#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 1.07 -3.43 -1.46 -0.58 -1.26 -5.12 120.64 109.86 3ek5 n GLU 3 Ca 0.00 -3.69 -0.37 0.00 -0.42 0.00 0.00 57.16 52.68 3ek5 n GLU 3 Cb 0.00 -1.73 -0.06 0.00 -0.57 0.00 0.00 31.44 29.08 3ek5 n GLU 3 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3ek5 s LEU 4 N -1.08 4.43 0.00 -4.62 2.01 -1.26 -4.71 118.68 113.45 3ek5 s LEU 4 Ca 0.34 1.02 0.25 0.00 0.01 0.00 0.00 54.13 55.75 3ek5 s LEU 4 Cb 0.09 -2.87 0.47 0.00 0.01 0.00 0.00 46.19 43.89 3ek5 s LEU 4 CO -0.13 0.24 1.39 -1.20 1.01 0.00 0.00 176.35 177.66 3ek5 n SER 5 N 1.41 0.55 -3.62 2.29 7.64 0.71 -4.76 113.62 117.84 3ek5 n SER 5 Ca -0.10 -0.32 -0.16 0.00 1.01 0.00 0.00 58.87 59.30 3ek5 n SER 5 Cb 0.52 0.29 -0.14 0.00 -1.01 0.00 0.00 64.21 63.87 3ek5 n SER 5 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3ek5 s TYR 6 N -2.98 -0.27 -0.04 1.43 2.02 -1.26 -5.07 117.35 111.18 3ek5 s TYR 6 Ca 0.11 0.61 -0.23 0.00 -0.37 0.00 0.00 57.07 57.19 3ek5 s TYR 6 Cb 0.17 -0.22 -0.24 0.00 -0.40 0.00 0.00 41.96 41.27 3ek5 s TYR 6 CO 0.70 -0.38 1.02 0.00 -1.57 0.00 0.00 175.55 175.32 3ek5 h ARG 7 N 8.33 0.23 -4.66 -0.62 2.47 -1.95 -3.45 114.38 114.73 3ek5 h ARG 7 Ca -0.14 -0.26 -0.57 0.00 -1.26 0.00 0.00 59.98 57.75 3ek5 h ARG 7 Cb 1.12 0.08 -0.35 0.00 -1.65 0.00 0.00 29.97 29.17 3ek5 h ARG 7 CO 0.17 0.99 -0.83 0.50 0.56 0.00 0.00 179.97 181.37 3ek5 s ARG 8 N -3.03 2.07 0.20 0.04 3.52 -1.26 -2.10 118.95 118.39 3ek5 s ARG 8 Ca -0.15 -0.51 0.05 0.00 -0.13 0.00 0.00 55.73 54.99 3ek5 s ARG 8 Cb 0.01 -1.79 -0.05 0.00 -1.56 0.00 0.00 34.95 31.57 3ek5 s ARG 8 CO 0.76 -0.07 -0.07 0.96 -0.81 0.00 0.00 175.30 176.07 3ek5 s ILE 9 N 1.02 1.27 -0.12 4.11 -4.36 -0.59 0.02 121.20 122.55 3ek5 s ILE 9 Ca -0.06 -2.08 -0.01 0.00 -0.26 0.00 0.00 60.65 58.23 3ek5 s ILE 9 Cb -0.15 -2.09 0.03 0.00 1.25 0.00 0.00 42.46 41.50 3ek5 s ILE 9 CO -0.02 -0.55 -0.04 -0.22 0.24 0.00 0.00 174.94 174.36 3ek5 s LEU 10 N -3.26 1.16 -0.24 0.37 0.20 -0.78 -0.58 118.68 115.54 3ek5 s LEU 10 Ca 0.23 -0.39 -0.09 0.00 0.69 0.00 0.00 54.13 54.57 3ek5 s LEU 10 Cb 0.03 -0.75 -0.04 0.00 -0.43 0.00 0.00 46.19 45.00 3ek5 s LEU 10 CO 0.05 -0.17 0.11 -0.22 -0.29 0.00 0.00 176.35 175.84 3ek5 s LEU 11 N 1.76 3.80 -0.05 -0.68 2.96 0.29 -0.60 118.68 126.16 3ek5 s LEU 11 Ca 0.03 -0.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 3ek5 s LEU 11 Cb -0.14 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3ek5 s LEU 11 CO -0.07 0.03 -0.16 -0.75 -1.32 0.00 0.00 176.35 174.08 3ek5 s LYS 12 N 1.24 2.51 0.02 1.98 2.36 -0.29 -0.93 119.74 126.62 3ek5 s LYS 12 Ca 0.06 -0.73 -0.00 0.00 -2.55 0.00 0.00 55.97 52.75 3ek5 s LYS 12 Cb -0.14 -2.35 -0.02 0.00 -1.05 0.00 0.00 37.83 34.27 3ek5 s LYS 12 CO 0.05 0.59 -0.03 -0.51 1.55 0.00 0.00 175.35 177.00 3ek5 s LEU 13 N -0.64 2.27 0.46 5.43 1.02 0.23 -2.46 118.68 124.98 3ek5 s LEU 13 Ca 0.10 -0.56 0.15 0.00 0.02 0.00 0.00 54.13 53.84 3ek5 s LEU 13 Cb -0.11 0.11 1.04 0.00 0.02 0.00 0.00 46.19 47.25 3ek5 s LEU 13 CO 0.01 -0.33 2.01 0.77 0.02 0.00 0.00 176.35 178.82 3ek5 h SER 14 N 4.47 0.00 0.00 2.29 4.64 -1.87 0.96 113.55 124.04 3ek5 h SER 14 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3ek5 h SER 14 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3ek5 h SER 14 CO 0.44 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 3ek5 n GLY 15 N -1.02 2.52 0.37 -0.77 0.00 -1.26 -3.33 105.19 101.70 3ek5 n GLY 15 Ca -0.02 -0.25 0.15 0.00 0.00 0.00 0.00 46.02 45.90 3ek5 n GLY 15 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ek5 h GLU 16 N 0.00 0.63 -0.12 1.61 5.08 -1.87 0.23 114.58 120.14 3ek5 h GLU 16 Ca 0.00 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3ek5 h GLU 16 Cb 0.00 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3ek5 h GLU 16 CO 0.00 0.42 0.17 0.00 -1.00 0.00 0.00 179.01 178.60 3ek5 h ALA 17 N 1.63 1.63 -0.38 3.43 0.00 -1.94 0.06 119.26 123.69 3ek5 h ALA 17 Ca 0.54 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.29 3ek5 h ALA 17 Cb 0.99 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3ek5 h ALA 17 CO -0.31 -0.24 -0.38 -0.07 0.00 0.00 0.00 179.25 178.26 3ek5 h LEU 18 N 0.00 0.96 -0.90 0.00 3.38 -0.89 -3.28 115.31 114.58 3ek5 h LEU 18 Ca 0.06 -0.44 0.22 0.00 0.09 0.00 0.00 57.88 57.82 3ek5 h LEU 18 Cb 0.40 -0.27 -0.13 0.00 0.09 0.00 0.00 40.66 40.76 3ek5 h LEU 18 CO -0.00 1.23 0.40 0.24 0.09 0.00 0.00 178.44 180.40 3ek5 h MET 19 N 0.74 0.39 0.00 1.13 2.86 -0.82 -2.11 114.93 117.12 3ek5 h MET 19 Ca 0.06 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3ek5 h MET 19 Cb 0.96 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.54 3ek5 h MET 19 CO 0.09 0.26 0.00 0.41 1.06 0.00 0.00 176.91 178.73 3ek5 n GLY 20 N -1.34 0.92 0.01 8.32 0.00 -1.24 -2.42 105.19 109.45 3ek5 n GLY 20 Ca 0.22 -0.68 0.13 0.00 0.00 0.00 0.00 46.02 45.70 3ek5 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ek5 n ASP 21 N 5.30 0.27 -4.20 1.61 4.64 -1.26 -4.84 116.55 118.07 3ek5 n ASP 21 Ca 0.00 0.05 -0.29 0.00 -1.38 0.00 0.00 54.79 53.18 3ek5 n ASP 21 Cb 0.00 -0.13 0.26 0.00 -1.04 0.00 0.00 41.12 40.21 3ek5 n ASP 21 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3ek5 n GLY 22 N 1.47 -2.54 0.47 0.27 0.00 -1.02 -4.97 105.19 98.88 3ek5 n GLY 22 Ca 0.07 -1.26 0.05 0.00 0.00 0.00 0.00 46.02 44.88 3ek5 n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ek5 n ASP 23 N -4.79 2.41 -3.60 1.61 2.03 -1.26 -4.95 116.55 108.00 3ek5 n ASP 23 Ca 0.04 -1.78 -0.05 0.00 0.52 0.00 0.00 54.79 53.52 3ek5 n ASP 23 Cb 0.56 -0.12 -0.03 0.00 -0.72 0.00 0.00 41.12 40.80 3ek5 n ASP 23 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3ek5 s TYR 24 N -0.92 -0.14 0.00 -0.67 5.04 -1.26 -5.07 117.35 114.33 3ek5 s TYR 24 Ca 0.16 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.95 3ek5 s TYR 24 Cb 0.09 0.50 0.00 0.00 0.35 0.00 0.00 41.96 42.90 3ek5 s TYR 24 CO 0.13 -0.19 0.00 0.41 -1.34 0.00 0.00 175.55 174.56 3ek5 n GLY 25 N 0.16 1.83 3.54 8.97 0.00 -0.91 -4.74 105.19 114.04 3ek5 n GLY 25 Ca -0.01 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 3.22 -0.36 -0.61 1.01 -1.26 -3.60 121.20 119.59 3ek5 s ILE 26 Ca 0.00 -1.20 -0.11 0.00 0.00 0.00 0.00 60.65 59.34 3ek5 s ILE 26 Cb 0.00 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 40.03 3ek5 s ILE 26 CO 0.00 0.21 0.21 -0.62 0.00 0.00 0.00 174.94 174.74 3ek5 s ASP 27 N -1.90 5.76 0.56 3.58 2.15 -0.79 -4.91 116.67 121.12 3ek5 s ASP 27 Ca 0.19 -0.83 0.33 0.00 0.43 0.00 0.00 52.55 52.67 3ek5 s ASP 27 Cb -0.11 -2.04 1.46 0.00 -0.30 0.00 0.00 42.92 41.93 3ek5 s ASP 27 CO 0.10 -0.34 1.78 1.55 -0.17 0.00 0.00 175.17 178.09 3ek5 h PRO 28 N 8.45 0.00 -0.26 4.34 0.13 -1.92 0.16 132.00 142.90 3ek5 h PRO 28 Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 3ek5 h PRO 28 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3ek5 h PRO 28 CO 0.66 0.00 0.04 0.87 -0.23 0.00 0.00 178.00 179.35 3ek5 h LYS 29 N 0.00 0.43 -0.16 0.86 1.57 -1.94 -2.57 116.57 114.75 3ek5 h LYS 29 Ca 0.45 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 59.00 3ek5 h LYS 29 Cb 2.01 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.28 3ek5 h LYS 29 CO -0.00 0.55 -0.36 0.28 -0.57 0.00 0.00 179.45 179.34 3ek5 h VAL 30 N 0.24 1.35 0.00 0.50 2.07 -0.96 -2.74 116.25 116.71 3ek5 h VAL 30 Ca 0.08 -1.62 -0.06 0.00 0.82 0.00 0.00 66.70 65.93 3ek5 h VAL 30 Cb 0.33 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3ek5 h VAL 30 CO 0.00 0.49 -0.27 -0.29 0.02 0.00 0.00 177.57 177.52 3ek5 h ILE 31 N 0.17 1.07 -0.33 4.57 2.10 -1.56 0.07 117.51 123.59 3ek5 h ILE 31 Ca 0.00 -0.98 -0.13 0.00 1.08 0.00 0.00 64.86 64.83 3ek5 h ILE 31 Cb 0.96 1.54 -0.01 0.00 -1.09 0.00 0.00 36.82 38.23 3ek5 h ILE 31 CO 0.08 0.27 -0.31 -1.13 -1.08 0.00 0.00 178.15 175.98 3ek5 h ASN 32 N 0.00 0.85 -0.34 2.19 -1.24 -1.37 -0.55 115.58 115.11 3ek5 h ASN 32 Ca -0.00 -0.46 -0.10 0.00 0.71 0.00 0.00 56.30 56.45 3ek5 h ASN 32 Cb 0.52 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 3ek5 h ASN 32 CO 0.04 1.13 -0.16 0.03 -1.29 0.00 0.00 177.43 177.18 3ek5 