#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 4.27 0.24 -4.62 1.43 -1.26 -4.44 118.68 114.30 3ek6 s LEU 4 Ca 0.00 0.69 0.26 0.00 -1.03 0.00 0.00 54.13 54.05 3ek6 s LEU 4 Cb 0.00 -2.56 0.79 0.00 0.03 0.00 0.00 46.19 44.45 3ek6 s LEU 4 CO 0.00 0.06 1.76 0.28 0.23 0.00 0.00 176.35 178.67 3ek6 h SER 5 N 6.60 0.00 -3.17 2.29 0.02 0.16 -3.44 113.55 116.02 3ek6 h SER 5 Ca -0.42 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.30 3ek6 h SER 5 Cb 1.17 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.39 3ek6 h SER 5 CO 0.75 0.00 -0.55 -0.31 -1.14 0.00 0.00 176.83 175.57 3ek6 s TYR 6 N -3.14 -0.29 -0.04 3.45 2.02 -1.26 -5.06 117.35 113.03 3ek6 s TYR 6 Ca 0.10 0.74 -0.23 0.00 -0.37 0.00 0.00 57.07 57.30 3ek6 s TYR 6 Cb 0.11 -0.07 -0.25 0.00 -0.40 0.00 0.00 41.96 41.35 3ek6 s TYR 6 CO 0.58 -0.26 1.01 0.00 -1.57 0.00 0.00 175.55 175.31 3ek6 h ARG 7 N 7.78 0.24 -3.88 -0.62 -0.00 -1.94 -3.46 114.38 112.50 3ek6 h ARG 7 Ca -0.27 -0.28 -0.48 0.00 -0.50 0.00 0.00 59.98 58.45 3ek6 h ARG 7 Cb 1.13 0.09 -0.38 0.00 0.00 0.00 0.00 29.97 30.81 3ek6 h ARG 7 CO 0.26 1.02 -0.78 0.50 0.00 0.00 0.00 179.97 180.97 3ek6 s ARG 8 N -2.99 0.95 0.19 0.04 3.52 -1.26 -1.88 118.95 117.51 3ek6 s ARG 8 Ca -0.15 -0.08 0.11 0.00 -0.13 0.00 0.00 55.73 55.47 3ek6 s ARG 8 Cb 0.01 -1.31 -0.04 0.00 -1.56 0.00 0.00 34.95 32.05 3ek6 s ARG 8 CO 0.77 -0.32 -0.22 0.96 -0.81 0.00 0.00 175.30 175.68 3ek6 s ILE 9 N 1.86 2.20 -0.19 4.11 -4.36 -0.79 0.54 121.20 124.56 3ek6 s ILE 9 Ca 0.04 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.42 3ek6 s ILE 9 Cb -0.13 -2.05 0.02 0.00 1.25 0.00 0.00 42.46 41.56 3ek6 s ILE 9 CO -0.07 -0.19 -0.18 -0.22 0.24 0.00 0.00 174.94 174.52 3ek6 s LEU 10 N -2.72 2.29 -0.27 0.37 0.20 -0.36 -1.03 118.68 117.17 3ek6 s LEU 10 Ca 0.20 -0.71 -0.11 0.00 0.69 0.00 0.00 54.13 54.20 3ek6 s LEU 10 Cb -0.07 -1.50 -0.05 0.00 -0.43 0.00 0.00 46.19 44.14 3ek6 s LEU 10 CO 0.09 -0.02 0.18 -0.22 -0.29 0.00 0.00 176.35 176.09 3ek6 s LEU 11 N 1.28 3.99 -0.21 -0.68 2.96 0.95 -0.78 118.68 126.20 3ek6 s LEU 11 Ca 0.04 -0.00 -0.06 0.00 -0.22 0.00 0.00 54.13 53.89 3ek6 s LEU 11 Cb -0.14 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 3ek6 s LEU 11 CO -0.12 -0.03 0.03 -0.75 -1.32 0.00 0.00 176.35 174.16 3ek6 s LYS 12 N 1.62 3.69 0.07 1.98 2.36 0.05 -1.21 119.74 128.30 3ek6 s LYS 12 Ca 0.07 -0.48 0.09 0.00 -2.55 0.00 0.00 55.97 53.09 3ek6 s LYS 12 Cb -0.15 -3.15 -0.03 0.00 -1.05 0.00 0.00 37.83 33.44 3ek6 s LYS 12 CO 0.09 0.01 -0.22 -0.51 1.55 0.00 0.00 175.35 176.28 3ek6 s LEU 13 N 1.03 2.47 0.67 5.43 2.01 0.91 -1.93 118.68 129.26 3ek6 s LEU 13 Ca 0.03 -0.55 -0.11 0.00 0.01 0.00 0.00 54.13 53.51 3ek6 s LEU 13 Cb -0.14 -1.42 -0.01 0.00 0.01 0.00 0.00 46.19 44.63 3ek6 s LEU 13 CO 0.02 0.23 1.05 -0.94 1.01 0.00 0.00 176.35 177.72 3ek6 s SER 14 N -1.63 5.61 0.15 2.29 1.04 -1.26 -0.81 113.70 119.08 3ek6 s SER 14 Ca 0.14 1.60 -0.13 0.00 0.48 0.00 0.00 55.95 58.04 3ek6 s SER 14 Cb -0.10 -2.49 0.02 0.00 0.10 0.00 0.00 66.02 63.55 3ek6 s SER 14 CO 0.06 -1.29 1.65 1.23 0.98 0.00 0.00 173.24 175.86 3ek6 h GLY 15 N -0.50 0.85 2.00 7.32 0.00 -1.88 -2.85 103.07 108.01 3ek6 h GLY 15 Ca -0.44 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.33 3ek6 h GLY 15 CO 0.58 0.51 -0.06 1.05 0.00 0.00 0.00 176.54 178.62 3ek6 h GLU 16 N 0.68 0.00 -0.30 4.80 9.09 -1.88 0.14 114.58 127.11 3ek6 h GLU 16 Ca 0.15 0.00 0.09 0.00 0.05 0.00 0.00 59.36 59.65 3ek6 h GLU 16 Cb 0.35 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.43 3ek6 h GLU 16 CO 0.00 0.06 0.59 0.00 0.05 0.00 0.00 179.01 179.71 3ek6 h ALA 17 N 1.94 1.95 0.00 1.06 0.00 -1.90 0.87 119.26 123.18 3ek6 h ALA 17 Ca -0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 3ek6 h ALA 17 Cb 0.15 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3ek6 h ALA 17 CO 0.01 -0.74 -1.29 -0.07 0.00 0.00 0.00 179.25 177.15 3ek6 h LEU 18 N 0.00 0.00 -1.78 0.00 4.07 -0.88 -3.36 115.31 113.37 3ek6 h LEU 18 Ca 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.08 3ek6 h LEU 18 Cb 1.32 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.06 3ek6 h LEU 18 CO -0.00 0.83 -0.12 0.24 -1.08 0.00 0.00 178.44 178.30 3ek6 h MET 19 N 0.00 0.00 0.00 1.13 2.86 -0.89 -0.49 114.93 117.54 3ek6 h MET 19 Ca -0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3ek6 h MET 19 Cb 1.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.42 3ek6 h MET 19 CO 0.08 0.12 0.00 0.41 1.06 0.00 0.00 176.91 178.58 3ek6 n GLY 20 N -1.18 2.76 0.22 8.32 0.00 -1.25 -2.40 105.19 111.67 3ek6 n GLY 20 Ca -0.03 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.85 3ek6 n GLY 20 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3ek6 h ASP 21 N 0.25 0.00 -2.84 1.61 1.82 -1.95 -3.46 116.42 111.85 3ek6 h ASP 21 Ca 0.00 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.37 3ek6 h ASP 21 Cb 0.00 0.00 0.13 0.00 0.68 0.00 0.00 39.33 40.14 3ek6 h ASP 21 CO 0.00 0.05 0.11 0.61 -1.61 0.00 0.00 179.24 178.40 3ek6 n GLY 22 N 1.04 -2.50 0.69 -0.78 0.00 -1.01 -5.03 105.19 97.61 3ek6 n GLY 22 Ca 0.04 -1.51 0.06 0.00 0.00 0.00 0.00 46.02 44.60 3ek6 n GLY 22 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ek6 n ASP 23 N -4.18 1.45 -3.60 1.61 5.68 -1.26 -4.90 116.55 111.34 3ek6 n ASP 23 Ca 0.10 -3.00 -0.04 0.00 -0.50 0.00 0.00 54.79 51.36 3ek6 n ASP 23 Cb 0.40 -0.41 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 3ek6 n ASP 23 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 3ek6 s TYR 24 N -1.93 -0.14 0.00 2.11 -0.85 -1.26 -5.00 117.35 110.28 3ek6 s TYR 24 Ca 0.30 0.06 0.00 0.00 -0.52 0.00 0.00 57.07 56.91 3ek6 s TYR 24 Cb 0.30 0.53 0.00 0.00 0.38 0.00 0.00 41.96 43.17 3ek6 s TYR 24 CO -0.06 -0.29 0.00 0.41 -1.52 0.00 0.00 175.55 174.09 3ek6 n GLY 25 N -0.20 0.38 3.12 5.49 0.00 -0.27 -4.78 105.19 108.92 3ek6 n GLY 25 Ca -0.03 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 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 1.46 -0.36 -0.61 1.01 -1.26 -3.66 121.20 117.78 3ek6 s ILE 26 Ca 0.00 -0.70 -0.24 0.00 0.00 0.00 0.00 60.65 59.71 3ek6 s ILE 26 Cb 0.00 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 41.20 3ek6 s ILE 26 CO 0.00 0.42 0.81 -0.62 0.00 0.00 0.00 174.94 175.55 3ek6 s ASP 27 N 0.31 6.59 0.29 3.58 -1.08 -0.19 -4.96 116.67 121.21 3ek6 s ASP 27 Ca -0.10 0.43 0.00 0.00 -0.52 0.00 0.00 52.55 52.36 3ek6 s ASP 27 Cb -0.14 -2.41 0.51 0.00 -1.46 0.00 0.00 42.92 39.42 3ek6 s ASP 27 CO 0.04 -0.74 1.90 1.55 0.52 0.00 0.00 175.17 178.45 3ek6 h PRO 28 N 8.43 1.03 -0.24 4.34 0.13 -1.94 0.04 132.00 143.79 3ek6 h PRO 28 Ca -0.24 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 3ek6 h PRO 28 Cb 1.09 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 3ek6 h PRO 28 CO 0.92 0.68 0.11 0.87 -0.23 0.00 0.00 178.00 180.35 3ek6 h LYS 29 N 1.06 0.35 -0.35 0.86 1.57 -1.97 -1.77 116.57 116.32 3ek6 h LYS 29 Ca 0.40 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 59.03 3ek6 h LYS 29 Cb 0.20 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3ek6 h LYS 29 CO -0.15 0.37 -0.16 0.28 -0.57 0.00 0.00 179.45 179.22 3ek6 h VAL 30 N 0.25 1.26 -0.10 0.50 2.07 -1.51 -1.74 116.25 116.97 3ek6 h VAL 30 Ca 0.08 -1.19 -0.15 0.00 0.82 0.00 0.00 66.70 66.26 3ek6 h VAL 30 Cb 0.14 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3ek6 h VAL 30 CO -0.01 0.39 -0.59 -0.29 0.02 0.00 0.00 177.57 177.10 3ek6 h ILE 31 N 0.58 1.37 -0.27 4.57 6.09 -1.01 -2.86 117.51 125.98 3ek6 h ILE 31 Ca 0.10 -1.92 -0.06 0.00 -1.37 0.00 0.00 64.86 61.60 3ek6 h ILE 31 Cb 0.61 1.94 -0.01 0.00 0.47 0.00 0.00 36.82 39.83 3ek6 h ILE 31 CO 0.04 0.58 -0.09 -1.13 -3.07 0.00 0.00 178.15 174.48 3ek6 h ASN 32 N 0.24 0.54 -0.46 2.19 -1.24 -0.95 -0.18 115.58 115.72 3ek6 h ASN 32 Ca -0.00 -0.38 0.07 0.00 0.71 0.00 0.00 56.30 56.69 3ek6 h ASN 32 Cb 1.10 -0.15 -0.06 0.00 0.73 0.00 0.00 38.32 39.94 3ek6 h ASN 32 CO 0.10 0.80 0.13 -0.09 -1.29 0.00 0.00 177.43 177.07 3ek6 h ARG 33 N 0.27 0.27 -0.27 6.67 2.43 -1.35 -1.39 114.38 121.03 3ek6 h ARG 33 