#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek6 s SER 2 N 0.00 4.60 0.00 7.83 1.04 -1.26 -5.02 113.70 120.90 3ek6 s SER 2 Ca 0.00 -0.81 0.22 0.00 0.48 0.00 0.00 55.95 55.84 3ek6 s SER 2 Cb 0.00 -0.69 0.58 0.00 0.10 0.00 0.00 66.02 66.01 3ek6 s SER 2 CO 0.00 -0.30 1.50 -0.62 0.98 0.00 0.00 173.24 174.80 3ek6 n GLU 3 N -1.12 2.59 -4.21 4.02 -0.58 -1.26 -4.92 120.64 115.15 3ek6 n GLU 3 Ca -0.03 -2.45 -0.35 0.00 -0.42 0.00 0.00 57.16 53.91 3ek6 n GLU 3 Cb 0.61 -1.54 -0.10 0.00 -0.57 0.00 0.00 31.44 29.85 3ek6 n GLU 3 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3ek6 s LEU 4 N -1.11 3.65 0.41 -4.62 1.43 -1.26 -4.69 118.68 112.49 3ek6 s LEU 4 Ca 0.45 0.08 0.19 0.00 -1.03 0.00 0.00 54.13 53.82 3ek6 s LEU 4 Cb 0.24 -1.88 0.88 0.00 0.03 0.00 0.00 46.19 45.46 3ek6 s LEU 4 CO 0.32 0.26 1.85 -1.28 0.23 0.00 0.00 176.35 177.73 3ek6 h SER 5 N 6.06 0.00 -3.27 2.29 0.87 -0.68 -3.42 113.55 115.40 3ek6 h SER 5 Ca -0.42 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 59.65 3ek6 h SER 5 Cb 1.18 0.00 -0.36 0.00 -0.44 0.00 0.00 62.40 62.78 3ek6 h SER 5 CO 0.63 0.31 -0.79 -0.31 -0.53 0.00 0.00 176.83 176.13 3ek6 s TYR 6 N -3.96 1.21 -0.23 2.24 2.02 -1.14 -5.00 117.35 112.49 3ek6 s TYR 6 Ca -0.02 -0.52 -0.07 0.00 -0.37 0.00 0.00 57.07 56.10 3ek6 s TYR 6 Cb 0.13 -1.04 -0.18 0.00 -0.40 0.00 0.00 41.96 40.46 3ek6 s TYR 6 CO 0.68 -0.40 -0.08 -2.13 -1.57 0.00 0.00 175.55 172.05 3ek6 n ARG 7 N 4.69 0.65 -4.20 -0.62 0.63 -1.26 -4.86 116.66 111.70 3ek6 n ARG 7 Ca -0.15 0.25 -0.34 0.00 -0.92 0.00 0.00 57.85 56.70 3ek6 n ARG 7 Cb 0.50 -1.58 -0.15 0.00 0.45 0.00 0.00 32.46 31.68 3ek6 n ARG 7 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3ek6 s ARG 8 N -2.51 3.19 0.03 -0.14 3.52 -1.26 0.12 118.95 121.90 3ek6 s ARG 8 Ca -0.33 -0.74 0.01 0.00 -0.13 0.00 0.00 55.73 54.55 3ek6 s ARG 8 Cb 0.10 -2.73 -0.02 0.00 -1.56 0.00 0.00 34.95 30.74 3ek6 s ARG 8 CO 0.61 -0.13 -0.06 0.96 -0.81 0.00 0.00 175.30 175.88 3ek6 s ILE 9 N 1.18 0.36 -0.23 4.11 -5.25 -0.48 -0.43 121.20 120.46 3ek6 s ILE 9 Ca 0.02 -0.82 -0.01 0.00 -0.99 0.00 0.00 60.65 58.84 3ek6 s ILE 9 Cb -0.14 -0.43 0.02 0.00 2.95 0.00 0.00 42.46 44.86 3ek6 s ILE 9 CO -0.05 -0.31 -0.08 -0.22 -1.79 0.00 0.00 174.94 172.49 3ek6 s LEU 10 N -1.20 2.98 -0.26 0.37 0.20 -0.49 -1.03 118.68 119.25 3ek6 s LEU 10 Ca -0.09 -0.78 -0.11 0.00 0.69 0.00 0.00 54.13 53.85 3ek6 s LEU 10 Cb -0.08 -1.64 -0.05 0.00 -0.43 0.00 0.00 46.19 43.99 3ek6 s LEU 10 CO -0.00 -0.09 0.18 -0.22 -0.29 0.00 0.00 176.35 175.92 3ek6 s LEU 11 N 1.34 4.06 -0.15 -0.68 2.96 -0.03 -0.72 118.68 125.46 3ek6 s LEU 11 Ca 0.02 0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3ek6 s LEU 11 Cb -0.16 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 3ek6 s LEU 11 CO -0.06 0.01 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.15 3ek6 s LYS 12 N 1.42 3.56 0.19 1.98 2.36 0.14 -1.36 119.74 128.03 3ek6 s LYS 12 Ca 0.07 -0.59 0.09 0.00 -2.55 0.00 0.00 55.97 52.99 3ek6 s LYS 12 Cb -0.15 -2.80 -0.04 0.00 -1.05 0.00 0.00 37.83 33.79 3ek6 s LYS 12 CO 0.08 0.23 -0.17 -0.51 1.55 0.00 0.00 175.35 176.53 3ek6 s LEU 13 N 0.36 2.49 0.53 5.43 2.01 -0.09 -1.27 118.68 128.14 3ek6 s LEU 13 Ca -0.07 -0.93 -0.19 0.00 0.01 0.00 0.00 54.13 52.95 3ek6 s LEU 13 Cb -0.15 -0.80 -0.06 0.00 0.01 0.00 0.00 46.19 45.19 3ek6 s LEU 13 CO 0.04 -0.07 1.09 -0.44 1.01 0.00 0.00 176.35 177.98 3ek6 s SER 14 N -2.96 5.92 0.23 2.29 0.01 -1.26 -0.73 113.70 117.20 3ek6 s SER 14 Ca 0.19 2.05 -0.07 0.00 1.31 0.00 0.00 55.95 59.43 3ek6 s SER 14 Cb -0.04 -2.57 0.21 0.00 0.21 0.00 0.00 66.02 63.83 3ek6 s SER 14 CO 0.07 -1.07 1.88 1.23 0.41 0.00 0.00 173.24 175.76 3ek6 h GLY 15 N 1.21 1.31 1.13 3.44 0.00 -1.84 -2.15 103.07 106.16 3ek6 h GLY 15 Ca -0.49 -0.54 0.11 0.00 0.00 0.00 0.00 47.33 46.41 3ek6 h GLY 15 CO 0.58 0.53 0.33 1.05 0.00 0.00 0.00 176.54 179.02 3ek6 h GLU 16 N 1.24 0.14 -0.10 4.80 9.09 -1.86 -0.22 114.58 127.66 3ek6 h GLU 16 Ca 0.32 -0.01 0.03 0.00 0.05 0.00 0.00 59.36 59.76 3ek6 h GLU 16 Cb -0.05 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 27.01 3ek6 h GLU 16 CO -0.06 0.09 0.44 0.00 0.05 0.00 0.00 179.01 179.53 3ek6 h ALA 17 N 1.76 1.59 0.00 1.06 0.00 -1.77 1.35 119.26 123.26 3ek6 h ALA 17 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ek6 h ALA 17 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ek6 h ALA 17 CO -0.03 -0.50 -0.60 -0.07 0.00 0.00 0.00 179.25 178.05 3ek6 h LEU 18 N 0.00 0.00 -0.45 0.00 3.38 -1.18 -3.39 115.31 113.67 3ek6 h LEU 18 Ca 0.05 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3ek6 h LEU 18 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3ek6 h LEU 18 CO -0.00 0.08 -0.38 -0.03 0.09 0.00 0.00 178.44 178.20 3ek6 h MET 19 N 0.00 0.00 0.00 1.13 4.05 0.17 -0.80 114.93 119.48 3ek6 h MET 19 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3ek6 h MET 19 Cb 0.79 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.59 3ek6 h MET 19 CO 0.00 0.38 0.00 0.41 0.23 0.00 0.00 176.91 177.93 3ek6 n GLY 20 N 0.77 3.47 0.24 1.39 0.00 -1.24 -2.20 105.19 107.61 3ek6 n GLY 20 Ca 0.01 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.11 3ek6 n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ek6 n ASP 21 N 4.55 0.98 -3.98 1.61 5.75 -1.26 -4.92 116.55 119.28 3ek6 n ASP 21 Ca 0.00 -0.87 -0.30 0.00 -0.01 0.00 0.00 54.79 53.61 3ek6 n ASP 21 Cb 0.00 0.11 0.21 0.00 -1.03 0.00 0.00 41.12 40.41 3ek6 n ASP 21 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3ek6 s GLY 22 N -2.49 1.81 0.00 6.12 0.00 -0.93 -5.02 107.32 106.81 3ek6 s GLY 22 Ca 0.25 -1.30 0.15 0.00 0.00 0.00 0.00 44.72 43.82 3ek6 s GLY 22 CO 0.51 -0.48 0.71 1.22 0.00 0.00 0.00 173.10 175.06 3ek6 n ASP 23 N -3.87 1.01 -3.56 1.64 8.00 -1.26 -4.98 116.55 113.53 3ek6 n ASP 23 Ca 0.17 -1.01 -0.10 0.00 0.71 0.00 0.00 54.79 54.56 3ek6 n ASP 23 Cb 0.59 0.82 -0.02 0.00 -0.02 0.00 0.00 41.12 42.50 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 -2.25 -0.42 0.00 1.24 1.13 -1.26 -5.03 117.35 110.76 3ek6 s TYR 24 Ca 0.08 0.14 0.00 0.00 -1.41 0.00 0.00 57.07 55.88 3ek6 s TYR 24 Cb 0.12 0.60 0.00 0.00 -1.10 0.00 0.00 41.96 41.58 3ek6 s TYR 24 CO 0.55 -0.94 0.00 0.41 -2.51 0.00 0.00 175.55 173.05 3ek6 n GLY 25 N -0.40 1.07 2.85 5.49 0.00 0.10 -4.81 105.19 109.49 3ek6 n GLY 25 Ca -0.13 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 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 0.45 -0.30 -0.61 1.01 -1.26 -4.00 121.20 116.49 3ek6 s ILE 26 Ca 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 60.65 60.36 3ek6 s ILE 26 Cb 0.00 -0.52 0.01 0.00 0.01 0.00 0.00 42.46 41.95 3ek6 s ILE 26 CO 0.00 0.23 0.90 -0.62 0.00 0.00 0.00 174.94 175.44 3ek6 s ASP 27 N 1.23 6.78 0.26 3.58 -1.08 -0.31 -4.97 116.67 122.16 3ek6 s ASP 27 Ca -0.06 0.85 -0.03 0.00 -0.52 0.00 0.00 52.55 52.79 3ek6 s ASP 27 Cb -0.14 -2.46 0.41 0.00 -1.46 0.00 0.00 42.92 39.27 3ek6 s ASP 27 CO -0.02 -0.70 1.85 1.55 0.52 0.00 0.00 175.17 178.37 3ek6 h PRO 28 N 8.04 0.96 -0.66 4.34 0.13 -1.96 -1.25 132.00 141.60 3ek6 h PRO 28 Ca -0.23 -0.06 0.04 0.00 -0.87 0.00 0.00 66.00 64.88 3ek6 h PRO 28 Cb 1.08 -0.22 -0.05 0.00 0.13 0.00 0.00 31.00 31.95 3ek6 h PRO 28 CO 0.94 0.63 0.40 0.87 -0.23 0.00 0.00 178.00 180.61 3ek6 h LYS 29 N 0.99 0.74 0.17 0.86 1.57 -1.96 -0.38 116.57 118.55 3ek6 h LYS 29 Ca 0.42 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.15 3ek6 h LYS 29 Cb 0.28 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3ek6 h LYS 29 CO -0.21 0.49 -0.08 0.28 -0.57 0.00 0.00 179.45 179.36 3ek6 h VAL 30 N 0.77 0.95 -0.62 0.50 2.07 -1.73 0.19 116.25 118.37 3ek6 h VAL 30 Ca 0.28 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 67.12 3ek6 h VAL 30 Cb 0.08 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3ek6 h VAL 30 CO -0.13 0.16 0.40 -0.29 0.02 0.00 0.00 177.57 177.73 3ek6 h ILE 31 N -0.57 1.13 -0.68 4.57 6.09 -1.19 -0.16 117.51 126.70 3ek6 h ILE 31 Ca -0.02 -0.28 -0.05 0.00 -1.37 0.00 0.00 64.86 63.14 3ek6 h ILE 31 Cb 0.43 0.25 -0.03 0.00 0.47 0.00 0.00 36.82 