#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek6 n ASN -1 N 0.00 0.00 -4.80 6.43 3.02 -1.26 -4.59 115.26 114.06 3ek6 n ASN -1 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 3ek6 n ASN -1 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 3ek6 n ASN -1 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ek6 s ALA 0 N -1.95 3.03 -0.09 5.41 0.00 -1.26 -4.72 121.76 122.17 3ek6 s ALA 0 Ca 0.00 0.54 0.29 0.00 0.00 0.00 0.00 51.96 52.79 3ek6 s ALA 0 Cb 0.00 -3.21 1.36 0.00 0.00 0.00 0.00 23.12 21.26 3ek6 s ALA 0 CO 0.00 -0.06 1.87 1.98 0.00 0.00 0.00 175.76 179.55 3ek6 h MET 1 N 2.13 0.00 -0.24 0.00 4.05 -1.99 -1.82 114.93 117.06 3ek6 h MET 1 Ca -0.49 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 58.96 3ek6 h MET 1 Cb 1.20 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.99 3ek6 h MET 1 CO 0.61 0.00 0.16 0.77 0.23 0.00 0.00 176.91 178.68 3ek6 h SER 2 N 0.00 0.18 0.47 1.39 0.02 -1.94 -2.99 113.55 110.68 3ek6 h SER 2 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ek6 h SER 2 Cb 0.24 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3ek6 h SER 2 CO 0.00 0.13 -0.20 -0.62 -1.14 0.00 0.00 176.83 175.00 3ek6 n GLU 3 N -4.50 0.46 -2.30 3.45 -0.58 -0.68 -4.89 120.64 111.60 3ek6 n GLU 3 Ca 0.01 -0.19 -0.43 0.00 -0.42 0.00 0.00 57.16 56.14 3ek6 n GLU 3 Cb 0.16 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.51 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 -2.67 4.10 0.10 -4.62 1.43 -1.13 -4.26 118.68 111.63 3ek6 s LEU 4 Ca 0.22 1.68 0.24 0.00 -1.03 0.00 0.00 54.13 55.24 3ek6 s LEU 4 Cb 0.19 -3.54 0.27 0.00 0.03 0.00 0.00 46.19 43.14 3ek6 s LEU 4 CO 0.54 -0.93 1.24 -1.20 0.23 0.00 0.00 176.35 176.23 3ek6 n SER 5 N 7.20 0.67 -3.71 2.29 7.64 0.21 -4.82 113.62 123.10 3ek6 n SER 5 Ca 0.15 0.03 -0.17 0.00 1.01 0.00 0.00 58.87 59.90 3ek6 n SER 5 Cb 0.45 0.33 -0.16 0.00 -1.01 0.00 0.00 64.21 63.82 3ek6 n SER 5 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3ek6 s TYR 6 N -3.17 -0.06 -0.16 1.43 2.02 -1.23 -4.97 117.35 111.21 3ek6 s TYR 6 Ca 0.06 0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 56.93 3ek6 s TYR 6 Cb 0.14 -0.28 -0.24 0.00 -0.40 0.00 0.00 41.96 41.18 3ek6 s TYR 6 CO 0.74 -0.19 0.45 -0.09 -1.57 0.00 0.00 175.55 174.89 3ek6 h ARG 7 N 7.91 0.09 -4.90 -0.62 1.12 -1.94 -3.45 114.38 112.60 3ek6 h ARG 7 Ca -0.26 -0.16 -0.65 0.00 -1.11 0.00 0.00 59.98 57.80 3ek6 h ARG 7 Cb 1.12 0.06 -0.35 0.00 -0.01 0.00 0.00 29.97 30.79 3ek6 h ARG 7 CO 0.28 1.08 -0.85 0.50 -3.11 0.00 0.00 179.97 177.87 3ek6 s ARG 8 N -2.38 2.69 0.20 0.20 3.52 -1.26 -0.77 118.95 121.14 3ek6 s ARG 8 Ca -0.24 -0.76 0.09 0.00 -0.13 0.00 0.00 55.73 54.69 3ek6 s ARG 8 Cb 0.04 -2.42 -0.04 0.00 -1.56 0.00 0.00 34.95 30.96 3ek6 s ARG 8 CO 0.68 -0.24 -0.17 0.96 -0.81 0.00 0.00 175.30 175.71 3ek6 s ILE 9 N 1.35 1.91 -0.13 4.11 -4.36 -0.35 0.81 121.20 124.54 3ek6 s ILE 9 Ca 0.04 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 3ek6 s ILE 9 Cb -0.13 -1.99 0.02 0.00 1.25 0.00 0.00 42.46 41.61 3ek6 s ILE 9 CO -0.12 -0.41 -0.13 -0.22 0.24 0.00 0.00 174.94 174.30 3ek6 s LEU 10 N -3.00 1.57 -0.20 0.37 0.20 -0.41 -1.46 118.68 115.75 3ek6 s LEU 10 Ca 0.20 -0.43 -0.11 0.00 0.69 0.00 0.00 54.13 54.48 3ek6 s LEU 10 Cb -0.04 -1.08 -0.05 0.00 -0.43 0.00 0.00 46.19 44.59 3ek6 s LEU 10 CO 0.08 -0.06 0.19 -0.22 -0.29 0.00 0.00 176.35 176.06 3ek6 s LEU 11 N 1.43 4.20 -0.11 -0.68 2.96 -0.42 -0.63 118.68 125.43 3ek6 s LEU 11 Ca 0.03 0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 3ek6 s LEU 11 Cb -0.13 -2.19 -0.01 0.00 0.50 0.00 0.00 46.19 44.36 3ek6 s LEU 11 CO -0.08 0.12 -0.18 -0.75 -1.32 0.00 0.00 176.35 174.14 3ek6 s LYS 12 N 0.59 3.15 0.07 1.98 2.36 0.32 -0.35 119.74 127.86 3ek6 s LYS 12 Ca 0.11 -0.77 0.04 0.00 -2.55 0.00 0.00 55.97 52.80 3ek6 s LYS 12 Cb -0.12 -2.46 -0.03 0.00 -1.05 0.00 0.00 37.83 34.17 3ek6 s LYS 12 CO 0.01 0.24 -0.12 -0.51 1.55 0.00 0.00 175.35 176.53 3ek6 s LEU 13 N 0.24 2.30 0.60 5.43 1.02 0.35 -1.53 118.68 127.09 3ek6 s LEU 13 Ca -0.12 -0.65 -0.15 0.00 0.02 0.00 0.00 54.13 53.24 3ek6 s LEU 13 Cb -0.16 -0.39 -0.04 0.00 0.02 0.00 0.00 46.19 45.62 3ek6 s LEU 13 CO 0.06 -0.15 1.04 -0.94 0.02 0.00 0.00 176.35 176.39 3ek6 s SER 14 N -1.88 5.93 0.27 2.29 1.04 -1.26 -0.56 113.70 119.53 3ek6 s SER 14 Ca -0.02 1.69 -0.04 0.00 0.48 0.00 0.00 55.95 58.06 3ek6 s SER 14 Cb -0.08 -2.52 0.33 0.00 0.10 0.00 0.00 66.02 63.86 3ek6 s SER 14 CO 0.01 -1.07 1.91 1.23 0.98 0.00 0.00 173.24 176.31 3ek6 h GLY 15 N 0.26 1.24 2.00 7.32 0.00 -1.87 -2.80 103.07 109.22 3ek6 h GLY 15 Ca -0.46 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.35 3ek6 h GLY 15 CO 0.59 0.50 -0.02 1.05 0.00 0.00 0.00 176.54 178.66 3ek6 h GLU 16 N 1.18 0.00 0.00 4.80 9.09 -1.87 0.52 114.58 128.30 3ek6 h GLU 16 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.72 3ek6 h GLU 16 Cb -0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.06 3ek6 h GLU 16 CO -0.06 0.02 0.18 0.00 0.05 0.00 0.00 179.01 179.20 3ek6 n ALA 17 N -2.40 0.75 -0.05 1.06 0.00 -1.06 -1.60 120.51 117.22 3ek6 n ALA 17 Ca -0.03 0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.49 3ek6 n ALA 17 Cb 0.10 -0.90 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 3ek6 n ALA 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ek6 n LEU 18 N -1.92 0.26 0.13 0.00 7.99 0.18 -4.44 117.00 119.19 3ek6 n LEU 18 Ca -0.01 0.11 0.04 0.00 -0.01 0.00 0.00 56.01 56.15 3ek6 n LEU 18 Cb 0.20 0.27 0.46 0.00 -0.11 0.00 0.00 43.42 44.24 3ek6 n LEU 18 CO 0.05 0.30 0.99 0.24 -1.51 0.00 0.00 177.39 177.46 3ek6 h MET 19 N 0.00 0.23 0.00 3.23 2.86 -1.33 -0.95 114.93 118.97 3ek6 h MET 19 Ca -0.32 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 3ek6 h MET 19 Cb 1.81 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.43 3ek6 h MET 19 CO 0.03 0.28 0.00 0.41 1.06 0.00 0.00 176.91 178.69 3ek6 n GLY 20 N -1.16 3.04 0.11 8.32 0.00 -1.25 -2.61 105.19 111.65 3ek6 n GLY 20 Ca -0.01 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 3ek6 n GLY 20 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ek6 h ASP 21 N 0.00 0.21 -3.84 1.61 3.32 -1.95 -3.47 116.42 112.29 3ek6 h ASP 21 Ca 0.00 -0.18 -0.48 0.00 0.02 0.00 0.00 57.03 56.40 3ek6 h ASP 21 Cb 0.00 -0.06 0.19 0.00 0.22 0.00 0.00 39.33 39.67 3ek6 h ASP 21 CO 0.00 1.00 0.15 -0.83 -1.72 0.00 0.00 179.24 177.85 3ek6 s GLY 22 N -4.55 1.61 -0.17 2.75 0.00 -1.07 -4.94 107.32 100.95 3ek6 s GLY 22 Ca -0.02 0.12 0.16 0.00 0.00 0.00 0.00 44.72 44.98 3ek6 s GLY 22 CO 0.83 0.67 1.66 2.09 0.00 0.00 0.00 173.10 178.35 3ek6 n ASP 23 N -4.37 5.09 -3.54 1.64 3.85 -1.26 -4.89 116.55 113.06 3ek6 n ASP 23 Ca 0.07 -2.70 -0.15 0.00 -0.71 0.00 0.00 54.79 51.30 3ek6 n ASP 23 Cb 0.54 -0.62 -0.05 0.00 -1.35 0.00 0.00 41.12 39.64 3ek6 n ASP 23 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 3ek6 s TYR 24 N -2.31 -0.54 0.00 2.11 5.04 -1.26 -5.00 117.35 115.38 3ek6 s TYR 24 Ca 0.51 0.90 0.00 0.00 -2.44 0.00 0.00 57.07 56.05 3ek6 s TYR 24 Cb 0.36 0.43 0.00 0.00 0.35 0.00 0.00 41.96 43.11 3ek6 s TYR 24 CO 0.19 -0.52 0.00 0.41 -1.34 0.00 0.00 175.55 174.29 3ek6 n GLY 25 N 0.77 2.27 3.10 8.97 0.00 -0.14 -4.75 105.19 115.42 3ek6 n GLY 25 Ca -0.16 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 1.69 -0.38 -0.61 1.01 -1.26 -3.47 121.20 118.18 3ek6 s ILE 26 Ca 0.00 -0.76 -0.27 0.00 0.00 0.00 0.00 60.65 59.61 3ek6 s ILE 26 Cb 0.00 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.97 3ek6 s ILE 26 CO 0.00 0.48 1.02 -0.62 0.00 0.00 0.00 174.94 175.82 3ek6 s ASP 27 N 0.88 6.74 0.55 3.58 3.68 -0.36 -4.92 116.67 126.82 3ek6 s ASP 27 Ca -0.08 0.69 0.25 0.00 2.13 0.00 0.00 52.55 55.54 3ek6 s ASP 27 Cb -0.15 -2.51 1.46 0.00 -1.45 0.00 0.00 42.92 40.27 3ek6 s ASP 27 CO -0.01 -0.95 2.06 1.55 0.13 0.00 0.00 175.17 177.95 3ek6 h PRO 28 N 8.53 0.00 -0.05 4.34 0.13 -1.94 -1.61 132.00 141.40 3ek6 h PRO 28 Ca -0.22 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 3ek6 h PRO 28 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3ek6 h PRO 28 CO 1.03 0.00 -0.11 -0.22 -0.23 0.00 0.00 178.00 178.47 3ek6 h LYS 29 N 0.00 0.17 -0.43 0.86 3.11 -1.95 -2.48 116.57 115.85 3ek6 h LYS 29 Ca 0.14 -0.11 0.05 0.00 -2.81 0.00 0.00 60.65 57.92 3ek6 h LYS 29 Cb 0.64 0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.84 3ek6 h LYS 29 CO -0.00 0.70 0.17 0.28 -2.81 0.00 0.00 179.45 177.79 3ek6 h VAL 30 N -0.34 0.89 -0.02 2.00 2.07 -1.63 -1.67 116.25 117.54 3ek6 h VAL 30 Ca 0.00 -0.12 -0.13 0.00 0.82 0.00 0.00 66.70 67.27 3ek6 h VAL 30 Cb 0.70 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3ek6 h VAL 30 CO 0.02 0.06 -0.58 -0.29 0.02 0.00 0.00 177.57 176.80 3ek6 h ILE 31 N 0.35 1.41 -0.15 4.57 2.10 -1.40 -1.75 117.51 122.63 3ek6 h ILE 31 Ca 0.20 -1.98 -0.19 0.00 1.08 0.00 0.00 64.86 63.96 3ek6 h ILE 31 Cb 0.17 2.