61 0.15 -0.84 1.25 2.47 -0.94 0.02 114.38 117.09 3ek6 h ARG 149 Ca 0.28 -0.04 0.08 0.00 -1.26 0.00 0.00 59.98 59.04 3ek6 h ARG 149 Cb 0.18 -0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.42 3ek6 h ARG 149 CO -0.18 0.37 0.50 0.00 0.56 0.00 0.00 179.97 181.22 3ek6 h ALA 150 N 0.77 1.19 -0.44 0.04 0.00 -0.72 -1.01 119.26 119.10 3ek6 h ALA 150 Ca 0.03 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3ek6 h ALA 150 Cb 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ek6 h ALA 150 CO 0.00 0.16 -0.08 0.82 0.00 0.00 0.00 179.25 180.16 3ek6 h ILE 151 N 0.86 1.27 -0.59 0.00 2.04 -1.01 -0.30 117.51 119.78 3ek6 h ILE 151 Ca 0.39 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 3ek6 h ILE 151 Cb 0.31 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 3ek6 h ILE 151 CO -0.22 0.40 0.22 -0.33 0.00 0.00 0.00 178.15 178.21 3ek6 h GLU 152 N 0.66 0.87 -0.01 2.37 5.08 -0.45 -2.81 114.58 120.29 3ek6 h GLU 152 Ca 0.11 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3ek6 h GLU 152 Cb 0.61 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3ek6 h GLU 152 CO 0.04 0.73 -0.03 0.44 -1.00 0.00 0.00 179.01 179.20 3ek6 n ILE 153 N -4.31 0.00 -2.55 3.13 -5.35 -0.43 -4.95 119.36 104.91 3ek6 n ILE 153 Ca 0.05 -0.18 -0.12 0.00 -0.27 0.00 0.00 62.75 62.23 3ek6 n ILE 153 Cb 0.18 0.27 0.01 0.00 -1.74 0.00 0.00 39.64 38.37 3ek6 n ILE 153 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ek6 n GLY 154 N 1.16 0.02 3.78 3.28 0.00 -1.06 -4.93 105.19 107.43 3ek6 n GLY 154 Ca 0.19 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3ek6 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek6 s ALA 155 N -2.79 3.53 -0.38 4.61 0.00 -0.15 -4.92 121.76 121.67 3ek6 s ALA 155 Ca 0.12 1.49 0.22 0.00 0.00 0.00 0.00 51.96 53.78 3ek6 s ALA 155 Cb -0.05 -3.57 0.27 0.00 0.00 0.00 0.00 23.12 19.76 3ek6 s ALA 155 CO 0.15 -0.96 1.54 -0.44 0.00 0.00 0.00 175.76 176.05 3ek6 h ASP 156 N 3.05 0.00 -3.64 0.00 3.32 -1.17 -3.46 116.42 114.51 3ek6 h ASP 156 Ca -0.50 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.40 3ek6 h ASP 156 Cb 1.24 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.53 3ek6 h ASP 156 CO 0.64 0.09 -0.35 -0.22 -1.72 0.00 0.00 179.24 177.68 3ek6 s LEU 157 N -6.20 0.53 -0.23 1.55 0.20 -1.18 -4.48 118.68 108.88 3ek6 s LEU 157 Ca 0.06 0.68 -0.06 0.00 0.69 0.00 0.00 54.13 55.49 3ek6 s LEU 157 Cb 0.06 1.09 -0.02 0.00 -0.43 0.00 0.00 46.19 46.89 3ek6 s LEU 157 CO 0.69 -0.14 0.03 -0.22 -0.29 0.00 0.00 176.35 176.43 3ek6 s LEU 158 N 0.60 3.32 -0.18 -0.68 0.20 -0.57 -1.81 118.68 119.57 3ek6 s LEU 158 Ca -0.03 -0.22 -0.05 0.00 0.69 0.00 0.00 54.13 54.52 3ek6 s LEU 158 Cb -0.05 -1.87 -0.03 0.00 -0.43 0.00 0.00 46.19 43.81 3ek6 s LEU 158 CO -0.04 0.00 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.25 3ek6 s LEU 159 N 1.39 3.30 -0.39 -0.68 1.02 -0.30 -0.74 118.68 122.29 3ek6 s LEU 159 Ca 0.05 -0.14 -0.02 0.00 0.02 0.00 0.00 54.13 54.04 3ek6 s LEU 159 Cb -0.15 -1.81 0.10 0.00 0.02 0.00 0.00 46.19 44.35 3ek6 s LEU 159 CO 0.02 0.13 0.16 -0.75 0.02 0.00 0.00 176.35 175.93 3ek6 s LYS 160 N 0.61 2.02 0.05 1.70 2.20 0.04 -0.38 119.74 125.97 3ek6 s LYS 160 Ca -0.01 -1.74 -0.31 0.00 -0.36 0.00 