Ca 0.06 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3ek6 h ARG 33 Cb 0.57 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3ek6 h ARG 33 CO 0.03 0.18 0.13 -0.07 -1.51 0.00 0.00 179.97 178.73 3ek6 h LEU 34 N 0.28 0.19 -0.57 3.80 3.38 -1.25 -1.58 115.31 119.56 3ek6 h LEU 34 Ca 0.23 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.32 3ek6 h LEU 34 Cb 0.26 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 3ek6 h LEU 34 CO -0.26 0.15 -0.02 0.00 0.09 0.00 0.00 178.44 178.39 3ek6 h ALA 35 N 1.14 0.52 0.10 1.53 0.00 -0.67 -0.76 119.26 121.13 3ek6 h ALA 35 Ca 0.11 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3ek6 h ALA 35 Cb 0.04 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ek6 h ALA 35 CO -0.08 -0.40 -0.07 0.45 0.00 0.00 0.00 179.25 179.15 3ek6 h HIS 36 N 0.09 -0.17 -0.53 0.00 3.86 -0.66 0.67 115.15 118.41 3ek6 h HIS 36 Ca 0.29 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.58 3ek6 h HIS 36 Cb 0.46 0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.92 3ek6 h HIS 36 CO -0.37 -0.11 0.16 0.93 0.86 0.00 0.00 177.93 179.40 3ek6 h GLU 37 N -0.17 0.31 -0.27 2.45 4.39 -0.97 0.28 114.58 120.60 3ek6 h GLU 37 Ca -0.01 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.68 3ek6 h GLU 37 Cb 0.15 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3ek6 h GLU 37 CO 0.01 0.20 0.16 0.28 -1.16 0.00 0.00 179.01 178.50 3ek6 h VAL 38 N 0.31 1.04 -0.46 3.13 2.07 -0.77 -1.67 116.25 119.91 3ek6 h VAL 38 Ca 0.26 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 3ek6 h VAL 38 Cb 0.33 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3ek6 h VAL 38 CO -0.30 0.06 0.21 0.40 0.02 0.00 0.00 177.57 177.96 3ek6 h ILE 39 N 0.33 1.16 -0.29 4.57 2.04 -0.32 -1.32 117.51 123.68 3ek6 h ILE 39 Ca 0.10 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3ek6 h ILE 39 Cb -0.02 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3ek6 h ILE 39 CO -0.04 0.19 0.13 -0.33 0.00 0.00 0.00 178.15 178.10 3ek6 h GLU 40 N 0.64 0.42 0.00 2.37 5.08 -0.60 0.11 114.58 122.60 3ek6 h GLU 40 Ca 0.16 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3ek6 h GLU 40 Cb 0.09 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3ek6 h GLU 40 CO -0.02 0.41 -0.03 0.00 -1.00 0.00 0.00 179.01 178.37 3ek6 h ALA 41 N 0.99 -0.04 -0.59 3.43 0.00 -0.76 -1.43 119.26 120.85 3ek6 h ALA 41 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3ek6 h ALA 41 Cb 0.14 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3ek6 h ALA 41 CO -0.01 -0.53 0.11 0.37 0.00 0.00 0.00 179.25 179.19 3ek6 h GLN 42 N -0.06 0.93 0.00 0.00 -0.00 -1.21 -2.39 115.11 112.38 3ek6 h GLN 42 Ca 0.01 -0.22 -0.02 0.00 -0.00 0.00 0.00 58.65 58.42 3ek6 h GLN 42 Cb 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 27.48 27.43 3ek6 h GLN 42 CO -0.03 0.85 -0.11 0.37 0.00 0.00 0.00 178.83 179.91 3ek6 h GLN 43 N 0.89 0.00 0.00 1.69 5.75 -0.52 -1.66 115.11 121.26 3ek6 h GLN 43 Ca 0.19 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 3ek6 h GLN 43 Cb 0.36 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.91 3ek6 h GLN 43 CO 0.00 0.11 0.00 0.00 -2.65 0.00 0.00 178.83 176.29 3ek6 n ALA 44 N -2.52 2.09 0.00 3.38 0.00 -0.56 -4.88 120.51 118.02 3ek6 n ALA 44 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3ek6 n ALA 44 Cb 0.18 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 0.92 0.89 3.70 0.00 0.00 -0.62 -4.97 105.19 105.11 3ek6 n GLY 45 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 3.33 -0.45 4.61 0.00 -1.00 -4.98 121.76 121.28 3ek6 s ALA 46 Ca 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.32 3ek6 s ALA 46 Cb 0.00 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.72 3ek6 s ALA 46 CO 0.00 -0.45 1.20 -0.65 0.00 0.00 0.00 175.76 175.86 3ek6 s GLN 47 N 1.38 3.72 -0.15 0.00 -0.21 -0.79 -3.99 119.66 119.62 3ek6 s GLN 47 Ca 0.55 0.69 -0.06 0.00 0.02 0.00 0.00 55.36 56.56 3ek6 s GLN 47 Cb -0.24 -3.92 -0.04 0.00 1.00 0.00 0.00 33.01 29.81 3ek6 s GLN 47 CO 0.26 -1.38 0.04 0.08 -2.12 0.00 0.00 175.29 172.17 3ek6 s VAL 48 N 4.61 4.65 0.06 1.09 1.01 -1.26 -1.88 120.40 128.67 3ek6 s VAL 48 Ca 0.51 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.47 3ek6 s VAL 48 Cb -0.09 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 3ek6 s VAL 48 CO 0.31 0.51 -0.19 0.00 0.00 0.00 0.00 175.10 175.73 3ek6 s ALA 49 N -0.01 2.58 0.10 5.51 0.00 -0.19 -1.72 121.76 128.02 3ek6 s ALA 49 Ca 0.05 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 50.84 3ek6 s ALA 49 Cb -0.12 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 3ek6 s ALA 49 CO 0.01 0.57 -0.15 -0.51 0.00 0.00 0.00 175.76 175.69 3ek6 s LEU 50 N -1.57 2.35 -0.03 0.00 1.43 0.64 -0.03 118.68 121.47 3ek6 s LEU 50 Ca 0.15 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 3ek6 s LEU 50 Cb -0.10 -0.57 0.03 0.00 0.03 0.00 0.00 46.19 45.57 3ek6 s LEU 50 CO 0.06 -0.10 -0.00 -0.69 0.23 0.00 0.00 176.35 175.85 3ek6 s VAL 51 N -1.76 0.18 -0.04 -1.59 1.01 -0.35 -1.51 120.40 116.35 3ek6 s VAL 51 Ca 0.05 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.15 3ek6 s VAL 51 Cb -0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 3ek6 s VAL 51 CO 0.03 0.15 -0.14 -0.63 0.00 0.00 0.00 175.10 174.50 3ek6 s ILE 52 N 1.04 1.19 0.53 2.22 1.01 -1.25 -0.06 121.20 125.87 3ek6 s ILE 52 Ca -0.10 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 59.88 3ek6 s ILE 52 Cb -0.14 -1.03 0.13 0.00 0.01 0.00 0.00 42.46 41.43 3ek6 s ILE 52 CO -0.02 0.35 0.56 0.61 0.00 0.00 0.00 174.94 176.45 3ek6 n GLY 53 N 3.17 -2.03 0.02 6.18 0.00 0.01 -4.78 105.19 107.76 3ek6 n GLY 53 Ca -0.18 -1.57 0.02 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.12 3.16 0.25 -0.02 0.00 -1.26 -3.65 105.19 103.56 3ek6 n GLY 54 Ca 0.07 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.00 2.00 -0.02 0.00 -1.87 0.45 103.07 103.63 3ek6 h GLY 55 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3ek6 h GLY 55 CO 0.00 0.00 -0.06 3.45 0.00 0.00 0.00 176.54 179.93 3ek6 h ASN 56 N 0.00 0.00 0.00 0.19 -0.00 -1.86 -3.36 115.58 110.55 3ek6 h ASN 56 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 56.30 56.14 3ek6 h ASN 56 Cb 0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.76 3ek6 h ASN 56 CO 0.02 0.06 -1.59 -0.38 -0.00 0.00 0.00 177.43 175.54 3ek6 n ILE 57 N -3.20 0.59 -2.41 6.14 5.41 -0.28 -1.12 119.36 124.49 3ek6 n ILE 57 Ca 0.00 -0.20 -0.43 0.00 1.00 0.00 0.00 62.75 63.12 3ek6 n ILE 57 Cb 0.31 -1.08 0.00 0.00 -0.71 0.00 0.00 39.64 38.16 3ek6 n ILE 57 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 3ek6 n PHE 58 N -2.99 3.95 -4.28 1.39 -0.00 0.14 -4.88 117.46 110.80 3ek6 n PHE 58 Ca -0.19 -2.99 -0.12 0.00 -0.00 0.00 0.00 57.45 54.15 3ek6 n PHE 58 Cb 0.68 -2.29 -0.03 0.00 -0.00 0.00 0.00 39.48 37.84 3ek6 n PHE 58 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3ek6 n ARG 59 N 5.75 1.40 -0.30 -4.13 5.12 -1.26 -4.60 116.66 118.64 3ek6 n ARG 59 Ca 0.44 -1.42 0.04 0.00 -1.93 0.00 0.00 57.85 54.97 3ek6 n ARG 59 Cb 0.41 0.44 -0.02 0.00 -1.16 0.00 0.00 32.46 32.13 3ek6 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ek6 n GLY 60 N 2.39 -2.66 0.16 -0.13 0.00 -1.26 -2.35 105.19 101.34 3ek6 n GLY 60 Ca -0.07 -1.37 0.02 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.29 0.91 -0.01 4.61 0.00 -1.98 -2.00 119.26 120.50 3ek6 h ALA 61 Ca -0.04 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 3ek6 h ALA 61 Cb 0.29 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ek6 h ALA 61 CO 0.02 0.62 -0.62 0.78 0.00 0.00 0.00 179.25 180.05 3ek6 h GLY 62 N 2.21 0.49 0.00 0.00 0.00 -1.99 -3.26 103.07 100.52 3ek6 h GLY 62 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.48 3ek6 h GLY 62 CO 0.06 0.74 -0.07 1.41 0.00 0.00 0.00 176.54 178.69 3ek6 h LEU 63 N -0.05 0.00 -6.59 3.11 3.38 -1.61 -3.40 115.31 110.16 3ek6 h LEU 63 Ca -0.08 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.13 3ek6 h LEU 63 Cb 1.33 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.90 3ek6 h LEU 63 CO 0.12 0.25 1.78 