#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 0.00 -1.83 4.33 1.02 -1.26 -4.98 120.64 117.92 3ek5 n GLU 3 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3ek5 n GLU 3 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3ek5 n GLU 3 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ek5 n LEU 4 N 0.00 -4.76 -0.21 -4.62 4.77 -1.26 -4.88 117.00 106.04 3ek5 n LEU 4 Ca 0.00 1.68 0.15 0.00 -0.03 0.00 0.00 56.01 57.81 3ek5 n LEU 4 Cb 0.00 -2.35 0.69 0.00 -2.33 0.00 0.00 43.42 39.43 3ek5 n LEU 4 CO 0.00 -1.80 0.95 -1.20 -1.33 0.00 0.00 177.39 174.01 3ek5 n SER 5 N 1.09 0.69 -3.58 -1.43 7.64 0.90 -4.71 113.62 114.22 3ek5 n SER 5 Ca -0.02 -1.06 -0.12 0.00 1.01 0.00 0.00 58.87 58.68 3ek5 n SER 5 Cb 0.03 -0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.10 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 -2.14 -0.55 -0.14 1.43 2.02 -1.25 -4.98 117.35 111.73 3ek5 s TYR 6 Ca 0.39 0.96 -0.28 0.00 -0.37 0.00 0.00 57.07 57.77 3ek5 s TYR 6 Cb 0.21 -0.00 -0.26 0.00 -0.40 0.00 0.00 41.96 41.51 3ek5 s TYR 6 CO 0.39 -0.48 0.73 0.00 -1.57 0.00 0.00 175.55 174.62 3ek5 h ARG 7 N 8.25 0.03 -4.89 -0.62 2.47 -1.94 -3.45 114.38 114.23 3ek5 h ARG 7 Ca -0.16 -0.05 -0.66 0.00 -1.26 0.00 0.00 59.98 57.86 3ek5 h ARG 7 Cb 1.13 0.02 -0.36 0.00 -1.65 0.00 0.00 29.97 29.10 3ek5 h ARG 7 CO 0.18 1.02 -0.83 0.50 0.56 0.00 0.00 179.97 181.40 3ek5 s ARG 8 N -2.25 2.53 0.24 0.04 3.52 -1.26 -0.49 118.95 121.27 3ek5 s ARG 8 Ca -0.19 -1.00 0.09 0.00 -0.13 0.00 0.00 55.73 54.50 3ek5 s ARG 8 Cb -0.02 -2.64 -0.05 0.00 -1.56 0.00 0.00 34.95 30.69 3ek5 s ARG 8 CO 0.69 -0.38 -0.16 0.96 -0.81 0.00 0.00 175.30 175.61 3ek5 s ILE 9 N 1.25 2.02 -0.20 4.11 -4.36 -0.45 0.11 121.20 123.69 3ek5 s ILE 9 Ca -0.01 -2.28 0.00 0.00 -0.26 0.00 0.00 60.65 58.11 3ek5 s ILE 9 Cb -0.16 -2.19 0.05 0.00 1.25 0.00 0.00 42.46 41.41 3ek5 s ILE 9 CO -0.09 -0.49 -0.07 -0.22 0.24 0.00 0.00 174.94 174.31 3ek5 s LEU 10 N -3.41 2.13 -0.25 0.37 1.98 -0.73 -0.88 118.68 117.89 3ek5 s LEU 10 Ca 0.26 -0.89 -0.10 0.00 -2.89 0.00 0.00 54.13 50.51 3ek5 s LEU 10 Cb -0.02 -1.11 -0.05 0.00 0.66 0.00 0.00 46.19 45.67 3ek5 s LEU 10 CO 0.10 -0.18 0.15 -0.22 -1.89 0.00 0.00 176.35 174.31 3ek5 s LEU 11 N 1.47 3.96 -0.16 -0.68 2.96 0.09 -0.49 118.68 125.83 3ek5 s LEU 11 Ca -0.02 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.90 3ek5 s LEU 11 Cb -0.17 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 3ek5 s LEU 11 CO -0.08 0.03 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.14 3ek5 s LYS 12 N 1.27 3.43 0.24 1.98 2.36 0.16 -1.33 119.74 127.84 3ek5 s LYS 12 Ca 0.07 -0.64 0.11 0.00 -2.55 0.00 0.00 55.97 52.96 3ek5 s LYS 12 Cb -0.14 -2.79 -0.05 0.00 -1.05 0.00 0.00 37.83 33.80 3ek5 s LYS 12 CO 0.06 0.09 -0.17 -0.51 1.55 0.00 0.00 175.35 176.38 3ek5 s LEU 13 N 0.69 2.70 0.19 5.43 1.02 0.22 -1.94 118.68 126.99 3ek5 s LEU 13 Ca -0.04 -0.85 -0.08 0.00 0.02 0.00 0.00 54.13 53.18 3ek5 s LEU 13 Cb -0.15 -1.31 0.09 0.00 0.02 0.00 0.00 46.19 44.85 3ek5 s LEU 13 CO 0.02 0.07 1.64 -1.28 0.02 0.00 0.00 176.35 176.82 3ek5 h SER 14 N 2.60 1.01 0.00 2.29 0.87 -1.87 -1.42 113.55 117.02 3ek5 h SER 14 Ca -0.44 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 59.82 3ek5 h SER 14 Cb 1.23 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 3ek5 h SER 14 CO 0.55 1.09 0.00 0.61 -0.53 0.00 0.00 176.83 178.55 3ek5 n GLY 15 N -0.37 2.39 0.37 5.77 0.00 -1.26 -3.22 105.19 108.88 3ek5 n GLY 15 Ca 0.02 -0.73 0.19 0.00 0.00 0.00 0.00 46.02 45.50 3ek5 n GLY 15 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3ek5 h GLU 16 N 0.00 0.08 -0.18 1.61 9.09 -1.87 0.32 114.58 123.63 3ek5 h GLU 16 Ca 0.00 -0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.46 3ek5 h GLU 16 Cb 0.00 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.08 3ek5 h GLU 16 CO 0.00 0.05 0.50 0.00 0.05 0.00 0.00 179.01 179.61 3ek5 h ALA 17 N 1.73 1.74 0.00 1.06 0.00 -1.95 0.76 119.26 122.60 3ek5 h ALA 17 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ek5 h ALA 17 Cb 0.92 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3ek5 h ALA 17 CO -0.02 -0.59 -0.23 1.28 0.00 0.00 0.00 179.25 179.69 3ek5 n LEU 18 N -3.10 0.26 -0.01 0.00 4.77 0.11 -4.22 117.00 114.82 3ek5 n LEU 18 Ca 0.02 0.29 -0.18 0.00 -0.03 0.00 0.00 56.01 56.11 3ek5 n LEU 18 Cb 0.59 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 3ek5 n LEU 18 CO 0.16 0.04 0.22 0.24 -1.33 0.00 0.00 177.39 176.73 3ek5 h MET 19 N 0.00 0.74 0.00 3.23 2.86 0.45 0.20 114.93 122.41 3ek5 h MET 19 Ca 0.00 -0.66 0.00 0.00 -2.06 0.00 0.00 59.70 56.98 3ek5 h MET 19 Cb 0.52 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3ek5 h MET 19 CO 0.00 1.26 0.00 0.41 1.06 0.00 0.00 176.91 179.64 3ek5 n GLY 20 N 0.82 2.13 0.00 8.32 0.00 -1.25 -2.39 105.19 112.83 3ek5 n GLY 20 Ca -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3ek5 n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ek5 n ASP 21 N 5.63 0.01 -4.99 1.61 10.43 -1.26 -4.85 116.55 123.13 3ek5 n ASP 21 Ca 0.00 -1.93 -0.19 0.00 2.57 0.00 0.00 54.79 55.23 3ek5 n ASP 21 Cb 0.00 -0.00 0.01 0.00 1.84 0.00 0.00 41.12 42.97 3ek5 n ASP 21 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3ek5 s GLY 22 N -1.03 1.79 0.00 0.44 0.00 -1.00 -5.01 107.32 102.51 3ek5 s GLY 22 Ca 0.00 -1.47 0.19 0.00 0.00 0.00 0.00 44.72 43.44 3ek5 s GLY 22 CO 0.00 -1.29 1.20 1.22 0.00 0.00 0.00 173.10 174.23 3ek5 n ASP 23 N -1.94 2.87 -3.65 1.64 8.00 -1.26 -4.90 116.55 117.31 3ek5 n ASP 23 Ca 0.05 -1.85 -0.06 0.00 0.71 0.00 0.00 54.79 53.64 3ek5 n ASP 23 Cb 0.59 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 3ek5 n ASP 23 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3ek5 s TYR 24 N -1.45 -0.25 0.00 1.24 -0.85 -1.26 -5.04 117.35 109.75 3ek5 s TYR 24 Ca 0.27 -0.00 0.00 0.00 -0.52 0.00 0.00 57.07 56.82 3ek5 s TYR 24 Cb 0.17 0.60 0.00 0.00 0.38 0.00 0.00 41.96 43.12 3ek5 s TYR 24 CO 0.25 -0.77 0.00 0.41 -1.52 0.00 0.00 175.55 173.92 3ek5 n GLY 25 N -0.38 0.50 2.94 5.49 0.00 -0.17 -4.76 105.19 108.81 3ek5 n GLY 25 Ca -0.08 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 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 1.08 -0.31 -0.61 1.01 -1.26 -3.91 121.20 117.20 3ek5 s ILE 26 Ca 0.00 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.01 3ek5 s ILE 26 Cb 0.00 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.42 3ek5 s ILE 26 CO 0.00 0.37 1.20 -0.62 0.00 0.00 0.00 174.94 175.89 3ek5 s ASP 27 N 1.42 6.80 0.63 3.58 -1.08 0.71 -4.93 116.67 123.80 3ek5 s ASP 27 Ca -0.00 1.14 0.39 0.00 -0.52 0.00 0.00 52.55 53.56 3ek5 s ASP 27 Cb -0.13 -2.54 2.16 0.00 -1.46 0.00 0.00 42.92 40.94 3ek5 s ASP 27 CO -0.05 -0.99 2.30 1.55 0.52 0.00 0.00 175.17 178.51 3ek5 h PRO 28 N 8.72 0.00 0.32 4.34 0.13 -1.91 -1.84 132.00 141.75 3ek5 h PRO 28 Ca -0.24 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.88 3ek5 h PRO 28 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3ek5 h PRO 28 CO 1.03 0.01 -0.15 0.87 -0.23 0.00 0.00 178.00 179.53 3ek5 h LYS 29 N 0.00 -0.41 0.00 0.86 1.79 -1.95 -2.39 116.57 114.48 3ek5 h LYS 29 Ca -0.00 0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3ek5 h LYS 29 Cb 0.05 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 3ek5 h LYS 29 CO 0.00 -0.12 -0.02 0.28 -1.08 0.00 0.00 179.45 178.52 3ek5 h VAL 30 N -0.70 1.01 0.07 0.50 2.07 -1.66 -2.22 116.25 115.32 3ek5 h VAL 30 Ca -0.04 -0.07 -0.24 0.00 0.82 0.00 0.00 66.70 67.17 3ek5 h VAL 30 Cb 0.48 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3ek5 h VAL 30 CO 0.07 0.02 -1.11 -0.29 0.02 0.00 0.00 177.57 176.28 3ek5 h ILE 31 N 0.00 1.58 -0.02 4.57 2.10 -1.43 -3.05 117.51 121.26 3ek5 h ILE 31 Ca -0.00 -3.16 -0.25 0.00 1.08 0.00 0.00 64.86 62.53 3ek5 h ILE 31 Cb 0.03 2.86 0.02 0.00 -1.09 0.00 0.00 36.82 38.64 3ek5 h ILE 31 CO 0.00 0.91 -0.99 0.78 -1.08 0.00 0.00 178.15 177.78 3ek5 h ASN 32 N 0.05 0.85 1.29 2.19 -0.26 -0.86 -1.41 115.58 117.42 3ek5 h ASN 32 Ca -0.08 -0.66 -0.06 0.00 -0.56 0.00 