37.94 3ek6 h ILE 31 CO 0.04 0.15 0.22 -1.13 -3.07 0.00 0.00 178.15 174.36 3ek6 h ASN 32 N 0.81 0.96 -0.41 2.19 -0.00 -1.00 0.16 115.58 118.28 3ek6 h ASN 32 Ca 0.24 -0.16 0.02 0.00 -0.00 0.00 0.00 56.30 56.39 3ek6 h ASN 32 Cb -0.05 -0.25 -0.03 0.00 -0.00 0.00 0.00 38.32 37.99 3ek6 h ASN 32 CO -0.07 0.89 0.23 -0.09 -0.00 0.00 0.00 177.43 178.39 3ek6 h ARG 33 N 1.00 0.46 -0.30 6.67 2.43 0.07 -2.43 114.38 122.28 3ek6 h ARG 33 Ca 0.22 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.24 3ek6 h ARG 33 Cb 0.27 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3ek6 h ARG 33 CO -0.01 0.30 -0.33 1.25 -1.51 0.00 0.00 179.97 179.68 3ek6 h LEU 34 N 0.47 0.67 -0.70 3.80 7.12 -0.38 -2.35 115.31 123.94 3ek6 h LEU 34 Ca 0.17 -0.27 0.01 0.00 0.13 0.00 0.00 57.88 57.91 3ek6 h LEU 34 Cb 0.03 -0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 39.94 3ek6 h LEU 34 CO -0.09 0.94 0.46 0.00 -0.13 0.00 0.00 178.44 179.62 3ek6 h ALA 35 N 1.10 0.89 -0.03 1.25 0.00 -0.53 -0.69 119.26 121.25 3ek6 h ALA 35 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ek6 h ALA 35 Cb 0.82 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ek6 h ALA 35 CO 0.07 0.31 0.01 0.45 0.00 0.00 0.00 179.25 180.10 3ek6 h HIS 36 N 0.95 0.04 -0.52 0.00 3.86 -1.19 0.13 115.15 118.42 3ek6 h HIS 36 Ca 0.26 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.56 3ek6 h HIS 36 Cb -0.10 -0.01 -0.08 0.00 1.06 0.00 0.00 27.41 28.28 3ek6 h HIS 36 CO -0.02 0.12 0.06 0.93 0.86 0.00 0.00 177.93 179.88 3ek6 h GLU 37 N -0.05 0.18 -0.12 2.45 4.39 -1.24 -0.78 114.58 119.42 3ek6 h GLU 37 Ca 0.01 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3ek6 h GLU 37 Cb 0.09 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3ek6 h GLU 37 CO -0.00 0.12 0.04 0.28 -1.16 0.00 0.00 179.01 178.29 3ek6 h VAL 38 N 0.19 1.17 -0.72 3.13 2.07 -0.76 -2.58 116.25 118.74 3ek6 h VAL 38 Ca 0.27 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3ek6 h VAL 38 Cb 0.39 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3ek6 h VAL 38 CO -0.38 0.15 0.38 0.16 0.02 0.00 0.00 177.57 177.90 3ek6 h ILE 39 N 0.01 1.22 -0.75 4.57 3.07 -0.77 -1.63 117.51 123.23 3ek6 h ILE 39 Ca 0.04 -0.58 0.14 0.00 1.55 0.00 0.00 64.86 66.01 3ek6 h ILE 39 Cb 0.20 0.26 -0.10 0.00 -0.27 0.00 0.00 36.82 36.92 3ek6 h ILE 39 CO -0.00 0.25 0.30 -0.33 -1.05 0.00 0.00 178.15 177.32 3ek6 h GLU 40 N 1.02 0.42 -0.15 0.16 3.07 -1.00 -1.21 114.58 116.89 3ek6 h GLU 40 Ca 0.25 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.06 3ek6 h GLU 40 Cb 0.05 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 3ek6 h GLU 40 CO -0.04 0.28 -0.02 0.00 -1.40 0.00 0.00 179.01 177.83 3ek6 h ALA 41 N 1.55 0.20 -0.43 3.43 0.00 -0.91 -2.52 119.26 120.58 3ek6 h ALA 41 Ca 0.42 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3ek6 h ALA 41 Cb 0.63 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3ek6 h ALA 41 CO -0.41 -0.07 -0.09 -0.56 0.00 0.00 0.00 179.25 178.12 3ek6 h GLN 42 N -0.01 0.77 0.00 0.00 -0.00 -1.28 -2.13 115.11 112.46 3ek6 h GLN 42 Ca 0.04 -0.24 -0.02 0.00 -0.00 0.00 0.00 58.65 58.43 3ek6 h GLN 42 Cb 0.42 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.48 27.83 3ek6 h GLN 42 CO 0.01 0.83 -0.07 1.96 -0.00 0.00 0.00 178.83 181.56 3ek6 h GLN 43 N 0.70 0.00 0.00 0.06 4.20 -1.14 0.42 115.11 119.34 3ek6 h GLN 43 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3ek6 h GLN 43 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 3ek6 h GLN 43 CO 0.03 0.07 0.00 0.00 -0.67 0.00 0.00 178.83 178.27 3ek6 n ALA 44 N -2.38 2.04 0.00 3.87 0.00 -0.83 -4.86 120.51 118.34 3ek6 n ALA 44 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3ek6 n ALA 44 Cb 0.16 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 0.61 0.79 3.77 0.00 0.00 0.15 -4.73 105.19 105.78 3ek6 n GLY 45 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 3.28 -0.43 4.61 0.00 -1.01 -4.97 121.76 121.25 3ek6 s ALA 46 Ca 0.00 0.95 -0.17 0.00 0.00 0.00 0.00 51.96 52.74 3ek6 s ALA 46 Cb 0.00 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.78 3ek6 s ALA 46 CO 0.00 -0.37 0.43 -0.65 0.00 0.00 0.00 175.76 175.17 3ek6 s GLN 47 N -1.95 3.08 -0.18 0.00 -0.21 0.33 -4.25 119.66 116.48 3ek6 s GLN 47 Ca 0.51 -0.80 -0.05 0.00 0.02 0.00 0.00 55.36 55.04 3ek6 s GLN 47 Cb -0.31 -3.98 -0.03 0.00 1.00 0.00 0.00 33.01 29.69 3ek6 s GLN 47 CO 0.40 -0.87 0.00 0.08 -2.12 0.00 0.00 175.29 172.79 3ek6 s VAL 48 N 2.11 4.14 -0.06 1.09 1.01 -1.26 -1.38 120.40 126.05 3ek6 s VAL 48 Ca 0.11 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3ek6 s VAL 48 Cb -0.17 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3ek6 s VAL 48 CO 0.13 0.45 -0.13 0.00 0.00 0.00 0.00 175.10 175.56 3ek6 s ALA 49 N 0.66 2.71 -0.03 5.51 0.00 -0.20 -1.16 121.76 129.24 3ek6 s ALA 49 Ca -0.00 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.08 3ek6 s ALA 49 Cb -0.14 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 3ek6 s ALA 49 CO 0.02 0.52 -0.25 -0.51 0.00 0.00 0.00 175.76 175.54 3ek6 s LEU 50 N -0.61 2.12 -0.08 0.00 1.43 0.29 -0.85 118.68 120.99 3ek6 s LEU 50 Ca 0.09 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 3ek6 s LEU 50 Cb -0.11 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.76 3ek6 s LEU 50 CO 0.01 0.30 -0.03 -0.69 0.23 0.00 0.00 176.35 176.17 3ek6 s VAL 51 N -0.49 0.62 -0.10 -1.59 1.01 -0.46 -0.77 120.40 118.62 3ek6 s VAL 51 Ca 0.06 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3ek6 s VAL 51 Cb -0.11 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.58 3ek6 s VAL 51 CO 0.00 0.29 -0.16 -0.63 0.00 0.00 0.00 175.10 174.60 3ek6 s ILE 52 N 1.65 1.54 1.24 2.22 1.01 -1.26 -0.91 121.20 126.68 3ek6 s ILE 52 Ca 0.01 -0.69 -0.20 0.00 0.00 0.00 0.00 60.65 59.77 3ek6 s ILE 52 Cb -0.13 -1.39 0.30 0.00 0.01 0.00 0.00 42.46 41.25 3ek6 s ILE 52 CO -0.05 0.45 1.12 -0.83 0.00 0.00 0.00 174.94 175.63 3ek6 s GLY 53 N 0.83 1.59 -0.13 6.18 0.00 0.09 -4.74 107.32 111.14 3ek6 s GLY 53 Ca -0.10 -1.06 0.17 0.00 0.00 0.00 0.00 44.72 43.73 3ek6 s GLY 53 CO 0.01 -0.13 1.15 0.61 0.00 0.00 0.00 173.10 174.74 3ek6 n GLY 54 N -0.99 4.59 0.10 0.20 0.00 -1.26 -2.94 105.19 104.88 3ek6 n GLY 54 Ca 0.15 -1.08 0.11 0.00 0.00 0.00 0.00 46.02 45.20 3ek6 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek6 n GLY 55 N -1.30 -1.23 0.11 -0.02 0.00 -1.26 -0.81 105.19 100.67 3ek6 n GLY 55 Ca 0.15 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.34 3ek6 n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ek6 n ASN 56 N -2.05 0.69 -0.00 1.61 2.04 -1.26 -4.34 115.26 111.94 3ek6 n ASN 56 Ca 0.03 0.61 -0.03 0.00 -0.44 0.00 0.00 54.58 54.74 3ek6 n ASN 56 Cb 0.23 -0.78 -0.01 0.00 -2.53 0.00 0.00 39.78 36.69 3ek6 n ASN 56 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 3ek6 n ILE 57 N -2.19 0.65 -2.70 1.53 5.41 -0.62 -0.72 119.36 120.72 3ek6 n ILE 57 Ca 0.04 0.11 -0.42 0.00 1.00 0.00 0.00 62.75 63.48 3ek6 n ILE 57 Cb 0.33 -1.62 -0.02 0.00 -0.71 0.00 0.00 39.64 37.62 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 -2.10 2.85 0.19 1.39 5.99 0.01 -4.85 117.98 121.46 3ek6 s PHE 58 Ca -0.05 -1.31 -0.23 0.00 0.00 0.00 0.00 56.93 55.34 3ek6 s PHE 58 Cb 0.02 -4.56 0.05 0.00 0.00 0.00 0.00 43.02 38.53 3ek6 s PHE 58 CO 0.07 -1.73 0.69 -0.98 -0.00 0.00 0.00 175.22 173.26 3ek6 s ARG 59 N 3.83 1.44 0.00 10.12 1.70 -1.26 -4.50 118.95 130.28 3ek6 s ARG 59 Ca 0.44 -0.67 0.00 0.00 -0.47 0.00 0.00 55.73 55.03 3ek6 s ARG 59 Cb -0.01 0.57 0.00 0.00 -0.57 0.00 0.00 34.95 34.95 3ek6 s ARG 59 CO -0.05 -0.64 0.00 0.41 -1.08 0.00 0.00 175.30 173.94 3ek6 n GLY 60 N -0.41 0.70 0.29 3.88 0.00 -1.26 -4.18 105.19 104.21 3ek6 n GLY 60 Ca -0.11 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 43.98 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 0.87 -0.11 4.61 0.00 -2.02 -1.35 119.26 121.26 3ek6 h ALA 61 Ca 0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 3ek6 h ALA 61 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ek6 h ALA 61 CO 0.00 0.64 -0.61 0.78 0.00 0.00 0.00 179.25 180.07 3ek6 h