0.00 55.97 53.55 3ek6 s LYS 160 Cb -0.14 -3.50 -0.06 0.00 -1.51 0.00 0.00 37.83 32.62 3ek6 s LYS 160 CO 0.02 -1.00 1.24 0.00 -0.36 0.00 0.00 175.35 175.26 3ek6 s ALA 161 N 1.14 3.45 0.15 3.13 0.00 -0.47 -2.63 121.76 126.53 3ek6 s ALA 161 Ca 0.07 0.85 0.03 0.00 0.00 0.00 0.00 51.96 52.91 3ek6 s ALA 161 Cb -0.22 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 3ek6 s ALA 161 CO -0.04 -0.55 0.11 -2.37 0.00 0.00 0.00 175.76 172.91 3ek6 n THR 162 N 4.10 0.00 0.07 0.00 5.66 -0.32 -4.45 114.28 119.33 3ek6 n THR 162 Ca 0.10 -1.02 -0.04 0.00 -3.05 0.00 0.00 64.05 60.03 3ek6 n THR 162 Cb 0.46 0.49 -0.08 0.00 -1.55 0.00 0.00 70.33 69.64 3ek6 n THR 162 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 3ek6 h LYS 163 N 0.00 0.00 -6.43 1.09 1.57 -1.94 -3.41 116.57 107.45 3ek6 h LYS 163 Ca -0.10 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.04 3ek6 h LYS 163 Cb 0.51 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.68 3ek6 h LYS 163 CO 0.16 0.72 -0.70 0.14 -0.57 0.00 0.00 179.45 179.20 3ek6 s VAL 164 N -2.78 3.54 -1.49 0.50 -7.23 -1.26 -4.96 120.40 106.72 3ek6 s VAL 164 Ca 0.01 -1.36 -0.10 0.00 -1.81 0.00 0.00 61.98 58.71 3ek6 s VAL 164 Cb 0.09 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 34.32 3ek6 s VAL 164 CO 0.80 -0.01 2.56 -0.67 -0.31 0.00 0.00 175.10 177.47 3ek6 n ASP 165 N 0.27 7.02 0.00 4.85 -0.08 -1.26 -3.91 116.55 123.44 3ek6 n ASP 165 Ca -0.11 -2.80 0.00 0.00 -1.51 0.00 0.00 54.79 50.36 3ek6 n ASP 165 Cb 0.54 -1.54 0.00 0.00 2.34 0.00 0.00 41.12 42.46 3ek6 n ASP 165 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ek6 n GLY 166 N 3.27 0.58 3.66 0.27 0.00 -1.25 -4.00 105.19 107.72 3ek6 n GLY 166 Ca 0.65 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 3ek6 n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek6 s VAL 167 N -0.88 4.82 0.22 1.61 1.01 -1.26 -4.84 120.40 121.08 3ek6 s VAL 167 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.06 3ek6 s VAL 167 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 3ek6 s VAL 167 CO 0.00 0.49 -0.21 -0.31 0.00 0.00 0.00 175.10 175.07 3ek6 s TYR 168 N 0.14 2.15 0.20 5.22 1.51 -1.26 -2.05 117.35 123.26 3ek6 s TYR 168 Ca 0.05 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.62 3ek6 s TYR 168 Cb -0.12 -1.01 0.14 0.00 -0.11 0.00 0.00 41.96 40.85 3ek6 s TYR 168 CO 0.00 0.53 1.79 0.22 -1.11 0.00 0.00 175.55 176.99 3ek6 h ASP 169 N 2.85 0.95 -5.29 2.29 1.82 -1.26 -3.46 116.42 114.32 3ek6 h ASP 169 Ca -0.43 -0.13 -0.16 0.00 -0.39 0.00 0.00 57.03 55.92 3ek6 h ASP 169 Cb 1.23 -0.24 -0.04 0.00 0.68 0.00 0.00 39.33 40.95 3ek6 h ASP 169 CO 0.54 0.81 0.03 -1.59 -1.61 0.00 0.00 179.24 177.42 3ek6 s LYS 170 N -5.72 2.09 -0.29 0.28 -2.85 -1.26 -4.97 119.74 107.02 3ek6 s LYS 170 Ca -0.13 -1.63 -0.28 0.00 -1.00 0.00 0.00 55.97 52.94 3ek6 s LYS 170 Cb 0.15 0.53 -0.05 0.00 -2.06 0.00 0.00 37.83 36.40 3ek6 s LYS 170 CO 0.81 -0.92 2.23 0.34 0.10 0.00 0.00 175.35 177.91 3ek6 s ASP 171 N -3.17 5.25 0.38 0.03 3.68 -1.26 -4.82 116.67 116.77 3ek6 s ASP 171 Ca 0.24 1.65 0.28 0.00 2.13 0.00 0.00 52.55 56.85 3ek6 s ASP 171 Cb -0.03 -2.51 1.21 0.00 -1.45 0.00 0.00 42.92 40.14 3ek6 s ASP 171 CO 0.17 -2.16 1.84 1.55 0.13 