0.00 56.30 54.95 3ek5 h ASN 32 Cb 1.85 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 38.84 3ek5 h ASN 32 CO 0.17 1.46 -0.27 0.08 -1.06 0.00 0.00 177.43 177.81 3ek5 h ARG 33 N 0.39 0.00 0.09 0.81 -0.00 -1.62 -1.76 114.38 112.28 3ek5 h ARG 33 Ca -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.87 3ek5 h ARG 33 Cb 1.63 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.60 3ek5 h ARG 33 CO 0.19 0.27 -0.04 1.25 -0.00 0.00 0.00 179.97 181.64 3ek5 h LEU 34 N 0.00 -0.10 -0.64 0.08 5.85 -1.50 -0.89 115.31 118.11 3ek5 h LEU 34 Ca -0.00 -0.42 0.13 0.00 0.84 0.00 0.00 57.88 58.43 3ek5 h LEU 34 Cb 0.99 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.92 3ek5 h LEU 34 CO 0.03 0.39 -0.13 0.00 -0.34 0.00 0.00 178.44 178.40 3ek5 h ALA 35 N 0.20 0.47 -0.16 1.25 0.00 -1.15 -0.42 119.26 119.45 3ek5 h ALA 35 Ca -0.01 0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3ek5 h ALA 35 Cb 0.51 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3ek5 h ALA 35 CO 0.02 -0.42 -0.28 1.25 0.00 0.00 0.00 179.25 179.82 3ek5 h HIS 36 N 0.02 -0.76 -0.52 0.00 -0.00 -1.26 0.14 115.15 112.78 3ek5 h HIS 36 Ca 0.32 0.04 0.09 0.00 -0.00 0.00 0.00 60.37 60.81 3ek5 h HIS 36 Cb 0.49 0.36 -0.07 0.00 -0.00 0.00 0.00 27.41 28.19 3ek5 h HIS 36 CO -0.49 -0.36 0.09 0.93 -0.00 0.00 0.00 177.93 178.11 3ek5 h GLU 37 N -0.34 0.22 -0.31 5.26 4.39 -0.07 0.90 114.58 124.63 3ek5 h GLU 37 Ca 0.11 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 3ek5 h GLU 37 Cb 0.50 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3ek5 h GLU 37 CO -0.35 0.15 0.14 0.28 -1.16 0.00 0.00 179.01 178.07 3ek5 h VAL 38 N 0.23 1.16 -0.61 3.13 2.07 -0.30 -1.37 116.25 120.57 3ek5 h VAL 38 Ca 0.26 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3ek5 h VAL 38 Cb 0.37 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3ek5 h VAL 38 CO -0.35 0.17 0.21 0.40 0.02 0.00 0.00 177.57 178.02 3ek5 h ILE 39 N 0.37 1.22 -0.00 4.57 1.08 -0.37 0.36 117.51 124.74 3ek5 h ILE 39 Ca 0.11 -0.74 -0.00 0.00 -0.39 0.00 0.00 64.86 63.84 3ek5 h ILE 39 Cb 0.13 0.53 -0.00 0.00 -3.07 0.00 0.00 36.82 34.41 3ek5 h ILE 39 CO -0.01 0.29 0.00 -0.08 -0.69 0.00 0.00 178.15 177.66 3ek5 h GLU 40 N 0.88 0.00 -0.58 2.37 4.81 -0.63 0.11 114.58 121.55 3ek5 h GLU 40 Ca 0.20 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.51 3ek5 h GLU 40 Cb 0.21 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3ek5 h GLU 40 CO -0.01 0.21 0.38 0.00 -0.73 0.00 0.00 179.01 178.86 3ek5 h ALA 41 N 0.80 1.92 0.14 2.92 0.00 -0.73 -1.85 119.26 122.46 3ek5 h ALA 41 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ek5 h ALA 41 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ek5 h ALA 41 CO -0.00 -0.03 -0.07 0.37 0.00 0.00 0.00 179.25 179.52 3ek5 h GLN 42 N 0.47 -0.19 0.00 0.00 5.75 -0.59 -2.86 115.11 117.69 3ek5 h GLN 42 Ca 0.26 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.77 3ek5 h GLN 42 Cb 0.40 0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.99 3ek5 h GLN 42 CO -0.07 0.12 0.00 1.04 -2.65 0.00 0.00 178.83 177.27 3ek5 n GLN 43 N -5.03 0.42 -0.07 1.69 6.02 0.35 -1.16 117.38 119.60 3ek5 n GLN 43 Ca -0.09 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.95 3ek5 n GLN 43 Cb 0.21 -1.23 0.08 0.00 1.02 0.00 0.00 30.24 30.32 3ek5 n GLN 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ek5 n ALA 44 N -0.73 2.32 0.00 -1.58 0.00 -1.07 -4.98 120.51 114.46 3ek5 n ALA 44 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3ek5 n ALA 44 Cb 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 0.40 0.23 3.77 0.00 0.00 -0.31 -4.14 105.19 105.14 3ek5 n GLY 45 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 3.06 -0.30 4.61 0.00 -1.09 -4.97 121.76 121.07 3ek5 s ALA 46 Ca 0.00 0.93 -0.13 0.00 0.00 0.00 0.00 51.96 52.76 3ek5 s ALA 46 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 3ek5 s ALA 46 CO 0.00 -0.56 0.28 -0.65 0.00 0.00 0.00 175.76 174.83 3ek5 s GLN 47 N -2.51 3.82 -0.16 0.00 -0.21 0.36 -4.49 119.66 116.47 3ek5 s GLN 47 Ca 0.60 -0.30 -0.01 0.00 0.02 0.00 0.00 55.36 55.67 3ek5 s GLN 47 Cb -0.29 -3.71 -0.01 0.00 1.00 0.00 0.00 33.01 30.00 3ek5 s GLN 47 CO 0.36 -0.31 -0.10 0.08 -2.12 0.00 0.00 175.29 173.19 3ek5 s VAL 48 N 1.88 3.14 -0.05 1.09 1.01 -1.26 -1.34 120.40 124.87 3ek5 s VAL 48 Ca 0.10 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3ek5 s VAL 48 Cb -0.16 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 3ek5 s VAL 48 CO 0.11 0.49 -0.21 0.00 0.00 0.00 0.00 175.10 175.49 3ek5 s ALA 49 N 0.72 2.34 0.06 5.51 0.00 -0.06 -1.92 121.76 128.42 3ek5 s ALA 49 Ca -0.05 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 50.93 3ek5 s ALA 49 Cb -0.15 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 3ek5 s ALA 49 CO 0.02 0.47 -0.13 -0.48 0.00 0.00 0.00 175.76 175.63 3ek5 s LEU 50 N -0.39 2.26 -0.05 0.00 0.05 0.31 -0.73 118.68 120.12 3ek5 s LEU 50 Ca 0.03 -0.58 0.00 0.00 0.05 0.00 0.00 54.13 53.64 3ek5 s LEU 50 Cb -0.12 -0.48 0.02 0.00 -2.05 0.00 0.00 46.19 43.56 3ek5 s LEU 50 CO 0.02 -0.08 -0.04 -0.69 -0.55 0.00 0.00 176.35 175.01 3ek5 s VAL 51 N -1.21 0.55 -0.05 1.48 1.01 -0.44 -1.46 120.40 120.28 3ek5 s VAL 51 Ca -0.02 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.90 3ek5 s VAL 51 Cb -0.10 -0.60 -0.00 0.00 0.00 0.00 0.00 36.38 35.68 3ek5 s VAL 51 CO 0.02 0.24 -0.17 -0.63 0.00 0.00 0.00 175.10 174.57 3ek5 s ILE 52 N 1.17 1.41 0.93 2.22 1.01 -1.26 -0.61 121.20 126.08 3ek5 s ILE 52 Ca -0.07 -0.70 -0.16 0.00 0.00 0.00 0.00 60.65 59.73 3ek5 s ILE 52 Cb -0.14 -1.22 0.23 0.00 0.01 0.00 0.00 42.46 41.34 3ek5 s ILE 52 CO -0.01 0.41 0.86 0.61 0.00 0.00 0.00 174.94 176.80 3ek5 n GLY 53 N 3.23 -2.61 0.10 6.18 0.00 -0.53 -4.82 105.19 106.74 3ek5 n GLY 53 Ca -0.19 -1.50 0.03 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.00 3.46 0.30 -0.02 0.00 -1.26 -4.28 105.19 100.39 3ek5 n GLY 54 Ca 0.12 -0.34 0.17 0.00 0.00 0.00 0.00 46.02 45.97 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 0.24 0.00 2.00 -0.02 0.00 -1.85 0.25 103.07 103.69 3ek5 h GLY 55 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3ek5 h GLY 55 CO 0.01 0.00 -0.03 3.45 0.00 0.00 0.00 176.54 179.97 3ek5 h ASN 56 N 0.00 0.00 0.00 0.19 -0.00 -1.86 -3.37 115.58 110.54 3ek5 h ASN 56 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 56.23 3ek5 h ASN 56 Cb 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.48 3ek5 h ASN 56 CO 0.01 0.03 -1.24 -0.38 -0.00 0.00 0.00 177.43 175.84 3ek5 n ILE 57 N -3.16 0.24 -3.00 6.14 5.41 -0.14 -1.00 119.36 123.86 3ek5 n ILE 57 Ca -0.00 -0.08 -0.44 0.00 1.00 0.00 0.00 62.75 63.23 3ek5 n ILE 57 Cb 0.26 -1.13 -0.00 0.00 -0.71 0.00 0.00 39.64 38.06 3ek5 n ILE 57 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 3ek5 s PHE 58 N -2.08 3.60 0.24 1.39 2.19 -0.11 -4.90 117.98 118.32 3ek5 s PHE 58 Ca -0.06 -2.20 -0.16 0.00 0.33 0.00 0.00 56.93 54.84 3ek5 s PHE 58 Cb 0.02 -4.25 0.01 0.00 -1.31 0.00 0.00 43.02 37.49 3ek5 s PHE 58 CO 0.09 -1.34 0.54 -0.98 1.83 0.00 0.00 175.22 175.36 3ek5 s ARG 59 N 1.21 1.57 0.00 10.12 1.70 -1.26 -4.58 118.95 127.71 3ek5 s ARG 59 Ca 0.41 -1.12 0.00 0.00 -0.47 0.00 0.00 55.73 54.55 3ek5 s ARG 59 Cb -0.04 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 3ek5 s ARG 59 CO -0.01 -0.67 0.00 0.41 -1.08 0.00 0.00 175.30 173.94 3ek5 n GLY 60 N -0.39 -2.22 0.55 3.88 0.00 -1.26 -4.11 105.19 101.64 3ek5 n GLY 60 Ca -0.04 -1.06 0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 3.08 -0.17 4.61 0.00 -2.00 0.50 119.26 125.28 3ek5 h ALA 61 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3ek5 h ALA 61 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ek5 h ALA 61 CO 0.00 -1.80 -0.05 0.78 0.00 0.00 0.00 179.25 178.17 3ek5 h GLY 62 N 0.00 0.36 0.00 0.00 0.00 -1.99 -2.90 103.07 98.54 3ek5 h GLY 62 Ca 0.55 -0.31 -0.22 0.00 0.00 0.00 0.00 47.33 47.35 3ek5 h GLY 62 CO -0.01 0.28 -1.45 1.04 0.00 0.00 0.00 176.54 176.41 3ek5 n LEU 63 N -4.65 1.89 -2.36 3.11 4.32 0.16 -4.48 117.00 114.99 3ek5 