h ARG 33 N 0.57 0.72 -0.40 6.67 3.08 -1.13 -2.56 114.38 121.33 3ek5 h ARG 33 Ca 0.06 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 3ek5 h ARG 33 Cb 0.89 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 3ek5 h ARG 33 CO 0.08 0.92 0.15 1.25 -1.07 0.00 0.00 179.97 181.30 3ek5 h LEU 34 N 0.50 0.55 -1.04 3.04 5.85 -0.92 0.13 115.31 123.41 3ek5 h LEU 34 Ca 0.08 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3ek5 h LEU 34 Cb 0.70 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 3ek5 h LEU 34 CO 0.05 0.57 0.64 0.00 -0.34 0.00 0.00 178.44 179.37 3ek5 h ALA 35 N 1.00 1.35 -0.16 1.25 0.00 -1.15 0.30 119.26 121.84 3ek5 h ALA 35 Ca 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3ek5 h ALA 35 Cb 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3ek5 h ALA 35 CO -0.01 0.57 0.02 0.45 0.00 0.00 0.00 179.25 180.28 3ek5 h HIS 36 N 1.26 0.29 -0.21 0.00 3.86 -0.97 0.93 115.15 120.32 3ek5 h HIS 36 Ca 0.38 -0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.60 3ek5 h HIS 36 Cb -0.04 -0.08 -0.07 0.00 1.06 0.00 0.00 27.41 28.28 3ek5 h HIS 36 CO -0.00 0.46 -0.25 0.93 0.86 0.00 0.00 177.93 179.93 3ek5 h GLU 37 N 0.05 -0.26 -0.31 2.45 4.39 -0.39 -1.10 114.58 119.40 3ek5 h GLU 37 Ca 0.05 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.82 3ek5 h GLU 37 Cb 0.33 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 3ek5 h GLU 37 CO 0.00 -0.17 -0.01 0.28 -1.16 0.00 0.00 179.01 177.96 3ek5 h VAL 38 N -0.27 0.77 -0.62 3.13 2.07 -0.80 -1.71 116.25 118.81 3ek5 h VAL 38 Ca 0.13 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.63 3ek5 h VAL 38 Cb 0.46 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3ek5 h VAL 38 CO -0.37 0.02 0.41 -0.29 0.02 0.00 0.00 177.57 177.36 3ek5 h ILE 39 N 0.08 1.14 0.08 4.57 6.09 -0.29 0.19 117.51 129.38 3ek5 h ILE 39 Ca 0.15 -0.28 -0.00 0.00 -1.37 0.00 0.00 64.86 63.35 3ek5 h ILE 39 Cb 0.20 0.25 0.00 0.00 0.47 0.00 0.00 36.82 37.74 3ek5 h ILE 39 CO -0.26 0.15 -0.04 -0.33 -3.07 0.00 0.00 178.15 174.61 3ek5 h GLU 40 N 0.82 -0.10 -0.45 2.19 5.08 -0.70 -0.50 114.58 120.92 3ek5 h GLU 40 Ca 0.23 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.69 3ek5 h GLU 40 Cb -0.06 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.11 3ek5 h GLU 40 CO -0.05 0.09 -0.32 0.00 -1.00 0.00 0.00 179.01 177.72 3ek5 h ALA 41 N 0.64 -0.14 -0.00 3.43 0.00 -0.75 0.89 119.26 123.33 3ek5 h ALA 41 Ca -0.01 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3ek5 h ALA 41 Cb 0.23 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3ek5 h ALA 41 CO 0.02 -0.71 -0.09 0.37 0.00 0.00 0.00 179.25 178.84 3ek5 h GLN 42 N -0.22 -0.14 -0.61 0.00 -0.00 -0.84 -2.16 115.11 111.13 3ek5 h GLN 42 Ca 0.19 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.89 3ek5 h GLN 42 Cb 0.54 0.03 -0.03 0.00 0.00 0.00 0.00 27.48 28.02 3ek5 h GLN 42 CO -0.58 -0.09 0.40 1.96 0.00 0.00 0.00 178.83 180.52 3ek5 h GLN 43 N -0.15 0.68 0.00 1.69 4.20 -0.68 -1.34 115.11 119.52 3ek5 h GLN 43 Ca 0.03 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3ek5 h GLN 43 Cb 0.19 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3ek5 h GLN 43 CO -0.09 0.45 0.00 0.00 -0.67 0.00 0.00 178.83 178.52 3ek5 h ALA 44 N 1.65 1.00 0.00 3.87 0.00 -0.19 -3.45 119.26 122.14 3ek5 h ALA 44 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ek5 h ALA 44 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ek5 h ALA 44 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 3ek5 n GLY 45 N -0.92 1.33 3.69 0.00 0.00 -0.51 -3.95 105.19 104.82 3ek5 n GLY 45 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 3.42 -0.20 4.61 0.00 -1.03 -4.97 121.76 121.59 3ek5 s ALA 46 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.00 3ek5 s ALA 46 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 3ek5 s ALA 46 CO 0.00 -0.62 1.37 -0.65 0.00 0.00 0.00 175.76 175.87 3ek5 s GLN 47 N 2.04 4.07 -0.07 0.00 -0.21 -0.89 -3.92 119.66 120.68 3ek5 s GLN 47 Ca 0.47 1.60 0.02 0.00 0.02 0.00 0.00 55.36 57.46 3ek5 s GLN 47 Cb -0.18 -3.86 -0.03 0.00 1.00 0.00 0.00 33.01 29.94 3ek5 s GLN 47 CO 0.17 -0.93 -0.10 0.08 -2.12 0.00 0.00 175.29 172.38 3ek5 s VAL 48 N 4.08 3.40 0.03 1.09 1.01 -1.26 -1.54 120.40 127.21 3ek5 s VAL 48 Ca 0.60 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 62.07 3ek5 s VAL 48 Cb -0.22 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3ek5 s VAL 48 CO 0.21 0.58 -0.23 0.00 0.00 0.00 0.00 175.10 175.67 3ek5 s ALA 49 N -0.62 1.92 -0.03 5.51 0.00 0.25 -1.73 121.76 127.06 3ek5 s ALA 49 Ca 0.09 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 51.03 3ek5 s ALA 49 Cb -0.11 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 3ek5 s ALA 49 CO 0.01 0.45 -0.25 -0.51 0.00 0.00 0.00 175.76 175.46 3ek5 s LEU 50 N -1.04 2.09 -0.08 0.00 1.43 0.39 -0.55 118.68 120.93 3ek5 s LEU 50 Ca 0.09 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 3ek5 s LEU 50 Cb -0.09 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.78 3ek5 s LEU 50 CO 0.01 0.31 -0.15 -0.69 0.23 0.00 0.00 176.35 176.06 3ek5 s VAL 51 N -0.57 1.39 -0.07 -1.59 1.01 -0.11 -0.31 120.40 120.15 3ek5 s VAL 51 Ca 0.09 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 3ek5 s VAL 51 Cb -0.10 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.05 3ek5 s VAL 51 CO -0.00 0.41 -0.04 -0.63 0.00 0.00 0.00 175.10 174.84 3ek5 s ILE 52 N 0.60 0.61 1.23 2.22 1.01 -1.26 -0.60 121.20 125.02 3ek5 s ILE 52 Ca -0.15 -0.09 -0.18 0.00 0.00 0.00 0.00 60.65 60.23 3ek5 s ILE 52 Cb -0.16 -0.68 0.30 0.00 0.01 0.00 0.00 42.46 41.93 3ek5 s ILE 52 CO 0.05 0.27 1.04 -0.83 0.00 0.00 0.00 174.94 175.47 3ek5 s GLY 53 N 1.44 1.52 -0.14 6.18 0.00 0.33 -4.74 107.32 111.91 3ek5 s GLY 53 Ca -0.02 -0.68 0.18 0.00 0.00 0.00 0.00 44.72 44.20 3ek5 s GLY 53 CO -0.03 0.18 1.21 0.61 0.00 0.00 0.00 173.10 175.07 3ek5 n GLY 54 N 0.04 4.67 0.27 0.20 0.00 -1.25 -4.34 105.19 104.79 3ek5 n GLY 54 Ca 0.10 -1.11 0.13 0.00 0.00 0.00 0.00 46.02 45.14 3ek5 n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ek5 h GLY 55 N 0.41 0.00 2.00 -0.02 0.00 -1.87 0.17 103.07 103.76 3ek5 h GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ek5 h GLY 55 CO 0.05 0.00 0.00 3.45 0.00 0.00 0.00 176.54 180.04 3ek5 h ASN 56 N 0.00 0.00 0.00 0.19 -1.07 -1.82 -3.32 115.58 109.55 3ek5 h ASN 56 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.27 3ek5 h ASN 56 Cb 0.24 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.47 3ek5 h ASN 56 CO 0.01 0.00 -1.34 -0.38 0.07 0.00 0.00 177.43 175.79 3ek5 n ILE 57 N -2.68 0.34 -0.81 6.14 5.41 -0.02 -2.15 119.36 125.60 3ek5 n ILE 57 Ca -0.01 -0.11 -0.26 0.00 1.00 0.00 0.00 62.75 63.37 3ek5 n ILE 57 Cb 0.12 -1.05 -0.02 0.00 -0.71 0.00 0.00 39.64 37.97 3ek5 n ILE 57 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 3ek5 n PHE 58 N -2.91 1.44 -4.32 1.39 -0.00 -0.78 -4.87 117.46 107.41 3ek5 n PHE 58 Ca -0.11 -1.91 -0.24 0.00 -0.00 0.00 0.00 57.45 55.19 3ek5 n PHE 58 Cb 0.60 -1.66 -0.08 0.00 -0.00 0.00 0.00 39.48 38.34 3ek5 n PHE 58 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3ek5 s ARG 59 N 3.73 2.12 0.00 -4.13 1.81 -1.26 -4.37 118.95 116.85 3ek5 s ARG 59 Ca 0.42 -1.61 0.00 0.00 -1.72 0.00 0.00 55.73 52.82 3ek5 s ARG 59 Cb 0.11 -2.01 0.00 0.00 -0.45 0.00 0.00 34.95 32.60 3ek5 s ARG 59 CO -0.01 0.25 0.00 0.41 -0.68 0.00 0.00 175.30 175.27 3ek5 n GLY 60 N -0.90 0.11 0.37 -3.53 0.00 -1.26 -3.79 105.19 96.20 3ek5 n GLY 60 Ca -0.05 -1.71 0.04 0.00 0.00 0.00 0.00 46.02 44.29 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 1.47 -0.85 4.61 0.00 -1.97 0.27 119.26 122.79 3ek5 h ALA 61 Ca 0.00 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.06 3ek5 h ALA 61 Cb 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 3ek5 h ALA 61 CO 0.00 0.38 0.56 0.78 0.00 0.00 0.00 179.25 180.97 3ek5 h GLY 62 N 1.09 0.87 0.00 0.00 0.00 -1.94 -2.88 103.07 100.21 3ek5 h GLY 62 Ca 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3ek5 h GLY 62 CO -0.17 0.03 0.00 1.04 0.00 0.00 0.00 176.54 177.44 3ek5 n LEU 63 N -4.51 0.00 0.00 