0.00 0.00 175.17 176.69 3ek6 h PRO 172 N 15.95 0.00 0.00 4.34 0.13 -1.97 -1.57 132.00 148.88 3ek6 h PRO 172 Ca -0.37 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.68 3ek6 h PRO 172 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3ek6 h PRO 172 CO 1.01 0.00 -0.41 0.87 -0.23 0.00 0.00 178.00 179.24 3ek6 h LYS 173 N 0.00 0.00 0.00 0.86 1.57 -2.02 -3.27 116.57 113.71 3ek6 h LYS 173 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3ek6 h LYS 173 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3ek6 h LYS 173 CO 0.00 0.41 -1.92 1.63 -0.57 0.00 0.00 179.45 179.00 3ek6 n LYS 174 N -3.24 0.61 -3.84 3.15 5.02 -1.07 -4.92 118.16 113.89 3ek6 n LYS 174 Ca 0.02 -0.17 -0.30 0.00 -2.02 0.00 0.00 58.31 55.84 3ek6 n LYS 174 Cb 0.67 -1.47 -0.15 0.00 -0.02 0.00 0.00 35.03 34.06 3ek6 n LYS 174 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3ek6 s HIS 175 N -3.33 2.27 -0.80 2.13 3.76 -0.61 -4.93 115.29 113.78 3ek6 s HIS 175 Ca -0.07 -1.99 0.13 0.00 -0.15 0.00 0.00 55.06 52.98 3ek6 s HIS 175 Cb 0.12 -1.94 0.58 0.00 1.11 0.00 0.00 32.58 32.46 3ek6 s HIS 175 CO 0.82 -0.86 1.40 -1.13 -0.85 0.00 0.00 174.74 174.12 3ek6 n SER 176 N 4.69 0.20 0.23 1.40 3.41 -1.26 -1.12 113.62 121.17 3ek6 n SER 176 Ca -0.03 0.57 0.15 0.00 -0.26 0.00 0.00 58.87 59.30 3ek6 n SER 176 Cb 0.43 -0.60 0.53 0.00 -0.26 0.00 0.00 64.21 64.31 3ek6 n SER 176 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3ek6 h ASP 177 N 0.00 0.00 -3.76 4.04 1.82 -1.91 -3.47 116.42 113.14 3ek6 h ASP 177 Ca 0.00 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 56.08 3ek6 h ASP 177 Cb 0.17 0.00 0.13 0.00 0.68 0.00 0.00 39.33 40.31 3ek6 h ASP 177 CO 0.00 0.00 0.53 0.00 -1.61 0.00 0.00 179.24 178.16 3ek6 n ALA 178 N -2.03 1.43 -3.00 -0.78 0.00 -0.28 -5.00 120.51 110.85 3ek6 n ALA 178 Ca 0.02 0.20 -0.35 0.00 0.00 0.00 0.00 53.44 53.31 3ek6 n ALA 178 Cb 0.35 -2.30 -0.12 0.00 0.00 0.00 0.00 19.45 17.38 3ek6 n ALA 178 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ek6 s VAL 179 N -1.25 4.30 0.03 0.00 1.01 -1.26 -4.96 120.40 118.27 3ek6 s VAL 179 Ca 0.65 -0.19 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 3ek6 s VAL 179 Cb -0.46 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.89 3ek6 s VAL 179 CO 0.55 0.40 0.53 -0.60 0.00 0.00 0.00 175.10 175.98 3ek6 s ARG 180 N 1.11 4.18 -0.14 2.72 3.52 -1.26 -0.65 118.95 128.42 3ek6 s ARG 180 Ca 0.04 0.65 -0.18 0.00 -0.13 0.00 0.00 55.73 56.10 3ek6 s ARG 180 Cb -0.14 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 3ek6 s ARG 180 CO 0.03 0.56 0.47 0.71 -0.81 0.00 0.00 175.30 176.26 3ek6 s TYR 181 N -0.79 3.48 0.20 5.12 1.51 -0.87 -4.98 117.35 121.02 3ek6 s TYR 181 Ca 0.28 0.85 0.01 0.00 -1.01 0.00 0.00 57.07 57.20 3ek6 s TYR 181 Cb -0.18 -2.56 0.13 0.00 -0.11 0.00 0.00 41.96 39.23 3ek6 s TYR 181 CO 0.17 0.12 1.48 -0.44 -1.11 0.00 0.00 175.55 175.77 3ek6 h ASP 182 N 6.86 0.37 -3.57 2.29 5.19 -1.91 -3.39 116.42 122.27 3ek6 h ASP 182 Ca -0.40 -0.24 -0.08 0.00 -0.62 0.00 0.00 57.03 55.69 3ek6 h ASP 182 Cb 1.17 -0.11 -0.24 0.00 0.18 0.00 0.00 39.33 40.34 3ek6 h ASP 182 CO 0.75 0.95 -0.14 -0.44 -3.12 0.00 0.00 179.24 177.24 3ek6 s SER 183 N -6.93 -0.60 0.03 6.45 0.01 -1.26 -1.07 113.70 110.33 3ek6 s SER 183 Ca -0.05 1.08 -0.08 0.00 1.31 0.00 0.00 55.95 58.21 3ek6 s SER 183 Cb 0.11 1.03 0.00 0.00 0.21 0.00 0.00 66.02 67.37 3ek6 s SER 183 CO 0.82 -0.19 0.17 -0.76 0.41 0.00 0.00 173.24 173.69 3ek6 s LEU 184 N 0.83 1.47 0.22 2.44 1.43 0.14 -4.91 118.68 120.29 3ek6 s LEU 184 Ca -0.04 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3ek6 s LEU 184 Cb -0.05 0.85 -0.04 0.00 0.03 0.00 0.00 46.19 46.98 3ek6 s LEU 184 CO -0.07 -0.51 0.41 0.28 0.23 0.00 0.00 176.35 176.69 3ek6 s THR 185 N -2.32 5.20 0.27 5.49 -1.32 -1.25 -1.14 115.64 120.56 3ek6 s THR 185 Ca -0.07 -0.44 -0.00 0.00 -1.21 0.00 0.00 61.69 59.97 3ek6 s THR 185 Cb -0.02 -3.76 0.27 0.00 -1.51 0.00 0.00 72.50 67.47 3ek6 s THR 185 CO -0.03 -0.24 1.83 1.88 -2.21 0.00 0.00 174.62 175.85 3ek6 h TYR 186 N 1.76 1.07 -0.21 9.09 -1.99 -1.37 -2.11 116.97 123.21 3ek6 h TYR 186 Ca -0.49 0.03 -0.18 0.00 2.00 0.00 0.00 58.73 60.10 3ek6 h TYR 186 Cb 1.20 -0.34 -0.00 0.00 2.00 0.00 0.00 36.73 39.59 3ek6 h TYR 186 CO 0.54 0.42 -0.58 -0.44 -0.00 0.00 0.00 178.16 178.09 3ek6 h ASP 187 N 0.94 0.76 -0.70 3.88 3.32 -1.92 -3.00 116.42 119.69 3ek6 h ASP 187 Ca 0.47 -0.42 0.02 0.00 0.02 0.00 0.00 57.03 57.13 3ek6 h ASP 187 Cb 0.47 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 3ek6 h ASP 187 CO -0.27 1.17 0.44 -0.33 -1.72 0.00 0.00 179.24 178.54 3ek6 h GLU 188 N 0.51 0.85 -0.54 3.56 5.08 -1.79 -0.25 114.58 122.00 3ek6 h GLU 188 Ca 0.00 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3ek6 h GLU 188 Cb 1.16 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 3ek6 h GLU 188 CO 0.12 0.56 0.26 0.28 -1.00 0.00 0.00 179.01 179.23 3ek6 h VAL 189 N 0.88 0.92 -0.46 3.13 2.07 -1.28 0.27 116.25 121.78 3ek6 h VAL 189 Ca 0.28 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.50 3ek6 h VAL 189 Cb -0.01 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3ek6 h VAL 189 CO -0.10 0.09 -0.19 -0.29 0.02 0.00 0.00 177.57 177.10 3ek6 h ILE 190 N 0.50 1.27 -0.43 4.57 6.09 -1.36 -1.39 117.51 126.76 3ek6 h ILE 190 Ca 0.25 -1.35 -0.06 0.00 -1.37 0.00 0.00 64.86 62.33 3ek6 h ILE 190 Cb 0.18 1.16 -0.02 0.00 0.47 0.00 0.00 36.82 38.62 3ek6 h ILE 190 CO -0.19 0.46 0.05 -0.03 -3.07 0.00 0.00 178.15 175.37 3ek6 h MET 191 N 0.79 0.73 -0.03 2.19 4.05 -0.13 -2.58 114.93 119.94 3ek6 h MET 191 Ca 0.11 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 3ek6 h MET 191 Cb 0.77 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.49 3ek6 h MET 191 CO 0.06 0.77 0.00 1.04 0.23 0.00 0.00 176.91 179.01 3ek6 n GLN 192 N -4.46 1.34 -3.10 0.39 6.02 0.86 -4.91 117.38 113.51 3ek6 n GLN 192 Ca -0.00 -0.49 -0.22 0.00 -0.01 0.00 0.00 57.00 56.28 3ek6 n GLN 192 Cb 0.26 -1.44 0.04 0.00 1.02 0.00 0.00 30.24 30.12 3ek6 n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ek6 n GLY 193 N 1.04 -0.47 3.80 1.08 0.00 -0.93 -4.98 105.19 104.72 3ek6 n GLY 193 Ca 0.19 0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 3ek6 n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ek6 s LEU 194 N -6.54 4.35 -0.29 0.99 1.43 -0.57 -5.04 118.68 113.01 3ek6 s LEU 194 Ca 0.34 1.64 -0.14 0.00 -1.03 0.00 0.00 54.13 54.95 3ek6 s LEU 194 Cb -0.15 