0.00 0.09 0.00 0.00 178.44 180.69 3ek6 n ALA 64 N -2.50 5.26 -1.00 1.53 0.00 -0.75 -4.96 120.51 118.09 3ek6 n ALA 64 Ca -0.01 -4.40 0.00 0.00 0.00 0.00 0.00 53.44 49.03 3ek6 n ALA 64 Cb 0.04 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 16.61 3ek6 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ek6 n ALA 65 N 3.52 0.00 -0.67 0.00 0.00 -1.23 -4.59 120.51 117.54 3ek6 n ALA 65 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3ek6 n ALA 65 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3ek6 n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ek6 n SER 66 N 0.00 0.00 -1.68 0.00 7.64 -1.26 -4.77 113.62 113.54 3ek6 n SER 66 Ca 0.00 -0.14 0.08 0.00 1.01 0.00 0.00 58.87 59.82 3ek6 n SER 66 Cb 0.00 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 63.57 3ek6 n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ek6 n GLY 67 N 0.00 2.96 3.96 0.23 0.00 -1.26 -5.02 105.19 106.06 3ek6 n GLY 67 Ca 0.00 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.34 2.80 0.17 1.61 0.00 -1.26 -5.06 119.30 115.22 3ek6 s MET 68 Ca 0.52 -0.59 -0.30 0.00 0.00 0.00 0.00 55.69 55.32 3ek6 s MET 68 Cb 0.37 -2.50 -0.08 0.00 0.00 0.00 0.00 34.83 32.62 3ek6 s MET 68 CO 0.20 -0.52 1.26 0.34 0.00 0.00 0.00 175.02 176.30 3ek6 s ASP 69 N -4.32 6.98 0.18 -1.18 -1.08 -1.26 -4.95 116.67 111.03 3ek6 s ASP 69 Ca 0.53 2.29 -0.03 0.00 -0.52 0.00 0.00 52.55 54.82 3ek6 s ASP 69 Cb -0.10 -2.60 0.06 0.00 -1.46 0.00 0.00 42.92 38.82 3ek6 s ASP 69 CO 0.39 -0.48 1.45 -0.09 0.52 0.00 0.00 175.17 176.96 3ek6 h ARG 70 N 5.63 0.50 -0.41 4.34 9.65 -1.99 -1.89 114.38 130.20 3ek6 h ARG 70 Ca -0.44 -0.37 -0.06 0.00 -1.10 0.00 0.00 59.98 58.02 3ek6 h ARG 70 Cb 1.21 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.84 3ek6 h ARG 70 CO 0.78 0.99 0.04 0.28 2.80 0.00 0.00 179.97 184.86 3ek6 h VAL 71 N 0.36 1.25 -0.15 0.20 2.07 -1.99 -1.38 116.25 116.61 3ek6 h VAL 71 Ca -0.02 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.61 3ek6 h VAL 71 Cb 1.23 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 3ek6 h VAL 71 CO 0.12 0.32 -0.07 0.74 0.02 0.00 0.00 177.57 178.70 3ek6 h THR 72 N 0.54 0.78 -0.40 2.57 2.02 -1.95 0.11 112.91 116.59 3ek6 h THR 72 Ca 0.12 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.24 3ek6 h THR 72 Cb 0.41 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3ek6 h THR 72 CO 0.01 0.00 -0.03 1.23 0.37 0.00 0.00 175.52 177.11 3ek6 h GLY 73 N -0.05 0.70 1.15 2.16 0.00 -1.28 0.47 103.07 106.22 3ek6 h GLY 73 Ca 0.08 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 3ek6 h GLY 73 CO -0.18 0.42 -0.15 -0.55 0.00 0.00 0.00 176.54 176.08 3ek6 h ASP 74 N 0.61 0.99 -0.71 0.19 3.45 -1.03 0.21 116.42 120.13 3ek6 h ASP 74 Ca 0.12 -0.34 -0.06 0.00 0.43 0.00 0.00 57.03 57.17 3ek6 h ASP 74 Cb 0.43 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.90 3ek6 h ASP 74 CO 0.02 1.13 0.19 0.45 -1.57 0.00 0.00 179.24 179.46 3ek6 h HIS 75 N 0.86 1.17 -0.57 4.55 3.86 0.15 0.07 115.15 125.25 3ek6 h HIS 75 Ca 0.13 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3ek6 h HIS 75 Cb 0.72 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 3ek6 h HIS 75 CO 0.05 0.95 0.08 0.52 0.86 0.00 0.00 177.93 180.38 3ek6 h MET 76 N 1.06 0.91 -0.59 2.45 2.86 0.13 -2.49 114.93 119.27 3ek6 h MET 76 Ca 0.22 -0.22 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 3ek6 h MET 76 Cb 0.35 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3ek6 h MET 76 CO -0.00 0.86 0.02 0.78 1.06 0.00 0.00 176.91 179.63 3ek6 h GLY 77 N 1.01 1.11 0.77 8.32 0.00 -0.63 -2.55 103.07 111.10 3ek6 h GLY 77 Ca 0.18 -0.80 0.03 0.00 0.00 0.00 0.00 47.33 46.74 3ek6 h GLY 77 CO 0.01 0.74 0.09 -0.33 0.00 0.00 0.00 176.54 177.05 3ek6 h MET 78 N 0.92 0.21 -0.82 4.80 2.86 -0.69 -1.23 114.93 120.98 3ek6 h MET 78 Ca 0.17 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3ek6 h MET 78 Cb 0.52 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 3ek6 h MET 78 CO 0.03 0.14 0.54 -0.07 1.06 0.00 0.00 176.91 178.61 3ek6 h LEU 79 N 0.21 0.93 -1.08 1.22 -0.00 -1.42 -2.34 115.31 112.83 3ek6 h LEU 79 Ca 0.12 -0.02 0.07 0.00 -0.00 0.00 0.00 57.88 58.05 3ek6 h LEU 79 Cb 0.09 -0.23 -0.06 0.00 -0.00 0.00 0.00 40.66 40.46 3ek6 h LEU 79 CO -0.13 0.67 0.62 0.00 -0.00 0.00 0.00 178.44 179.60 3ek6 h ALA 80 N 1.31 1.47 0.00 1.53 0.00 -0.96 -0.21 119.26 122.40 3ek6 h ALA 80 Ca 0.30 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3ek6 h ALA 80 Cb -0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3ek6 h ALA 80 CO -0.07 0.38 -0.24 1.79 0.00 0.00 0.00 179.25 181.11 3ek6 h THR 81 N 1.09 1.15 -0.23 0.00 1.35 -0.70 -1.73 112.91 113.84 3ek6 h THR 81 Ca 0.41 -0.84 -0.13 0.00 -0.55 0.00 0.00 66.41 65.30 3ek6 h THR 81 Cb 0.20 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 3ek6 h THR 81 CO -0.16 0.24 -0.37 0.58 -0.25 0.00 0.00 175.52 175.56 3ek6 h VAL 82 N 0.00 1.32 -0.79 6.82 2.07 -0.83 -1.64 116.25 123.19 3ek6 h VAL 82 Ca -0.00 -1.57 0.06 0.00 0.82 0.00 0.00 66.70 66.00 3ek6 h VAL 82 Cb 0.44 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 3ek6 h VAL 82 CO 0.03 0.49 0.48 0.40 0.02 0.00 0.00 177.57 178.99 3ek6 h ILE 83 N 0.36 1.02 -0.49 4.57 2.04 -1.04 0.18 117.51 124.16 3ek6 h ILE 83 Ca 0.02 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 3ek6 h ILE 83 Cb 0.96 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3ek6 h ILE 83 CO 0.08 0.16 0.06 0.78 0.00 0.00 0.00 178.15 179.23 3ek6 h ASN 84 N 0.87 0.79 -0.98 1.72 -0.26 -1.30 -1.98 115.58 114.44 3ek6 h ASN 84 Ca 0.35 -0.27 0.01 0.00 -0.56 0.00 0.00 56.30 55.82 3ek6 h ASN 84 Cb 0.17 -0.21 -0.05 0.00 -1.06 0.00 0.00 38.32 37.17 3ek6 h ASN 84 CO -0.17 0.87 0.65 0.00 -1.06 0.00 0.00 177.43 177.71 3ek6 h ALA 85 N 0.95 1.24 -0.44 -0.83 0.00 -0.78 0.12 119.26 119.53 3ek6 h ALA 85 Ca 0.14 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3ek6 h ALA 85 Cb 0.43 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ek6 h ALA 85 CO 0.01 0.64 0.01 -0.07 0.00 0.00 0.00 179.25 179.84 3ek6 h LEU 86 N 1.33 0.75 -0.03 0.00 4.07 -0.86 -0.36 115.31 120.21 3ek6 h LEU 86 Ca 0.36 -0.30 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 3ek6 h LEU 86 Cb -0.15 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.38 3ek6 h LEU 86 CO -0.08 0.87 0.01 0.00 -1.08 0.00 0.00 178.44 178.16 3ek6 h ALA 87 N 0.91 0.03 -0.62 1.53 0.00 -0.77 -1.58 119.26 118.76 3ek6 h ALA 87 Ca 0.13 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ek6 h ALA 87 Cb 0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3ek6 h ALA 87 CO 0.02 -0.37 0.41 1.98 0.00 0.00 0.00 179.25 181.29 3ek6 h MET 88 N -0.15 0.72 -0.53 0.00 1.85 -0.75 -1.82 114.93 114.25 3ek6 h MET 88 Ca 0.01 -0.04 -0.03 0.00 -0.61 0.00 0.00 59.70 59.03 3ek6 h MET 88 Cb 0.20 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 32.04 3ek6 h MET 88 CO -0.00 0.47 0.23 0.37 -0.40 0.00 0.00 176.91 177.58 3ek6 h GLN 89 N 0.74 0.78 -0.01 0.39 4.15 -0.58 -1.40 115.11 119.18 3ek6 h GLN 89 Ca 0.25 -0.13 -0.17 0.00 0.77 0.00 0.00 58.65 59.36 3ek6 h GLN 89 Cb 0.07 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 3ek6 h GLN 89 CO -0.07 0.67 -0.77 0.38 -1.93 0.00 0.00 178.83 177.11 3ek6 h ASP 90 N 0.71 0.15 -0.49 -0.69 -0.00 -0.58 -1.70 116.42 113.82 3ek6 h ASP 90 Ca 0.18 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.03 57.06 3ek6 h ASP 90 Cb 0.17 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 39.43 3ek6 h ASP 90 CO -0.02 0.86 0.17 0.00 -0.00 0.00 0.00 179.24 180.26 3ek6 h ALA 91 N 1.13 0.64 -0.62 4.15 0.00 -1.15 -1.19 119.26 122.22 3ek6 h ALA 91 Ca -0.02 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3ek6 h ALA 91 Cb 1.36 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3ek6 h ALA 91 CO 0.11 0.28 0.01 -0.07 0.00 0.00 0.00 179.25 179.57 3ek6 h LEU 92 N 0.65 1.06 -1.10 0.00 3.38 -1.17 -3.04 115.31 115.09 3ek6 h LEU 92 Ca 0.16 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 3ek6 h LEU 92 Cb 0.24 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3ek6 