#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek5 n GLU 3 N 0.00 2.48 -3.71 4.33 0.00 -1.26 -4.94 120.64 117.54 3ek5 n GLU 3 Ca 0.00 -3.06 -0.12 0.00 0.00 0.00 0.00 57.16 53.98 3ek5 n GLU 3 Cb 0.00 -1.94 -0.10 0.00 0.00 0.00 0.00 31.44 29.40 3ek5 n GLU 3 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 3ek5 s LEU 4 N -3.11 0.14 0.13 4.31 2.34 -1.26 -4.91 118.68 116.32 3ek5 s LEU 4 Ca 0.48 0.92 -0.31 0.00 0.06 0.00 0.00 54.13 55.28 3ek5 s LEU 4 Cb 0.41 1.51 -0.10 0.00 -0.56 0.00 0.00 46.19 47.45 3ek5 s LEU 4 CO 0.06 -0.17 1.52 -1.28 -1.06 0.00 0.00 176.35 175.42 3ek5 h SER 5 N 5.95 -1.79 -3.02 1.48 0.87 -0.82 -3.40 113.55 112.82 3ek5 h SER 5 Ca -0.30 0.24 -0.61 0.00 -1.23 0.00 0.00 61.79 59.88 3ek5 h SER 5 Cb 1.18 0.74 -0.07 0.00 -0.44 0.00 0.00 62.40 63.81 3ek5 h SER 5 CO 0.24 -0.37 -0.27 -0.31 -0.53 0.00 0.00 176.83 175.60 3ek5 s TYR 6 N -5.48 3.64 -0.12 2.24 2.02 -1.05 -5.00 117.35 113.61 3ek5 s TYR 6 Ca -0.13 0.84 -0.02 0.00 -0.37 0.00 0.00 57.07 57.38 3ek5 s TYR 6 Cb 0.08 -2.26 -0.07 0.00 -0.40 0.00 0.00 41.96 39.32 3ek5 s TYR 6 CO 0.58 0.55 -0.13 -2.13 -1.57 0.00 0.00 175.55 172.86 3ek5 n ARG 7 N 2.30 0.28 -3.62 -0.62 0.63 -1.26 -4.89 116.66 109.47 3ek5 n ARG 7 Ca -0.14 0.09 -0.40 0.00 -0.92 0.00 0.00 57.85 56.48 3ek5 n ARG 7 Cb 0.53 -1.11 -0.11 0.00 0.45 0.00 0.00 32.46 32.23 3ek5 n ARG 7 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3ek5 s ARG 8 N -2.23 2.64 0.21 -0.14 3.52 -1.26 0.98 118.95 122.67 3ek5 s ARG 8 Ca -0.16 -1.36 0.09 0.00 -0.13 0.00 0.00 55.73 54.17 3ek5 s ARG 8 Cb 0.05 -3.72 -0.05 0.00 -1.56 0.00 0.00 34.95 29.67 3ek5 s ARG 8 CO 0.24 -0.87 -0.16 0.96 -0.81 0.00 0.00 175.30 174.67 3ek5 s ILE 9 N 1.44 1.89 -0.23 4.11 -4.36 -0.24 0.22 121.20 124.04 3ek5 s ILE 9 Ca 0.02 -2.21 0.01 0.00 -0.26 0.00 0.00 60.65 58.21 3ek5 s ILE 9 Cb -0.22 -2.07 0.05 0.00 1.25 0.00 0.00 42.46 41.48 3ek5 s ILE 9 CO 0.03 -0.52 -0.08 -0.22 0.24 0.00 0.00 174.94 174.39 3ek5 s LEU 10 N -3.26 2.60 -0.19 0.37 2.96 -0.90 -0.77 118.68 119.49 3ek5 s LEU 10 Ca 0.23 -1.11 -0.14 0.00 -0.22 0.00 0.00 54.13 52.89 3ek5 s LEU 10 Cb -0.02 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 3ek5 s LEU 10 CO 0.08 -0.20 0.31 -0.22 -1.32 0.00 0.00 176.35 175.01 3ek5 s LEU 11 N 1.35 4.18 -0.13 -0.68 0.20 0.15 -1.25 118.68 122.51 3ek5 s LEU 11 Ca -0.05 0.44 0.03 0.00 0.69 0.00 0.00 54.13 55.24 3ek5 s LEU 11 Cb -0.18 -2.38 0.00 0.00 -0.43 0.00 0.00 46.19 43.20 3ek5 s LEU 11 CO -0.07 0.02 -0.22 -0.75 -0.29 0.00 0.00 176.35 175.04 3ek5 s LYS 12 N 0.93 3.06 0.34 1.98 2.36 0.61 -1.04 119.74 127.98 3ek5 s LYS 12 Ca 0.16 -0.85 0.09 0.00 -2.55 0.00 0.00 55.97 52.82 3ek5 s LYS 12 Cb -0.14 -2.40 -0.06 0.00 -1.05 0.00 0.00 37.83 34.17 3ek5 s LYS 12 CO 0.06 0.07 -0.09 -0.51 1.55 0.00 0.00 175.35 176.42 3ek5 s LEU 13 N 0.62 2.72 0.45 5.43 2.01 0.18 -1.44 118.68 128.65 3ek5 s LEU 13 Ca -0.12 -1.20 0.25 0.00 0.01 0.00 0.00 54.13 53.07 3ek5 s LEU 13 Cb -0.16 -0.97 0.57 0.00 0.01 0.00 0.00 46.19 45.64 3ek5 s LEU 13 CO 0.03 -0.22 1.69 0.77 1.01 0.00 0.00 176.35 179.62 3ek5 h SER 14 N 2.03 0.00 0.00 2.29 4.64 -1.86 -0.13 113.55 120.53 3ek5 h SER 14 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3ek5 h SER 14 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ek5 h SER 14 CO 0.70 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.33 3ek5 n GLY 15 N 0.82 1.59 0.31 -0.77 0.00 -1.26 -2.96 105.19 102.93 3ek5 n GLY 15 Ca 0.03 -0.21 0.17 0.00 0.00 0.00 0.00 46.02 46.00 3ek5 n GLY 15 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ek5 h GLU 16 N 0.00 0.00 -0.74 1.61 4.81 -1.84 0.11 114.58 118.53 3ek5 h GLU 16 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ek5 h GLU 16 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3ek5 h GLU 16 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 3ek5 n ALA 17 N -2.28 2.52 0.39 2.92 0.00 -1.26 -2.55 120.51 120.24 3ek5 n ALA 17 Ca -0.02 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.45 3ek5 n ALA 17 Cb 0.14 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 3ek5 n ALA 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ek5 n LEU 18 N -0.11 0.39 -0.22 0.00 4.77 0.38 -4.63 117.00 117.57 3ek5 n LEU 18 Ca 0.00 -0.34 0.14 0.00 -0.03 0.00 0.00 56.01 55.78 3ek5 n LEU 18 Cb 0.20 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.77 3ek5 n LEU 18 CO 0.00 0.10 0.76 1.15 -1.33 0.00 0.00 177.39 178.07 3ek5 n MET 19 N -1.50 0.88 0.00 3.23 0.00 -1.06 -0.14 117.12 118.53 3ek5 n MET 19 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 57.70 57.26 3ek5 n MET 19 Cb 0.24 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.97 3ek5 n MET 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ek5 n GLY 20 N 1.30 1.81 0.46 3.17 0.00 -1.26 -0.89 105.19 109.77 3ek5 n GLY 20 Ca 0.14 0.52 0.07 0.00 0.00 0.00 0.00 46.02 46.75 3ek5 n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ek5 n ASP 21 N 6.10 1.86 -3.94 1.61 5.75 -1.26 -4.91 116.55 121.76 3ek5 n ASP 21 Ca 0.00 -1.43 -0.30 0.00 -0.01 0.00 0.00 54.79 53.05 3ek5 n ASP 21 Cb 0.00 0.27 0.21 0.00 -1.03 0.00 0.00 41.12 40.57 3ek5 n ASP 21 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3ek5 s GLY 22 N -1.58 1.70 -0.11 6.12 0.00 -0.07 -5.02 107.32 108.36 3ek5 s GLY 22 Ca 0.15 -1.12 0.14 0.00 0.00 0.00 0.00 44.72 43.89 3ek5 s GLY 22 CO 0.30 -0.28 1.13 2.09 0.00 0.00 0.00 173.10 176.33 3ek5 n ASP 23 N -4.24 1.70 0.00 1.64 3.85 -1.26 -4.89 116.55 113.35 3ek5 n ASP 23 Ca 0.15 -2.94 0.00 0.00 -0.71 0.00 0.00 54.79 51.29 3ek5 n ASP 23 Cb 0.59 -0.39 0.00 0.00 -1.35 0.00 0.00 41.12 39.97 3ek5 n ASP 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ek5 n TYR 24 N -0.99 0.00 0.00 2.11 0.18 -1.26 -5.02 117.16 112.18 3ek5 n TYR 24 Ca 0.13 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.91 3ek5 n TYR 24 Cb 0.69 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.65 3ek5 n TYR 24 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3ek5 n GLY 25 N -0.72 1.07 3.47 -7.48 0.00 -1.26 -4.19 105.19 96.08 3ek5 n GLY 25 Ca 0.00 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 3ek5 n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ek5 s ILE 26 N 1.12 2.97 -0.37 -0.61 1.01 -1.26 -4.13 121.20 119.93 3ek5 s ILE 26 Ca 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 3ek5 s ILE 26 Cb 0.00 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.27 3ek5 s ILE 26 CO 0.00 0.47 0.40 -0.62 0.00 0.00 0.00 174.94 175.19 3ek5 s ASP 27 N -1.07 6.19 0.39 3.58 3.68 0.80 -4.94 116.67 125.31 3ek5 s ASP 27 Ca 0.13 -0.40 0.19 0.00 2.13 0.00 0.00 52.55 54.60 3ek5 s ASP 27 Cb -0.11 -2.21 1.15 0.00 -1.45 0.00 0.00 42.92 40.30 3ek5 s ASP 27 CO 0.03 -0.44 1.71 1.55 0.13 0.00 0.00 175.17 178.15 3ek5 h PRO 28 N 8.57 0.32 0.62 4.34 0.13 -1.96 0.21 132.00 144.23 3ek5 h PRO 28 Ca -0.28 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.80 3ek5 h PRO 28 Cb 1.13 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3ek5 h PRO 28 CO 0.74 0.21 -0.42 -0.22 -0.23 0.00 0.00 178.00 178.08 3ek5 h LYS 29 N 0.33 -0.95 -0.49 0.86 3.64 -1.95 -1.62 116.57 116.39 3ek5 h LYS 29 Ca 0.68 0.06 0.04 0.00 -1.27 0.00 0.00 60.65 60.16 3ek5 h LYS 29 Cb 1.74 0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 33.75 3ek5 h LYS 29 CO -0.40 -0.63 0.33 0.28 -2.27 0.00 0.00 179.45 176.76 3ek5 h VAL 30 N -0.99 1.04 0.15 2.00 2.07 -0.93 0.25 116.25 119.84 3ek5 h VAL 30 Ca -0.08 -0.18 -0.31 0.00 0.82 0.00 0.00 66.70 66.95 3ek5 h VAL 30 Cb 0.80 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3ek5 h VAL 30 CO 0.05 0.10 -1.50 -0.29 0.02 0.00 0.00 177.57 175.95 3ek5 h ILE 31 N 0.53 1.20 -0.47 4.57 2.10 -1.24 -1.00 117.51 123.21 3ek5 h ILE 31 Ca 0.20 -2.79 -0.05 0.00 1.08 0.00 0.00 64.86 63.30 3ek5 h ILE 31 Cb 0.13 2.83 -0.02 0.00 -1.09 0.00 0.00 36.82 38.68 3ek5 h ILE 31 CO -0.05 0.84 0.10 -1.13 -1.08 0.00 0.00 178.15 176.83 3ek5 h ASN 32 N 0.08 0.72 -0.24 2.19 -1.24 -0.91 0.92 115.58 117.10 3ek5 h ASN 32 Ca -0.24 -0.24 0.04 0.00 0.71 0.00 0.00 56.30 56.57 3ek5 h ASN 32 Cb 2.04 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 40.86 3ek5 h ASN 32 CO 0.19 0.77 0.02 -0.09 -1.29 0.00 0.00 177.43 177.03 3ek5 h ARG 33 N 0.63 0.09 -0.34 6.67 2.43 -0.96 -2.26 114.38 120.65 3ek5 h