3.11 4.77 -0.78 -4.76 117.00 114.83 3ek5 n LEU 63 Ca 0.17 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.23 3ek5 n LEU 63 Cb 0.60 -0.19 0.47 0.00 -2.33 0.00 0.00 43.42 41.97 3ek5 n LEU 63 CO 0.31 -0.41 0.68 0.00 -1.33 0.00 0.00 177.39 176.65 3ek5 n ALA 64 N -2.26 2.15 -1.95 -1.18 0.00 0.87 -4.80 120.51 113.34 3ek5 n ALA 64 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 3ek5 n ALA 64 Cb 0.00 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 3ek5 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ek5 s ALA 65 N -2.00 3.16 0.59 0.00 0.00 -1.09 -4.96 121.76 117.47 3ek5 s ALA 65 Ca 0.24 0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.37 3ek5 s ALA 65 Cb 0.11 -2.99 0.07 0.00 0.00 0.00 0.00 23.12 20.31 3ek5 s ALA 65 CO 0.18 0.15 0.15 -1.13 0.00 0.00 0.00 175.76 175.12 3ek5 n SER 66 N -0.70 -1.87 0.00 0.00 3.41 -1.26 -3.70 113.62 109.49 3ek5 n SER 66 Ca 0.05 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3ek5 n SER 66 Cb 0.54 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.36 1.54 1.17 5.00 0.00 -1.26 -4.91 105.19 107.10 3ek5 n GLY 67 Ca 0.02 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 3ek5 n GLY 67 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3ek5 n MET 68 N 0.00 0.00 -1.71 1.61 0.00 -1.24 -4.57 117.12 111.20 3ek5 n MET 68 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 57.70 57.09 3ek5 n MET 68 Cb 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 33.22 32.62 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 2.17 1.93 -0.27 6.12 -0.08 -1.26 -4.77 116.55 120.39 3ek5 n ASP 69 Ca 0.16 1.11 0.02 0.00 -1.51 0.00 0.00 54.79 54.57 3ek5 n ASP 69 Cb -0.02 -1.06 0.09 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 6.32 -0.00 -0.93 -0.67 9.65 -2.00 0.28 114.38 127.02 3ek5 h ARG 70 Ca -0.46 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.44 3ek5 h ARG 70 Cb 1.34 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.87 3ek5 h ARG 70 CO 0.95 -0.00 0.61 0.28 2.80 0.00 0.00 179.97 184.61 3ek5 h VAL 71 N -0.00 1.20 -0.58 0.20 2.07 -1.99 -1.92 116.25 115.23 3ek5 h VAL 71 Ca 0.37 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 3ek5 h VAL 71 Cb 0.56 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3ek5 h VAL 71 CO -0.79 0.22 0.09 0.74 0.02 0.00 0.00 177.57 177.85 3ek5 h THR 72 N 1.22 1.25 -0.52 2.57 2.02 -0.86 -1.16 112.91 117.42 3ek5 h THR 72 Ca 0.36 -0.96 -0.12 0.00 0.77 0.00 0.00 66.41 66.46 3ek5 h THR 72 Cb -0.07 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3ek5 h THR 72 CO -0.10 0.35 -0.13 1.23 0.37 0.00 0.00 175.52 177.25 3ek5 h GLY 73 N 1.01 1.09 0.98 2.16 0.00 -0.79 -0.71 103.07 106.81 3ek5 h GLY 73 Ca 0.18 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 3ek5 h GLY 73 CO 0.01 0.82 0.26 -0.55 0.00 0.00 0.00 176.54 177.08 3ek5 h ASP 74 N 0.87 0.65 -0.20 0.19 3.45 -1.15 0.31 116.42 120.54 3ek5 h ASP 74 Ca 0.13 -0.11 0.05 0.00 0.43 0.00 0.00 57.03 57.52 3ek5 h ASP 74 Cb 0.70 -0.17 -0.05 0.00 -0.56 0.00 0.00 39.33 39.25 3ek5 h ASP 74 CO 0.05 0.58 -0.10 0.45 -1.57 0.00 0.00 179.24 178.65 3ek5 h HIS 75 N 0.67 -0.24 -0.10 4.55 3.86 -0.92 0.23 115.15 123.21 3ek5 h HIS 75 Ca 0.18 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.44 3ek5 h HIS 75 Cb 0.09 0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 3ek5 h HIS 75 CO -0.01 -0.16 -0.08 0.52 0.86 0.00 0.00 177.93 179.06 3ek5 h MET 76 N -0.08 -0.09 -0.84 2.45 2.86 -0.87 0.02 114.93 118.39 3ek5 h MET 76 Ca 0.11 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.91 3ek5 h MET 76 Cb 0.24 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 31.83 3ek5 h MET 76 CO -0.25 -0.06 0.41 0.78 1.06 0.00 0.00 176.91 178.84 3ek5 h GLY 77 N -0.10 1.36 1.38 8.32 0.00 0.01 0.85 103.07 114.89 3ek5 h GLY 77 Ca 0.07 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 3ek5 h GLY 77 CO -0.16 -0.07 -0.04 -0.33 0.00 0.00 0.00 176.54 175.94 3ek5 h MET 78 N 0.57 0.75 -0.42 4.80 2.86 0.91 -1.34 114.93 123.05 3ek5 h MET 78 Ca 0.47 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.84 3ek5 h MET 78 Cb 0.69 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3ek5 h MET 78 CO -0.39 0.79 0.05 -0.07 1.06 0.00 0.00 176.91 178.35 3ek5 h LEU 79 N 0.70 0.69 -0.67 1.22 3.38 0.76 -2.72 115.31 118.67 3ek5 h LEU 79 Ca 0.13 -0.28 0.12 0.00 0.09 0.00 0.00 57.88 57.94 3ek5 h LEU 79 Cb 0.49 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 3ek5 h LEU 79 CO 0.02 0.80 0.23 0.00 0.09 0.00 0.00 178.44 179.58 3ek5 h ALA 80 N 0.92 0.88 0.00 1.53 0.00 -0.30 0.15 119.26 122.45 3ek5 h ALA 80 Ca 0.13 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ek5 h ALA 80 Cb 0.41 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ek5 h ALA 80 CO 0.01 -0.23 -0.05 1.79 0.00 0.00 0.00 179.25 180.77 3ek5 h THR 81 N 0.39 0.19 -0.01 0.00 1.35 -0.98 -1.21 112.91 112.63 3ek5 h THR 81 Ca 0.35 -0.48 -0.02 0.00 -0.55 0.00 0.00 66.41 65.71 3ek5 h THR 81 Cb 0.51 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3ek5 h THR 81 CO -0.37 0.05 -0.08 0.58 -0.25 0.00 0.00 175.52 175.44 3ek5 h VAL 82 N 0.00 1.52 -0.21 6.82 2.07 -0.46 -1.29 116.25 124.70 3ek5 h VAL 82 Ca -0.00 -1.65 0.06 0.00 0.82 0.00 0.00 66.70 65.92 3ek5 h VAL 82 Cb 0.39 2.58 -0.06 0.00 -1.52 0.00 0.00 31.29 32.68 3ek5 h VAL 82 CO 0.01 0.44 -0.20 0.40 0.02 0.00 0.00 177.57 178.23 3ek5 h ILE 83 N -0.56 0.47 -0.23 4.57 2.04 -0.63 0.68 117.51 123.86 3ek5 h ILE 83 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 3ek5 h ILE 83 Cb 0.76 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 3ek5 h ILE 83 CO 0.02 0.00 -0.13 0.78 0.00 0.00 0.00 178.15 178.82 3ek5 h ASN 84 N -0.22 -0.42 -0.99 1.72 2.35 -1.28 -1.00 115.58 115.75 3ek5 h ASN 84 Ca 0.13 0.10 0.18 0.00 -0.55 0.00 0.00 56.30 56.15 3ek5 h ASN 84 Cb 0.41 0.22 -0.10 0.00 0.05 0.00 0.00 38.32 38.91 3ek5 h ASN 84 CO -0.34 -0.16 0.61 0.00 -1.65 0.00 0.00 177.43 175.90 3ek5 h ALA 85 N 1.07 1.73 -0.20 -0.83 0.00 -0.25 0.13 119.26 120.92 3ek5 h ALA 85 Ca 0.12 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3ek5 h ALA 85 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ek5 h ALA 85 CO -0.29 -0.07 -0.12 -0.07 0.00 0.00 0.00 179.25 178.70 3ek5 h LEU 86 N 0.75 0.30 -0.22 0.00 4.07 0.43 -0.90 115.31 119.75 3ek5 h LEU 86 Ca 0.54 -0.06 -0.22 0.00 0.08 0.00 0.00 57.88 58.22 3ek5 h LEU 86 Cb 0.86 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.52 3ek5 h LEU 86 CO -0.32 0.45 -0.86 0.00 -1.08 0.00 0.00 178.44 176.62 3ek5 h ALA 87 N 1.58 0.40 -0.21 1.53 0.00 -0.22 -2.70 119.26 119.64 3ek5 h ALA 87 Ca 0.06 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 3ek5 h ALA 87 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ek5 h ALA 87 CO 0.02 0.76 -0.26 0.52 0.00 0.00 0.00 179.25 180.29 3ek5 h MET 88 N 0.31 0.41 -0.13 0.00 2.86 -1.09 -1.45 114.93 115.84 3ek5 h MET 88 Ca -0.07 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 3ek5 h MET 88 Cb 1.48 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.11 3ek5 h MET 88 CO 0.16 0.64 0.08 0.37 1.06 0.00 0.00 176.91 179.22 3ek5 h GLN 89 N 0.36 0.17 0.27 1.72 4.15 -1.00 -1.62 115.11 119.17 3ek5 h GLN 89 Ca 0.05 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 3ek5 h GLN 89 Cb 0.66 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.31 3ek5 h GLN 89 CO 0.05 0.12 -0.13 -0.44 -1.93 0.00 0.00 178.83 176.50 3ek5 h ASP 90 N 0.17 -0.31 -0.96 -0.69 5.19 -1.31 -1.25 116.42 117.26 3ek5 h ASP 90 Ca 0.05 -0.22 0.30 0.00 -0.62 0.00 0.00 57.03 56.54 3ek5 h ASP 90 Cb -0.01 0.08 -0.15 0.00 0.18 0.00 0.00 39.33 39.43 3ek5 h ASP 90 CO -0.01 0.13 0.42 0.00 -3.12 0.00 0.00 179.24 176.66 3ek5 h ALA 91 N -0.37 1.70 0.06 3.45 0.00 -1.32 -0.36 119.26 122.42 3ek5 h ALA 91 Ca -0.04 0.22 -0.28 0.00 0.00 0.00 0.00 54.91 54.81 3ek5 h ALA 91 Cb 0.51 0.26 0.02 0.00 0.00 0.00 0.00 17.79 18.59 3ek5 h ALA 91 CO 0.06 -0.57 -1.15 -0.07 0.00 0.00 0.00 179.25 177.52 3ek5 h LEU 92 N 0.23 0.89 -0.28 0.00 3.38 -1.23 -3.25 115.31 115.04 3ek5 h LEU 92 Ca 0.68 -0.76 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 3ek5 h LEU 92 Cb 1.51 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 3ek5 h LEU 92 CO -0.66 1.57 -0.29 -0.33 0.09 0.00 0.00 178.44 178.81 3ek5 h GLU 93 N 0.33 0.69 -0.37 1.13 5.08 -0.09 -0.59 114.58 120.77 3ek5 h GLU 93 Ca -0.16 -0.37 0.11 0.00 -1.00 0.00 0.00 59.36 57.94 3ek5 h GLU 93 Cb 1.81 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.06 3ek5 h GLU 93 CO 0.22 0.98 0.71 -0.22 -1.00 0.00 0.00 179.01 179.70 3ek5 h LYS 94 N 0.43 0.00 -0.44 2.33 3.64 -1.22 0.46 116.57 121.77 3ek5 h LYS 94 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3ek5 h LYS 94 Cb 0.