#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ek6 h ALA 2 N 0.00 1.88 -2.45 -5.12 0.00 -2.01 -3.43 119.26 108.13 1ek6 h ALA 2 Ca 0.00 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1ek6 h ALA 2 Cb 0.00 -0.12 0.10 0.00 0.00 0.00 0.00 17.79 17.77 1ek6 h ALA 2 CO 0.00 -0.07 0.37 -1.21 0.00 0.00 0.00 179.25 178.35 1ek6 s GLU 3 N -5.58 2.80 0.34 0.00 2.02 -1.26 -5.01 118.70 112.00 1ek6 s GLU 3 Ca -0.09 1.39 0.04 0.00 0.02 0.00 0.00 54.97 56.33 1ek6 s GLU 3 Cb 0.21 -1.95 -0.02 0.00 0.10 0.00 0.00 34.13 32.47 1ek6 s GLU 3 CO 0.77 -1.25 0.49 0.15 0.02 0.00 0.00 175.26 175.45 1ek6 s LYS 4 N -4.11 3.23 -0.21 1.61 -0.14 0.40 -4.59 119.74 115.94 1ek6 s LYS 4 Ca 0.67 -0.76 -0.02 0.00 -1.36 0.00 0.00 55.97 54.50 1ek6 s LYS 4 Cb -0.20 -2.77 0.00 0.00 -1.68 0.00 0.00 37.83 33.18 1ek6 s LYS 4 CO 0.42 0.10 -0.09 0.08 -0.76 0.00 0.00 175.35 175.09 1ek6 s VAL 5 N -2.22 2.97 0.02 3.17 1.01 -0.15 -0.26 120.40 124.94 1ek6 s VAL 5 Ca 0.42 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.52 1ek6 s VAL 5 Cb -0.09 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1ek6 s VAL 5 CO 0.33 0.46 0.78 -0.22 0.00 0.00 0.00 175.10 176.44 1ek6 s LEU 6 N 1.41 4.42 -0.28 3.92 2.96 -0.47 -0.97 118.68 129.67 1ek6 s LEU 6 Ca 0.05 1.42 0.02 0.00 -0.22 0.00 0.00 54.13 55.41 1ek6 s LEU 6 Cb -0.14 -3.24 0.08 0.00 0.50 0.00 0.00 46.19 43.39 1ek6 s LEU 6 CO -0.06 -0.04 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.21 1ek6 s VAL 7 N 0.22 1.91 0.33 1.68 1.01 0.07 -0.20 120.40 125.42 1ek6 s VAL 7 Ca 0.40 -1.71 -0.23 0.00 0.00 0.00 0.00 61.98 60.44 1ek6 s VAL 7 Cb -0.20 -2.21 -0.10 0.00 0.00 0.00 0.00 36.38 33.87 1ek6 s VAL 7 CO 0.23 -0.27 0.89 0.42 0.00 0.00 0.00 175.10 176.36 1ek6 s THR 8 N 1.17 4.36 -1.73 3.92 -4.23 -0.05 -2.25 115.64 116.83 1ek6 s THR 8 Ca -0.01 1.57 0.00 0.00 -1.18 0.00 0.00 61.69 62.07 1ek6 s THR 8 Cb -0.19 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.80 1ek6 s THR 8 CO -0.08 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1ek6 n GLY 9 N 0.21 0.41 0.00 3.99 0.00 0.07 -1.72 105.19 108.15 1ek6 n GLY 9 Ca 0.03 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.99 1ek6 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ek6 n GLY 10 N -0.90 -0.90 0.01 -0.02 0.00 -1.18 -2.40 105.19 99.80 1ek6 n GLY 10 Ca -0.21 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 45.90 1ek6 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek6 n ALA 11 N -1.50 3.17 -1.19 4.61 0.00 -1.26 -1.72 120.51 122.62 1ek6 n ALA 11 Ca 0.03 -0.27 -0.07 0.00 0.00 0.00 0.00 53.44 53.13 1ek6 n ALA 11 Cb 0.14 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 18.44 1ek6 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ek6 n GLY 12 N 1.49 -1.79 0.11 0.00 0.00 -1.01 -4.62 105.19 99.37 1ek6 n GLY 12 Ca 0.06 -1.59 -0.04 0.00 0.00 0.00 0.00 46.02 44.44 1ek6 n GLY 12 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ek6 h TYR 13 N -1.53 -0.30 -0.31 1.61 3.20 -1.86 0.72 116.97 118.51 1ek6 h TYR 13 Ca -0.14 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.61 1ek6 h TYR 13 Cb 0.41 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1ek6 h TYR 13 CO 0.00 -0.15 -0.31 0.82 -1.64 0.00 0.00 178.16 176.88 1ek6 h ILE 14 N -0.24 1.28 -0.12 1.81 2.04 -1.94 -3.09 117.51 117.24 1ek6 h ILE 14 Ca -0.02 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 64.41 1ek6 h ILE 14 Cb 0.20 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1ek6 h ILE 14 CO 0.00 0.46 0.07 1.23 0.00 0.00 0.00 178.15 179.91 1ek6 h GLY 15 N 1.00 0.18 0.88 5.37 0.00 -1.77 -0.25 103.07 108.48 1ek6 h GLY 15 Ca 0.06 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.34 1ek6 h GLY 15 CO 0.07 0.08 0.44 1.48 0.00 0.00 0.00 176.54 178.61 1ek6 h SER 16 N 0.10 0.73 -0.37 0.19 4.64 0.04 0.13 113.55 119.01 1ek6 h SER 16 Ca 0.04 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1ek6 h SER 16 Cb 0.07 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1ek6 h SER 16 CO -0.01 0.51 0.10 0.45 -0.87 0.00 0.00 176.83 177.01 1ek6 h HIS 17 N 0.87 0.68 -0.39 4.77 -0.00 -1.42 -1.83 115.15 117.82 1ek6 h HIS 17 Ca 0.28 -0.05 -0.16 0.00 -0.00 0.00 0.00 60.37 60.44 1ek6 h HIS 17 Cb 0.01 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 1ek6 h HIS 17 CO -0.04 0.59 -0.38 1.15 -0.00 0.00 0.00 177.93 179.25 1ek6 h THR 18 N 0.65 1.27 -0.55 2.45 2.02 0.20 -2.18 112.91 116.77 1ek6 h THR 18 Ca 0.15 -1.55 0.04 0.00 0.77 0.00 0.00 66.41 65.82 1ek6 h THR 18 Cb 0.26 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 1ek6 h THR 18 CO -0.00 0.52 0.30 0.58 0.37 0.00 0.00 175.52 177.29 1ek6 h VAL 19 N 0.77 0.99 -0.15 3.16 2.07 -0.39 0.15 116.25 122.84 1ek6 h VAL 19 Ca 0.06 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1ek6 h VAL 19 Cb 0.97 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1ek6 h VAL 19 CO 0.09 0.11 0.00 0.25 0.02 0.00 0.00 177.57 178.04 1ek6 h LEU 20 N 0.58 -0.05 -0.83 2.57 6.46 -1.18 -1.25 115.31 121.61 1ek6 h LEU 20 Ca 0.24 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.03 1ek6 h LEU 20 Cb 0.11 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 1ek6 h LEU 20 CO -0.15 -0.00 0.53 -0.33 -0.62 0.00 0.00 178.44 177.87 1ek6 h GLU 21 N 0.06 1.11 -0.48 1.25 4.39 -0.78 -1.33 114.58 118.79 1ek6 h GLU 21 Ca 0.07 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.71 1ek6 h GLU 21 Cb 0.08 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 1ek6 h GLU 21 CO -0.12 0.75 0.29 -0.07 -1.16 0.00 0.00 179.01 178.70 1ek6 h LEU 22 N 1.13 0.48 -0.29 1.33 3.38 -0.38 0.26 115.31 121.22 1ek6 h LEU 22 Ca 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1ek6 h LEU 22 Cb -0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1ek6 h LEU 22 CO -0.06 0.34 0.16 -0.07 0.09 0.00 0.00 178.44 178.90 1ek6 h LEU 23 N 0.59 0.36 -1.62 1.67 3.38 -0.82 0.33 115.31 119.20 1ek6 h LEU 23 Ca 0.19 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1ek6 h LEU 23 Cb 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1ek6 h LEU 23 CO -0.08 0.34 -0.21 -0.33 0.09 0.00 0.00 178.44 178.25 1ek6 h GLU 24 N 0.35 0.00 -0.10 1.13 4.39 -1.01 -1.32 114.58 118.01 1ek6 h GLU 24 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1ek6 h GLU 24 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1ek6 h GLU 24 CO -0.02 0.21 0.00 0.00 -1.16 0.00 0.00 179.01 178.05 1ek6 n ALA 25 N -2.42 2.55 -0.47 3.43 0.00 0.06 -4.92 120.51 118.73 1ek6 n ALA 25 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1ek6 n ALA 25 Cb 0.29 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1ek6 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ek6 n GLY 26 N 1.09 0.76 3.92 0.00 0.00 -0.50 -5.05 105.19 105.42 1ek6 n GLY 26 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1ek6 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ek6 s TYR 27 N -2.21 3.16 -0.45 1.61 2.02 0.05 -4.95 117.35 116.57 1ek6 s TYR 27 Ca 0.00 0.62 0.01 0.00 -0.37 0.00 0.00 57.07 57.33 1ek6 s TYR 27 Cb 0.00 -2.91 0.12 0.00 -0.40 0.00 0.00 41.96 38.77 1ek6 s TYR 27 CO 0.00 -1.03 0.21 -0.51 -1.57 0.00 0.00 175.55 172.65 1ek6 s LEU 28 N -5.10 4.89 0.31 -1.29 1.43 -1.26 -4.29 118.68 113.36 1ek6 s LEU 28 Ca 0.56 -2.45 -0.19 0.00 -1.03 0.00 0.00 54.13 51.02 1ek6 s LEU 28 Cb -0.11 -1.73 -0.09 0.00 0.03 0.00 0.00 46.19 44.29 1ek6 s LEU 28 CO 0.46 -0.39 0.80 -2.16 0.23 0.00 0.00 176.35 175.28 1ek6 s PRO 29 N 0.51 4.19 -0.16 1.29 0.04 -1.26 -0.97 135.00 138.64 1ek6 s PRO 29 Ca 0.13 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1ek6 s PRO 29 Cb -0.22 -2.57 0.03 0.00 0.04 0.00 0.00 34.50 31.78 1ek6 s PRO 29 CO -0.04 0.21 -0.10 0.08 0.04 0.00 0.00 177.00 177.19 1ek6 s VAL 30 N -1.83 1.41 -0.05 -0.36 1.01 -0.14 -3.26 120.40 117.18 1ek6 s VAL 30 Ca 0.52 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1ek6 s VAL 30 Cb -0.13 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1ek6 s VAL 30 CO 0.18 0.30 -0.02 -0.69 0.00 0.00 0.00 175.10 174.88 1ek6 s VAL 31 N 1.53 4.07 0.05 2.92 1.01 0.44 -0.75 120.40 129.66 1ek6 s VAL 31 Ca 0.03 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.63 1ek6 s VAL 31 Cb -0.14 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1ek6 s VAL 31 CO -0.09 0.53 -0.19 0.27 0.00 0.00 0.00 175.10 175.62 1ek6 s ILE 32 N -0.93 1.50 -0.18 2.22 -4.36 -0.96 -0.75 121.20 117.74 1ek6 s ILE 32 Ca 0.15 -1.16 -0.29 0.00 -0.26 0.00 0.00 60.65 59.09 1ek6 s ILE 32 Cb -0.11 -1.32 0.12 0.00 1.25 0.00 0.00 42.46 42.39 1ek6 s ILE 32 CO 0.05 0.13 0.97 -0.62 0.24 0.00 0.00 174.94 175.70 1ek6 s ASP 33 N -1.21 -0.43 0.00 4.36 2.15 -1.19 -0.75 116.67 119.59 1ek6 s ASP 33 Ca 0.06 0.58 0.19 0.00 0.43 0.00 0.00 52.55 53.81 1ek6 s ASP 33 Cb -0.09 0.50 0.33 0.00 -0.30 0.00 0.00 42.92 43.37 1ek6 s ASP 33 CO 0.02 -0.32 1.28 -0.46 -0.17 0.00 0.00 175.17 175.52 1ek6 n ASN 34 N 1.18 3.11 -0.40 -0.34 6.94 -1.08 -1.82 115.26 122.85 1ek6 n ASN 34 Ca -0.12 -1.91 -0.05 0.00 -0.02 0.00 0.00 54.58 52.49 1ek6 n ASN 34 Cb 0.57 -0.19 -0.02 0.00 -2.36 0.00 0.00 39.78 37.78 1ek6 n ASN 34 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1ek6 n PHE 35 N 1.20 0.00 -0.34 -2.53 3.01 -1.26 -4.89 117.46 112.65 1ek6 n PHE 35 Ca 0.16 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.63 1ek6 n PHE 35 Cb 0.53 -1.48 0.15 0.00 -0.01 0.00 0.00 39.48 38.66 1ek6 n PHE 35 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1ek6 h HIS 36 N 0.00 1.10 -0.15 1.38 2.76 -1.99 -3.27 115.15 114.99 1ek6 h HIS 36 Ca -0.11 0.03 -0.20 0.00 -2.20 0.00 0.00 60.37 57.89 1ek6 h HIS 36 Cb 0.58 -0.36 -0.39 0.00 1.55 0.00 0.00 27.41 28.80 1ek6 h HIS 36 CO 0.30 0.59 -1.05 -1.71 -1.30 0.00 0.00 177.93 174.76 1ek6 n ASN 37 N -4.54 1.25 -4.07 3.26 5.15 -1.26 -5.07 115.26 