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 3ek6 s LEU 194 CO 0.43 -0.01 0.31 -1.61 0.23 0.00 0.00 176.35 175.69 3ek6 s GLU 195 N -1.99 3.90 0.04 1.70 0.41 -1.26 -4.74 118.70 116.76 3ek6 s GLU 195 Ca 0.46 -0.18 -0.01 0.00 -0.41 0.00 0.00 54.97 54.84 3ek6 s GLU 195 Cb -0.18 -3.69 -0.01 0.00 -1.78 0.00 0.00 34.13 28.48 3ek6 s GLU 195 CO 0.22 -0.29 -0.02 0.28 -0.49 0.00 0.00 175.26 174.96 3ek6 n VAL 196 N 5.12 0.72 -4.22 2.63 0.31 -1.26 -5.02 118.33 116.60 3ek6 n VAL 196 Ca -0.11 0.20 -0.14 0.00 -0.01 0.00 0.00 64.34 64.29 3ek6 n VAL 196 Cb 0.51 -1.58 -0.10 0.00 -0.91 0.00 0.00 33.84 31.76 3ek6 n VAL 196 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3ek6 s MET 197 N -2.04 1.34 0.83 5.55 -1.94 -1.26 -5.09 119.30 116.68 3ek6 s MET 197 Ca -0.02 -1.72 -0.11 0.00 -1.71 0.00 0.00 55.69 52.13 3ek6 s MET 197 Cb 0.01 0.26 0.09 0.00 2.01 0.00 0.00 34.83 37.20 3ek6 s MET 197 CO 0.03 -0.45 1.10 0.16 -0.01 0.00 0.00 175.02 175.85 3ek6 s ASP 198 N -3.22 3.96 0.16 3.03 1.47 -1.26 -4.63 116.67 116.19 3ek6 s ASP 198 Ca 0.39 1.80 -0.22 0.00 1.18 0.00 0.00 52.55 55.70 3ek6 s ASP 198 Cb 0.06 -2.45 0.06 0.00 -0.34 0.00 0.00 42.92 40.25 3ek6 s ASP 198 CO 0.16 -2.38 1.61 0.74 0.68 0.00 0.00 175.17 175.97 3ek6 h THR 199 N -1.37 0.27 -0.69 2.11 2.02 -2.00 0.20 112.91 113.45 3ek6 h THR 199 Ca -0.45 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.73 3ek6 h THR 199 Cb 1.25 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 3ek6 h THR 199 CO 0.50 0.00 0.45 0.00 0.37 0.00 0.00 175.52 176.85 3ek6 h ALA 200 N 0.81 0.88 -0.16 6.16 0.00 -1.99 -0.00 119.26 124.95 3ek6 h ALA 200 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ek6 h ALA 200 Cb 0.52 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ek6 h ALA 200 CO -0.51 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.05 3ek6 h ALA 201 N 1.25 0.21 -0.60 0.00 0.00 -1.74 -1.73 119.26 116.65 3ek6 h ALA 201 Ca 0.25 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3ek6 h ALA 201 Cb -0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3ek6 h ALA 201 CO -0.05 -0.09 0.35 0.35 0.00 0.00 0.00 179.25 179.80 3ek6 h PHE 202 N 0.02 0.65 -0.67 0.00 3.57 -0.79 -1.43 116.94 118.29 3ek6 h PHE 202 Ca 0.04 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 3ek6 h PHE 202 Cb 0.37 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3ek6 h PHE 202 CO 0.03 0.35 0.33 0.00 -2.23 0.00 0.00 178.31 176.79 3ek6 h ALA 203 N 1.28 0.86 -0.29 2.41 0.00 -0.86 0.15 119.26 122.81 3ek6 h ALA 203 Ca 0.25 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3ek6 h ALA 203 Cb 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3ek6 h ALA 203 CO -0.13 0.41 0.10 1.25 0.00 0.00 0.00 179.25 180.88 3ek6 h LEU 204 N 0.92 0.12 -0.49 0.00 5.85 -0.83 -0.02 115.31 120.86 3ek6 h LEU 204 Ca 0.23 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.84 3ek6 h LEU 204 Cb 0.10 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3ek6 h LEU 204 CO -0.03 0.10 -0.25 0.00 -0.34 0.00 0.00 178.44 177.92 3ek6 h ALA 205 N 1.18 0.68 -0.69 1.25 0.00 -0.88 -3.14 119.26 117.66 3ek6 h ALA 205 Ca 0.13 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3ek6 h ALA 205 Cb 