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3ek5 h LYS 94 CO 0.07 0.00 0.00 1.28 -2.27 0.00 0.00 179.45 178.53 3ek5 n LEU 95 N -3.14 3.78 0.00 5.20 4.77 -0.25 -4.98 117.00 122.38 3ek5 n LEU 95 Ca 0.07 -2.39 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 3ek5 n LEU 95 Cb 0.85 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3ek5 n LEU 95 CO 0.17 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 3ek5 n GLY 96 N 0.50 0.07 3.83 -0.72 0.00 0.16 -5.07 105.19 103.96 3ek5 n GLY 96 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 3.22 -0.15 4.61 0.00 -1.12 -5.00 121.76 121.33 3ek5 s ALA 97 Ca 0.00 0.24 -0.19 0.00 0.00 0.00 0.00 51.96 52.01 3ek5 s ALA 97 Cb 0.00 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 3ek5 s ALA 97 CO 0.00 0.24 0.54 0.15 0.00 0.00 0.00 175.76 176.69 3ek5 s LYS 98 N -2.81 4.29 -0.02 0.00 1.02 -1.26 -4.02 119.74 116.95 3ek5 s LYS 98 Ca 0.55 0.52 0.04 0.00 0.02 0.00 0.00 55.97 57.11 3ek5 s LYS 98 Cb -0.12 -3.49 -0.03 0.00 -0.52 0.00 0.00 37.83 33.67 3ek5 s LYS 98 CO 0.17 -0.00 -0.14 0.08 -0.92 0.00 0.00 175.35 174.54 3ek5 s VAL 99 N 1.13 3.07 -0.38 3.17 1.01 -1.26 -1.35 120.40 125.79 3ek5 s VAL 99 Ca 0.27 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3ek5 s VAL 99 Cb -0.16 -2.25 0.12 0.00 0.00 0.00 0.00 36.38 34.10 3ek5 s VAL 99 CO 0.11 0.50 0.17 -0.13 0.00 0.00 0.00 175.10 175.74 3ek5 s ARG 100 N -1.02 1.10 0.04 2.72 1.81 -0.12 -4.94 118.95 118.55 3ek5 s ARG 100 Ca 0.13 -1.65 -0.30 0.00 -1.72 0.00 0.00 55.73 52.18 3ek5 s ARG 100 Cb -0.11 -2.31 -0.05 0.00 -0.45 0.00 0.00 34.95 32.03 3ek5 s ARG 100 CO 0.03 -1.07 1.21 0.08 -0.68 0.00 0.00 175.30 174.86 3ek5 s VAL 101 N 0.87 4.05 -0.08 3.52 1.01 -1.26 -2.04 120.40 126.47 3ek5 s VAL 101 Ca 0.14 1.46 0.01 0.00 0.00 0.00 0.00 61.98 63.59 3ek5 s VAL 101 Cb -0.21 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.25 3ek5 s VAL 101 CO -0.10 0.09 -0.08 -0.04 0.00 0.00 0.00 175.10 174.97 3ek5 s MET 102 N 1.27 1.43 -0.14 2.72 -1.94 0.13 -2.92 119.30 119.84 3ek5 s MET 102 Ca 0.59 -0.27 -0.05 0.00 -1.71 0.00 0.00 55.69 54.24 3ek5 s MET 102 Cb -0.29 -1.36 -0.04 0.00 2.01 0.00 0.00 34.83 35.15 3ek5 s MET 102 CO 0.28 -0.13 0.04 0.45 -0.01 0.00 0.00 175.02 175.66 3ek5 s SER 103 N 1.19 5.51 0.53 3.03 0.15 -0.46 -1.79 113.70 121.87 3ek5 s SER 103 Ca -0.05 0.12 0.35 0.00 0.70 0.00 0.00 55.95 57.07 3ek5 s SER 103 Cb -0.14 -1.82 1.63 0.00 -1.71 0.00 0.00 66.02 63.98 3ek5 s SER 103 CO -0.02 0.26 2.05 0.00 1.20 0.00 0.00 173.24 176.72 3ek5 h ALA 104 N 6.06 1.00 -3.87 5.45 0.00 -1.24 -2.18 119.26 124.49 3ek5 h ALA 104 Ca -0.42 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.81 3ek5 h ALA 104 Cb 1.18 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.77 3ek5 h ALA 104 CO 0.64 0.00 -0.82 0.96 0.00 0.00 0.00 179.25 180.03 3ek5 s ILE 105 N -3.76 2.69 -0.10 0.00 -4.36 -1.26 -4.64 121.20 109.77 3ek5 s ILE 105 Ca -0.01 -1.43 -0.29 0.00 -0.26 0.00 0.00 60.65 58.66 3ek5 s ILE 105 Cb 0.10 -2.19 -0.05 0.00 1.25 0.00 0.00 42.46 41.58 3ek5 s ILE 105 CO 0.46 0.19 1.61 -0.54 0.24 0.00 0.00 174.94 176.90 3ek5 s LYS 106 N -1.85 4.09 -0.40 0.37 1.02 -1.26 -4.85 119.74 116.87 3ek5 s LYS 106 Ca 0.16 2.03 0.10 0.00 0.02 0.00 0.00 55.97 58.28 3ek5 s LYS 106 Cb -0.10 -3.98 0.33 0.00 -0.52 0.00 0.00 37.83 33.56 3ek5 s LYS 106 CO 0.07 -0.94 0.80 -0.89 -0.92 0.00 0.00 175.35 173.47 3ek5 n ILE 107 N 5.68 -0.18 -0.20 2.17 5.41 -1.26 -5.01 119.36 125.97 3ek5 n ILE 107 Ca 0.17 -3.74 0.10 0.00 1.00 0.00 0.00 62.75 60.28 3ek5 n ILE 107 Cb 0.43 0.01 0.39 0.00 -0.71 0.00 0.00 39.64 39.76 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 3.15 0.60 -0.13 4.38 4.21 -1.89 -0.56 115.58 125.33 3ek5 h ASN 108 Ca 0.04 0.02 0.04 0.00 1.21 0.00 0.00 56.30 57.62 3ek5 h ASN 108 Cb 0.99 -0.11 -0.07 0.00 -1.12 0.00 0.00 38.32 38.02 3ek5 h ASN 108 CO 0.41 0.35 -0.41 0.44 -1.29 0.00 0.00 177.43 176.93 3ek5 h ASP 109 N 0.66 -1.28 0.96 5.81 3.45 -2.00 -3.10 116.42 120.91 3ek5 h ASP 109 Ca 0.36 0.17 -0.20 0.00 0.43 0.00 0.00 57.03 57.79 3ek5 h ASP 109 Cb 0.52 0.52 -0.03 0.00 -0.56 0.00 0.00 39.33 39.78 3ek5 h ASP 109 CO -0.14 -0.42 -0.97 0.58 -1.57 0.00 0.00 179.24 176.72 3ek5 h VAL 110 N -0.48 1.69 -2.15 -1.35 2.07 -1.57 -3.47 116.25 110.98 3ek5 h VAL 110 Ca 0.08 -3.30 0.18 0.00 0.82 0.00 0.00 66.70 64.48 3ek5 h VAL 110 Cb 0.62 2.79 -0.11 0.00 -1.52 0.00 0.00 31.29 33.06 3ek5 h VAL 110 CO -0.40 0.94 0.55 0.00 0.02 0.00 0.00 177.57 178.69 3ek5 s GLU 112 N -3.07 2.32 0.41 0.00 -1.05 -1.15 -3.88 118.70 112.28 3ek5 s GLU 112 Ca 0.10 0.83 -0.23 0.00 -0.15 0.00 0.00 54.97 55.52 3ek5 s GLU 112 Cb -0.00 -1.93 -0.09 0.00 -0.44 0.00 0.00 34.13 31.67 3ek5 s GLU 112 CO -0.02 -1.51 1.03 -0.51 0.95 0.00 0.00 175.26 175.21 3ek5 s ASP 113 N -3.76 6.77 0.05 0.83 1.11 -1.26 -1.35 116.67 119.05 3ek5 s ASP 113 Ca 0.60 1.98 -0.31 0.00 0.18 0.00 0.00 52.55 55.01 3ek5 s ASP 113 Cb -0.15 -2.58 -0.07 0.00 1.07 0.00 0.00 42.92 41.19 3ek5 s ASP 113 CO 0.55 -0.48 1.50 0.12 1.18 0.00 0.00 175.17 178.04 3ek5 s PHE 114 N -1.73 2.75 -0.16 4.23 5.36 -0.82 -4.63 117.98 122.97 3ek5 s PHE 114 Ca 0.59 0.64 -0.04 0.00 -0.96 0.00 0.00 56.93 57.16 3ek5 s PHE 114 Cb -0.20 -3.79 0.08 0.00 -0.34 0.00 0.00 43.02 38.77 3ek5 s PHE 114 CO 0.25 -3.00 0.22 0.42 -1.46 0.00 0.00 175.22 171.65 3ek5 s ILE 115 N 2.27 -0.34 0.28 3.12 1.01 -1.26 -4.99 121.20 121.28 3ek5 s ILE 115 Ca 0.68 0.08 -0.03 0.00 0.00 0.00 0.00 60.65 61.38 3ek5 s ILE 115 Cb -0.36 -0.55 0.38 0.00 0.01 0.00 0.00 42.46 41.94 3ek5 s ILE 115 CO 0.29 -0.05 1.59 -0.09 0.00 0.00 0.00 174.94 176.68 3ek5 h ARG 116 N 8.31 0.04 -0.12 2.79 2.43 -1.98 0.34 114.38 126.19 3ek5 h ARG 116 Ca -0.16 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.91 3ek5 h ARG 116 Cb 1.14 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 3ek5 h ARG 116 CO 0.21 0.03 -0.36 0.00 -1.51 0.00 0.00 179.97 178.34 3ek5 h ARG 117 N 0.04 0.25 0.03 0.20 3.08 -1.97 -1.32 114.38 114.69 3ek5 h ARG 117 Ca 0.52 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.46 3ek5 h ARG 117 Cb 0.98 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.02 3ek5 h ARG 117 CO -0.86 0.58 -0.02 0.00 -1.07 0.00 0.00 179.97 178.61 3ek5 h ARG 118 N 0.21 -0.04 -0.48 0.04 3.08 -0.84 -2.81 114.38 113.54 3ek5 h ARG 118 Ca 0.02 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.17 3ek5 h ARG 118 Cb 0.74 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.72 3ek5 h ARG 118 CO 0.06 0.47 -0.06 0.00 -1.07 0.00 0.00 179.97 179.36 3ek5 h ALA 119 N 0.34 0.38 -0.36 0.04 0.00 -0.72 0.30 119.26 119.24 3ek5 h ALA 119 Ca -0.00 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3ek5 h ALA 119 Cb 0.54 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3ek5 h ALA 119 CO 0.01 -0.42 0.05 0.82 0.00 0.00 0.00 179.25 179.71 3ek5 h ILE 120 N 0.05 0.80 -0.21 0.00 2.04 -1.32 0.65 117.51 119.52 3ek5 h ILE 120 Ca 0.23 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 66.02 3ek5 h ILE 120 Cb 0.36 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3ek5 h ILE 120 CO -0.45 0.03 0.03 -0.09 0.00 0.00 0.00 178.15 177.68 3ek5 h ARG 121 N 0.16 0.29 -0.36 2.37 9.65 -0.85 0.13 114.38 125.77 3ek5 h ARG 121 Ca 0.17 -0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 58.89 3ek5 h ARG 121 Cb 0.21 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 3ek5 h ARG 121 CO -0.24 0.29 -0.24 0.45 2.80 0.00 0.00 179.97 183.03 3ek5 h HIS 122 N 0.29 0.94 -0.34 2.20 3.86 0.84 -1.68 