GLY 62 N 0.96 0.43 0.00 0.00 0.00 -2.00 -3.06 103.07 99.40 3ek6 h GLY 62 Ca 0.14 -0.53 -0.21 0.00 0.00 0.00 0.00 47.33 46.72 3ek6 h GLY 62 CO 0.04 0.47 -1.46 1.04 0.00 0.00 0.00 176.54 176.63 3ek6 n LEU 63 N -3.90 1.90 -3.02 3.11 4.77 -1.16 -4.47 117.00 114.22 3ek6 n LEU 63 Ca -0.03 0.42 -0.36 0.00 -0.03 0.00 0.00 56.01 56.01 3ek6 n LEU 63 Cb 0.63 -0.86 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 3ek6 n LEU 63 CO 0.46 0.11 1.72 0.00 -1.33 0.00 0.00 177.39 178.35 3ek6 n ALA 64 N -3.94 6.49 -1.77 -1.18 0.00 -0.52 -4.87 120.51 114.72 3ek6 n ALA 64 Ca -0.31 -3.84 -0.39 0.00 0.00 0.00 0.00 53.44 48.91 3ek6 n ALA 64 Cb 0.63 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 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 -2.70 3.26 0.36 0.00 0.00 -1.16 -4.77 121.76 116.75 3ek6 s ALA 65 Ca 0.52 0.93 0.22 0.00 0.00 0.00 0.00 51.96 53.63 3ek6 s ALA 65 Cb 0.32 -3.35 1.12 0.00 0.00 0.00 0.00 23.12 21.20 3ek6 s ALA 65 CO -0.23 -0.37 1.95 0.66 0.00 0.00 0.00 175.76 177.77 3ek6 h SER 66 N 3.06 0.00 -0.33 0.00 4.64 -1.94 -2.97 113.55 116.01 3ek6 h SER 66 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3ek6 h SER 66 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3ek6 h SER 66 CO 0.64 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 177.43 3ek6 n GLY 67 N -0.50 1.96 3.90 -0.77 0.00 -1.26 -4.89 105.19 103.63 3ek6 n GLY 67 Ca -0.02 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 3ek6 n GLY 67 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ek6 s MET 68 N -1.83 3.62 0.44 1.61 0.00 -1.12 -5.07 119.30 116.94 3ek6 s MET 68 Ca 0.29 -0.09 -0.25 0.00 0.00 0.00 0.00 55.69 55.63 3ek6 s MET 68 Cb 0.20 -2.78 -0.08 0.00 0.00 0.00 0.00 34.83 32.17 3ek6 s MET 68 CO 0.11 0.38 1.40 0.34 0.00 0.00 0.00 175.02 177.25 3ek6 s ASP 69 N -2.74 5.98 0.07 1.11 2.15 -1.26 -4.87 116.67 117.10 3ek6 s ASP 69 Ca 0.42 2.86 -0.19 0.00 0.43 0.00 0.00 52.55 56.07 3ek6 s ASP 69 Cb -0.11 -2.65 -0.11 0.00 -0.30 0.00 0.00 42.92 39.75 3ek6 s ASP 69 CO 0.26 -1.10 1.44 -0.09 -0.17 0.00 0.00 175.17 175.51 3ek6 h ARG 70 N 2.41 0.44 -0.20 4.34 1.12 -1.96 0.18 114.38 120.72 3ek6 h ARG 70 Ca -0.51 -0.19 -0.01 0.00 -1.11 0.00 0.00 59.98 58.17 3ek6 h ARG 70 Cb 1.26 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.19 3ek6 h ARG 70 CO 0.61 0.71 0.11 0.28 -3.11 0.00 0.00 179.97 178.57 3ek6 h VAL 71 N 0.16 1.12 -0.36 0.20 2.07 -1.99 0.11 116.25 117.56 3ek6 h VAL 71 Ca 0.05 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.32 3ek6 h VAL 71 Cb 0.57 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 3ek6 h VAL 71 CO 0.03 0.11 -0.13 0.74 0.02 0.00 0.00 177.57 178.34 3ek6 h THR 72 N 0.21 0.56 -0.21 2.57 2.02 -1.92 0.66 112.91 116.80 3ek6 h THR 72 Ca 0.07 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.28 3ek6 h THR 72 Cb 0.09 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 3ek6 h THR 72 CO -0.01 0.00 -0.00 1.23 0.37 0.00 0.00 175.52 177.11 3ek6 h GLY 73 N -0.06 0.19 1.03 2.16 0.00 -0.19 -1.62 103.07 104.60 3ek6 h GLY 73 Ca 0.18 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.56 3ek6 h GLY 73 CO -0.40 -0.04 0.59 -0.55 0.00 0.00 0.00 176.54 176.14 3ek6 h ASP 74 N 0.06 0.99 -0.55 0.19 3.32 -0.25 0.11 116.42 120.28 3ek6 h ASP 74 Ca 0.10 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3ek6 h ASP 74 Cb 0.12 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3ek6 h ASP 74 CO -0.17 0.69 0.20 0.45 -1.72 0.00 0.00 179.24 178.69 3ek6 h HIS 75 N 1.15 0.87 -0.29 4.55 3.86 -0.58 0.20 115.15 124.91 3ek6 h HIS 75 Ca 0.35 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.48 3ek6 h HIS 75 Cb -0.03 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 3ek6 h HIS 75 CO -0.00 0.72 0.18 0.52 0.86 0.00 0.00 177.93 180.20 3ek6 h MET 76 N 0.76 0.39 -0.35 2.45 2.86 -0.81 -0.83 114.93 119.40 3ek6 h MET 76 Ca 0.18 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.84 3ek6 h MET 76 Cb 0.24 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 3ek6 h MET 76 CO -0.01 0.30 0.08 0.78 1.06 0.00 0.00 176.91 179.12 3ek6 h GLY 77 N 0.37 0.42 0.27 8.32 0.00 -0.45 -1.02 103.07 110.99 3ek6 h GLY 77 Ca 0.10 -0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.49 3ek6 h GLY 77 CO -0.02 -0.01 0.06 -0.33 0.00 0.00 0.00 176.54 176.24 3ek6 h MET 78 N 0.21 0.18 -0.64 4.80 2.86 -0.26 -2.27 114.93 119.82 3ek6 h MET 78 Ca 0.17 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 3ek6 h MET 78 Cb 0.18 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3ek6 h MET 78 CO -0.21 0.12 0.30 -0.07 1.06 0.00 0.00 176.91 178.11 3ek6 h LEU 79 N 0.19 0.82 -0.50 1.22 4.07 -0.75 -1.86 115.31 118.50 3ek6 h LEU 79 Ca 0.26 -0.09 0.02 0.00 0.08 0.00 0.00 57.88 58.15 3ek6 h LEU 79 Cb 0.36 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 3ek6 h LEU 79 CO -0.37 0.71 0.30 0.00 -1.08 0.00 0.00 178.44 178.00 3ek6 h ALA 80 N 1.42 0.63 -0.83 1.53 0.00 -0.66 -2.12 119.26 119.24 3ek6 h ALA 80 Ca 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3ek6 h ALA 80 Cb 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3ek6 h ALA 80 CO -0.03 0.00 0.45 1.79 0.00 0.00 0.00 179.25 181.47 3ek6 h THR 81 N 0.60 1.24 -0.66 0.00 1.35 -0.82 -0.85 112.91 113.77 3ek6 h THR 81 Ca 0.20 -0.60 0.05 0.00 -0.55 0.00 0.00 66.41 65.51 3ek6 h THR 81 Cb 0.01 0.12 -0.05 0.00 -1.73 0.00 0.00 68.15 66.50 3ek6 h THR 81 CO -0.09 0.27 0.38 0.58 -0.25 0.00 0.00 175.52 176.42 3ek6 h VAL 82 N 1.16 1.01 -0.73 6.82 2.07 -1.02 -0.11 116.25 125.45 3ek6 h VAL 82 Ca 0.29 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3ek6 h VAL 82 Cb 0.02 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 3ek6 h VAL 82 CO -0.05 0.13 0.36 0.40 0.02 0.00 0.00 177.57 178.44 3ek6 h ILE 83 N 0.72 1.23 -0.64 4.57 2.04 -0.66 -2.19 117.51 122.58 3ek6 h ILE 83 Ca 0.28 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 3ek6 h ILE 83 Cb 0.12 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 3ek6 h ILE 83 CO -0.15 0.27 0.18 0.78 0.00 0.00 0.00 178.15 179.23 3ek6 h ASN 84 N 1.02 0.93 -0.65 1.72 -0.26 -0.68 -2.80 115.58 114.85 3ek6 h ASN 84 Ca 0.25 -0.17 -0.06 0.00 -0.56 0.00 0.00 56.30 55.76 3ek6 h ASN 84 Cb 0.10 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.09 3ek6 h ASN 84 CO -0.03 0.88 0.16 0.00 -1.06 0.00 0.00 177.43 177.38 3ek6 h ALA 85 N 1.24 0.86 -0.70 -0.83 0.00 -0.68 0.44 119.26 119.58 3ek6 h ALA 85 Ca 0.21 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ek6 h ALA 85 Cb 0.30 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3ek6 h ALA 85 CO -0.00 0.57 0.45 -0.07 0.00 0.00 0.00 179.25 180.20 3ek6 h LEU 86 N 0.97 0.74 -0.37 0.00 4.07 -1.37 0.18 115.31 119.53 3ek6 h LEU 86 Ca 0.21 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 58.07 3ek6 h LEU 86 Cb 0.36 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 3ek6 h LEU 86 CO 0.00 0.52 -0.13 0.00 -1.08 0.00 0.00 178.44 177.76 3ek6 h ALA 87 N 1.29 0.51 -0.34 1.53 0.00 -1.18 -1.80 119.26 119.28 3ek6 h ALA 87 Ca 0.28 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ek6 h ALA 87 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ek6 h ALA 87 CO -0.10 0.40 0.21 1.98 0.00 0.00 0.00 179.25 181.74 3ek6 h MET 88 N 0.53 0.45 -0.30 0.00 1.85 -0.77 -1.48 114.93 115.21 3ek6 h MET 88 Ca 0.09 -0.04 0.05 0.00 -0.61 0.00 0.00 59.70 59.19 3ek6 h MET 88 Cb 0.65 -0.10 -0.05 0.00 0.43 0.00 0.00 31.60 32.54 3ek6 h MET 88 CO 0.04 0.33 0.01 0.37 -0.40 0.00 0.00 176.91 177.26 3ek6 h GLN 89 N 0.44 0.10 -0.44 0.39 4.15 -0.50 -0.73 115.11 118.52 3ek6 h GLN 89 Ca 0.12 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3ek6 h GLN 89 Cb -0.01 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3ek6 h GLN 89 CO -0.02 0.06 0.28 0.22 -1.93 0.00 0.00 178.83 177.44 3ek6 h ASP 90 N 0.10 0.52 -0.83 -0.69 3.58 -1.22 -0.27 116.42 117.60 3ek6 h ASP 90 Ca 0.15 -0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.59 3ek6 h ASP 90 Cb 0.19 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.07 3ek6 h ASP 90 CO -0.24 0.39 0.55 0.00 -2.88 0.00 0.00 179.24 