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ek6 h ALA 205 CO -0.13 0.67 0.32 -0.09 0.00 0.00 0.00 179.25 180.02 3ek6 h ARG 206 N 0.83 1.00 0.00 0.00 2.43 -0.40 0.31 114.38 118.54 3ek6 h ARG 206 Ca 0.10 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3ek6 h ARG 206 Cb 0.83 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3ek6 h ARG 206 CO 0.07 0.80 0.00 -0.44 -1.51 0.00 0.00 179.97 178.89 3ek6 h ASP 207 N 0.96 0.00 -0.39 -3.80 5.19 -0.96 -0.56 116.42 116.86 3ek6 h ASP 207 Ca 0.23 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 3ek6 h ASP 207 Cb 0.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.65 3ek6 h ASP 207 CO -0.03 0.00 0.00 -1.20 -3.12 0.00 0.00 179.24 174.89 3ek6 n SER 208 N -2.50 3.04 -4.03 6.45 7.64 -1.12 -4.99 113.62 118.11 3ek6 n SER 208 Ca 0.01 -1.96 -0.42 0.00 1.01 0.00 0.00 58.87 57.51 3ek6 n SER 208 Cb 0.23 -0.26 0.02 0.00 -1.01 0.00 0.00 64.21 63.19 3ek6 n SER 208 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3ek6 n ASP 209 N 0.75 -4.27 -4.67 6.43 -0.08 -0.22 -4.90 116.55 109.58 3ek6 n ASP 209 Ca 0.14 -1.24 -0.42 0.00 -1.51 0.00 0.00 54.79 51.76 3ek6 n ASP 209 Cb 0.45 -1.62 -0.04 0.00 2.34 0.00 0.00 41.12 42.26 3ek6 n ASP 209 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 3ek6 s LEU 210 N -6.93 4.18 0.03 -2.67 0.20 0.03 -4.92 118.68 108.61 3ek6 s LEU 210 Ca 0.38 1.27 -0.30 0.00 0.69 0.00 0.00 54.13 56.17 3ek6 s LEU 210 Cb -0.21 -3.33 -0.06 0.00 -0.43 0.00 0.00 46.19 42.15 3ek6 s LEU 210 CO 0.96 -0.43 1.44 -2.84 -0.29 0.00 0.00 176.35 175.19 3ek6 s PRO 211 N 2.21 4.27 -0.19 0.98 0.02 -1.26 -4.75 135.00 136.28 3ek6 s PRO 211 Ca 0.41 2.05 -0.03 0.00 0.02 0.00 0.00 61.00 63.44 3ek6 s PRO 211 Cb -0.17 -3.52 -0.02 0.00 0.02 0.00 0.00 34.50 30.81 3ek6 s PRO 211 CO 0.13 -0.58 -0.05 -0.51 -0.33 0.00 0.00 177.00 175.66 3ek6 s LEU 212 N 2.22 3.01 -0.41 -5.54 1.43 0.51 -1.50 118.68 118.40 3ek6 s LEU 212 Ca 0.66 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 53.39 3ek6 s LEU 212 Cb -0.34 -1.75 0.08 0.00 0.03 0.00 0.00 46.19 44.22 3ek6 s LEU 212 CO 0.28 0.06 0.23 -0.60 0.23 0.00 0.00 176.35 176.55 3ek6 s ARG 213 N 1.00 2.50 -0.15 1.70 6.06 0.08 -0.18 118.95 129.96 3ek6 s ARG 213 Ca 0.00 -1.50 -0.21 0.00 -2.50 0.00 0.00 55.73 51.52 3ek6 s ARG 213 Cb -0.15 -3.70 -0.03 0.00 0.06 0.00 0.00 34.95 31.13 3ek6 s ARG 213 CO 0.01 -0.95 0.61 0.42 -2.50 0.00 0.00 175.30 172.89 3ek6 s ILE 214 N 1.37 5.06 0.17 4.11 -1.09 -0.57 -0.78 121.20 129.47 3ek6 s ILE 214 Ca 0.03 1.20 -0.24 0.00 -2.23 0.00 0.00 60.65 59.41 3ek6 s ILE 214 Cb -0.23 -3.94 0.06 0.00 -1.58 0.00 0.00 42.46 36.77 3ek6 s ILE 214 CO 0.01 0.19 0.80 0.72 -1.23 0.00 0.00 174.94 175.44 3ek6 s PHE 215 N 1.35 -0.26 -0.16 3.97 -0.12 -1.08 0.15 117.98 121.83 3ek6 s PHE 215 Ca 0.30 -0.05 -0.05 0.00 -0.05 0.00 0.00 56.93 57.09 3ek6 s PHE 215 Cb -0.16 0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 42.83 3ek6 s PHE 215 CO 0.12 -0.92 -0.01 0.20 -0.05 0.00 0.00 175.22 174.57 3ek6 s GLY 216 N -2.82 1.78 -1.06 1.99 0.00 -1.25 -1.17 107.32 104.78 3ek6 s GLY 216 Ca 0.09 -0.80 -0.09 0.00 0.00 0.00 0.00 44.72 43.93 3ek6 s GLY 216 CO -0.01 -0.05 3.18 1.03 0.00 0.00 0.00 173.10 177.26 3ek6 n MET 217 N 3.49 3.13 