115.15 121.25 3ek5 h HIS 122 Ca 0.07 -0.25 -0.06 0.00 -1.16 0.00 0.00 60.37 58.97 3ek5 h HIS 122 Cb 0.15 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 3ek5 h HIS 122 CO 0.00 1.01 -0.06 -0.07 0.86 0.00 0.00 177.93 179.67 3ek5 h LEU 123 N 0.59 0.54 -0.86 2.43 -0.00 -0.26 -2.07 115.31 115.67 3ek5 h LEU 123 Ca 0.07 -0.12 -0.08 0.00 -0.00 0.00 0.00 57.88 57.75 3ek5 h LEU 123 Cb 0.80 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 3ek5 h LEU 123 CO 0.07 0.65 -0.38 -0.33 -0.00 0.00 0.00 178.44 178.45 3ek5 h GLU 124 N 0.53 0.00 -0.19 1.13 5.08 -0.48 -2.54 114.58 118.11 3ek5 h GLU 124 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3ek5 h GLU 124 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3ek5 h GLU 124 CO 0.02 0.38 0.00 1.63 -1.00 0.00 0.00 179.01 180.04 3ek5 n LYS 125 N -3.49 1.56 -0.79 2.33 5.02 -0.66 -4.90 118.16 117.23 3ek5 n LYS 125 Ca -0.00 -0.85 0.00 0.00 -2.02 0.00 0.00 58.31 55.44 3ek5 n LYS 125 Cb 0.52 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 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 0.97 0.58 3.89 0.72 0.00 -0.96 -5.06 105.19 105.33 3ek5 n GLY 126 Ca 0.12 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.56 3.71 -0.13 1.61 0.52 -0.82 -4.76 118.95 118.52 3ek5 s ARG 127 Ca 0.00 0.25 -0.23 0.00 -0.52 0.00 0.00 55.73 55.23 3ek5 s ARG 127 Cb 0.00 -2.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.94 3ek5 s ARG 127 CO 0.00 0.07 0.72 0.42 0.02 0.00 0.00 175.30 176.53 3ek5 s ILE 128 N -2.26 4.99 -0.16 1.52 1.09 -0.46 -4.40 121.20 121.53 3ek5 s ILE 128 Ca 0.48 1.44 -0.18 0.00 -1.10 0.00 0.00 60.65 61.29 3ek5 s ILE 128 Cb -0.10 -4.05 -0.04 0.00 -1.06 0.00 0.00 42.46 37.21 3ek5 s ILE 128 CO 0.31 0.14 0.47 0.00 -0.10 0.00 0.00 174.94 175.77 3ek5 s ALA 129 N 1.51 3.51 -0.19 9.38 0.00 -0.70 -0.95 121.76 134.33 3ek5 s ALA 129 Ca 0.35 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.00 3ek5 s ALA 129 Cb -0.17 -2.69 0.03 0.00 0.00 0.00 0.00 23.12 20.29 3ek5 s ALA 129 CO 0.14 -0.19 -0.14 0.42 0.00 0.00 0.00 175.76 175.99 3ek5 s ILE 130 N 1.07 1.80 -0.07 0.00 1.01 -0.87 0.15 121.20 124.29 3ek5 s ILE 130 Ca 0.24 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 3ek5 s ILE 130 Cb -0.15 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 3ek5 s ILE 130 CO 0.09 0.31 0.13 -0.36 0.00 0.00 0.00 174.94 175.12 3ek5 s PHE 131 N 1.35 3.50 0.07 3.97 0.08 0.58 0.20 117.98 127.75 3ek5 s PHE 131 Ca 0.01 0.41 0.01 0.00 0.12 0.00 0.00 56.93 57.48 3ek5 s PHE 131 Cb -0.15 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 3ek5 s PHE 131 CO -0.10 0.67 -0.05 0.00 -0.10 0.00 0.00 175.22 175.63 3ek5 s ALA 132 N -1.11 0.75 -0.04 5.36 0.00 -0.74 -4.32 121.76 121.65 3ek5 s ALA 132 Ca 0.19 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3ek5 s ALA 132 Cb -0.12 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.18 3ek5 s ALA 132 CO 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 175.76 175.60 3ek5 n ALA 133 N 0.25 -0.01 -0.69 0.00 0.00 -1.26 -0.79 120.51 118.03 3ek5 n ALA 133 Ca -0.14 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3ek5 n ALA 133 Cb 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.56 3.19 0.05 0.00 0.00 -1.26 -1.99 105.19 102.62 3ek5 n GLY 134 Ca -0.00 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 0.26 0.00 2.61 -2.24 -1.26 -4.69 114.28 108.96 3ek5 n THR 135 Ca 0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3ek5 n THR 135 Cb 0.00 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 1.26 0.28 3.48 3.38 0.00 -0.84 -4.97 105.19 107.78 3ek5 n GLY 136 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.09 3.69 0.77 1.61 -0.87 -1.26 -4.95 114.94 111.84 3ek5 s ASN 137 Ca 0.00 -0.87 -0.11 0.00 -1.57 0.00 0.00 52.86 50.31 3ek5 s ASN 137 Cb 0.00 -0.38 0.05 0.00 -0.02 0.00 0.00 41.25 40.90 3ek5 s ASN 137 CO 0.00 0.08 1.09 -2.16 -2.57 0.00 0.00 177.10 173.54 3ek5 s PRO 138 N -3.06 2.35 -0.00 -0.60 0.04 -1.26 -4.03 135.00 128.43 3ek5 s PRO 138 Ca 0.25 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.03 3ek5 s PRO 138 Cb -0.07 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3ek5 s PRO 138 CO 0.13 -1.46 0.00 1.19 0.04 0.00 0.00 177.00 176.90 3ek5 n PHE 139 N -3.34 0.00 -4.48 0.56 3.72 -1.26 -5.04 117.46 107.61 3ek5 n PHE 139 Ca 0.07 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.24 3ek5 n PHE 139 Cb 0.55 -0.35 -0.16 0.00 -0.94 0.00 0.00 39.48 38.58 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 -2.00 1.26 0.95 1.38 0.08 -1.26 -5.14 117.98 113.24 3ek5 s PHE 140 Ca 0.00 -0.43 -0.14 0.00 0.12 0.00 0.00 56.93 56.48 3ek5 s PHE 140 Cb 0.00 -0.94 0.17 0.00 -0.57 0.00 0.00 43.02 41.67 3ek5 s PHE 140 CO 0.00 -0.24 1.20 0.95 -0.10 0.00 0.00 175.22 177.03 3ek5 s THR 141 N 0.66 1.94 0.31 0.64 -4.23 -1.26 -4.92 115.64 108.78 3ek5 s THR 141 Ca -0.13 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.41 3ek5 s THR 141 Cb -0.15 -2.84 0.13 0.00 1.34 0.00 0.00 72.50 70.99 3ek5 s THR 141 CO 0.03 0.00 1.82 0.74 -0.54 0.00 0.00 174.62 176.66 3ek5 h THR 142 N -1.61 1.22 -0.69 3.99 2.02 -2.00 -2.41 112.91 113.43 3ek5 h THR 142 Ca -0.47 -0.93 0.01 0.00 0.77 0.00 0.00 66.41 65.78 3ek5 h THR 142 Cb 1.30 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 3ek5 h THR 142 CO 0.52 0.31 0.45 0.44 0.37 0.00 0.00 175.52 177.62 3ek5 h ASP 143 N 0.54 0.80 -0.43 4.18 3.32 -1.98 -1.03 116.42 121.82 3ek5 h ASP 143 Ca 0.11 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3ek5 h ASP 143 Cb 0.42 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3ek5 h ASP 143 CO 0.02 0.59 0.20 0.28 -1.72 0.00 0.00 179.24 178.61 3ek5 h SER 144 N 0.94 0.56 0.87 6.45 0.02 -1.77 0.37 113.55 120.99 3ek5 h SER 144 Ca 0.25 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 3ek5 h SER 144 Cb -0.10 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 3ek5 h SER 144 CO -0.05 0.53 -0.37 1.23 -1.14 0.00 0.00 176.83 177.03 3ek5 h GLY 145 N 0.55 0.00 0.85 -3.77 0.00 -1.44 -0.14 103.07 99.12 3ek5 h GLY 145 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.30 3ek5 h GLY 145 CO -0.02 0.00 -0.68 0.00 0.00 0.00 0.00 176.54 175.84 3ek5 h ALA 146 N 1.63 0.08 0.29 3.60 0.00 -0.43 -1.48 119.26 122.95 3ek5 h ALA 146 Ca -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 3ek5 h ALA 146 Cb 0.91 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3ek5 h ALA 146 CO 0.05 0.41 -0.16 0.00 0.00 0.00 0.00 179.25 179.55 3ek5 h ALA 147 N 0.33 -0.41 -0.34 0.00 0.00 -0.07 -0.52 119.26 118.24 3ek5 h ALA 147 Ca -0.09 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.81 3ek5 h ALA 147 Cb 1.39 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 19.29 3ek5 h ALA 147 CO 0.13 -0.74 -0.14 1.25 0.00 0.00 0.00 179.25 179.76 3ek5 h LEU 148 N -0.42 -0.48 -0.42 0.00 6.46 -1.02 0.36 115.31 119.79 3ek5 h LEU 148 Ca -0.04 0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.80 3ek5 h LEU 148 Cb 0.33 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 3ek5 h LEU 148 CO 0.05 -0.17 0.08 0.03 -0.62 0.00 0.00 178.44 177.80 3ek5 h ARG 149 N -0.08 0.69 -0.68 1.25 2.47 -1.16 0.27 114.38 117.14 3ek5 h ARG 149 Ca 0.17 -0.18 0.10 0.00 -1.26 0.00 0.00 59.98 58.81 3ek5 h ARG 149 Cb 0.34 -0.08 -0.07 0.00 -1.65 0.00 0.00 29.97 28.50 3ek5 h ARG 149 CO -0.39 0.72 0.30 0.00 0.56 0.00 0.00 179.97 181.15 3ek5 h ALA 150 N 0.94 0.91 -0.38 0.04 0.00 -0.34 -1.37 119.26 119.06 3ek5 h ALA 150 Ca 0.13 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3ek5 h ALA 150 Cb 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ek5 h ALA 150 CO 0.01 -0.13 -0.36 0.82 0.00 0.00 0.00 179.25 179.59 3ek5 h ILE 151 N 0.50 1.27 -0.10 0.00 2.04 -0.26 -0.21 117.51 120.76 3ek5 h ILE 151 Ca 0.34 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 3ek5 h ILE 151 Cb 0.41 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 3ek5 h ILE 151 CO -0.30 0.51 0.06 -0.33 0.00 0.00 0.00 178.15 178.09 3ek5 h GLU 152 N 0.74 0.13 0.00 2.37 5.08 -0.43 -2.31 114.58 120.15 3ek5 h GLU 152 Ca 0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ek5 