177.06 3ek6 h ALA 91 N 1.15 1.45 0.16 -0.78 0.00 -0.78 -1.80 119.26 118.66 3ek6 h ALA 91 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ek6 h ALA 91 Cb -0.05 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3ek6 h ALA 91 CO -0.03 0.49 -0.08 -0.07 0.00 0.00 0.00 179.25 179.55 3ek6 h LEU 92 N 1.07 -0.19 -1.93 0.00 3.38 -0.80 -3.28 115.31 113.57 3ek6 h LEU 92 Ca 0.32 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3ek6 h LEU 92 Cb -0.04 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3ek6 h LEU 92 CO -0.08 0.31 0.17 -0.33 0.09 0.00 0.00 178.44 178.60 3ek6 h GLU 93 N -0.76 0.08 0.00 1.13 5.08 -0.97 0.25 114.58 119.39 3ek6 h GLU 93 Ca -0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3ek6 h GLU 93 Cb 0.52 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3ek6 h GLU 93 CO 0.04 0.06 0.00 0.87 -1.00 0.00 0.00 179.01 178.97 3ek6 h LYS 94 N 0.09 0.00 -0.65 2.33 1.57 -1.38 -1.13 116.57 117.40 3ek6 h LYS 94 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3ek6 h LYS 94 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3ek6 h LYS 94 CO -0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.15 3ek6 n LEU 95 N -3.01 3.84 0.00 2.94 4.32 0.85 -4.94 117.00 121.00 3ek6 n LEU 95 Ca -0.01 -1.87 0.00 0.00 -0.02 0.00 0.00 56.01 54.10 3ek6 n LEU 95 Cb 0.16 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 3ek6 n LEU 95 CO 0.22 0.93 0.00 0.61 -1.22 0.00 0.00 177.39 177.93 3ek6 n GLY 96 N 1.62 0.74 3.79 -0.72 0.00 -0.43 -5.05 105.19 105.14 3ek6 n GLY 96 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.72 2.80 -0.29 4.61 0.00 -1.11 -4.98 121.76 120.07 3ek6 s ALA 97 Ca 0.00 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 3ek6 s ALA 97 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 3ek6 s ALA 97 CO 0.00 -0.51 0.25 0.15 0.00 0.00 0.00 175.76 175.65 3ek6 s LYS 98 N -3.24 3.88 -0.02 0.00 -0.14 -1.26 -4.22 119.74 114.75 3ek6 s LYS 98 Ca 0.70 -0.29 0.03 0.00 -1.36 0.00 0.00 55.97 55.05 3ek6 s LYS 98 Cb -0.20 -3.69 -0.01 0.00 -1.68 0.00 0.00 37.83 32.26 3ek6 s LYS 98 CO 0.23 -0.26 -0.11 0.08 -0.76 0.00 0.00 175.35 174.54 3ek6 s VAL 99 N 1.84 0.88 -0.08 3.17 1.01 -1.26 0.25 120.40 126.21 3ek6 s VAL 99 Ca 0.09 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3ek6 s VAL 99 Cb -0.16 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.49 3ek6 s VAL 99 CO 0.11 0.26 -0.08 -0.13 0.00 0.00 0.00 175.10 175.25 3ek6 s ARG 100 N -0.12 1.36 -0.17 2.72 1.81 0.36 -4.90 118.95 120.00 3ek6 s ARG 100 Ca 0.02 -0.25 -0.07 0.00 -1.72 0.00 0.00 55.73 53.71 3ek6 s ARG 100 Cb -0.06 -1.30 -0.04 0.00 -0.45 0.00 0.00 34.95 33.11 3ek6 s ARG 100 CO -0.00 -0.12 0.04 0.54 -0.68 0.00 0.00 175.30 175.08 3ek6 s VAL 101 N 1.15 4.60 -0.07 3.52 0.11 -1.26 -0.91 120.40 127.55 3ek6 s VAL 101 Ca -0.06 -0.10 0.03 0.00 -2.93 0.00 0.00 61.98 58.92 3ek6 s VAL 101 Cb -0.14 -3.06 0.01 0.00 -1.53 0.00 0.00 36.38 31.66 3ek6 s VAL 101 CO -0.02 0.47 -0.16 -0.04 -3.33 0.00 0.00 175.10 172.03 3ek6 s MET 102 N 0.32 2.06 0.16 1.54 -1.94 0.97 -2.15 119.30 120.27 3ek6 s MET 102 Ca 0.02 -0.55 0.06 0.00 -1.71 0.00 0.00 55.69 53.51 3ek6 s MET 102 Cb -0.13 -1.65 -0.04 0.00 2.01 0.00 0.00 34.83 35.02 3ek6 s MET 102 CO 0.01 0.08 0.06 0.45 -0.01 0.00 0.00 175.02 175.61 3ek6 s SER 103 N 0.53 5.10 0.12 3.03 0.15 -0.18 -1.48 113.70 120.97 3ek6 s SER 103 Ca -0.15 -0.27 0.26 0.00 0.70 0.00 0.00 55.95 56.49 3ek6 s SER 103 Cb -0.16 -1.21 0.75 0.00 -1.71 0.00 0.00 66.02 63.69 3ek6 s SER 103 CO 0.05 0.09 1.65 0.00 1.20 0.00 0.00 173.24 176.23 3ek6 n ALA 104 N -0.16 2.60 -2.42 5.45 0.00 -0.90 -0.82 120.51 124.26 3ek6 n ALA 104 Ca -0.09 -0.13 -0.28 0.00 0.00 0.00 0.00 53.44 52.93 3ek6 n ALA 104 Cb 0.55 -1.35 -0.16 0.00 0.00 0.00 0.00 19.45 18.49 3ek6 n ALA 104 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3ek6 s ILE 105 N -3.08 1.76 0.10 0.00 -4.36 -1.26 -4.63 121.20 109.73 3ek6 s ILE 105 Ca 0.10 -0.95 -0.31 0.00 -0.26 0.00 0.00 60.65 59.23 3ek6 s ILE 105 Cb 0.15 -1.46 -0.08 0.00 1.25 0.00 0.00 42.46 42.31 3ek6 s ILE 105 CO 0.63 0.50 1.42 -0.54 0.24 0.00 0.00 174.94 177.19 3ek6 s LYS 106 N -0.49 4.30 -0.24 0.37 3.01 -1.26 -4.89 119.74 120.53 3ek6 s LYS 106 Ca 0.08 2.10 -0.03 0.00 -1.01 0.00 0.00 55.97 57.11 3ek6 s LYS 106 Cb -0.09 -3.31 0.08 0.00 -1.01 0.00 0.00 37.83 33.50 3ek6 s LYS 106 CO -0.01 -0.49 0.08 0.42 0.51 0.00 0.00 175.35 175.87 3ek6 s ILE 107 N 1.39 0.36 -0.01 2.17 1.01 -1.26 -5.11 121.20 119.75 3ek6 s ILE 107 Ca 0.66 -0.75 -0.35 0.00 0.00 0.00 0.00 60.65 60.20 3ek6 s ILE 107 Cb -0.37 -1.10 -0.14 0.00 0.01 0.00 0.00 42.46 40.87 3ek6 s ILE 107 CO 0.30 -0.47 1.70 0.59 0.00 0.00 0.00 174.94 177.06 3ek6 n ASN 108 N 5.09 2.98 0.00 3.58 4.13 -1.26 -2.67 115.26 127.11 3ek6 n ASN 108 Ca -0.06 1.04 0.00 0.00 1.68 0.00 0.00 54.58 57.24 3ek6 n ASN 108 Cb 0.45 -1.34 0.00 0.00 -1.54 0.00 0.00 39.78 37.35 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 4.93 0.00 -0.02 6.41 2.03 -1.26 -4.73 116.55 123.91 3ek6 n ASP 109 Ca 0.21 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.39 3ek6 n ASP 109 Cb 0.26 -1.44 -0.14 0.00 -0.72 0.00 0.00 41.12 39.08 3ek6 n ASP 109 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3ek6 n VAL 110 N -2.00 1.64 -3.82 5.18 0.24 -1.09 -5.03 118.33 113.45 3ek6 n VAL 110 Ca 0.00 -0.75 -0.06 0.00 -2.04 0.00 0.00 64.34 61.49 3ek6 n VAL 110 Cb 0.00 -1.21 -0.01 0.00 -1.47 0.00 0.00 33.84 31.16 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 -3.28 3.61 0.59 0.00 -1.05 -0.91 -4.55 118.70 113.10 3ek6 s GLU 112 Ca 0.13 0.15 -0.16 0.00 -0.15 0.00 0.00 54.97 54.94 3ek6 s GLU 112 Cb -0.04 -2.47 -0.04 0.00 -0.44 0.00 0.00 34.13 31.14 3ek6 s GLU 112 CO 0.06 -0.04 1.06 -0.51 0.95 0.00 0.00 175.26 176.78 3ek6 s ASP 113 N -3.70 5.77 -0.10 0.83 1.01 -1.26 -1.01 116.67 118.21 3ek6 s ASP 113 Ca 0.47 1.86 -0.30 0.00 0.71 0.00 0.00 52.55 55.29 3ek6 s ASP 113 Cb -0.10 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 3ek6 s ASP 113 CO 0.38 -1.17 1.26 0.12 0.21 0.00 0.00 175.17 175.96 3ek6 s PHE 114 N -2.37 2.98 -0.16 4.23 5.36 0.00 -4.64 117.98 123.39 3ek6 s PHE 114 Ca 0.65 1.06 -0.00 0.00 -0.96 0.00 0.00 56.93 57.68 3ek6 s PHE 114 Cb -0.17 -3.49 0.04 0.00 -0.34 0.00 0.00 43.02 39.06 3ek6 s PHE 114 CO 0.35 -1.65 -0.06 0.42 -1.46 0.00 0.00 175.22 172.82 3ek6 s ILE 115 N 2.81 1.13 0.21 3.12 -1.09 -1.26 -5.01 121.20 121.11 3ek6 s ILE 115 Ca 0.57 -0.57 -0.12 0.00 -2.23 0.00 0.00 60.65 58.30 3ek6 s ILE 115 Cb -0.24 -1.26 0.22 0.00 -1.58 0.00 0.00 42.46 39.60 3ek6 s ILE 115 CO 0.20 0.19 1.64 -0.09 -1.23 0.00 0.00 174.94 175.65 3ek6 h ARG 116 N 8.12 0.05 -0.44 2.79 2.43 -1.96 0.13 114.38 125.50 3ek6 h ARG 116 Ca -0.26 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.82 3ek6 h ARG 116 Cb 1.12 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 3ek6 h ARG 116 CO 0.41 0.03 -0.07 0.00 -1.51 0.00 0.00 179.97 178.83 3ek6 h ARG 117 N 0.05 0.77 -0.20 0.20 2.47 -1.96 -2.22 114.38 113.50 3ek6 h ARG 117 Ca 0.32 -0.24 -0.14 0.00 -1.26 0.00 0.00 59.98 58.67 3ek6 h ARG 117 Cb 0.52 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 3ek6 h ARG 117 CO -0.60 0.83 -0.41 0.00 0.56 0.00 0.00 179.97 180.35 3ek6 h ARG 118 N 0.71 0.63 -0.20 0.04 3.08 -1.55 -2.37 114.38 114.73 3ek6 h ARG 118 Ca 0.13 -0.41 0.05 0.00 0.07 0.00 0.00 59.98 59.82 3ek6 h ARG 118 Cb 0.54 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.58 3ek6 h ARG 118 CO 0.03 1.03 -0.19 0.00 -1.07 0.00 0.00 179.97 179.77 3ek6 h ALA 119 N 0.60 -0.07 -0.69 0.04 0.00 -0.65 0.32 119.26 118.81 3ek6 h ALA 119 Ca 0.01 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3ek6 h ALA 119 Cb 1.01 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 3ek6 h ALA 119 CO 0.09 -0.62 0.30 0.82 0.00 0.00 0.00 179.25 179.85 3ek6 h ILE 120 N -0.20 0.78 -0.61 0.00 2.04 -1.42 -1.12 117.51 116.97 3ek6 h ILE 120 Ca 0.12 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 3ek6 h ILE 120 Cb 0.38 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3ek6 h ILE 120 CO -0.32 0.09 0.27 -0.09 0.00 