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.94 3ek6 h ILE 31 CO -0.19 0.57 -0.68 -1.13 -1.08 0.00 0.00 178.15 175.64 3ek6 h ASN 32 N 0.06 0.73 -0.43 2.19 -1.24 -1.32 -2.04 115.58 113.53 3ek6 h ASN 32 Ca -0.01 -0.45 -0.01 0.00 0.71 0.00 0.00 56.30 56.55 3ek6 h ASN 32 Cb 1.05 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.87 3ek6 h ASN 32 CO 0.08 1.21 0.23 -0.09 -1.29 0.00 0.00 177.43 177.57 3ek6 h ARG 33 N 0.45 0.60 -0.64 6.67 2.43 -1.10 -2.83 114.38 119.95 3ek6 h ARG 33 Ca -0.02 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3ek6 h ARG 33 Cb 1.28 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 3ek6 h ARG 33 CO 0.13 0.48 0.27 1.25 -1.51 0.00 0.00 179.97 180.59 3ek6 h LEU 34 N 0.56 0.87 -1.18 3.80 7.12 -1.19 -1.73 115.31 123.56 3ek6 h LEU 34 Ca 0.15 -0.16 0.04 0.00 0.13 0.00 0.00 57.88 58.04 3ek6 h LEU 34 Cb 0.05 -0.22 -0.05 0.00 -0.53 0.00 0.00 40.66 39.91 3ek6 h LEU 34 CO -0.02 0.79 0.57 0.00 -0.13 0.00 0.00 178.44 179.64 3ek6 h ALA 35 N 1.12 1.47 -0.21 1.25 0.00 -1.32 -0.63 119.26 120.94 3ek6 h ALA 35 Ca 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3ek6 h ALA 35 Cb 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3ek6 h ALA 35 CO -0.02 0.45 0.02 1.25 0.00 0.00 0.00 179.25 180.94 3ek6 h HIS 36 N 1.07 0.38 -0.68 0.00 -0.00 -1.17 0.26 115.15 115.00 3ek6 h HIS 36 Ca 0.34 -0.06 0.05 0.00 -0.00 0.00 0.00 60.37 60.70 3ek6 h HIS 36 Cb 0.03 -0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 27.29 3ek6 h HIS 36 CO -0.00 0.52 0.40 0.93 -0.00 0.00 0.00 177.93 179.79 3ek6 h GLU 37 N 0.14 0.74 -0.37 5.26 4.39 -0.87 -0.53 114.58 123.34 3ek6 h GLU 37 Ca 0.06 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 3ek6 h GLU 37 Cb 0.36 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3ek6 h GLU 37 CO 0.01 0.49 -0.33 0.28 -1.16 0.00 0.00 179.01 178.30 3ek6 h VAL 38 N 0.76 1.28 -0.49 3.13 2.07 -0.98 -1.93 116.25 120.09 3ek6 h VAL 38 Ca 0.29 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 3ek6 h VAL 38 Cb 0.11 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3ek6 h VAL 38 CO -0.15 0.50 0.06 0.40 0.02 0.00 0.00 177.57 178.40 3ek6 h ILE 39 N 0.68 1.23 -0.16 4.57 2.04 -0.27 -1.62 117.51 123.98 3ek6 h ILE 39 Ca 0.06 -0.88 -0.12 0.00 1.00 0.00 0.00 64.86 64.93 3ek6 h ILE 39 Cb 0.92 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3ek6 h ILE 39 CO 0.08 0.32 -0.42 -0.08 0.00 0.00 0.00 178.15 178.05 3ek6 h GLU 40 N 0.73 0.36 -0.40 2.37 4.81 -1.05 -0.44 114.58 120.96 3ek6 h GLU 40 Ca 0.15 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 3ek6 h GLU 40 Cb 0.36 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3ek6 h GLU 40 CO 0.01 0.72 -0.00 0.00 -0.73 0.00 0.00 179.01 179.00 3ek6 h ALA 41 N 1.26 0.54 -0.13 2.92 0.00 -0.92 -2.98 119.26 119.95 3ek6 h ALA 41 Ca 0.03 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 3ek6 h ALA 41 Cb 0.86 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3ek6 h ALA 41 CO 0.07 0.33 -0.48 0.37 0.00 0.00 0.00 179.25 179.53 3ek6 h GLN 42 N 0.54 0.35 0.00 0.00 5.75 -1.10 -2.91 115.11 117.74 3ek6 h GLN 42 Ca 0.11 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 3ek6 h GLN 42 Cb 0.48 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.04 3ek6 h GLN 42 CO 0.02 0.76 -0.10 1.96 -2.65 0.00 0.00 178.83 178.82 3ek6 h GLN 43 N 0.28 0.00 -0.05 1.69 4.20 -1.04 -1.26 115.11 118.93 3ek6 h GLN 43 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3ek6 h GLN 43 Cb 0.95 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.73 3ek6 h GLN 43 CO 0.08 0.10 0.00 0.00 -0.67 0.00 0.00 178.83 178.34 3ek6 n ALA 44 N -2.17 2.58 -0.03 3.87 0.00 -1.11 -4.20 120.51 119.45 3ek6 n ALA 44 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3ek6 n ALA 44 Cb 0.32 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.86 0.34 3.77 0.00 0.00 -0.48 -4.66 105.19 105.02 3ek6 n GLY 45 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.10 3.52 -0.45 4.61 0.00 -1.16 -4.98 121.76 121.21 3ek6 s ALA 46 Ca 0.00 1.29 -0.22 0.00 0.00 0.00 0.00 51.96 53.02 3ek6 s ALA 46 Cb 0.00 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.65 3ek6 s ALA 46 CO 0.00 -0.68 0.74 -0.65 0.00 0.00 0.00 175.76 175.17 3ek6 s GLN 47 N -1.53 3.36 -0.21 0.00 -0.21 0.05 -4.34 119.66 116.78 3ek6 s GLN 47 Ca 0.51 -0.19 -0.06 0.00 0.02 0.00 0.00 55.36 55.63 3ek6 s GLN 47 Cb -0.40 -3.94 -0.03 0.00 1.00 0.00 0.00 33.01 29.63 3ek6 s GLN 47 CO 0.52 -1.09 0.03 0.08 -2.12 0.00 0.00 175.29 172.71 3ek6 s VAL 48 N 3.15 4.22 0.09 1.09 1.01 -1.26 -1.21 120.40 127.48 3ek6 s VAL 48 Ca 0.28 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.09 3ek6 s VAL 48 Cb -0.13 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3ek6 s VAL 48 CO 0.21 0.40 -0.03 0.00 0.00 0.00 0.00 175.10 175.68 3ek6 s ALA 49 N 1.09 3.18 -0.02 5.51 0.00 -0.54 -1.54 121.76 129.44 3ek6 s ALA 49 Ca 0.03 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.89 3ek6 s ALA 49 Cb -0.14 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.86 3ek6 s ALA 49 CO 0.02 0.68 -0.14 -0.51 0.00 0.00 0.00 175.76 175.81 3ek6 s LEU 50 N -2.20 1.99 -0.08 0.00 1.02 0.19 -1.30 118.68 118.30 3ek6 s LEU 50 Ca 0.24 -0.26 -0.01 0.00 0.02 0.00 0.00 54.13 54.12 3ek6 s LEU 50 Cb -0.11 -0.73 0.03 0.00 0.02 0.00 0.00 46.19 45.39 3ek6 s LEU 50 CO 0.16 0.16 -0.01 -0.69 0.02 0.00 0.00 176.35 175.99 3ek6 s VAL 51 N -0.23 0.48 -0.08 -1.59 1.01 0.53 -0.86 120.40 119.65 3ek6 s VAL 51 Ca 0.03 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.12 3ek6 s VAL 51 Cb -0.06 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 3ek6 s VAL 51 CO -0.00 0.28 -0.23 -0.63 0.00 0.00 0.00 175.10 174.52 3ek6 s ILE 52 N 1.92 2.20 0.43 2.22 1.01 -1.26 -0.50 121.20 127.23 3ek6 s ILE 52 Ca 0.05 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.63 3ek6 s ILE 52 Cb -0.12 -1.83 0.10 0.00 0.01 0.00 0.00 42.46 40.62 3ek6 s ILE 52 CO -0.06 0.56 0.47 0.61 0.00 0.00 0.00 174.94 176.53 3ek6 n GLY 53 N 3.22 -1.93 0.08 6.18 0.00 0.28 -4.79 105.19 108.24 3ek6 n GLY 53 Ca -0.18 -1.57 0.01 0.00 0.00 0.00 0.00 46.02 44.27 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 0.61 0.13 0.08 -0.02 0.00 -1.26 -3.31 105.19 101.41 3ek6 n GLY 54 Ca 0.06 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.05 -0.75 0.22 -0.02 0.00 -1.26 -1.11 105.19 102.23 3ek6 n GLY 55 Ca 0.01 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3ek6 n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3ek6 h ASN 56 N 0.00 0.00 0.00 1.61 -0.00 -1.86 -3.39 115.58 111.94 3ek6 h ASN 56 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.30 56.12 3ek6 h ASN 56 Cb 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.33 3ek6 h ASN 56 CO 0.00 0.08 -1.61 -0.38 -0.00 0.00 0.00 177.43 175.52 3ek6 n ILE 57 N -3.14 0.60 -2.61 6.14 5.41 -0.67 -0.96 119.36 124.13 3ek6 n ILE 57 Ca 0.03 -0.17 -0.43 0.00 1.00 0.00 0.00 62.75 63.18 3ek6 n ILE 57 Cb 0.50 -1.44 -0.01 0.00 -0.71 0.00 0.00 39.64 37.98 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 -2.20 2.77 0.21 1.39 5.99 -0.27 -4.89 117.98 120.98 3ek6 s PHE 58 Ca -0.15 -1.44 -0.21 0.00 0.00 0.00 0.00 56.93 55.14 3ek6 s PHE 58 Cb 0.05 -4.70 0.04 0.00 0.00 0.00 0.00 43.02 38.42 3ek6 s PHE 58 CO 0.21 -1.81 0.62 -0.98 -0.00 0.00 0.00 175.22 173.26 3ek6 s ARG 59 N 4.20 1.49 0.00 10.12 1.70 -1.26 -4.60 118.95 130.60 3ek6 s ARG 59 Ca 0.50 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.99 3ek6 s ARG 59 Cb 0.02 0.58 0.00 0.00 -0.57 0.00 0.00 34.95 34.98 3ek6 s ARG 59 CO 0.02 -0.66 0.00 0.41 -1.08 0.00 0.00 175.30 173.99 3ek6 n GLY 60 N -0.40 -0.64 0.31 3.88 0.00 -1.26 -4.31 105.19 102.77 3ek6 n GLY 60 Ca -0.10 -1.58 0.18 0.00 0.00 0.00 0.00 46.02 44.52 3ek6 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek6 h ALA 61 N 0.00 1.20 0.09 4.61 0.00 -2.00 0.43 119.26 123.59 3ek6 h ALA 61 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 3ek6 h ALA 61 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ek6 h ALA 61 CO 0.00 0.03 -1.16 0.78 0.00 0.00 0.00 179.25 178.90 3ek6 h GLY 62 N 0.36 0.35 0.00 0.00 0.00 -1.99 -3.25 103.07 98.52 3ek6 h GLY 62 Ca -0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.50 3ek6 h GLY 62 CO 0.00 0.69 -0.98 1.04 0.00 0.00 0.00 176.54 177.30 3ek6 n LEU 63 N -3.59 1.90 -3.13 3.11 4.77 -1.02 -4.53 117.00 114.51 3ek6 n LEU 63 Ca -0.08 0.42 -0.35 0.00 -0.03 0.00 0.00 56.01 55.97 3ek6 n LEU 63 Cb 0.97 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3ek6 n LEU 63 CO 0.53 -0.25 2.38 0.00 -1.33 0.00 0.00 177.39 178.72 3ek6 n ALA 64 N -4.19 6.87 -1.73 -1.18 0.00 0.11 -4.92 120.51 115.47 3ek6 n ALA 64 Ca -0.15 -3.58 -0.42 0.00 0.00 0.00 0.00 53.44 49.28 3ek6 n ALA 64 Cb 0.48 -2.73 -0.02 0.00 0.00 0.00 0.00 19.45 17.17 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 1.99 2.78 -0.01 0.00 0.00 -1.23 -4.60 120.51 119.44 3ek6 n ALA 65 Ca 0.62 0.39 -0.11 0.00 0.00 0.00 0.00 53.44 54.33 3ek6 n ALA 65 Cb 0.36 -2.51 -0.05 0.00 0.00 0.00 0.00 19.45 17.25 3ek6 n ALA 65 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ek6 h SER 66 N 5.95 -1.21 -3.50 0.00 0.87 -1.94 -3.15 113.55 110.58 3ek6 h SER 66 Ca -0.45 0.17 -0.78 0.00 -1.23 0.00 0.00 61.79 59.50 3ek6 h SER 66 Cb 1.21 0.50 -0.26 0.00 -0.44 0.00 0.00 62.40 63.42 3ek6 h SER 66 CO 0.89 -0.40 0.40 -0.83 -0.53 0.00 0.00 176.83 176.36 3ek6 s GLY 67 N -2.60 2.86 0.07 5.77 0.00 -1.26 -5.00 107.32 107.16 3ek6 s GLY 67 Ca -0.15 -3.53 0.00 0.00 0.00 0.00 0.00 44.72 41.04 3ek6 s GLY 67 CO 0.65 1.39 -0.04 -0.29 0.00 0.00 0.00 173.10 174.81 3ek6 s MET 68 N -0.23 0.68 0.06 2.90 0.00 -1.19 -5.12 119.30 116.40 3ek6 s MET 68 Ca 0.26 -1.24 -0.31 0.00 0.00 0.00 0.00 55.69 54.41 3ek6 s MET 68 Cb -0.09 0.05 -0.09 0.00 0.00 0.00 0.00 34.83 34.70 3ek6 s MET 68 CO -0.08 -0.07 1.78 0.34 0.00 0.00 0.00 175.02 176.98 3ek6 s ASP 69 N -2.91 6.52 0.35 1.11 2.15 -1.26 -4.88 116.67 117.76 3ek6 s ASP 69 Ca 0.08 2.58 0.09 0.00 0.43 0.00 0.00 52.55 55.73 3ek6 s ASP 69 Cb 0.06 -2.55 0.66 0.00 -0.30 0.00 0.00 42.92 40.79 3ek6 s ASP 69 CO -0.08 -0.96 1.83 -0.09 -0.17 0.00 0.00 175.17 175.69 3ek6 h ARG 70 N 9.04 0.18 -0.08 4.34 2.43 -1.98 -2.09 114.38 126.22 3ek6 h ARG 70 Ca -0.45 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 3ek6 h ARG 70 Cb 1.21 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3ek6 h ARG 70 CO 0.94 0.45 0.02 0.28 -1.51 0.00 0.00 179.97 180.16 3ek6 h VAL 71 N 0.16 1.17 -0.28 0.20 2.07 -1.99 0.35 116.25 117.94 3ek6 h VAL 71 Ca 0.02 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 3ek6 h VAL 71 Cb 0.58 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 3ek6 h VAL 71 CO 0.04 0.15 -0.18 0.71 0.02 0.00 0.00 177.57 178.31 3ek6 h THR 72 N -0.06 1.24 -0.29 2.57 1.35 -1.91 0.11 112.91 115.92 3ek6 h THR 72 Ca 0.02 -1.12 -0.12 0.00 -0.55 0.00 0.00 66.41 64.64 3ek6 h THR 72 Cb 0.21 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 3ek6 h THR 72 CO -0.00 0.36 -0.32 1.23 -0.25 0.00 0.00 175.52 176.54 3ek6 h GLY 73 N 0.96 0.67 0.89 5.82 0.00 -1.18 0.23 103.07 110.46 3ek6 h GLY 73 Ca 0.08 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 3ek6 h GLY 73 CO 0.04 0.56 -0.04 -0.55 0.00 0.00 0.00 176.54 176.54 3ek6 h ASP 74 N 0.52 0.56 -0.45 0.19 3.45 0.29 -1.53 116.42 119.45 3ek6 h ASP 74 Ca 0.06 -0.34 0.08 0.00 0.43 0.00 0.00 57.03 57.26 3ek6 h ASP 74 Cb 0.81 -0.15 -0.07 0.00 -0.56 0.00 0.00 39.33 39.36 3ek6 h ASP 74 CO 0.07 0.77 0.04 0.45 -1.57 0.00 0.00 179.24 179.00 3ek6 h HIS 75 N 0.34 0.04 -0.77 4.55 3.86 -0.69 0.15 115.15 122.63 3ek6 h HIS 75 Ca 0.08 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 3ek6 h HIS 75 Cb 0.51 0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.99 3ek6 h HIS 75 CO 0.04 -0.06 0.50 0.52 0.86 0.00 0.00 177.93 179.80 3ek6 h MET 76 N 0.16 1.02 -0.71 2.45 2.86 -0.87 -1.83 114.93 118.01 3ek6 h MET 76 Ca 0.23 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 3ek6 h MET 76 Cb 0.32 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3ek6 h MET 76 CO -0.34 0.69 0.25 0.78 1.06 0.00 0.00 176.91 179.35 3ek6 h GLY 77 N 1.05 1.15 1.03 8.32 0.00 -0.74 -1.53 103.07 112.34 3ek6 h GLY 77 Ca 0.28 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 3ek6 h GLY 77 CO -0.06 0.60 0.21 -0.33 0.00 0.00 0.00 176.54 176.96 3ek6 h MET 78 N 1.04 1.04 -0.61 4.80 2.86 -0.09 -2.33 114.93 121.63 3ek6 h MET 78 Ca 0.23 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 3ek6 h MET 78 Cb 0.25 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3ek6 h MET 78 CO -0.01 0.90 0.08 -0.07 1.06 0.00 0.00 176.91 178.86 3ek6 h LEU 79 N 0.97 0.97 -1.03 1.22 3.38 -1.11 -2.54 115.31 117.17 3ek6 h LEU 79 Ca 0.22 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3ek6 h LEU 79 Cb 0.30 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3ek6 h LEU 79 CO -0.01 0.98 0.65 0.00 0.09 0.00 0.00 178.44 180.15 3ek6 h ALA 80 N 1.13 1.38 -0.10 1.53 0.00 -1.08 -2.04 119.26 120.09 3ek6 h ALA 80 Ca 0.19 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3ek6 h ALA 80 Cb 0.44 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ek6 h ALA 80 CO 0.01 0.51 -0.30 1.79 0.00 0.00 0.00 179.25 181.26 3ek6 h THR 81 N 1.22 1.25 -0.58 0.00 1.35 -1.02 -1.63 112.91 113.49 3ek6 h THR 81 Ca 0.41 -1.18 -0.08 0.00 -0.55 0.00 0.00 66.41 65.00 3ek6 h THR 81 Cb 0.07 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 3ek6 h THR 81 CO -0.14 0.35 0.05 0.58 -0.25 0.00 0.00 175.52 176.11 3ek6 h VAL 82 N 0.16 1.26 -0.20 6.82 2.07 -1.08 -1.08 116.25 124.20 3ek6 h VAL 82 Ca 0.02 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3ek6 h VAL 82 Cb 0.61 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3ek6 h VAL 82 CO 0.04 0.39 0.11 0.40 0.02 0.00 0.00 177.57 178.53 3ek6 h ILE 83 N 0.89 1.12 -0.90 4.57 2.04 -0.92 -1.64 117.51 122.67 3ek6 h ILE 83 Ca 0.17 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.73 3ek6 h ILE 83 Cb 0.48 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 3ek6 h ILE 83 CO 0.02 0.12 0.58 0.78 0.00 0.00 0.00 178.15 179.65 3ek6 h ASN 84 N 0.21 0.98 -0.62 1.72 -0.26 -1.27 -2.05 115.58 114.29 3ek6 h ASN 84 Ca 0.07 -0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.75 3ek6 h ASN 84 Cb 0.09 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.10 3ek6 h ASN 84 CO -0.01 0.68 0.19 0.00 -1.06 0.00 0.00 177.43 177.23 3ek6 h ALA 85 N 1.37 1.11 -0.71 -0.83 0.00 -0.74 -0.91 119.26 118.54 3ek6 h ALA 85 Ca 0.35 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3ek6 h ALA 85 Cb -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3ek6 h ALA 85 CO -0.11 0.61 0.28 -0.07 0.00 0.00 0.00 179.25 179.96 3ek6 h LEU 86 N 0.97 0.98 -0.27 0.00 4.07 -0.93 0.11 115.31 120.25 3ek6 h LEU 86 Ca 0.21 -0.17 -0.07 0.00 0.08 0.00 0.00 57.88 57.93 3ek6 h LEU 86 Cb 0.29 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 3ek6 h LEU 86 CO -0.01 0.89 -0.10 0.00 -1.08 0.00 0.00 178.44 178.14 3ek6 h ALA 87 N 1.13 0.37 -0.49 1.53 0.00 -0.99 -1.59 119.26 119.22 3ek6 h ALA 87 Ca 0.24 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ek6 h ALA 87 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3ek6 h ALA 87 CO -0.02 0.21 0.30 0.52 0.00 0.00 0.00 179.25 180.26 3ek6 h MET 88 N 0.28 0.58 -0.45 0.00 2.86 -0.98 -0.93 114.93 116.29 3ek6 h MET 88 Ca 0.06 -0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.76 3ek6 h MET 88 Cb 0.59 -0.13 -0.08 0.00 0.06 0.00 0.00 31.60 32.04 3ek6 h MET 88 CO 0.03 0.38 -0.07 0.37 1.06 0.00 0.00 176.91 178.68 3ek6 h GLN 89 N 0.60 0.03 -0.17 1.72 4.15 -0.69 -0.99 115.11 119.76 3ek6 h GLN 89 Ca 0.19 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 3ek6 h GLN 89 Cb -0.00 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3ek6 h GLN 89 CO -0.08 0.02 0.08 0.22 -1.93 0.00 0.00 178.83 177.14 3ek6 h ASP 90 N 0.03 0.23 -0.64 -0.69 3.58 -0.55 -0.25 116.42 118.13 