ARG 33 Ca 0.15 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 3ek5 h ARG 33 Cb 0.34 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3ek5 h ARG 33 CO 0.00 0.06 -0.18 1.25 -1.51 0.00 0.00 179.97 179.60 3ek5 h LEU 34 N 0.10 0.61 -0.93 3.80 6.46 -1.08 -2.73 115.31 121.55 3ek5 h LEU 34 Ca 0.11 -0.19 0.09 0.00 -0.12 0.00 0.00 57.88 57.77 3ek5 h LEU 34 Cb 0.14 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 39.83 3ek5 h LEU 34 CO -0.18 0.80 0.58 0.00 -0.62 0.00 0.00 178.44 179.02 3ek5 h ALA 35 N 1.26 1.33 0.11 1.25 0.00 -0.51 -2.11 119.26 120.58 3ek5 h ALA 35 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ek5 h ALA 35 Cb 0.61 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3ek5 h ALA 35 CO 0.04 0.27 -0.05 0.45 0.00 0.00 0.00 179.25 179.95 3ek5 h HIS 36 N 0.99 -0.14 -0.84 0.00 3.86 -1.11 0.13 115.15 118.02 3ek5 h HIS 36 Ca 0.43 -0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.81 3ek5 h HIS 36 Cb 0.30 0.05 -0.16 0.00 1.06 0.00 0.00 27.41 28.66 3ek5 h HIS 36 CO -0.02 0.26 -0.17 0.93 0.86 0.00 0.00 177.93 179.78 3ek5 h GLU 37 N -0.58 0.01 -0.33 2.45 4.39 -1.43 0.26 114.58 119.34 3ek5 h GLU 37 Ca -0.02 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 3ek5 h GLU 37 Cb 0.46 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 3ek5 h GLU 37 CO 0.03 0.01 -0.29 0.28 -1.16 0.00 0.00 179.01 177.87 3ek5 h VAL 38 N 0.01 1.29 -0.62 3.13 2.07 -1.10 -2.22 116.25 118.80 3ek5 h VAL 38 Ca 0.42 -1.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 3ek5 h VAL 38 Cb 0.67 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 3ek5 h VAL 38 CO -0.85 0.48 0.22 -0.29 0.02 0.00 0.00 177.57 177.14 3ek5 h ILE 39 N 0.56 1.23 0.62 4.57 6.09 0.40 -2.31 117.51 128.67 3ek5 h ILE 39 Ca 0.06 -0.75 -0.03 0.00 -1.37 0.00 0.00 64.86 62.76 3ek5 h ILE 39 Cb 0.87 0.52 0.01 0.00 0.47 0.00 0.00 36.82 38.68 3ek5 h ILE 39 CO 0.07 0.30 -0.30 -0.33 -3.07 0.00 0.00 178.15 174.82 3ek5 h GLU 40 N 0.91 -0.80 -0.65 2.19 5.08 -0.32 -0.79 114.58 120.19 3ek5 h GLU 40 Ca 0.21 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.75 3ek5 h GLU 40 Cb 0.22 0.18 -0.09 0.00 0.50 0.00 0.00 28.75 29.56 3ek5 h GLU 40 CO -0.01 -0.50 0.15 0.00 -1.00 0.00 0.00 179.01 177.65 3ek5 h ALA 41 N -0.64 0.80 -0.42 3.43 0.00 -1.33 -1.88 119.26 119.21 3ek5 h ALA 41 Ca -0.08 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3ek5 h ALA 41 Cb 0.67 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3ek5 h ALA 41 CO 0.14 -0.31 0.23 0.37 0.00 0.00 0.00 179.25 179.68 3ek5 h GLN 42 N 0.27 0.59 0.00 0.00 4.15 -1.17 0.91 115.11 119.87 3ek5 h GLN 42 Ca 0.35 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.70 3ek5 h GLN 42 Cb 0.54 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.12 3ek5 h GLN 42 CO -0.44 0.47 0.10 1.96 -1.93 0.00 0.00 178.83 179.00 3ek5 h GLN 43 N 0.55 0.00 -0.65 1.69 4.20 -0.36 0.18 115.11 120.72 3ek5 h GLN 43 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3ek5 h GLN 43 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3ek5 h GLN 43 CO -0.02 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.14 3ek5 n ALA 44 N -1.92 3.21 -0.33 3.87 0.00 0.27 -4.93 120.51 120.68 3ek5 n ALA 44 Ca -0.02 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.88 3ek5 n ALA 44 Cb 0.16 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3ek5 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek5 n GLY 45 N 1.00 0.70 3.74 0.00 0.00 0.05 -4.60 105.19 106.09 3ek5 n GLY 45 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3ek5 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek5 s ALA 46 N -2.52 3.42 -0.47 4.61 0.00 -0.93 -4.87 121.76 121.00 3ek5 s ALA 46 Ca 0.00 0.91 -0.16 0.00 0.00 0.00 0.00 51.96 52.72 3ek5 s ALA 46 Cb 0.00 -3.38 0.07 0.00 0.00 0.00 0.00 23.12 19.80 3ek5 s ALA 46 CO 0.00 -0.30 0.40 -0.65 0.00 0.00 0.00 175.76 175.21 3ek5 s GLN 47 N -0.54 2.99 -0.17 0.00 -0.21 0.27 -4.34 119.66 117.66 3ek5 s GLN 47 Ca 0.50 -1.28 -0.06 0.00 0.02 0.00 0.00 55.36 54.54 3ek5 s GLN 47 Cb -0.32 -4.11 -0.03 0.00 1.00 0.00 0.00 33.01 29.54 3ek5 s GLN 47 CO 0.37 -1.01 0.02 0.08 -2.12 0.00 0.00 175.29 172.64 3ek5 s VAL 48 N 1.71 4.40 -0.05 1.09 1.01 -1.26 -1.08 120.40 126.22 3ek5 s VAL 48 Ca 0.05 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 61.92 3ek5 s VAL 48 Cb -0.23 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 3ek5 s VAL 48 CO 0.07 0.48 -0.24 0.00 0.00 0.00 0.00 175.10 175.41 3ek5 s ALA 49 N 0.35 2.23 0.02 5.51 0.00 0.05 -1.51 121.76 128.41 3ek5 s ALA 49 Ca -0.00 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.94 3ek5 s ALA 49 Cb -0.13 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 3ek5 s ALA 49 CO 0.01 0.46 -0.04 -0.51 0.00 0.00 0.00 175.76 175.68 3ek5 s LEU 50 N -0.33 3.28 -0.09 0.00 1.43 0.13 0.34 118.68 123.44 3ek5 s LEU 50 Ca 0.02 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3ek5 s LEU 50 Cb -0.12 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.21 3ek5 s LEU 50 CO 0.02 0.26 0.01 -0.69 0.23 0.00 0.00 176.35 176.18 3ek5 s VAL 51 N -1.08 0.36 -0.06 -1.59 1.01 -0.21 -1.44 120.40 117.39 3ek5 s VAL 51 Ca 0.19 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.27 3ek5 s VAL 51 Cb -0.11 -0.57 -0.00 0.00 0.00 0.00 0.00 36.38 35.69 3ek5 s VAL 51 CO 0.10 0.19 -0.21 -0.63 0.00 0.00 0.00 175.10 174.55 3ek5 s ILE 52 N 1.97 1.74 0.00 2.22 1.01 -1.26 -0.64 121.20 126.24 3ek5 s ILE 52 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.82 3ek5 s ILE 52 Cb -0.13 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.85 3ek5 s ILE 52 CO -0.06 0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.98 3ek5 n GLY 53 N 3.17 -1.85 0.00 6.18 0.00 -0.06 -4.81 105.19 107.82 3ek5 n GLY 53 Ca -0.18 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3ek5 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek5 n GLY 54 N 3.45 -0.17 0.06 -0.02 0.00 -1.23 -4.36 105.19 102.92 3ek5 n GLY 54 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3ek5 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek5 n GLY 55 N -0.19 -0.60 0.11 -0.02 0.00 -1.26 -0.70 105.19 102.53 3ek5 n GLY 55 Ca 0.00 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3ek5 n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3ek5 h ASN 56 N 0.00 0.00 0.00 1.61 -0.00 -1.84 -3.39 115.58 111.97 3ek5 h ASN 56 Ca 0.00 -0.07 -0.38 0.00 -0.00 0.00 0.00 56.30 55.84 3ek5 h ASN 56 Cb 0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.34 3ek5 h ASN 56 CO 0.00 0.04 -2.39 -0.38 -0.00 0.00 0.00 177.43 174.70 3ek5 n ILE 57 N -2.52 1.38 -1.93 6.14 2.08 0.12 -4.33 119.36 120.30 3ek5 n ILE 57 Ca 0.01 -0.47 -0.40 0.00 0.56 0.00 0.00 62.75 62.45 3ek5 n ILE 57 Cb 0.51 -1.51 -0.01 0.00 -0.75 0.00 0.00 39.64 37.88 3ek5 n ILE 57 CO 0.00 0.00 0.00 0.33 0.56 0.00 0.00 176.55 177.44 3ek5 n PHE 58 N -3.51 2.65 -4.26 1.39 -0.00 -0.15 -4.89 117.46 108.69 3ek5 n PHE 58 Ca -0.45 -2.87 -0.14 0.00 -0.00 0.00 0.00 57.45 53.99 3ek5 n PHE 58 Cb 0.92 -1.98 -0.10 0.00 -0.00 0.00 0.00 39.48 38.32 3ek5 n PHE 58 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 3ek5 s ARG 59 N -0.26 1.16 0.00 -4.13 1.70 -1.26 -4.59 118.95 111.57 3ek5 s ARG 59 Ca 0.54 -1.57 0.00 0.00 -0.47 0.00 0.00 55.73 54.23 3ek5 s ARG 59 Cb 0.17 -0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.21 3ek5 s ARG 59 CO -0.07 -0.13 0.00 0.41 -1.08 0.00 0.00 175.30 174.43 3ek5 n GLY 60 N -0.28 1.90 0.26 3.88 0.00 -1.26 -4.33 105.19 105.36 3ek5 n GLY 60 Ca -0.06 -1.71 -0.01 0.00 0.00 0.00 0.00 46.02 44.24 3ek5 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek5 h ALA 61 N 0.00 0.91 -0.88 4.61 0.00 -2.00 0.88 119.26 122.78 3ek5 h ALA 61 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3ek5 h ALA 61 Cb 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 3ek5 h ALA 61 CO 0.00 0.03 0.57 0.78 0.00 0.00 0.00 179.25 180.63 3ek5 h GLY 62 N 0.67 1.27 0.16 0.00 0.00 -2.00 -2.67 103.07 100.49 3ek5 h GLY 62 Ca 0.31 -0.39 -0.33 0.00 0.00 0.00 0.00 47.33 46.92 3ek5 h GLY 62 CO -0.20 0.26 -1.83 1.04 0.00 0.00 0.00 176.54 175.82 3ek5 n LEU 63 N -4.50 2.19 -2.85 3.11 4.77 -0.61 -4.40 117.00 114.71 3ek5 n LEU 63 Ca 0.14 0.30 -0.39 0.00 -0.03 0.00 0.00 56.01 56.02 3ek5 n LEU 63 Cb 0.23 -0.97 0.04 0.00 -2.33 