109.97 1ek6 n ASN 37 Ca 0.13 -2.07 -0.15 0.00 -0.60 0.00 0.00 54.58 51.89 1ek6 n ASN 37 Cb 0.15 -0.36 -0.12 0.00 -0.53 0.00 0.00 39.78 38.92 1ek6 n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ek6 s ALA 38 N -1.36 0.71 -0.08 5.20 0.00 -1.23 -4.85 121.76 120.14 1ek6 s ALA 38 Ca 0.32 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 51.33 1ek6 s ALA 38 Cb 0.37 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1ek6 s ALA 38 CO -0.12 0.06 0.69 0.12 0.00 0.00 0.00 175.76 176.50 1ek6 s PHE 39 N -1.10 3.55 0.10 0.00 2.19 -1.26 -4.70 117.98 116.75 1ek6 s PHE 39 Ca -0.06 1.20 -0.31 0.00 0.33 0.00 0.00 56.93 58.09 1ek6 s PHE 39 Cb -0.08 -2.80 -0.08 0.00 -1.31 0.00 0.00 43.02 38.75 1ek6 s PHE 39 CO 0.01 0.06 1.47 1.03 1.83 0.00 0.00 175.22 179.61 1ek6 s ARG 40 N 0.93 4.27 1.14 10.12 0.52 -1.26 -2.37 118.95 132.31 1ek6 s ARG 40 Ca 0.36 2.15 -0.19 0.00 -0.52 0.00 0.00 55.73 57.53 1ek6 s ARG 40 Cb -0.17 -3.35 0.28 0.00 0.52 0.00 0.00 34.95 32.23 1ek6 s ARG 40 CO 0.17 -0.54 1.04 0.41 0.02 0.00 0.00 175.30 176.40 1ek6 n GLY 41 N 3.65 -2.67 0.14 -3.53 0.00 -1.02 -4.53 105.19 97.23 1ek6 n GLY 41 Ca 0.13 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 1ek6 n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ek6 h GLY 42 N -2.52 0.31 0.00 -0.02 0.00 -1.86 -3.46 103.07 95.52 1ek6 h GLY 42 Ca -0.39 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.42 1ek6 h GLY 42 CO 0.25 0.46 0.00 0.61 0.00 0.00 0.00 176.54 177.87 1ek6 n GLY 43 N 0.83 2.50 0.12 4.60 0.00 -1.26 -5.03 105.19 106.95 1ek6 n GLY 43 Ca -0.04 -1.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.07 1ek6 n GLY 43 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ek6 h SER 44 N 0.00 0.45 -4.15 1.61 0.87 -2.01 -3.46 113.55 106.86 1ek6 h SER 44 Ca 0.00 -0.83 -0.51 0.00 -1.23 0.00 0.00 61.79 59.22 1ek6 h SER 44 Cb 0.00 -0.14 0.09 0.00 -0.44 0.00 0.00 62.40 61.91 1ek6 h SER 44 CO 0.00 1.23 0.40 -0.76 -0.53 0.00 0.00 176.83 177.17 1ek6 s LEU 45 N -8.22 3.55 0.59 2.23 1.43 -1.26 -4.78 118.68 112.22 1ek6 s LEU 45 Ca -0.14 2.10 -0.17 0.00 -1.03 0.00 0.00 54.13 54.89 1ek6 s LEU 45 Cb 0.02 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.64 1ek6 s LEU 45 CO 0.81 -1.48 1.11 -2.84 0.23 0.00 0.00 176.35 174.18 1ek6 s PRO 46 N -3.72 3.16 0.23 1.29 0.02 -1.26 -2.44 135.00 132.29 1ek6 s PRO 46 Ca 0.70 1.46 -0.06 0.00 0.02 0.00 0.00 61.00 63.12 1ek6 s PRO 46 Cb -0.23 -1.99 0.39 0.00 0.02 0.00 0.00 34.50 32.69 1ek6 s PRO 46 CO 0.35 -0.98 1.75 1.49 -0.33 0.00 0.00 177.00 179.28 1ek6 h GLU 47 N 0.67 0.47 -0.77 5.54 4.57 -1.70 -0.50 114.58 122.86 1ek6 h GLU 47 Ca -0.48 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 57.76 1ek6 h GLU 47 Cb 1.25 -0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.66 1ek6 h GLU 47 CO 0.56 0.31 0.43 0.66 -1.18 0.00 0.00 179.01 179.79 1ek6 h SER 48 N 0.49 0.60 0.44 1.04 4.64 -1.86 -0.52 113.55 118.38 1ek6 h SER 48 Ca 0.37 0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 61.56 1ek6 h SER 48 Cb 0.50 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1ek6 h SER 48 CO -0.34 0.35 -0.76 -0.07 -0.87 0.00 0.00 176.83 175.14 1ek6 h LEU 49 N 0.73 0.32 -0.38 5.97 3.38 -1.60 -1.44 115.31 122.29 1ek6 h LEU 49 Ca 0.37 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ek6 h LEU 49 Cb 0.33 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1ek6 h LEU 49 CO -0.24 0.96 0.23 -0.09 0.09 0.00 0.00 178.44 179.40 1ek6 h ARG 50 N 0.17 0.51 -0.46 1.13 2.43 -0.60 -0.42 114.38 117.15 1ek6 h ARG 50 Ca -0.03 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 1ek6 h ARG 50 Cb 1.34 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1ek6 h ARG 50 CO 0.12 0.38 -0.06 0.00 -1.51 0.00 0.00 179.97 178.91 1ek6 h ARG 51 N 0.50 0.79 -0.70 0.20 3.08 -0.90 -2.32 114.38 115.03 1ek6 h ARG 51 Ca 0.14 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1ek6 h ARG 51 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1ek6 h ARG 51 CO -0.03 0.83 0.39 0.28 -1.07 0.00 0.00 179.97 180.38 1ek6 h VAL 52 N 0.73 1.20 -0.49 2.04 2.07 -0.72 0.51 116.25 121.59 1ek6 h VAL 52 Ca 0.13 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1ek6 h VAL 52 Cb 0.52 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1ek6 h VAL 52 CO 0.03 0.22 0.32 1.56 0.02 0.00 0.00 177.57 179.72 1ek6 h GLN 53 N 0.97 0.66 -0.36 1.57 4.20 -0.56 -0.90 115.11 120.68 1ek6 h GLN 53 Ca 0.25 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.79 1ek6 h GLN 53 Cb 0.00 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1ek6 h GLN 53 CO -0.04 0.45 -0.25 0.93 -0.67 0.00 0.00 178.83 179.25 1ek6 h GLU 54 N 0.66 0.72 0.00 1.46 5.08 -0.92 0.26 114.58 121.85 1ek6 h GLU 54 Ca 0.18 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1ek6 h GLU 54 Cb -0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1ek6 h GLU 54 CO -0.04 0.90 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.42 1ek6 h LEU 55 N 0.63 0.00 0.00 1.33 3.38 -0.60 -3.29 115.31 116.76 1ek6 h LEU 55 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ek6 h LEU 55 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1ek6 h LEU 55 CO 0.06 0.39 -1.54 0.35 0.09 0.00 0.00 178.44 177.79 1ek6 n THR 56 N -3.99 0.00 -1.07 0.22 -2.24 -0.37 -4.97 114.28 101.85 1ek6 n THR 56 Ca -0.02 -0.32 -0.03 0.00 -2.27 0.00 0.00 64.05 61.42 1ek6 n THR 56 Cb 0.43 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.96 1ek6 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ek6 n GLY 57 N 1.52 0.53 3.52 3.38 0.00 0.90 -4.99 105.19 110.04 1ek6 n GLY 57 Ca -0.02 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 1ek6 n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ek6 s ARG 58 N -1.36 1.85 0.11 1.61 0.52 -1.21 -5.06 118.95 115.41 1ek6 s ARG 58 Ca 0.00 -1.59 -0.05 0.00 -0.52 0.00 0.00 55.73 53.58 1ek6 s ARG 58 Cb 0.00 -1.92 -0.05 0.00 0.52 0.00 0.00 34.95 33.49 1ek6 s ARG 58 CO 0.00 0.36 0.34 -1.12 0.02 0.00 0.00 175.30 174.90 1ek6 s SER 59 N -3.35 6.48 -0.15 0.23 0.01 -1.26 -4.43 113.70 111.23 1ek6 s SER 59 Ca 0.28 0.56 0.01 0.00 1.31 0.00 0.00 55.95 58.11 1ek6 s SER 59 Cb -0.06 -2.08 0.02 0.00 0.21 0.00 0.00 66.02 64.11 1ek6 s SER 59 CO 0.15 0.10 -0.16 0.54 0.41 0.00 0.00 173.24 174.28 1ek6 s VAL 60 N -1.57 1.74 0.08 3.43 0.11 -1.26 -4.84 120.40 118.08 1ek6 s VAL 60 Ca 0.38 -0.74 -0.29 0.00 -2.93 0.00 0.00 61.98 58.39 1ek6 s VAL 60 Cb -0.12 -1.60 -0.05 0.00 -1.53 0.00 0.00 36.38 33.08 1ek6 s VAL 60 CO 0.24 0.49 0.94 -1.61 -3.33 0.00 0.00 175.10 171.82 1ek6 s GLU 61 N 1.33 4.65 0.00 1.54 0.41 -1.20 -4.98 118.70 120.44 1ek6 s GLU 61 Ca 0.03 1.40 -0.00 0.00 -0.41 0.00 0.00 54.97 55.98 1ek6 s GLU 61 Cb -0.13 -3.39 -0.00 0.00 -1.78 0.00 0.00 34.13 28.82 1ek6 s GLU 61 CO -0.10 0.17 -0.00 0.12 -0.49 0.00 0.00 175.26 174.96 1ek6 s PHE 62 N 0.18 0.04 -0.06 1.61 5.36 -1.26 -0.42 117.98 123.43 1ek6 s PHE 62 Ca 0.47 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.36 1ek6 s PHE 62 Cb -0.23 -0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.45 1ek6 s PHE 62 CO 0.29 -0.03 -0.04 -2.00 -1.46 0.00 0.00 175.22 171.97 1ek6 s GLU 63 N -0.24 0.87 -0.34 10.12 2.56 0.07 -4.96 118.70 126.78 1ek6 s GLU 63 Ca -0.03 -0.07 -0.29 0.00 0.00 0.00 0.00 54.97 54.58 1ek6 s GLU 63 Cb -0.02 -0.98 0.02 0.00 2.00 0.00 0.00 34.13 35.16 1ek6 s GLU 63 CO -0.00 -0.16 1.08 -2.00 -0.56 0.00 0.00 175.26 173.62 1ek6 s GLU 64 N 1.29 4.02 0.06 4.30 2.12 -1.26 -3.18 118.70 126.05 1ek6 s GLU 64 Ca -0.05 1.00 -0.27 0.00 0.36 0.00 0.00 54.97 56.02 1ek6 s GLU 64 Cb -0.14 -3.76 0.09 0.00 0.26 0.00 0.00 34.13 30.58 1ek6 s GLU 64 CO -0.02 -0.95 0.85 0.00 -0.54 0.00 0.00 175.26 174.59 1ek6 s MET 65 N 3.73 0.99 -0.15 4.30 0.23 -0.76 -4.94 119.30 122.71 1ek6 s MET 65 Ca 0.45 -0.42 -0.06 0.00 -1.03 0.00 0.00 55.69 54.63 1ek6 s MET 65 Cb -0.12 0.42 -0.04 0.00 -1.53 0.00 0.00 34.83 33.57 1ek6 s MET 65 CO 0.17 -0.44 0.07 0.34 -2.03 0.00 0.00 175.02 173.13 1ek6 s ASP 66 N -2.62 5.73 0.60 -1.18 -1.08 -1.26 -2.65 116.67 114.20 1ek6 s ASP 66 Ca 0.06 0.18 0.40 0.00 -0.52 0.00 0.00 52.55 52.67 1ek6 s ASP 66 Cb -0.01 -1.89 2.08 0.00 -1.46 0.00 0.00 42.92 41.64 1ek6 s ASP 66 CO -0.07 0.26 2.22 0.16 0.52 0.00 0.00 175.17 178.26 1ek6 h ILE 67 N 4.53 0.00 0.00 4.11 3.07 -1.97 0.10 117.51 127.35 1ek6 h ILE 67 Ca -0.44 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 65.87 1ek6 h ILE 67 Cb 1.18 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 1ek6 h ILE 67 CO 0.65 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.93 1ek6 n LEU 68 N -2.98 0.00 -4.40 0.16 4.77 -1.26 -4.59 117.00 108.71 1ek6 n LEU 68 Ca -0.02 0.42 -0.45 0.00 -0.03 0.00 0.00 56.01 55.94 1ek6 n LEU 68 Cb 0.12 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 1ek6 n LEU 68 CO 0.20 -0.03 0.58 -0.62 -1.33 0.00 0.00 177.39 176.19 1ek6 s ASP 69 N -2.85 6.33 0.24 -1.43 2.15 0.35 -4.89 116.67 116.57 1ek6 s ASP 69 Ca 0.18 -1.62 -0.07 0.00 0.43 0.00 0.00 52.55 51.47 1ek6 s ASP 69 Cb 0.18 -2.33 0.25 0.00 -0.30 0.00 0.00 42.92 40.73 1ek6 s ASP 69 CO 0.47 -1.10 1.90 -0.61 -0.17 0.00 0.00 175.17 175.67 1ek6 h GLN 70 N 9.03 1.16 -0.11 4.34 4.15 -1.84 -1.50 115.11 130.34 1ek6 h GLN 70 Ca -0.16 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.21 1ek6 h GLN 70 Cb 1.07 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 1ek6 h GLN 70 CO 1.08 0.77 -0.03 0.78 -1.93 0.00 0.00 178.83 179.50 1ek6 h GLY 71 N 1.19 0.08 1.04 2.39 0.00 -1.96 0.70 103.07 106.51 1ek6 h GLY 71 Ca 0.35 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.65 1ek6 h GLY 71 CO -0.10 -0.04 0.14 0.00 0.00 0.00 0.00 176.54 176.55 1ek6 h ALA 72 N 1.11 0.84 -0.42 3.60 0.00 -1.87 -1.20 119.26 121.32 1ek6 h ALA 72 Ca 