h LEU 92 CO -0.01 1.11 -0.34 -0.33 0.09 0.00 0.00 178.44 178.95 3ek6 h GLU 93 N 0.99 0.00 0.00 1.13 5.08 -1.16 -2.34 114.58 118.27 3ek6 h GLU 93 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3ek6 h GLU 93 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3ek6 h GLU 93 CO 0.03 0.34 0.00 1.63 -1.00 0.00 0.00 179.01 180.01 3ek6 n LYS 94 N -3.62 0.59 -0.07 2.33 5.02 -0.46 -2.38 118.16 119.57 3ek6 n LYS 94 Ca -0.01 0.03 0.06 0.00 -2.02 0.00 0.00 58.31 56.37 3ek6 n LYS 94 Cb 0.46 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.05 3ek6 n LYS 94 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3ek6 n LEU 95 N -1.11 2.05 0.00 -0.35 4.32 -0.97 -5.00 117.00 115.94 3ek6 n LEU 95 Ca 0.15 -2.55 0.00 0.00 -0.02 0.00 0.00 56.01 53.59 3ek6 n LEU 95 Cb 0.12 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 3ek6 n LEU 95 CO 0.15 0.60 0.00 0.61 -1.22 0.00 0.00 177.39 177.53 3ek6 n GLY 96 N -1.03 0.66 3.80 -0.72 0.00 -1.00 -5.05 105.19 101.85 3ek6 n GLY 96 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.24 3.42 -0.15 4.61 0.00 -0.92 -5.01 121.76 121.47 3ek6 s ALA 97 Ca 0.00 0.25 -0.24 0.00 0.00 0.00 0.00 51.96 51.97 3ek6 s ALA 97 Cb 0.00 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 3ek6 s ALA 97 CO 0.00 0.31 0.77 0.15 0.00 0.00 0.00 175.76 176.99 3ek6 s LYS 98 N -1.64 4.32 0.14 0.00 1.02 -1.26 -4.19 119.74 118.13 3ek6 s LYS 98 Ca 0.40 0.92 0.06 0.00 0.02 0.00 0.00 55.97 57.37 3ek6 s LYS 98 Cb -0.19 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 3ek6 s LYS 98 CO 0.23 -0.22 -0.13 0.14 -0.92 0.00 0.00 175.35 174.45 3ek6 s VAL 99 N 1.77 1.39 -0.06 3.17 -7.23 -1.26 -0.91 120.40 117.26 3ek6 s VAL 99 Ca 0.37 -1.89 -0.03 0.00 -1.81 0.00 0.00 61.98 58.62 3ek6 s VAL 99 Cb -0.17 -1.71 0.04 0.00 0.56 0.00 0.00 36.38 35.10 3ek6 s VAL 99 CO 0.14 -0.52 0.11 -0.13 -0.31 0.00 0.00 175.10 174.39 3ek6 s ARG 100 N -3.10 -0.00 -0.18 4.82 1.81 -0.28 -4.89 118.95 117.12 3ek6 s ARG 100 Ca 0.13 0.45 -0.18 0.00 -1.72 0.00 0.00 55.73 54.41 3ek6 s ARG 100 Cb -0.02 -0.34 -0.04 0.00 -0.45 0.00 0.00 34.95 34.10 3ek6 s ARG 100 CO 0.03 -0.29 0.48 0.08 -0.68 0.00 0.00 175.30 174.93 3ek6 s VAL 101 N 2.01 5.14 -0.09 3.52 1.01 -1.26 -1.05 120.40 129.69 3ek6 s VAL 101 Ca 0.01 0.89 0.02 0.00 0.00 0.00 0.00 61.98 62.90 3ek6 s VAL 101 Cb -0.12 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3ek6 s VAL 101 CO -0.05 0.22 -0.12 -0.04 0.00 0.00 0.00 175.10 175.12 3ek6 s MET 102 N 1.35 1.82 -0.05 2.72 -1.94 0.11 -1.84 119.30 121.47 3ek6 s MET 102 Ca 0.23 -0.42 -0.02 0.00 -1.71 0.00 0.00 55.69 53.77 3ek6 s MET 102 Cb -0.15 -1.59 -0.04 0.00 2.01 0.00 0.00 34.83 35.07 3ek6 s MET 102 CO 0.09 -0.06 0.05 0.45 -0.01 0.00 0.00 175.02 175.54 3ek6 s SER 103 N 0.97 5.54 0.49 3.03 0.15 0.09 -1.12 113.70 122.85 3ek6 s SER 103 Ca -0.08 0.17 0.28 0.00 0.70 0.00 0.00 55.95 57.02 3ek6 s SER 103 Cb -0.15 -1.59 1.00 0.00 -1.71 0.00 0.00 66.02 63.56 3ek6 s SER 103 CO -0.00 0.33 1.85 0.00 1.20 0.00 0.00 173.24 176.62 3ek6 h ALA 104 N 4.63 0.99 -4.05 5.45 0.00 -1.32 -1.37 119.26 123.60 3ek6 h ALA 104 Ca -0.51 -0.09 -0.69 0.00 0.00 0.00 0.00 54.91 53.63 3ek6 h ALA 104 Cb 1.19 -0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.71 3ek6 h ALA 104 CO 0.58 0.12 -0.80 0.96 0.00 0.00 0.00 179.25 180.12 3ek6 s ILE 105 N -3.56 2.83 -0.10 0.00 -4.36 -1.26 -4.70 121.20 110.05 3ek6 s ILE 105 Ca 0.02 -0.80 -0.29 0.00 -0.26 0.00 0.00 60.65 59.31 3ek6 s ILE 105 Cb 0.09 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 3ek6 s ILE 105 CO 0.60 0.58 1.55 -0.54 0.24 0.00 0.00 174.94 177.37 3ek6 s LYS 106 N -0.56 4.15 -0.43 0.37 1.02 -1.26 -4.90 119.74 118.12 3ek6 s LYS 106 Ca 0.08 1.99 0.02 0.00 0.02 0.00 0.00 55.97 58.08 3ek6 s LYS 106 Cb -0.11 -3.94 0.15 0.00 -0.52 0.00 0.00 37.83 33.41 3ek6 s LYS 106 CO 0.01 -0.86 0.28 0.42 -0.92 0.00 0.00 175.35 174.28 3ek6 s ILE 107 N 4.04 0.90 0.29 2.17 1.01 -1.26 -5.12 121.20 123.23 3ek6 s ILE 107 Ca 0.68 -2.52 -0.28 0.00 0.00 0.00 0.00 60.65 58.54 3ek6 s ILE 107 Cb -0.29 -1.63 -0.14 0.00 0.01 0.00 0.00 42.46 40.41 3ek6 s ILE 107 CO 0.26 -1.03 0.98 0.59 0.00 0.00 0.00 174.94 175.74 3ek6 n ASN 108 N 3.33 1.17 0.00 3.58 4.13 -1.26 -2.43 115.26 123.78 3ek6 n ASN 108 Ca 0.17 1.17 0.00 0.00 1.68 0.00 0.00 54.58 57.60 3ek6 n ASN 108 Cb 0.39 -1.27 0.00 0.00 -1.54 0.00 0.00 39.78 37.36 3ek6 n ASN 108 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3ek6 n ASP 109 N 1.24 0.00 -0.06 6.41 4.64 -1.26 -4.65 116.55 122.87 3ek6 n ASP 109 Ca 0.10 0.00 -0.07 0.00 -1.38 0.00 0.00 54.79 53.44 3ek6 n ASP 109 Cb 0.32 -1.10 -0.08 0.00 -1.04 0.00 0.00 41.12 39.22 3ek6 n ASP 109 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3ek6 n VAL 110 N -2.00 0.76 -3.66 5.18 0.24 -1.02 -5.09 118.33 112.74 3ek6 n VAL 110 Ca 0.00 -0.40 -0.03 0.00 -2.04 0.00 0.00 64.34 61.87 3ek6 n VAL 110 Cb 0.00 -0.82 -0.01 0.00 -1.47 0.00 0.00 33.84 31.54 3ek6 n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ek6 s GLU 112 N -2.93 3.48 0.42 0.00 2.02 -0.77 -4.52 118.70 116.40 3ek6 s GLU 112 Ca 0.11 1.31 -0.23 0.00 0.02 0.00 0.00 54.97 56.18 3ek6 s GLU 112 Cb 0.00 -2.05 -0.09 0.00 0.10 0.00 0.00 34.13 32.09 3ek6 s GLU 112 CO -0.02 -0.69 1.03 -0.51 0.02 0.00 0.00 175.26 175.08 3ek6 s ASP 113 N -2.39 6.70 -0.09 -0.19 1.01 -1.26 -0.73 116.67 119.72 3ek6 s ASP 113 Ca 0.66 1.95 -0.30 0.00 0.71 0.00 0.00 52.55 55.57 3ek6 s ASP 113 Cb -0.17 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.16 3ek6 s ASP 113 CO 0.30 -0.53 1.25 0.12 0.21 0.00 0.00 175.17 176.52 3ek6 s PHE 114 N -1.81 3.00 -0.08 4.23 5.36 -0.52 -4.67 117.98 123.49 3ek6 s PHE 114 Ca 0.60 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 57.65 3ek6 s PHE 114 Cb -0.19 -3.49 0.02 0.00 -0.34 0.00 0.00 43.02 39.03 3ek6 s PHE 114 CO 0.23 -1.62 -0.06 0.42 -1.46 0.00 0.00 175.22 172.73 3ek6 s ILE 115 N 2.78 0.80 0.10 3.12 1.01 -1.26 -5.01 121.20 122.73 3ek6 s ILE 115 Ca 0.56 -0.19 -0.26 0.00 0.00 0.00 0.00 60.65 60.76 3ek6 s ILE 115 Cb -0.24 -0.83 -0.12 0.00 0.01 0.00 0.00 42.46 41.27 3ek6 s ILE 115 CO 0.20 0.31 1.68 -0.09 0.00 0.00 0.00 174.94 177.03 3ek6 h ARG 116 N 7.84 -0.36 -0.89 2.79 2.43 -1.96 0.45 114.38 124.69 3ek6 h ARG 116 Ca -0.29 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 58.98 3ek6 h ARG 116 Cb 1.14 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.71 3ek6 h ARG 116 CO 0.39 -0.24 0.58 0.00 -1.51 0.00 0.00 179.97 179.19 3ek6 h ARG 117 N -0.37 0.93 -0.30 0.20 3.08 -1.97 -1.22 114.38 114.74 3ek6 h ARG 117 Ca 0.00 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 3ek6 h ARG 117 Cb 0.35 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3ek6 h ARG 117 CO -0.04 0.62 -0.10 -0.09 -1.07 0.00 0.00 179.97 179.29 3ek6 h ARG 118 N 0.96 0.59 -0.33 0.04 2.43 -1.86 -2.11 114.38 114.11 3ek6 h ARG 118 Ca 0.39 -0.24 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 3ek6 h ARG 118 Cb 0.27 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 3ek6 h ARG 118 CO -0.15 0.80 0.02 0.00 -1.51 0.00 0.00 179.97 179.13 3ek6 h ALA 119 N 0.77 0.32 -0.18 2.80 0.00 0.18 0.13 119.26 123.28 3ek6 h ALA 119 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ek6 h ALA 119 Cb 0.60 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3ek6 h ALA 119 CO 0.03 -0.38 0.12 0.82 0.00 0.00 0.00 179.25 179.84 3ek6 h ILE 120 N 0.13 1.04 -0.76 0.00 2.04 -1.30 -2.16 117.51 116.50 3ek6 h ILE 120 Ca 0.16 -0.08 0.14 0.00 1.00 0.00 0.00 64.86 66.08 3ek6 h ILE 120 Cb 0.21 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3ek6 h ILE 120 CO -0.25 0.04 0.50 -0.09 0.00 0.00 0.00 178.15 178.36 3ek6 h ARG 121 N 0.24 0.44 -0.11 2.37 2.43 -0.76 -1.79 114.38 117.20 3ek6 h ARG 121 Ca 0.07 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3ek6 h ARG 121 Cb -0.02 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3ek6 h ARG 121 CO -0.02 0.29 -0.05 0.45 -1.51 0.00 0.00 179.97 179.13 3ek6 h HIS 122 N 0.46 0.27 -0.71 2.20 3.86 -0.30 -3.20 115.15 117.73 3ek6 h HIS 122 Ca 0.37 -0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.53 3ek6 h HIS 122 Cb 0.79 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 29.16 3ek6 h HIS 122 CO -0.00 0.58 0.46 -0.07 0.86 0.00 0.00 177.93 179.76 3ek6 h LEU 123 N -0.12 0.78 0.00 2.43 -0.00 -0.72 -1.43 115.31 116.25 3ek6 h LEU 123 Ca 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3ek6 h LEU 123 Cb 0.51 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 3ek6 h LEU 123 CO 0.02 0.56 0.00 -1.84 -0.00 0.00 0.00 178.44 177.18 3ek6 n GLU 124 N -4.62 0.66 0.00 1.13 0.28 -0.83 -1.09 120.64 116.18 3ek6 n GLU 124 Ca 0.07 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.18 3ek6 n GLU 124 Cb 0.04 -1.41 0.00 0.00 1.43 0.00 0.00 31.44 31.50 3ek6 n GLU 124 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3ek6 n LYS 125 N -0.91 0.50 -0.29 3.44 4.76 -0.56 -4.96 118.16 120.15 3ek6 n LYS 125 Ca 0.13 -0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.17 3ek6 n LYS 125 Cb 0.06 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 3ek6 n LYS 125 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ek6 n GLY 126 N 1.46 0.85 3.79 0.72 0.00 -0.25 -5.07 105.19 106.69 3ek6 n GLY 126 Ca 0.07 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.69 4.50 -0.06 1.61 0.52 -1.09 -4.71 118.95 119.02 3ek6 s ARG 127 Ca 0.00 1.11 -0.21 0.00 -0.52 0.00 0.00 55.73 56.11 3ek6 s ARG 127 Cb 0.00 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.31 3ek6 s ARG 127 CO 0.00 0.50 0.60 0.96 0.02 0.00 0.00 175.30 177.38 3ek6 s ILE 128 N -1.29 5.04 -0.17 1.52 -4.36 -0.09 -4.19 121.20 117.65 3ek6 s ILE 128 Ca 0.39 1.23 -0.09 0.00 -0.26 0.00 0.00 60.65 61.92 3ek6 s ILE 128 Cb -0.21 -3.94 -0.05 0.00 1.25 0.00 0.00 42.46 39.52 3ek6 s ILE 128 CO 0.25 0.33 0.14 0.00 0.24 0.00 0.00 174.94 175.90 3ek6 s ALA 129 N 0.41 3.74 -0.14 2.27 0.00 -0.70 -1.13 121.76 126.21 3ek6 s ALA 129 Ca 0.32 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.64 3ek6 s ALA 129 Cb -0.17 -2.12 0.01 0.00 0.00 0.00 0.00 23.12 20.84 3ek6 s ALA 129 CO 0.15 0.29 -0.19 0.42 0.00 0.00 0.00 175.76 176.44 3ek6 s ILE 130 N -0.05 1.84 -0.11 0.00 1.01 -0.21 -0.26 121.20 123.41 3ek6 s ILE 130 Ca 0.11 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 3ek6 s ILE 130 Cb -0.11 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 3ek6 s ILE 130 CO 0.00 0.51 -0.01 -0.36 0.00 0.00 0.00 174.94 175.08 3ek6 s PHE 131 N 1.02 3.11 0.19 3.97 0.08 -0.57 0.08 117.98 125.86 3ek6 s PHE 131 Ca -0.03 0.03 0.05 0.00 0.12 0.00 0.00 56.93 57.10 3ek6 s PHE 131 Cb -0.15 -1.86 -0.05 0.00 -0.57 0.00 0.00 43.02 40.40 3ek6 s PHE 131 CO -0.05 0.29 -0.09 0.00 -0.10 0.00 0.00 175.22 175.26 3ek6 s ALA 132 N -0.40 1.73 -0.13 5.36 0.00 -0.27 -4.41 121.76 123.63 3ek6 s ALA 132 Ca 0.07 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.42 3ek6 s ALA 132 Cb -0.12 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3ek6 s ALA 132 CO 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 175.76 175.71 3ek6 n ALA 133 N -0.31 -0.02 -0.78 0.00 0.00 -1.26 -1.01 120.51 117.13 3ek6 n ALA 133 Ca -0.08 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3ek6 n ALA 133 Cb 0.61 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.00 3.90 0.19 0.00 0.00 -1.26 -0.78 105.19 105.23 3ek6 n GLY 134 Ca -0.01 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 0.09 0.00 2.61 2.02 -1.88 -3.42 112.91 112.34 3ek6 h THR 135 Ca 0.00 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.04 3ek6 h THR 135 Cb 0.00 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3ek6 h THR 135 CO 0.00 0.05 0.00 0.61 0.37 0.00 0.00 175.52 176.55 3ek6 n GLY 136 N 1.14 1.13 3.36 2.16 0.00 0.04 -4.97 105.19 108.05 3ek6 n GLY 136 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.92 3.22 0.81 1.61 0.01 -1.26 -4.92 114.94 111.49 3ek6 s ASN 137 Ca 0.00 -0.62 -0.11 0.00 -0.71 0.00 0.00 52.86 51.42 3ek6 s ASN 137 Cb 0.00 -0.29 0.08 0.00 0.41 0.00 0.00 41.25 41.45 3ek6 s ASN 137 CO 0.00 0.24 1.09 -2.16 -1.51 0.00 0.00 177.10 174.76 3ek6 s PRO 138 N -1.42 2.00 -0.01 -0.60 0.04 -1.26 -3.90 135.00 129.85 3ek6 s PRO 138 Ca 0.12 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.04 3ek6 s PRO 138 Cb -0.10 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3ek6 s PRO 138 CO 0.03 -1.74 0.00 1.19 0.04 0.00 0.00 177.00 176.52 3ek6 n PHE 139 N -3.55 0.00 -4.88 0.56 3.72 -1.26 -5.01 117.46 107.04 3ek6 n PHE 139 Ca 0.08 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.19 3ek6 n PHE 139 Cb 0.55 -0.23 -0.15 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.91 2.17 0.60 1.38 0.08 -1.25 -5.13 117.98 113.92 3ek6 s PHE 140 Ca 0.00 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.57 3ek6 s PHE 140 Cb 0.00 -1.31 -0.00 0.00 -0.57 0.00 0.00 43.02 41.14 3ek6 s PHE 140 CO 0.00 0.10 0.95 -0.08 -0.10 0.00 0.00 175.22 176.08 3ek6 s THR 141 N -0.77 3.98 0.22 0.64 -1.32 -1.26 -4.94 115.64 112.19 3ek6 s THR 141 Ca 0.10 0.28 -0.08 0.00 -1.21 0.00 0.00 61.69 60.78 3ek6 s THR 141 Cb -0.10 -3.59 0.17 0.00 -1.51 0.00 0.00 72.50 67.48 3ek6 s THR 141 CO 0.02 -0.67 1.82 0.74 -2.21 0.00 0.00 174.62 174.32 3ek6 h THR 142 N -0.25 1.25 -0.78 5.08 2.02 -2.00 -2.51 112.91 115.72 3ek6 h THR 142 Ca -0.45 -0.67 0.09 0.00 0.77 0.00 0.00 66.41 66.14 3ek6 h THR 142 Cb 1.24 0.17 -0.07 0.00 -1.74 0.00 0.00 68.15 67.75 3ek6 h THR 142 CO 0.62 0.29 0.44 0.44 0.37 0.00 0.00 175.52 177.68 3ek6 h ASP 143 N 1.16 0.63 -0.51 4.18 3.32 -1.99 0.25 116.42 123.47 3ek6 h ASP 143 Ca 0.29 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.41 3ek6 h ASP 143 Cb 0.08 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3ek6 h ASP 143 CO -0.04 0.37 0.30 0.28 -1.72 0.00 0.00 179.24 178.43 3ek6 h SER 144 N 0.76 0.47 -0.25 6.45 0.02 -1.81 0.22 113.55 119.42 3ek6 h SER 144 Ca 0.37 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.34 3ek6 h SER 144 Cb 0.32 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3ek6 h SER 144 CO -0.23 0.33 0.15 1.23 -1.14 0.00 0.00 176.83 177.17 3ek6 h GLY 145 N 0.59 0.34 0.97 -3.77 0.00 -0.98 0.17 103.07 100.38 3ek6 h GLY 145 Ca 0.21 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.43 3ek6 h GLY 145 CO -0.10 0.10 0.20 0.00 0.00 0.00 0.00 176.54 176.74 3ek6 h ALA 146 N 1.11 0.41 -0.43 3.60 0.00 -0.60 0.03 119.26 123.36 3ek6 h ALA 146 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ek6 h ALA 146 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3ek6 h ALA 146 CO -0.04 -0.15 0.26 0.00 0.00 0.00 0.00 179.25 179.32 3ek6 h ALA 147 N 1.13 0.55 -0.40 0.00 0.00 -0.26 0.72 119.26 121.00 3ek6 h ALA 147 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ek6 h ALA 147 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3ek6 h ALA 147 CO -0.04 0.04 0.16 1.25 0.00 0.00 0.00 179.25 180.66 3ek6 h LEU 148 N 0.57 0.56 -0.53 0.00 6.46 -0.42 -1.65 115.31 120.30 3ek6 h LEU 148 Ca 0.16 -0.17 -0.12 0.00 -0.12 0.00 0.00 57.88 57.63 3ek6 h LEU 148 Cb -0.00 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.77 3ek6 h LEU 148 CO -0.03 0.58 -0.13 0.03 -0.62 0.00 0.00 178.44 178.27 3ek6 h ARG 149 N 0.50 1.02 -0.77 1.25 2.47 -0.87 -0.59 114.38 117.39 3ek6 h ARG 149 Ca 0.13 -0.39 0.05 0.00 -1.26 0.00 0.00 59.98 58.51 3ek6 h ARG 149 Cb 0.20 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.41 3ek6 h ARG 149 CO -0.01 1.08 0.47 0.00 0.56 0.00 0.00 179.97 182.07 3ek6 h ALA 150 N 0.91 1.04 -0.20 0.04 0.00 -0.68 -1.70 119.26 118.67 3ek6 h ALA 150 Ca 0.13 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3ek6 h ALA 150 Cb 0.70 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ek6 h ALA 150 CO 0.05 0.22 -0.20 0.82 0.00 0.00 0.00 179.25 180.14 3ek6 h ILE 151 N 0.89 1.33 -0.87 0.00 2.04 -1.21 -0.34 117.51 119.34 3ek6 h ILE 151 Ca 0.33 -1.37 0.04 0.00 1.00 0.00 0.00 64.86 64.86 3ek6 h ILE 151 Cb 0.11 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 3ek6 h ILE 151 CO -0.15 0.42 0.57 -0.33 0.00 0.00 0.00 178.15 178.66 3ek6 h GLU 152 N 0.16 1.03 -0.01 2.37 5.08 -0.82 -2.13 114.58 120.26 