0.00 0.00 43.42 40.39 3ek5 n LEU 63 CO 0.32 0.55 1.45 0.00 -1.33 0.00 0.00 177.39 178.38 3ek5 n ALA 64 N -3.46 6.42 -1.67 -1.18 0.00 0.21 -4.92 120.51 115.90 3ek5 n ALA 64 Ca -0.38 -4.10 -0.47 0.00 0.00 0.00 0.00 53.44 48.50 3ek5 n ALA 64 Cb 0.85 -1.88 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 3ek5 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ek5 n ALA 65 N -0.56 1.20 -0.15 0.00 0.00 -1.01 -4.83 120.51 115.16 3ek5 n ALA 65 Ca 0.53 0.42 -0.04 0.00 0.00 0.00 0.00 53.44 54.36 3ek5 n ALA 65 Cb 0.29 -2.36 -0.04 0.00 0.00 0.00 0.00 19.45 17.34 3ek5 n ALA 65 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ek5 n SER 66 N 3.87 -0.39 0.00 0.00 3.41 -1.26 -3.90 113.62 115.35 3ek5 n SER 66 Ca 0.18 0.90 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 3ek5 n SER 66 Cb 0.28 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3ek5 n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ek5 n GLY 67 N -1.09 -2.33 1.39 5.00 0.00 -1.26 -5.01 105.19 101.89 3ek5 n GLY 67 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3ek5 n GLY 67 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3ek5 n MET 68 N 0.00 -2.00 -1.56 1.61 3.85 -1.25 -4.62 117.12 113.15 3ek5 n MET 68 Ca 0.00 1.48 -0.52 0.00 -1.00 0.00 0.00 57.70 57.66 3ek5 n MET 68 Cb 0.00 -1.96 -0.07 0.00 -1.05 0.00 0.00 33.22 30.14 3ek5 n MET 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3ek5 n ASP 69 N -0.57 2.47 -0.34 3.17 -0.08 -1.26 -4.82 116.55 115.12 3ek5 n ASP 69 Ca 0.00 0.69 0.08 0.00 -1.51 0.00 0.00 54.79 54.06 3ek5 n ASP 69 Cb 0.00 -1.25 0.27 0.00 2.34 0.00 0.00 41.12 42.48 3ek5 n ASP 69 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3ek5 h ARG 70 N 10.44 0.90 -0.15 -0.67 2.43 -1.96 -1.15 114.38 124.20 3ek5 h ARG 70 Ca -0.36 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.74 3ek5 h ARG 70 Cb 1.31 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3ek5 h ARG 70 CO 0.99 0.59 0.06 0.28 -1.51 0.00 0.00 179.97 180.39 3ek5 h VAL 71 N 0.93 1.16 0.00 0.20 2.07 -1.99 0.21 116.25 118.81 3ek5 h VAL 71 Ca 0.49 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3ek5 h VAL 71 Cb 0.55 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3ek5 h VAL 71 CO -0.25 0.15 -0.11 0.71 0.02 0.00 0.00 177.57 178.08 3ek5 h THR 72 N 0.09 0.73 -0.14 2.57 1.35 -1.83 -0.86 112.91 114.81 3ek5 h THR 72 Ca 0.05 -0.44 -0.06 0.00 -0.55 0.00 0.00 66.41 65.41 3ek5 h THR 72 Cb 0.17 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3ek5 h THR 72 CO -0.00 0.11 -0.16 1.23 -0.25 0.00 0.00 175.52 176.45 3ek5 h GLY 73 N 0.57 0.39 1.63 5.82 0.00 -0.66 -2.16 103.07 108.66 3ek5 h GLY 73 Ca -0.00 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 46.94 3ek5 h GLY 73 CO 0.01 0.37 0.20 -0.55 0.00 0.00 0.00 176.54 176.58 3ek5 h ASP 74 N -0.02 0.28 0.25 0.19 3.45 -0.39 -0.75 116.42 119.43 3ek5 h ASP 74 Ca 0.02 -0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.36 3ek5 h ASP 74 Cb 0.69 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.39 3ek5 h ASP 74 CO 0.04 0.19 -0.47 0.45 -1.57 0.00 0.00 179.24 177.88 3ek5 h HIS 75 N 0.32 0.31 -0.46 4.55 3.86 -0.82 -0.77 115.15 122.15 3ek5 h HIS 75 Ca 0.12 -0.10 -0.14 0.00 -1.16 0.00 0.00 60.37 59.09 3ek5 h HIS 75 Cb 0.09 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 3ek5 h HIS 75 CO -0.00 0.69 -0.27 0.52 0.86 0.00 0.00 177.93 179.73 3ek5 h MET 76 N 0.21 0.98 -0.42 2.45 2.86 -0.64 -1.47 114.93 118.91 3ek5 h MET 76 Ca 0.01 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 3ek5 h MET 76 Cb 0.91 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 3ek5 h MET 76 CO 0.07 1.12 0.21 0.78 1.06 0.00 0.00 176.91 180.15 3ek5 h GLY 77 N 0.85 0.64 0.53 8.32 0.00 -0.88 0.43 103.07 112.97 3ek5 h GLY 77 Ca 0.10 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.15 3ek5 h GLY 77 CO 0.08 0.30 -0.08 -0.33 0.00 0.00 0.00 176.54 176.51 3ek5 h MET 78 N 0.54 -0.05 -0.35 4.80 2.86 -1.03 -0.07 114.93 121.63 3ek5 h MET 78 Ca 0.14 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.72 3ek5 h MET 78 Cb 0.11 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3ek5 h MET 78 CO -0.02 -0.03 -0.06 -0.07 1.06 0.00 0.00 176.91 177.78 3ek5 h LEU 79 N -0.05 0.54 -0.69 1.22 3.38 -0.89 -1.71 115.31 117.11 3ek5 h LEU 79 Ca 0.10 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3ek5 h LEU 79 Cb 0.21 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 3ek5 h LEU 79 CO -0.23 0.66 0.35 0.00 0.09 0.00 0.00 178.44 179.31 3ek5 h ALA 80 N 1.40 0.94 0.00 1.53 0.00 0.13 -0.87 119.26 122.40 3ek5 h ALA 80 Ca 0.10 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3ek5 h ALA 80 Cb 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ek5 h ALA 80 CO 0.02 -0.02 -0.33 1.79 0.00 0.00 0.00 179.25 180.70 3ek5 h THR 81 N 0.62 1.05 -0.57 0.00 1.35 -0.18 -1.05 112.91 114.13 3ek5 h THR 81 Ca 0.33 -1.22 -0.09 0.00 -0.55 0.00 0.00 66.41 64.88 3ek5 h THR 81 Cb 0.31 1.70 -0.02 0.00 -1.73 0.00 0.00 68.15 68.40 3ek5 h THR 81 CO -0.24 0.33 0.01 0.58 -0.25 0.00 0.00 175.52 175.95 3ek5 h VAL 82 N 0.00 1.26 -0.21 6.82 2.07 -0.62 -1.09 116.25 124.48 3ek5 h VAL 82 Ca -0.00 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 3ek5 h VAL 82 Cb 0.67 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3ek5 h VAL 82 CO 0.04 0.39 -0.05 0.40 0.02 0.00 0.00 177.57 178.37 3ek5 h ILE 83 N 0.90 1.29 -0.46 4.57 2.04 -0.68 -1.34 117.51 123.83 3ek5 h ILE 83 Ca 0.17 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.99 3ek5 h ILE 83 Cb 0.50 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 3ek5 h ILE 83 CO 0.02 0.32 0.30 0.78 0.00 0.00 0.00 178.15 179.57 3ek5 h ASN 84 N 0.14 0.52 -0.92 1.72 -0.26 -1.09 -1.62 115.58 114.07 3ek5 h ASN 84 Ca 0.05 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 3ek5 h ASN 84 Cb 0.50 -0.13 -0.05 0.00 -1.06 0.00 0.00 38.32 37.59 3ek5 h ASN 84 CO 0.02 0.38 0.58 0.00 -1.06 0.00 0.00 177.43 177.35 3ek5 h ALA 85 N 1.17 1.18 -0.86 -0.83 0.00 -1.13 0.25 119.26 119.04 3ek5 h ALA 85 Ca 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ek5 h ALA 85 Cb -0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.31 3ek5 h ALA 85 CO -0.04 0.61 0.48 -0.07 0.00 0.00 0.00 179.25 180.23 3ek5 h LEU 86 N 1.26 1.06 -0.52 0.00 4.07 -0.85 0.65 115.31 120.99 3ek5 h LEU 86 Ca 0.33 -0.08 -0.15 0.00 0.08 0.00 0.00 57.88 58.06 3ek5 h LEU 86 Cb -0.09 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.37 3ek5 h LEU 86 CO -0.07 0.84 -0.41 0.00 -1.08 0.00 0.00 178.44 177.72 3ek5 h ALA 87 N 1.33 0.70 0.00 1.53 0.00 -0.18 -2.13 119.26 120.51 3ek5 h ALA 87 Ca 0.30 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3ek5 h ALA 87 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ek5 h ALA 87 CO -0.05 0.67 -0.26 1.98 0.00 0.00 0.00 179.25 181.58 3ek5 h MET 88 N 0.61 0.00 0.14 0.00 1.85 -0.02 -1.94 114.93 115.57 3ek5 h MET 88 Ca 0.05 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.13 3ek5 h MET 88 Cb 0.97 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.00 3ek5 h MET 88 CO 0.09 0.26 -0.07 0.37 -0.40 0.00 0.00 176.91 177.17 3ek5 h GLN 89 N 0.00 -0.18 0.00 0.39 4.15 -0.43 -2.13 115.11 116.91 3ek5 h GLN 89 Ca -0.00 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 3ek5 h GLN 89 Cb 0.64 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 3ek5 h GLN 89 CO 0.03 0.27 -0.20 0.22 -1.93 0.00 0.00 178.83 177.22 3ek5 h ASP 90 N -0.73 0.00 0.09 -0.69 1.82 -1.30 0.98 116.42 116.58 3ek5 h ASP 90 Ca -0.02 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.37 3ek5 h ASP 90 Cb 0.53 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.55 3ek5 h ASP 90 CO 0.03 0.20 -0.99 0.00 -1.61 0.00 0.00 179.24 176.87 3ek5 h ALA 91 N 1.80 0.22 -0.09 -0.78 0.00 -1.36 -2.53 119.26 116.51 3ek5 h ALA 91 Ca -0.00 -0.69 -0.18 0.00 0.00 0.00 0.00 54.91 54.03 3ek5 h ALA 91 Cb 0.37 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ek5 h ALA 91 CO 0.03 0.72 -0.71 -0.07 0.00 0.00 0.00 179.25 179.22 3ek5 h LEU 92 N 0.36 0.49 -0.76 0.00 3.38 -0.64 -3.00 115.31 115.14 3ek5 h LEU 92 Ca -0.11 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 3ek5 h LEU 92 Cb 1.64 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 3ek5 h LEU 92 CO 0.19 1.05 -0.33 -0.33 0.09 0.00 0.00 178.44 