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ek6 h ALA 72 Cb 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ek6 h ALA 72 CO -0.11 0.56 0.19 -0.07 0.00 0.00 0.00 179.25 179.82 1ek6 h LEU 73 N 0.94 0.56 -0.68 0.00 3.38 -1.03 -0.18 115.31 118.30 1ek6 h LEU 73 Ca 0.20 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ek6 h LEU 73 Cb 0.38 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1ek6 h LEU 73 CO 0.00 0.55 0.45 1.56 0.09 0.00 0.00 178.44 181.09 1ek6 h GLN 74 N 0.53 0.89 -0.67 1.13 1.08 -0.70 -2.10 115.11 115.27 1ek6 h GLN 74 Ca 0.14 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 1ek6 h GLN 74 Cb 0.15 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 1ek6 h GLN 74 CO -0.02 0.59 0.32 0.00 -0.95 0.00 0.00 178.83 178.77 1ek6 h ARG 75 N 0.91 0.97 -0.47 1.46 3.08 -0.95 -2.84 114.38 116.55 1ek6 h ARG 75 Ca 0.25 -0.15 0.07 0.00 0.07 0.00 0.00 59.98 60.22 1ek6 h ARG 75 Cb -0.10 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 29.73 1ek6 h ARG 75 CO -0.06 0.78 0.15 1.25 -1.07 0.00 0.00 179.97 181.01 1ek6 h LEU 76 N 0.93 0.13 -1.30 3.04 5.85 -0.58 0.20 115.31 123.59 1ek6 h LEU 76 Ca 0.23 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1ek6 h LEU 76 Cb 0.13 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1ek6 h LEU 76 CO -0.03 0.10 0.00 -0.26 -0.34 0.00 0.00 178.44 177.91 1ek6 h PHE 77 N 0.31 0.00 0.12 1.25 -1.00 -1.27 -1.35 116.94 115.00 1ek6 h PHE 77 Ca 0.22 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.67 1ek6 h PHE 77 Cb 0.24 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 1ek6 h PHE 77 CO -0.17 0.00 -1.73 0.87 -1.61 0.00 0.00 178.31 175.67 1ek6 h LYS 78 N 0.00 0.26 -0.54 1.51 1.57 -1.02 -3.37 116.57 114.98 1ek6 h LYS 78 Ca 0.00 -0.45 -0.11 0.00 -1.87 0.00 0.00 60.65 58.22 1ek6 h LYS 78 Cb 0.41 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1ek6 h LYS 78 CO 0.00 1.12 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.67 1ek6 h LYS 79 N 0.07 1.02 -5.98 3.15 3.64 -0.22 -3.45 116.57 114.80 1ek6 h LYS 79 Ca -0.32 -0.38 -0.53 0.00 -1.27 0.00 0.00 60.65 58.15 1ek6 h LYS 79 Cb 2.04 -0.06 -0.17 0.00 -0.41 0.00 0.00 32.23 33.63 1ek6 h LYS 79 CO 0.14 1.07 -0.78 0.71 -2.27 0.00 0.00 179.45 178.32 1ek6 s TYR 80 N -4.84 1.91 -0.39 1.91 2.02 -0.55 -5.10 117.35 112.32 1ek6 s TYR 80 Ca -0.11 -0.46 -0.15 0.00 -0.37 0.00 0.00 57.07 55.98 1ek6 s TYR 80 Cb 0.13 -0.92 0.01 0.00 -0.40 0.00 0.00 41.96 40.77 1ek6 s TYR 80 CO 0.86 0.40 0.30 -1.12 -1.57 0.00 0.00 175.55 174.42 1ek6 s SER 81 N -2.86 6.11 -0.10 2.29 0.01 -1.26 -4.62 113.70 113.28 1ek6 s SER 81 Ca 0.19 -0.68 -0.04 0.00 1.31 0.00 0.00 55.95 56.73 1ek6 s SER 81 Cb -0.05 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 1ek6 s SER 81 CO 0.08 -0.39 0.06 -0.36 0.41 0.00 0.00 173.24 173.03 1ek6 s PHE 82 N 1.77 3.33 -0.40 2.43 0.40 -1.26 -0.45 117.98 123.79 1ek6 s PHE 82 Ca 0.07 0.32 0.22 0.00 -0.60 0.00 0.00 56.93 56.94 1ek6 s PHE 82 Cb -0.18 -1.84 -0.24 0.00 0.51 0.00 0.00 43.02 41.26 1ek6 s PHE 82 CO 0.11 0.57 0.70 0.00 0.70 0.00 0.00 175.22 177.30 1ek6 n MET 83 N 2.04 0.41 -3.58 0.44 0.00 0.64 -4.85 117.12 112.22 1ek6 n MET 83 Ca -0.19 -0.10 -0.06 0.00 0.00 0.00 0.00 57.70 57.35 1ek6 n MET 83 Cb 0.54 -1.54 -0.02 0.00 0.00 0.00 0.00 33.22 32.21 1ek6 n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ek6 s ALA 84 N -3.32 -1.85 -0.05 3.17 0.00 -1.24 -4.56 121.76 113.92 1ek6 s ALA 84 Ca -0.01 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.85 1ek6 s ALA 84 Cb 0.14 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.67 1ek6 s ALA 84 CO 0.88 -0.78 -0.08 0.08 0.00 0.00 0.00 175.76 175.86 1ek6 s VAL 85 N -3.01 0.79 -0.26 0.00 1.01 -0.54 -1.37 120.40 117.02 1ek6 s VAL 85 Ca 0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1ek6 s VAL 85 Cb -0.01 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.64 1ek6 s VAL 85 CO -0.06 0.27 -0.01 -0.63 0.00 0.00 0.00 175.10 174.67 1ek6 s ILE 86 N 0.63 3.28 -0.67 2.22 1.01 0.72 -0.53 121.20 127.85 1ek6 s ILE 86 Ca -0.10 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 1ek6 s ILE 86 Cb -0.13 -2.65 0.17 0.00 0.01 0.00 0.00 42.46 39.86 1ek6 s ILE 86 CO 0.01 0.19 0.58 -2.28 0.00 0.00 0.00 174.94 173.44 1ek6 s HIS 87 N 1.40 3.54 -0.11 3.97 2.46 -0.22 -0.87 115.29 125.45 1ek6 s HIS 87 Ca 0.02 -1.95 0.20 0.00 0.47 0.00 0.00 55.06 53.80 1ek6 s HIS 87 Cb -0.16 -3.65 -0.26 0.00 -0.13 0.00 0.00 32.58 28.37 1ek6 s HIS 87 CO -0.02 -0.97 0.43 1.19 -2.47 0.00 0.00 174.74 172.90 1ek6 n PHE 88 N 4.32 0.20 -1.67 3.88 3.72 -0.70 -2.66 117.46 124.56 1ek6 n PHE 88 Ca 0.03 0.06 -0.45 0.00 -0.05 0.00 0.00 57.45 57.04 1ek6 n PHE 88 Cb 0.43 -0.77 -0.03 0.00 -0.94 0.00 0.00 39.48 38.16 1ek6 n PHE 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ek6 n ALA 89 N -2.43 1.17 0.00 4.37 0.00 -1.10 -4.79 120.51 117.73 1ek6 n ALA 89 Ca -0.14 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1ek6 n ALA 89 Cb 0.80 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1ek6 n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ek6 n GLY 90 N 2.52 0.81 3.85 0.00 0.00 -1.26 -4.93 105.19 106.17 1ek6 n GLY 90 Ca 0.13 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 1ek6 n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ek6 s LEU 91 N 0.00 4.43 0.00 0.99 1.43 -1.26 -5.02 118.68 119.26 1ek6 s LEU 91 Ca 0.00 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 1ek6 s LEU 91 Cb 0.00 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1ek6 s LEU 91 CO 0.00 0.35 0.56 2.29 0.23 0.00 0.00 176.35 179.78 1ek6 n LYS 92 N 1.96 0.60 -2.35 1.70 2.85 -1.26 -4.98 118.16 116.68 1ek6 n LYS 92 Ca -0.16 -0.66 -0.39 0.00 -1.05 0.00 0.00 58.31 56.05 1ek6 n LYS 92 Cb 0.53 -0.62 -0.03 0.00 -0.65 0.00 0.00 35.03 34.26 1ek6 n LYS 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ek6 s ALA 93 N -0.21 2.46 0.21 0.58 0.00 -1.26 -4.87 121.76 118.67 1ek6 s ALA 93 Ca 0.00 -1.36 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 1ek6 s ALA 93 Cb 0.00 -4.36 0.25 0.00 0.00 0.00 0.00 23.12 19.01 1ek6 s ALA 93 CO 0.00 -3.70 1.64 0.28 0.00 0.00 0.00 175.76 173.99 1ek6 h VAL 94 N 6.55 0.44 -0.22 0.00 2.07 -1.99 -0.66 116.25 122.43 1ek6 h VAL 94 Ca -0.14 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1ek6 h VAL 94 Cb 1.07 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1ek6 h VAL 94 CO 1.28 0.01 0.14 1.23 0.02 0.00 0.00 177.57 180.25 1ek6 h GLY 95 N 0.04 0.32 1.70 2.17 0.00 -1.97 -1.55 103.07 103.79 1ek6 h GLY 95 Ca 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1ek6 h GLY 95 CO -0.58 0.13 0.15 0.83 0.00 0.00 0.00 176.54 177.06 1ek6 h GLU 96 N 0.28 0.39 -0.88 4.80 5.08 -1.84 -2.32 114.58 120.10 1ek6 h GLU 96 Ca 0.08 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1ek6 h GLU 96 Cb 0.01 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 1ek6 h GLU 96 CO -0.02 0.30 0.58 0.66 -1.00 0.00 0.00 179.01 179.54 1ek6 h SER 97 N 0.40 0.96 0.36 1.42 4.64 -0.11 0.38 113.55 121.60 1ek6 h SER 97 Ca 0.10 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 1ek6 h SER 97 Cb 0.03 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1ek6 h SER 97 CO -0.02 0.67 -0.33 0.58 -0.87 0.00 0.00 176.83 176.87 1ek6 h VAL 98 N 1.13 1.19 0.02 0.95 2.07 -1.06 -2.67 116.25 117.88 1ek6 h VAL 98 Ca 0.34 -1.15 -0.30 0.00 0.82 0.00 0.00 66.70 66.41 1ek6 h VAL 98 Cb -0.03 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1ek6 h VAL 98 CO -0.09 0.32 -1.75 0.00 0.02 0.00 0.00 177.57 176.07 1ek6 n GLN 99 N -4.08 0.65 -2.88 1.57 6.02 -0.30 -4.56 117.38 113.80 1ek6 n GLN 99 Ca -0.02 0.30 -0.25 0.00 -0.01 0.00 0.00 57.00 57.01 1ek6 n GLN 99 Cb 0.38 -1.78 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 1ek6 n GLN 99 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ek6 n LYS 100 N -3.12 2.96 -0.22 -1.09 4.01 0.12 -4.95 118.16 115.86 1ek6 n LYS 100 Ca -0.19 -4.59 0.02 0.00 -0.51 0.00 0.00 58.31 53.05 1ek6 n LYS 100 Cb 1.05 -2.15 0.13 0.00 -0.51 0.00 0.00 35.03 33.55 1ek6 n LYS 100 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1ek6 h PRO 101 N 2.91 0.23 -0.07 1.97 0.13 -1.72 -1.43 132.00 134.03 1ek6 h PRO 101 Ca 0.15 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1ek6 h PRO 101 Cb 0.65 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1ek6 h PRO 101 CO 0.78 0.15 -0.05 -0.07 -0.23 0.00 0.00 178.00 178.58 1ek6 h LEU 102 N 0.24 0.10 -0.85 1.56 3.38 -1.92 -0.74 115.31 117.07 1ek6 h LEU 102 Ca 0.35 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.26 1ek6 h LEU 102 Cb 0.56 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1ek6 h LEU 102 CO -0.46 0.16 0.27 0.44 0.09 0.00 0.00 178.44 178.94 1ek6 h ASP 103 N 0.11 1.04 -0.36 -0.43 3.45 -1.66 0.36 116.42 118.93 1ek6 h ASP 103 Ca 0.03 -0.17 -0.06 0.00 0.43 0.00 0.00 57.03 57.26 1ek6 h ASP 103 Cb 0.16 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.65 1ek6 h ASP 103 CO 0.01 0.93 -0.00 1.88 -1.57 0.00 0.00 179.24 180.49 1ek6 h TYR 104 N 1.09 0.69 -0.41 4.55 -1.99 -1.18 -1.11 116.97 118.60 1ek6 h TYR 104 Ca 0.25 -0.12 -0.12 0.00 2.00 0.00 0.00 58.73 60.73 1ek6 h TYR 104 Cb 0.24 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.78 1ek6 h TYR 104 CO 0.02 0.74 -0.21 1.88 -0.00 0.00 0.00 178.16 180.58 1ek6 h TYR 105 N 0.44 1.01 0.82 4.88 0.99 -0.93 -0.53 116.97 123.66 1ek6 h TYR 105 Ca 0.10 -0.26 -0.04 0.00 2.00 0.00 0.00 58.73 60.53 1ek6 h TYR 105 Cb 0.46 -0.23 0.01 0.00 1.00 0.00 0.00 36.73 37.97 1ek6 h TYR 105 CO 0.04 1.04 -0.40 -0.09 -0.00 0.00 0.00 178.16 178.75 1ek6 h ARG 106 N 0.70 -1.07 0.03 4.88 2.43 -0.23 -0.51 114.38 120.60 1ek6 h ARG 106 Ca 0.09 0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1ek6 h ARG 106 Cb 0.78 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1ek6 