3ek6 h ASP 90 Ca 0.22 -0.14 0.04 0.00 0.42 0.00 0.00 57.03 57.56 3ek6 h ASP 90 Cb 0.33 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.28 3ek6 h ASP 90 CO -0.43 0.31 0.38 0.00 -2.88 0.00 0.00 179.24 176.62 3ek6 h ALA 91 N 0.93 0.84 0.03 -0.78 0.00 -1.03 -2.01 119.26 117.23 3ek6 h ALA 91 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ek6 h ALA 91 Cb 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ek6 h ALA 91 CO -0.01 0.11 -0.01 -0.07 0.00 0.00 0.00 179.25 179.27 3ek6 h LEU 92 N 0.74 -0.03 -2.28 0.00 3.38 -0.94 -2.76 115.31 113.43 3ek6 h LEU 92 Ca 0.26 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ek6 h LEU 92 Cb 0.06 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3ek6 h LEU 92 CO -0.12 0.28 0.02 -0.33 0.09 0.00 0.00 178.44 178.37 3ek6 h GLU 93 N -0.35 0.00 0.00 1.13 5.08 -0.98 0.67 114.58 120.13 3ek6 h GLU 93 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3ek6 h GLU 93 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3ek6 h GLU 93 CO 0.01 0.00 -0.13 -0.22 -1.00 0.00 0.00 179.01 177.67 3ek6 h LYS 94 N 0.00 0.00 -0.51 2.33 1.63 -1.07 -2.01 116.57 116.94 3ek6 h LYS 94 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3ek6 h LYS 94 Cb 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 3ek6 h LYS 94 CO -0.00 0.13 0.00 1.28 -3.45 0.00 0.00 179.45 177.41 3ek6 n LEU 95 N -3.47 4.24 0.00 5.20 4.77 0.20 -4.95 117.00 123.00 3ek6 n LEU 95 Ca -0.01 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.49 3ek6 n LEU 95 Cb 0.29 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3ek6 n LEU 95 CO 0.30 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 3ek6 n GLY 96 N 0.67 0.73 3.84 -0.72 0.00 -0.76 -5.05 105.19 103.91 3ek6 n GLY 96 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.23 3.26 -0.13 4.61 0.00 -1.07 -4.99 121.76 121.20 3ek6 s ALA 97 Ca 0.00 0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.87 3ek6 s ALA 97 Cb 0.00 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 3ek6 s ALA 97 CO 0.00 0.25 0.53 0.15 0.00 0.00 0.00 175.76 176.69 3ek6 s LYS 98 N -3.11 4.32 0.05 0.00 -0.14 -1.26 -4.03 119.74 115.57 3ek6 s LYS 98 Ca 0.56 0.52 0.04 0.00 -1.36 0.00 0.00 55.97 55.73 3ek6 s LYS 98 Cb -0.10 -3.47 -0.03 0.00 -1.68 0.00 0.00 37.83 32.55 3ek6 s LYS 98 CO 0.18 0.06 -0.12 0.08 -0.76 0.00 0.00 175.35 174.79 3ek6 s VAL 99 N 0.94 0.88 -0.04 3.17 1.01 -1.26 -0.51 120.40 124.59 3ek6 s VAL 99 Ca 0.28 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3ek6 s VAL 99 Cb -0.16 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.37 3ek6 s VAL 99 CO 0.11 -0.24 -0.01 -0.13 0.00 0.00 0.00 175.10 174.83 3ek6 s ARG 100 N -1.56 0.47 -0.21 2.72 1.81 -0.13 -4.90 118.95 117.14 3ek6 s ARG 100 Ca -0.04 0.05 -0.13 0.00 -1.72 0.00 0.00 55.73 53.89 3ek6 s ARG 100 Cb -0.09 -0.67 -0.05 0.00 -0.45 0.00 0.00 34.95 33.69 3ek6 s ARG 100 CO 0.01 -0.16 0.26 0.08 -0.68 0.00 0.00 175.30 174.81 3ek6 s VAL 101 N 1.24 5.30 -0.11 3.52 1.01 -1.26 -0.68 120.40 129.43 3ek6 s VAL 101 Ca -0.06 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.35 3ek6 s VAL 101 Cb -0.13 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.67 3ek6 s VAL 101 CO -0.02 0.33 -0.16 -0.04 0.00 0.00 0.00 175.10 175.21 3ek6 s MET 102 N 0.99 2.27 -0.05 2.72 -1.94 0.84 -1.65 119.30 122.48 3ek6 s MET 102 Ca 0.13 -0.59 -0.01 0.00 -1.71 0.00 0.00 55.69 53.51 3ek6 s MET 102 Cb -0.14 -1.90 -0.03 0.00 2.01 0.00 0.00 34.83 34.77 3ek6 s MET 102 CO 0.05 -0.03 0.02 0.45 -0.01 0.00 0.00 175.02 175.49 3ek6 s SER 103 N 0.90 5.29 0.53 3.03 0.15 0.80 -1.30 113.70 123.08 3ek6 s SER 103 Ca -0.08 0.11 0.28 0.00 0.70 0.00 0.00 55.95 56.95 3ek6 s SER 103 Cb -0.15 -1.47 1.46 0.00 -1.71 0.00 0.00 66.02 64.15 3ek6 s SER 103 CO -0.00 0.34 2.08 0.00 1.20 0.00 0.00 173.24 176.85 3ek6 h ALA 104 N 4.79 1.29 -3.46 5.45 0.00 -1.38 0.44 119.26 126.39 3ek6 h ALA 104 Ca -0.50 -0.10 -0.66 0.00 0.00 0.00 0.00 54.91 53.65 3ek6 h ALA 104 Cb 1.19 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.72 3ek6 h ALA 104 CO 0.56 0.14 -0.73 0.96 0.00 0.00 0.00 179.25 180.18 3ek6 s ILE 105 N -4.20 3.32 0.20 0.00 -4.36 -1.26 -4.68 121.20 110.21 3ek6 s ILE 105 Ca -0.03 -0.58 -0.32 0.00 -0.26 0.00 0.00 60.65 59.46 3ek6 s ILE 105 Cb 0.13 -2.39 -0.12 0.00 1.25 0.00 0.00 42.46 41.33 3ek6 s ILE 105 CO 0.58 0.54 1.73 -0.54 0.24 0.00 0.00 174.94 177.49 3ek6 s LYS 106 N 0.06 4.13 -0.34 0.37 1.02 -1.26 -4.90 119.74 118.82 3ek6 s LYS 106 Ca -0.04 2.59 0.01 0.00 0.02 0.00 0.00 55.97 58.56 3ek6 s LYS 106 Cb -0.14 -3.14 0.14 0.00 -0.52 0.00 0.00 37.83 34.17 3ek6 s LYS 106 CO 0.04 -0.76 0.31 0.42 -0.92 0.00 0.00 175.35 174.44 3ek6 s ILE 107 N 1.37 -0.26 0.47 2.17 1.01 -1.26 -5.12 121.20 119.59 3ek6 s ILE 107 Ca 0.75 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 60.20 3ek6 s ILE 107 Cb -0.49 -0.85 -0.08 0.00 0.01 0.00 0.00 42.46 41.05 3ek6 s ILE 107 CO 0.32 -0.63 1.43 0.21 0.00 0.00 0.00 174.94 176.28 3ek6 s ASN 108 N 1.66 5.72 0.00 3.58 3.84 -1.26 -2.42 114.94 126.06 3ek6 s ASN 108 Ca 0.15 2.93 0.00 0.00 0.21 0.00 0.00 52.86 56.15 3ek6 s ASN 108 Cb -0.16 -2.65 0.00 0.00 -0.55 0.00 0.00 41.25 37.88 3ek6 s ASN 108 CO -0.13 -1.28 0.00 -0.67 -2.79 0.00 0.00 177.10 172.23 3ek6 n ASP 109 N -0.36 0.00 0.04 -4.21 2.03 -1.26 -4.63 116.55 108.15 3ek6 n ASP 109 Ca 0.06 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.17 3ek6 n ASP 109 Cb 0.42 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.72 3ek6 n ASP 109 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3ek6 h VAL 110 N 0.00 1.30 -2.24 5.18 2.07 -1.94 -3.47 116.25 117.15 3ek6 h VAL 110 Ca 0.00 -2.22 0.15 0.00 0.82 0.00 0.00 66.70 65.46 3ek6 h VAL 110 Cb 0.00 2.41 -0.12 0.00 -1.52 0.00 0.00 31.29 32.06 3ek6 h VAL 110 CO 0.00 0.68 0.51 0.00 0.02 0.00 0.00 177.57 178.79 3ek6 s GLU 112 N -3.14 3.65 0.30 0.00 2.12 -0.66 -4.48 118.70 116.50 3ek6 s GLU 112 Ca 0.09 1.59 -0.28 0.00 0.36 0.00 0.00 54.97 56.73 3ek6 s GLU 112 Cb -0.01 -2.20 -0.09 0.00 0.26 0.00 0.00 34.13 32.09 3ek6 s GLU 112 CO -0.04 -0.60 0.97 0.34 -0.54 0.00 0.00 175.26 175.40 3ek6 s ASP 113 N -1.68 7.37 0.09 -1.70 2.15 -1.26 -0.14 116.67 121.49 3ek6 s ASP 113 Ca 0.67 1.95 -0.31 0.00 0.43 0.00 0.00 52.55 55.30 3ek6 s ASP 113 Cb -0.23 -2.60 -0.08 0.00 -0.30 0.00 0.00 42.92 39.71 3ek6 s ASP 113 CO 0.28 -0.05 1.52 0.12 -0.17 0.00 0.00 175.17 176.87 3ek6 s PHE 114 N -1.41 2.86 -0.05 -5.34 5.36 0.15 -4.67 117.98 114.87 3ek6 s PHE 114 Ca 0.47 0.65 -0.02 0.00 -0.96 0.00 0.00 56.93 57.07 3ek6 s PHE 114 Cb -0.23 -3.82 0.04 0.00 -0.34 0.00 0.00 43.02 38.66 3ek6 s PHE 114 CO 0.29 -3.10 0.10 -1.50 -1.46 0.00 0.00 175.22 169.55 3ek6 s ILE 115 N 1.88 -0.14 0.14 3.12 2.07 -1.26 -4.99 121.20 122.02 3ek6 s ILE 115 Ca 0.69 0.33 -0.27 0.00 -1.41 0.00 0.00 60.65 59.98 3ek6 s ILE 115 Cb -0.38 -0.20 -0.03 0.00 0.13 0.00 0.00 42.46 41.98 3ek6 s ILE 115 CO 0.30 0.14 1.60 -0.09 -1.91 0.00 0.00 174.94 174.98 3ek6 h ARG 116 N 8.00 -0.41 -0.58 3.50 2.43 -1.95 -0.12 114.38 125.24 3ek6 h ARG 116 Ca -0.24 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.01 3ek6 h ARG 116 Cb 1.12 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 3ek6 h ARG 116 CO 0.26 -0.28 0.39 0.00 -1.51 0.00 0.00 179.97 178.83 3ek6 h ARG 117 N -0.43 0.55 -0.01 0.20 2.47 -1.98 -1.29 114.38 113.89 3ek6 h ARG 117 Ca 0.09 -0.03 -0.22 0.00 -1.26 0.00 0.00 59.98 58.56 3ek6 h ARG 117 Cb 0.58 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 3ek6 h ARG 117 CO -0.37 0.37 -0.91 -0.09 0.56 0.00 0.00 179.97 179.52 3ek6 h ARG 118 N 0.57 0.40 -0.37 0.04 2.43 -1.65 -2.56 114.38 113.23 3ek6 h ARG 118 Ca 0.25 -0.41 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 3ek6 h ARG 118 Cb 0.25 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3ek6 h ARG 118 CO -0.07 1.08 0.08 0.00 -1.51 0.00 0.00 179.97 179.54 3ek6 h ALA 119 N 0.78 0.49 -0.43 2.80 0.00 -0.25 -1.16 119.26 121.50 3ek6 h ALA 119 Ca -0.07 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3ek6 h ALA 119 Cb 1.54 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 3ek6 h ALA 119 CO 0.16 0.18 0.24 0.82 0.00 0.00 0.00 179.25 180.65 3ek6 h ILE 120 N 0.46 1.02 -0.92 0.00 1.08 -1.27 -1.79 117.51 116.08 3ek6 h ILE 120 Ca 0.12 