n LEU 63 Ca -0.05 0.43 -0.25 0.00 -0.02 0.00 0.00 56.01 56.11 3ek5 n LEU 63 Cb 0.28 -0.86 -0.03 0.00 -1.62 0.00 0.00 43.42 41.19 3ek5 n LEU 63 CO 0.38 0.12 1.50 0.00 -1.22 0.00 0.00 177.39 178.16 3ek5 n ALA 64 N -3.89 6.15 -1.65 -1.18 0.00 -0.13 -4.88 120.51 114.92 3ek5 n ALA 64 Ca -0.31 -2.77 -0.42 0.00 0.00 0.00 0.00 53.44 49.93 3ek5 n ALA 64 Cb 0.63 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.86 3.17 0.33 0.00 0.00 -1.09 -4.65 121.76 117.66 3ek5 s ALA 65 Ca 0.53 1.05 0.12 0.00 0.00 0.00 0.00 51.96 53.66 3ek5 s ALA 65 Cb 0.36 -3.95 1.02 0.00 0.00 0.00 0.00 23.12 20.54 3ek5 s ALA 65 CO -0.17 -2.16 1.66 1.03 0.00 0.00 0.00 175.76 176.12 3ek5 h SER 66 N 12.70 0.41 -0.11 0.00 0.87 -1.94 -0.39 113.55 125.10 3ek5 h SER 66 Ca -0.45 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 3ek5 h SER 66 Cb 1.24 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 3ek5 h SER 66 CO 0.95 -0.14 0.00 0.61 -0.53 0.00 0.00 176.83 177.72 3ek5 n GLY 67 N -1.31 -0.30 3.83 5.77 0.00 -1.26 -4.93 105.19 106.99 3ek5 n GLY 67 Ca 0.30 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3ek5 n GLY 67 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ek5 s MET 68 N -1.86 4.13 0.03 1.61 0.00 -0.16 -4.97 119.30 118.07 3ek5 s MET 68 Ca 0.26 0.92 -0.37 0.00 0.00 0.00 0.00 55.69 56.50 3ek5 s MET 68 Cb 0.13 -2.29 -0.16 0.00 0.00 0.00 0.00 34.83 32.52 3ek5 s MET 68 CO 0.20 0.04 1.50 -3.47 0.00 0.00 0.00 175.02 173.29 3ek5 n ASP 69 N -0.55 2.20 -0.12 1.11 2.03 -1.26 -4.86 116.55 115.10 3ek5 n ASP 69 Ca 0.05 1.09 -0.11 0.00 0.52 0.00 0.00 54.79 56.35 3ek5 n ASP 69 Cb 0.54 -1.24 -0.02 0.00 -0.72 0.00 0.00 41.12 39.67 3ek5 n ASP 69 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3ek5 h ARG 70 N 5.63 0.69 0.38 -0.67 9.65 -1.96 -1.50 114.38 126.59 3ek5 h ARG 70 Ca -0.47 -0.26 -0.00 0.00 -1.10 0.00 0.00 59.98 58.15 3ek5 h ARG 70 Cb 1.31 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.83 3ek5 h ARG 70 CO 0.84 0.84 -0.37 0.28 2.80 0.00 0.00 179.97 184.36 3ek5 h VAL 71 N 0.49 0.24 0.00 0.20 2.07 -1.99 0.57 116.25 117.83 3ek5 h VAL 71 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3ek5 h VAL 71 Cb 0.57 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3ek5 h VAL 71 CO 0.03 0.00 -0.05 0.71 0.02 0.00 0.00 177.57 178.28 3ek5 h THR 72 N -0.77 0.31 -0.10 2.57 1.35 -1.92 0.12 112.91 114.47 3ek5 h THR 72 Ca -0.03 -0.30 -0.15 0.00 -0.55 0.00 0.00 66.41 65.38 3ek5 h THR 72 Cb 0.69 1.23 0.01 0.00 -1.73 0.00 0.00 68.15 68.34 3ek5 h THR 72 CO -0.06 0.05 -0.52 1.23 -0.25 0.00 0.00 175.52 175.97 3ek5 h GLY 73 N 0.68 0.59 1.48 5.82 0.00 -0.78 -1.97 103.07 108.88 3ek5 h GLY 73 Ca -0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 3ek5 h GLY 73 CO 0.01 0.74 0.29 -0.55 0.00 0.00 0.00 176.54 177.03 3ek5 h ASP 74 N 0.13 0.61 -0.20 0.19 3.45 0.34 -0.81 116.42 120.13 3ek5 h ASP 74 Ca -0.04 -0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.37 3ek5 h ASP 74 Cb 1.17 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.78 3ek5 h ASP 74 CO 0.11 0.48 0.04 0.45 -1.57 0.00 0.00 179.24 178.75 3ek5 h HIS 75 N 0.70 0.35 -0.92 4.55 3.86 -0.96 -0.22 115.15 122.51 3ek5 h HIS 75 Ca 0.18 -0.05 0.10 0.00 -1.16 0.00 0.00 60.37 59.45 3ek5 h HIS 75 Cb -0.01 -0.10 -0.08 0.00 1.06 0.00 0.00 27.41 28.29 3ek5 h HIS 75 CO 0.00 0.46 0.56 0.52 0.86 0.00 0.00 177.93 180.34 3ek5 h MET 76 N 0.13 0.91 -0.32 2.45 2.86 -0.96 -1.17 114.93 118.84 3ek5 h MET 76 Ca 0.06 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3ek5 h MET 76 Cb 0.30 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3ek5 h MET 76 CO 0.00 0.60 0.16 0.78 1.06 0.00 0.00 176.91 179.51 3ek5 h GLY 77 N 0.94 0.48 0.83 8.32 0.00 -0.86 -0.72 103.07 112.06 3ek5 h GLY 77 Ca 0.44 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.59 3ek5 h GLY 77 CO -0.24 0.22 0.64 -0.33 0.00 0.00 0.00 176.54 176.83 3ek5 h MET 78 N 0.38 1.15 -0.42 4.80 2.86 -0.34 -0.55 114.93 122.80 3ek5 h MET 78 Ca 0.11 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.57 3ek5 h MET 78 Cb 0.10 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 3ek5 h MET 78 CO -0.01 0.76 -0.18 -0.07 1.06 0.00 0.00 176.91 178.47 3ek5 h LEU 79 N 1.18 0.88 -0.87 1.22 3.38 -0.82 -2.25 115.31 118.03 3ek5 h LEU 79 Ca 0.41 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 58.07 3ek5 h LEU 79 Cb 0.10 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 3ek5 h LEU 79 CO -0.15 1.08 0.52 0.00 0.09 0.00 0.00 178.44 179.98 3ek5 h ALA 80 N 0.83 1.24 0.00 1.53 0.00 -0.39 -1.12 119.26 121.36 3ek5 h ALA 80 Ca 0.10 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ek5 h ALA 80 Cb 0.73 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3ek5 h ALA 80 CO 0.06 0.18 -0.15 1.79 0.00 0.00 0.00 179.25 181.13 3ek5 h THR 81 N 0.89 0.65 -0.34 0.00 1.35 -0.56 -1.32 112.91 113.58 3ek5 h THR 81 Ca 0.41 -0.62 -0.15 0.00 -0.55 0.00 0.00 66.41 65.49 3ek5 h THR 81 Cb 0.32 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3ek5 h THR 81 CO -0.23 0.14 -0.39 0.58 -0.25 0.00 0.00 175.52 175.37 3ek5 h VAL 82 N 0.00 1.28 0.20 6.82 2.07 -0.76 -1.39 116.25 124.47 3ek5 h VAL 82 Ca -0.00 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.95 3ek5 h VAL 82 Cb 0.38 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3ek5 h VAL 82 CO 0.02 0.52 -0.18 0.40 0.02 0.00 0.00 177.57 178.34 3ek5 h ILE 83 N 0.65 0.60 -0.28 4.57 2.04 -0.59 0.20 117.51 124.69 3ek5 h ILE 83 Ca 0.05 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.97 3ek5 h ILE 83 Cb 0.99 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.59 3ek5 h ILE 83 CO 0.09 0.00 -0.21 0.78 0.00 0.00 0.00 178.15 178.81 3ek5 h ASN 84 N -0.41 -0.69 -0.57 1.72 -0.26 -1.28 -1.28 115.58 112.81 3ek5 h ASN 84 Ca -0.00 0.14 0.10 0.00 -0.56 0.00 0.00 56.30 55.98 3ek5 h ASN 84 Cb 0.38 0.34 -0.08 0.00 -1.06 0.00 0.00 38.32 37.90 3ek5 h ASN 84 CO -0.03 -0.25 0.13 0.00 -1.06 0.00 0.00 177.43 176.22 3ek5 h ALA 85 N 0.93 0.67 -0.21 -0.83 0.00 -0.87 -0.64 119.26 118.31 3ek5 h ALA 85 Ca 0.15 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3ek5 h ALA 85 Cb 0.43 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ek5 h ALA 85 CO -0.40 -0.29 0.14 -0.07 0.00 0.00 0.00 179.25 178.63 3ek5 h LEU 86 N 0.27 0.23 0.11 0.00 4.07 0.13 -0.98 115.31 119.13 3ek5 h LEU 86 Ca 0.29 -0.01 -0.30 0.00 0.08 0.00 0.00 57.88 57.95 3ek5 h LEU 86 Cb 0.42 -0.06 0.03 0.00 1.08 0.00 0.00 40.66 42.13 3ek5 h LEU 86 CO -0.37 0.16 -1.24 0.00 -1.08 0.00 0.00 178.44 175.92 3ek5 h ALA 87 N 1.87 0.00 0.20 1.53 0.00 -0.09 -2.77 119.26 120.00 3ek5 h ALA 87 Ca 0.08 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 3ek5 h ALA 87 Cb -0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ek5 h ALA 87 CO -0.02 0.69 -0.14 0.52 0.00 0.00 0.00 179.25 180.30 3ek5 h MET 88 N 0.29 -0.33 -0.91 0.00 2.86 -0.84 -2.02 114.93 113.98 3ek5 h MET 88 Ca -0.19 0.02 0.25 0.00 -2.06 0.00 0.00 59.70 57.73 3ek5 h MET 88 Cb 1.90 0.08 -0.14 0.00 0.06 0.00 0.00 31.60 33.50 3ek5 h MET 88 CO 0.24 -0.22 0.34 0.37 1.06 0.00 0.00 176.91 178.69 3ek5 h GLN 89 N -0.35 0.26 -0.59 1.72 4.15 -1.26 0.50 115.11 119.55 3ek5 h GLN 89 Ca -0.01 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.29 3ek5 h GLN 89 Cb 0.30 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 3ek5 h GLN 89 CO -0.00 0.17 -0.04 0.22 -1.93 0.00 0.00 178.83 177.25 3ek5 h ASP 90 N 0.27 1.05 -0.06 -0.69 1.82 -1.17 -2.05 116.42 115.59 3ek5 h ASP 90 Ca 0.59 -0.32 -0.24 0.00 -0.39 0.00 0.00 57.03 56.67 3ek5 h ASP 90 Cb 1.22 -0.28 0.01 0.00 0.68 0.00 0.00 39.33 40.96 3ek5 h ASP 90 CO -0.62 1.12 -0.89 0.00 -1.61 0.00 0.00 179.24 177.24 3ek5 h ALA 91 N 0.98 0.25 -0.40 -0.78 0.00 -0.27 -2.01 119.26 117.03 3ek5 h ALA 91 Ca 0.16 -0.64 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 3ek5 h ALA 91 Cb 0.61 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3ek5 h ALA 91 CO 0.04 0.69 -0.33 -0.07 0.00 0.00 0.00 179.25 179.58 3ek5 h LEU 92 N 0.47 0.95 -1.26 0.00 3.38 -1.02 -2.56 115.31 115.27 3ek5 h LEU 92 Ca -0.08 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 3ek5 h LEU 92 Cb 1.53 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 3ek5 h LEU 92 CO 0.18 1.18 -0.32 -0.33 0.09 0.00 0.00 178.44 179.24 3ek5 h GLU 93 N 0.75 0.00 -0.48 1.13 5.08 -1.36 -1.14 114.58 118.56 3ek5 h GLU 93 Ca 0.08 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3ek5 h GLU 93 Cb 0.