h ARG 106 CO 0.06 -0.70 -0.01 0.28 -1.51 0.00 0.00 179.97 178.09 1ek6 h VAL 107 N -1.20 1.12 -0.00 0.20 2.07 -1.23 -2.03 116.25 115.19 1ek6 h VAL 107 Ca -0.11 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1ek6 h VAL 107 Cb 0.86 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1ek6 h VAL 107 CO 0.19 0.12 -0.02 0.78 0.02 0.00 0.00 177.57 178.65 1ek6 h ASN 108 N -0.23 0.02 0.22 0.57 2.35 -1.18 -2.65 115.58 114.68 1ek6 h ASN 108 Ca -0.00 -0.74 -0.01 0.00 -0.55 0.00 0.00 56.30 55.00 1ek6 h ASN 108 Cb 0.22 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1ek6 h ASN 108 CO 0.01 0.76 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.37 1ek6 h LEU 109 N -0.71 -0.25 -0.73 1.61 3.38 -1.19 -2.62 115.31 114.80 1ek6 h LEU 109 Ca -0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1ek6 h LEU 109 Cb 0.76 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 1ek6 h LEU 109 CO 0.00 0.10 0.43 0.71 0.09 0.00 0.00 178.44 179.78 1ek6 h THR 110 N -0.86 1.01 -0.53 0.22 1.35 -0.92 0.67 112.91 113.85 1ek6 h THR 110 Ca -0.03 -0.27 0.04 0.00 -0.55 0.00 0.00 66.41 65.60 1ek6 h THR 110 Cb 0.23 0.14 -0.04 0.00 -1.73 0.00 0.00 68.15 66.75 1ek6 h THR 110 CO 0.05 0.15 0.29 1.23 -0.25 0.00 0.00 175.52 176.98 1ek6 h GLY 111 N 0.80 0.75 0.93 5.82 0.00 -1.00 -0.18 103.07 110.18 1ek6 h GLY 111 Ca 0.32 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 1ek6 h GLY 111 CO -0.16 0.14 -0.08 -0.84 0.00 0.00 0.00 176.54 175.60 1ek6 h THR 112 N 0.56 1.28 -0.48 4.70 2.02 -0.98 -2.16 112.91 117.85 1ek6 h THR 112 Ca 0.23 -1.13 0.03 0.00 0.77 0.00 0.00 66.41 66.30 1ek6 h THR 112 Cb 0.11 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1ek6 h THR 112 CO -0.14 0.37 0.27 0.40 0.37 0.00 0.00 175.52 176.79 1ek6 h ILE 113 N 0.44 1.02 -0.32 3.11 2.04 -0.58 0.13 117.51 123.35 1ek6 h ILE 113 Ca 0.09 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1ek6 h ILE 113 Cb 0.58 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1ek6 h ILE 113 CO 0.03 0.10 0.17 1.56 0.00 0.00 0.00 178.15 180.01 1ek6 h GLN 114 N 0.54 0.34 -0.43 2.37 4.20 -0.97 -0.58 115.11 120.58 1ek6 h GLN 114 Ca 0.20 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.93 1ek6 h GLN 114 Cb 0.05 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 1ek6 h GLN 114 CO -0.11 0.22 0.21 1.25 -0.67 0.00 0.00 178.83 179.73 1ek6 h LEU 115 N 0.35 0.30 -0.87 1.46 5.85 -0.85 0.14 115.31 121.68 1ek6 h LEU 115 Ca 0.13 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1ek6 h LEU 115 Cb 0.03 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1ek6 h LEU 115 CO -0.08 0.21 0.46 -0.07 -0.34 0.00 0.00 178.44 178.62 1ek6 h LEU 116 N 0.42 1.10 -0.38 2.25 3.38 -0.34 -0.18 115.31 121.55 1ek6 h LEU 116 Ca 0.19 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1ek6 h LEU 116 Cb 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1ek6 h LEU 116 CO -0.14 0.89 0.10 -0.33 0.09 0.00 0.00 178.44 179.05 1ek6 h GLU 117 N 1.22 0.61 -0.57 1.13 5.08 -0.66 -0.38 114.58 121.01 1ek6 h GLU 117 Ca 0.30 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1ek6 h GLU 117 Cb 0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1ek6 h GLU 117 CO -0.05 0.64 -0.00 0.82 -1.00 0.00 0.00 179.01 179.42 1ek6 h ILE 118 N 0.47 1.26 0.02 3.13 1.08 -0.75 -1.44 117.51 121.29 1ek6 h ILE 118 Ca 0.12 -1.11 0.01 0.00 -0.39 0.00 0.00 64.86 63.49 1ek6 h ILE 118 Cb 0.30 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 1ek6 h ILE 118 CO 0.00 0.40 -0.08 0.24 -0.69 0.00 0.00 178.15 178.02 1ek6 h MET 119 N 0.90 -0.15 -0.43 2.37 2.86 -0.82 -2.23 114.93 117.43 1ek6 h MET 119 Ca 0.16 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.88 1ek6 h MET 119 Cb 0.53 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.16 1ek6 h MET 119 CO 0.03 -0.10 0.09 -0.22 1.06 0.00 0.00 176.91 177.76 1ek6 h LYS 120 N -0.16 0.21 -0.23 1.72 3.64 -0.90 0.58 116.57 121.44 1ek6 h LYS 120 Ca 0.02 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1ek6 h LYS 120 Cb 0.18 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1ek6 h LYS 120 CO -0.07 0.14 0.17 0.00 -2.27 0.00 0.00 179.45 177.43 1ek6 h ALA 121 N 1.33 2.19 -0.62 5.00 0.00 -1.02 -0.75 119.26 125.38 1ek6 h ALA 121 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ek6 h ALA 121 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ek6 h ALA 121 CO -0.27 -0.29 0.00 0.72 0.00 0.00 0.00 179.25 179.40 1ek6 n HIS 122 N -4.41 0.92 -1.15 0.00 8.25 -0.76 -4.96 115.22 113.12 1ek6 n HIS 122 Ca 0.03 -0.52 -0.05 0.00 -0.26 0.00 0.00 57.72 56.91 1ek6 n HIS 122 Cb 0.32 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.37 1ek6 n HIS 122 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ek6 n GLY 123 N 1.27 0.75 3.49 -1.41 0.00 -0.29 -4.99 105.19 104.02 1ek6 n GLY 123 Ca 0.22 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1ek6 n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ek6 s VAL 124 N -2.09 5.07 -0.23 1.61 1.01 0.12 -4.94 120.40 120.96 1ek6 s VAL 124 Ca 0.00 -0.30 0.13 0.00 0.00 0.00 0.00 61.98 61.81 1ek6 s VAL 124 Cb 0.00 -4.04 0.46 0.00 0.00 0.00 0.00 36.38 32.79 1ek6 s VAL 124 CO 0.00 -0.42 1.18 0.29 0.00 0.00 0.00 175.10 176.15 1ek6 n LYS 125 N 5.64 2.34 -3.97 2.72 5.02 -1.26 -3.82 118.16 124.82 1ek6 n LYS 125 Ca -0.07 -3.59 -0.30 0.00 -2.02 0.00 0.00 58.31 52.34 1ek6 n LYS 125 Cb 0.47 -1.73 -0.16 0.00 -0.02 0.00 0.00 35.03 33.59 1ek6 n LYS 125 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1ek6 s ASN 126 N -3.38 3.18 0.04 4.39 0.01 -1.26 -0.93 114.94 116.99 1ek6 s ASN 126 Ca 0.41 -0.79 0.04 0.00 -0.71 0.00 0.00 52.86 51.80 1ek6 s ASN 126 Cb 0.38 -1.14 -0.02 0.00 0.41 0.00 0.00 41.25 40.88 1ek6 s ASN 126 CO -0.03 -0.15 -0.11 -0.22 -1.51 0.00 0.00 177.10 175.09 1ek6 s LEU 127 N 1.47 2.20 -0.09 0.60 2.96 -0.68 -1.46 118.68 123.67 1ek6 s LEU 127 Ca -0.00 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1ek6 s LEU 127 Cb -0.16 -0.39 0.01 0.00 0.50 0.00 0.00 46.19 46.15 1ek6 s LEU 127 CO -0.08 -0.07 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.02 1ek6 s VAL 128 N -1.02 1.58 -0.03 1.68 1.01 0.31 -0.84 120.40 123.08 1ek6 s VAL 128 Ca -0.03 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.30 1ek6 s VAL 128 Cb -0.08 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1ek6 s VAL 128 CO 0.01 0.45 -0.25 0.12 0.00 0.00 0.00 175.10 175.43 1ek6 s PHE 129 N 0.63 2.30 -0.93 5.22 2.19 -0.39 -1.06 117.98 125.95 1ek6 s PHE 129 Ca -0.14 -0.50 -0.24 0.00 0.33 0.00 0.00 56.93 56.38 1ek6 s PHE 129 Cb -0.16 -1.49 0.02 0.00 -1.31 0.00 0.00 43.02 40.08 1ek6 s PHE 129 CO 0.04 -0.08 1.55 -1.12 1.83 0.00 0.00 175.22 177.44 1ek6 s SER 130 N -0.48 6.09 0.05 6.13 0.01 -1.09 -1.68 113.70 122.73 1ek6 s SER 130 Ca 0.06 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1ek6 s SER 130 Cb -0.11 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1ek6 s SER 130 CO 0.00 -1.87 0.00 -0.24 0.41 0.00 0.00 173.24 171.54 1ek6 n SER 131 N 10.24 0.00 -3.67 2.44 2.88 0.73 -4.97 113.62 121.28 1ek6 n SER 131 Ca 0.29 -0.95 -0.15 0.00 -1.33 0.00 0.00 58.87 56.73 1ek6 n SER 131 Cb 0.50 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 1ek6 n SER 131 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ek6 s SER 132 N -1.00 -0.38 0.39 -3.46 0.15 -1.26 -2.50 113.70 105.64 1ek6 s SER 132 Ca 0.00 0.35 0.24 0.00 0.70 0.00 0.00 55.95 57.24 1ek6 s SER 132 Cb 0.00 0.42 1.32 0.00 -1.71 0.00 0.00 66.02 66.05 1ek6 s SER 132 CO 0.00 -0.50 1.73 0.00 1.20 0.00 0.00 173.24 175.67 1ek6 h ALA 133 N 3.58 1.05 0.00 5.45 0.00 -1.36 -1.68 119.26 126.29 1ek6 h ALA 133 Ca -0.29 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ek6 h ALA 133 Cb 1.16 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ek6 h ALA 133 CO 0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 179.25 179.57 1ek6 h THR 134 N 0.00 0.53 0.00 0.00 1.03 -1.93 -2.16 112.91 110.39 1ek6 h THR 134 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 66.30 1ek6 h THR 134 Cb 0.13 1.07 0.00 0.00 -1.07 0.00 0.00 68.15 68.27 1ek6 h THR 134 CO 0.00 0.02 0.00 -0.37 -0.01 0.00 0.00 175.52 175.16 1ek6 h VAL 135 N 0.00 0.00 0.00 0.00 -1.51 -1.59 -1.44 116.25 111.71 1ek6 h VAL 135 Ca -0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1ek6 h VAL 135 Cb 0.06 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.21 1ek6 h VAL 135 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.12 1ek6 n TYR 136 N -2.82 0.08 -4.57 5.19 4.02 -0.81 -0.51 117.16 117.73 1ek6 n TYR 136 Ca -0.01 0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1ek6 n TYR 136 Cb 0.13 -0.54 0.00 0.00 -0.02 0.00 0.00 39.34 38.90 1ek6 n TYR 136 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ek6 n GLY 137 N 0.87 -0.28 3.69 2.72 0.00 -0.54 -4.55 105.19 107.10 1ek6 n GLY 137 Ca 0.05 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 1ek6 n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ek6 s ASN 138 N -4.00 6.71 0.20 1.61 0.02 -1.26 -4.89 114.94 113.33 1ek6 s ASN 138 Ca 0.00 2.33 -0.33 0.00 -1.02 0.00 0.00 52.86 53.84 1ek6 s ASN 138 Cb 0.00 -2.56 -0.14 0.00 0.02 0.00 0.00 41.25 38.57 1ek6 s ASN 138 CO 0.00 -0.81 1.42 -2.65 0.02 0.00 0.00 177.10 175.08 1ek6 n PRO 139 N 5.44 1.88 0.05 -0.60 -0.02 -1.26 -4.89 135.00 135.60 1ek6 n PRO 139 Ca 0.15 0.67 0.11 0.00 -2.02 0.00 0.00 63.50 62.41 1ek6 n PRO 139 Cb 0.42 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1ek6 n PRO 139 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ek6 n GLN 140 N 2.42 0.50 -3.55 -0.52 6.02 -1.26 -4.97 117.38 116.01 1ek6 n GLN 140 Ca 0.14 -0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.05 1ek6 n GLN 140 Cb 0.29 -1.67 