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.42 3ek6 h ILE 120 Cb 0.33 0.50 -0.04 0.00 -3.07 0.00 0.00 36.82 34.53 3ek6 h ILE 120 CO 0.00 0.09 0.57 0.03 -0.69 0.00 0.00 178.15 178.15 3ek6 h ARG 121 N 0.48 1.24 -0.09 2.37 3.08 -1.21 -0.38 114.38 119.87 3ek6 h ARG 121 Ca 0.18 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3ek6 h ARG 121 Cb 0.04 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 3ek6 h ARG 121 CO -0.10 0.85 0.05 0.45 -1.07 0.00 0.00 179.97 180.16 3ek6 h HIS 122 N 1.26 0.12 -0.36 3.04 3.86 -0.84 -2.04 115.15 120.19 3ek6 h HIS 122 Ca 0.33 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.60 3ek6 h HIS 122 Cb -0.08 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.29 3ek6 h HIS 122 CO 0.00 0.15 0.03 -0.07 0.86 0.00 0.00 177.93 178.90 3ek6 h LEU 123 N 0.06 -0.09 -0.62 2.43 4.07 -0.95 -1.76 115.31 118.45 3ek6 h LEU 123 Ca 0.03 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.07 3ek6 h LEU 123 Cb 0.06 0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.93 3ek6 h LEU 123 CO -0.01 -0.01 0.00 -1.84 -1.08 0.00 0.00 178.44 175.51 3ek6 n GLU 124 N -5.15 0.22 -0.13 1.13 0.28 -0.18 -0.97 120.64 115.83 3ek6 n GLU 124 Ca 0.02 0.40 0.06 0.00 -0.16 0.00 0.00 57.16 57.48 3ek6 n GLU 124 Cb 0.18 -1.88 0.19 0.00 1.43 0.00 0.00 31.44 31.35 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 -2.29 1.67 -1.00 3.44 5.02 -0.72 -4.92 118.16 119.35 3ek6 n LYS 125 Ca 0.03 -1.03 0.00 0.00 -2.02 0.00 0.00 58.31 55.29 3ek6 n LYS 125 Cb 0.27 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 3ek6 n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ek6 n GLY 126 N 0.99 0.66 3.81 0.72 0.00 -0.14 -5.03 105.19 106.20 3ek6 n GLY 126 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.00 4.28 0.02 1.61 0.52 -0.83 -4.79 118.95 119.76 3ek6 s ARG 127 Ca 0.00 1.01 -0.30 0.00 -0.52 0.00 0.00 55.73 55.92 3ek6 s ARG 127 Cb 0.00 -2.58 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 3ek6 s ARG 127 CO 0.00 0.21 0.98 0.42 0.02 0.00 0.00 175.30 176.93 3ek6 s ILE 128 N -1.81 4.78 -0.22 1.52 1.01 0.33 -4.12 121.20 122.69 3ek6 s ILE 128 Ca 0.52 2.05 -0.09 0.00 0.00 0.00 0.00 60.65 63.13 3ek6 s ILE 128 Cb -0.14 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 3ek6 s ILE 128 CO 0.19 0.19 0.11 0.00 0.00 0.00 0.00 174.94 175.43 3ek6 s ALA 129 N 0.80 3.47 -0.22 9.38 0.00 -0.59 -0.96 121.76 133.64 3ek6 s ALA 129 Ca 0.51 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 3ek6 s ALA 129 Cb -0.22 -2.15 0.01 0.00 0.00 0.00 0.00 23.12 20.76 3ek6 s ALA 129 CO 0.28 -0.12 -0.09 0.42 0.00 0.00 0.00 175.76 176.25 3ek6 s ILE 130 N 0.92 2.81 -0.16 0.00 1.01 0.14 0.56 121.20 126.49 3ek6 s ILE 130 Ca 0.06 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 3ek6 s ILE 130 Cb -0.13 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 3ek6 s ILE 130 CO 0.03 0.36 0.15 -0.36 0.00 0.00 0.00 174.94 175.11 3ek6 s PHE 131 N 1.36 3.49 0.15 3.97 0.08 -0.04 -0.11 117.98 126.89 3ek6 s PHE 131 Ca 0.03 0.44 0.06 0.00 0.12 0.00 0.00 56.93 57.58 3ek6 s PHE 131 Cb -0.15 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 3ek6 s PHE 131 CO -0.06 0.47 -0.13 0.00 -0.10 0.00 0.00 175.22 175.40 3ek6 s ALA 132 N -0.22 1.60 -0.51 5.36 0.00 -0.42 -4.36 121.76 123.22 3ek6 s ALA 132 Ca 0.12 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.61 3ek6 s ALA 132 Cb -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.98 3ek6 s ALA 132 CO 0.01 0.01 0.00 0.00 0.00 0.00 0.00 175.76 175.78 3ek6 n ALA 133 N 0.02 -0.09 -0.96 0.00 0.00 -1.26 -1.15 120.51 117.08 3ek6 n ALA 133 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3ek6 n ALA 133 Cb 0.59 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 -2.17 3.31 0.05 0.00 0.00 -1.26 -1.29 105.19 103.82 3ek6 n GLY 134 Ca -0.05 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 45.90 3ek6 n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ek6 n THR 135 N 0.00 0.00 -0.34 2.61 -2.24 -1.26 -4.60 114.28 108.45 3ek6 n THR 135 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3ek6 n THR 135 Cb 0.00 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 3ek6 n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ek6 n GLY 136 N 1.36 0.87 3.31 3.38 0.00 -0.41 -4.97 105.19 108.73 3ek6 n GLY 136 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.98 2.93 0.89 1.61 0.01 -1.26 -4.93 114.94 111.22 3ek6 s ASN 137 Ca 0.00 -0.54 -0.11 0.00 -0.71 0.00 0.00 52.86 51.50 3ek6 s ASN 137 Cb 0.00 -0.28 0.13 0.00 0.41 0.00 0.00 41.25 41.51 3ek6 s ASN 137 CO 0.00 0.25 1.10 -2.16 -1.51 0.00 0.00 177.10 174.78 3ek6 s PRO 138 N -1.06 1.25 -0.15 -0.60 0.04 -1.26 -3.82 135.00 129.38 3ek6 s PRO 138 Ca 0.10 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.29 3ek6 s PRO 138 Cb -0.10 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3ek6 s PRO 138 CO 0.01 -2.34 0.00 1.19 0.04 0.00 0.00 177.00 175.90 3ek6 n PHE 139 N -4.00 0.00 -4.97 0.56 3.72 -1.26 -5.01 117.46 106.50 3ek6 n PHE 139 Ca 0.09 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.21 3ek6 n PHE 139 Cb 0.53 -0.74 -0.16 0.00 -0.94 0.00 0.00 39.48 38.18 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 -1.85 1.94 0.78 1.38 0.08 -1.25 -5.13 117.98 113.92 3ek6 s PHE 140 Ca 0.00 -0.55 -0.11 0.00 0.12 0.00 0.00 56.93 56.39 3ek6 s PHE 140 Cb 0.00 -1.29 0.06 0.00 -0.57 0.00 0.00 43.02 41.22 3ek6 s PHE 140 CO 0.00 -0.17 1.08 -0.08 -0.10 0.00 0.00 175.22 175.95 3ek6 s THR 141 N -0.06 3.36 0.27 0.64 -1.32 -1.26 -4.91 115.64 112.37 3ek6 s THR 141 Ca -0.03 0.44 -0.04 0.00 -1.21 0.00 0.00 61.69 60.85 3ek6 s THR 141 Cb -0.12 -3.08 0.22 0.00 -1.51 0.00 0.00 72.50 68.00 3ek6 s THR 141 CO 0.02 -0.58 1.89 0.74 -2.21 0.00 0.00 174.62 174.49 3ek6 h THR 142 N -1.06 1.23 -0.71 5.08 2.02 -2.00 -2.52 112.91 114.95 3ek6 h THR 142 Ca -0.46 -0.58 0.08 0.00 0.77 0.00 0.00 66.41 66.22 3ek6 h THR 142 Cb 1.24 0.15 -0.07 0.00 -1.74 0.00 0.00 68.15 67.74 3ek6 h THR 142 CO 0.56 0.26 0.37 0.44 0.37 0.00 0.00 175.52 177.52 3ek6 h ASP 143 N 1.12 0.52 -0.25 4.18 3.32 -1.99 -1.11 116.42 122.21 3ek6 h ASP 143 Ca 0.28 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.42 3ek6 h ASP 143 Cb 0.02 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3ek6 h ASP 143 CO -0.05 0.31 0.04 0.28 -1.72 0.00 0.00 179.24 178.11 3ek6 h SER 144 N 0.66 -0.01 -0.81 6.45 0.02 -1.82 0.49 113.55 118.54 3ek6 h SER 144 Ca 0.34 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 3ek6 h SER 144 Cb 0.30 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 3ek6 h SER 144 CO -0.23 0.03 0.48 1.23 -1.14 0.00 0.00 176.83 177.20 3ek6 h GLY 145 N 0.13 1.19 0.85 -3.77 0.00 -1.05 -1.27 103.07 99.14 3ek6 h GLY 145 Ca 0.12 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 3ek6 h GLY 145 CO -0.16 0.48 0.01 0.00 0.00 0.00 0.00 176.54 176.87 3ek6 h ALA 146 N 1.40 0.32 -0.07 3.60 0.00 -0.85 -1.25 119.26 122.42 3ek6 h ALA 146 Ca 0.29 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ek6 h ALA 146 Cb -0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ek6 h ALA 146 CO -0.05 0.05 0.04 0.00 0.00 0.00 0.00 179.25 179.28 3ek6 h ALA 147 N 0.81 0.09 0.05 0.00 0.00 -0.74 -0.16 119.26 119.31 3ek6 h ALA 147 Ca 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3ek6 h ALA 147 Cb 0.40 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3ek6 h ALA 147 CO 0.01 -0.40 -0.23 1.25 0.00 0.00 0.00 179.25 179.88 3ek6 h LEU 148 N 0.06 -0.66 -0.69 0.00 6.46 -1.20 -0.39 115.31 118.89 3ek6 h LEU 148 Ca 0.02 0.09 0.07 0.00 -0.12 0.00 0.00 57.88 57.93 3ek6 h LEU 148 Cb 0.02 0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.16 3ek6 h LEU 148 CO -0.00 -0.31 0.38 0.03 -0.62 0.00 0.00 178.44 177.92 3ek6 h ARG 149 N -0.39 0.67 -0.48 1.25 2.47 -1.14 0.31 114.38 117.07 3ek6 h ARG 149 Ca 0.05 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3ek6 h ARG 149 Cb 0.44 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 3ek6 h ARG 149 CO -0.17 0.44 0.30 0.00 0.56 0.00 0.00 179.97 181.10 3ek6 h ALA 150 N 1.37 0.61 -0.51 0.04 0.00 -0.74 -0.76 119.26 119.26 3ek6 h ALA 150 Ca 0.31 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 3ek6 h ALA 150 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ek6 