3ek6 h GLU 152 Ca 0.03 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3ek6 h GLU 152 Cb 0.75 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3ek6 h GLU 152 CO 0.05 0.68 -0.01 0.44 -1.00 0.00 0.00 179.01 179.18 3ek6 n ILE 153 N -4.46 0.00 -3.07 3.13 -5.35 -0.66 -4.93 119.36 104.03 3ek6 n ILE 153 Ca 0.12 -0.20 -0.17 0.00 -0.27 0.00 0.00 62.75 62.23 3ek6 n ILE 153 Cb 0.13 0.32 0.04 0.00 -1.74 0.00 0.00 39.64 38.39 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 1.15 -0.14 3.76 3.28 0.00 -0.80 -4.95 105.19 107.48 3ek6 n GLY 154 Ca 0.20 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.12 2.62 -0.34 4.61 0.00 -0.15 -4.92 121.76 120.46 3ek6 s ALA 155 Ca 0.33 1.03 0.23 0.00 0.00 0.00 0.00 51.96 53.54 3ek6 s ALA 155 Cb -0.14 -3.45 0.15 0.00 0.00 0.00 0.00 23.12 19.67 3ek6 s ALA 155 CO 0.41 -1.11 1.26 -0.44 0.00 0.00 0.00 175.76 175.88 3ek6 h ASP 156 N 1.08 0.00 -3.10 0.00 3.32 -0.24 -3.46 116.42 114.02 3ek6 h ASP 156 Ca -0.50 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.41 3ek6 h ASP 156 Cb 1.29 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.57 3ek6 h ASP 156 CO 0.56 0.01 -0.34 -0.22 -1.72 0.00 0.00 179.24 177.52 3ek6 s LEU 157 N -5.55 -0.14 -0.32 1.55 0.20 -1.21 -4.44 118.68 108.77 3ek6 s LEU 157 Ca 0.03 0.85 -0.13 0.00 0.69 0.00 0.00 54.13 55.57 3ek6 s LEU 157 Cb 0.08 1.25 -0.03 0.00 -0.43 0.00 0.00 46.19 47.06 3ek6 s LEU 157 CO 0.74 -0.20 0.28 -0.22 -0.29 0.00 0.00 176.35 176.66 3ek6 s LEU 158 N 1.64 4.30 -0.09 -0.68 0.20 -0.52 -1.22 118.68 122.31 3ek6 s LEU 158 Ca -0.08 -0.16 -0.11 0.00 0.69 0.00 0.00 54.13 54.48 3ek6 s LEU 158 Cb -0.09 -2.23 -0.05 0.00 -0.43 0.00 0.00 46.19 43.39 3ek6 s LEU 158 CO -0.12 -0.21 0.25 -0.76 -0.29 0.00 0.00 176.35 175.22 3ek6 s LEU 159 N 1.87 4.39 -0.26 -0.68 1.02 0.04 -0.58 118.68 124.47 3ek6 s LEU 159 Ca 0.09 0.63 0.01 0.00 0.02 0.00 0.00 54.13 54.88 3ek6 s LEU 159 Cb -0.17 -2.28 0.07 0.00 0.02 0.00 0.00 46.19 43.83 3ek6 s LEU 159 CO 0.11 0.33 -0.02 -0.75 0.02 0.00 0.00 176.35 176.04 3ek6 s LYS 160 N -0.77 1.49 0.08 1.70 2.20 0.65 -0.77 119.74 124.33 3ek6 s LYS 160 Ca 0.18 -1.16 -0.28 0.00 -0.36 0.00 0.00 55.97 54.35 3ek6 s LYS 160 Cb -0.14 -2.62 -0.06 0.00 -1.51 0.00 0.00 37.83 33.51 3ek6 s LYS 160 CO 0.07 -0.71 0.86 0.00 -0.36 0.00 0.00 175.35 175.22 3ek6 s ALA 161 N 1.33 3.31 0.26 3.13 0.00 -0.81 -2.32 121.76 126.66 3ek6 s ALA 161 Ca -0.01 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.39 3ek6 s ALA 161 Cb -0.19 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3ek6 s ALA 161 CO -0.09 0.03 0.24 0.95 0.00 0.00 0.00 175.76 176.89 3ek6 s THR 162 N -0.09 0.00 0.14 0.00 -4.23 -0.63 -4.47 115.64 106.36 3ek6 s THR 162 Ca 0.43 -1.92 -0.18 0.00 -1.18 0.00 0.00 61.69 58.84 3ek6 s THR 162 Cb -0.22 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 3ek6 s THR 162 CO 0.27 0.00 1.77 0.11 -0.54 0.00 0.00 174.62 176.23 3ek6 h LYS 163 N 2.38 0.30 -5.96 3.99 1.79 -1.97 -3.40 116.57 113.70 3ek6 h LYS 163 Ca -0.31 -0.02 -0.61 0.00 -2.18 0.00 0.00 60.65 57.54 3ek6 h LYS 163 Cb 1.24 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 31.77 3ek6 h LYS 163 CO 0.45 0.20 -0.20 0.54 -1.08 0.00 0.00 179.45 179.35 3ek6 s VAL 164 N -6.17 5.05 0.00 0.50 0.11 -1.26 -4.91 120.40 113.72 3ek6 s VAL 164 Ca -0.13 0.84 -0.02 0.00 -2.93 0.00 0.00 61.98 59.73 3ek6 s VAL 164 Cb 0.10 -3.72 -0.11 0.00 -1.53 0.00 0.00 36.38 31.12 3ek6 s VAL 164 CO 0.70 0.55 2.35 -0.67 -3.33 0.00 0.00 175.10 174.70 3ek6 n ASP 165 N 2.06 4.31 0.00 3.54 -0.08 -1.26 -4.22 116.55 120.91 3ek6 n ASP 165 Ca -0.13 -2.22 0.00 0.00 -1.51 0.00 0.00 54.79 50.92 3ek6 n ASP 165 Cb 0.52 -1.04 0.00 0.00 2.34 0.00 0.00 41.12 42.94 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 2.10 0.30 3.54 0.27 0.00 -1.25 -4.19 105.19 105.96 3ek6 n GLY 166 Ca 0.18 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.57 4.33 0.17 1.61 1.01 -1.26 -4.87 120.40 118.82 3ek6 s VAL 167 Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 61.87 3ek6 s VAL 167 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3ek6 s VAL 167 CO 0.00 0.44 -0.03 -0.31 0.00 0.00 0.00 175.10 175.20 3ek6 s TYR 168 N 0.68 2.77 -0.33 5.22 1.51 -1.26 -2.16 117.35 123.78 3ek6 s TYR 168 Ca 0.01 -0.16 0.25 0.00 -1.01 0.00 0.00 57.07 56.16 3ek6 s TYR 168 Cb -0.14 -1.35 1.10 0.00 -0.11 0.00 0.00 41.96 41.46 3ek6 s TYR 168 CO 0.02 0.51 1.76 0.38 -1.11 0.00 0.00 175.55 177.12 3ek6 h ASP 169 N 2.80 0.00 -5.02 2.29 3.04 -1.73 -3.46 116.42 114.34 3ek6 h ASP 169 Ca -0.47 0.00 0.15 0.00 -3.24 0.00 0.00 57.03 53.47 3ek6 h ASP 169 Cb 1.20 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 39.38 3ek6 h ASP 169 CO 0.57 0.00 0.49 -0.75 -2.04 0.00 0.00 179.24 177.51 3ek6 s LYS 170 N -3.42 1.00 -0.20 4.15 2.20 -1.26 -5.01 119.74 117.20 3ek6 s LYS 170 Ca 0.03 -0.48 -0.29 0.00 -0.36 0.00 0.00 55.97 54.87 3ek6 s LYS 170 Cb 0.09 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.76 3ek6 s LYS 170 CO 0.39 -0.45 1.96 0.34 -0.36 0.00 0.00 175.35 177.23 3ek6 s ASP 171 N -2.73 5.90 0.00 1.43 -1.08 -1.26 -4.80 116.67 114.13 3ek6 s ASP 171 Ca 0.09 1.83 0.30 0.00 -0.52 0.00 0.00 52.55 54.25 3ek6 s ASP 171 Cb -0.01 -2.52 1.49 0.00 -1.46 0.00 0.00 42.92 40.41 3ek6 s ASP 171 CO -0.03 -1.61 2.03 -0.81 0.52 0.00 0.00 175.17 175.26 3ek6 n PRO 172 N 8.26 0.51 0.01 4.34 -0.04 -1.26 0.44 135.00 147.27 3ek6 n PRO 172 Ca 0.24 -0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 3ek6 n PRO 172 Cb 0.45 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 3ek6 n PRO 172 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ek6 n LYS 173 N -1.20 0.27 0.00 0.54 5.02 -1.26 -4.37 118.16 117.15 3ek6 n LYS 173 Ca 0.15 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3ek6 n LYS 173 Cb 0.24 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3ek6 n LYS 173 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ek6 n LYS 174 N -1.89 1.94 -3.38 1.97 5.02 -1.07 -4.93 118.16 115.83 3ek6 n LYS 174 Ca 0.01 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.06 3ek6 n LYS 174 Cb 0.43 -0.82 -0.10 0.00 -0.02 0.00 0.00 35.03 34.52 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 -1.50 0.48 0.73 2.13 3.76 0.17 -5.05 115.29 116.02 3ek6 s HIS 175 Ca 0.00 -1.62 -0.16 0.00 -0.15 0.00 0.00 55.06 53.13 3ek6 s HIS 175 Cb 0.00 -0.73 -0.04 0.00 1.11 0.00 0.00 32.58 32.92 3ek6 s HIS 175 CO 0.00 -0.88 0.50 0.45 -0.85 0.00 0.00 174.74 173.95 3ek6 n SER 176 N 3.64 -1.33 0.00 1.40 2.88 -1.26 -2.35 113.62 116.60 3ek6 n SER 176 Ca 0.18 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 3ek6 n SER 176 Cb 0.43 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 3ek6 n SER 176 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3ek6 n ASP 177 N -0.26 0.00 -4.73 -3.46 -0.08 -1.26 -5.04 116.55 101.71 3ek6 n ASP 177 Ca 0.10 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.96 3ek6 n ASP 177 Cb 0.50 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.94 3ek6 n ASP 177 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ek6 s ALA 178 N -2.51 3.84 0.12 -1.67 0.00 -0.99 -5.01 121.76 115.54 3ek6 s ALA 178 Ca 0.00 1.56 0.05 0.00 0.00 0.00 0.00 51.96 53.57 3ek6 s ALA 178 Cb 0.00 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3ek6 s ALA 178 CO 0.00 -0.93 0.02 0.14 0.00 0.00 0.00 175.76 174.99 3ek6 s VAL 179 N 0.64 4.05 -0.14 0.00 -7.23 -1.26 -4.95 120.40 111.52 3ek6 s VAL 179 Ca 0.69 -1.08 -0.16 0.00 -1.81 0.00 0.00 61.98 59.61 3ek6 s VAL 179 Cb -0.48 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 3ek6 s VAL 179 CO 0.39 0.04 0.40 -0.60 -0.31 0.00 0.00 175.10 175.02 3ek6 s ARG 180 N -2.56 4.31 0.25 4.82 3.52 -1.26 -1.85 118.95 126.17 3ek6 s ARG 180 Ca 0.27 0.30 -0.30 0.00 -0.13 0.00 0.00 55.73 55.87 3ek6 s ARG 180 Cb -0.11 -3.43 -0.10 0.00 -1.56 0.00 0.00 34.95 29.75 3ek6 s ARG 180 CO 0.19 0.19 1.39 0.71 -0.81 0.00 0.00 175.30 176.97 3ek6 s TYR 181 N 0.56 3.08 0.07 5.12 1.51 -0.92 -4.93 117.35 121.84 3ek6 s TYR 181 Ca 0.22 1.13 0.06 0.00 -1.01 0.00 0.00 