179.11 3ek5 h GLU 93 N 0.28 0.00 0.00 1.13 5.08 -0.90 -2.03 114.58 118.15 3ek5 h GLU 93 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3ek5 h GLU 93 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 3ek5 h GLU 93 CO 0.12 0.33 -0.10 0.87 -1.00 0.00 0.00 179.01 179.23 3ek5 h LYS 94 N 0.00 0.00 -0.65 2.33 1.57 -1.30 -2.16 116.57 116.36 3ek5 h LYS 94 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ek5 h LYS 94 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3ek5 h LYS 94 CO 0.04 0.10 0.00 1.28 -0.57 0.00 0.00 179.45 180.31 3ek5 n LEU 95 N -3.92 4.57 0.00 2.94 4.77 -0.89 -4.92 117.00 119.56 3ek5 n LEU 95 Ca -0.02 -2.31 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 3ek5 n LEU 95 Cb 0.20 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 3ek5 n LEU 95 CO 0.31 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 3ek5 n GLY 96 N 1.01 0.72 3.85 -0.72 0.00 -0.81 -5.04 105.19 104.20 3ek5 n GLY 96 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 3ek5 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek5 s ALA 97 N -2.13 3.36 -0.17 4.61 0.00 -0.82 -5.00 121.76 121.61 3ek5 s ALA 97 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.80 3ek5 s ALA 97 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 3ek5 s ALA 97 CO 0.00 0.35 0.34 0.15 0.00 0.00 0.00 175.76 176.59 3ek5 s LYS 98 N -2.99 4.24 0.08 0.00 1.02 -1.26 -4.16 119.74 116.67 3ek5 s LYS 98 Ca 0.53 0.14 0.08 0.00 0.02 0.00 0.00 55.97 56.74 3ek5 s LYS 98 Cb -0.10 -3.46 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 3ek5 s LYS 98 CO 0.18 0.14 -0.20 0.08 -0.92 0.00 0.00 175.35 174.63 3ek5 s VAL 99 N 0.75 1.67 -0.24 3.17 1.01 -1.26 -0.81 120.40 124.69 3ek5 s VAL 99 Ca 0.18 -1.42 -0.03 0.00 0.00 0.00 0.00 61.98 60.71 3ek5 s VAL 99 Cb -0.14 -1.50 0.08 0.00 0.00 0.00 0.00 36.38 34.82 3ek5 s VAL 99 CO 0.06 0.02 0.07 -0.13 0.00 0.00 0.00 175.10 175.12 3ek5 s ARG 100 N -1.66 0.56 0.15 2.72 1.81 -0.45 -4.92 118.95 117.16 3ek5 s ARG 100 Ca 0.06 -0.60 -0.28 0.00 -1.72 0.00 0.00 55.73 53.19 3ek5 s ARG 100 Cb -0.10 -1.91 -0.07 0.00 -0.45 0.00 0.00 34.95 32.43 3ek5 s ARG 100 CO 0.03 -0.80 0.89 0.08 -0.68 0.00 0.00 175.30 174.82 3ek5 s VAL 101 N 1.85 4.40 -0.06 3.52 1.01 -1.26 -1.85 120.40 128.00 3ek5 s VAL 101 Ca 0.04 1.93 -0.02 0.00 0.00 0.00 0.00 61.98 63.93 3ek5 s VAL 101 Cb -0.17 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 31.99 3ek5 s VAL 101 CO -0.18 0.42 0.02 -0.04 0.00 0.00 0.00 175.10 175.32 3ek5 s MET 102 N -0.55 0.36 0.05 2.72 1.00 0.13 -2.43 119.30 120.57 3ek5 s MET 102 Ca 0.42 0.21 0.00 0.00 0.00 0.00 0.00 55.69 56.32 3ek5 s MET 102 Cb -0.24 -0.80 -0.04 0.00 0.00 0.00 0.00 34.83 33.76 3ek5 s MET 102 CO 0.29 -0.31 0.17 0.45 0.00 0.00 0.00 175.02 175.62 3ek5 s SER 103 N 2.03 6.14 0.00 3.03 0.15 -0.77 -1.76 113.70 122.51 3ek5 s SER 103 Ca 0.05 0.21 0.29 0.00 0.70 0.00 0.00 55.95 57.20 3ek5 s SER 103 Cb -0.12 -1.84 1.19 0.00 -1.71 0.00 0.00 66.02 63.53 3ek5 s SER 103 CO -0.04 0.19 1.88 0.00 1.20 0.00 0.00 173.24 176.47 3ek5 n ALA 104 N 0.47 2.51 -2.45 5.45 0.00 0.13 -1.04 120.51 125.58 3ek5 n ALA 104 Ca -0.07 -0.14 -0.27 0.00 0.00 0.00 0.00 53.44 52.96 3ek5 n ALA 104 Cb 0.51 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 3ek5 n ALA 104 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3ek5 s ILE 105 N -2.92 1.89 -0.13 0.00 -4.36 -1.26 -4.49 121.20 109.92 3ek5 s ILE 105 Ca 0.16 -1.42 -0.29 0.00 -0.26 0.00 0.00 60.65 58.84 3ek5 s ILE 105 Cb 0.19 -1.66 -0.03 0.00 1.25 0.00 0.00 42.46 42.21 3ek5 s ILE 105 CO 0.54 0.16 1.46 -0.54 0.24 0.00 0.00 174.94 176.81 3ek5 s LYS 106 N -1.51 4.16 -0.35 0.37 1.02 -1.26 -4.86 119.74 117.30 3ek5 s LYS 106 Ca 0.09 1.87 0.14 0.00 0.02 0.00 0.00 55.97 58.10 3ek5 s LYS 106 Cb -0.10 -3.89 0.42 0.00 -0.52 0.00 0.00 37.83 33.75 3ek5 s LYS 106 CO 0.03 -0.83 1.01 -0.89 -0.92 0.00 0.00 175.35 173.75 3ek5 n ILE 107 N 5.54 0.54 0.30 2.17 5.41 -1.26 -5.01 119.36 127.05 3ek5 n ILE 107 Ca 0.16 -2.86 0.17 0.00 1.00 0.00 0.00 62.75 61.21 3ek5 n ILE 107 Cb 0.44 0.65 0.97 0.00 -0.71 0.00 0.00 39.64 40.99 3ek5 n ILE 107 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3ek5 h ASN 108 N 2.78 0.00 -0.45 4.38 4.21 -1.90 0.24 115.58 124.85 3ek5 h ASN 108 Ca -0.11 0.00 0.08 0.00 1.21 0.00 0.00 56.30 57.48 3ek5 h ASN 108 Cb 1.17 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.27 3ek5 h ASN 108 CO 0.35 0.01 -0.39 0.44 -1.29 0.00 0.00 177.43 176.56 3ek5 h ASP 109 N 0.00 -1.30 0.73 5.81 3.45 -2.02 -3.28 116.42 119.81 3ek5 h ASP 109 Ca -0.00 0.21 -0.25 0.00 0.43 0.00 0.00 57.03 57.42 3ek5 h ASP 109 Cb 0.02 0.59 -0.04 0.00 -0.56 0.00 0.00 39.33 39.35 3ek5 h ASP 109 CO 0.00 -0.34 -1.37 0.58 -1.57 0.00 0.00 179.24 176.54 3ek5 h VAL 110 N -0.27 1.27 -1.74 -1.35 2.07 -0.98 -3.47 116.25 111.78 3ek5 h VAL 110 Ca 0.17 -3.05 0.20 0.00 0.82 0.00 0.00 66.70 64.84 3ek5 h VAL 110 Cb 0.57 2.64 -0.18 0.00 -1.52 0.00 0.00 31.29 32.80 3ek5 h VAL 110 CO -0.59 0.74 0.70 0.00 0.02 0.00 0.00 177.57 178.44 3ek5 s GLU 112 N -2.63 4.30 0.68 0.00 -1.05 -1.02 -3.94 118.70 115.05 3ek5 s GLU 112 Ca 0.08 1.23 -0.17 0.00 -0.15 0.00 0.00 54.97 55.96 3ek5 s GLU 112 Cb -0.01 -2.39 0.00 0.00 -0.44 0.00 0.00 34.13 31.29 3ek5 s GLU 112 CO -0.06 0.03 1.18 -3.47 0.95 0.00 0.00 175.26 173.89 3ek5 n ASP 113 N -0.25 1.47 -4.68 0.83 -0.08 -1.26 -1.85 116.55 110.72 3ek5 n ASP 113 Ca 0.05 0.76 -0.40 0.00 -1.51 0.00 0.00 54.79 53.69 3ek5 n ASP 113 Cb 0.52 -1.50 -0.05 0.00 2.34 0.00 0.00 41.12 42.43 3ek5 n ASP 113 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3ek5 s PHE 114 N -1.59 3.46 -0.12 -0.67 5.36 -0.21 -4.60 117.98 119.62 3ek5 s PHE 114 Ca 0.79 1.11 -0.04 0.00 -0.96 0.00 0.00 56.93 57.84 3ek5 s PHE 114 Cb -0.36 -2.84 0.05 0.00 -0.34 0.00 0.00 43.02 39.53 3ek5 s PHE 114 CO 0.44 -0.09 0.13 0.42 -1.46 0.00 0.00 175.22 174.67 3ek5 s ILE 115 N 1.53 -0.19 0.19 3.12 1.01 -1.26 -4.98 121.20 120.63 3ek5 s ILE 115 Ca 0.34 0.16 -0.15 0.00 0.00 0.00 0.00 60.65 61.00 3ek5 s ILE 115 Cb -0.17 -0.39 0.18 0.00 0.01 0.00 0.00 42.46 42.09 3ek5 s ILE 115 CO 0.13 -0.01 1.64 -0.09 0.00 0.00 0.00 174.94 176.61 3ek5 h ARG 116 N 8.39 -0.00 -0.29 2.79 2.43 -1.97 0.91 114.38 126.63 3ek5 h ARG 116 Ca -0.14 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3ek5 h ARG 116 Cb 1.13 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3ek5 h ARG 116 CO 0.20 -0.00 0.15 0.00 -1.51 0.00 0.00 179.97 178.81 3ek5 h ARG 117 N -0.00 0.41 -0.48 0.20 3.08 -1.97 -2.05 114.38 113.57 3ek5 h ARG 117 Ca 0.26 -0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.34 3ek5 h ARG 117 Cb 0.41 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.31 3ek5 h ARG 117 CO -0.57 0.37 0.09 0.00 -1.07 0.00 0.00 179.97 178.79 3ek5 h ARG 118 N 0.35 0.21 -0.65 0.04 2.47 -1.57 -2.64 114.38 112.58 3ek5 h ARG 118 Ca 0.10 -0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.84 3ek5 h ARG 118 Cb 0.08 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.31 3ek5 h ARG 118 CO -0.02 0.14 0.40 0.00 0.56 0.00 0.00 179.97 181.06 3ek5 h ALA 119 N 1.37 0.85 0.47 0.04 0.00 -0.20 -0.31 119.26 121.48 3ek5 h ALA 119 Ca 0.24 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3ek5 h ALA 119 Cb 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ek5 h ALA 119 CO -0.32 0.16 -0.24 0.82 0.00 0.00 0.00 179.25 179.67 3ek5 h ILE 120 N 0.79 0.50 -0.71 0.00 2.04 -1.30 -0.92 117.51 117.92 3ek5 h ILE 120 Ca 0.26 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.21 3ek5 h ILE 120 Cb 0.02 0.50 -0.11 0.00 -0.74 0.00 0.00 36.82 36.49 3ek5 h ILE 120 CO -0.11 0.00 -0.50 -0.09 0.00 0.00 0.00 178.15 177.46 3ek5 h ARG 121 N -0.65 -0.17 -0.64 2.37 9.65 -1.14 0.34 114.38 124.14 3ek5 h ARG 121 Ca -0.06 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 58.96 3ek5 h ARG 121 Cb 0.51 0.04 -0.10 0.00 -1.39 0.00 0.00 29.97 29.03 3ek5 h ARG 121 CO 0.09 -0.11 0.07 0.45 2.80 0.00 0.00 179.97 183.27 3ek5 h HIS 122 N -0.17 0.08 -0.13 2.20 3.86 -0.68 -1.38 115.15 118.93 3ek5 h HIS 122 Ca 0.17 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.43 3ek5 h HIS 122 Cb 0.53 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 3ek5 h HIS 122 CO -0.82 -0.12 0.08 -0.07 0.86 0.00 0.00 177.93 177.86 3ek5 h LEU 123 N 0.18 