h ALA 150 CO -0.20 0.09 -0.16 0.82 0.00 0.00 0.00 179.25 179.80 3ek6 h ILE 151 N 0.64 1.27 -0.32 0.00 2.04 -0.64 0.07 117.51 120.58 3ek6 h ILE 151 Ca 0.17 -1.32 -0.07 0.00 1.00 0.00 0.00 64.86 64.64 3ek6 h ILE 151 Cb -0.03 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3ek6 h ILE 151 CO -0.03 0.46 -0.09 -0.33 0.00 0.00 0.00 178.15 178.16 3ek6 h GLU 152 N 0.88 0.53 -0.01 2.37 5.08 0.12 -2.48 114.58 121.06 3ek6 h GLU 152 Ca 0.13 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3ek6 h GLU 152 Cb 0.74 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3ek6 h GLU 152 CO 0.06 0.62 -0.12 0.44 -1.00 0.00 0.00 179.01 179.01 3ek6 n ILE 153 N -4.22 0.00 -2.87 3.13 -5.35 -0.34 -4.95 119.36 104.76 3ek6 n ILE 153 Ca 0.01 -0.20 -0.11 0.00 -0.27 0.00 0.00 62.75 62.17 3ek6 n ILE 153 Cb 0.31 0.50 0.03 0.00 -1.74 0.00 0.00 39.64 38.74 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 1.26 0.19 3.68 3.28 0.00 -0.84 -4.95 105.19 107.81 3ek6 n GLY 154 Ca 0.16 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 3ek6 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek6 n ALA 155 N -3.30 1.14 0.70 4.61 0.00 -0.05 -4.88 120.51 118.73 3ek6 n ALA 155 Ca -0.02 0.37 0.13 0.00 0.00 0.00 0.00 53.44 53.92 3ek6 n ALA 155 Cb 0.54 -2.24 0.47 0.00 0.00 0.00 0.00 19.45 18.23 3ek6 n ALA 155 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ek6 n ASP 156 N 1.05 0.49 -3.64 0.00 8.00 0.24 -4.87 116.55 117.82 3ek6 n ASP 156 Ca 0.06 0.56 -0.09 0.00 0.71 0.00 0.00 54.79 56.03 3ek6 n ASP 156 Cb 0.35 -0.69 -0.07 0.00 -0.02 0.00 0.00 41.12 40.69 3ek6 n ASP 156 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ek6 s LEU 157 N -3.95 -0.88 -0.24 0.64 0.20 -1.17 -4.49 118.68 108.79 3ek6 s LEU 157 Ca 0.11 1.49 -0.08 0.00 0.69 0.00 0.00 54.13 56.34 3ek6 s LEU 157 Cb 0.14 2.40 -0.03 0.00 -0.43 0.00 0.00 46.19 48.27 3ek6 s LEU 157 CO 0.53 -0.24 0.08 -0.22 -0.29 0.00 0.00 176.35 176.20 3ek6 s LEU 158 N 1.25 3.54 -0.17 -0.68 0.20 -0.15 -1.29 118.68 121.38 3ek6 s LEU 158 Ca -0.07 -0.15 -0.06 0.00 0.69 0.00 0.00 54.13 54.54 3ek6 s LEU 158 Cb -0.05 -1.95 -0.04 0.00 -0.43 0.00 0.00 46.19 43.73 3ek6 s LEU 158 CO -0.13 -0.01 0.04 -0.76 -0.29 0.00 0.00 176.35 175.20 3ek6 s LEU 159 N 1.47 3.70 -0.30 -0.68 1.02 0.20 -0.14 118.68 123.94 3ek6 s LEU 159 Ca 0.06 0.06 0.02 0.00 0.02 0.00 0.00 54.13 54.28 3ek6 s LEU 159 Cb -0.15 -1.92 0.07 0.00 0.02 0.00 0.00 46.19 44.21 3ek6 s LEU 159 CO 0.04 0.20 -0.01 -0.75 0.02 0.00 0.00 176.35 175.85 3ek6 s LYS 160 N 0.22 2.06 0.03 1.70 2.20 0.20 -0.52 119.74 125.64 3ek6 s LYS 160 Ca 0.03 -1.51 -0.30 0.00 -0.36 0.00 0.00 55.97 53.82 3ek6 s LYS 160 Cb -0.13 -3.11 -0.05 0.00 -1.51 0.00 0.00 37.83 33.04 3ek6 s LYS 160 CO 0.01 -0.73 1.14 0.00 -0.36 0.00 0.00 175.35 175.41 3ek6 s ALA 161 N 1.09 3.34 0.25 3.13 0.00 -0.58 -2.02 121.76 126.96 3ek6 s ALA 161 Ca -0.01 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.68 3ek6 s ALA 161 Cb -0.20 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 3ek6 s ALA 161 CO -0.05 -0.42 0.11 0.95 0.00 0.00 0.00 175.76 176.35 3ek6 s THR 162 N 1.21 0.40 0.06 0.00 -4.23 0.36 -4.53 115.64 108.92 3ek6 s THR 162 Ca 0.56 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.86 3ek6 s THR 162 Cb -0.26 -2.60 -0.13 0.00 1.34 0.00 0.00 72.50 70.85 3ek6 s THR 162 CO 0.28 0.00 1.53 0.11 -0.54 0.00 0.00 174.62 175.99 3ek6 h LYS 163 N 2.43 0.20 -6.36 3.99 1.57 -1.96 -3.36 116.57 113.08 3ek6 h LYS 163 Ca -0.37 -0.05 -0.55 0.00 -1.87 0.00 0.00 60.65 57.81 3ek6 h LYS 163 Cb 1.25 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 3ek6 h LYS 163 CO 0.58 0.39 0.63 0.08 -0.57 0.00 0.00 179.45 180.57 3ek6 s VAL 164 N -5.18 4.27 -1.37 0.50 1.01 -1.26 -4.80 120.40 113.58 3ek6 s VAL 164 Ca -0.14 1.61 -0.12 0.00 0.00 0.00 0.00 61.98 63.33 3ek6 s VAL 164 Cb 0.06 -4.03 0.11 0.00 0.00 0.00 0.00 36.38 32.51 3ek6 s VAL 164 CO 0.70 0.04 2.05 -0.67 0.00 0.00 0.00 175.10 177.22 3ek6 n ASP 165 N 4.78 4.51 0.00 3.32 -0.08 -1.26 -4.16 116.55 123.66 3ek6 n ASP 165 Ca 0.10 -2.98 0.00 0.00 -1.51 0.00 0.00 54.79 50.40 3ek6 n ASP 165 Cb 0.47 -1.56 0.00 0.00 2.34 0.00 0.00 41.12 42.36 3ek6 n ASP 165 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ek6 n GLY 166 N 3.42 0.67 3.51 0.27 0.00 -1.24 -4.38 105.19 107.43 3ek6 n GLY 166 Ca 0.46 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 3ek6 n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek6 s VAL 167 N -0.93 3.74 0.08 1.61 1.01 -1.26 -4.92 120.40 119.73 3ek6 s VAL 167 Ca 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.61 3ek6 s VAL 167 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3ek6 s VAL 167 CO 0.00 0.53 -0.06 -0.31 0.00 0.00 0.00 175.10 175.26 3ek6 s TYR 168 N 0.03 2.86 0.31 5.22 1.51 -1.26 -1.99 117.35 124.03 3ek6 s TYR 168 Ca -0.01 -0.08 -0.01 0.00 -1.01 0.00 0.00 57.07 55.96 3ek6 s TYR 168 Cb -0.14 -1.51 0.49 0.00 -0.11 0.00 0.00 41.96 40.69 3ek6 s TYR 168 CO 0.03 0.43 1.97 0.38 -1.11 0.00 0.00 175.55 177.25 3ek6 h ASP 169 N 3.76 0.91 -5.03 2.29 -0.00 -1.63 -3.44 116.42 113.27 3ek6 h ASP 169 Ca -0.48 -0.02 -0.16 0.00 -0.00 0.00 0.00 57.03 56.37 3ek6 h ASP 169 Cb 1.17 -0.22 -0.16 0.00 -0.00 0.00 0.00 39.33 40.12 3ek6 h ASP 169 CO 0.55 0.64 -0.69 -0.54 -0.00 0.00 0.00 179.24 179.21 3ek6 s LYS 170 N -5.89 0.63 -0.22 4.15 3.01 -1.26 -5.01 119.74 115.14 3ek6 s LYS 170 Ca -0.11 -1.16 -0.35 0.00 -1.01 0.00 0.00 55.97 53.33 3ek6 s LYS 170 Cb 0.18 0.07 -0.12 0.00 -1.01 0.00 0.00 37.83 36.95 3ek6 s LYS 170 CO 0.79 -0.07 1.99 -3.47 0.51 0.00 0.00 175.35 175.09 3ek6 n ASP 171 N 0.29 2.80 0.06 2.83 4.64 -1.26 -4.67 116.55 121.24 3ek6 n ASP 171 Ca -0.15 0.74 -0.12 0.00 -1.38 0.00 0.00 54.79 53.88 3ek6 n ASP 171 Cb 0.60 -1.31 -0.07 0.00 -1.04 0.00 0.00 41.12 39.30 3ek6 n ASP 171 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3ek6 h PRO 172 N 10.37 -0.05 0.00 -0.67 0.11 -1.94 0.98 132.00 140.80 3ek6 h PRO 172 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3ek6 h PRO 172 Cb 1.29 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3ek6 h PRO 172 CO 0.98 -0.02 0.00 0.36 -0.21 0.00 0.00 178.00 179.10 3ek6 n LYS 173 N -5.11 0.20 0.00 1.05 2.85 -1.26 -1.44 118.16 114.45 3ek6 n LYS 173 Ca -0.07 0.15 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 3ek6 n LYS 173 Cb 0.05 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.93 3ek6 n LYS 173 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3ek6 n LYS 174 N -1.25 -0.49 -3.43 -1.58 4.76 -1.06 -4.91 118.16 110.19 3ek6 n LYS 174 Ca 0.06 -0.37 -0.28 0.00 -2.87 0.00 0.00 58.31 54.85 3ek6 n LYS 174 Cb 0.09 -0.87 -0.11 0.00 -1.84 0.00 0.00 35.03 32.31 3ek6 n LYS 174 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3ek6 s HIS 175 N -0.04 0.74 0.27 2.13 3.76 0.31 -4.95 115.29 117.53 3ek6 s HIS 175 Ca 0.00 -1.76 0.09 0.00 -0.15 0.00 0.00 55.06 53.24 3ek6 s HIS 175 Cb 0.00 -0.87 0.49 0.00 1.11 0.00 0.00 32.58 33.31 3ek6 s HIS 175 CO 0.00 -0.84 1.15 0.66 -0.85 0.00 0.00 174.74 174.86 3ek6 h SER 176 N 6.63 0.00 0.86 1.40 4.64 -1.86 1.88 113.55 127.10 3ek6 h SER 176 Ca 0.12 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.22 3ek6 h SER 176 Cb 0.96 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 3ek6 h SER 176 CO 0.29 0.00 -1.21 -0.78 -0.87 0.00 0.00 176.83 174.25 3ek6 h ASP 177 N 0.00 0.00 -0.77 4.97 -0.00 -1.92 -3.48 116.42 115.22 3ek6 h ASP 177 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 57.03 56.48 3ek6 h ASP 177 Cb 1.08 0.00 0.07 0.00 -0.00 0.00 0.00 39.33 40.48 3ek6 h ASP 177 CO 0.00 0.88 -0.24 0.00 -0.00 0.00 0.00 179.24 179.88 3ek6 n ALA 178 N -2.40 -2.62 -2.45 -0.78 0.00 0.64 -4.99 120.51 107.91 3ek6 n ALA 178 Ca -0.06 0.38 -0.27 0.00 0.00 0.00 0.00 53.44 53.49 3ek6 n ALA 178 Cb 0.94 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.98 3ek6 n ALA 178 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ek6 s VAL 179 N -0.49 2.00 -0.30 0.00 1.01 -1.26 -4.97 120.40 116.38 3ek6 s VAL 179 Ca 0.57 -1.59 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 3ek6 s VAL 179 Cb -0.81 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 33.80 3ek6 s VAL 179 CO 0.43 0.08 0.11 -0.60 0.00 0.00 0.00 175.10 175.12 3ek6 s ARG 