57.07 57.47 3ek6 s TYR 181 Cb -0.14 -3.75 -0.23 0.00 -0.11 0.00 0.00 41.96 37.73 3ek6 s TYR 181 CO 0.07 -2.36 1.11 -0.44 -1.11 0.00 0.00 175.55 172.82 3ek6 h ASP 182 N 4.84 0.07 -2.47 2.29 3.32 -1.91 -3.38 116.42 119.18 3ek6 h ASP 182 Ca -0.46 -0.09 0.05 0.00 0.02 0.00 0.00 57.03 56.55 3ek6 h ASP 182 Cb 1.22 -0.02 -0.21 0.00 0.22 0.00 0.00 39.33 40.54 3ek6 h ASP 182 CO 0.76 1.07 -0.07 -0.44 -1.72 0.00 0.00 179.24 178.83 3ek6 s SER 183 N -6.65 -1.03 0.08 6.45 0.01 -1.26 -2.33 113.70 108.98 3ek6 s SER 183 Ca -0.01 1.53 0.06 0.00 1.31 0.00 0.00 55.95 58.83 3ek6 s SER 183 Cb 0.09 1.85 -0.03 0.00 0.21 0.00 0.00 66.02 68.14 3ek6 s SER 183 CO 0.83 -0.23 -0.16 -0.76 0.41 0.00 0.00 173.24 173.33 3ek6 s LEU 184 N 2.31 2.29 0.73 2.44 1.43 -0.53 -4.99 118.68 122.36 3ek6 s LEU 184 Ca -0.08 -0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 52.29 3ek6 s LEU 184 Cb -0.09 -0.64 0.06 0.00 0.03 0.00 0.00 46.19 45.55 3ek6 s LEU 184 CO -0.19 -0.03 1.06 0.42 0.23 0.00 0.00 176.35 177.83 3ek6 s THR 185 N -1.28 2.37 0.25 5.49 -4.23 -1.26 -1.65 115.64 115.34 3ek6 s THR 185 Ca 0.01 -0.13 -0.05 0.00 -1.18 0.00 0.00 61.69 60.35 3ek6 s THR 185 Cb -0.10 -3.06 0.20 0.00 1.34 0.00 0.00 72.50 70.88 3ek6 s THR 185 CO 0.03 -0.07 1.86 1.88 -0.54 0.00 0.00 174.62 177.78 3ek6 h TYR 186 N -0.70 1.12 -0.03 3.99 -1.99 -1.60 -2.26 116.97 115.49 3ek6 h TYR 186 Ca -0.45 -0.04 -0.19 0.00 2.00 0.00 0.00 58.73 60.05 3ek6 h TYR 186 Cb 1.31 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 39.68 3ek6 h TYR 186 CO 0.35 0.80 -0.80 -0.44 -0.00 0.00 0.00 178.16 178.06 3ek6 h ASP 187 N 1.12 0.39 0.03 3.88 3.32 -1.94 -2.25 116.42 120.97 3ek6 h ASP 187 Ca 0.28 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3ek6 h ASP 187 Cb 0.08 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 3ek6 h ASP 187 CO -0.04 1.04 -0.39 -0.08 -1.72 0.00 0.00 179.24 178.05 3ek6 h GLU 188 N 0.20 -0.55 -0.27 3.56 4.57 -1.84 -1.31 114.58 118.94 3ek6 h GLU 188 Ca -0.04 0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 3ek6 h GLU 188 Cb 1.40 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 30.04 3ek6 h GLU 188 CO 0.13 -0.36 -0.21 0.28 -1.18 0.00 0.00 179.01 177.66 3ek6 h VAL 189 N -0.57 0.43 -0.98 0.32 2.07 -1.30 -0.63 116.25 115.59 3ek6 h VAL 189 Ca 0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.63 3ek6 h VAL 189 Cb 0.63 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 3ek6 h VAL 189 CO -0.28 0.00 0.63 0.40 0.02 0.00 0.00 177.57 178.34 3ek6 h ILE 190 N -0.20 1.08 0.05 4.57 2.04 -1.13 -2.57 117.51 121.34 3ek6 h ILE 190 Ca 0.15 -0.39 -0.24 0.00 1.00 0.00 0.00 64.86 65.38 3ek6 h ILE 190 Cb 0.43 -0.15 0.02 0.00 -0.74 0.00 0.00 36.82 36.38 3ek6 h ILE 190 CO -0.39 0.21 -0.98 0.24 0.00 0.00 0.00 178.15 177.22 3ek6 h MET 191 N 1.13 0.58 0.00 2.37 2.86 -0.79 -3.22 114.93 117.86 3ek6 h MET 191 Ca 0.42 -0.69 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3ek6 h MET 191 Cb 0.19 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3ek6 h MET 191 CO -0.17 1.29 0.00 1.04 1.06 0.00 0.00 176.91 180.13 3ek6 n GLN 192 N -3.95 0.74 -2.39 1.72 3.00 -0.28 -4.86 117.38 111.35 3ek6 n GLN 192 Ca -0.12 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.69 3ek6 n GLN 192 Cb 0.86 -1.49 -0.01 0.00 0.00 0.00 0.00 30.24 29.60 3ek6 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ek6 n GLY 193 N 0.47 -0.44 3.73 1.08 0.00 -0.99 -4.94 105.19 104.09 3ek6 n GLY 193 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.87 4.47 -0.25 0.99 1.43 -1.06 -5.01 118.68 113.38 3ek6 s LEU 194 Ca 0.00 1.88 -0.22 0.00 -1.03 0.00 0.00 54.13 54.77 3ek6 s LEU 194 Cb 0.00 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 3ek6 s LEU 194 CO 0.00 -0.17 0.70 -1.61 0.23 0.00 0.00 176.35 175.50 3ek6 s GLU 195 N 0.11 4.12 0.13 1.70 2.02 -1.26 -4.79 118.70 120.74 3ek6 s GLU 195 Ca 0.49 0.67 0.00 0.00 0.02 0.00 0.00 54.97 56.15 3ek6 s GLU 195 Cb -0.25 -3.65 0.00 0.00 0.10 0.00 0.00 34.13 30.32 3ek6 s GLU 195 CO 0.31 -0.46 0.00 0.28 0.02 0.00 0.00 175.26 175.41 3ek6 n VAL 196 N 5.23 1.06 -4.22 2.63 0.31 -1.26 -5.03 118.33 117.04 3ek6 n VAL 196 Ca 0.01 0.35 -0.13 0.00 -0.01 0.00 0.00 64.34 64.57 3ek6 n VAL 196 Cb 0.48 -1.43 -0.10 0.00 -0.91 0.00 0.00 33.84 31.89 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 -2.00 1.08 0.90 5.55 -1.94 -1.26 -5.12 119.30 116.51 3ek6 s MET 197 Ca 0.00 -1.52 -0.11 0.00 -1.71 0.00 0.00 55.69 52.35 3ek6 s MET 197 Cb 0.00 -0.14 0.10 0.00 2.01 0.00 0.00 34.83 36.80 3ek6 s MET 197 CO 0.00 -0.17 0.93 -0.40 -0.01 0.00 0.00 175.02 175.37 3ek6 n ASP 198 N -0.21 -0.29 0.10 3.03 5.68 -1.26 -4.63 116.55 118.96 3ek6 n ASP 198 Ca -0.06 0.43 -0.15 0.00 -0.50 0.00 0.00 54.79 54.51 3ek6 n ASP 198 Cb 0.63 -1.40 -0.08 0.00 -1.14 0.00 0.00 41.12 39.14 3ek6 n ASP 198 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3ek6 h THR 199 N -1.60 0.10 -0.41 2.12 2.02 -2.01 -1.08 112.91 112.05 3ek6 h THR 199 Ca -0.44 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.82 3ek6 h THR 199 Cb 1.28 0.10 -0.08 0.00 -1.74 0.00 0.00 68.15 67.71 3ek6 h THR 199 CO 0.40 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 176.19 3ek6 h ALA 200 N -0.27 0.27 -0.68 6.16 0.00 -1.99 0.21 119.26 122.97 3ek6 h ALA 200 Ca 0.02 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3ek6 h ALA 200 Cb 0.71 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3ek6 h ALA 200 CO -0.28 -0.45 0.37 0.00 0.00 0.00 0.00 179.25 178.89 3ek6 h ALA 201 N 1.40 0.87 -0.45 0.00 0.00 -1.83 -0.92 119.26 118.33 3ek6 h ALA 201 Ca 0.20 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3ek6 h ALA 201 Cb 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ek6 h ALA 201 CO -0.41 0.38 -0.09 0.35 0.00 0.00 0.00 179.25 179.47 3ek6 h PHE 202 N 0.93 0.97 -0.75 0.00 3.57 -0.86 -2.28 116.94 118.52 3ek6 h PHE 202 Ca 0.24 -0.20 0.02 0.00 3.53 0.00 0.00 57.97 61.56 3ek6 h PHE 202 Cb 0.04 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 3ek6 h PHE 202 CO -0.01 0.95 0.48 0.00 -2.23 0.00 0.00 178.31 177.51 3ek6 h ALA 203 N 0.88 0.97 0.33 2.41 0.00 -0.17 1.00 119.26 124.68 3ek6 h ALA 203 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ek6 h ALA 203 Cb 0.63 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ek6 h ALA 203 CO 0.04 0.31 -0.25 1.25 0.00 0.00 0.00 179.25 180.60 3ek6 h LEU 204 N 0.96 -0.65 -0.58 0.00 6.46 -1.08 -1.18 115.31 119.25 3ek6 h LEU 204 Ca 0.29 0.05 0.04 0.00 -0.12 0.00 0.00 57.88 58.14 3ek6 h LEU 204 Cb -0.04 0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 3ek6 h LEU 204 CO -0.09 -0.38 0.33 0.00 -0.62 0.00 0.00 178.44 177.68 3ek6 h ALA 205 N 0.02 0.76 -0.61 1.25 0.00 -1.10 -2.93 119.26 116.64 3ek6 h ALA 205 Ca -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ek6 h ALA 205 Cb 0.51 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3ek6 h ALA 205 CO -0.00 0.02 0.33 -0.09 0.00 0.00 0.00 179.25 179.50 3ek6 h ARG 206 N 0.63 0.86 0.00 0.00 2.43 -0.62 -0.61 114.38 117.07 3ek6 h ARG 206 Ca 0.25 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3ek6 h ARG 206 Cb 0.10 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3ek6 h ARG 206 CO -0.14 0.67 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.48 3ek6 h ASP 207 N 0.83 0.00 -0.43 -3.80 5.19 -1.04 -1.53 116.42 115.66 3ek6 h ASP 207 Ca 0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 3ek6 h ASP 207 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 3ek6 h ASP 207 CO -0.03 0.06 0.00 -1.20 -3.12 0.00 0.00 179.24 174.95 3ek6 n SER 208 N -3.42 3.17 -3.98 6.45 7.64 -1.04 -4.98 113.62 117.46 3ek6 n SER 208 Ca -0.02 -1.95 -0.26 0.00 1.01 0.00 0.00 58.87 57.65 3ek6 n SER 208 Cb 0.20 -0.28 -0.02 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.93 -0.57 -4.64 6.43 4.64 -0.56 -4.89 116.55 117.89 3ek6 n ASP 209 Ca 0.15 -1.01 -0.43 0.00 -1.38 0.00 0.00 54.79 52.13 3ek6 n ASP 209 Cb 0.48 -3.03 -0.02 0.00 -1.04 0.00 0.00 41.12 37.51 3ek6 n ASP 209 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3ek6 s