0.00 0.00 178.15 178.10 3ek6 h ARG 121 N 0.51 0.89 -0.72 2.37 2.43 -0.66 0.41 114.38 119.60 3ek6 h ARG 121 Ca 0.35 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 3ek6 h ARG 121 Cb 0.43 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3ek6 h ARG 121 CO -0.31 0.74 0.38 0.45 -1.51 0.00 0.00 179.97 179.73 3ek6 h HIS 122 N 0.84 0.99 0.03 2.20 3.86 -0.57 -1.22 115.15 121.29 3ek6 h HIS 122 Ca 0.21 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3ek6 h HIS 122 Cb 0.17 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.32 3ek6 h HIS 122 CO 0.01 0.71 -0.01 -0.07 0.86 0.00 0.00 177.93 179.42 3ek6 h LEU 123 N 0.99 -0.03 -1.02 2.43 4.07 -0.63 -0.98 115.31 120.15 3ek6 h LEU 123 Ca 0.25 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3ek6 h LEU 123 Cb 0.05 0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.80 3ek6 h LEU 123 CO -0.04 0.25 0.00 -1.84 -1.08 0.00 0.00 178.44 175.73 3ek6 n GLU 124 N -4.98 0.12 -0.09 1.13 0.28 0.14 -0.76 120.64 116.48 3ek6 n GLU 124 Ca -0.08 0.56 0.12 0.00 -0.16 0.00 0.00 57.16 57.60 3ek6 n GLU 124 Cb 0.16 -1.85 0.28 0.00 1.43 0.00 0.00 31.44 31.46 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 -2.10 2.12 -0.82 3.44 5.02 -0.47 -4.96 118.16 120.40 3ek6 n LYS 125 Ca -0.00 -1.67 0.00 0.00 -2.02 0.00 0.00 58.31 54.61 3ek6 n LYS 125 Cb 0.07 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 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 1.32 0.58 3.80 0.72 0.00 0.06 -5.05 105.19 106.61 3ek6 n GLY 126 Ca 0.17 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.39 4.41 -0.06 1.61 0.52 -0.41 -4.75 118.95 119.89 3ek6 s ARG 127 Ca 0.00 1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 56.01 3ek6 s ARG 127 Cb 0.00 -2.84 -0.02 0.00 0.52 0.00 0.00 34.95 32.61 3ek6 s ARG 127 CO 0.00 0.34 1.07 0.42 0.02 0.00 0.00 175.30 177.14 3ek6 s ILE 128 N -1.57 4.61 -0.25 1.52 -1.09 0.14 -4.26 121.20 120.29 3ek6 s ILE 128 Ca 0.47 1.88 -0.15 0.00 -2.23 0.00 0.00 60.65 60.62 3ek6 s ILE 128 Cb -0.18 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.46 3ek6 s ILE 128 CO 0.22 0.04 0.36 0.00 -1.23 0.00 0.00 174.94 174.33 3ek6 s ALA 129 N 1.77 3.57 -0.23 9.38 0.00 -0.31 -0.49 121.76 135.45 3ek6 s ALA 129 Ca 0.52 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 3ek6 s ALA 129 Cb -0.21 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 3ek6 s ALA 129 CO 0.22 -0.54 -0.02 0.42 0.00 0.00 0.00 175.76 175.84 3ek6 s ILE 130 N 1.82 3.49 -0.19 0.00 1.01 -0.08 0.11 121.20 127.36 3ek6 s ILE 130 Ca 0.15 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 3ek6 s ILE 130 Cb -0.15 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 3ek6 s ILE 130 CO 0.09 0.37 0.10 -0.36 0.00 0.00 0.00 174.94 175.15 3ek6 s PHE 131 N 1.49 3.35 0.30 3.97 0.08 0.05 -0.02 117.98 127.20 3ek6 s PHE 131 Ca 0.05 0.23 0.08 0.00 0.12 0.00 0.00 56.93 57.41 3ek6 s PHE 131 Cb -0.15 -2.12 -0.06 0.00 -0.57 0.00 0.00 43.02 40.12 3ek6 s PHE 131 CO -0.02 0.25 -0.07 0.00 -0.10 0.00 0.00 175.22 175.27 3ek6 s ALA 132 N 0.33 2.53 -1.52 5.36 0.00 -0.55 -4.26 121.76 123.65 3ek6 s ALA 132 Ca 0.06 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.07 3ek6 s ALA 132 Cb -0.12 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3ek6 s ALA 132 CO -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 175.76 175.73 3ek6 n ALA 133 N -0.64 -0.23 -0.39 0.00 0.00 -1.26 -2.13 120.51 115.86 3ek6 n ALA 133 Ca -0.05 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3ek6 n ALA 133 Cb 0.63 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.18 2.51 0.12 0.00 0.00 -1.26 -0.76 105.19 104.62 3ek6 n GLY 134 Ca -0.15 0.36 0.12 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 0.00 2.61 2.02 -1.89 -3.42 112.91 112.23 3ek6 h THR 135 Ca 0.00 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.24 3ek6 h THR 135 Cb 0.00 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3ek6 h THR 135 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3ek6 n GLY 136 N 1.19 1.74 3.58 2.16 0.00 0.06 -4.97 105.19 108.95 3ek6 n GLY 136 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.46 4.42 1.00 1.61 0.01 -1.26 -4.91 114.94 113.35 3ek6 s ASN 137 Ca 0.00 -0.33 -0.14 0.00 -0.71 0.00 0.00 52.86 51.69 3ek6 s ASN 137 Cb 0.00 -0.89 0.19 0.00 0.41 0.00 0.00 41.25 40.96 3ek6 s ASN 137 CO 0.00 0.21 1.12 -2.16 -1.51 0.00 0.00 177.10 174.76 3ek6 s PRO 138 N -1.98 0.42 0.00 -0.60 0.04 -1.26 -3.76 135.00 127.85 3ek6 s PRO 138 Ca 0.20 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.52 3ek6 s PRO 138 Cb -0.11 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.67 3ek6 s PRO 138 CO 0.12 -2.69 0.00 1.19 0.04 0.00 0.00 177.00 175.66 3ek6 n PHE 139 N -4.10 0.00 -4.80 0.56 3.72 -1.26 -4.98 117.46 106.60 3ek6 n PHE 139 Ca 0.07 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.17 3ek6 n PHE 139 Cb 0.59 -1.00 -0.14 0.00 -0.94 0.00 0.00 39.48 37.99 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 -1.78 2.43 0.75 1.38 0.08 -1.25 -5.14 117.98 114.45 3ek6 s PHE 140 Ca 0.00 -0.34 -0.04 0.00 0.12 0.00 0.00 56.93 56.67 3ek6 s PHE 140 Cb 0.00 -1.43 0.12 0.00 -0.57 0.00 0.00 43.02 41.15 3ek6 s PHE 140 CO 0.00 0.18 1.04 0.95 -0.10 0.00 0.00 175.22 177.29 3ek6 s THR 141 N -0.85 2.17 0.20 0.64 -4.23 -1.26 -4.92 115.64 107.39 3ek6 s THR 141 Ca 0.13 -0.46 -0.07 0.00 -1.18 0.00 0.00 61.69 60.11 3ek6 s THR 141 Cb -0.10 -2.71 0.07 0.00 1.34 0.00 0.00 72.50 71.10 3ek6 s THR 141 CO 0.03 0.00 1.66 0.74 -0.54 0.00 0.00 174.62 176.51 3ek6 h THR 142 N -0.68 1.26 0.01 3.99 2.02 -2.00 -2.73 112.91 114.77 3ek6 h THR 142 Ca -0.39 -1.15 0.02 0.00 0.77 0.00 0.00 66.41 65.66 3ek6 h THR 142 Cb 1.27 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 3ek6 h THR 142 CO 0.43 0.41 -0.17 0.44 0.37 0.00 0.00 175.52 177.00 3ek6 h ASP 143 N 0.91 -0.50 -0.78 4.18 3.32 -1.98 0.26 116.42 121.83 3ek6 h ASP 143 Ca 0.16 0.07 0.11 0.00 0.02 0.00 0.00 57.03 57.40 3ek6 h ASP 143 Cb 0.57 0.21 -0.13 0.00 0.22 0.00 0.00 39.33 40.20 3ek6 h ASP 143 CO 0.03 -0.24 -0.43 0.28 -1.72 0.00 0.00 179.24 177.17 3ek6 h SER 144 N -0.28 -1.53 -0.87 6.45 0.02 -1.85 0.25 113.55 115.74 3ek6 h SER 144 Ca 0.05 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3ek6 h SER 144 Cb 0.35 0.73 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 3ek6 h SER 144 CO -0.16 -0.30 0.55 1.23 -1.14 0.00 0.00 176.83 177.01 3ek6 h GLY 145 N -0.11 1.25 0.99 -3.77 0.00 -1.09 0.49 103.07 100.83 3ek6 h GLY 145 Ca 0.24 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3ek6 h GLY 145 CO -0.83 0.48 0.14 0.00 0.00 0.00 0.00 176.54 176.33 3ek6 h ALA 146 N 1.30 0.27 -0.32 3.60 0.00 0.80 -1.16 119.26 123.75 3ek6 h ALA 146 Ca 0.32 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.21 3ek6 h ALA 146 Cb -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3ek6 h ALA 146 CO -0.06 -0.24 0.19 0.00 0.00 0.00 0.00 179.25 179.14 3ek6 h ALA 147 N 1.06 0.41 -0.40 0.00 0.00 -0.14 0.40 119.26 120.58 3ek6 h ALA 147 Ca 0.08 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3ek6 h ALA 147 Cb -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3ek6 h ALA 147 CO -0.02 -0.17 0.10 1.25 0.00 0.00 0.00 179.25 180.42 3ek6 h LEU 148 N 0.39 0.05 -0.72 0.00 7.12 -0.76 -1.75 115.31 119.64 3ek6 h LEU 148 Ca 0.13 0.06 -0.13 0.00 0.13 0.00 0.00 57.88 58.07 3ek6 h LEU 148 Cb -0.01 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 3ek6 h LEU 148 CO -0.05 0.06 -0.43 0.03 -0.13 0.00 0.00 178.44 177.92 3ek6 h ARG 149 N 0.23 0.48 -0.51 1.25 2.47 -0.81 -1.63 114.38 115.86 3ek6 h ARG 149 Ca 0.19 -0.25 -0.06 0.00 -1.26 0.00 0.00 59.98 58.60 3ek6 h ARG 149 Cb 0.22 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 3ek6 h ARG 149 CO -0.24 0.82 0.08 0.00 0.56 0.00 0.00 179.97 181.20 3ek6 h ALA 150 N 1.15 0.67 0.04 0.04 0.00 -0.57 -1.41 119.26 119.19 3ek6 h ALA 150 Ca 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ek6 h ALA 150 Cb 0.91 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ek6 h ALA 150 CO 0.08 0.40 -0.02 0.82 0.00 0.00 0.00 