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 1ek6 n GLN 140 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1ek6 s TYR 141 N -3.34 -0.32 0.03 1.08 1.13 -1.26 -5.19 117.35 109.48 1ek6 s TYR 141 Ca -0.01 0.14 0.03 0.00 -1.41 0.00 0.00 57.07 55.82 1ek6 s TYR 141 Cb 0.12 0.57 -0.02 0.00 -1.10 0.00 0.00 41.96 41.53 1ek6 s TYR 141 CO 0.82 -0.65 -0.09 -0.51 -2.51 0.00 0.00 175.55 172.60 1ek6 s LEU 142 N -2.62 2.18 0.76 -3.49 1.43 -1.26 -4.32 118.68 111.35 1ek6 s LEU 142 Ca 0.06 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.62 1ek6 s LEU 142 Cb -0.01 -0.34 0.05 0.00 0.03 0.00 0.00 46.19 45.92 1ek6 s LEU 142 CO -0.07 -0.07 1.09 -2.16 0.23 0.00 0.00 176.35 175.37 1ek6 s PRO 143 N -1.13 2.42 -0.35 1.29 0.04 -1.26 -5.09 135.00 130.92 1ek6 s PRO 143 Ca -0.03 0.68 -0.28 0.00 0.04 0.00 0.00 61.00 61.41 1ek6 s PRO 143 Cb -0.08 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1ek6 s PRO 143 CO 0.01 -1.39 1.05 -0.51 0.04 0.00 0.00 177.00 176.19 1ek6 s LEU 144 N -5.65 3.91 0.29 -3.56 1.43 -0.27 -4.69 118.68 110.14 1ek6 s LEU 144 Ca 0.60 0.88 0.06 0.00 -1.03 0.00 0.00 54.13 54.63 1ek6 s LEU 144 Cb -0.14 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 1ek6 s LEU 144 CO 0.54 -0.92 0.37 1.51 0.23 0.00 0.00 176.35 178.08 1ek6 s ASP 145 N 1.80 5.93 0.60 2.29 -4.77 -1.26 -1.41 116.67 119.86 1ek6 s ASP 145 Ca 0.44 -0.15 0.32 0.00 -3.30 0.00 0.00 52.55 49.86 1ek6 s ASP 145 Cb -0.11 -1.43 1.89 0.00 -1.09 0.00 0.00 42.92 42.17 1ek6 s ASP 145 CO 0.18 -0.25 2.24 -0.33 0.70 0.00 0.00 175.17 177.71 1ek6 h GLU 146 N 1.12 0.00 0.00 2.11 3.07 -1.93 -0.83 114.58 118.12 1ek6 h GLU 146 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 1ek6 h GLU 146 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1ek6 h GLU 146 CO 0.57 0.00 -0.01 0.00 -1.40 0.00 0.00 179.01 178.17 1ek6 n ALA 147 N -2.27 2.35 -1.75 3.43 0.00 -1.26 -4.83 120.51 116.18 1ek6 n ALA 147 Ca -0.02 -0.10 -0.38 0.00 0.00 0.00 0.00 53.44 52.94 1ek6 n ALA 147 Cb 0.14 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.16 1ek6 n ALA 147 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ek6 s HIS 148 N -3.01 2.32 0.48 0.00 5.04 -0.32 -4.89 115.29 114.92 1ek6 s HIS 148 Ca 0.14 1.38 -0.23 0.00 -1.54 0.00 0.00 55.06 54.80 1ek6 s HIS 148 Cb 0.19 -3.78 -0.08 0.00 0.04 0.00 0.00 32.58 28.94 1ek6 s HIS 148 CO 0.54 -2.83 1.22 -2.30 -2.34 0.00 0.00 174.74 169.03 1ek6 n PRO 149 N -0.97 1.66 -4.31 2.88 -0.02 -1.26 -4.99 135.00 128.00 1ek6 n PRO 149 Ca 0.10 0.60 -0.29 0.00 -2.02 0.00 0.00 63.50 61.89 1ek6 n PRO 149 Cb 0.45 -2.37 -0.11 0.00 -0.02 0.00 0.00 33.50 31.45 1ek6 n PRO 149 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ek6 s THR 150 N -1.28 2.82 0.00 3.45 -4.23 -1.26 -4.49 115.64 110.66 1ek6 s THR 150 Ca 0.66 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 1ek6 s THR 150 Cb -0.48 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1ek6 s THR 150 CO 0.54 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 1ek6 n GLY 151 N 0.73 -1.35 2.27 3.99 0.00 0.33 -5.00 105.19 106.16 1ek6 n GLY 151 Ca -0.15 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.56 1ek6 n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ek6 n GLY 152 N -0.32 0.89 3.74 -0.02 0.00 -1.26 -4.08 105.19 104.14 1ek6 n GLY 152 Ca 0.00 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 1ek6 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek6 n THR 154 N -1.84 0.00 -3.98 0.00 -2.24 -1.26 -4.82 114.28 100.14 1ek6 n THR 154 Ca 0.15 -0.26 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 1ek6 n THR 154 Cb 0.49 1.15 -0.08 0.00 -2.10 0.00 0.00 70.33 69.79 1ek6 n THR 154 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ek6 s ASN 155 N -2.44 0.25 0.37 3.42 2.20 -1.26 -5.03 114.94 112.45 1ek6 s ASN 155 Ca 0.20 -0.87 0.05 0.00 -0.94 0.00 0.00 52.86 51.31 1ek6 s ASN 155 Cb 0.18 0.31 0.75 0.00 -2.00 0.00 0.00 41.25 40.49 1ek6 s ASN 155 CO 0.55 -0.71 2.00 -0.65 -2.94 0.00 0.00 177.10 175.34 1ek6 h PRO 156 N 2.86 0.71 0.23 3.55 0.11 -1.89 -0.02 132.00 137.54 1ek6 h PRO 156 Ca -0.34 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 1ek6 h PRO 156 Cb 1.19 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ek6 h PRO 156 CO 0.58 0.47 -0.11 -0.92 -0.21 0.00 0.00 178.00 177.81 1ek6 h TYR 157 N 0.73 -0.29 -0.38 0.65 5.03 -1.86 0.20 116.97 121.04 1ek6 h TYR 157 Ca 0.25 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.55 1ek6 h TYR 157 Cb 0.09 0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 1ek6 h TYR 157 CO -0.00 -0.16 0.23 0.78 -1.32 0.00 0.00 178.16 177.69 1ek6 h GLY 158 N -0.34 0.56 0.77 1.82 0.00 -1.80 -2.27 103.07 101.80 1ek6 h GLY 158 Ca -0.03 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.12 1ek6 h GLY 158 CO 0.05 0.23 0.54 0.50 0.00 0.00 0.00 176.54 177.85 1ek6 h LYS 159 N 0.50 0.97 -0.81 4.80 1.57 -0.85 -1.50 116.57 121.25 1ek6 h LYS 159 Ca 0.14 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1ek6 h LYS 159 Cb 0.01 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 1ek6 h LYS 159 CO -0.03 0.64 0.53 0.66 -0.57 0.00 0.00 179.45 180.68 1ek6 h SER 160 N 0.99 0.91 -0.74 0.86 4.64 -0.14 0.14 113.55 120.21 1ek6 h SER 160 Ca 0.36 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.61 1ek6 h SER 160 Cb 0.12 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 1ek6 h SER 160 CO -0.16 0.64 0.24 0.11 -0.87 0.00 0.00 176.83 176.80 1ek6 h LYS 161 N 1.07 1.15 -0.40 4.77 1.79 -0.83 -1.12 116.57 123.00 1ek6 h LYS 161 Ca 0.31 -0.24 -0.06 0.00 -2.18 0.00 0.00 60.65 58.48 1ek6 h LYS 161 Cb -0.08 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.39 1ek6 h LYS 161 CO -0.08 0.97 0.01 0.35 -1.08 0.00 0.00 179.45 179.62 1ek6 h PHE 162 N 1.11 0.76 -0.61 -1.35 3.57 -0.63 -1.62 116.94 118.16 1ek6 h PHE 162 Ca 0.24 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1ek6 h PHE 162 Cb 0.29 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1ek6 h PHE 162 CO 0.02 0.77 0.38 0.74 -2.23 0.00 0.00 178.31 177.99 1ek6 h PHE 163 N 0.53 0.80 -0.64 0.41 0.04 -0.52 -1.43 116.94 116.13 1ek6 h PHE 163 Ca 0.11 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1ek6 h PHE 163 Cb 0.46 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 1ek6 h PHE 163 CO 0.04 0.53 0.35 0.82 -0.60 0.00 0.00 178.31 179.45 1ek6 h ILE 164 N 0.83 1.21 -0.51 -0.55 2.04 -1.07 0.15 117.51 119.60 1ek6 h ILE 164 Ca 0.22 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1ek6 h ILE 164 Cb -0.04 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1ek6 h ILE 164 CO -0.04 0.23 0.29 -0.33 0.00 0.00 0.00 178.15 178.29 1ek6 h GLU 165 N 0.88 0.55 -0.65 2.37 5.08 -0.81 -1.13 114.58 120.87 1ek6 h GLU 165 Ca 0.23 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1ek6 h GLU 165 Cb 0.05 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1ek6 h GLU 165 CO -0.04 0.36 0.33 0.93 -1.00 0.00 0.00 179.01 179.60 1ek6 h GLU 166 N 0.56 0.92 -0.33 2.33 4.39 -0.72 0.92 114.58 122.66 1ek6 h GLU 166 Ca 0.22 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.80 1ek6 h GLU 166 Cb 0.08 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1ek6 h GLU 166 CO -0.12 0.72 0.22 0.52 -1.16 0.00 0.00 179.01 179.18 1ek6 h MET 167 N 0.89 0.43 -0.50 2.33 2.86 -0.49 -0.46 114.93 119.99 1ek6 h MET 167 Ca 0.23 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.75 1ek6 h MET 167 Cb 0.09 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1ek6 h MET 167 CO -0.03 0.28 -0.04 0.82 1.06 0.00 0.00 176.91 179.00 1ek6 h ILE 168 N 0.44 1.25 -0.82 -1.22 2.04 -0.70 -0.38 117.51 118.13 1ek6 h ILE 168 Ca 0.12 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 1ek6 h ILE 168 Cb -0.04 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1ek6 h ILE 168 CO -0.03 0.39 0.40 -0.09 0.00 0.00 0.00 178.15 178.82 1ek6 h ARG 169 N 0.79 1.17 -0.48 2.37 2.43 -0.44 -1.50 114.38 118.72 1ek6 h ARG 169 Ca 0.14 -0.16 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 1ek6 h ARG 169 Cb 0.53 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1ek6 h ARG 169 CO 0.03 0.89 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.74 1ek6 h ASP 170 N 1.16 1.01 -0.48 -3.80 3.45 -0.58 -0.18 116.42 117.00 1ek6 h ASP 170 Ca 0.28 -0.39 -0.01 0.00 0.43 0.00 0.00 57.03 57.35 1ek6 h ASP 170 Cb 0.10 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.57 1ek6 h ASP 170 CO -0.04 1.17 0.27 0.25 -1.57 0.00 0.00 179.24 179.33 1ek6 h LEU 171 N 0.84 0.59 -0.51 1.55 5.85 -0.71 -1.06 115.31 121.87 1ek6 h LEU 171 Ca 0.11 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 1ek6 h LEU 171 Cb 0.78 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1ek6 h LEU 171 CO 0.06 0.50 -0.08 0.00 -0.34 0.00 0.00 178.44 178.59 1ek6 h GLN 173 N 0.81 0.87 -0.11 0.00 5.75 -0.82 -3.11 115.11 118.51 1ek6 h GLN 173 Ca 0.13 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.37 1ek6 h GLN 173 Cb 0.63 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.07 1ek6 h GLN 173 CO 0.04 0.84 -0.10 0.00 -2.65 0.00 0.00 178.83 176.96 1ek6 h ALA 174 N 1.23 0.16 -3.77 3.38 0.00 -1.00 -3.42 119.26 115.85 1ek6 h ALA 174 Ca 0.16 -0.29 -0.67 0.00 0.00 0.00 0.00 54.91 54.11 1ek6 h ALA 174 Cb 0.42 -0.04 -0.38 0.00 0.00 0.00 0.00 17.79 17.80 1ek6 h ALA 174 CO 0.01 -0.01 -0.76 0.34 0.00 0.00 0.00 179.25 178.84 1ek6 s ASP 175 N -5.99 4.61 0.00 0.00 3.68 -0.06 -4.97 116.67 113.95 1ek6 s ASP 175 Ca -0.15 -1.68 0.08 0.00 2.13 0.00 0.00 52.55 52.93 1ek6 s ASP 175 Cb 0.04 -1.59 0.33 0.00 -1.45 0.00 0.00 42.92 40.25 1ek6 s ASP 175 CO 0.73 -0.27 1.25 2.29 0.13 0.00 0.00 175.17 179.30 1ek6 n LYS 176 N 4.38 0.00 0.01 4.34 2.85 -1.25 -1.67 118.16 126.82 1ek6 n LYS 176 Ca -0.07 0.37 0.14 0.00 -1.05 0.00 0.00 58.31 57.70 1ek6 