0.15 2.90 2.81 -1.26 -4.66 117.12 123.68 3ek6 n MET 217 Ca -0.17 -1.81 -0.14 0.00 -1.81 0.00 0.00 57.70 53.77 3ek6 n MET 217 Cb 0.52 -2.52 -0.07 0.00 -0.71 0.00 0.00 33.22 30.44 3ek6 n MET 217 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3ek6 h SER 218 N 4.29 -0.35 -4.64 7.83 4.64 -1.94 -3.45 113.55 119.92 3ek6 h SER 218 Ca 0.64 0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.74 3ek6 h SER 218 Cb 0.71 0.11 -0.17 0.00 -0.31 0.00 0.00 62.40 62.74 3ek6 h SER 218 CO 1.25 -0.23 -0.71 -1.83 -0.87 0.00 0.00 176.83 174.44 3ek6 s GLU 219 N -6.13 0.74 0.41 4.77 -1.05 -1.26 -5.13 118.70 111.05 3ek6 s GLU 219 Ca -0.15 -1.15 -0.26 0.00 -0.15 0.00 0.00 54.97 53.26 3ek6 s GLU 219 Cb 0.06 -0.25 -0.10 0.00 -0.44 0.00 0.00 34.13 33.39 3ek6 s GLU 219 CO 0.65 0.01 1.27 -0.35 0.95 0.00 0.00 175.26 177.79 3ek6 n PRO 220 N 0.44 1.95 0.00 -4.83 -0.04 -1.26 -3.22 135.00 128.04 3ek6 n PRO 220 Ca -0.16 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 3ek6 n PRO 220 Cb 0.59 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 3ek6 n PRO 220 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ek6 n GLY 221 N 0.81 1.35 0.35 0.55 0.00 -1.26 -4.93 105.19 102.06 3ek6 n GLY 221 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3ek6 n GLY 221 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ek6 h VAL 222 N 0.00 1.16 -0.35 1.61 2.07 -1.96 -1.64 116.25 117.14 3ek6 h VAL 222 Ca 0.00 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 3ek6 h VAL 222 Cb 0.00 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 3ek6 h VAL 222 CO 0.00 0.18 -0.18 0.25 0.02 0.00 0.00 177.57 177.85 3ek6 h LEU 223 N 1.00 0.76 -0.08 2.57 5.85 -1.92 -0.68 115.31 122.83 3ek6 h LEU 223 Ca 0.30 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3ek6 h LEU 223 Cb -0.03 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 3ek6 h LEU 223 CO -0.08 1.00 0.05 0.25 -0.34 0.00 0.00 178.44 179.32 3ek6 h LEU 224 N 0.52 0.09 -0.44 2.25 6.46 -1.81 -1.89 115.31 120.49 3ek6 h LEU 224 Ca 0.08 -0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.88 3ek6 h LEU 224 Cb 0.72 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.57 3ek6 h LEU 224 CO 0.05 0.09 0.08 0.03 -0.62 0.00 0.00 178.44 178.07 3ek6 h ARG 225 N 0.08 0.20 -0.65 1.25 3.08 -1.13 -0.40 114.38 116.81 3ek6 h ARG 225 Ca 0.03 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.13 3ek6 h ARG 225 Cb 0.02 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 29.97 3ek6 h ARG 225 CO -0.01 0.13 0.35 0.82 -1.07 0.00 0.00 179.97 180.20 3ek6 h ILE 226 N 0.21 0.95 -0.03 2.04 2.04 -0.94 -0.37 117.51 121.41 3ek6 h ILE 226 Ca 0.22 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.86 3ek6 h ILE 226 Cb 0.28 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3ek6 h ILE 226 CO -0.29 0.12 0.03 -0.07 0.00 0.00 0.00 178.15 177.93 3ek6 h LEU 227 N 0.65 0.00 -2.28 1.44 3.38 -0.27 -0.64 115.31 117.59 3ek6 h LEU 227 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3ek6 h LEU 227 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3ek6 h LEU 227 CO -0.19 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.75 3ek6 n HIS 228 N -4.00 0.89 0.00 1.13 8.25 -0.22 0.24 115.22 121.51 