h GLU 152 Cb 0.95 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3ek5 h GLU 152 CO 0.09 0.13 0.00 0.44 -1.00 0.00 0.00 179.01 178.67 3ek5 n ILE 153 N -4.99 0.20 -2.76 3.13 -5.35 -0.57 -4.90 119.36 104.12 3ek5 n ILE 153 Ca -0.05 0.05 -0.09 0.00 -0.27 0.00 0.00 62.75 62.39 3ek5 n ILE 153 Cb 0.05 -0.63 0.04 0.00 -1.74 0.00 0.00 39.64 37.36 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 0.89 0.14 3.79 3.28 0.00 -0.87 -4.96 105.19 107.47 3ek5 n GLY 154 Ca 0.11 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.16 2.75 -0.41 4.61 0.00 -0.14 -4.94 121.76 120.47 3ek5 s ALA 155 Ca 0.09 0.58 0.23 0.00 0.00 0.00 0.00 51.96 52.86 3ek5 s ALA 155 Cb -0.04 -3.28 0.29 0.00 0.00 0.00 0.00 23.12 20.09 3ek5 s ALA 155 CO 0.33 -0.68 1.52 -0.44 0.00 0.00 0.00 175.76 176.50 3ek5 h ASP 156 N 0.95 0.00 -3.80 0.00 3.32 -0.75 -3.46 116.42 112.68 3ek5 h ASP 156 Ca -0.48 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 3ek5 h ASP 156 Cb 1.23 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.57 3ek5 h ASP 156 CO 0.57 0.00 0.15 -0.22 -1.72 0.00 0.00 179.24 178.03 3ek5 s LEU 157 N -6.08 -0.74 -0.26 1.55 2.96 -1.22 -4.55 118.68 110.34 3ek5 s LEU 157 Ca 0.06 1.40 -0.06 0.00 -0.22 0.00 0.00 54.13 55.31 3ek5 s LEU 157 Cb 0.06 2.40 -0.01 0.00 0.50 0.00 0.00 46.19 49.14 3ek5 s LEU 157 CO 0.69 -0.24 0.04 -0.22 -1.32 0.00 0.00 176.35 175.30 3ek5 s LEU 158 N 0.52 3.44 -0.37 -0.68 2.96 0.50 -1.86 118.68 123.19 3ek5 s LEU 158 Ca -0.01 -0.49 -0.15 0.00 -0.22 0.00 0.00 54.13 53.26 3ek5 s LEU 158 Cb -0.05 -1.84 -0.00 0.00 0.50 0.00 0.00 46.19 44.80 3ek5 s LEU 158 CO -0.02 -0.10 0.35 -0.76 -1.32 0.00 0.00 176.35 174.50 3ek5 s LEU 159 N 1.52 4.65 -0.47 -0.68 1.43 0.23 -0.83 118.68 124.53 3ek5 s LEU 159 Ca 0.04 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 3ek5 s LEU 159 Cb -0.16 -2.29 0.10 0.00 0.03 0.00 0.00 46.19 43.87 3ek5 s LEU 159 CO 0.01 -0.40 0.37 -0.75 0.23 0.00 0.00 176.35 175.81 3ek5 s LYS 160 N 1.95 2.77 -0.29 1.70 2.20 -0.33 -1.13 119.74 126.62 3ek5 s LYS 160 Ca 0.10 -1.54 -0.29 0.00 -0.36 0.00 0.00 55.97 53.88 3ek5 s LYS 160 Cb -0.17 -4.03 0.01 0.00 -1.51 0.00 0.00 37.83 32.14 3ek5 s LYS 160 CO 0.12 -1.11 1.09 0.00 -0.36 0.00 0.00 175.35 175.09 3ek5 s ALA 161 N 1.51 3.55 0.30 3.13 0.00 -1.03 -2.51 121.76 126.72 3ek5 s ALA 161 Ca 0.04 0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.10 3ek5 s ALA 161 Cb -0.26 -3.64 -0.06 0.00 0.00 0.00 0.00 23.12 19.16 3ek5 s ALA 161 CO 0.03 -1.37 -0.02 0.95 0.00 0.00 0.00 175.76 175.35 3ek5 s THR 162 N 3.57 1.54 0.12 0.00 -4.23 0.39 -4.55 115.64 112.49 3ek5 s THR 162 Ca 0.46 -2.08 -0.27 0.00 -1.18 0.00 0.00 61.69 58.62 3ek5 s THR 162 Cb -0.14 -2.59 -0.06 0.00 1.34 0.00 0.00 72.50 71.05 3ek5 s THR 162 CO 0.13 -0.19 1.62 0.11 -0.54 0.00 0.00 174.62 175.75 3ek5 h LYS 163 N 2.19 -0.47 -6.44 3.99 1.57 -1.86 -3.37 116.57 112.18 3ek5 h LYS 163 Ca -0.41 0.03 -0.54 0.00 -1.87 0.00 0.00 60.65 57.87 3ek5 h LYS 163 Cb 1.24 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.66 3ek5 h LYS 163 CO 0.69 -0.31 0.69 0.08 -0.57 0.00 0.00 179.45 180.03 3ek5 s VAL 164 N -6.01 3.82 -0.96 0.50 1.01 -1.26 -4.82 120.40 112.69 3ek5 s VAL 164 Ca -0.16 1.27 -0.23 0.00 0.00 0.00 0.00 61.98 62.86 3ek5 s VAL 164 Cb 0.09 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.71 3ek5 s VAL 164 CO 0.65 0.05 1.39 -0.62 0.00 0.00 0.00 175.10 176.58 3ek5 s ASP 165 N 1.37 6.44 0.00 3.32 -1.08 -1.26 -4.45 116.67 121.00 3ek5 s ASP 165 Ca 0.61 -1.30 0.00 0.00 -0.52 0.00 0.00 52.55 51.34 3ek5 s ASP 165 Cb -0.31 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.60 3ek5 s ASP 165 CO 0.27 -1.54 0.00 0.61 0.52 0.00 0.00 175.17 175.03 3ek5 n GLY 166 N 6.51 -2.60 3.67 2.66 0.00 -1.24 -4.72 105.19 109.48 3ek5 n GLY 166 Ca 0.27 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.45 4.71 0.24 1.61 1.01 -1.26 -4.84 120.40 121.42 3ek5 s VAL 167 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 61.98 62.02 3ek5 s VAL 167 Cb 0.00 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 3ek5 s VAL 167 CO 0.00 0.52 -0.21 -0.31 0.00 0.00 0.00 175.10 175.10 3ek5 s TYR 168 N -0.10 2.31 -0.05 5.22 1.51 -1.26 -2.40 117.35 122.57 3ek5 s TYR 168 Ca 0.06 -0.34 -0.18 0.00 -1.01 0.00 0.00 57.07 55.61 3ek5 s TYR 168 Cb -0.12 -1.06 -0.12 0.00 -0.11 0.00 0.00 41.96 40.55 3ek5 s TYR 168 CO 0.01 0.63 0.73 0.38 -1.11 0.00 0.00 175.55 176.20 3ek5 h ASP 169 N 2.64 -0.29 -3.73 2.29 3.04 -1.94 -3.42 116.42 115.02 3ek5 h ASP 169 Ca -0.43 -0.19 -0.67 0.00 -3.24 0.00 0.00 57.03 52.50 3ek5 h ASP 169 Cb 1.24 0.07 -0.38 0.00 -1.04 0.00 0.00 39.33 39.23 3ek5 h ASP 169 CO 0.55 0.21 -0.72 -0.54 -2.04 0.00 0.00 179.24 176.71 3ek5 s LYS 170 N -3.30 1.87 0.00 4.15 -0.14 -1.26 -5.07 119.74 115.99 3ek5 s LYS 170 Ca -0.10 -1.65 0.00 0.00 -1.36 0.00 0.00 55.97 52.86 3ek5 s LYS 170 Cb 0.01 -3.16 0.00 0.00 -1.68 0.00 0.00 37.83 33.00 3ek5 s LYS 170 CO 0.36 -0.81 0.00 -0.25 -0.76 0.00 0.00 175.35 173.89 3ek5 n ASP 171 N 4.39 0.00 -1.92 2.83 10.43 -1.26 -4.44 116.55 126.57 3ek5 n ASP 171 Ca -0.04 0.00 -0.01 0.00 2.57 0.00 0.00 54.79 57.31 3ek5 n ASP 171 Cb 0.42 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.37 3ek5 n ASP 171 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 3ek5 n PRO 172 N 0.07 0.42 0.20 -0.24 -0.02 -1.26 -3.00 135.00 131.17 3ek5 n PRO 172 Ca 0.00 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3ek5 n PRO 172 Cb 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 3ek5 n PRO 172 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3ek5 n LYS 173 N 2.02 0.00 -0.74 -0.52 3.00 -1.26 -4.91 118.16 115.75 3ek5 n LYS 173 Ca 0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.25 3ek5 n LYS 173 Cb 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.11 3ek5 n LYS 173 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3ek5 n LYS 174 N -3.33 1.48 0.00 1.64 3.00 -1.16 -4.56 118.16 115.23 3ek5 n LYS 174 Ca 0.00 -0.75 0.00 0.00 -0.00 0.00 0.00 58.31 57.56 3ek5 n LYS 174 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 35.03 33.15 3ek5 n LYS 174 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 3ek5 n HIS 175 N 2.65 0.00 -0.01 5.64 -0.00 -1.23 -4.65 115.22 117.62 3ek5 n HIS 175 Ca 0.32 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.53 3ek5 n HIS 175 Cb 0.67 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.47 3ek5 n HIS 175 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 3ek5 n SER 176 N 0.00 2.83 -0.27 0.26 2.88 -1.26 -4.56 113.62 113.49 3ek5 n SER 176 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 3ek5 n SER 176 Cb 0.00 1.33 0.41 0.00 -0.75 0.00 0.00 64.21 65.21 3ek5 n SER 176 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3ek5 n ASP 177 N -1.90 1.06 -4.58 -3.46 4.64 -1.26 -4.96 116.55 106.09 3ek5 n ASP 177 Ca -0.04 -0.96 -0.50 0.00 -1.38 0.00 0.00 54.79 51.91 3ek5 n ASP 177 Cb 0.32 0.10 -0.05 0.00 -1.04 0.00 0.00 41.12 40.46 3ek5 n ASP 177 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3ek5 n ALA 178 N -0.54 -0.90 -2.60 -1.67 0.00 -1.26 -4.99 120.51 108.56 3ek5 n ALA 178 Ca 0.13 0.48 -0.32 0.00 0.00 0.00 0.00 53.44 53.73 3ek5 n ALA 178 Cb 0.34 -2.03 -0.10 0.00 0.00 0.00 0.00 19.45 17.66 3ek5 n ALA 178 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ek5 s VAL 179 N -0.02 3.65 -0.35 0.00 -7.23 -1.26 -5.00 120.40 110.19 3ek5 s VAL 179 Ca 0.76 -0.76 -0.21 0.00 -1.81 0.00 0.00 61.98 59.97 3ek5 s VAL 179 Cb -0.89 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 33.47 3ek5 s VAL 179 CO 0.51 0.41 0.66 -0.60 -0.31 0.00 0.00 175.10 175.76 3ek5 s ARG 180 N -1.38 3.71 0.02 4.82 3.52 -1.26 -3.36 118.95 125.02 3ek5 s ARG 180 Ca 0.17 0.12 -0.35 0.00 -0.13 0.00 0.00 55.73 55.53 3ek5 s ARG 180 Cb -0.11 -3.80 -0.14 0.00 -1.56 0.00 0.00 34.95 29.34 3ek5 s ARG 180 CO 0.07 -0.74 1.64 0.66 -0.81 0.00 0.00 175.30 176.13 3ek5 n TYR 181 N 6.08 2.12 -0.12 5.12 4.02 -1.01 -4.87 117.16 128.51 3ek5 n TYR 181 Ca -0.01 0.29 -0.12 0.00 -0.01 0.00 0.00 57.90 58.05 3ek5 n TYR 181 Cb 0.49 -2.53 -0.03 0.00 -0.02 0.00 