n LYS 176 Cb 0.42 -1.50 0.53 0.00 -0.65 0.00 0.00 35.03 33.83 1ek6 n LYS 176 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1ek6 n THR 177 N -1.51 0.06 -3.16 0.58 -2.24 -1.26 -4.81 114.28 101.93 1ek6 n THR 177 Ca 0.02 -0.03 -0.38 0.00 -2.27 0.00 0.00 64.05 61.39 1ek6 n THR 177 Cb 0.09 -0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 67.88 1ek6 n THR 177 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1ek6 s TRP 178 N -3.01 3.77 -0.07 4.78 0.52 -0.67 -4.89 118.94 119.37 1ek6 s TRP 178 Ca 0.13 1.37 0.04 0.00 0.02 0.00 0.00 56.10 57.67 1ek6 s TRP 178 Cb 0.18 -2.58 -0.00 0.00 -1.15 0.00 0.00 33.47 29.92 1ek6 s TRP 178 CO 0.57 0.49 -0.21 -0.80 0.02 0.00 0.00 176.95 177.02 1ek6 s ASN 179 N -1.32 2.65 -0.14 2.95 0.01 -0.11 -3.98 114.94 115.00 1ek6 s ASN 179 Ca 0.35 -0.46 -0.08 0.00 -0.71 0.00 0.00 52.86 51.96 1ek6 s ASN 179 Cb -0.19 -1.00 0.05 0.00 0.41 0.00 0.00 41.25 40.52 1ek6 s ASN 179 CO 0.21 0.16 0.34 0.00 -1.51 0.00 0.00 177.10 176.30 1ek6 s ALA 180 N 0.22 -0.83 -0.25 0.60 0.00 -0.16 -1.69 121.76 119.64 1ek6 s ALA 180 Ca -0.11 1.21 -0.04 0.00 0.00 0.00 0.00 51.96 53.02 1ek6 s ALA 180 Cb -0.15 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.24 1ek6 s ALA 180 CO 0.05 -0.22 -0.01 0.08 0.00 0.00 0.00 175.76 175.67 1ek6 s VAL 181 N 1.06 3.41 -0.28 0.00 1.01 -0.02 -0.43 120.40 125.14 1ek6 s VAL 181 Ca -0.07 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 1ek6 s VAL 181 Cb -0.08 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1ek6 s VAL 181 CO -0.08 0.24 0.32 -0.76 0.00 0.00 0.00 175.10 174.82 1ek6 s LEU 182 N 1.44 4.10 -0.32 3.92 1.43 -0.05 -1.26 118.68 127.94 1ek6 s LEU 182 Ca 0.03 0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 1ek6 s LEU 182 Cb -0.16 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.74 1ek6 s LEU 182 CO -0.02 -0.17 0.13 -0.76 0.23 0.00 0.00 176.35 175.76 1ek6 s LEU 183 N 1.98 4.13 -0.84 1.79 1.43 -0.68 -0.97 118.68 125.52 1ek6 s LEU 183 Ca 0.12 -0.70 -0.20 0.00 -1.03 0.00 0.00 54.13 52.32 1ek6 s LEU 183 Cb -0.16 -1.95 0.11 0.00 0.03 0.00 0.00 46.19 44.22 1ek6 s LEU 183 CO 0.10 -0.23 1.05 -0.13 0.23 0.00 0.00 176.35 177.37 1ek6 s ARG 184 N 1.55 3.44 0.49 1.70 0.52 0.38 -0.19 118.95 126.84 1ek6 s ARG 184 Ca 0.03 -1.51 -0.21 0.00 -0.52 0.00 0.00 55.73 53.52 1ek6 s ARG 184 Cb -0.18 -4.69 -0.07 0.00 0.52 0.00 0.00 34.95 30.53 1ek6 s ARG 184 CO 0.05 -1.76 1.15 0.71 0.02 0.00 0.00 175.30 175.46 1ek6 s TYR 185 N 3.00 2.80 0.00 -0.53 2.02 -1.04 -1.24 117.35 122.36 1ek6 s TYR 185 Ca 0.28 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.53 1ek6 s TYR 185 Cb -0.09 -3.33 0.00 0.00 -0.40 0.00 0.00 41.96 38.14 1ek6 s TYR 185 CO -0.03 -1.50 0.00 1.19 -1.57 0.00 0.00 175.55 173.63 1ek6 n PHE 186 N -0.82 0.00 -3.83 2.71 3.72 -0.77 -1.18 117.46 117.29 1ek6 n PHE 186 Ca 0.09 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.17 1ek6 n PHE 186 Cb 0.49 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.92 1ek6 n PHE 186 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1ek6 s ASN 187 N -1.00 4.94 0.30 4.37 -0.87 -0.53 -4.78 114.94 117.37 1ek6 s ASN 187 Ca 0.00 -3.28 -0.30 0.00 -1.57 0.00 0.00 52.86 47.71 1ek6 s ASN 187 Cb 0.00 -1.74 -0.11 0.00 -0.02 0.00 0.00 41.25 39.38 1ek6 s ASN 187 CO 0.00 -0.23 1.60 -2.84 -2.57 0.00 0.00 177.10 173.06 1ek6 s PRO 188 N -0.67 4.11 0.28 -0.60 0.02 -1.26 -0.94 135.00 135.95 1ek6 s PRO 188 Ca 0.20 2.60 -0.10 0.00 0.02 0.00 0.00 61.00 63.72 1ek6 s PRO 188 Cb -0.17 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1ek6 s PRO 188 CO -0.07 -0.64 0.49 -0.08 -0.33 0.00 0.00 177.00 176.37 1ek6 s THR 189 N -0.03 0.00 0.00 0.99 -1.32 0.20 -4.84 115.64 110.64 1ek6 s THR 189 Ca 0.63 -1.44 0.00 0.00 -1.21 0.00 0.00 61.69 59.67 1ek6 s THR 189 Cb -0.48 -2.39 0.00 0.00 -1.51 0.00 0.00 72.50 68.12 1ek6 s THR 189 CO 0.49 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.51 1ek6 n GLY 190 N -0.44 -1.99 3.66 6.08 0.00 -1.26 0.14 105.19 111.38 1ek6 n GLY 190 Ca -0.01 -1.76 -0.07 0.00 0.00 0.00 0.00 46.02 44.18 1ek6 n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek6 s ALA 191 N -1.47 -1.59 0.42 4.61 0.00 -1.26 -4.58 121.76 117.89 1ek6 s ALA 191 Ca 0.00 0.30 -0.25 0.00 0.00 0.00 0.00 51.96 52.01 1ek6 s ALA 191 Cb 0.00 0.68 -0.10 0.00 0.00 0.00 0.00 23.12 23.70 1ek6 s ALA 191 CO 0.00 -0.91 1.24 1.58 0.00 0.00 0.00 175.76 177.67 1ek6 n HIS 192 N -0.40 2.02 0.23 0.00 -0.00 -1.25 -4.75 115.22 111.07 1ek6 n HIS 192 Ca -0.08 0.51 0.16 0.00 0.46 0.00 0.00 57.72 58.77 1ek6 n HIS 192 Cb 0.61 -2.36 0.83 0.00 -0.12 0.00 0.00 29.99 28.96 1ek6 n HIS 192 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ek6 h ALA 193 N 2.00 1.77 0.00 1.57 0.00 -1.92 -1.88 119.26 120.80 1ek6 h ALA 193 Ca -0.47 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1ek6 h ALA 193 Cb 1.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ek6 h ALA 193 CO 0.59 -0.20 -0.15 0.66 0.00 0.00 0.00 179.25 180.16 1ek6 h SER 194 N 0.00 0.00 0.00 0.00 4.64 -1.94 -3.46 113.55 112.79 1ek6 h SER 194 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ek6 h SER 194 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1ek6 h SER 194 CO -0.00 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 1ek6 n GLY 195 N -0.40 0.74 0.07 -0.77 0.00 -0.71 -4.91 105.19 99.22 1ek6 n GLY 195 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 1ek6 n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek6 s ILE 197 N -2.81 0.95 -0.35 0.00 -4.36 -1.26 -5.02 121.20 108.36 1ek6 s ILE 197 Ca 0.00 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1ek6 s ILE 197 Cb 0.10 -2.10 0.00 0.00 1.25 0.00 0.00 42.46 41.71 1ek6 s ILE 197 CO 0.82 -0.52 0.00 0.61 0.24 0.00 0.00 174.94 176.09 1ek6 n GLY 198 N -0.29 -0.80 3.68 6.27 0.00 -1.26 -3.74 105.19 109.06 1ek6 n GLY 198 Ca -0.07 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1ek6 n GLY 198 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ek6 s GLU 199 N -0.14 4.38 -0.79 1.61 2.12 -1.26 -4.77 118.70 119.85 1ek6 s GLU 199 Ca 0.00 1.23 0.02 0.00 0.36 0.00 0.00 54.97 56.58 1ek6 s GLU 199 Cb 0.00 -3.55 0.20 0.00 0.26 0.00 0.00 34.13 31.04 1ek6 s GLU 199 CO 0.00 -0.29 0.65 -3.47 -0.54 0.00 0.00 175.26 171.60 1ek6 n ASP 200 N 5.00 3.61 -4.75 -1.70 2.03 -1.26 -5.01 116.55 114.48 1ek6 n ASP 200 Ca 0.07 -3.21 -0.42 0.00 0.52 0.00 0.00 54.79 51.75 1ek6 n ASP 200 Cb 0.49 -0.88 -0.01 0.00 -0.72 0.00 0.00 41.12 40.00 1ek6 n ASP 200 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1ek6 n PRO 201 N 1.99 2.69 -3.01 -0.67 -0.02 -1.26 -4.93 135.00 129.78 1ek6 n PRO 201 Ca 0.22 0.95 -0.43 0.00 -2.02 0.00 0.00 63.50 62.22 1ek6 n PRO 201 Cb 0.36 -2.72 -0.06 0.00 -0.02 0.00 0.00 33.50 31.06 1ek6 n PRO 201 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ek6 s GLN 202 N -0.81 3.35 1.89 -0.52 -0.21 -1.26 -4.88 119.66 117.21 1ek6 s GLN 202 Ca 0.62 -0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.78 1ek6 s GLN 202 Cb -0.49 -3.95 0.00 0.00 1.00 0.00 0.00 33.01 29.57 1ek6 s GLN 202 CO 0.51 -1.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.00 1ek6 n GLY 203 N 5.01 -0.67 3.68 3.09 0.00 -1.26 -4.82 105.19 110.22 1ek6 n GLY 203 Ca 0.01 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 1ek6 n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ek6 s ILE 204 N 0.00 3.90 0.33 -0.61 -1.09 -1.26 -4.97 121.20 117.50 1ek6 s ILE 204 Ca 0.00 1.20 -0.29 0.00 -2.23 0.00 0.00 60.65 59.33 1ek6 s ILE 204 Cb 0.00 -3.77 -0.10 0.00 -1.58 0.00 0.00 42.46 37.00 1ek6 s ILE 204 CO 0.00 -0.05 1.35 -2.16 -1.23 0.00 0.00 174.94 172.85 1ek6 s PRO 205 N 2.98 4.31 0.14 2.79 0.05 -1.26 -4.92 135.00 139.09 1ek6 s PRO 205 Ca 0.62 2.28 0.22 0.00 0.05 0.00 0.00 61.00 64.17 1ek6 s PRO 205 Cb -0.28 -3.06 -0.09 0.00 0.05 0.00 0.00 34.50 31.12 1ek6 s PRO 205 CO 0.23 -0.27 0.90 0.09 0.05 0.00 0.00 177.00 178.00 1ek6 n ASN 206 N 0.91 0.65 -4.93 6.66 3.02 -1.26 -4.82 115.26 115.49 1ek6 n ASN 206 Ca 0.01 0.25 -0.25 0.00 -0.03 0.00 0.00 54.58 54.57 1ek6 n ASN 206 Cb 0.41 0.78 -0.01 0.00 -0.61 0.00 0.00 39.78 40.36 1ek6 n ASN 206 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1ek6 s ASN 207 N -5.20 6.29 0.06 6.41 0.02 -1.26 -5.05 114.94 116.21 1ek6 s ASN 207 Ca -0.02 0.54 -0.32 0.00 -1.02 0.00 0.00 52.86 52.04 1ek6 s ASN 207 Cb 0.10 -2.07 -0.18 0.00 0.02 0.00 0.00 41.25 39.12 1ek6 s ASN 207 CO 0.82 -0.34 1.52 0.25 0.02 0.00 0.00 177.10 179.36 1ek6 h LEU 208 N 0.69 -0.77 -0.29 0.60 5.85 -2.00 -3.19 115.31 116.20 1ek6 h LEU 208 Ca -0.49 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.27 1ek6 h LEU 208 Cb 1.22 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 1ek6 h LEU 208 CO 0.62 -0.51 0.05 0.24 -0.34 0.00 0.00 178.44 178.50 1ek6 h MET 209 N -0.98 0.15 -0.11 1.25 0.00 -1.96 0.14 114.93 113.41 1ek6 h MET 209 Ca -0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 59.70 59.53 1ek6 h MET 209 Cb 0.72 -0.03 -0.01 0.00 0.00 0.00 0.00 31.60 32.27 1ek6 h MET 209 CO 0.15 0.10 -0.24 -1.00 0.00 0.00 0.00 176.91 175.92 1ek6 h PRO 210 N 0.15 0.20 -0.30 -0.22 0.13 -1.98 0.12 132.00 130.09 1ek6 h PRO 210 Ca 0.13 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.17 1ek6 h PRO 210 Cb 0.14 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 1ek6 h PRO 210 CO -0.18 0.43 0.05 -0.92 -0.23 0.00 0.00 178.00 177.15 1ek6 h TYR 211 N 0.18 0.53 -0.01 1.56 5.03 -1.37 -0.84 116.97 122.05 1ek6 h TYR 211 Ca 0.03 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.27 1ek6 h TYR 211 Cb 0.53 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.66 1ek6 h TYR 211 CO 0.01 0.58 -0.00 0.28 -1.32 0.00 0.00 178.16 177.71 1ek6 h VAL 212 N 0.32 0.99 -0.48 1.81 2.07 -0.05 -1.03 