LEU 210 N -7.00 4.00 0.26 -2.67 0.20 -0.34 -4.88 118.68 108.24 3ek6 s LEU 210 Ca 0.07 1.71 -0.30 0.00 0.69 0.00 0.00 54.13 56.29 3ek6 s LEU 210 Cb -0.04 -3.53 -0.11 0.00 -0.43 0.00 0.00 46.19 42.08 3ek6 s LEU 210 CO 0.89 -1.14 1.56 -2.84 -0.29 0.00 0.00 176.35 174.53 3ek6 s PRO 211 N 4.42 4.17 -0.16 0.98 0.02 -1.26 -4.77 135.00 138.40 3ek6 s PRO 211 Ca 0.69 2.48 0.02 0.00 0.02 0.00 0.00 61.00 64.21 3ek6 s PRO 211 Cb -0.26 -3.07 0.02 0.00 0.02 0.00 0.00 34.50 31.21 3ek6 s PRO 211 CO 0.27 -0.59 -0.21 -0.51 -0.33 0.00 0.00 177.00 175.64 3ek6 s LEU 212 N -0.07 2.11 -0.34 -5.54 1.02 0.51 -1.44 118.68 114.93 3ek6 s LEU 212 Ca 0.64 -0.63 -0.07 0.00 0.02 0.00 0.00 54.13 54.10 3ek6 s LEU 212 Cb -0.46 -1.46 0.04 0.00 0.02 0.00 0.00 46.19 44.33 3ek6 s LEU 212 CO 0.43 0.03 0.11 -0.13 0.02 0.00 0.00 176.35 176.81 3ek6 s ARG 213 N 1.10 2.69 -0.26 1.70 0.52 0.25 0.17 118.95 125.12 3ek6 s ARG 213 Ca 0.00 -1.14 -0.15 0.00 -0.52 0.00 0.00 55.73 53.92 3ek6 s ARG 213 Cb -0.14 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.82 3ek6 s ARG 213 CO -0.09 -0.65 0.38 0.42 0.02 0.00 0.00 175.30 175.39 3ek6 s ILE 214 N 1.43 5.17 0.27 1.52 1.09 -0.08 -0.25 121.20 130.35 3ek6 s ILE 214 Ca -0.01 0.60 -0.15 0.00 -1.10 0.00 0.00 60.65 59.99 3ek6 s ILE 214 Cb -0.19 -3.71 0.01 0.00 -1.06 0.00 0.00 42.46 37.51 3ek6 s ILE 214 CO 0.03 0.17 0.57 0.72 -0.10 0.00 0.00 174.94 176.32 3ek6 s PHE 215 N 1.98 0.22 0.06 3.97 -0.00 -0.98 -0.28 117.98 122.96 3ek6 s PHE 215 Ca 0.16 -0.62 0.05 0.00 -0.00 0.00 0.00 56.93 56.52 3ek6 s PHE 215 Cb -0.16 0.37 -0.04 0.00 -0.00 0.00 0.00 43.02 43.19 3ek6 s PHE 215 CO 0.10 -1.10 -0.07 0.20 -0.00 0.00 0.00 175.22 174.35 3ek6 s GLY 216 N -3.00 1.80 -0.59 1.99 0.00 -1.26 -1.60 107.32 104.66 3ek6 s GLY 216 Ca 0.19 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.78 3ek6 s GLY 216 CO 0.09 -1.07 1.82 1.03 0.00 0.00 0.00 173.10 174.97 3ek6 n MET 217 N 0.98 2.93 0.20 2.90 0.00 -1.26 -4.76 117.12 118.12 3ek6 n MET 217 Ca -0.14 -3.54 -0.14 0.00 0.00 0.00 0.00 57.70 53.88 3ek6 n MET 217 Cb 0.52 -2.29 -0.08 0.00 0.00 0.00 0.00 33.22 31.38 3ek6 n MET 217 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3ek6 h SER 218 N 2.12 -0.42 -3.37 7.83 0.87 -1.96 -3.45 113.55 115.17 3ek6 h SER 218 Ca 0.54 -0.09 -0.66 0.00 -1.23 0.00 0.00 61.79 60.35 3ek6 h SER 218 Cb 0.93 0.11 -0.13 0.00 -0.44 0.00 0.00 62.40 62.86 3ek6 h SER 218 CO 1.38 -0.15 -0.65 -1.83 -0.53 0.00 0.00 176.83 175.04 3ek6 s GLU 219 N -5.30 2.70 0.59 2.24 4.04 -1.26 -5.09 118.70 116.62 3ek6 s GLU 219 Ca -0.15 -0.69 -0.20 0.00 0.04 0.00 0.00 54.97 53.97 3ek6 s GLU 219 Cb 0.03 -2.62 -0.03 0.00 0.02 0.00 0.00 34.13 31.53 3ek6 s GLU 219 CO 0.58 0.60 1.34 -1.25 -1.84 0.00 0.00 175.26 174.69 3ek6 s PRO 220 N -1.80 2.89 0.00 -4.83 0.04 -1.26 -3.24 135.00 126.80 3ek6 s PRO 220 Ca 0.22 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.44 3ek6 s PRO 220 Cb -0.12 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3ek6 s PRO 220 CO 0.13 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.21 3ek6 n GLY 221 N 0.80 1.63 0.32 0.56 0.00 -1.26 -4.93 105.19 102.31 3ek6 n GLY 221 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 3ek6 n GLY 221 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3ek6 h VAL 222 N 0.00 0.21 -0.15 1.61 -1.51 -1.95 -0.98 116.25 113.48 3ek6 h VAL 222 Ca 0.00 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.51 3ek6 h VAL 222 Cb 0.00 0.21 -0.05 0.00 -2.13 0.00 0.00 31.29 29.33 3ek6 h VAL 222 CO 0.00 0.00 -0.14 0.25 -1.23 0.00 0.00 177.57 176.45 3ek6 h LEU 223 N -0.14 -0.46 -0.58 4.19 7.12 -1.91 -1.13 115.31 122.40 3ek6 h LEU 223 Ca 0.24 0.09 0.02 0.00 0.13 0.00 0.00 57.88 58.36 3ek6 h LEU 223 Cb 0.54 0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 40.85 3ek6 h LEU 223 CO -0.66 -0.19 0.37 -0.07 -0.13 0.00 0.00 178.44 177.76 3ek6 h LEU 224 N -0.17 0.62 -0.15 2.25 3.38 -1.80 -2.39 115.31 117.05 3ek6 h LEU 224 Ca 0.10 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3ek6 h LEU 224 Cb 0.31 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3ek6 h LEU 224 CO -0.25 0.44 -0.02 0.03 0.09 0.00 0.00 178.44 178.73 3ek6 h ARG 225 N 0.74 0.03 -0.98 1.13 3.08 -0.58 -1.84 114.38 115.95 3ek6 h ARG 225 Ca 0.23 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.40 3ek6 h ARG 225 Cb -0.03 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 29.93 3ek6 h ARG 225 CO -0.08 0.02 0.62 0.82 -1.07 0.00 0.00 179.97 180.28 3ek6 h ILE 226 N 0.03 0.90 0.00 2.04 2.04 -1.05 -1.25 117.51 120.22 3ek6 h ILE 226 Ca 0.07 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 3ek6 h ILE 226 Cb 0.10 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 3ek6 h ILE 226 CO -0.14 0.17 -0.36 -0.07 0.00 0.00 0.00 178.15 177.75 3ek6 h LEU 227 N 0.93 0.00 0.00 1.44 3.38 -0.84 -2.79 115.31 117.43 3ek6 h LEU 227 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3ek6 h LEU 227 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3ek6 h LEU 227 CO -0.26 0.36 -0.74 0.45 0.09 0.00 0.00 178.44 178.35 3ek6 h HIS 228 N 0.00 0.00 0.00 1.13 3.86 -0.62 1.35 115.15 120.87 3ek6 h HIS 228 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ek6 h HIS 228 Cb 0.75 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.22 3ek6 h HIS 228 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3ek6 n GLY 229 N 1.20 0.27 3.77 2.45 0.00 -0.55 -4.61 105.19 107.72 3ek6 n GLY 229 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3ek6 n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek6 s ALA 230 N -0.97 3.45 -1.38 4.61 0.00 -0.83 -4.92 121.76 121.72 3ek6 s ALA 230 Ca 0.00 1.26 -0.13 0.00 0.00 0.00 0.00 51.96 53.09 3ek6 s ALA 230 Cb 0.00 -3.48 0.09 0.00 0.00 0.00 0.00 23.12 19.72 3ek6 s ALA 230 CO 0.00 -0.68 2.04 1.04 0.00 0.00 0.00 175.76 178.16 3ek6 n GLN 231 N 0.66 3.13 -3.41 0.00 1.13 -1.26 -4.54 117.38 113.08 3ek6 n GLN 231 Ca 0.01 -3.00 -0.38 0.00 -1.94 0.00 0.00 57.00 51.69 3ek6 n GLN 231 Cb 0.42 -3.19 -0.06 0.00 0.11 0.00 0.00 30.24 27.51 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 2.42 5.12 0.00 5.09 1.01 -1.26 -4.97 121.20 128.61 3ek6 s ILE 232 Ca 0.45 0.87 0.00 0.00 0.00 0.00 0.00 60.65 61.97 3ek6 s ILE 232 Cb 0.11 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.82 3ek6 s ILE 232 CO -0.04 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3ek6 n GLY 233 N 2.66 -0.22 3.53 6.18 0.00 -1.26 -4.75 105.19 111.34 3ek6 n GLY 233 Ca -0.10 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 4.29 -0.28 2.61 2.01 0.62 -4.73 115.64 120.16 3ek6 s THR 234 Ca 0.00 -0.20 -0.16 0.00 0.31 0.00 0.00 61.69 61.64 3ek6 s THR 234 Cb 0.00 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 3ek6 s THR 234 CO 0.00 0.45 0.42 -0.22 -0.69 0.00 0.00 174.62 174.58 3ek6 s LEU 235 N 0.63 4.12 -0.23 4.42 1.98 -0.98 -0.90 118.68 127.71 3ek6 s LEU 235 Ca 0.01 0.25 -0.06 0.00 -2.89 0.00 0.00 54.13 51.44 3ek6 s LEU 235 Cb -0.14 -2.49 -0.03 0.00 0.66 0.00 0.00 46.19 44.19 3ek6 s LEU 235 CO 0.02 -0.26 0.04 -0.69 -1.89 0.00 0.00 176.35 173.57 3ek6 s VAL 236 N 2.16 4.13 -0.23 1.68 1.01 0.13 -1.46 120.40 127.83 3ek6 s VAL 236 Ca 0.17 -0.24 -0.35 0.00 0.00 0.00 0.00 61.98 61.55 3ek6 s VAL 236 Cb -0.16 -2.91 0.15 0.00 0.00 0.00 0.00 36.38 33.47 3ek6 s VAL 236 CO 0.10 0.38 1.27 0.00 0.00 0.00 0.00 175.10 176.85 3ek6 s GLN 237 N 1.35 0.21 0.00 2.72 -2.07 -0.66 -0.36 119.66 120.85 3ek6 s GLN 237 Ca 0.05 -0.06 0.00 0.00 -1.82 0.00 0.00 55.36 53.53 3ek6 s GLN 237 Cb -0.15 0.10 0.00 0.00 -1.09 0.00 0.00 33.01 31.87 3ek6 s GLN 237 CO 0.02 -0.09 0.00 0.41 -1.32 0.00 0.00 175.29 174.31 3ek6 n GLY 238 N 0.03 1.33 3.40 2.60 0.00 -1.26 -4.05 105.19 107.23 3ek6 n GLY 238 Ca 0.01 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.54 3.48 0.00 1.61 0.52 -1.26 -1.99 118.95 118.77 3ek6 s ARG 239 Ca 0.00 -0.62 0.19 0.00 -0.52 0.00 0.00 55.73 54.79 3ek6 s ARG 239 Cb 0.00 -2.81 1.14 0.00 0.52 0.00 0.00 34.95 33.79 3ek6 s ARG 239 CO 0.00 0.13 1.53 0.43 0.02 0.00 0.00 175.30 177.41