180 N -1.84 3.17 0.36 2.72 3.00 -1.26 -1.43 118.95 123.68 3ek6 s ARG 180 Ca 0.10 -0.81 -0.28 0.00 -1.00 0.00 0.00 55.73 53.74 3ek6 s ARG 180 Cb -0.10 -3.44 -0.11 0.00 0.00 0.00 0.00 34.95 31.30 3ek6 s ARG 180 CO 0.05 -0.44 1.46 0.71 0.00 0.00 0.00 175.30 177.08 3ek6 s TYR 181 N 1.54 2.67 0.03 5.12 1.51 -0.84 -4.93 117.35 122.45 3ek6 s TYR 181 Ca 0.03 1.19 -0.00 0.00 -1.01 0.00 0.00 57.07 57.28 3ek6 s TYR 181 Cb -0.17 -3.97 -0.26 0.00 -0.11 0.00 0.00 41.96 37.45 3ek6 s TYR 181 CO 0.04 -2.84 0.97 -0.44 -1.11 0.00 0.00 175.55 172.17 3ek6 h ASP 182 N 3.16 0.29 -4.71 2.29 5.19 -1.90 -3.39 116.42 117.34 3ek6 h ASP 182 Ca -0.50 -0.38 -0.07 0.00 -0.62 0.00 0.00 57.03 55.46 3ek6 h ASP 182 Cb 1.24 -0.10 -0.20 0.00 0.18 0.00 0.00 39.33 40.45 3ek6 h ASP 182 CO 0.65 1.31 0.07 -0.94 -3.12 0.00 0.00 179.24 177.22 3ek6 s SER 183 N -6.88 -0.59 0.04 6.45 1.04 -1.26 -1.13 113.70 111.37 3ek6 s SER 183 Ca -0.06 0.78 -0.03 0.00 0.48 0.00 0.00 55.95 57.12 3ek6 s SER 183 Cb 0.08 0.72 -0.02 0.00 0.10 0.00 0.00 66.02 66.89 3ek6 s SER 183 CO 0.85 -0.48 0.03 -0.76 0.98 0.00 0.00 173.24 173.87 3ek6 s LEU 184 N -0.79 2.10 0.55 2.42 1.43 0.44 -4.92 118.68 119.91 3ek6 s LEU 184 Ca -0.08 -0.67 -0.06 0.00 -1.03 0.00 0.00 54.13 52.28 3ek6 s LEU 184 Cb -0.02 0.38 -0.02 0.00 0.03 0.00 0.00 46.19 46.56 3ek6 s LEU 184 CO 0.07 -0.49 0.87 -0.89 0.23 0.00 0.00 176.35 176.13 3ek6 s THR 185 N -2.77 4.42 0.25 5.49 2.01 -1.25 -1.46 115.64 122.33 3ek6 s THR 185 Ca -0.04 0.25 -0.05 0.00 0.31 0.00 0.00 61.69 62.16 3ek6 s THR 185 Cb -0.00 -3.72 0.19 0.00 0.01 0.00 0.00 72.50 68.97 3ek6 s THR 185 CO -0.06 -0.76 1.84 1.88 -0.69 0.00 0.00 174.62 176.83 3ek6 h TYR 186 N -0.02 1.11 -0.54 4.92 -1.99 -1.64 -2.42 116.97 116.40 3ek6 h TYR 186 Ca -0.46 -0.06 -0.11 0.00 2.00 0.00 0.00 58.73 60.10 3ek6 h TYR 186 Cb 1.22 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 39.59 3ek6 h TYR 186 CO 0.56 0.82 -0.10 -0.44 -0.00 0.00 0.00 178.16 178.99 3ek6 h ASP 187 N 1.09 1.01 -0.79 3.88 3.32 -1.91 -2.86 116.42 120.16 3ek6 h ASP 187 Ca 0.26 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3ek6 h ASP 187 Cb 0.14 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3ek6 h ASP 187 CO -0.03 1.11 0.47 -0.33 -1.72 0.00 0.00 179.24 178.74 3ek6 h GLU 188 N 0.90 1.08 0.06 3.56 5.08 -1.84 0.19 114.58 123.60 3ek6 h GLU 188 Ca 0.14 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3ek6 h GLU 188 Cb 0.66 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 3ek6 h GLU 188 CO 0.05 0.77 -0.35 0.28 -1.00 0.00 0.00 179.01 178.76 3ek6 h VAL 189 N 1.09 0.27 -0.55 3.13 2.07 -1.32 -1.26 116.25 119.67 3ek6 h VAL 189 Ca 0.28 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.77 3ek6 h VAL 189 Cb -0.03 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 3ek6 h VAL 189 CO -0.05 0.00 0.20 0.40 0.02 0.00 0.00 177.57 178.13 3ek6 h ILE 190 N -0.54 1.21 -0.43 4.57 2.04 -1.27 -1.88 117.51 121.21 3ek6 h ILE 190 Ca 0.04 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 3ek6 h ILE 190 Cb 0.60 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3ek6 h ILE 190 CO -0.24 0.27 0.06 -0.03 0.00 0.00 0.00 178.15 178.20 3ek6 h MET 191 N 0.80 0.73 -0.08 2.37 4.05 -0.61 -2.98 114.93 119.21 3ek6 h MET 191 Ca 0.19 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3ek6 h MET 191 Cb 0.20 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 3ek6 h MET 191 CO -0.01 0.77 0.00 1.04 0.23 0.00 0.00 176.91 178.93 3ek6 n GLN 192 N -4.47 1.50 -2.35 0.39 6.02 -0.51 -4.91 117.38 113.06 3ek6 n GLN 192 Ca -0.00 -0.74 -0.19 0.00 -0.01 0.00 0.00 57.00 56.06 3ek6 n GLN 192 Cb 0.25 -1.41 -0.01 0.00 1.02 0.00 0.00 30.24 30.09 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 1.06 -0.38 3.78 1.08 0.00 -0.94 -4.98 105.19 104.80 3ek6 n GLY 193 Ca 0.17 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -5.42 3.88 -0.41 0.99 1.43 -0.75 -5.00 118.68 113.39 3ek6 s LEU 194 Ca 0.00 2.15 -0.09 0.00 -1.03 0.00 0.00 54.13 55.16 3ek6 s LEU 194 Cb 0.00 -4.45 0.07 0.00 0.03 0.00 0.00 46.19 41.84 3ek6 s LEU 194 CO 0.00 -0.98 0.24 -1.61 0.23 0.00 0.00 176.35 174.23 3ek6 s GLU 195 N -3.04 2.62 -0.09 1.70 0.41 -1.26 -4.77 118.70 114.26 3ek6 s GLU 195 Ca 0.68 -1.39 -0.07 0.00 -0.41 0.00 0.00 54.97 53.78 3ek6 s GLU 195 Cb -0.23 -3.74 -0.04 0.00 -1.78 0.00 0.00 34.13 28.33 3ek6 s GLU 195 CO 0.27 -0.90 -0.16 0.28 -0.49 0.00 0.00 175.26 174.27 3ek6 n VAL 196 N 4.91 0.88 -4.19 2.63 0.31 -1.26 -5.05 118.33 116.56 3ek6 n VAL 196 Ca -0.10 -0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.07 3ek6 n VAL 196 Cb 0.43 -1.75 -0.09 0.00 -0.91 0.00 0.00 33.84 31.53 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 -2.28 1.34 0.85 5.55 -1.94 -1.26 -5.09 119.30 116.47 3ek6 s MET 197 Ca -0.16 -1.67 -0.11 0.00 -1.71 0.00 0.00 55.69 52.04 3ek6 s MET 197 Cb 0.05 0.30 0.11 0.00 2.01 0.00 0.00 34.83 37.30 3ek6 s MET 197 CO 0.21 -0.46 1.15 0.16 -0.01 0.00 0.00 175.02 176.06 3ek6 s ASP 198 N -3.19 3.47 0.17 3.03 1.47 -1.26 -4.69 116.67 115.68 3ek6 s ASP 198 Ca 0.38 2.17 -0.17 0.00 1.18 0.00 0.00 52.55 56.10 3ek6 s ASP 198 Cb 0.05 -2.56 0.11 0.00 -0.34 0.00 0.00 42.92 40.18 3ek6 s ASP 198 CO 0.15 -2.74 1.65 0.74 0.68 0.00 0.00 175.17 175.65 3ek6 h THR 199 N -1.39 0.51 -0.70 2.11 2.02 -2.01 -1.22 112.91 112.23 3ek6 h THR 199 Ca -0.44 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 3ek6 h THR 199 Cb 1.27 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 3ek6 h THR 199 CO 0.45 0.00 0.39 0.00 0.37 0.00 0.00 175.52 176.73 3ek6 h ALA 200 N 1.35 0.89 -0.29 6.16 0.00 -2.00 -1.27 119.26 124.11 3ek6 h ALA 200 Ca 0.21 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3ek6 h ALA 200 Cb 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ek6 h ALA 200 CO -0.46 0.40 -0.05 0.00 0.00 0.00 0.00 179.25 179.13 3ek6 h ALA 201 N 1.20 0.39 -0.85 0.00 0.00 -1.75 -2.27 119.26 115.98 3ek6 h ALA 201 Ca 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ek6 h ALA 201 Cb 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3ek6 h ALA 201 CO -0.04 0.19 0.48 0.35 0.00 0.00 0.00 179.25 180.23 3ek6 h PHE 202 N 0.31 1.15 -0.49 0.00 3.57 -1.08 -2.09 116.94 118.31 3ek6 h PHE 202 Ca 0.07 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 3ek6 h PHE 202 Cb 0.52 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3ek6 h PHE 202 CO 0.05 0.79 0.01 0.00 -2.23 0.00 0.00 178.31 176.93 3ek6 h ALA 203 N 1.26 1.09 -0.23 2.41 0.00 -1.13 0.24 119.26 122.90 3ek6 h ALA 203 Ca 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ek6 h ALA 203 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ek6 h ALA 203 CO -0.05 0.58 0.14 1.25 0.00 0.00 0.00 179.25 181.17 3ek6 h LEU 204 N 0.76 0.27 -0.27 0.00 6.46 -1.14 0.31 115.31 121.70 3ek6 h LEU 204 Ca 0.15 -0.03 -0.10 0.00 -0.12 0.00 0.00 57.88 57.79 3ek6 h LEU 204 Cb 0.45 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 3ek6 h LEU 204 CO 0.02 0.21 -0.21 0.00 -0.62 0.00 0.00 178.44 177.84 3ek6 h ALA 205 N 1.06 0.38 -0.17 1.25 0.00 -1.14 -3.02 119.26 117.63 3ek6 h ALA 205 Ca 0.08 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3ek6 h ALA 205 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3ek6 h ALA 205 CO -0.02 0.33 -0.04 -0.09 0.00 0.00 0.00 179.25 179.43 3ek6 h ARG 206 N 0.34 0.01 0.00 0.00 2.43 -0.43 0.02 114.38 116.74 3ek6 h ARG 206 Ca 0.05 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3ek6 h ARG 206 Cb 0.75 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3ek6 h ARG 206 CO 0.05 0.00 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.06 3ek6 h ASP 207 N 0.01 0.00 -0.12 -3.80 3.32 -0.88 0.11 116.42 115.06 3ek6 h ASP 207 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3ek6 h ASP 207 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3ek6 h ASP 207 CO -0.17 0.02 0.00 -1.20 -1.72 0.00 0.00 179.24 176.17 3ek6 n SER 208 N -4.29 2.91 -3.88 6.45 7.64 -1.12 -4.99 113.62 116.34 3ek6 n SER 208 Ca -0.03 -1.94 -0.28 0.00 1.01 0.00 0.00 58.87 57.64 3ek6 n SER 208 Cb 0.10 -0.07 -0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 1.23 -1.68 -4.67 6.43 2.03 0.39 -4.91 116.55 115.36 3ek6 n ASP 209 Ca 0.16 -1.02 -0.43 0.00 0.52 0.00 0.00 54.79 54.03 3ek6 n ASP 209 