116.25 119.89 1ek6 h VAL 212 Ca 0.09 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1ek6 h VAL 212 Cb 0.34 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1ek6 h VAL 212 CO 0.01 0.00 0.18 0.77 0.02 0.00 0.00 177.57 178.55 1ek6 h SER 213 N 0.00 0.62 0.44 0.57 4.64 -0.76 -1.43 113.55 117.63 1ek6 h SER 213 Ca 0.00 -0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 61.15 1ek6 h SER 213 Cb 0.01 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 1ek6 h SER 213 CO -0.01 0.57 -0.48 1.56 -0.87 0.00 0.00 176.83 177.59 1ek6 h GLN 214 N 0.68 0.06 -0.15 4.77 4.20 -0.79 -2.10 115.11 121.77 1ek6 h GLN 214 Ca 0.16 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 1ek6 h GLN 214 Cb 0.15 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1ek6 h GLN 214 CO -0.01 0.53 -0.17 0.28 -0.67 0.00 0.00 178.83 178.79 1ek6 h VAL 215 N 0.05 1.35 -0.78 -0.54 2.07 -0.50 0.23 116.25 118.13 1ek6 h VAL 215 Ca -0.00 -1.35 0.13 0.00 0.82 0.00 0.00 66.70 66.30 1ek6 h VAL 215 Cb 0.88 1.88 -0.09 0.00 -1.52 0.00 0.00 31.29 32.44 1ek6 h VAL 215 CO 0.07 0.40 0.38 0.00 0.02 0.00 0.00 177.57 178.43 1ek6 h ALA 216 N 0.61 1.13 0.00 1.67 0.00 -1.02 -0.46 119.26 121.19 1ek6 h ALA 216 Ca 0.02 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ek6 h ALA 216 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ek6 h ALA 216 CO 0.04 -0.10 -0.01 1.51 0.00 0.00 0.00 179.25 180.70 1ek6 n ILE 217 N -4.89 0.22 -0.45 0.00 3.06 -0.81 -4.76 119.36 111.71 1ek6 n ILE 217 Ca 0.14 -0.10 0.00 0.00 -2.50 0.00 0.00 62.75 60.29 1ek6 n ILE 217 Cb 0.37 -0.52 0.00 0.00 0.54 0.00 0.00 39.64 40.03 1ek6 n ILE 217 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1ek6 n GLY 218 N 1.43 0.77 0.24 4.50 0.00 -0.18 -4.95 105.19 107.01 1ek6 n GLY 218 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 1ek6 n GLY 218 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ek6 h ARG 219 N 2.67 0.00 -5.63 1.61 2.43 -0.78 -3.43 114.38 111.25 1ek6 h ARG 219 Ca 0.00 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 1ek6 h ARG 219 Cb 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 29.27 1ek6 h ARG 219 CO 0.00 0.00 -0.83 1.03 -1.51 0.00 0.00 179.97 178.67 1ek6 s ARG 220 N -3.39 1.29 0.13 0.20 1.81 -1.00 -4.97 118.95 113.03 1ek6 s ARG 220 Ca 0.05 -0.69 -0.18 0.00 -1.72 0.00 0.00 55.73 53.19 1ek6 s ARG 220 Cb 0.07 -1.28 -0.03 0.00 -0.45 0.00 0.00 34.95 33.25 1ek6 s ARG 220 CO 0.62 0.34 1.73 1.49 -0.68 0.00 0.00 175.30 178.80 1ek6 h GLU 221 N 5.44 0.44 -2.21 3.54 4.81 -1.91 -3.40 114.58 121.30 1ek6 h GLU 221 Ca -0.38 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 58.88 1ek6 h GLU 221 Cb 1.16 -0.09 -0.16 0.00 0.63 0.00 0.00 28.75 30.29 1ek6 h GLU 221 CO 0.47 0.38 0.46 0.00 -0.73 0.00 0.00 179.01 179.59 1ek6 s ALA 222 N -5.84 -1.82 0.17 2.92 0.00 -1.26 -4.78 121.76 111.14 1ek6 s ALA 222 Ca -0.13 1.08 -0.26 0.00 0.00 0.00 0.00 51.96 52.65 1ek6 s ALA 222 Cb 0.09 0.25 -0.08 0.00 0.00 0.00 0.00 23.12 23.38 1ek6 s ALA 222 CO 0.72 -0.61 0.79 -1.17 0.00 0.00 0.00 175.76 175.49 1ek6 s LEU 223 N -2.20 4.60 -0.26 0.00 2.96 0.41 -4.96 118.68 119.23 1ek6 s LEU 223 Ca 0.03 1.68 -0.10 0.00 -0.22 0.00 0.00 54.13 55.51 1ek6 s LEU 223 Cb -0.01 -3.33 -0.05 0.00 0.50 0.00 0.00 46.19 43.31 1ek6 s LEU 223 CO -0.06 0.20 0.16 0.20 -1.32 0.00 0.00 176.35 175.52 1ek6 s ASN 224 N -1.14 5.83 -0.22 3.68 -0.87 -1.26 -0.89 114.94 120.07 1ek6 s ASN 224 Ca 0.36 -0.03 -0.17 0.00 -1.57 0.00 0.00 52.86 51.45 1ek6 s ASN 224 Cb -0.23 -2.07 -0.04 0.00 -0.02 0.00 0.00 41.25 38.89 1ek6 s ASN 224 CO 0.27 -0.02 0.44 -0.69 -2.57 0.00 0.00 177.10 174.53 1ek6 s VAL 225 N 1.58 5.16 -1.15 1.60 1.01 0.24 -4.92 120.40 123.92 1ek6 s VAL 225 Ca 0.07 0.77 -0.18 0.00 0.00 0.00 0.00 61.98 62.64 1ek6 s VAL 225 Cb -0.15 -3.77 0.10 0.00 0.00 0.00 0.00 36.38 32.56 1ek6 s VAL 225 CO 0.08 0.20 1.50 -0.36 0.00 0.00 0.00 175.10 176.52 1ek6 s PHE 226 N 1.62 2.96 0.00 5.22 2.99 -1.26 -0.01 117.98 129.49 1ek6 s PHE 226 Ca 0.20 -1.54 0.00 0.00 0.00 0.00 0.00 56.93 55.59 1ek6 s PHE 226 Cb -0.15 -4.56 0.00 0.00 0.00 0.00 0.00 43.02 38.31 1ek6 s PHE 226 CO 0.09 -1.69 0.00 0.41 -0.00 0.00 0.00 175.22 174.03 1ek6 n GLY 227 N 5.44 -2.23 0.72 4.36 0.00 -0.26 -4.39 105.19 108.82 1ek6 n GLY 227 Ca 0.38 -1.33 0.01 0.00 0.00 0.00 0.00 46.02 45.09 1ek6 n GLY 227 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ek6 n ASN 228 N -1.24 0.29 -1.11 1.61 6.94 -1.25 -4.47 115.26 116.03 1ek6 n ASN 228 Ca 0.00 -2.04 -0.03 0.00 -0.02 0.00 0.00 54.58 52.49 1ek6 n ASN 228 Cb 0.00 -0.23 0.20 0.00 -2.36 0.00 0.00 39.78 37.39 1ek6 n ASN 228 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1ek6 n ASP 229 N 0.07 2.43 -4.92 0.53 3.85 -1.03 -4.25 116.55 113.24 1ek6 n ASP 229 Ca 0.02 -3.77 -0.27 0.00 -0.71 0.00 0.00 54.79 50.06 1ek6 n ASP 229 Cb 0.80 -0.62 0.02 0.00 -1.35 0.00 0.00 41.12 39.97 1ek6 n ASP 229 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1ek6 s TYR 230 N -3.24 3.35 -1.46 2.11 2.02 0.11 -4.94 117.35 115.29 1ek6 s TYR 230 Ca 0.44 0.67 -0.13 0.00 -0.37 0.00 0.00 57.07 57.69 1ek6 s TYR 230 Cb 0.40 -2.58 -0.02 0.00 -0.40 0.00 0.00 41.96 39.35 1ek6 s TYR 230 CO -0.01 -0.63 2.49 -3.47 -1.57 0.00 0.00 175.55 172.35 1ek6 n ASP 231 N -2.46 5.68 -4.35 2.29 4.64 -1.26 -4.06 116.55 117.03 1ek6 n ASP 231 Ca 0.03 -2.71 -0.18 0.00 -1.38 0.00 0.00 54.79 50.56 1ek6 n ASP 231 Cb 0.57 -1.57 -0.10 0.00 -1.04 0.00 0.00 41.12 38.98 1ek6 n ASP 231 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1ek6 s THR 232 N 2.92 0.92 0.23 5.18 -4.23 -1.26 -4.96 115.64 114.43 1ek6 s THR 232 Ca 0.56 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 58.98 1ek6 s THR 232 Cb 0.15 -2.54 0.20 0.00 1.34 0.00 0.00 72.50 71.66 1ek6 s THR 232 CO -0.06 -0.15 1.69 -0.08 -0.54 0.00 0.00 174.62 175.48 1ek6 h GLU 233 N 2.36 0.25 -0.10 3.99 4.57 -1.89 -2.46 114.58 121.31 1ek6 h GLU 233 Ca -0.39 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1ek6 h GLU 233 Cb 1.23 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1ek6 h GLU 233 CO 0.65 0.17 0.00 -0.40 -1.18 0.00 0.00 179.01 178.24 1ek6 n ASP 234 N -5.15 2.54 0.00 1.04 5.68 -1.26 -4.98 116.55 114.42 1ek6 n ASP 234 Ca 0.11 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 1ek6 n ASP 234 Cb 0.38 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1ek6 n ASP 234 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ek6 n GLY 235 N 0.94 2.32 3.96 6.12 0.00 -0.93 -4.88 105.19 112.72 1ek6 n GLY 235 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1ek6 n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ek6 s THR 236 N -2.67 4.10 0.43 2.61 -4.23 -1.26 0.04 115.64 114.66 1ek6 s THR 236 Ca 0.00 -0.54 -0.26 0.00 -1.18 0.00 0.00 61.69 59.71 1ek6 s THR 236 Cb 0.00 -3.50 -0.09 0.00 1.34 0.00 0.00 72.50 70.25 1ek6 s THR 236 CO 0.00 -0.34 1.40 -0.83 -0.54 0.00 0.00 174.62 174.31 1ek6 s GLY 237 N -4.20 2.93 -0.14 3.99 0.00 -1.26 -4.65 107.32 103.99 1ek6 s GLY 237 Ca 0.47 1.42 -0.01 0.00 0.00 0.00 0.00 44.72 46.60 1ek6 s GLY 237 CO 0.37 2.03 -0.11 0.14 0.00 0.00 0.00 173.10 175.53 1ek6 s VAL 238 N -1.21 3.23 0.06 1.40 1.01 -0.13 -1.62 120.40 123.14 1ek6 s VAL 238 Ca 0.59 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1ek6 s VAL 238 Cb -0.43 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1ek6 s VAL 238 CO 0.55 0.51 -0.05 -0.13 0.00 0.00 0.00 175.10 175.99 1ek6 s ARG 239 N 0.43 0.62 -0.89 2.72 1.81 -0.48 -1.45 118.95 121.73 1ek6 s ARG 239 Ca -0.08 -1.10 -0.15 0.00 -1.72 0.00 0.00 55.73 52.68 1ek6 s ARG 239 Cb -0.15 -0.00 0.19 0.00 -0.45 0.00 0.00 34.95 34.54 1ek6 s ARG 239 CO 0.04 -0.05 0.92 0.34 -0.68 0.00 0.00 175.30 175.87 1ek6 s ASP 240 N -2.55 6.76 0.11 0.23 3.68 -1.04 -0.53 116.67 123.33 1ek6 s ASP 240 Ca 0.03 -2.54 -0.30 0.00 2.13 0.00 0.00 52.55 51.86 1ek6 s ASP 240 Cb 0.02 -2.28 -0.07 0.00 -1.45 0.00 0.00 42.92 39.15 1ek6 s ASP 240 CO -0.06 -0.72 1.18 -0.31 0.13 0.00 0.00 175.17 175.39 1ek6 s TYR 241 N 0.93 3.47 -0.03 -5.34 2.02 -1.26 -1.45 117.35 115.70 1ek6 s TYR 241 Ca 0.24 1.39 0.02 0.00 -0.37 0.00 0.00 57.07 58.35 1ek6 s TYR 241 Cb -0.08 -3.39 0.01 0.00 -0.40 0.00 0.00 41.96 38.10 1ek6 s TYR 241 CO -0.09 -1.12 -0.06 -1.50 -1.57 0.00 0.00 175.55 171.21 1ek6 s ILE 242 N 0.54 0.57 0.14 2.71 2.07 -0.11 -4.64 121.20 122.48 1ek6 s ILE 242 Ca 0.55 -0.22 -0.31 0.00 -1.41 0.00 0.00 60.65 59.26 1ek6 s ILE 242 Cb -0.30 -0.54 -0.11 0.00 0.13 0.00 0.00 42.46 41.64 1ek6 s ILE 242 CO 0.32 0.20 1.78 -2.28 -1.91 0.00 0.00 174.94 173.05 1ek6 s HIS 243 N 0.40 2.39 0.48 3.50 5.65 -1.26 -0.63 115.29 125.83 1ek6 s HIS 243 Ca -0.05 0.11 0.23 0.00 0.25 0.00 0.00 55.06 55.61 1ek6 s HIS 243 Cb -0.09 -4.15 1.27 0.00 -1.18 0.00 0.00 32.58 28.43 1ek6 s HIS 243 CO 0.00 -4.62 1.90 -0.24 -0.65 0.00 0.00 174.74 171.13 1ek6 h VAL 244 N 4.44 0.66 -0.57 0.89 3.04 -0.58 0.09 116.25 124.22 1ek6 h VAL 244 Ca -0.45 -0.07 -0.11 0.00 -1.01 0.00 0.00 66.70 65.07 1ek6 h VAL 244 Cb 1.21 0.46 -0.02 0.00 -2.01 0.00 0.00 31.29 30.93 1ek6 h VAL 244 CO 0.95 0.04 -0.07 0.58 -1.01 0.00 0.00 177.57 178.06 1ek6 h VAL 245 N 0.19 1.27 -0.35 1.51 2.07 -1.88 0.11 116.25 119.17 1ek6 h VAL 245 Ca 0.40 -1.