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 3ek5 h GLU 93 CO 0.08 0.32 0.08 0.87 -1.00 0.00 0.00 179.01 179.37 3ek5 h LYS 94 N 0.00 0.79 0.00 2.33 1.57 -1.06 -1.49 116.57 118.71 3ek5 h LYS 94 Ca -0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3ek5 h LYS 94 Cb 0.69 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3ek5 h LYS 94 CO 0.04 0.79 0.00 1.28 -0.57 0.00 0.00 179.45 180.99 3ek5 n LEU 95 N -4.44 0.00 0.00 2.94 4.77 -0.99 -4.90 117.00 114.38 3ek5 n LEU 95 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3ek5 n LEU 95 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3ek5 n LEU 95 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3ek5 n GLY 96 N 0.38 0.74 3.80 -0.72 0.00 -0.56 -5.06 105.19 103.77 3ek5 n GLY 96 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.73 2.77 -0.17 4.61 0.00 -0.47 -4.95 121.76 120.82 3ek5 s ALA 97 Ca 0.00 0.51 -0.16 0.00 0.00 0.00 0.00 51.96 52.31 3ek5 s ALA 97 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3ek5 s ALA 97 CO 0.00 -0.67 0.39 0.15 0.00 0.00 0.00 175.76 175.63 3ek5 s LYS 98 N -3.73 4.24 -0.01 0.00 -0.14 -1.26 -4.07 119.74 114.77 3ek5 s LYS 98 Ca 0.66 0.23 0.05 0.00 -1.36 0.00 0.00 55.97 55.55 3ek5 s LYS 98 Cb -0.17 -3.48 -0.01 0.00 -1.68 0.00 0.00 37.83 32.49 3ek5 s LYS 98 CO 0.31 0.09 -0.16 0.08 -0.76 0.00 0.00 175.35 174.91 3ek5 s VAL 99 N 0.89 1.28 -0.24 3.17 1.01 -1.26 -0.48 120.40 124.77 3ek5 s VAL 99 Ca 0.20 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3ek5 s VAL 99 Cb -0.14 -1.07 0.07 0.00 0.00 0.00 0.00 36.38 35.23 3ek5 s VAL 99 CO 0.07 0.36 -0.02 -0.13 0.00 0.00 0.00 175.10 175.39 3ek5 s ARG 100 N -0.37 1.37 -0.27 2.72 1.81 0.77 -4.92 118.95 120.05 3ek5 s ARG 100 Ca 0.06 -0.94 -0.21 0.00 -1.72 0.00 0.00 55.73 52.92 3ek5 s ARG 100 Cb -0.06 -2.49 -0.01 0.00 -0.45 0.00 0.00 34.95 31.94 3ek5 s ARG 100 CO -0.01 -0.65 0.69 0.08 -0.68 0.00 0.00 175.30 174.73 3ek5 s VAL 101 N 1.47 4.92 -0.09 3.52 1.01 -1.26 -0.43 120.40 129.54 3ek5 s VAL 101 Ca -0.03 1.13 0.03 0.00 0.00 0.00 0.00 61.98 63.12 3ek5 s VAL 101 Cb -0.18 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.19 3ek5 s VAL 101 CO -0.08 -0.08 -0.19 -0.04 0.00 0.00 0.00 175.10 174.71 3ek5 s MET 102 N 2.66 2.46 0.05 2.72 -1.94 0.65 -2.38 119.30 123.53 3ek5 s MET 102 Ca 0.28 -0.67 0.04 0.00 -1.71 0.00 0.00 55.69 53.63 3ek5 s MET 102 Cb -0.15 -1.92 -0.04 0.00 2.01 0.00 0.00 34.83 34.73 3ek5 s MET 102 CO 0.10 0.10 -0.05 0.45 -0.01 0.00 0.00 175.02 175.62 3ek5 s SER 103 N 0.51 4.74 0.20 3.03 0.15 -0.67 -1.04 113.70 120.62 3ek5 s SER 103 Ca -0.17 -0.20 0.26 0.00 0.70 0.00 0.00 55.95 56.55 3ek5 s SER 103 Cb -0.17 -1.08 0.79 0.00 -1.71 0.00 0.00 66.02 63.84 3ek5 s SER 103 CO 0.06 0.22 1.75 0.00 1.20 0.00 0.00 173.24 176.47 3ek5 n ALA 104 N 1.03 2.33 -2.47 5.45 0.00 -0.10 -1.55 120.51 125.21 3ek5 n ALA 104 Ca -0.13 -0.04 -0.31 0.00 0.00 0.00 0.00 53.44 52.95 3ek5 n ALA 104 Cb 0.52 -1.45 -0.16 0.00 0.00 0.00 0.00 19.45 18.37 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 -3.10 2.20 0.06 0.00 -4.36 -1.26 -4.59 121.20 110.15 3ek5 s ILE 105 Ca 0.10 -1.04 -0.32 0.00 -0.26 0.00 0.00 60.65 59.13 3ek5 s ILE 105 Cb 0.13 -1.79 -0.11 0.00 1.25 0.00 0.00 42.46 41.94 3ek5 s ILE 105 CO 0.60 0.58 1.84 1.17 0.24 0.00 0.00 174.94 179.37 3ek5 n LYS 106 N 2.59 2.56 -2.99 0.37 4.81 -1.26 -4.90 118.16 119.34 3ek5 n LYS 106 Ca -0.17 0.93 -0.14 0.00 -0.87 0.00 0.00 58.31 58.07 3ek5 n LYS 106 Cb 0.51 -2.81 0.02 0.00 0.02 0.00 0.00 35.03 32.77 3ek5 n LYS 106 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3ek5 n ILE 107 N 4.80 -0.12 0.13 3.15 5.41 -1.26 -5.05 119.36 126.43 3ek5 n ILE 107 Ca 0.19 -3.24 0.17 0.00 1.00 0.00 0.00 62.75 60.87 3ek5 n ILE 107 Cb 0.35 0.42 0.75 0.00 -0.71 0.00 0.00 39.64 40.44 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 3.08 0.00 -0.46 4.38 4.21 -1.91 -0.43 115.58 124.45 3ek5 h ASN 108 Ca 0.01 0.00 0.07 0.00 1.21 0.00 0.00 56.30 57.59 3ek5 h ASN 108 Cb 1.02 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 38.16 3ek5 h ASN 108 CO 0.35 0.00 0.11 0.44 -1.29 0.00 0.00 177.43 177.04 3ek5 h ASP 109 N 0.00 0.05 0.26 5.81 5.19 -2.01 -3.32 116.42 122.40 3ek5 h ASP 109 Ca 0.14 0.07 -0.34 0.00 -0.62 0.00 0.00 57.03 56.29 3ek5 h ASP 109 Cb 0.65 0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.22 3ek5 h ASP 109 CO -0.00 0.06 -1.90 0.52 -3.12 0.00 0.00 179.24 174.79 3ek5 n VAL 110 N -5.08 1.70 -3.83 -1.35 0.31 -0.20 -5.00 118.33 104.88 3ek5 n VAL 110 Ca 0.04 -0.71 -0.07 0.00 -0.01 0.00 0.00 64.34 63.59 3ek5 n VAL 110 Cb 0.21 -1.43 0.02 0.00 -0.91 0.00 0.00 33.84 31.72 3ek5 n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ek5 s GLU 112 N -2.46 3.55 0.67 0.00 -1.05 -1.00 -3.81 118.70 114.60 3ek5 s GLU 112 Ca 0.16 0.26 -0.16 0.00 -0.15 0.00 0.00 54.97 55.08 3ek5 s GLU 112 Cb -0.04 -2.34 0.01 0.00 -0.44 0.00 0.00 34.13 31.31 3ek5 s GLU 112 CO 0.09 -0.24 1.20 -0.51 0.95 0.00 0.00 175.26 176.75 3ek5 s ASP 113 N -4.10 4.66 -0.21 0.83 1.11 -1.26 -1.67 116.67 116.03 3ek5 s ASP 113 Ca 0.48 2.34 -0.28 0.00 0.18 0.00 0.00 52.55 55.27 3ek5 s ASP 113 Cb -0.10 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.30 3ek5 s ASP 113 CO 0.46 -1.95 0.98 0.12 1.18 0.00 0.00 175.17 175.96 3ek5 s PHE 114 N -1.87 3.36 -0.09 4.23 5.36 -0.59 -4.58 117.98 123.80 3ek5 s PHE 114 Ca 0.75 1.41 -0.01 0.00 -0.96 0.00 0.00 56.93 58.12 3ek5 s PHE 114 Cb -0.29 -3.20 0.03 0.00 -0.34 0.00 0.00 43.02 39.22 3ek5 s PHE 114 CO 0.40 -0.41 -0.02 0.42 -1.46 0.00 0.00 175.22 174.16 3ek5 s ILE 115 N 2.89 0.56 0.21 3.12 1.01 -1.26 -5.00 121.20 122.72 3ek5 s ILE 115 Ca 0.42 -0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.93 3ek5 s ILE 115 Cb -0.16 -0.70 0.18 0.00 0.01 0.00 0.00 42.46 41.79 3ek5 s ILE 115 CO 0.08 0.26 1.67 -0.09 0.00 0.00 0.00 174.94 176.86 3ek5 h ARG 116 N 8.28 0.13 -0.48 2.79 2.43 -1.97 0.96 114.38 126.53 3ek5 h ARG 116 Ca -0.22 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.89 3ek5 h ARG 116 Cb 1.13 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 3ek5 h ARG 116 CO 0.30 0.09 0.06 0.00 -1.51 0.00 0.00 179.97 178.91 3ek5 h ARG 117 N 0.13 0.75 -0.19 0.20 3.08 -1.96 -0.88 114.38 115.51 3ek5 h ARG 117 Ca 0.31 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 3ek5 h ARG 117 Cb 0.50 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3ek5 h ARG 117 CO -0.49 0.72 -0.00 0.00 -1.07 0.00 0.00 179.97 179.12 3ek5 h ARG 118 N 0.72 0.34 -0.65 0.04 3.08 -1.39 -2.24 114.38 114.28 3ek5 h ARG 118 Ca 0.15 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 60.15 3ek5 h ARG 118 Cb 0.35 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 3ek5 h ARG 118 CO 0.01 0.55 0.36 0.00 -1.07 0.00 0.00 179.97 179.81 3ek5 h ALA 119 N 0.78 0.87 -0.35 0.04 0.00 -0.77 0.06 119.26 119.89 3ek5 h ALA 119 Ca 0.05 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3ek5 h ALA 119 Cb 0.39 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3ek5 h ALA 119 CO 0.01 0.04 0.13 0.82 0.00 0.00 0.00 179.25 180.25 3ek5 h ILE 120 N 0.67 0.92 -0.19 0.00 1.08 -1.11 -1.89 117.51 116.99 3ek5 h ILE 120 Ca 0.29 -0.10 0.02 0.00 -0.39 0.00 0.00 64.86 64.68 3ek5 h ILE 120 Cb 0.17 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 3ek5 h ILE 120 CO -0.18 0.05 0.07 -0.09 -0.69 0.00 0.00 178.15 177.31 3ek5 h ARG 121 N 0.29 0.15 -0.85 2.37 9.65 -0.77 -0.48 114.38 124.74 3ek5 h ARG 121 Ca 0.15 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 59.11 3ek5 h ARG 121 Cb 0.11 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.60 3ek5 h ARG 121 CO -0.15 0.10 0.55 0.45 