Cb 0.57 -3.11 -0.02 0.00 -0.72 0.00 0.00 41.12 37.83 3ek6 n ASP 209 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3ek6 s LEU 210 N -6.86 4.21 0.19 -2.67 2.96 -0.38 -4.85 118.68 111.28 3ek6 s LEU 210 Ca 0.13 1.64 -0.31 0.00 -0.22 0.00 0.00 54.13 55.37 3ek6 s LEU 210 Cb -0.05 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.99 3ek6 s LEU 210 CO 0.88 -0.62 1.49 -2.84 -1.32 0.00 0.00 176.35 173.94 3ek6 s PRO 211 N 2.74 4.25 -0.11 0.98 0.02 -1.26 -4.77 135.00 136.85 3ek6 s PRO 211 Ca 0.52 2.29 0.03 0.00 0.02 0.00 0.00 61.00 63.86 3ek6 s PRO 211 Cb -0.21 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.16 3ek6 s PRO 211 CO 0.16 -0.51 -0.23 -0.51 -0.33 0.00 0.00 177.00 175.59 3ek6 s LEU 212 N 0.58 2.06 -0.27 -5.54 1.02 0.43 -0.98 118.68 115.97 3ek6 s LEU 212 Ca 0.65 -0.56 0.02 0.00 0.02 0.00 0.00 54.13 54.26 3ek6 s LEU 212 Cb -0.42 -1.38 0.06 0.00 0.02 0.00 0.00 46.19 44.47 3ek6 s LEU 212 CO 0.35 0.13 -0.07 -0.60 0.02 0.00 0.00 176.35 176.18 3ek6 s ARG 213 N 0.51 2.27 -0.21 1.70 3.52 0.80 0.34 118.95 127.89 3ek6 s ARG 213 Ca -0.15 -1.34 -0.19 0.00 -0.13 0.00 0.00 55.73 53.92 3ek6 s ARG 213 Cb -0.17 -2.99 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 3ek6 s ARG 213 CO 0.05 -0.60 0.55 0.42 -0.81 0.00 0.00 175.30 174.91 3ek6 s ILE 214 N 1.14 5.08 0.24 4.11 1.09 -0.50 -0.63 121.20 131.74 3ek6 s ILE 214 Ca -0.07 1.00 -0.18 0.00 -1.10 0.00 0.00 60.65 60.30 3ek6 s ILE 214 Cb -0.20 -3.87 0.02 0.00 -1.06 0.00 0.00 42.46 37.35 3ek6 s ILE 214 CO -0.04 0.15 0.60 0.72 -0.10 0.00 0.00 174.94 176.27 3ek6 s PHE 215 N 1.79 -0.06 -0.13 3.97 -0.12 -0.86 -0.82 117.98 121.75 3ek6 s PHE 215 Ca 0.25 -0.34 -0.04 0.00 -0.05 0.00 0.00 56.93 56.76 3ek6 s PHE 215 Cb -0.16 0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 42.69 3ek6 s PHE 215 CO 0.10 -1.07 0.01 0.20 -0.05 0.00 0.00 175.22 174.40 3ek6 s GLY 216 N -2.92 1.84 -1.29 1.99 0.00 -1.26 -0.48 107.32 105.19 3ek6 s GLY 216 Ca 0.13 -0.79 -0.11 0.00 0.00 0.00 0.00 44.72 43.95 3ek6 s GLY 216 CO 0.04 -0.28 1.85 1.03 0.00 0.00 0.00 173.10 175.74 3ek6 n MET 217 N 2.83 3.48 0.08 2.90 2.81 -1.26 -4.72 117.12 123.23 3ek6 n MET 217 Ca -0.18 -3.45 -0.20 0.00 -1.81 0.00 0.00 57.70 52.06 3ek6 n MET 217 Cb 0.53 -3.01 -0.15 0.00 -0.71 0.00 0.00 33.22 29.89 3ek6 n MET 217 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3ek6 h SER 218 N 6.04 0.53 -5.13 7.83 0.87 -1.95 -3.46 113.55 118.29 3ek6 h SER 218 Ca 0.41 -0.75 -0.13 0.00 -1.23 0.00 0.00 61.79 60.09 3ek6 h SER 218 Cb 0.67 -0.17 -0.17 0.00 -0.44 0.00 0.00 62.40 62.29 3ek6 h SER 218 CO 1.60 1.62 -0.60 -1.83 -0.53 0.00 0.00 176.83 177.09 3ek6 s GLU 219 N -2.60 0.56 0.81 2.24 -1.05 -1.26 -5.15 118.70 112.25 3ek6 s GLU 219 Ca -0.12 -0.92 -0.13 0.00 -0.15 0.00 0.00 54.97 53.65 3ek6 s GLU 219 Cb 0.06 0.21 0.08 0.00 -0.44 0.00 0.00 34.13 34.04 3ek6 s GLU 219 CO 0.86 -0.12 1.19 -1.25 0.95 0.00 0.00 175.26 176.89 3ek6 s PRO 220 N -2.98 1.68 0.00 -4.83 0.04 -1.26 -3.33 135.00 124.32 3ek6 s PRO 220 Ca -0.02 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.70 3ek6 s PRO 220 Cb 0.01 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.76 3ek6 s PRO 220 CO -0.06 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.22 3ek6 n GLY 221 N 0.31 2.31 0.09 0.56 0.00 -1.26 -4.94 105.19 102.26 3ek6 n GLY 221 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 1.00 -0.52 1.61 2.07 -1.97 -2.17 116.25 116.28 3ek6 h VAL 222 Ca 0.00 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.26 3ek6 h VAL 222 Cb 0.00 1.21 -0.09 0.00 -1.52 0.00 0.00 31.29 30.89 3ek6 h VAL 222 CO 0.00 0.08 -0.53 0.25 0.02 0.00 0.00 177.57 177.39 3ek6 h LEU 223 N -0.26 -1.82 -0.82 2.57 5.85 -1.92 -0.29 115.31 118.62 3ek6 h LEU 223 Ca -0.01 0.26 0.10 0.00 0.84 0.00 0.00 57.88 59.07 3ek6 h LEU 223 Cb 0.22 0.77 -0.08 0.00 0.37 0.00 0.00 40.66 41.95 3ek6 h LEU 223 CO 0.02 -0.37 0.46 0.25 -0.34 0.00 0.00 178.44 178.46 3ek6 h LEU 224 N -0.31 0.63 -0.48 2.25 7.12 -1.87 -1.02 115.31 121.63 3ek6 h LEU 224 Ca 0.11 0.06 0.01 0.00 0.13 0.00 0.00 57.88 58.19 3ek6 h LEU 224 Cb 0.57 -0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.61 3ek6 h LEU 224 CO -0.66 0.35 0.30 0.03 -0.13 0.00 0.00 178.44 178.33 3ek6 h ARG 225 N 0.75 0.60 -0.90 1.25 3.08 -0.74 -1.96 114.38 116.46 3ek6 h ARG 225 Ca 0.40 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.46 3ek6 h ARG 225 Cb 0.41 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 3ek6 h ARG 225 CO -0.27 0.40 0.58 0.82 -1.07 0.00 0.00 179.97 180.43 3ek6 h ILE 226 N 0.62 1.14 0.00 2.04 2.04 -0.26 -0.60 117.51 122.48 3ek6 h ILE 226 Ca 0.18 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3ek6 h ILE 226 Cb -0.04 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 35.95 3ek6 h ILE 226 CO -0.06 0.20 -0.18 -0.07 0.00 0.00 0.00 178.15 178.05 3ek6 h LEU 227 N 1.12 0.00 -1.87 1.44 3.38 -0.74 -0.58 115.31 118.07 3ek6 h LEU 227 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3ek6 h LEU 227 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3ek6 h LEU 227 CO -0.13 0.18 0.00 1.41 0.09 0.00 0.00 178.44 179.99 3ek6 n HIS 228 N -4.21 0.77 -0.04 1.13 8.25 -0.78 0.64 115.22 120.98 3ek6 n HIS 228 Ca -0.02 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 3ek6 n HIS 228 Cb 0.25 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 0.96 0.71 3.75 -1.41 0.00 -0.23 -4.73 105.19 104.24 3ek6 n GLY 229 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3ek6 n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek6 n ALA 230 N -1.88 2.52 -2.80 4.61 0.00 -0.28 -4.91 120.51 117.76 3ek6 n ALA 230 Ca 0.00 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 3ek6 n ALA 230 Cb 0.00 -2.46 -0.00 0.00 0.00 0.00 0.00 19.45 16.99 3ek6 n ALA 230 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ek6 s GLN 231 N -0.82 3.98 -0.06 0.00 -1.52 -1.26 -4.54 119.66 115.44 3ek6 s GLN 231 Ca 0.62 -2.22 0.06 0.00 -1.95 0.00 0.00 55.36 51.86 3ek6 s GLN 231 Cb -0.49 -5.22 -0.01 0.00 -0.22 0.00 0.00 33.01 27.07 3ek6 s GLN 231 CO 0.51 -1.95 -0.24 0.42 -0.25 0.00 0.00 175.29 173.78 3ek6 s ILE 232 N 2.75 2.15 0.00 1.08 1.01 -1.26 -5.01 121.20 121.92 3ek6 s ILE 232 Ca 0.46 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 60.08 3ek6 s ILE 232 Cb -0.01 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.68 3ek6 s ILE 232 CO 0.01 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.13 3ek6 n GLY 233 N 2.98 2.11 2.84 6.18 0.00 -1.26 -4.80 105.19 113.23 3ek6 n GLY 233 Ca -0.18 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 3ek6 n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ek6 s THR 234 N 0.00 0.39 -0.16 2.61 2.01 -0.00 -4.57 115.64 115.91 3ek6 s THR 234 Ca 0.00 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 3ek6 s THR 234 Cb 0.00 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 3ek6 s THR 234 CO 0.00 0.21 0.47 -0.22 -0.69 0.00 0.00 174.62 174.39 3ek6 s LEU 235 N 1.21 4.21 -0.19 4.42 2.96 -0.28 -1.41 118.68 129.61 3ek6 s LEU 235 Ca -0.07 0.71 -0.01 0.00 -0.22 0.00 0.00 54.13 54.54 3ek6 s LEU 235 Cb -0.14 -2.66 0.00 0.00 0.50 0.00 0.00 46.19 43.90 3ek6 s LEU 235 CO -0.02 -0.07 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.13 3ek6 s VAL 236 N 1.05 2.72 -0.19 1.68 1.01 0.15 -0.42 120.40 126.41 3ek6 s VAL 236 Ca 0.24 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 3ek6 s VAL 236 Cb -0.15 -2.19 0.15 0.00 0.00 0.00 0.00 36.38 34.19 3ek6 s VAL 236 CO 0.09 0.49 1.15 -1.58 0.00 0.00 0.00 175.10 175.25 3ek6 s GLN 237 N 1.24 0.38 0.00 2.72 0.74 -0.53 -0.43 119.66 123.78 3ek6 s GLN 237 Ca 0.03 -0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.42 3ek6 s GLN 237 Cb -0.14 0.18 0.00 0.00 1.10 0.00 0.00 33.01 34.15 3ek6 s GLN 237 CO -0.06 -0.14 0.00 0.41 -0.55 0.00 0.00 175.29 174.95 3ek6 n GLY 238 N 0.31 -0.59 3.47 2.59 0.00 -1.26 -3.97 105.19 105.73 3ek6 n GLY 238 Ca -0.04 -1.75 -0.22 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.38 1.66 0.00 1.61 0.52 -1.26 -2.40 118.95 117.70 3ek6 s ARG 239 Ca 0.00 -1.90 0.00 0.00 -0.52 0.00 0.00 55.73 53.31 3ek6 s ARG 239 Cb 0.00 -1.06 0.00 0.00 0.52 0.00 0.00 34.95 34.41 3ek6 s ARG 239 CO 0.00 -0.10 0.00 0.45 0.02 0.00 0.00 175.30 175.67