0.16 -0.73 2.43 -0.00 0.95 -1.25 115.31 117.05 3ek5 h LEU 123 Ca 0.34 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 58.18 3ek5 h LEU 123 Cb 0.55 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 3ek5 h LEU 123 CO -0.50 0.15 0.00 -1.84 -0.00 0.00 0.00 178.44 176.25 3ek5 n GLU 124 N -4.97 0.86 -0.02 1.13 0.28 0.35 -1.21 120.64 117.06 3ek5 n GLU 124 Ca -0.05 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.97 3ek5 n GLU 124 Cb 0.05 -1.32 0.02 0.00 1.43 0.00 0.00 31.44 31.62 3ek5 n GLU 124 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3ek5 n LYS 125 N -0.09 1.13 -0.69 3.44 5.02 -0.49 -4.99 118.16 121.50 3ek5 n LYS 125 Ca 0.00 -1.12 0.00 0.00 -2.02 0.00 0.00 58.31 55.17 3ek5 n LYS 125 Cb 0.16 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 3ek5 n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ek5 n GLY 126 N -0.07 0.66 3.90 0.72 0.00 -0.35 -5.06 105.19 104.99 3ek5 n GLY 126 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3ek5 n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ek5 s ARG 127 N -0.31 3.67 -0.22 1.61 0.52 -1.08 -4.72 118.95 118.42 3ek5 s ARG 127 Ca 0.00 0.11 -0.18 0.00 -0.52 0.00 0.00 55.73 55.14 3ek5 s ARG 127 Cb 0.00 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.85 3ek5 s ARG 127 CO 0.00 0.16 0.51 0.42 0.02 0.00 0.00 175.30 176.41 3ek5 s ILE 128 N -2.14 5.10 -0.12 1.52 -1.09 0.01 -4.44 121.20 120.04 3ek5 s ILE 128 Ca 0.46 0.91 -0.11 0.00 -2.23 0.00 0.00 60.65 59.68 3ek5 s ILE 128 Cb -0.11 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 3ek5 s ILE 128 CO 0.30 0.15 0.24 0.00 -1.23 0.00 0.00 174.94 174.40 3ek5 s ALA 129 N 1.84 3.71 -0.12 9.38 0.00 -0.57 -1.34 121.76 134.66 3ek5 s ALA 129 Ca 0.23 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.69 3ek5 s ALA 129 Cb -0.15 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 20.76 3ek5 s ALA 129 CO 0.09 0.33 -0.12 0.42 0.00 0.00 0.00 175.76 176.49 3ek5 s ILE 130 N -0.29 1.32 -0.06 0.00 1.01 -0.77 0.19 121.20 122.61 3ek5 s ILE 130 Ca 0.16 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 3ek5 s ILE 130 Cb -0.13 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 3ek5 s ILE 130 CO 0.05 0.41 -0.01 -0.36 0.00 0.00 0.00 174.94 175.03 3ek5 s PHE 131 N 1.43 3.10 0.07 3.97 0.08 -0.52 0.17 117.98 126.28 3ek5 s PHE 131 Ca 0.02 0.13 0.02 0.00 0.12 0.00 0.00 56.93 57.22 3ek5 s PHE 131 Cb -0.13 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 3ek5 s PHE 131 CO -0.07 0.44 -0.07 0.00 -0.10 0.00 0.00 175.22 175.42 3ek5 s ALA 132 N -0.93 0.79 -0.39 5.36 0.00 -0.73 -4.46 121.76 121.41 3ek5 s ALA 132 Ca 0.15 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3ek5 s ALA 132 Cb -0.11 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3ek5 s ALA 132 CO 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 175.76 175.64 3ek5 n ALA 133 N 0.54 -0.09 -0.85 0.00 0.00 -1.26 -0.69 120.51 118.15 3ek5 n ALA 133 Ca -0.16 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3ek5 n ALA 133 Cb 0.58 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3ek5 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek5 n GLY 134 N -1.72 3.20 0.42 0.00 0.00 -1.26 -0.71 105.19 105.13 3ek5 n GLY 134 Ca -0.04 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3ek5 n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ek5 n THR 135 N 0.00 0.12 -0.46 2.61 -2.24 -1.26 -4.63 114.28 108.41 3ek5 n THR 135 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3ek5 n THR 135 Cb 0.00 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 3ek5 n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ek5 n GLY 136 N 1.09 2.06 3.71 3.38 0.00 0.12 -4.99 105.19 110.55 3ek5 n GLY 136 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3ek5 n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ek5 s ASN 137 N -3.53 5.18 0.93 1.61 0.01 -1.26 -4.92 114.94 112.95 3ek5 s ASN 137 Ca 0.00 -0.09 -0.12 0.00 -0.71 0.00 0.00 52.86 51.94 3ek5 s ASN 137 Cb 0.00 -1.31 0.15 0.00 0.41 0.00 0.00 41.25 40.50 3ek5 s ASN 137 CO 0.00 0.20 1.14 -2.16 -1.51 0.00 0.00 177.10 174.77 3ek5 s PRO 138 N -2.12 1.02 -1.27 -0.60 0.04 -1.26 -3.85 135.00 126.96 3ek5 s PRO 138 Ca 0.25 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.57 3ek5 s PRO 138 Cb -0.12 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3ek5 s PRO 138 CO 0.17 -2.28 0.00 1.19 0.04 0.00 0.00 177.00 176.12 3ek5 n PHE 139 N -3.82 0.00 -4.84 0.56 3.72 -1.26 -4.98 117.46 106.84 3ek5 n PHE 139 Ca 0.07 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.20 3ek5 n PHE 139 Cb 0.59 -2.53 -0.16 0.00 -0.94 0.00 0.00 39.48 36.44 3ek5 n PHE 139 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3ek5 s PHE 140 N -2.21 1.73 0.76 1.38 0.08 -1.25 -5.14 117.98 113.33 3ek5 s PHE 140 Ca 0.00 -0.51 -0.09 0.00 0.12 0.00 0.00 56.93 56.45 3ek5 s PHE 140 Cb 0.00 -1.17 0.08 0.00 -0.57 0.00 0.00 43.02 41.35 3ek5 s PHE 140 CO 0.00 -0.18 1.09 0.95 -0.10 0.00 0.00 175.22 176.98 3ek5 s THR 141 N 0.08 2.15 0.31 0.64 -4.23 -1.26 -4.88 115.64 108.46 3ek5 s THR 141 Ca -0.05 -0.16 0.01 0.00 -1.18 0.00 0.00 61.69 60.31 3ek5 s THR 141 Cb -0.12 -2.99 0.28 0.00 1.34 0.00 0.00 72.50 71.01 3ek5 s THR 141 CO 0.02 0.00 1.93 0.74 -0.54 0.00 0.00 174.62 176.77 3ek5 h THR 142 N -0.82 1.08 -0.37 3.99 2.02 -2.00 -2.08 112.91 114.72 3ek5 h THR 142 Ca -0.45 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 3ek5 h THR 142 Cb 1.32 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 3ek5 h THR 142 CO 0.61 0.18 0.19 0.44 0.37 0.00 0.00 175.52 177.32 3ek5 h ASP 143 N 0.99 0.48 -0.73 4.18 3.32 -1.98 0.17 116.42 122.85 3ek5 h ASP 143 Ca 0.36 -0.11 0.10 0.00 0.02 0.00 0.00 57.03 57.40 3ek5 h ASP 143 Cb 0.15 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.51 3ek5 h ASP 143 CO -0.12 0.45 0.37 0.28 -1.72 0.00 0.00 179.24 178.49 3ek5 h SER 144 N 0.47 0.48 0.06 6.45 0.02 -1.73 0.61 113.55 119.92 3ek5 h SER 144 Ca 0.13 0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 3ek5 h SER 144 Cb 0.09 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3ek5 h SER 144 CO -0.02 0.27 -0.23 1.23 -1.14 0.00 0.00 176.83 176.94 3ek5 h GLY 145 N 0.62 0.32 1.01 -3.77 0.00 -1.03 0.02 103.07 100.23 3ek5 h GLY 145 Ca 0.36 -0.24 -0.20 0.00 0.00 0.00 0.00 47.33 47.25 3ek5 h GLY 145 CO -0.27 0.22 -0.75 0.00 0.00 0.00 0.00 176.54 175.74 3ek5 h ALA 146 N 1.49 0.16 -0.79 3.60 0.00 0.22 -2.35 119.26 121.59 3ek5 h ALA 146 Ca 0.04 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3ek5 h ALA 146 Cb 0.56 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3ek5 h ALA 146 CO 0.04 0.52 0.45 0.00 0.00 0.00 0.00 179.25 180.26 3ek5 h ALA 147 N 0.42 1.01 0.20 0.00 0.00 0.46 -1.12 119.26 120.24 3ek5 h ALA 147 Ca -0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ek5 h ALA 147 Cb 1.41 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3ek5 h ALA 147 CO 0.15 0.51 -0.14 1.25 0.00 0.00 0.00 179.25 181.02 3ek5 h LEU 148 N 1.09 -0.36 -1.30 0.00 6.46 -1.02 -0.65 115.31 119.53 3ek5 h LEU 148 Ca 0.28 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 58.01 3ek5 h LEU 148 Cb 0.01 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 3ek5 h LEU 148 CO -0.05 -0.23 -0.14 0.03 -0.62 0.00 0.00 178.44 177.44 3ek5 h ARG 149 N -0.35 0.30 -0.21 1.25 2.47 -1.21 -0.24 114.38 116.40 3ek5 h ARG 149 Ca -0.01 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.59 3ek5 h ARG 149 Cb 0.30 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 3ek5 h ARG 149 CO 0.00 0.45 -0.02 0.00 0.56 0.00 0.00 179.97 180.96 3ek5 h ALA 150 N 1.58 0.28 0.56 0.04 0.00 -0.79 -0.92 119.26 120.02 3ek5 h ALA 150 Ca 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3ek5 h ALA 150 Cb 0.43 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ek5 h ALA 150 CO 0.03 0.02 -0.27 0.82 0.00 0.00 0.00 179.25 179.85 3ek5 h ILE 151 N 0.13 0.37 -0.89 0.00 2.04 -0.70 -1.59 117.51 116.86 3ek5 h ILE 151 Ca 0.06 -0.27 0.23 0.00 1.00 0.00 0.00 64.86 65.88 3ek5 h ILE 151 Cb 0.43 0.46 -0.16 0.00 -0.74 0.00 0.00 36.82 36.82 3ek5 h ILE 151 CO 0.01 0.04 0.03 -0.33 0.00 0.00 0.00 178.15 177.90 3ek5 h GLU 152 N -0.94 0.06 -0.01 2.37 5.08 -0.98 0.20 114.58 120.37 3ek5 h GLU 152 Ca -0.08 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3ek5 