2.80 0.00 0.00 179.97 183.73 3ek5 h HIS 122 N 0.16 0.90 -0.00 2.20 3.86 -0.88 -1.41 115.15 119.97 3ek5 h HIS 122 Ca 0.08 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.18 3ek5 h HIS 122 Cb 0.05 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.21 3ek5 h HIS 122 CO -0.12 0.43 -0.67 -0.07 0.86 0.00 0.00 177.93 178.36 3ek5 h LEU 123 N 0.85 0.00 -0.64 2.43 3.38 -0.42 -1.81 115.31 119.10 3ek5 h LEU 123 Ca 0.39 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.29 3ek5 h LEU 123 Cb 0.37 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3ek5 h LEU 123 CO -0.15 0.67 -0.31 -0.33 0.09 0.00 0.00 178.44 178.41 3ek5 h GLU 124 N 0.00 0.00 -0.40 1.13 5.08 -0.13 -3.02 114.58 117.24 3ek5 h GLU 124 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3ek5 h GLU 124 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3ek5 h GLU 124 CO 0.09 0.31 0.00 1.63 -1.00 0.00 0.00 179.01 180.04 3ek5 n LYS 125 N -3.33 2.02 -0.77 2.33 5.02 -0.64 -4.93 118.16 117.86 3ek5 n LYS 125 Ca 0.01 -1.57 0.00 0.00 -2.02 0.00 0.00 58.31 54.73 3ek5 n LYS 125 Cb 0.55 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 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 1.22 0.59 3.84 0.72 0.00 -1.14 -5.05 105.19 105.37 3ek5 n GLY 126 Ca 0.15 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.64 4.02 -0.10 1.61 0.52 -0.70 -4.75 118.95 118.92 3ek5 s ARG 127 Ca 0.00 0.79 -0.25 0.00 -0.52 0.00 0.00 55.73 55.75 3ek5 s ARG 127 Cb 0.00 -2.33 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 3ek5 s ARG 127 CO 0.00 0.03 0.80 0.42 0.02 0.00 0.00 175.30 176.58 3ek5 s ILE 128 N -2.16 4.95 -0.23 1.52 -1.09 0.37 -4.47 121.20 120.07 3ek5 s ILE 128 Ca 0.56 1.63 -0.15 0.00 -2.23 0.00 0.00 60.65 60.46 3ek5 s ILE 128 Cb -0.10 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.62 3ek5 s ILE 128 CO 0.20 0.14 0.37 0.00 -1.23 0.00 0.00 174.94 174.42 3ek5 s ALA 129 N 1.41 3.57 -0.23 9.38 0.00 -0.81 -0.17 121.76 134.91 3ek5 s ALA 129 Ca 0.40 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 3ek5 s ALA 129 Cb -0.18 -2.65 0.02 0.00 0.00 0.00 0.00 23.12 20.31 3ek5 s ALA 129 CO 0.17 -0.45 -0.07 0.42 0.00 0.00 0.00 175.76 175.83 3ek5 s ILE 130 N 1.63 2.91 -0.20 0.00 1.01 0.43 -0.53 121.20 126.45 3ek5 s ILE 130 Ca 0.17 -0.88 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 3ek5 s ILE 130 Cb -0.15 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 3ek5 s ILE 130 CO 0.08 0.29 0.33 -0.36 0.00 0.00 0.00 174.94 175.29 3ek5 s PHE 131 N 1.36 3.38 0.14 3.97 0.08 -0.53 -0.25 117.98 126.13 3ek5 s PHE 131 Ca 0.02 0.54 0.09 0.00 0.12 0.00 0.00 56.93 57.70 3ek5 s PHE 131 Cb -0.16 -2.44 -0.04 0.00 -0.57 0.00 0.00 43.02 39.82 3ek5 s PHE 131 CO -0.05 0.06 -0.20 0.00 -0.10 0.00 0.00 175.22 174.93 3ek5 s ALA 132 N 1.07 1.98 -0.14 5.36 0.00 -0.20 -4.30 121.76 125.53 3ek5 s ALA 132 Ca 0.16 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.73 3ek5 s ALA 132 Cb -0.14 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.74 3ek5 s ALA 132 CO 0.06 0.32 0.00 0.00 0.00 0.00 0.00 175.76 176.15 3ek5 n ALA 133 N 0.67 -0.03 -0.38 0.00 0.00 -1.26 -0.92 120.51 118.60 3ek5 n ALA 133 Ca -0.16 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3ek5 n ALA 133 Cb 0.55 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.38 2.53 0.19 0.00 0.00 -1.26 -0.89 105.19 103.38 3ek5 n GLY 134 Ca -0.01 0.35 0.10 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 -0.79 2.61 -2.24 -1.26 -4.64 114.28 107.96 3ek5 n THR 135 Ca 0.00 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3ek5 n THR 135 Cb 0.00 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 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 1.44 0.76 3.36 3.38 0.00 -0.07 -4.96 105.19 109.10 3ek5 n GLY 136 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.55 3.21 0.85 1.61 0.02 -1.26 -4.95 114.94 111.86 3ek5 s ASN 137 Ca 0.00 -0.62 -0.11 0.00 -1.02 0.00 0.00 52.86 51.11 3ek5 s ASN 137 Cb 0.00 -0.28 0.10 0.00 0.02 0.00 0.00 41.25 41.09 3ek5 s ASN 137 CO 0.00 0.24 1.09 -2.16 0.02 0.00 0.00 177.10 176.30 3ek5 s PRO 138 N -1.40 1.67 -0.24 -0.60 0.04 -1.26 -3.73 135.00 129.48 3ek5 s PRO 138 Ca 0.12 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.11 3ek5 s PRO 138 Cb -0.10 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3ek5 s PRO 138 CO 0.03 -1.99 0.00 1.19 0.04 0.00 0.00 177.00 176.27 3ek5 n PHE 139 N -3.73 0.00 -5.10 0.56 3.72 -1.26 -5.02 117.46 106.63 3ek5 n PHE 139 Ca 0.08 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.19 3ek5 n PHE 139 Cb 0.54 -0.98 -0.16 0.00 -0.94 0.00 0.00 39.48 37.94 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 -1.82 2.09 0.80 1.38 0.40 -1.24 -5.14 117.98 114.45 3ek5 s PHE 140 Ca 0.00 -0.53 -0.12 0.00 -0.60 0.00 0.00 56.93 55.68 3ek5 s PHE 140 Cb 0.00 -1.37 0.08 0.00 0.51 0.00 0.00 43.02 42.24 3ek5 s PHE 140 CO 0.00 -0.14 1.17 0.95 0.70 0.00 0.00 175.22 177.90 3ek5 s THR 141 N -0.25 2.19 0.21 0.64 -4.23 -1.26 -4.92 115.64 108.02 3ek5 s THR 141 Ca 0.01 0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.49 3ek5 s THR 141 Cb -0.11 -3.04 0.15 0.00 1.34 0.00 0.00 72.50 70.83 3ek5 s THR 141 CO 0.02 -0.08 1.81 0.74 -0.54 0.00 0.00 174.62 176.57 3ek5 h THR 142 N -1.04 1.24 -0.36 3.99 2.02 -2.00 -2.28 112.91 114.48 3ek5 h THR 142 Ca -0.46 -0.64 0.07 0.00 0.77 0.00 0.00 66.41 66.15 3ek5 h THR 142 Cb 1.32 0.26 -0.09 0.00 -1.74 0.00 0.00 68.15 67.90 3ek5 h THR 142 CO 0.65 0.28 -0.35 0.44 0.37 0.00 0.00 175.52 176.91 3ek5 h ASP 143 N 1.07 -1.15 -0.68 4.18 3.45 -1.98 0.37 116.42 121.68 3ek5 h ASP 143 Ca 0.26 0.19 0.15 0.00 0.43 0.00 0.00 57.03 58.06 3ek5 h ASP 143 Cb 0.08 0.52 -0.11 0.00 -0.56 0.00 0.00 39.33 39.26 3ek5 h ASP 143 CO -0.04 -0.34 0.04 0.28 -1.57 0.00 0.00 179.24 177.61 3ek5 h SER 144 N -0.29 -0.24 -0.45 6.45 0.02 -1.83 0.17 113.55 117.38 3ek5 h SER 144 Ca 0.15 0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.23 3ek5 h SER 144 Cb 0.55 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 3ek5 h SER 144 CO -0.52 -0.12 0.14 1.23 -1.14 0.00 0.00 176.83 176.43 3ek5 h GLY 145 N 0.14 0.75 1.01 -3.77 0.00 -0.67 -2.04 103.07 98.49 3ek5 h GLY 145 Ca 0.36 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 3ek5 h GLY 145 CO -0.56 0.42 0.21 0.00 0.00 0.00 0.00 176.54 176.61 3ek5 h ALA 146 N 0.99 0.80 -0.48 3.60 0.00 0.13 -2.02 119.26 122.29 3ek5 h ALA 146 Ca 0.15 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ek5 h ALA 146 Cb 0.26 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3ek5 h ALA 146 CO -0.00 0.45 0.28 0.00 0.00 0.00 0.00 179.25 179.98 3ek5 h ALA 147 N 1.08 0.61 0.60 0.00 0.00 -0.67 -1.41 119.26 119.47 3ek5 h ALA 147 Ca 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ek5 h ALA 147 Cb 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ek5 h ALA 147 CO -0.01 -0.04 -0.47 1.25 0.00 0.00 0.00 179.25 179.99 3ek5 h LEU 148 N 0.55 -1.23 -1.15 0.00 6.46 -1.19 -0.99 115.31 117.76 3ek5 h LEU 148 Ca 0.19 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 58.07 3ek5 h LEU 148 Cb 0.03 0.39 -0.05 0.00 -0.73 0.00 0.00 40.66 40.30 3ek5 h LEU 148 CO -0.10 -0.67 0.58 0.03 -0.62 0.00 0.00 178.44 177.66 3ek5 h ARG 149 N -1.04 1.09 -0.40 1.25 2.47 -1.29 0.28 114.38 116.74 3ek5 h ARG 149 Ca -0.07 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 3ek5 h ARG 149 Cb 0.87 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.92 3ek5 h ARG 149 CO 0.01 0.72 0.21 0.00 0.56 0.00 0.00 179.97 181.48 3ek5 h ALA 150 N 1.48 0.52 0.28 0.04 0.00 -0.98 0.56 119.26 121.15 3ek5 h ALA 150 Ca 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3ek5 h ALA 150 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ek5 h ALA 150 CO -0.10 0.05 -0.14 0.82 0.00 0.00 0.00 179.25 179.89 3ek5 h ILE 151 N 0.52 0.76 -0.98 0.00 2.04 -0.30 0.17 117.51 119.72 3ek5 h ILE 151 Ca 0.14 -0.36 0.16 0.00 1.00 0.00 0.00 64.86 65.80 3ek5 h ILE 151 Cb 0.07 0.96 -0.10 0.00 -0.74 0.00 0.00 36.82 37.02 3ek5 h ILE 151 CO -0.02 0.08 0.59 -0.33 0.00 0.00 0.00 178.15 178.47 3ek5 h GLU 152 N -0.57 0.80 -0.10 2.37 5.08 -0.07 0.17 114.58 122.25 3ek5 h GLU 152 Ca -0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3ek5 h GLU 152 Cb 0.42 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3ek5 h GLU 152 CO 0.06 0.53 0.00 0.44 -1.00 0.00 0.00 179.01 179.05 3ek5 n ILE 153 N -4.73 0.12 -2.49 3.13 -5.35 0.15 -4.92 119.36 105.27 3ek5 n ILE 153 Ca 0.21 -0.31 -0.10 0.00 -0.27 0.00 0.00 62.75 62.28 3ek5 n ILE 153 Cb 0.47 0.42 0.01 0.00 -1.74 0.00 0.00 39.64 38.80 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 1.15 0.06 3.69 3.28 0.00 0.60 -4.96 105.19 109.01 3ek5 n GLY 154 Ca 0.17 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 3ek5 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek5 n ALA 155 N -2.28 1.03 0.25 4.61 0.00 0.56 -4.89 120.51 119.79 3ek5 n ALA 155 Ca -0.07 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.62 3ek5 n ALA 155 Cb 0.57 -2.25 0.09 0.00 0.00 0.00 0.00 19.45 17.86 3ek5 n ALA 155 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3ek5 h ASP 156 N 1.32 0.00 -3.42 0.00 3.32 0.50 -3.47 116.42 114.67 3ek5 h ASP 156 Ca -0.49 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 56.53 3ek5 h ASP 156 Cb 1.32 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.65 3ek5 h ASP 156 CO 0.56 0.02 0.17 -0.22 -1.72 0.00 0.00 179.24 178.05 3ek5 s LEU 157 N -5.30 -0.75 -0.35 1.55 2.96 -1.17 -4.65 118.68 110.97 3ek5 s LEU 157 Ca 0.03 1.33 -0.08 0.00 -0.22 0.00 0.00 54.13 55.19 3ek5 s LEU 157 Cb 0.09 2.29 0.04 0.00 0.50 0.00 0.00 46.19 49.11 3ek5 s LEU 157 CO 0.74 -0.22 0.14 -0.22 -1.32 0.00 0.00 176.35 175.47 3ek5 s LEU 158 N 0.86 4.48 -0.02 -0.68 0.20 -0.37 -1.78 118.68 121.37 3ek5 s LEU 158 Ca -0.04 -1.11 -0.17 0.00 0.69 0.00 0.00 54.13 53.50 3ek5 s LEU 158 Cb -0.05 -1.92 -0.05 0.00 -0.43 0.00 0.00 46.19 43.73 3ek5 s LEU 158 CO -0.08 -0.35 0.48 -0.76 -0.29 0.00 0.00 176.35 175.34 3ek5 s LEU 159 N 1.45 4.42 -0.24 -0.68 1.02 0.36 -1.39 118.68 123.62 3ek5 s LEU 159 Ca -0.00 1.00 0.01 0.00 0.02 0.00 0.00 54.13 55.16 3ek5 s LEU 159 Cb -0.20 -2.72 0.06 0.00 0.02 0.00 0.00 46.19 43.36 3ek5 s LEU 159 CO 0.04 0.20 -0.05 -0.75 0.02 0.00 0.00 176.35 175.81 3ek5 s LYS 160 N -0.50 1.60 -0.03 1.70 2.20 -0.57 -0.67 119.74 123.47 3ek5 s LYS 160 Ca 0.26 -1.00 -0.27 0.00 -0.36 0.00 0.00 55.97 54.61 3ek5 s LYS 160 Cb -0.17 -2.59 -0.03 0.00 -1.51 0.00 0.00 37.83 33.53 3ek5 s LYS 160 CO 0.14 -0.61 0.84 0.00 -0.36 0.00 0.00 175.35 175.36 3ek5 s ALA 161 N 1.40 3.25 0.02 3.13 0.00 -0.82 -1.99 121.76 126.74 3ek5 s ALA 161 Ca -0.05 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.25 3ek5 s ALA 161 Cb -0.19 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 3ek5 s ALA 161 CO -0.06 -0.16 0.01 0.25 0.00 0.00 0.00 175.76 175.80 3ek5 n THR 162 N 3.79 0.00 -0.13 0.00 -2.24 -0.37 -4.47 114.28 110.87 3ek5 n THR 162 Ca 0.02 -0.12 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 3ek5 n THR 162 Cb 0.51 0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.95 -6.19 -0.78 1.79 -1.97 -3.41 116.57 106.96 3ek5 h LYS 163 Ca -0.01 -0.45 -0.51 0.00 -2.18 0.00 0.00 60.65 57.49 3ek5 h LYS 163 Cb 0.06 -0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.65 3ek5 h LYS 163 CO 0.02 1.12 -0.53 0.14 -1.08 0.00 0.00 179.45 179.12 3ek5 s VAL 164 N -4.51 3.91 -1.36 0.50 -7.23 -1.26 -4.95 120.40 105.50 3ek5 s VAL 164 Ca -0.11 -1.51 -0.07 0.00 -1.81 0.00 0.00 61.98 58.48 3ek5 s VAL 164 Cb 0.12 -3.21 0.10 0.00 0.56 0.00 0.00 36.38 33.95 3ek5 s VAL 164 CO 0.87 -0.29 2.32 -0.67 -0.31 0.00 0.00 175.10 177.02 3ek5 n ASP 165 N -1.18 7.22 0.00 4.85 4.64 -1.26 -3.82 116.55 126.99 3ek5 n ASP 165 Ca -0.06 -3.05 0.00 0.00 -1.38 0.00 0.00 54.79 50.30 3ek5 n ASP 165 Cb 0.59 -1.43 0.00 0.00 -1.04 0.00 0.00 41.12 39.24 3ek5 n ASP 165 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3ek5 n GLY 166 N 2.33 0.51 3.64 0.27 0.00 -1.24 -4.26 105.19 106.44 3ek5 n GLY 166 Ca 0.58 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.55 4.99 0.30 1.61 1.01 -1.26 -4.88 120.40 121.61 3ek5 s VAL 167 Ca 0.00 0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.13 3ek5 s VAL 167 Cb 0.00 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 3ek5 s VAL 167 CO 0.00 0.42 -0.14 -0.31 0.00 0.00 0.00 175.10 175.06 3ek5 s TYR 168 N 0.66 2.24 -1.44 5.22 1.51 -1.26 -2.06 117.35 122.22 3ek5 s TYR 168 Ca 0.05 -0.45 0.29 0.00 -1.01 0.00 0.00 57.07 55.95 3ek5 s TYR 168 Cb -0.13 -1.13 1.36 0.00 -0.11 0.00 0.00 41.96 41.96 3ek5 s TYR 168 CO 0.01 0.59 1.96 -0.40 -1.11 0.00 0.00 175.55 176.60 3ek5 n ASP 169 N -0.66 0.17 -3.61 2.29 5.75 -0.96 -4.86 116.55 114.68 3ek5 n ASP 169 Ca -0.05 -0.22 -0.02 0.00 -0.01 0.00 0.00 54.79 54.49 3ek5 n ASP 169 Cb 0.62 -0.22 -0.00 0.00 -1.03 0.00 0.00 41.12 40.49 3ek5 n ASP 169 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3ek5 s LYS 170 N -2.60 0.98 -0.35 0.11 -2.85 -1.26 -4.99 119.74 108.78 3ek5 s LYS 170 Ca 0.27 -0.58 -0.28 0.00 -1.00 0.00 0.00 55.97 54.38 3ek5 s LYS 170 Cb 0.20 0.31 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 3ek5 s LYS 170 CO 0.48 -0.45 1.84 0.34 0.10 0.00 0.00 175.35 177.66 3ek5 s ASP 171 N -3.15 5.79 0.00 0.03 2.15 -1.26 -4.80 116.67 115.42 3ek5 s ASP 171 Ca 0.17 1.24 0.18 0.00 0.43 0.00 0.00 52.55 54.56 3ek5 s ASP 171 Cb -0.00 -2.52 0.79 0.00 -0.30 0.00 0.00 42.92 40.88 3ek5 s ASP 171 CO 0.01 -1.80 1.56 -0.81 -0.17 0.00 0.00 175.17 173.96 3ek5 n PRO 172 N 8.52 0.07 0.14 4.34 -0.04 -1.26 -2.65 135.00 144.12 3ek5 n PRO 172 Ca 0.23 0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.93 3ek5 n PRO 172 Cb 0.47 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.48 3ek5 n PRO 172 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3ek5 h LYS 173 N 0.00 0.00 -0.15 0.54 1.57 -2.02 -3.29 116.57 113.22 3ek5 h LYS 173 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ek5 h LYS 173 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3ek5 h LYS 173 CO 0.00 0.23 0.00 0.36 -0.57 0.00 0.00 179.45 179.47 3ek5 n LYS 174 N -3.05 1.79 -3.56 3.15 2.85 -1.19 -4.95 118.16 113.20 3ek5 n LYS 174 Ca 0.01 -1.51 -0.27 0.00 -1.05 0.00 0.00 58.31 55.49 3ek5 n LYS 174 Cb 0.66 -1.17 -0.16 0.00 -0.65 0.00 0.00 35.03 33.71 3ek5 n LYS 174 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3ek5 s HIS 175 N -0.85 0.19 -0.28 5.58 3.76 -1.08 -4.95 115.29 117.65 3ek5 s HIS 175 Ca 0.13 -0.52 0.27 0.00 -0.15 0.00 0.00 55.06 54.79 3ek5 s HIS 175 Cb 0.07 -0.75 1.10 0.00 1.11 0.00 0.00 32.58 34.11 3ek5 s HIS 175 CO 0.10 -0.67 1.81 0.66 -0.85 0.00 0.00 174.74 175.79 3ek5 h SER 176 N 8.40 0.00 -0.71 1.40 4.64 -1.88 -2.68 113.55 122.72 3ek5 h SER 176 Ca -0.17 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.28 3ek5 h SER 176 Cb 1.09 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.13 3ek5 h SER 176 CO 0.36 0.00 0.47 0.44 -0.87 0.00 0.00 176.83 177.23 3ek5 h ASP 177 N 0.00 0.39 -3.05 4.97 3.32 -1.93 -3.47 116.42 116.66 3ek5 h ASP 177 Ca 0.00 0.02 -0.58 0.00 0.02 0.00 0.00 57.03 56.48 3ek5 h ASP 177 Cb 0.46 -0.06 0.13 0.00 0.22 0.00 0.00 39.33 40.08 3ek5 h ASP 177 CO 0.00 0.22 0.12 0.00 -1.72 0.00 0.00 179.24 177.86 3ek5 n ALA 178 N -2.52 0.07 -3.37 3.45 0.00 -1.01 -4.98 120.51 112.15 3ek5 n ALA 178 Ca 0.13 0.21 -0.36 0.00 0.00 0.00 0.00 53.44 53.41 3ek5 n ALA 178 Cb 0.47 -2.06 -0.13 0.00 0.00 0.00 0.00 19.45 17.72 3ek5 n ALA 178 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ek5 s VAL 179 N -1.31 3.59 -0.03 0.00 1.01 -1.26 -4.98 120.40 117.42 3ek5 s VAL 179 Ca 0.64 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 3ek5 s VAL 179 Cb -0.55 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 3ek5 s VAL 179 CO 0.56 0.14 0.98 -0.60 0.00 0.00 0.00 175.10 176.18 3ek5 s ARG 180 N 1.44 4.52 -0.02 2.72 3.52 -1.26 -2.26 118.95 127.61 3ek5 s ARG 180 Ca 0.02 1.40 -0.29 0.00 -0.13 0.00 0.00 55.73 56.73 3ek5 s ARG 180 Cb -0.17 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 3ek5 s ARG 180 CO -0.00 -0.12 0.93 0.71 -0.81 0.00 0.00 175.30 176.01 3ek5 s TYR 181 N 1.26 3.63 0.17 5.12 1.51 -0.87 -4.96 117.35 123.21 3ek5 s TYR 181 Ca 0.51 1.61 0.04 0.00 -1.01 0.00 0.00 57.07 58.21 3ek5 s TYR 181 Cb -0.20 -3.07 0.02 0.00 -0.11 0.00 0.00 41.96 38.60 3ek5 s TYR 181 CO 0.25 -0.01 1.40 -0.44 -1.11 0.00 0.00 175.55 175.64 3ek5 h ASP 182 N 6.82 0.22 -4.85 2.29 3.45 -1.91 -3.39 116.42 119.05 3ek5 h ASP 182 Ca -0.40 -0.17 -0.05 0.00 0.43 0.00 0.00 57.03 56.83 3ek5 h ASP 182 Cb 1.21 -0.07 -0.19 0.00 -0.56 0.00 0.00 39.33 39.72 3ek5 h ASP 182 CO 0.76 0.96 0.19 -0.94 -1.57 0.00 0.00 179.24 178.64 3ek5 s SER 183 N -6.90 -0.67 0.01 6.45 1.04 -1.26 -1.87 113.70 110.51 3ek5 s SER 183 Ca -0.03 0.81 -0.06 0.00 0.48 0.00 0.00 55.95 57.15 3ek5 s SER 183 Cb 0.10 0.66 -0.00 0.00 0.10 0.00 0.00 66.02 66.88 3ek5 s SER 183 CO 0.82 -0.56 0.12 -0.76 0.98 0.00 0.00 173.24 173.84 3ek5 s LEU 184 N -0.99 1.65 0.28 2.42 1.02 0.78 -4.91 118.68 118.94 3ek5 s LEU 184 Ca -0.09 -0.32 -0.01 0.00 0.02 0.00 0.00 54.13 53.73 3ek5 s LEU 184 Cb -0.01 0.63 -0.04 0.00 0.02 0.00 0.00 46.19 46.79 3ek5 s LEU 184 CO 0.09 -0.41 0.49 0.42 0.02 0.00 0.00 176.35 176.96 3ek5 s THR 185 N -1.74 5.12 0.27 5.49 -4.23 -1.25 -0.98 115.64 118.33 3ek5 s THR 185 Ca -0.12 -0.28 0.01 0.00 -1.18 0.00 0.00 61.69 60.12 3ek5 s THR 185 Cb -0.06 -3.78 0.26 0.00 1.34 0.00 0.00 72.50 70.26 3ek5 s THR 185 CO -0.00 -0.35 1.78 1.88 -0.54 0.00 0.00 174.62 177.39 3ek5 h TYR 186 N 1.48 0.90 0.00 3.99 -1.99 -1.59 -0.60 116.97 119.16 3ek5 h TYR 186 Ca -0.49 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.19 3ek5 h TYR 186 Cb 1.20 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 39.66 3ek5 h TYR 186 CO 0.54 0.24 -0.42 -0.44 -0.00 0.00 0.00 178.16 178.08 3ek5 h ASP 187 N 0.72 0.00 -0.44 3.88 3.32 -1.85 -2.60 116.42 119.44 3ek5 h ASP 187 Ca 0.49 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.47 3ek5 h ASP 187 Cb 0.68 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 3ek5 h ASP 187 CO -0.35 0.42 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.25 3ek5 h GLU 188 N 0.00 0.78 -0.73 3.56 5.08 -1.37 -2.43 114.58 119.48 3ek5 h GLU 188 Ca -0.00 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3ek5 h GLU 188 Cb 0.95 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 3ek5 h GLU 188 CO 0.05 0.85 0.47 0.28 -1.00 0.00 0.00 179.01 179.67 3ek5 h VAL 189 N 0.62 1.19 -0.14 3.13 2.07 -1.06 -0.24 116.25 121.82 3ek5 h VAL 189 Ca 0.12 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3ek5 h VAL 189 Cb 0.50 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3ek5 h VAL 189 CO 0.02 0.19 0.03 0.40 0.02 0.00 0.00 177.57 178.23 3ek5 h ILE 190 N 0.99 1.21 -0.05 4.57 1.08 -1.44 -1.44 117.51 122.43 3ek5 h ILE 190 Ca 0.26 -0.65 -0.16 0.00 -0.39 0.00 0.00 64.86 63.93 3ek5 h ILE 190 Cb -0.10 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 3ek5 h ILE 190 CO -0.06 0.19 -0.68 -0.03 -0.69 0.00 0.00 178.15 176.88 3ek5 h MET 191 N 0.02 0.23 -0.02 2.37 4.05 -1.23 -2.69 114.93 117.66 3ek5 h MET 191 Ca 0.04 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 3ek5 h MET 191 Cb 0.27 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 3ek5 h MET 191 CO 0.00 0.83 0.00 1.04 0.23 0.00 0.00 176.91 179.01 3ek5 n GLN 192 N -3.81 1.21 -2.30 0.39 6.02 -0.12 -4.93 117.38 113.85 3ek5 n GLN 192 Ca -0.03 -0.31 -0.20 0.00 -0.01 0.00 0.00 57.00 56.45 3ek5 n GLN 192 Cb 0.67 -1.44 -0.02 0.00 1.02 0.00 0.00 30.24 30.48 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 1.00 -0.20 3.75 1.08 0.00 -0.60 -4.95 105.19 105.27 3ek5 n GLY 193 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.81 4.44 -0.27 0.99 1.43 -0.84 -5.02 118.68 113.60 3ek5 s LEU 194 Ca 0.00 1.41 -0.27 0.00 -1.03 0.00 0.00 54.13 54.24 3ek5 s LEU 194 Cb 0.00 -3.19 0.01 0.00 0.03 0.00 0.00 46.19 43.03 3ek5 s LEU 194 CO 0.00 0.03 0.94 -1.61 0.23 0.00 0.00 176.35 175.94 3ek5 s GLU 195 N -0.07 4.12 0.02 1.70 0.41 -1.26 -4.77 118.70 118.85 3ek5 s GLU 195 Ca 0.38 1.01 -0.02 0.00 -0.41 0.00 0.00 54.97 55.93 3ek5 s GLU 195 Cb -0.20 -3.69 -0.01 0.00 -1.78 0.00 0.00 34.13 28.45 3ek5 s GLU 195 CO 0.22 -0.69 -0.04 0.28 -0.49 0.00 0.00 175.26 174.54 3ek5 n VAL 196 N 5.50 0.73 -4.20 2.63 0.31 -1.26 -5.03 118.33 117.00 3ek5 n VAL 196 Ca 0.09 0.17 -0.12 0.00 -0.01 0.00 0.00 64.34 64.46 3ek5 n VAL 196 Cb 0.47 -1.61 -0.10 0.00 -0.91 0.00 0.00 33.84 31.69 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 -2.08 1.16 0.73 5.55 -1.94 -1.26 -5.12 119.30 116.33 3ek5 s MET 197 Ca -0.04 -1.60 -0.14 0.00 -1.71 0.00 0.00 55.69 52.20 3ek5 s MET 197 Cb 0.01 0.19 0.04 0.00 2.01 0.00 0.00 34.83 37.08 3ek5 s MET 197 CO 0.05 -0.34 1.15 0.16 -0.01 0.00 0.00 175.02 176.03 3ek5 s ASP 198 N -3.15 4.44 0.16 3.03 1.47 -1.26 -4.71 116.67 116.65 3ek5 s ASP 198 Ca 0.35 2.15 -0.22 0.00 1.18 0.00 0.00 52.55 56.02 3ek5 s ASP 198 Cb 0.07 -2.57 0.06 0.00 -0.34 0.00 0.00 42.92 40.14 3ek5 s ASP 198 CO 0.10 -2.09 1.62 0.74 0.68 0.00 0.00 175.17 176.22 3ek5 h THR 199 N -0.41 0.34 -0.68 2.11 2.02 -2.01 -1.40 112.91 112.88 3ek5 h THR 199 Ca -0.46 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.78 3ek5 h THR 199 Cb 1.27 0.34 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 3ek5 h THR 199 CO 0.51 0.00 0.38 0.00 0.37 0.00 0.00 175.52 176.77 3ek5 h ALA 200 N 0.88 0.92 -0.44 6.16 0.00 -1.99 0.01 119.26 124.80 3ek5 h ALA 200 Ca 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3ek5 h ALA 200 Cb 0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3ek5 h ALA 200 CO -0.46 0.05 0.20 0.00 0.00 0.00 0.00 179.25 179.05 3ek5 h ALA 201 N 1.36 0.57 -0.54 0.00 0.00 -1.66 0.27 119.26 119.26 3ek5 h ALA 201 Ca 0.31 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3ek5 h ALA 201 Cb 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ek5 h ALA 201 CO -0.19 0.13 0.18 0.35 0.00 0.00 0.00 179.25 179.73 3ek5 h PHE 202 N 0.57 0.85 -0.29 0.00 3.57 -0.72 0.94 116.94 121.85 3ek5 h PHE 202 Ca 0.15 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 3ek5 h PHE 202 Cb 0.13 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3ek5 h PHE 202 CO -0.01 0.71 -0.18 0.00 -2.23 0.00 0.00 178.31 176.61 3ek5 h ALA 203 N 1.04 1.16 -0.56 2.41 0.00 -0.58 1.05 119.26 123.78 3ek5 h ALA 203 Ca 0.17 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3ek5 h ALA 203 Cb 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ek5 h ALA 203 CO -0.01 0.53 -0.02 1.25 0.00 0.00 0.00 179.25 181.00 3ek5 h LEU 204 N 0.47 0.95 -0.15 0.00 7.12 -0.38 -1.35 115.31 121.97 3ek5 h LEU 204 Ca 0.08 -0.27 -0.23 0.00 0.13 0.00 0.00 57.88 57.59 3ek5 h LEU 204 Cb 0.58 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.45 3ek5 h LEU 204 CO 0.04 1.02 -0.97 0.00 -0.13 0.00 0.00 178.44 178.40 3ek5 h ALA 205 N 1.07 0.34 0.34 1.25 0.00 0.62 -3.30 119.26 119.58 3ek5 h ALA 205 Ca 0.16 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 3ek5 h ALA 205 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ek5 h ALA 205 CO 0.03 0.83 -0.16 -0.09 0.00 0.00 0.00 179.25 179.86 3ek5 h ARG 206 N 0.22 -0.44 -0.95 0.00 2.43 0.13 -1.71 114.38 114.06 3ek5 h ARG 206 Ca -0.08 0.03 0.24 0.00 -0.81 0.00 0.00 59.98 59.35 3ek5 h ARG 206 Cb 1.61 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 31.20 3ek5 h ARG 206 CO 0.17 -0.24 0.64 -0.44 -1.51 0.00 0.00 179.97 178.59 3ek5 h ASP 207 N -0.53 0.30 -0.65 -3.80 5.19 -1.32 0.28 116.42 115.89 3ek5 h ASP 207 Ca -0.05 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3ek5 h ASP 207 Cb 0.40 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.89 3ek5 h ASP 207 CO 0.08 0.10 0.00 -1.20 -3.12 0.00 0.00 179.24 175.09 3ek5 n SER 208 N -4.46 3.75 -3.93 6.45 7.64 -1.22 -4.96 113.62 116.88 3ek5 n SER 208 Ca 0.21 -2.00 -0.32 0.00 1.01 0.00 0.00 58.87 57.77 3ek5 n SER 208 Cb 0.83 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 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 1.44 -2.63 -4.67 6.43 4.64 0.98 -4.89 116.55 117.85 3ek5 n ASP 209 Ca 0.22 -1.10 -0.42 0.00 -1.38 0.00 0.00 54.79 52.10 3ek5 n ASP 209 Cb 0.59 -2.72 -0.03 0.00 -1.04 0.00 0.00 41.12 37.92 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 -6.95 4.17 -0.00 -2.67 2.96 -0.66 -4.88 118.68 110.64 3ek5 s LEU 210 Ca 0.26 1.35 -0.30 0.00 -0.22 0.00 0.00 54.13 55.22 3ek5 s LEU 210 Cb -0.11 -3.44 -0.07 0.00 0.50 0.00 0.00 46.19 43.07 3ek5 s LEU 210 CO 0.91 -0.51 1.75 -2.84 -1.32 0.00 0.00 176.35 174.34 3ek5 s PRO 211 N 2.50 4.17 -0.05 0.98 0.02 -1.26 -4.75 135.00 136.61 3ek5 s PRO 211 Ca 0.43 2.35 -0.02 0.00 0.02 0.00 0.00 61.00 63.78 3ek5 s PRO 211 Cb -0.17 -3.98 -0.04 0.00 0.02 0.00 0.00 34.50 30.34 3ek5 s PRO 211 CO 0.12 -0.86 0.06 -0.51 -0.33 0.00 0.00 177.00 175.48 3ek5 s LEU 212 N 3.93 3.87 -0.32 -5.54 1.02 0.04 -1.24 118.68 120.45 3ek5 s LEU 212 Ca 0.78 0.19 -0.01 0.00 0.02 0.00 0.00 54.13 55.12 3ek5 s LEU 212 Cb -0.37 -2.10 0.10 0.00 0.02 0.00 0.00 46.19 43.84 3ek5 s LEU 212 CO 0.34 0.33 0.11 -0.60 0.02 0.00 0.00 176.35 176.55 3ek5 s ARG 213 N -1.37 0.75 -0.29 1.70 6.06 -0.49 0.47 118.95 125.79 3ek5 s ARG 213 Ca 0.19 -1.16 -0.25 0.00 -2.50 0.00 0.00 55.73 52.00 3ek5 s ARG 213 Cb -0.12 -2.00 0.00 0.00 0.06 0.00 0.00 34.95 32.90 3ek5 s ARG 213 CO 0.09 -1.01 0.89 0.42 -2.50 0.00 0.00 175.30 173.19 3ek5 s ILE 214 N 1.50 4.72 0.22 4.11 -1.09 -0.22 -1.51 121.20 128.93 3ek5 s ILE 214 Ca 0.11 1.46 -0.12 0.00 -2.23 0.00 0.00 60.65 59.87 3ek5 s ILE 214 Cb -0.18 -4.22 -0.00 0.00 -1.58 0.00 0.00 42.46 36.47 3ek5 s ILE 214 CO -0.22 -0.27 0.41 0.72 -1.23 0.00 0.00 174.94 174.35 3ek5 s PHE 215 N 3.13 0.38 -0.14 3.97 -0.12 -0.84 -0.55 117.98 123.80 3ek5 s PHE 215 Ca 0.37 -0.73 -0.01 0.00 -0.05 0.00 0.00 56.93 56.50 3ek5 s PHE 215 Cb -0.14 0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.33 3ek5 s PHE 215 CO 0.12 -0.90 -0.10 0.20 -0.05 0.00 0.00 175.22 174.49 3ek5 s GLY 216 N -3.00 1.60 -0.09 1.99 0.00 -1.25 -1.23 107.32 105.33 3ek5 s GLY 216 Ca 0.21 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 44.01 3ek5 s GLY 216 CO 0.06 -0.11 2.96 1.03 0.00 0.00 0.00 173.10 177.04 3ek5 n MET 217 N 3.62 1.78 0.22 2.90 2.81 -1.26 -4.64 117.12 122.54 3ek5 n MET 217 Ca -0.18 -0.97 -0.16 0.00 -1.81 0.00 0.00 57.70 54.58 3ek5 n MET 217 Cb 0.52 -1.73 -0.08 0.00 -0.71 0.00 0.00 33.22 31.23 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 2.35 -1.07 -4.12 7.83 4.64 -1.95 -3.44 113.55 117.80 3ek5 h SER 218 Ca 0.18 0.10 -0.69 0.00 -0.47 0.00 0.00 61.79 60.90 3ek5 h SER 218 Cb 1.22 0.37 -0.25 0.00 -0.31 0.00 0.00 62.40 63.43 3ek5 h SER 218 CO 0.30 -0.52 -0.80 -0.70 -0.87 0.00 0.00 176.83 174.24 3ek5 s GLU 219 N -5.97 2.47 0.20 4.77 2.12 -1.26 -5.08 118.70 115.95 3ek5 s GLU 219 Ca -0.17 -0.75 -0.32 0.00 0.36 0.00 0.00 54.97 54.09 3ek5 s GLU 219 Cb 0.06 -2.31 -0.13 0.00 0.26 0.00 0.00 34.13 32.01 3ek5 s GLU 219 CO 0.63 0.58 1.66 -0.35 -0.54 0.00 0.00 175.26 177.24 3ek5 n PRO 220 N 2.42 2.57 0.00 4.30 -0.04 -1.26 -3.02 135.00 139.96 3ek5 n PRO 220 Ca -0.17 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 3ek5 n PRO 220 Cb 0.52 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 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 3.61 0.70 0.33 0.55 0.00 -1.26 -4.99 105.19 104.13 3ek5 n GLY 221 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 1.26 0.31 1.61 2.07 -1.94 -1.42 116.25 118.14 3ek5 h VAL 222 Ca 0.00 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 3ek5 h VAL 222 Cb 0.00 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3ek5 h VAL 222 CO 0.00 0.37 -0.26 0.25 0.02 0.00 0.00 177.57 177.95 3ek5 h LEU 223 N 1.12 -0.67 -0.18 2.57 6.46 -1.94 -0.39 115.31 122.28 3ek5 h LEU 223 Ca 0.24 0.05 0.04 0.00 -0.12 0.00 0.00 57.88 58.09 3ek5 h LEU 223 Cb 0.32 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.44 3ek5 h LEU 223 CO -0.01 -0.38 -0.06 0.25 -0.62 0.00 0.00 178.44 177.63 3ek5 h LEU 224 N -0.58 -0.20 -0.72 2.25 7.12 -1.85 -0.95 115.31 120.39 3ek5 h LEU 224 Ca -0.02 0.06 0.10 0.00 0.13 0.00 0.00 57.88 58.15 3ek5 h LEU 224 Cb 0.51 0.13 -0.07 0.00 -0.53 0.00 0.00 40.66 40.69 3ek5 h LEU 224 CO -0.02 -0.08 0.36 0.03 -0.13 0.00 0.00 178.44 178.60 3ek5 h ARG 225 N -0.02 0.58 -0.44 1.25 3.08 -1.11 -1.94 114.38 115.78 3ek5 h ARG 225 Ca 0.09 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3ek5 h ARG 225 Cb 0.16 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3ek5 h ARG 225 CO -0.20 0.39 0.15 0.82 -1.07 0.00 0.00 179.97 180.06 3ek5 h ILE 226 N 0.60 1.21 -0.68 2.04 2.04 -0.35 -0.67 117.51 121.70 3ek5 h ILE 226 Ca 0.35 -0.69 0.19 0.00 1.00 0.00 0.00 64.86 65.71 3ek5 h ILE 226 Cb 0.38 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3ek5 h ILE 226 CO -0.27 0.25 0.48 -0.07 0.00 0.00 0.00 178.15 178.54 3ek5 h LEU 227 N 0.57 0.07 -3.13 1.44 3.38 -0.46 -1.37 115.31 115.81 3ek5 h LEU 227 Ca 0.14 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.92 3ek5 h LEU 227 Cb 0.23 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 40.86 3ek5 h LEU 227 CO -0.01 0.03 0.25 1.41 0.09 0.00 0.00 178.44 180.22 3ek5 n HIS 228 N -4.37 1.84 0.00 1.13 8.25 -0.33 -0.07 115.22 121.68 3ek5 n HIS 228 Ca 0.13 -1.02 0.00 0.00 -0.26 0.00 0.00 57.72 56.57 3ek5 n HIS 228 Cb 0.70 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.16 3.06 3.49 -1.41 0.00 -0.52 -4.82 105.19 104.83 3ek5 n GLY 229 Ca 0.32 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.63 -1.85 -2.98 4.61 0.00 -0.79 -4.85 120.51 114.03 3ek5 n ALA 230 Ca 0.00 0.44 -0.44 0.00 0.00 0.00 0.00 53.44 53.45 3ek5 n ALA 230 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3ek5 n ALA 230 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3ek5 n GLN 231 N 1.09 3.88 -4.39 0.00 -0.06 -1.26 -4.53 117.38 112.10 3ek5 n GLN 231 Ca 0.15 -4.23 -0.34 0.00 -2.00 0.00 0.00 57.00 50.58 3ek5 n GLN 231 Cb 0.25 -2.68 -0.10 0.00 -4.06 0.00 0.00 30.24 23.66 3ek5 n GLN 231 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 3ek5 s ILE 232 N -1.10 4.09 0.00 1.69 1.01 -1.26 -4.98 121.20 120.64 3ek5 s ILE 232 Ca 0.34 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.53 3ek5 s ILE 232 Cb 0.00 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.71 3ek5 s ILE 232 CO 0.02 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.07 3ek5 n GLY 233 N 1.83 0.95 3.46 6.18 0.00 -1.26 -4.80 105.19 111.54 3ek5 n GLY 233 Ca -0.17 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 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 2.78 -0.13 2.61 2.01 0.29 -4.66 115.64 118.53 3ek5 s THR 234 Ca 0.00 -1.30 -0.01 0.00 0.31 0.00 0.00 61.69 60.69 3ek5 s THR 234 Cb 0.00 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 3ek5 s THR 234 CO 0.00 0.26 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.88 3ek5 s LEU 235 N -1.65 2.94 -0.09 4.42 1.98 -0.78 -1.05 118.68 124.45 3ek5 s LEU 235 Ca 0.15 -0.23 0.02 0.00 -2.89 0.00 0.00 54.13 51.19 3ek5 s LEU 235 Cb -0.10 -1.67 -0.02 0.00 0.66 0.00 0.00 46.19 45.05 3ek5 s LEU 235 CO 0.07 0.19 -0.15 -0.69 -1.89 0.00 0.00 176.35 173.87 3ek5 s VAL 236 N 0.22 2.90 0.00 1.68 1.01 0.18 -0.16 120.40 126.23 3ek5 s VAL 236 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3ek5 s VAL 236 Cb -0.15 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.07 3ek5 s VAL 236 CO 0.04 0.56 0.00 1.67 0.00 0.00 0.00 175.10 177.37 3ek5 n GLN 237 N 2.95 0.00 0.00 2.72 7.27 -0.15 -0.78 117.38 129.39 3ek5 n GLN 237 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.89 3ek5 n GLN 237 Cb 0.52 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.17 3ek5 n GLN 237 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ek5 n GLY 238 N -0.16 -0.66 0.00 1.69 0.00 -1.26 -3.75 105.19 101.04 3ek5 n GLY 238 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.47 1.05 0.00 1.61 1.74 -1.26 -2.26 116.66 117.08 3ek5 n ARG 239 Ca 0.00 -0.98 0.01 0.00 -0.77 0.00 0.00 57.85 56.11 3ek5 n ARG 239 Cb 0.00 -0.96 0.05 0.00 -1.02 0.00 0.00 32.46 30.53 3ek5 n ARG 239 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98