179.25 180.53 3ek6 h ILE 151 N 0.71 1.12 -0.85 0.00 2.04 -1.22 0.48 117.51 119.78 3ek6 h ILE 151 Ca 0.15 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.54 3ek6 h ILE 151 Cb 0.39 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 3ek6 h ILE 151 CO 0.01 0.13 0.54 -0.33 0.00 0.00 0.00 178.15 178.50 3ek6 h GLU 152 N -0.28 1.02 -0.04 2.37 5.08 -1.21 0.00 114.58 121.53 3ek6 h GLU 152 Ca -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ek6 h GLU 152 Cb 0.25 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3ek6 h GLU 152 CO 0.01 0.68 0.00 0.44 -1.00 0.00 0.00 179.01 179.14 3ek6 n ILE 153 N -4.56 0.05 -3.65 3.13 -5.35 -0.54 -4.91 119.36 103.53 3ek6 n ILE 153 Ca 0.11 -0.08 -0.23 0.00 -0.27 0.00 0.00 62.75 62.27 3ek6 n ILE 153 Cb 0.09 -0.12 0.06 0.00 -1.74 0.00 0.00 39.64 37.93 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 0.85 -0.43 3.76 3.28 0.00 -0.01 -4.95 105.19 107.69 3ek6 n GLY 154 Ca 0.13 0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.40 3.11 -0.17 4.61 0.00 0.16 -4.93 121.76 121.14 3ek6 s ALA 155 Ca 0.33 1.24 0.17 0.00 0.00 0.00 0.00 51.96 53.71 3ek6 s ALA 155 Cb -0.16 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 3ek6 s ALA 155 CO 0.77 -0.98 1.14 -0.44 0.00 0.00 0.00 175.76 176.26 3ek6 h ASP 156 N 2.25 0.00 -3.01 0.00 3.32 -1.07 -3.46 116.42 114.46 3ek6 h ASP 156 Ca -0.50 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.37 3ek6 h ASP 156 Cb 1.26 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.51 3ek6 h ASP 156 CO 0.61 0.43 -0.47 -0.22 -1.72 0.00 0.00 179.24 177.87 3ek6 s LEU 157 N -6.01 -0.11 -0.35 1.55 0.20 -1.19 -4.37 118.68 108.39 3ek6 s LEU 157 Ca 0.01 0.66 -0.18 0.00 0.69 0.00 0.00 54.13 55.31 3ek6 s LEU 157 Cb 0.08 0.88 -0.00 0.00 -0.43 0.00 0.00 46.19 46.72 3ek6 s LEU 157 CO 0.77 -0.21 0.50 -0.22 -0.29 0.00 0.00 176.35 176.90 3ek6 s LEU 158 N 1.97 4.38 -0.24 -0.68 0.20 -0.48 -1.40 118.68 122.42 3ek6 s LEU 158 Ca -0.04 -0.08 -0.11 0.00 0.69 0.00 0.00 54.13 54.60 3ek6 s LEU 158 Cb -0.11 -2.56 -0.05 0.00 -0.43 0.00 0.00 46.19 43.04 3ek6 s LEU 158 CO -0.10 -0.48 0.17 -0.76 -0.29 0.00 0.00 176.35 174.89 3ek6 s LEU 159 N 2.36 4.11 -0.36 -0.68 1.02 0.10 -0.74 118.68 124.48 3ek6 s LEU 159 Ca 0.18 0.11 -0.05 0.00 0.02 0.00 0.00 54.13 54.39 3ek6 s LEU 159 Cb -0.16 -2.11 0.07 0.00 0.02 0.00 0.00 46.19 44.01 3ek6 s LEU 159 CO 0.13 0.06 0.13 -0.75 0.02 0.00 0.00 176.35 175.94 3ek6 s LYS 160 N 1.11 2.39 -0.06 1.70 2.20 0.01 0.28 119.74 127.36 3ek6 s LYS 160 Ca 0.08 -1.43 -0.29 0.00 -0.36 0.00 0.00 55.97 53.96 3ek6 s LYS 160 Cb -0.14 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 3ek6 s LYS 160 CO 0.05 -0.82 0.97 0.00 -0.36 0.00 0.00 175.35 175.19 3ek6 s ALA 161 N 1.29 3.29 0.36 3.13 0.00 -0.40 -2.57 121.76 126.87 3ek6 s ALA 161 Ca 0.01 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.43 3ek6 s ALA 161 Cb -0.21 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 3ek6 s ALA 161 CO -0.00 -0.41 0.17 0.99 0.00 0.00 0.00 175.76 176.51 3ek6 s THR 162 N 1.49 0.41 0.06 0.00 2.01 0.45 -4.46 115.64 115.60 3ek6 s THR 162 Ca 0.49 -2.00 -0.15 0.00 0.31 0.00 0.00 61.69 60.33 3ek6 s THR 162 Cb -0.19 -2.44 -0.20 0.00 0.01 0.00 0.00 72.50 69.68 3ek6 s THR 162 CO 0.22 0.00 1.22 0.11 -0.69 0.00 0.00 174.62 175.48 3ek6 h LYS 163 N 2.00 0.64 -5.91 4.92 1.57 -1.96 -3.39 116.57 114.44 3ek6 h LYS 163 Ca -0.33 -0.60 -0.58 0.00 -1.87 0.00 0.00 60.65 57.28 3ek6 h LYS 163 Cb 1.26 0.15 -0.07 0.00 0.08 0.00 0.00 32.23 33.64 3ek6 h LYS 163 CO 0.52 1.21 0.26 0.08 -0.57 0.00 0.00 179.45 180.94 3ek6 s VAL 164 N -3.52 4.95 -1.40 0.50 1.01 -1.26 -4.88 120.40 115.81 3ek6 s VAL 164 Ca -0.11 1.49 -0.15 0.00 0.00 0.00 0.00 61.98 63.21 3ek6 s VAL 164 Cb 0.07 -4.07 0.04 0.00 0.00 0.00 0.00 36.38 32.42 3ek6 s VAL 164 CO 0.88 0.10 2.07 -0.67 0.00 0.00 0.00 175.10 177.48 3ek6 n ASP 165 N 4.82 4.17 0.00 3.32 -0.08 -1.26 -4.35 116.55 123.17 3ek6 n ASP 165 Ca 0.02 -2.86 0.00 0.00 -1.51 0.00 0.00 54.79 50.44 3ek6 n ASP 165 Cb 0.50 -1.68 0.00 0.00 2.34 0.00 0.00 41.12 42.28 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 4.52 1.33 3.42 0.27 0.00 -1.24 -4.43 105.19 109.06 3ek6 n GLY 166 Ca 0.51 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.22 4.99 0.81 1.61 1.01 -1.26 -4.87 120.40 121.48 3ek6 s VAL 167 Ca 0.00 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 3ek6 s VAL 167 Cb 0.00 -3.80 0.15 0.00 0.00 0.00 0.00 36.38 32.73 3ek6 s VAL 167 CO 0.00 -0.30 1.12 -0.31 0.00 0.00 0.00 175.10 175.61 3ek6 s TYR 168 N 1.63 1.72 0.24 5.22 1.51 -1.26 -2.32 117.35 124.09 3ek6 s TYR 168 Ca 0.04 0.01 -0.03 0.00 -1.01 0.00 0.00 57.07 56.08 3ek6 s TYR 168 Cb -0.19 -3.43 0.28 0.00 -0.11 0.00 0.00 41.96 38.50 3ek6 s TYR 168 CO 0.09 -2.03 1.73 0.22 -1.11 0.00 0.00 175.55 174.45 3ek6 h ASP 169 N -0.95 0.82 0.00 2.29 3.58 -1.39 -3.45 116.42 117.33 3ek6 h ASP 169 Ca -0.40 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 56.84 3ek6 h ASP 169 Cb 1.26 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.09 3ek6 h ASP 169 CO 0.41 0.89 0.00 1.17 -2.88 0.00 0.00 179.24 178.83 3ek6 n LYS 170 N -4.20 0.00 -1.40 0.28 4.81 -1.26 -4.93 118.16 111.45 3ek6 n LYS 170 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3ek6 n LYS 170 Cb 0.31 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.36 3ek6 n LYS 170 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3ek6 n ASP 171 N 0.00 -2.95 0.24 3.14 5.68 -1.26 -4.49 116.55 116.91 3ek6 n ASP 171 Ca 0.00 0.30 0.09 0.00 -0.50 0.00 0.00 54.79 54.68 3ek6 n ASP 171 Cb 0.00 -0.63 0.59 0.00 -1.14 0.00 0.00 41.12 39.93 3ek6 n ASP 171 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 3ek6 h PRO 172 N 2.76 0.00 0.00 0.11 0.13 -1.95 -1.28 132.00 131.77 3ek6 h PRO 172 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3ek6 h PRO 172 Cb 0.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.30 3ek6 h PRO 172 CO 0.00 0.20 0.00 1.63 -0.23 0.00 0.00 178.00 179.60 3ek6 n LYS 173 N -3.77 0.89 0.00 0.86 4.01 -1.26 -2.86 118.16 116.03 3ek6 n LYS 173 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 3ek6 n LYS 173 Cb 0.30 -1.45 0.00 0.00 -0.51 0.00 0.00 35.03 33.37 3ek6 n LYS 173 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3ek6 n LYS 174 N -0.95 1.88 -3.68 1.97 5.02 -0.92 -5.04 118.16 116.43 3ek6 n LYS 174 Ca 0.19 -0.05 -0.19 0.00 -2.02 0.00 0.00 58.31 56.24 3ek6 n LYS 174 Cb 0.09 -0.33 -0.17 0.00 -0.02 0.00 0.00 35.03 34.60 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 -0.28 0.02 -1.98 2.13 3.76 -0.53 -5.02 115.29 113.38 3ek6 s HIS 175 Ca 0.00 0.30 0.30 0.00 -0.15 0.00 0.00 55.06 55.52 3ek6 s HIS 175 Cb 0.00 -0.42 1.51 0.00 1.11 0.00 0.00 32.58 34.79 3ek6 s HIS 175 CO 0.00 -0.19 2.01 -1.13 -0.85 0.00 0.00 174.74 174.58 3ek6 n SER 176 N 5.18 0.46 -0.85 1.40 3.41 -1.26 -3.42 113.62 118.54 3ek6 n SER 176 Ca -0.06 -0.94 0.07 0.00 -0.26 0.00 0.00 58.87 57.68 3ek6 n SER 176 Cb 0.50 -0.04 0.23 0.00 -0.26 0.00 0.00 64.21 64.64 3ek6 n SER 176 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ek6 n ASP 177 N -0.74 3.61 -4.76 4.04 5.75 -1.26 -5.03 116.55 118.16 3ek6 n ASP 177 Ca 0.20 -2.63 -0.41 0.00 -0.01 0.00 0.00 54.79 51.94 3ek6 n ASP 177 Cb 0.22 -0.44 -0.03 0.00 -1.03 0.00 0.00 41.12 39.84 3ek6 n ASP 177 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ek6 s ALA 178 N -2.13 3.48 -0.31 2.12 0.00 -1.22 -5.01 121.76 118.68 3ek6 s ALA 178 Ca 0.36 1.14 -0.02 0.00 0.00 0.00 0.00 51.96 53.43 3ek6 s ALA 178 Cb 0.26 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 20.00 3ek6 s ALA 178 CO 0.12 -0.49 0.02 0.08 0.00 0.00 0.00 175.76 175.50 3ek6 s VAL 179 N -0.98 3.10 0.22 0.00 1.01 -1.26 -4.84 120.40 117.65 3ek6 s VAL 179 Ca 0.49 -1.40 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 3ek6 s VAL 179 Cb -0.37 -2.80 -0.09 0.00 0.00 0.00 0.00 36.38 33.12 3ek6 s VAL 179 CO 0.47 -0.15 1.35 -0.60 0.00 0.00 0.00 175.10 176.18 3ek6 s ARG 180 N 1.26 4.35 0.31 2.72 3.52 -1.26 -0.99 118.95 128.86 3ek6 s ARG 180 Ca -0.04 2.13 -0.27 0.00 -0.13 0.00 0.00 55.73 