h GLU 152 Cb 0.64 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3ek5 h GLU 152 CO 0.13 0.04 -0.04 0.44 -1.00 0.00 0.00 179.01 178.58 3ek5 n ILE 153 N -5.42 0.00 -3.39 3.13 -5.35 -0.36 -4.92 119.36 103.06 3ek5 n ILE 153 Ca 0.19 -0.18 -0.19 0.00 -0.27 0.00 0.00 62.75 62.29 3ek5 n ILE 153 Cb 0.63 0.30 0.07 0.00 -1.74 0.00 0.00 39.64 38.90 3ek5 n ILE 153 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ek5 n GLY 154 N 1.18 -0.30 3.75 3.28 0.00 0.71 -4.97 105.19 108.84 3ek5 n GLY 154 Ca 0.18 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 3ek5 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek5 s ALA 155 N -3.27 2.44 -0.64 4.61 0.00 -0.78 -4.91 121.76 119.21 3ek5 s ALA 155 Ca 0.41 0.95 0.25 0.00 0.00 0.00 0.00 51.96 53.56 3ek5 s ALA 155 Cb -0.18 -3.45 0.54 0.00 0.00 0.00 0.00 23.12 20.04 3ek5 s ALA 155 CO 0.61 -1.35 1.55 -0.44 0.00 0.00 0.00 175.76 176.14 3ek5 h ASP 156 N 0.53 0.00 -3.39 0.00 3.45 -0.59 -3.47 116.42 112.95 3ek5 h ASP 156 Ca -0.50 -0.08 -0.00 0.00 0.43 0.00 0.00 57.03 56.89 3ek5 h ASP 156 Cb 1.29 0.00 -0.21 0.00 -0.56 0.00 0.00 39.33 39.85 3ek5 h ASP 156 CO 0.54 0.04 0.09 -0.22 -1.57 0.00 0.00 179.24 178.11 3ek5 s LEU 157 N -4.66 -0.84 -0.30 1.55 2.96 -1.24 -4.63 118.68 111.52 3ek5 s LEU 157 Ca 0.08 1.45 -0.06 0.00 -0.22 0.00 0.00 54.13 55.38 3ek5 s LEU 157 Cb 0.12 2.39 0.01 0.00 0.50 0.00 0.00 46.19 49.21 3ek5 s LEU 157 CO 0.66 -0.24 0.08 -0.22 -1.32 0.00 0.00 176.35 175.31 3ek5 s LEU 158 N 1.09 3.89 -0.27 -0.68 2.96 0.09 -2.11 118.68 123.64 3ek5 s LEU 158 Ca -0.06 -0.79 -0.13 0.00 -0.22 0.00 0.00 54.13 52.94 3ek5 s LEU 158 Cb -0.05 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 3ek5 s LEU 158 CO -0.11 -0.21 0.27 -0.76 -1.32 0.00 0.00 176.35 174.22 3ek5 s LEU 159 N 1.47 4.04 -0.32 -0.68 1.43 -0.38 -0.76 118.68 123.48 3ek5 s LEU 159 Ca 0.02 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3ek5 s LEU 159 Cb -0.18 -2.27 0.06 0.00 0.03 0.00 0.00 46.19 43.84 3ek5 s LEU 159 CO 0.02 -0.10 0.04 -0.75 0.23 0.00 0.00 176.35 175.79 3ek5 s LYS 160 N 1.80 2.38 -0.22 1.70 2.20 0.16 -0.28 119.74 127.48 3ek5 s LYS 160 Ca 0.11 -1.34 -0.26 0.00 -0.36 0.00 0.00 55.97 54.12 3ek5 s LYS 160 Cb -0.16 -3.27 -0.00 0.00 -1.51 0.00 0.00 37.83 32.89 3ek5 s LYS 160 CO 0.10 -0.69 0.88 0.00 -0.36 0.00 0.00 175.35 175.28 3ek5 s ALA 161 N 1.25 3.62 0.18 3.13 0.00 -0.52 -2.59 121.76 126.82 3ek5 s ALA 161 Ca -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.94 3ek5 s ALA 161 Cb -0.20 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 3ek5 s ALA 161 CO -0.01 -0.88 0.08 0.25 0.00 0.00 0.00 175.76 175.20 3ek5 n THR 162 N 5.13 0.00 0.10 0.00 -2.24 0.01 -4.46 114.28 112.82 3ek5 n THR 162 Ca 0.07 -1.08 -0.04 0.00 -2.27 0.00 0.00 64.05 60.72 3ek5 n THR 162 Cb 0.47 0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 3ek5 n THR 162 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3ek5 h LYS 163 N 0.00 -0.26 -6.26 -0.78 1.57 -1.96 -3.38 116.57 105.49 3ek5 h LYS 163 Ca -0.13 0.02 -0.55 0.00 -1.87 0.00 0.00 60.65 58.11 3ek5 h LYS 163 Cb 0.55 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3ek5 h LYS 163 CO 0.21 -0.18 1.13 0.14 -0.57 0.00 0.00 179.45 180.18 3ek5 s VAL 164 N -2.78 3.56 -0.96 0.50 -7.23 -1.26 -4.68 120.40 107.54 3ek5 s VAL 164 Ca -0.04 0.66 -0.24 0.00 -1.81 0.00 0.00 61.98 60.55 3ek5 s VAL 164 Cb 0.00 -3.48 -0.05 0.00 0.56 0.00 0.00 36.38 33.42 3ek5 s VAL 164 CO 0.12 -0.12 1.91 -0.62 -0.31 0.00 0.00 175.10 176.08 3ek5 s ASP 165 N 3.90 5.22 0.00 4.85 2.15 -1.26 -4.52 116.67 127.01 3ek5 s ASP 165 Ca 0.75 -0.91 0.00 0.00 0.43 0.00 0.00 52.55 52.82 3ek5 s ASP 165 Cb -0.31 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.74 3ek5 s ASP 165 CO 0.30 -2.71 0.00 0.61 -0.17 0.00 0.00 175.17 173.20 3ek5 n GLY 166 N 6.66 -1.80 3.21 2.66 0.00 -1.23 -4.66 105.19 110.02 3ek5 n GLY 166 Ca 0.41 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.27 3ek5 n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek5 s VAL 167 N 0.00 1.63 0.11 1.61 1.01 -1.26 -4.87 120.40 118.63 3ek5 s VAL 167 Ca 0.00 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.22 3ek5 s VAL 167 Cb 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3ek5 s VAL 167 CO 0.00 0.46 -0.26 -0.31 0.00 0.00 0.00 175.10 175.00 3ek5 s TYR 168 N -0.33 2.19 0.02 5.22 1.51 -1.26 -1.90 117.35 122.80 3ek5 s TYR 168 Ca 0.04 -0.39 -0.08 0.00 -1.01 0.00 0.00 57.07 55.63 3ek5 s TYR 168 Cb -0.09 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 3ek5 s TYR 168 CO 0.00 0.28 1.13 0.38 -1.11 0.00 0.00 175.55 176.23 3ek5 h ASP 169 N 4.08 -0.35 -3.46 2.29 -0.00 -1.93 -3.43 116.42 113.61 3ek5 h ASP 169 Ca -0.49 0.03 -0.51 0.00 -0.00 0.00 0.00 57.03 56.06 3ek5 h ASP 169 Cb 1.17 0.12 -0.00 0.00 -0.00 0.00 0.00 39.33 40.62 3ek5 h ASP 169 CO 0.40 -0.14 -0.01 -0.54 -0.00 0.00 0.00 179.24 178.95 3ek5 s LYS 170 N -3.64 3.71 0.09 4.15 1.02 -1.26 -5.01 119.74 118.80 3ek5 s LYS 170 Ca -0.04 0.25 -0.31 0.00 0.02 0.00 0.00 55.97 55.90 3ek5 s LYS 170 Cb 0.01 -2.51 -0.10 0.00 -0.52 0.00 0.00 37.83 34.71 3ek5 s LYS 170 CO 0.14 0.09 1.87 0.34 -0.92 0.00 0.00 175.35 176.87 3ek5 s ASP 171 N -3.14 6.44 0.59 2.83 3.68 -1.26 -4.70 116.67 121.10 3ek5 s ASP 171 Ca 0.48 2.72 0.38 0.00 2.13 0.00 0.00 52.55 58.25 3ek5 s ASP 171 Cb -0.10 -2.55 1.79 0.00 -1.45 0.00 0.00 42.92 40.61 3ek5 s ASP 171 CO 0.30 -1.02 2.13 -0.65 0.13 0.00 0.00 175.17 176.06 3ek5 h PRO 172 N 9.32 0.00 -0.05 4.34 0.11 -1.93 -1.16 132.00 142.63 3ek5 h PRO 172 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ek5 h PRO 172 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ek5 h PRO 172 CO 0.95 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 179.10 3ek5 n LYS 173 N -3.04 2.10 -0.11 1.05 2.85 -1.26 -4.25 118.16 115.50 3ek5 n LYS 173 Ca -0.01 -1.61 -0.18 0.00 -1.05 0.00 0.00 58.31 55.46 3ek5 n LYS 173 Cb 0.20 -1.47 -0.09 0.00 -0.65 0.00 0.00 35.03 33.02 3ek5 n LYS 173 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3ek5 n LYS 174 N 0.94 0.52 -5.27 -1.58 4.81 -0.61 -4.99 118.16 111.98 3ek5 n LYS 174 Ca 0.16 0.15 -0.31 0.00 -0.87 0.00 0.00 58.31 57.44 3ek5 n LYS 174 Cb 0.51 -1.39 -0.16 0.00 0.02 0.00 0.00 35.03 34.01 3ek5 n LYS 174 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 3ek5 s HIS 175 N -2.43 2.38 -0.52 5.64 3.76 -0.54 -4.99 115.29 118.60 3ek5 s HIS 175 Ca -0.30 -0.49 0.26 0.00 -0.15 0.00 0.00 55.06 54.38 3ek5 s HIS 175 Cb 0.09 -1.53 0.75 0.00 1.11 0.00 0.00 32.58 32.99 3ek5 s HIS 175 CO 0.47 -0.07 1.74 0.66 -0.85 0.00 0.00 174.74 176.69 3ek5 h SER 176 N 5.62 0.00 -0.47 1.40 4.64 -1.87 -3.17 113.55 119.69 3ek5 h SER 176 Ca -0.41 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.88 3ek5 h SER 176 Cb 1.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 3ek5 h SER 176 CO 0.47 0.00 0.04 -0.90 -0.87 0.00 0.00 176.83 175.57 3ek5 n ASP 177 N -2.60 4.61 -4.70 4.97 5.75 -1.26 -4.92 116.55 118.40 3ek5 n ASP 177 Ca 0.04 -2.77 -0.42 0.00 -0.01 0.00 0.00 54.79 51.63 3ek5 n ASP 177 Cb 0.42 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 39.83 3ek5 n ASP 177 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ek5 s ALA 178 N -2.39 3.80 -0.15 2.12 0.00 -1.20 -4.93 121.76 119.02 3ek5 s ALA 178 Ca 0.43 1.44 -0.06 0.00 0.00 0.00 0.00 51.96 53.77 3ek5 s ALA 178 Cb 0.33 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 3ek5 s ALA 178 CO 0.12 -1.08 0.06 0.08 0.00 0.00 0.00 175.76 174.94 3ek5 s VAL 179 N 2.13 4.77 -0.23 0.00 1.01 -1.26 -5.02 120.40 121.80 3ek5 s VAL 179 Ca 0.77 -0.