0.00 39.34 37.25 3ek5 n TYR 181 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 3ek5 h ASP 182 N 6.78 0.78 -5.03 7.72 3.58 -1.91 -3.37 116.42 124.97 3ek5 h ASP 182 Ca -0.47 -0.41 -0.00 0.00 0.42 0.00 0.00 57.03 56.57 3ek5 h ASP 182 Cb 1.28 -0.21 -0.10 0.00 1.72 0.00 0.00 39.33 42.02 3ek5 h ASP 182 CO 0.89 1.02 0.15 -0.94 -2.88 0.00 0.00 179.24 177.48 3ek5 s SER 183 N -6.47 -0.39 -0.05 2.28 1.04 -1.26 -3.49 113.70 105.35 3ek5 s SER 183 Ca -0.12 -0.29 -0.17 0.00 0.48 0.00 0.00 55.95 55.84 3ek5 s SER 183 Cb 0.10 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.87 3ek5 s SER 183 CO 0.83 -1.08 0.40 -0.76 0.98 0.00 0.00 173.24 173.61 3ek5 s LEU 184 N -2.83 0.49 0.47 2.42 1.43 -0.53 -4.91 118.68 115.22 3ek5 s LEU 184 Ca 0.06 0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 53.51 3ek5 s LEU 184 Cb -0.02 1.52 -0.02 0.00 0.03 0.00 0.00 46.19 47.71 3ek5 s LEU 184 CO -0.05 -0.40 0.73 0.42 0.23 0.00 0.00 176.35 177.27 3ek5 s THR 185 N -0.93 4.42 0.26 5.49 -4.23 -1.25 -1.38 115.64 118.03 3ek5 s THR 185 Ca -0.10 -0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 60.23 3ek5 s THR 185 Cb -0.04 -3.67 0.24 0.00 1.34 0.00 0.00 72.50 70.38 3ek5 s THR 185 CO 0.04 -0.57 1.74 1.88 -0.54 0.00 0.00 174.62 177.17 3ek5 h TYR 186 N 0.29 0.66 -0.15 3.99 -1.99 -1.27 -1.93 116.97 116.57 3ek5 h TYR 186 Ca -0.47 0.04 -0.08 0.00 2.00 0.00 0.00 58.73 60.22 3ek5 h TYR 186 Cb 1.23 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 39.79 3ek5 h TYR 186 CO 0.51 0.10 -0.22 -0.44 -0.00 0.00 0.00 178.16 178.11 3ek5 h ASP 187 N 0.52 0.46 -0.79 3.88 5.19 -1.93 -2.61 116.42 121.14 3ek5 h ASP 187 Ca 0.47 -0.52 0.17 0.00 -0.62 0.00 0.00 57.03 56.53 3ek5 h ASP 187 Cb 0.72 -0.13 -0.11 0.00 0.18 0.00 0.00 39.33 39.99 3ek5 h ASP 187 CO -0.41 0.89 0.26 -0.33 -3.12 0.00 0.00 179.24 176.53 3ek5 h GLU 188 N 0.04 0.33 0.20 3.56 5.08 -1.83 0.54 114.58 122.50 3ek5 h GLU 188 Ca 0.01 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3ek5 h GLU 188 Cb 0.79 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 3ek5 h GLU 188 CO 0.05 0.22 -0.38 0.28 -1.00 0.00 0.00 179.01 178.18 3ek5 h VAL 189 N 0.34 0.22 -0.47 3.13 2.07 -1.23 -1.43 116.25 118.88 3ek5 h VAL 189 Ca 0.45 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.91 3ek5 h VAL 189 Cb 0.78 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3ek5 h VAL 189 CO -0.50 0.00 0.03 0.40 0.02 0.00 0.00 177.57 177.52 3ek5 h ILE 190 N -0.67 1.26 -0.91 4.57 2.04 -0.79 -1.51 117.51 121.50 3ek5 h ILE 190 Ca 0.01 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 64.90 3ek5 h ILE 190 Cb 0.66 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 3ek5 h ILE 190 CO -0.17 0.35 0.59 -0.03 0.00 0.00 0.00 178.15 178.89 3ek5 h MET 191 N 0.66 1.09 -0.72 2.37 4.05 0.04 -1.73 114.93 120.69 3ek5 h MET 191 Ca 0.14 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3ek5 h MET 191 Cb 0.46 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 3ek5 h MET 191 CO 0.02 0.72 0.00 1.04 0.23 0.00 0.00 176.91 178.92 3ek5 n GLN 192 N -4.52 3.18 -1.11 0.39 6.02 -0.54 -4.89 117.38 115.91 3ek5 n GLN 192 Ca 0.12 -1.83 -0.08 0.00 -0.01 0.00 0.00 57.00 55.19 3ek5 n GLN 192 Cb 0.11 -1.90 -0.04 0.00 1.02 0.00 0.00 30.24 29.44 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 0.45 0.80 3.76 1.08 0.00 -0.65 -4.91 105.19 105.72 3ek5 n GLY 193 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.39 4.47 -0.13 0.99 1.43 -0.61 -5.02 118.68 117.42 3ek5 s LEU 194 Ca 0.00 2.34 0.01 0.00 -1.03 0.00 0.00 54.13 55.45 3ek5 s LEU 194 Cb 0.00 -3.71 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 3ek5 s LEU 194 CO 0.00 -0.29 -0.17 -1.83 0.23 0.00 0.00 176.35 174.29 3ek5 s GLU 195 N -1.66 3.25 0.06 1.70 -1.05 -1.26 -4.57 118.70 115.16 3ek5 s GLU 195 Ca 0.47 -0.76 -0.01 0.00 -0.15 0.00 0.00 54.97 54.52 3ek5 s GLU 195 Cb -0.33 -2.53 -0.00 0.00 -0.44 0.00 0.00 34.13 30.83 3ek5 s GLU 195 CO 0.42 0.17 -0.03 0.28 0.95 0.00 0.00 175.26 177.05 3ek5 n VAL 196 N 3.62 1.06 -4.38 1.83 0.31 -1.26 -5.08 118.33 114.44 3ek5 n VAL 196 Ca -0.19 0.33 -0.20 0.00 -0.01 0.00 0.00 64.34 64.28 3ek5 n VAL 196 Cb 0.53 -1.56 -0.10 0.00 -0.91 0.00 0.00 33.84 31.79 3ek5 n VAL 196 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3ek5 s MET 197 N -1.91 1.43 0.67 5.55 -1.94 -1.26 -5.12 119.30 116.72 3ek5 s MET 197 Ca -0.02 -1.65 -0.17 0.00 -1.71 0.00 0.00 55.69 52.13 3ek5 s MET 197 Cb 0.00 -1.25 -0.04 0.00 2.01 0.00 0.00 34.83 35.55 3ek5 s MET 197 CO 0.03 0.19 0.69 -0.40 -0.01 0.00 0.00 175.02 175.52 3ek5 n ASP 198 N -0.46 -0.51 -0.41 3.03 5.68 -1.26 -4.52 116.55 118.10 3ek5 n ASP 198 Ca -0.07 0.67 -0.10 0.00 -0.50 0.00 0.00 54.79 54.79 3ek5 n ASP 198 Cb 0.61 -1.27 -0.08 0.00 -1.14 0.00 0.00 41.12 39.23 3ek5 n ASP 198 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 3ek5 n THR 199 N -2.16 -0.66 -0.22 2.12 -1.04 -1.26 -1.53 114.28 109.54 3ek5 n THR 199 Ca 0.12 2.39 -0.00 0.00 -2.04 0.00 0.00 64.05 64.51 3ek5 n THR 199 Cb 0.49 -2.97 0.11 0.00 -1.82 0.00 0.00 70.33 66.14 3ek5 n THR 199 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ek5 h ALA 200 N 0.59 0.85 -0.41 2.41 0.00 -2.00 -0.01 119.26 120.69 3ek5 h ALA 200 Ca 0.18 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 3ek5 h ALA 200 Cb 0.43 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3ek5 h ALA 200 CO -0.94 -0.08 -0.12 0.00 0.00 0.00 0.00 179.25 178.11 3ek5 h ALA 201 N 1.39 1.01 -0.38 0.00 0.00 -1.60 -1.93 119.26 117.74 3ek5 h ALA 201 Ca 0.31 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3ek5 h ALA 201 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ek5 h ALA 201 CO -0.25 0.59 -0.05 0.35 0.00 0.00 0.00 179.25 179.90 3ek5 h PHE 202 N 0.67 0.78 -0.51 0.00 3.57 -0.57 -2.20 116.94 118.69 3ek5 h PHE 202 Ca 0.11 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.49 3ek5 h PHE 202 Cb 0.59 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 3ek5 h PHE 202 CO 0.03 0.82 0.28 0.00 -2.23 0.00 0.00 178.31 177.22 3ek5 h ALA 203 N 0.85 0.66 -0.34 2.41 0.00 -0.76 0.14 119.26 122.22 3ek5 h ALA 203 Ca 0.10 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3ek5 h ALA 203 Cb 0.54 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3ek5 h ALA 203 CO 0.03 -0.04 0.15 1.25 0.00 0.00 0.00 179.25 180.64 3ek5 h LEU 204 N 0.56 0.20 -0.97 0.00 6.46 -1.19 0.27 115.31 120.63 3ek5 h LEU 204 Ca 0.22 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.91 3ek5 h LEU 204 Cb 0.08 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 3ek5 h LEU 204 CO -0.12 0.15 -0.23 0.00 -0.62 0.00 0.00 178.44 177.62 3ek5 h ALA 205 N 1.19 1.13 -0.02 1.25 0.00 -1.07 -3.07 119.26 118.68 3ek5 h ALA 205 Ca 0.15 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 3ek5 h ALA 205 Cb 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ek5 h ALA 205 CO -0.12 0.54 -0.72 -0.09 0.00 0.00 0.00 179.25 178.86 3ek5 h ARG 206 N 0.42 0.11 -0.27 0.00 2.43 0.46 -0.22 114.38 117.32 3ek5 h ARG 206 Ca 0.07 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 3ek5 h ARG 206 Cb 0.63 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3ek5 h ARG 206 CO 0.05 0.78 -0.22 -0.44 -1.51 0.00 0.00 179.97 178.62 3ek5 h ASP 207 N 0.07 0.49 0.01 -3.80 3.32 -0.42 -3.07 116.42 113.03 3ek5 h ASP 207 Ca -0.02 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3ek5 h ASP 207 Cb 1.27 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3ek5 h ASP 207 CO 0.10 0.72 -0.31 -1.20 -1.72 0.00 0.00 179.24 176.83 3ek5 n SER 208 N -4.14 2.10 -3.40 6.45 7.64 -1.19 -4.98 113.62 116.10 3ek5 n SER 208 Ca -0.00 -1.55 -0.18 0.00 1.01 0.00 0.00 58.87 58.15 3ek5 n SER 208 Cb 0.39 0.29 0.08 0.00 -1.01 0.00 0.00 64.21 63.97 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 0.23 -3.24 -4.65 6.43 4.64 -0.25 -4.92 116.55 114.79 3ek5 n ASP 209 Ca 0.11 -0.58 -0.43 0.00 -1.38 0.00 0.00 54.79 52.52 3ek5 n ASP 209 Cb 0.48 -4.96 -0.02 0.00 -1.04 0.00 0.00 41.12 35.57 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 -6.48 4.09 -0.01 -2.67 2.96 -0.30 -4.82 118.68 111.46 3ek5 s LEU 