57.42 3ek6 s ARG 180 Cb -0.20 -3.17 -0.09 0.00 -1.56 0.00 0.00 34.95 29.93 3ek6 s ARG 180 CO -0.01 -0.30 1.00 0.71 -0.81 0.00 0.00 175.30 175.89 3ek6 s TYR 181 N 0.07 3.64 0.13 5.12 1.51 -0.98 -4.92 117.35 121.91 3ek6 s TYR 181 Ca 0.57 1.76 -0.09 0.00 -1.01 0.00 0.00 57.07 58.31 3ek6 s TYR 181 Cb -0.38 -3.07 -0.08 0.00 -0.11 0.00 0.00 41.96 38.32 3ek6 s TYR 181 CO 0.40 -0.10 1.35 -0.44 -1.11 0.00 0.00 175.55 175.65 3ek6 h ASP 182 N 3.39 0.78 -5.02 2.29 3.32 -1.91 -3.38 116.42 115.89 3ek6 h ASP 182 Ca -0.47 -0.52 -0.03 0.00 0.02 0.00 0.00 57.03 56.03 3ek6 h ASP 182 Cb 1.20 -0.23 -0.13 0.00 0.22 0.00 0.00 39.33 40.39 3ek6 h ASP 182 CO 0.65 1.30 0.13 -0.94 -1.72 0.00 0.00 179.24 178.66 3ek6 s SER 183 N -7.07 -0.50 0.04 6.45 1.04 -1.26 -2.13 113.70 110.27 3ek6 s SER 183 Ca -0.09 0.02 -0.21 0.00 0.48 0.00 0.00 55.95 56.16 3ek6 s SER 183 Cb 0.09 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.81 3ek6 s SER 183 CO 0.88 -0.89 0.47 -0.76 0.98 0.00 0.00 173.24 173.93 3ek6 s LEU 184 N -2.54 0.13 0.40 2.42 1.43 0.80 -4.89 118.68 116.43 3ek6 s LEU 184 Ca -0.00 0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.08 3ek6 s LEU 184 Cb -0.00 1.95 -0.08 0.00 0.03 0.00 0.00 46.19 48.09 3ek6 s LEU 184 CO -0.10 -0.68 0.82 -0.89 0.23 0.00 0.00 176.35 175.73 3ek6 s THR 185 N -2.35 4.67 0.23 5.49 2.01 -1.26 -1.14 115.64 123.29 3ek6 s THR 185 Ca -0.06 0.90 -0.06 0.00 0.31 0.00 0.00 61.69 62.78 3ek6 s THR 185 Cb -0.01 -3.68 0.19 0.00 0.01 0.00 0.00 72.50 69.01 3ek6 s THR 185 CO -0.01 -0.44 1.77 1.88 -0.69 0.00 0.00 174.62 177.12 3ek6 h TYR 186 N 1.53 0.62 -0.16 4.92 -1.99 -1.64 -1.87 116.97 118.39 3ek6 h TYR 186 Ca -0.47 0.03 -0.14 0.00 2.00 0.00 0.00 58.73 60.15 3ek6 h TYR 186 Cb 1.18 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.74 3ek6 h TYR 186 CO 0.62 0.19 -0.50 -0.44 -0.00 0.00 0.00 178.16 178.02 3ek6 h ASP 187 N 0.57 0.46 0.31 3.88 3.32 -1.93 -2.62 116.42 120.41 3ek6 h ASP 187 Ca 0.38 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 3ek6 h ASP 187 Cb 0.45 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3ek6 h ASP 187 CO -0.31 0.88 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.52 3ek6 h GLU 188 N 0.33 0.00 -0.18 3.56 5.08 -1.80 0.44 114.58 122.02 3ek6 h GLU 188 Ca 0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3ek6 h GLU 188 Cb 1.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 3ek6 h GLU 188 CO 0.09 0.25 -0.08 0.28 -1.00 0.00 0.00 179.01 178.54 3ek6 h VAL 189 N 0.00 1.31 0.15 3.13 2.07 -0.99 -2.74 116.25 119.17 3ek6 h VAL 189 Ca -0.00 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 3ek6 h VAL 189 Cb 0.47 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3ek6 h VAL 189 CO 0.03 0.34 -0.07 0.40 0.02 0.00 0.00 177.57 178.29 3ek6 h ILE 190 N 0.06 0.98 -0.95 4.57 2.04 -1.28 -1.22 117.51 121.72 3ek6 h ILE 190 Ca 0.04 -0.60 0.27 0.00 1.00 0.00 0.00 64.86 65.57 3ek6 h ILE 190 Cb 0.56 1.35 -0.14 0.00 -0.74 0.00 0.00 36.82 37.85 3ek6 h ILE 190 CO 0.03 0.14 0.42 -0.03 0.00 0.00 0.00 178.15 178.71 3ek6 h MET 191 N -0.48 0.30 -0.56 2.37 4.05 -0.13 -0.45 114.93 120.02 3ek6 h MET 191 Ca -0.02 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 3ek6 h MET 191 Cb 0.38 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 3ek6 h MET 191 CO 0.03 0.20 0.00 1.04 0.23 0.00 0.00 176.91 178.41 3ek6 n GLN 192 N -5.10 2.64 -2.09 0.39 6.02 -1.03 -4.95 117.38 113.25 3ek6 n GLN 192 Ca 0.26 -2.42 -0.20 0.00 -0.01 0.00 0.00 57.00 54.64 3ek6 n GLN 192 Cb 0.82 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.55 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 1.36 0.37 3.77 1.08 0.00 -0.18 -4.96 105.19 106.63 3ek6 n GLY 193 Ca 0.20 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.22 4.20 -0.27 0.99 2.01 -0.50 -4.99 118.68 114.89 3ek6 s LEU 194 Ca 0.00 2.61 -0.11 0.00 0.01 0.00 0.00 54.13 56.63 3ek6 s LEU 194 Cb 0.00 -3.94 -0.05 0.00 0.01 0.00 0.00 46.19 42.21 3ek6 s LEU 194 CO 0.00 -0.85 0.21 -1.61 1.01 0.00 0.00 176.35 175.10 3ek6 s GLU 195 N -2.28 3.98 0.09 1.70 2.02 -1.26 -4.76 118.70 118.19 3ek6 s GLU 195 Ca 0.57 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.30 3ek6 s GLU 195 Cb -0.37 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.22 3ek6 s GLU 195 CO 0.47 -0.15 0.00 0.28 0.02 0.00 0.00 175.26 175.88 3ek6 n VAL 196 N 4.92 0.42 -4.25 2.63 0.31 -1.26 -5.02 118.33 116.09 3ek6 n VAL 196 Ca -0.14 0.14 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 3ek6 n VAL 196 Cb 0.52 -1.19 -0.10 0.00 -0.91 0.00 0.00 33.84 32.15 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 1.26 0.88 5.55 -1.94 -1.26 -5.11 119.30 116.67 3ek6 s MET 197 Ca 0.00 -1.66 -0.12 0.00 -1.71 0.00 0.00 55.69 52.21 3ek6 s MET 197 Cb 0.00 -0.05 0.11 0.00 2.01 0.00 0.00 34.83 36.90 3ek6 s MET 197 CO 0.00 -0.30 1.05 -0.40 -0.01 0.00 0.00 175.02 175.36 3ek6 n ASP 198 N -0.34 0.19 -0.01 3.03 5.68 -1.26 -4.69 116.55 119.15 3ek6 n ASP 198 Ca -0.01 0.47 -0.14 0.00 -0.50 0.00 0.00 54.79 54.61 3ek6 n ASP 198 Cb 0.66 -1.44 -0.08 0.00 -1.14 0.00 0.00 41.12 39.11 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 -1.49 0.05 -0.77 2.12 2.02 -2.01 -1.19 112.91 111.63 3ek6 h THR 199 Ca -0.44 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.76 3ek6 h THR 199 Cb 1.28 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 3ek6 h THR 199 CO 0.42 0.00 0.50 0.00 0.37 0.00 0.00 175.52 176.81 3ek6 h ALA 200 N -0.15 0.99 -0.50 6.16 0.00 -2.00 -0.12 119.26 123.65 3ek6 h ALA 200 Ca 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ek6 h ALA 200 Cb 0.67 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3ek6 h ALA 200 CO -0.43 0.35 0.32 0.00 0.00 0.00 0.00 179.25 179.50 3ek6 h ALA 201 N 1.30 0.64 -0.05 0.00 0.00 -1.78 -2.61 119.26 116.76 3ek6 h ALA 201 Ca 0.29 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 3ek6 h ALA 201 Cb -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3ek6 h ALA 201 CO -0.08 0.05 -0.56 0.35 0.00 0.00 0.00 179.25 179.01 3ek6 h PHE 202 N 0.65 0.18 -0.31 0.00 3.57 -0.44 -2.65 116.94 117.95 3ek6 h PHE 202 Ca 0.19 -0.07 -0.15 0.00 3.53 0.00 0.00 57.97 61.47 3ek6 h PHE 202 Cb -0.04 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3ek6 h PHE 202 CO -0.05 0.67 -0.43 0.00 -2.23 0.00 0.00 178.31 176.28 3ek6 h ALA 203 N 1.31 0.67 -0.18 2.41 0.00 -0.80 -1.46 119.26 121.21 3ek6 h ALA 203 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3ek6 h ALA 203 Cb 1.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3ek6 h ALA 203 CO 0.08 0.67 0.05 1.25 0.00 0.00 0.00 179.25 181.31 3ek6 h LEU 204 N 0.62 0.26 -0.73 0.00 5.85 -1.31 -0.36 115.31 119.65 3ek6 h LEU 204 Ca 0.04 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3ek6 h LEU 204 Cb 0.99 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 3ek6 h LEU 204 CO 0.09 0.40 0.39 0.00 -0.34 0.00 0.00 178.44 178.98 3ek6 h ALA 205 N 0.87 0.93 -0.79 1.25 0.00 -1.47 -2.67 119.26 117.39 3ek6 h ALA 205 Ca 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3ek6 h ALA 205 Cb 0.23 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3ek6 h ALA 205 CO -0.00 0.46 0.29 -0.09 0.00 0.00 0.00 179.25 179.91 3ek6 h ARG 206 N 1.00 1.19 0.00 0.00 1.12 -1.14 0.17 114.38 116.73 3ek6 h ARG 206 Ca 0.25 -0.23 -0.02 0.00 -1.11 0.00 0.00 59.98 58.87 3ek6 h ARG 206 Cb 0.06 -0.19 -0.00 0.00 -0.01 0.00 0.00 29.97 29.83 3ek6 h ARG 206 CO -0.04 0.98 -0.10 -0.44 -3.11 0.00 0.00 179.97 177.26 3ek6 h ASP 207 N 1.15 0.00 -0.09 -3.80 3.32 -0.70 -1.36 116.42 114.95 3ek6 h ASP 207 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3ek6 h ASP 207 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3ek6 h ASP 207 CO -0.02 0.10 0.00 -1.20 -1.72 0.00 0.00 179.24 176.41 3ek6 n SER 208 N -3.30 2.48 -3.58 6.45 7.64 -1.15 -4.99 113.62 117.17 3ek6 n SER 208 Ca -0.00 -1.71 -0.20 0.00 1.01 0.00 0.00 58.87 57.97 3ek6 n SER 208 Cb 0.32 -0.05 0.06 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.91 -1.90 -4.65 6.43 -0.08 -0.30 -4.91 116.55 112.04 3ek6 n ASP 209 Ca 0.10 -0.72 -0.42 0.00 -1.51 0.00 0.00 54.79 52.24 3ek6 n ASP 209 Cb 0.41 -4.57 -0.03 0.00 2.34 0.00 0.00 41.12 39.28 3ek6 n ASP 209 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3ek6 s LEU 210 N -6.59 4.19 0.18 -2.67 1.43 0.45 -4.83 118.68 110.84 3ek6 s LEU 210 Ca 0.05 2.06 -0.32 0.00 -1.03 0.00 0.00 54.13 54.90 3ek6 s LEU 210 Cb -0.02 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.56 3ek6 s LEU 210 CO 0.77 -1.03 1.60 -2.84 0.23 0.00 0.00 176.35 175.09 3ek6 s PRO 211 N 4.23 4.19 -0.25 1.29 0.02 -1.26 -4.75 135.00 138.48 3ek6 s PRO 211 Ca 0.73 2.42 0.01 0.00 0.02 0.00 0.00 61.00 64.18 3ek6 s PRO 211 Cb -0.31 -3.13 0.06 0.00 0.02 0.00 0.00 34.50 31.14 3ek6 s PRO 211 CO 0.29 -0.63 -0.06 -1.17 -0.33 0.00 0.00 177.00 175.10 3ek6 s LEU 212 N 1.04 2.86 -0.40 -5.54 2.96 0.81 -1.39 118.68 119.01 3ek6 s LEU 212 Ca 0.70 -1.28 -0.12 0.00 -0.22 0.00 0.00 54.13 53.21 3ek6 s LEU 212 Cb -0.45 -1.27 0.04 0.00 0.50 0.00 0.00 46.19 45.01 3ek6 s LEU 212 CO 0.32 -0.24 0.26 -0.60 -1.32 0.00 0.00 176.35 174.77 3ek6 s ARG 213 N 1.31 2.82 -0.12 1.98 6.06 0.08 0.48 118.95 131.56 3ek6 s ARG 213 Ca -0.05 -1.17 -0.16 0.00 -2.50 0.00 0.00 55.73 51.84 3ek6 s ARG 213 Cb -0.19 -3.83 -0.04 0.00 0.06 0.00 0.00 34.95 30.94 3ek6 s ARG 213 CO -0.06 -0.80 0.40 0.42 -2.50 0.00 0.00 175.30 172.76 3ek6 s ILE 214 N 1.56 5.22 0.26 4.11 1.09 0.21 -0.81 121.20 132.84 3ek6 s ILE 214 Ca 0.03 0.78 -0.21 0.00 -1.10 0.00 0.00 60.65 60.15 3ek6 s ILE 214 Cb -0.20 -3.73 0.05 0.00 -1.06 0.00 0.00 42.46 37.51 3ek6 s ILE 214 CO 0.06 0.37 0.86 0.72 -0.10 0.00 0.00 174.94 176.85 3ek6 s PHE 215 N 0.41 -0.05 -0.15 3.97 -0.12 -1.06 0.06 117.98 121.03 3ek6 s PHE 215 Ca 0.22 -0.41 -0.02 0.00 -0.05 0.00 0.00 56.93 56.67 3ek6 s PHE 215 Cb -0.14 0.72 -0.02 0.00 -0.63 0.00 0.00 43.02 42.95 3ek6 s PHE 215 CO 0.08 -1.16 -0.08 0.20 -0.05 0.00 0.00 175.22 174.21 3ek6 s GLY 216 N -3.04 1.61 -0.55 1.99 0.00 -1.26 -0.42 107.32 105.65 3ek6 s GLY 216 Ca 0.14 -0.91 -0.02 0.00 0.00 0.00 0.00 44.72 43.93 3ek6 s GLY 216 CO 0.07 -0.04 2.06 -0.13 0.00 0.00 0.00 173.10 175.06 3ek6 n MET 217 N 3.74 2.38 -1.09 2.90 1.56 -1.26 -4.69 117.12 120.67 3ek6 n MET 217 Ca -0.18 -2.68 -0.24 0.00 -0.27 0.00 0.00 57.70 54.33 3ek6 n MET 217 Cb 0.52 -2.05 0.05 0.00 2.15 0.00 0.00 33.22 33.89 3ek6 n MET 217 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 3ek6 n SER 218 N -0.39 6.98 -3.64 6.12 7.64 -1.26 -4.81 113.62 124.26 3ek6 n SER 218 Ca 0.51 -3.36 0.01 0.00 1.01 0.00 0.00 58.87 57.03 3ek6 n SER 218 Cb 0.60 -1.03 -0.06 0.00 -1.01 0.00 0.00 64.21 62.71 3ek6 n SER 218 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3ek6 s GLU 219 N -2.63 0.14 0.38 1.43 2.12 -1.26 -5.14 118.70 113.73 3ek6 s GLU 219 Ca 0.45 0.25 -0.27 0.00 0.36 0.00 0.00 54.97 55.76 3ek6 s GLU 219 Cb 0.35 0.03 -0.11 0.00 0.26 0.00 0.00 34.13 34.66 3ek6 s GLU 219 CO -0.02 -0.03 1.24 -0.35 -0.54 0.00 0.00 175.26 175.56 3ek6 n PRO 220 N 3.28 1.93 -0.09 4.30 -0.04 -1.26 -2.81 135.00 140.31 3ek6 n PRO 220 Ca -0.17 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 3ek6 n PRO 220 Cb 0.57 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 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 0.85 1.79 0.29 0.55 0.00 -1.26 -4.94 105.19 102.48 3ek6 n GLY 221 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 1.11 0.38 1.61 2.07 -1.93 -2.69 116.25 116.79 3ek6 h VAL 222 Ca 0.00 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3ek6 h VAL 222 Cb 0.00 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 3ek6 h VAL 222 CO 0.00 0.17 -0.27 -0.07 0.02 0.00 0.00 177.57 177.42 3ek6 h LEU 223 N 0.94 -0.70 -0.64 2.57 -0.00 -1.92 -1.63 115.31 113.94 3ek6 h LEU 223 Ca 0.31 0.05 0.12 0.00 -0.00 0.00 0.00 57.88 58.36 3ek6 h LEU 223 Cb 0.02 0.22 -0.09 0.00 -0.00 0.00 0.00 40.66 40.81 3ek6 h LEU 223 CO -0.11 -0.41 0.17 -0.07 -0.00 0.00 0.00 178.44 178.01 3ek6 h LEU 224 N -0.64 0.07 -0.78 1.67 3.38 -1.90 0.21 115.31 117.33 3ek6 h LEU 224 Ca -0.03 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3ek6 h LEU 224 Cb 0.54 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 3ek6 h LEU 224 CO 0.01 0.03 0.47 0.03 0.09 0.00 0.00 178.44 179.07 3ek6 h ARG 225 N 0.30 0.84 -0.30 1.13 3.08 -1.31 0.17 114.38 118.30 3ek6 h ARG 225 Ca 0.34 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.27 3ek6 h ARG 225 Cb 0.50 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3ek6 h ARG 225 CO -0.40 0.56 -0.11 0.82 -1.07 0.00 0.00 179.97 179.77 3ek6 h ILE 226 N 0.87 1.23 -0.08 2.04 2.04 -0.18 0.48 117.51 123.91 3ek6 h ILE 226 Ca 0.34 -0.98 -0.16 0.00 1.00 0.00 0.00 64.86 65.06 3ek6 h ILE 226 Cb 0.15 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3ek6 h ILE 226 CO -0.17 0.32 -0.63 -0.07 0.00 0.00 0.00 178.15 177.60 3ek6 h LEU 227 N 0.47 0.35 -1.18 1.44 3.38 0.38 -1.79 115.31 118.35 3ek6 h LEU 227 Ca 0.09 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3ek6 h LEU 227 Cb 0.47 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ek6 h LEU 227 CO 0.03 0.89 0.00 1.41 0.09 0.00 0.00 178.44 180.86 3ek6 n HIS 228 N -3.87 0.00 -1.02 1.13 8.25 0.48 0.06 115.22 120.25 3ek6 n HIS 228 Ca -0.03 -0.09 -0.01 0.00 -0.26 0.00 0.00 57.72 57.34 3ek6 n HIS 228 Cb 0.64 -0.12 -0.00 0.00 1.12 0.00 0.00 29.99 31.62 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 0.11 0.46 3.73 -1.41 0.00 -0.67 -4.79 105.19 102.61 3ek6 n GLY 229 Ca 0.00 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.02 3.52 -1.34 4.61 0.00 0.13 -4.92 121.76 121.74 3ek6 s ALA 230 Ca 0.00 1.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.87 3ek6 s ALA 230 Cb 0.00 -3.49 0.09 0.00 0.00 0.00 0.00 23.12 19.72 3ek6 s ALA 230 CO 0.00 -0.54 1.89 1.04 0.00 0.00 0.00 175.76 178.16 3ek6 n GLN 231 N 3.31 3.17 -4.61 0.00 1.13 -1.26 -4.56 117.38 114.55 3ek6 n GLN 231 Ca 0.08 -3.16 -0.33 0.00 -1.94 0.00 0.00 57.00 51.65 3ek6 n GLN 231 Cb 0.43 -3.27 -0.13 0.00 0.11 0.00 0.00 30.24 27.38 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 2.88 3.46 0.00 5.09 1.01 -1.26 -4.99 121.20 127.39 3ek6 s ILE 232 Ca 0.48 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.60 3ek6 s ILE 232 Cb 0.07 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 40.07 3ek6 s ILE 232 CO -0.00 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.07 3ek6 n GLY 233 N 3.37 -0.72 3.20 6.18 0.00 -1.26 -4.80 105.19 111.16 3ek6 n GLY 233 Ca -0.18 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 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 1.84 -0.29 2.61 2.01 0.11 -4.65 115.64 117.27 3ek6 s THR 234 Ca 0.00 -0.92 -0.14 0.00 0.31 0.00 0.00 61.69 60.94 3ek6 s THR 234 Cb 0.00 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 3ek6 s THR 234 CO 0.00 0.51 0.32 -0.22 -0.69 0.00 0.00 174.62 174.54 3ek6 s LEU 235 N 0.13 4.10 -0.20 4.42 0.20 -0.91 -0.62 118.68 125.81 3ek6 s LEU 235 Ca -0.10 0.11 -0.08 0.00 0.69 0.00 0.00 54.13 54.75 3ek6 s LEU 235 Cb -0.15 -2.32 -0.04 0.00 -0.43 0.00 0.00 46.19 43.25 3ek6 s LEU 235 CO 0.05 -0.17 0.08 -0.69 -0.29 0.00 0.00 176.35 175.33 3ek6 s VAL 236 N 1.97 4.88 -0.29 1.68 1.01 0.18 -0.14 120.40 129.69 3ek6 s VAL 236 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 3ek6 s VAL 236 Cb -0.16 -3.22 0.16 0.00 0.00 0.00 0.00 36.38 33.16 3ek6 s VAL 236 CO 0.11 0.44 1.23 -1.58 0.00 0.00 0.00 175.10 175.29 3ek6 s GLN 237 N 0.54 0.29 0.00 2.72 0.74 -0.29 -0.13 119.66 123.53 3ek6 s GLN 237 Ca 0.04 0.33 0.00 0.00 0.05 0.00 0.00 55.36 55.78 3ek6 s GLN 237 Cb -0.13 0.14 0.00 0.00 1.10 0.00 0.00 33.01 34.12 3ek6 s GLN 237 CO 0.01 -0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.12 3ek6 n GLY 238 N 1.85 -0.99 3.90 2.59 0.00 -1.26 -4.16 105.19 107.12 3ek6 n GLY 238 Ca -0.11 -1.65 -0.20 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.31 2.62 0.00 1.61 1.81 -1.26 -2.28 118.95 120.14 3ek6 s ARG 239 Ca 0.00 -1.44 0.00 0.00 -1.72 0.00 0.00 55.73 52.57 3ek6 s ARG 239 Cb 0.00 -2.46 0.00 0.00 -0.45 0.00 0.00 34.95 32.04 3ek6 s ARG 239 CO 0.00 -0.15 0.00 -1.13 -0.68 0.00 0.00 175.30 173.34