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.53 3ek5 s VAL 179 Cb -0.46 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3ek5 s VAL 179 CO 0.34 0.53 0.43 -0.60 0.00 0.00 0.00 175.10 175.80 3ek5 s ARG 180 N -0.21 4.13 0.46 2.72 3.52 -1.26 -2.93 118.95 125.38 3ek5 s ARG 180 Ca 0.08 0.22 -0.22 0.00 -0.13 0.00 0.00 55.73 55.68 3ek5 s ARG 180 Cb -0.12 -3.58 -0.08 0.00 -1.56 0.00 0.00 34.95 29.60 3ek5 s ARG 180 CO 0.01 -0.16 1.07 0.71 -0.81 0.00 0.00 175.30 176.13 3ek5 s TYR 181 N 1.69 3.02 0.04 5.12 4.12 -0.80 -4.97 117.35 125.58 3ek5 s TYR 181 Ca 0.19 1.59 -0.08 0.00 0.02 0.00 0.00 57.07 58.79 3ek5 s TYR 181 Cb -0.15 -3.16 -0.31 0.00 -1.52 0.00 0.00 41.96 36.82 3ek5 s TYR 181 CO 0.09 -0.96 1.03 -0.44 0.02 0.00 0.00 175.55 175.29 3ek5 h ASP 182 N 1.88 0.58 -5.14 2.29 3.32 -1.91 -3.39 116.42 114.05 3ek5 h ASP 182 Ca -0.49 -0.65 -0.01 0.00 0.02 0.00 0.00 57.03 55.91 3ek5 h ASP 182 Cb 1.23 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.52 3ek5 h ASP 182 CO 0.60 1.51 0.04 -0.94 -1.72 0.00 0.00 179.24 178.73 3ek5 s SER 183 N -7.29 -0.14 -0.16 6.45 1.04 -1.26 -1.94 113.70 110.41 3ek5 s SER 183 Ca -0.07 -0.81 -0.30 0.00 0.48 0.00 0.00 55.95 55.24 3ek5 s SER 183 Cb 0.06 0.66 0.13 0.00 0.10 0.00 0.00 66.02 66.97 3ek5 s SER 183 CO 0.90 -1.25 1.05 -0.22 0.98 0.00 0.00 173.24 174.71 3ek5 s LEU 184 N -2.98 -0.30 0.19 2.42 2.96 -0.15 -4.90 118.68 115.92 3ek5 s LEU 184 Ca 0.18 0.26 0.05 0.00 -0.22 0.00 0.00 54.13 54.39 3ek5 s LEU 184 Cb -0.03 1.73 -0.04 0.00 0.50 0.00 0.00 46.19 48.36 3ek5 s LEU 184 CO 0.08 -0.33 0.23 0.42 -1.32 0.00 0.00 176.35 175.44 3ek5 s THR 185 N -1.48 4.87 0.29 3.68 -4.23 -1.26 -1.57 115.64 115.94 3ek5 s THR 185 Ca 0.02 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.55 3ek5 s THR 185 Cb -0.01 -3.56 0.28 0.00 1.34 0.00 0.00 72.50 70.56 3ek5 s THR 185 CO -0.02 -0.19 1.72 1.88 -0.54 0.00 0.00 174.62 177.47 3ek5 h TYR 186 N 1.91 0.78 0.48 3.99 -1.99 -1.62 -0.21 116.97 120.31 3ek5 h TYR 186 Ca -0.49 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.26 3ek5 h TYR 186 Cb 1.21 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.75 3ek5 h TYR 186 CO 0.54 0.05 -0.23 -0.44 -0.00 0.00 0.00 178.16 178.07 3ek5 h ASP 187 N 0.51 -0.54 -1.07 3.88 3.45 -1.84 -1.25 116.42 119.55 3ek5 h ASP 187 Ca 0.55 -0.04 0.30 0.00 0.43 0.00 0.00 57.03 58.28 3ek5 h ASP 187 Cb 0.98 0.14 -0.12 0.00 -0.56 0.00 0.00 39.33 39.78 3ek5 h ASP 187 CO -0.47 -0.30 0.66 -0.33 -1.57 0.00 0.00 179.24 177.24 3ek5 h GLU 188 N -0.76 0.35 0.15 3.56 5.08 -1.40 0.38 114.58 121.94 3ek5 h GLU 188 Ca -0.07 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3ek5 h GLU 188 Cb 0.55 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3ek5 h GLU 188 CO 0.11 0.23 -0.07 0.28 -1.00 0.00 0.00 179.01 178.56 3ek5 h VAL 189 N 0.36 0.97 -0.14 3.13 2.07 -0.82 -2.03 116.25 119.80 3ek5 h VAL 189 Ca 0.68 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 67.20 3ek5 h VAL 189 Cb 1.68 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 32.94 3ek5 h VAL 189 CO -0.42 0.22 -0.46 0.40 0.02 0.00 0.00 177.57 177.33 3ek5 h ILE 190 N -0.74 0.10 -0.35 4.57 1.08 -0.11 -1.37 117.51 120.68 3ek5 h ILE 190 Ca -0.02 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.50 3ek5 h ILE 190 Cb 0.52 0.10 -0.04 0.00 -3.07 0.00 0.00 36.82 34.33 3ek5 h ILE 190 CO 0.03 0.00 0.09 -0.03 -0.69 0.00 0.00 178.15 177.55 3ek5 h MET 191 N -0.52 0.21 0.00 2.37 4.05 -0.37 0.22 114.93 120.90 3ek5 h MET 191 Ca 0.07 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3ek5 h MET 191 Cb 0.65 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 3ek5 h MET 191 CO -0.42 0.14 0.00 1.04 0.23 0.00 0.00 176.91 177.91 3ek5 n GLN 192 N -5.06 0.62 -3.89 0.39 6.02 -0.76 -4.86 117.38 109.83 3ek5 n GLN 192 Ca 0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.72 3ek5 n GLN 192 Cb 0.14 -1.44 0.02 0.00 1.02 0.00 0.00 30.24 29.98 3ek5 n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ek5 n GLY 193 N 0.23 -0.41 3.90 1.08 0.00 0.78 -4.97 105.19 105.80 3ek5 n GLY 193 Ca 0.13 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 3ek5 n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ek5 s LEU 194 N -7.09 4.30 -0.19 0.99 1.43 -0.68 -5.05 118.68 112.40 3ek5 s LEU 194 Ca 0.43 0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 54.04 3ek5 s LEU 194 Cb -0.22 -3.13 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 3ek5 s LEU 194 CO 0.84 0.11 -0.07 -0.70 0.23 0.00 0.00 176.35 176.77 3ek5 s GLU 195 N -2.45 3.39 0.00 1.70 2.12 -1.26 -4.67 118.70 117.53 3ek5 s GLU 195 Ca 0.37 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 55.07 3ek5 s GLU 195 Cb -0.13 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.36 3ek5 s GLU 195 CO 0.24 -0.06 0.00 1.33 -0.54 0.00 0.00 175.26 176.22 3ek5 n VAL 196 N 4.39 0.00 -3.91 3.70 0.24 -1.26 -5.07 118.33 116.42 3ek5 n VAL 196 Ca -0.18 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.02 3ek5 n VAL 196 Cb 0.51 -0.78 -0.06 0.00 -1.47 0.00 0.00 33.84 32.04 3ek5 n VAL 196 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3ek5 s MET 197 N -1.85 1.22 0.88 7.34 -1.94 -1.26 -5.08 119.30 118.60 3ek5 s MET 197 Ca 0.00 -1.10 -0.11 0.00 -1.71 0.00 0.00 55.69 52.77 3ek5 s MET 197 Cb 0.00 0.41 0.12 0.00 2.01 0.00 0.00 34.83 37.38 3ek5 s MET 197 CO 0.00 -0.47 1.15 0.16 -0.01 0.00 0.00 175.02 175.85 3ek5 s ASP 198 N -2.95 3.24 0.13 3.03 -4.77 -1.26 -4.64 116.67 109.45 3ek5 s ASP 198 Ca 0.15 2.17 -0.32 0.00 -3.30 0.00 0.00 52.55 51.25 3ek5 s ASP 198 Cb 0.02 -2.56 -0.10 0.00 -1.09 0.00 0.00 42.92 39.19 3ek5 s ASP 198 CO -0.00 -2.89 1.55 0.74 0.70 0.00 0.00 175.17 175.26 3ek5 h THR 199 N -1.61 0.01 -0.07 2.11 2.02 -2.01 -0.07 112.91 113.29 3ek5 h THR 199 Ca -0.44 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.77 3ek5 h THR 199 Cb 1.27 0.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.63 3ek5 h THR 199 CO 0.44 0.00 -0.53 0.00 0.37 0.00 0.00 175.52 175.80 3ek5 h ALA 200 N -0.02 -0.89 -0.65 6.16 0.00 -1.99 0.25 119.26 122.12 3ek5 h ALA 200 Ca 0.08 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3ek5 h ALA 200 Cb 0.61 0.96 -0.07 0.00 0.00 0.00 0.00 17.79 19.29 3ek5 h ALA 200 CO -0.58 -1.09 0.27 0.00 0.00 0.00 0.00 179.25 177.86 3ek5 h ALA 201 N -0.31 0.86 -0.36 0.00 0.00 -1.87 0.55 119.26 118.14 3ek5 h ALA 201 Ca 0.03 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3ek5 h ALA 201 Cb 0.70 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3ek5 h ALA 201 CO -0.40 -0.14 -0.12 0.35 0.00 0.00 0.00 179.25 178.94 3ek5 h PHE 202 N 0.48 0.68 -0.40 0.00 3.57 -0.29 -2.51 116.94 118.46 3ek5 h PHE 202 Ca 0.32 -0.12 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 3ek5 h PHE 202 Cb 0.38 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3ek5 h PHE 202 CO -0.15 0.72 -0.22 0.00 -2.23 0.00 0.00 178.31 176.44 3ek5 h ALA 203 N 1.29 0.57 -0.38 2.41 0.00 0.15 -1.26 119.26 122.05 3ek5 h ALA 203 Ca 0.10 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.68 3ek5 h ALA 203 Cb 0.55 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3ek5 h ALA 203 CO 0.03 0.54 0.11 1.25 0.00 0.00 0.00 179.25 181.19 3ek5 h LEU 204 N 0.67 0.10 -1.07 0.00 6.46 -0.62 0.85 115.31 121.70 3ek5 h LEU 204 Ca 0.09 0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 57.80 3ek5 h LEU 204 Cb 0.78 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 3ek5 h LEU 204 CO 0.06 0.09 -0.43 0.00 -0.62 0.00 0.00 178.44 177.54 3ek5 h ALA 205 N 1.26 1.16 -0.22 1.25 0.00 -1.43 -2.53 119.26 118.73 3ek5 h ALA 205 Ca 0.18 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3ek5 h ALA 205 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ek5 h ALA 205 CO -0.20 0.54 -0.15 -0.09 0.00 0.00 0.00 179.25 179.35 3ek5 h ARG 206 N 0.00 0.38 0.00 0.00 2.43 0.33 -0.56 114.38 116.96 3ek5 h ARG 206 Ca -0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3ek5 h ARG 206 Cb 0.83 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3ek5 h ARG 206 CO 0.06 0.53 0.00 -0.25 -1.51 0.00 0.00 179.97 178.79 3ek5 n ASP 207 N -4.21 0.78 -0.48 -3.80 10.43 -0.21 -3.25 116.55 115.81 3ek5 n ASP 207 Ca -0.00 0.59 0.07 0.00 2.57 0.00 0.00 54.79 58.01 3ek5 n ASP 207 Cb 0.31 -0.79 0.16 0.00 1.84 0.00 0.00 41.12 42.64 3ek5 n ASP 207 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3ek5 n SER 208 N -2.24 2.96 -4.28 -2.24 7.64 -0.97 -4.97 113.62 109.51 3ek5 n SER 208 Ca 0.05 -2.63 -0.36 0.00 1.01 0.00 0.00 58.87 56.94 3ek5 n SER 208 Cb 0.40 -0.35 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 3ek5 n SER 208 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3ek5 n ASP 209 N -0.51 -2.10 -4.64 6.43 4.64 -0.49 -4.78 116.55 115.10 3ek5 n ASP 209 Ca 0.14 -1.10 -0.42 0.00 -1.38 0.00 0.00 54.79 52.03 3ek5 n ASP 209 Cb 0.61 -2.39 -0.03 0.00 -1.04 0.00 0.00 41.12 38.27 3ek5 n ASP 209 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3ek5 s LEU 210 N -7.24 4.13 -0.42 -2.67 2.96 -0.34 -4.80 118.68 110.31 3ek5 s LEU 210 Ca 0.59 2.15 -0.27 0.00 -0.22 0.00 0.00 54.13 56.38 3ek5 s LEU 210 Cb -0.33 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.78 3ek5 s LEU 210 CO 0.96 -1.18 2.21 -2.84 -1.32 0.00 0.00 176.35 174.17 3ek5 s PRO 211 N 4.62 2.59 0.28 0.98 0.02 -1.26 -4.76 135.00 137.46 3ek5 s PRO 211 Ca 0.80 1.45 -0.11 0.00 0.02 0.00 0.00 61.00 63.17 3ek5 s PRO 211 Cb -0.34 -4.46 -0.07 0.00 0.02 0.00 0.00 34.50 29.65 3ek5 s PRO 211 CO 0.33 -2.73 0.62 -0.51 -0.33 0.00 0.00 177.00 174.39 3ek5 s LEU 212 N 10.12 4.10 -0.16 -5.54 1.02 0.07 -0.73 118.68 127.56 3ek5 s LEU 212 Ca 0.92 1.03 -0.05 0.00 0.02 0.00 0.00 54.13 56.05 3ek5 s LEU 212 Cb -0.21 -3.82 0.06 0.00 0.02 0.00 0.00 46.19 42.24 3ek5 s LEU 212 CO 0.28 -0.15 0.10 -0.60 0.02 0.00 0.00 176.35 176.00 3ek5 s ARG 213 N -3.03 0.05 -0.16 1.70 6.06 0.06 -0.35 118.95 123.29 3ek5 s ARG 213 Ca 0.49 -0.00 -0.15 0.00 -2.50 0.00 0.00 55.73 53.58 3ek5 s ARG 213 Cb -0.11 -1.62 -0.05 0.00 0.06 0.00 0.00 34.95 33.24 3ek5 s ARG 213 CO 0.22 -0.63 0.33 0.42 -2.50 0.00 0.00 175.30 173.14 3ek5 s ILE 214 N 2.16 5.28 0.27 4.11 -1.09 -0.50 -0.67 121.20 130.77 3ek5 s ILE 214 Ca 0.03 0.62 -0.21 0.00 -2.23 0.00 0.00 60.65 58.86 3ek5 s ILE 214 Cb -0.15 -3.67 0.03 0.00 -1.58 0.00 0.00 42.46 37.09 3ek5 s ILE 214 CO -0.09 0.37 0.78 0.72 -1.23 0.00 0.00 174.94 175.50 3ek5 s PHE 215 N 0.54 -0.13 -0.14 3.97 -0.12 -1.07 -0.48 117.98 120.55 3ek5 s PHE 215 Ca 0.18 -0.33 -0.01 0.00 -0.05 0.00 0.00 56.93 56.72 3ek5 s PHE 215 Cb -0.13 0.71 -0.02 0.00 -0.63 0.00 0.00 43.02 42.96 3ek5 s PHE 215 CO 0.05 -1.20 -0.11 0.20 -0.05 0.00 0.00 175.22 174.11 3ek5 s GLY 216 N -2.96 1.57 -0.52 1.99 0.00 -1.26 -0.81 107.32 105.34 3ek5 s GLY 216 Ca 0.12 -0.90 -0.03 0.00 0.00 0.00 0.00 44.72 43.91 3ek5 s GLY 216 CO 0.07 -0.12 2.64 1.03 0.00 0.00 0.00 173.10 176.71 3ek5 n MET 217 N 3.62 2.45 0.03 2.90 2.81 -1.26 -4.74 117.12 122.94 3ek5 n MET 217 Ca -0.18 -2.53 -0.02 0.00 -1.81 0.00 0.00 57.70 53.16 3ek5 n MET 217 Cb 0.52 -2.16 -0.01 0.00 -0.71 0.00 0.00 33.22 30.87 3ek5 n MET 217 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3ek5 h SER 218 N 2.97 -0.16 -3.45 7.83 4.64 -1.95 -3.46 113.55 119.97 3ek5 h SER 218 Ca 0.42 0.01 -0.66 0.00 -0.47 0.00 0.00 61.79 61.10 3ek5 h SER 218 Cb 0.61 0.05 -0.15 0.00 -0.31 0.00 0.00 62.40 62.60 3ek5 h SER 218 CO 0.97 -0.08 -0.72 -1.83 -0.87 0.00 0.00 176.83 174.31 3ek5 s GLU 219 N -3.32 2.22 1.07 4.77 -1.05 -1.26 -5.11 118.70 116.03 3ek5 s GLU 219 Ca -0.02 -1.00 -0.14 0.00 -0.15 0.00 0.00 54.97 53.66 3ek5 s GLU 219 Cb 0.00 -2.35 0.17 0.00 -0.44 0.00 0.00 34.13 31.51 3ek5 s GLU 219 CO 0.07 0.51 0.64 -0.35 0.95 0.00 0.00 175.26 177.07 3ek5 n PRO 220 N 0.59 -1.47 0.00 -4.83 -0.04 -1.26 -3.28 135.00 124.71 3ek5 n PRO 220 Ca -0.13 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 3ek5 n PRO 220 Cb 0.52 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 3ek5 n PRO 220 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ek5 n GLY 221 N 1.26 2.69 0.37 0.55 0.00 -1.26 -4.87 105.19 103.94 3ek5 n GLY 221 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 3ek5 n GLY 221 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ek5 h VAL 222 N 0.00 1.21 -0.54 1.61 2.07 -1.98 0.67 116.25 119.30 3ek5 h VAL 222 Ca 0.00 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.14 3ek5 h VAL 222 Cb 0.00 -0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 29.55 3ek5 h VAL 222 CO 0.00 0.23 0.26 0.25 0.02 0.00 0.00 177.57 178.33 3ek5 h LEU 223 N 1.27 0.36 -0.60 2.57 5.85 -1.89 -2.11 115.31 120.76 3ek5 h LEU 223 Ca 0.37 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 59.01 3ek5 h LEU 223 Cb -0.08 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3ek5 h LEU 223 CO -0.10 0.24 -0.11 0.25 -0.34 0.00 0.00 178.44 178.38 3ek5 h LEU 224 N 0.50 0.99 -0.65 2.25 6.46 -1.23 -2.71 115.31 120.93 3ek5 h LEU 224 Ca 0.24 -0.32 0.04 0.00 -0.12 0.00 0.00 57.88 57.72 3ek5 h LEU 224 Cb 0.18 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 39.79 3ek5 h LEU 224 CO -0.18 1.10 0.39 0.03 -0.62 0.00 0.00 178.44 179.16 3ek5 h ARG 225 N 0.88 0.73 -0.71 1.25 3.08 -1.12 -2.45 114.38 116.04 3ek5 h ARG 225 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3ek5 h ARG 225 Cb 0.67 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3ek5 h ARG 225 CO 0.05 0.48 0.45 0.82 -1.07 0.00 0.00 179.97 180.70 3ek5 h ILE 226 N 0.75 1.19 0.00 2.04 2.04 -1.11 -1.23 117.51 121.19 3ek5 h ILE 226 Ca 0.27 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3ek5 h ILE 226 Cb 0.08 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3ek5 h ILE 226 CO -0.13 0.19 0.00 -0.07 0.00 0.00 0.00 178.15 178.14 3ek5 h LEU 227 N 0.96 0.00 0.00 1.44 3.38 -1.14 -1.45 115.31 118.50 3ek5 h LEU 227 Ca 0.26 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 3ek5 h LEU 227 Cb -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3ek5 h LEU 227 CO -0.05 0.00 -1.08 0.45 0.09 0.00 0.00 178.44 177.85 3ek5 h HIS 228 N 0.00 0.00 0.00 1.13 3.86 -1.02 0.19 115.15 119.31 3ek5 h HIS 228 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ek5 h HIS 228 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 3ek5 h HIS 228 CO 0.00 0.54 0.00 0.41 0.86 0.00 0.00 177.93 179.74 3ek5 n GLY 229 N 1.33 -0.23 3.68 2.45 0.00 -0.55 -4.34 105.19 107.52 3ek5 n GLY 229 Ca -0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 3ek5 n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek5 n ALA 230 N 0.00 1.46 -1.37 4.61 0.00 -0.65 -4.83 120.51 119.73 3ek5 n ALA 230 Ca 0.00 0.43 -0.38 0.00 0.00 0.00 0.00 53.44 53.49 3ek5 n ALA 230 Cb 0.00 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.08 3ek5 n ALA 230 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ek5 n GLN 231 N 3.15 3.18 -3.94 0.00 1.13 -1.26 -4.69 117.38 114.94 3ek5 n GLN 231 Ca 0.16 -2.23 -0.32 0.00 -1.94 0.00 0.00 57.00 52.67 3ek5 n GLN 231 Cb 0.30 -2.92 -0.05 0.00 0.11 0.00 0.00 30.24 27.68 3ek5 n GLN 231 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ek5 s ILE 232 N 2.75 5.27 0.00 5.09 1.01 -1.26 -4.96 121.20 129.09 3ek5 s ILE 232 Ca 0.59 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.89 3ek5 s ILE 232 Cb 0.16 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 39.11 3ek5 s ILE 232 CO -0.06 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.71 3ek5 n GLY 233 N 0.59 2.07 2.89 6.18 0.00 -1.26 -4.61 105.19 111.04 3ek5 n GLY 233 Ca -0.08 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 3ek5 n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ek5 s THR 234 N 0.00 0.76 0.06 2.61 2.01 0.37 -4.59 115.64 116.86 3ek5 s THR 234 Ca 0.00 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 3ek5 s THR 234 Cb 0.00 -0.80 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 3ek5 s THR 234 CO 0.00 0.30 1.09 -0.22 -0.69 0.00 0.00 174.62 175.10 3ek5 s LEU 235 N 1.40 4.40 -0.19 4.42 0.20 -0.82 -1.41 118.68 126.68 3ek5 s LEU 235 Ca -0.02 1.89 0.00 0.00 0.69 0.00 0.00 54.13 56.68 3ek5 s LEU 235 Cb -0.13 -3.58 0.02 0.00 -0.43 0.00 0.00 46.19 42.06 3ek5 s LEU 235 CO -0.03 -0.33 -0.16 -0.69 -0.29 0.00 0.00 176.35 174.84 3ek5 s VAL 236 N 0.79 2.35 -0.28 1.68 1.01 0.52 -0.98 120.40 125.49 3ek5 s VAL 236 Ca 0.54 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 3ek5 s VAL 236 Cb -0.26 -2.03 0.12 0.00 0.00 0.00 0.00 36.38 34.21 3ek5 s VAL 236 CO 0.30 0.48 0.98 -1.58 0.00 0.00 0.00 175.10 175.27 3ek5 s GLN 237 N 1.32 0.53 0.00 2.72 0.74 -0.61 -0.75 119.66 123.61 3ek5 s GLN 237 Ca 0.04 0.67 0.00 0.00 0.05 0.00 0.00 55.36 56.12 3ek5 s GLN 237 Cb -0.14 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.20 3ek5 s GLN 237 CO -0.10 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 174.98 3ek5 n GLY 238 N 2.56 2.81 1.10 2.59 0.00 -1.26 -4.19 105.19 108.80 3ek5 n GLY 238 Ca -0.14 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.29 3ek5 n GLY 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ek5 n ARG 239 N 0.79 2.75 0.00 1.61 5.12 -1.26 -1.94 116.66 123.73 3ek5 n ARG 239 Ca 0.00 -1.55 0.14 0.00 -1.93 0.00 0.00 57.85 54.51 3ek5 n ARG 239 Cb 0.00 -1.76 0.62 0.00 -1.16 0.00 0.00 32.46 30.16 3ek5 n ARG 239 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13