210 Ca 0.16 1.50 -0.32 0.00 -0.22 0.00 0.00 54.13 55.26 3ek5 s LEU 210 Cb -0.07 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.97 3ek5 s LEU 210 CO 0.71 -0.82 1.91 -2.65 -1.32 0.00 0.00 176.35 174.18 3ek5 n PRO 211 N 6.72 2.54 -4.04 0.98 -0.02 -1.26 -4.81 135.00 135.11 3ek5 n PRO 211 Ca 0.14 0.93 -0.30 0.00 -2.02 0.00 0.00 63.50 62.25 3ek5 n PRO 211 Cb 0.45 -2.82 -0.06 0.00 -0.02 0.00 0.00 33.50 31.05 3ek5 n PRO 211 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ek5 s LEU 212 N 4.00 3.88 -0.13 2.45 1.43 0.40 -0.37 118.68 130.35 3ek5 s LEU 212 Ca 0.90 0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.97 3ek5 s LEU 212 Cb -0.56 -2.54 0.05 0.00 0.03 0.00 0.00 46.19 43.17 3ek5 s LEU 212 CO 0.46 0.15 0.09 -0.60 0.23 0.00 0.00 176.35 176.68 3ek5 s ARG 213 N -2.53 0.02 0.05 1.70 3.52 -0.01 -0.02 118.95 121.68 3ek5 s ARG 213 Ca 0.30 0.10 -0.21 0.00 -0.13 0.00 0.00 55.73 55.79 3ek5 s ARG 213 Cb -0.12 -1.34 -0.06 0.00 -1.56 0.00 0.00 34.95 31.87 3ek5 s ARG 213 CO 0.23 -0.55 0.63 0.42 -0.81 0.00 0.00 175.30 175.22 3ek5 s ILE 214 N 2.16 4.77 0.21 4.11 -1.09 -0.65 -1.18 121.20 129.53 3ek5 s ILE 214 Ca 0.03 1.34 -0.21 0.00 -2.23 0.00 0.00 60.65 59.58 3ek5 s ILE 214 Cb -0.15 -3.97 0.07 0.00 -1.58 0.00 0.00 42.46 36.84 3ek5 s ILE 214 CO -0.07 0.47 1.00 0.72 -1.23 0.00 0.00 174.94 175.83 3ek5 s PHE 215 N -0.58 0.07 0.00 3.97 -0.00 -1.04 -1.66 117.98 118.74 3ek5 s PHE 215 Ca 0.32 -0.50 0.00 0.00 -0.00 0.00 0.00 56.93 56.75 3ek5 s PHE 215 Cb -0.20 0.72 0.00 0.00 -0.00 0.00 0.00 43.02 43.54 3ek5 s PHE 215 CO 0.20 -1.01 0.05 0.41 -0.00 0.00 0.00 175.22 174.87 3ek5 n GLY 216 N -0.67 0.37 0.00 1.99 0.00 -1.26 -0.46 105.19 105.16 3ek5 n GLY 216 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3ek5 n GLY 216 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3ek5 n MET 217 N -1.27 0.00 0.19 1.61 1.56 -1.26 -4.25 117.12 113.69 3ek5 n MET 217 Ca 0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.28 3ek5 n MET 217 Cb 0.00 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.30 3ek5 n MET 217 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 3ek5 h SER 218 N 0.00 -1.07 -3.26 6.12 0.87 -1.94 -3.43 113.55 110.84 3ek5 h SER 218 Ca 0.00 0.10 -0.55 0.00 -1.23 0.00 0.00 61.79 60.12 3ek5 h SER 218 Cb 0.00 0.38 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3ek5 h SER 218 CO 0.00 -0.50 0.53 -1.61 -0.53 0.00 0.00 176.83 174.72 3ek5 s GLU 219 N -5.97 4.45 0.70 2.24 0.41 -1.26 -5.02 118.70 114.26 3ek5 s GLU 219 Ca -0.17 1.53 -0.15 0.00 -0.41 0.00 0.00 54.97 55.77 3ek5 s GLU 219 Cb 0.06 -3.49 0.02 0.00 -1.78 0.00 0.00 34.13 28.95 3ek5 s GLU 219 CO 0.63 -0.25 1.17 -1.25 -0.49 0.00 0.00 175.26 175.07 3ek5 s PRO 220 N 1.57 2.41 0.00 0.39 0.04 -1.26 -3.08 135.00 135.07 3ek5 s PRO 220 Ca 0.53 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.19 3ek5 s PRO 220 Cb -0.23 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3ek5 s PRO 220 CO 0.24 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 176.09 3ek5 n GLY 221 N 0.05 0.88 0.21 0.56 0.00 -1.26 -4.95 105.19 100.68 3ek5 n GLY 221 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 0.68 -0.53 1.61 2.07 -1.92 -1.18 116.25 116.97 3ek5 h VAL 222 Ca 0.00 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.56 3ek5 h VAL 222 Cb 0.00 0.71 -0.10 0.00 -1.52 0.00 0.00 31.29 30.38 3ek5 h VAL 222 CO 0.00 0.01 -0.14 -0.07 0.02 0.00 0.00 177.57 177.39 3ek5 h LEU 223 N -0.49 -0.53 -0.97 2.57 4.07 -1.92 0.18 115.31 118.23 3ek5 h LEU 223 Ca -0.05 0.16 0.09 0.00 0.08 0.00 0.00 57.88 58.17 3ek5 h LEU 223 Cb 0.37 0.34 -0.07 0.00 1.08 0.00 0.00 40.66 42.38 3ek5 h LEU 223 CO 0.08 -0.18 0.61 -0.07 -1.08 0.00 0.00 178.44 177.79 3ek5 h LEU 224 N -0.01 0.93 -0.06 1.67 3.38 -1.86 0.34 115.31 119.70 3ek5 h LEU 224 Ca 0.26 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 3ek5 h LEU 224 Cb 0.40 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3ek5 h LEU 224 CO -0.55 0.55 -0.02 0.03 0.09 0.00 0.00 178.44 178.53 3ek5 h ARG 225 N 1.04 0.13 -0.49 1.13 3.08 0.13 -2.54 114.38 116.85 3ek5 h ARG 225 Ca 0.45 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.48 3ek5 h ARG 225 Cb 0.33 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 3ek5 h ARG 225 CO -0.22 0.47 0.27 0.82 -1.07 0.00 0.00 179.97 180.24 3ek5 h ILE 226 N -0.23 1.01 -0.23 2.04 2.04 -0.32 -1.46 117.51 120.35 3ek5 h ILE 226 Ca 0.02 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3ek5 h ILE 226 Cb 0.43 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3ek5 h ILE 226 CO 0.01 0.10 0.02 -0.07 0.00 0.00 0.00 178.15 178.21 3ek5 h LEU 227 N 0.53 0.30 -0.56 1.44 -0.00 -0.36 -2.35 115.31 114.32 3ek5 h LEU 227 Ca 0.20 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 3ek5 h LEU 227 Cb 0.07 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 3ek5 h LEU 227 CO -0.12 0.34 -0.10 1.41 -0.00 0.00 0.00 178.44 179.98 3ek5 n HIS 228 N -4.37 0.00 0.00 1.13 8.25 -0.64 -0.21 115.22 119.38 3ek5 n HIS 228 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ek5 n HIS 228 Cb 0.18 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3ek5 n HIS 228 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ek5 n GLY 229 N 1.23 1.93 3.60 -1.41 0.00 -0.67 -4.85 105.19 105.02 3ek5 n GLY 229 Ca 0.16 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.50 -2.36 4.61 0.00 -0.91 -4.83 120.51 116.51 3ek5 n ALA 230 Ca 0.00 0.48 -0.37 0.00 0.00 0.00 0.00 53.44 53.56 3ek5 n ALA 230 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 3ek5 n ALA 230 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ek5 s GLN 231 N 0.19 3.33 -0.09 0.00 -1.52 -1.26 -4.59 119.66 115.71 3ek5 s GLN 231 Ca 0.79 -1.48 -0.02 0.00 -1.95 0.00 0.00 55.36 52.70 3ek5 s GLN 231 Cb -0.87 -5.38 -0.03 0.00 -0.22 0.00 0.00 33.01 26.51 3ek5 s GLN 231 CO 0.48 -2.92 -0.02 0.42 -0.25 0.00 0.00 175.29 173.00 3ek5 s ILE 232 N 7.05 4.14 0.00 1.08 1.01 -1.26 -4.99 121.20 128.24 3ek5 s ILE 232 Ca 0.59 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.94 3ek5 s ILE 232 Cb 0.01 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.74 3ek5 s ILE 232 CO 0.07 0.59 0.00 0.61 0.00 0.00 0.00 174.94 176.21 3ek5 n GLY 233 N 2.37 -0.27 3.91 6.18 0.00 -1.26 -4.77 105.19 111.35 3ek5 n GLY 233 Ca -0.18 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 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 5.13 -0.15 2.61 2.01 -0.66 -4.79 115.64 119.79 3ek5 s THR 234 Ca 0.00 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 61.98 3ek5 s THR 234 Cb 0.00 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 68.85 3ek5 s THR 234 CO 0.00 -0.11 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.39 3ek5 s LEU 235 N -3.05 2.09 -0.23 4.42 1.98 -1.23 -1.64 118.68 121.02 3ek5 s LEU 235 Ca 0.41 -0.60 -0.07 0.00 -2.89 0.00 0.00 54.13 50.98 3ek5 s LEU 235 Cb -0.11 -1.43 -0.03 0.00 0.66 0.00 0.00 46.19 45.27 3ek5 s LEU 235 CO 0.27 0.06 0.06 -0.69 -1.89 0.00 0.00 176.35 174.16 3ek5 s VAL 236 N 0.93 4.37 0.01 1.68 1.01 0.97 -1.46 120.40 127.92 3ek5 s VAL 236 Ca -0.04 -0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 3ek5 s VAL 236 Cb -0.15 -3.03 0.09 0.00 0.00 0.00 0.00 36.38 33.29 3ek5 s VAL 236 CO -0.04 0.36 0.76 -1.58 0.00 0.00 0.00 175.10 174.60 3ek5 s GLN 237 N 1.36 0.99 0.48 2.72 0.74 -0.48 -0.45 119.66 125.02 3ek5 s GLN 237 Ca 0.05 -0.15 0.00 0.00 0.05 0.00 0.00 55.36 55.31 3ek5 s GLN 237 Cb -0.15 0.46 0.00 0.00 1.10 0.00 0.00 33.01 34.42 3ek5 s GLN 237 CO 0.03 -0.39 0.00 0.41 -0.55 0.00 0.00 175.29 174.79 3ek5 n GLY 238 N 0.14 -2.80 2.72 2.59 0.00 -1.26 -3.78 105.19 102.80 3ek5 n GLY 238 Ca -0.14 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 3ek5 n GLY 238 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ek5 s ARG 239 N -3.45 0.90 0.00 1.61 0.52 -1.26 -1.21 118.95 116.06 3ek5 s ARG 239 Ca 0.00 -1.39 0.00 0.00 -0.52 0.00 0.00 55.73 53.82 3ek5 s ARG 239 Cb 0.00 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.38 3ek5 s ARG 239 CO 0.00 -1.05 0.44 -1.13 0.02 0.00 0.00 175.30 173.58