3ek6 n HIS 228 Ca -0.02 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 3ek6 n HIS 228 Cb 0.12 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.17 3ek6 n HIS 228 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ek6 n GLY 229 N 1.33 0.53 3.78 -1.41 0.00 -0.25 -4.79 105.19 104.38 3ek6 n GLY 229 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3ek6 n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek6 n ALA 230 N -1.80 2.36 -2.74 4.61 0.00 -0.76 -4.90 120.51 117.28 3ek6 n ALA 230 Ca 0.00 0.33 -0.43 0.00 0.00 0.00 0.00 53.44 53.34 3ek6 n ALA 230 Cb 0.00 -2.42 0.01 0.00 0.00 0.00 0.00 19.45 17.04 3ek6 n ALA 230 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ek6 n GLN 231 N 0.36 3.94 -4.00 0.00 1.13 -1.26 -4.58 117.38 112.97 3ek6 n GLN 231 Ca 0.02 -4.04 -0.36 0.00 -1.94 0.00 0.00 57.00 50.67 3ek6 n GLN 231 Cb 0.39 -2.74 -0.07 0.00 0.11 0.00 0.00 30.24 27.93 3ek6 n GLN 231 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ek6 s ILE 232 N -0.93 5.12 0.00 5.09 1.01 -1.26 -4.92 121.20 125.31 3ek6 s ILE 232 Ca 0.36 0.07 0.00 0.00 0.00 0.00 0.00 60.65 61.08 3ek6 s ILE 232 Cb 0.05 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.29 3ek6 s ILE 232 CO 0.04 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.17 3ek6 n GLY 233 N 2.34 2.52 2.97 6.18 0.00 -1.26 -4.78 105.19 113.17 3ek6 n GLY 233 Ca -0.19 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 3ek6 n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ek6 s THR 234 N 0.00 0.67 -0.26 2.61 2.01 0.12 -4.56 115.64 116.23 3ek6 s THR 234 Ca 0.00 -0.29 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 3ek6 s THR 234 Cb 0.00 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.85 3ek6 s THR 234 CO 0.00 0.22 0.20 -0.22 -0.69 0.00 0.00 174.62 174.13 3ek6 s LEU 235 N 0.25 4.07 -0.18 4.42 1.98 -0.23 -1.50 118.68 127.49 3ek6 s LEU 235 Ca -0.04 0.09 -0.03 0.00 -2.89 0.00 0.00 54.13 51.27 3ek6 s LEU 235 Cb -0.08 -2.15 -0.02 0.00 0.66 0.00 0.00 46.19 44.59 3ek6 s LEU 235 CO 0.00 -0.01 -0.06 -0.69 -1.89 0.00 0.00 176.35 173.71 3ek6 s VAL 236 N 1.43 3.54 -0.22 1.68 1.01 0.75 0.27 120.40 128.86 3ek6 s VAL 236 Ca 0.08 -0.47 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 3ek6 s VAL 236 Cb -0.15 -2.56 0.14 0.00 0.00 0.00 0.00 36.38 33.81 3ek6 s VAL 236 CO 0.08 0.47 1.09 -1.10 0.00 0.00 0.00 175.10 175.63 3ek6 s GLN 237 N 0.79 0.46 0.28 2.72 -0.21 -0.30 -0.36 119.66 123.05 3ek6 s GLN 237 Ca -0.02 0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.60 3ek6 s GLN 237 Cb -0.15 0.22 0.00 0.00 1.00 0.00 0.00 33.01 34.08 3ek6 s GLN 237 CO 0.02 -0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 3ek6 n GLY 238 N 1.17 -2.47 3.36 3.09 0.00 -1.26 -3.83 105.19 105.24 3ek6 n GLY 238 Ca -0.10 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.02 3ek6 n GLY 238 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ek6 s ARG 239 N -0.64 1.38 0.00 1.61 3.00 -1.26 -1.50 118.95 121.54 3ek6 s ARG 239 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 55.73 54.45 3ek6 s ARG 239 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 34.95 33.16 3ek6 s ARG 239 CO 0.00 0.43 0.00 0.45 0.00 0.00 0.00 175.30 176.18