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 1ek6 h VAL 245 Cb 1.27 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1ek6 h VAL 245 CO -0.08 0.44 -0.04 0.44 0.02 0.00 0.00 177.57 178.35 1ek6 h ASP 246 N 0.94 0.65 -0.55 0.57 3.32 -1.41 -1.70 116.42 118.24 1ek6 h ASP 246 Ca 0.15 -0.34 0.02 0.00 0.02 0.00 0.00 57.03 56.88 1ek6 h ASP 246 Cb 0.63 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1ek6 h ASP 246 CO 0.04 0.83 0.35 0.25 -1.72 0.00 0.00 179.24 178.99 1ek6 h LEU 247 N 0.45 0.58 -0.50 1.55 5.85 -0.99 -0.96 115.31 121.30 1ek6 h LEU 247 Ca 0.09 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1ek6 h LEU 247 Cb 0.52 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1ek6 h LEU 247 CO 0.03 0.41 0.26 0.00 -0.34 0.00 0.00 178.44 178.80 1ek6 h ALA 248 N 1.23 0.63 -0.25 1.25 0.00 -0.63 -1.42 119.26 120.07 1ek6 h ALA 248 Ca 0.21 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ek6 h ALA 248 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ek6 h ALA 248 CO -0.08 -0.08 0.14 0.87 0.00 0.00 0.00 179.25 180.10 1ek6 h LYS 249 N 0.51 0.33 -0.01 0.00 1.57 -0.60 -1.49 116.57 116.89 1ek6 h LYS 249 Ca 0.22 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1ek6 h LYS 249 Cb 0.11 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1ek6 h LYS 249 CO -0.14 0.25 0.01 0.78 -0.57 0.00 0.00 179.45 179.77 1ek6 h GLY 250 N 0.40 0.00 1.95 3.86 0.00 -0.06 -1.03 103.07 108.19 1ek6 h GLY 250 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.27 1ek6 h GLY 250 CO -0.02 0.00 -0.70 0.45 0.00 0.00 0.00 176.54 176.27 1ek6 h HIS 251 N 0.00 0.07 -0.42 5.60 3.86 -1.20 -0.78 115.15 122.28 1ek6 h HIS 251 Ca 0.00 -0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.04 1ek6 h HIS 251 Cb 0.02 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 1ek6 h HIS 251 CO 0.00 0.74 -0.31 0.82 0.86 0.00 0.00 177.93 180.04 1ek6 h ILE 252 N 0.03 1.27 -0.79 2.45 5.03 -1.23 -1.70 117.51 122.58 1ek6 h ILE 252 Ca -0.01 -1.47 -0.04 0.00 -0.12 0.00 0.00 64.86 63.22 1ek6 h ILE 252 Cb 1.25 1.27 -0.04 0.00 -3.03 0.00 0.00 36.82 36.27 1ek6 h ILE 252 CO 0.10 0.50 0.35 0.00 -0.68 0.00 0.00 178.15 178.41 1ek6 h ALA 253 N 0.86 1.12 -0.58 1.87 0.00 -1.23 -2.00 119.26 119.30 1ek6 h ALA 253 Ca 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1ek6 h ALA 253 Cb 0.88 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1ek6 h ALA 253 CO 0.08 0.64 0.26 0.00 0.00 0.00 0.00 179.25 180.24 1ek6 h ALA 254 N 1.24 0.75 -0.88 0.00 0.00 -0.77 -1.25 119.26 118.34 1ek6 h ALA 254 Ca 0.27 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ek6 h ALA 254 Cb 0.16 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1ek6 h ALA 254 CO -0.03 0.33 0.58 -0.07 0.00 0.00 0.00 179.25 180.06 1ek6 h LEU 255 N 0.79 0.99 -1.01 0.00 3.38 -0.80 -0.97 115.31 117.69 1ek6 h LEU 255 Ca 0.20 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1ek6 h LEU 255 Cb 0.15 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1ek6 h LEU 255 CO -0.02 0.70 0.30 0.03 0.09 0.00 0.00 178.44 179.54 1ek6 h ARG 256 N 1.16 1.01 -0.57 1.13 3.08 -0.94 -2.32 114.38 116.94 1ek6 h ARG 256 Ca 0.33 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 60.15 1ek6 h ARG 256 Cb -0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 1ek6 h ARG 256 CO -0.09 0.80 0.02 -0.22 -1.07 0.00 0.00 179.97 179.42 1ek6 h LYS 257 N 1.00 0.96 -0.48 0.04 1.63 -0.40 -2.64 116.57 116.67 1ek6 h LYS 257 Ca 0.24 -0.27 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1ek6 h LYS 257 Cb 0.15 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 1ek6 h LYS 257 CO -0.03 0.93 0.22 -0.07 -3.45 0.00 0.00 179.45 177.06 1ek6 h LEU 258 N 0.89 0.59 -1.17 5.20 3.38 -0.76 0.29 115.31 123.74 1ek6 h LEU 258 Ca 0.17 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ek6 h LEU 258 Cb 0.49 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ek6 h LEU 258 CO 0.02 0.51 0.00 0.29 0.09 0.00 0.00 178.44 179.35 1ek6 n LYS 259 N -4.39 0.14 -0.04 1.13 4.76 -0.91 -0.39 118.16 118.46 1ek6 n LYS 259 Ca 0.04 0.58 0.12 0.00 -2.87 0.00 0.00 58.31 56.18 1ek6 n LYS 259 Cb 0.12 -1.91 0.42 0.00 -1.84 0.00 0.00 35.03 31.83 1ek6 n LYS 259 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ek6 n GLU 260 N -2.20 1.78 -3.56 1.97 1.02 0.09 -4.91 120.64 114.83 1ek6 n GLU 260 Ca -0.01 -1.15 -0.24 0.00 -0.02 0.00 0.00 57.16 55.74 1ek6 n GLU 260 Cb 0.08 -1.45 0.05 0.00 -0.02 0.00 0.00 31.44 30.10 1ek6 n GLU 260 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ek6 n GLN 261 N 0.38 -2.39 0.00 3.49 1.13 0.47 -4.89 117.38 115.56 1ek6 n GLN 261 Ca 0.18 0.62 0.13 0.00 -1.94 0.00 0.00 57.00 55.98 1ek6 n GLN 261 Cb 0.38 -4.88 0.61 0.00 0.11 0.00 0.00 30.24 26.45 1ek6 n GLN 261 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ek6 n GLY 263 N 1.19 0.15 3.67 0.00 0.00 -1.26 -4.60 105.19 104.35 1ek6 n GLY 263 Ca 0.09 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1ek6 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek6 s ARG 265 N 2.33 0.78 -0.07 0.00 1.81 0.42 -4.95 118.95 119.27 1ek6 s ARG 265 Ca 0.41 -0.65 -0.00 0.00 -1.72 0.00 0.00 55.73 53.77 1ek6 s ARG 265 Cb -0.17 -0.74 0.02 0.00 -0.45 0.00 0.00 34.95 33.62 1ek6 s ARG 265 CO 0.12 0.18 -0.04 0.42 -0.68 0.00 0.00 175.30 175.31 1ek6 s ILE 266 N -0.81 0.62 -0.00 1.52 1.01 -1.26 -0.87 121.20 121.41 1ek6 s ILE 266 Ca -0.00 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1ek6 s ILE 266 Cb -0.07 -0.70 -0.00 0.00 0.01 0.00 0.00 42.46 41.70 1ek6 s ILE 266 CO 0.01 0.28 -0.05 -0.31 0.00 0.00 0.00 174.94 174.87 1ek6 s TYR 267 N 1.53 0.46 0.40 3.97 1.51 -0.14 -4.96 117.35 120.12 1ek6 s TYR 267 Ca -0.01 -0.10 -0.24 0.00 -1.01 0.00 0.00 57.07 55.72 1ek6 s TYR 267 Cb -0.13 -0.30 -0.09 0.00 -0.11 0.00 0.00 41.96 41.33 1ek6 s TYR 267 CO -0.04 -0.01 1.06 -0.80 -1.11 0.00 0.00 175.55 174.65 1ek6 s ASN 268 N -0.15 6.74 -0.53 2.29 0.01 -1.26 -0.47 114.94 121.57 1ek6 s ASN 268 Ca 0.02 2.07 0.04 0.00 -0.71 0.00 0.00 52.86 54.27 1ek6 s ASN 268 Cb -0.02 -2.59 0.14 0.00 0.41 0.00 0.00 41.25 39.19 1ek6 s ASN 268 CO -0.00 -0.51 0.29 -0.76 -1.51 0.00 0.00 177.10 174.61 1ek6 s LEU 269 N -2.61 3.96 0.31 0.60 1.43 -0.37 -4.71 118.68 117.30 1ek6 s LEU 269 Ca 0.58 -3.06 0.03 0.00 -1.03 0.00 0.00 54.13 50.64 1ek6 s LEU 269 Cb -0.23 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1ek6 s LEU 269 CO 0.29 -0.21 0.32 -0.83 0.23 0.00 0.00 176.35 176.14 1ek6 s GLY 270 N -0.32 1.92 -0.09 -3.19 0.00 -1.26 -1.85 107.32 102.52 1ek6 s GLY 270 Ca 0.19 -1.83 0.20 0.00 0.00 0.00 0.00 44.72 43.28 1ek6 s GLY 270 CO -0.03 -1.31 0.34 -1.30 0.00 0.00 0.00 173.10 170.80 1ek6 n THR 271 N -0.55 0.59 -0.03 0.90 -2.24 -1.26 -4.56 114.28 107.13 1ek6 n THR 271 Ca 0.05 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1ek6 n THR 271 Cb 0.63 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1ek6 n THR 271 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ek6 n GLY 272 N 1.46 0.36 3.23 3.38 0.00 -1.25 -4.85 105.19 107.52 1ek6 n GLY 272 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1ek6 n GLY 272 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ek6 s THR 273 N -2.11 2.14 0.01 2.61 2.01 -1.26 -4.75 115.64 114.28 1ek6 s THR 273 Ca 0.00 -0.99 -0.03 0.00 0.31 0.00 0.00 61.69 60.98 1ek6 s THR 273 Cb 0.00 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 1ek6 s THR 273 CO 0.00 0.56 0.20 -0.83 -0.69 0.00 0.00 174.62 173.86 1ek6 s GLY 274 N 0.39 2.19 0.03 4.40 0.00 -1.26 -4.25 107.32 108.81 1ek6 s GLY 274 Ca -0.17 -0.75 0.04 0.00 0.00 0.00 0.00 44.72 43.84 1ek6 s GLY 274 CO 0.08 -0.65 -0.13 -0.19 0.00 0.00 0.00 173.10 172.21 1ek6 s TYR 275 N -1.36 1.15 0.69 1.90 2.02 0.31 -4.85 117.35 117.20 1ek6 s TYR 275 Ca 0.29 -0.33 -0.09 0.00 -0.37 0.00 0.00 57.07 56.57 1ek6 s TYR 275 Cb -0.13 -0.69 0.04 0.00 -0.40 0.00 0.00 41.96 40.78 1ek6 s TYR 275 CO 0.20 0.02 1.03 -1.54 -1.57 0.00 0.00 175.55 173.69 1ek6 s SER 276 N -1.00 5.16 0.13 2.29 1.04 -1.26 -1.38 113.70 118.69 1ek6 s SER 276 Ca 0.01 0.78 -0.20 0.00 0.48 0.00 0.00 55.95 57.02 1ek6 s SER 276 Cb -0.07 -1.54 -0.03 0.00 0.10 0.00 0.00 66.02 64.48 1ek6 s SER 276 CO 0.01 -1.42 1.70 0.58 0.98 0.00 0.00 173.24 175.09 1ek6 h VAL 277 N -0.57 0.79 -0.48 5.02 2.07 -1.57 -0.85 116.25 120.66 1ek6 h VAL 277 Ca -0.45 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1ek6 h VAL 277 Cb 1.28 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1ek6 h VAL 277 CO 0.62 0.00 0.17 -0.07 0.02 0.00 0.00 177.57 178.31 1ek6 h LEU 278 N -0.01 0.63 -0.93 2.57 3.38 -1.94 -0.82 115.31 118.19 1ek6 h LEU 278 Ca 0.10 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1ek6 h LEU 278 Cb 0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ek6 h LEU 278 CO -0.21 0.59 -0.13 1.56 0.09 0.00 0.00 178.44 180.34 1ek6 h GLN 279 N 0.68 0.63 -0.28 1.13 4.20 -1.73 -1.64 115.11 118.10 1ek6 h GLN 279 Ca 0.16 -0.20 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 1ek6 h GLN 279 Cb 0.18 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1ek6 h GLN 279 CO -0.01 0.75 -0.39 0.52 -0.67 0.00 0.00 178.83 179.02 1ek6 h MET 280 N 0.58 0.67 -0.40 1.46 2.86 -0.10 -1.43 114.93 118.57 1ek6 h MET 280 Ca 0.10 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1ek6 h MET 280 Cb 0.56 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1ek6 h MET 280 CO 0.04 0.95 0.25 0.28 1.06 0.00 0.00 176.91 179.49 1ek6 h VAL 281 N 0.55 1.12 -0.48 -2.22 2.07 -0.80 -0.32 116.25 116.17 1ek6 h VAL 281 Ca 0.05 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1ek6 h VAL 281 Cb 0.92 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1ek6 h VAL 281 CO 0.08 0.11 0.16 1.56 0.02 0.00 0.00 177.57 179.51 1ek6 h GLN 282 N 0.53 0.74 -0.25 1.57 1.08 -1.21 -0.85 115.11 116.73 1ek6 h GLN 282 Ca 0.15 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1ek6 h GLN 282 Cb -0.03 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 1ek6 h GLN 282 CO -0.03 0.69 0.09 0.00 -0.95 0.00 0.00 178.83 178.63 1ek6 h ALA 283 N 1.01 1.69 -0.01 3.87 0.00 -0.98 -0.83 119.26 124.02 1ek6 h ALA 283 Ca 0.16 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 1ek6 h ALA 283 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ek6 h ALA 283 CO -0.01 0.25 -0.77 0.52 0.00 0.00 0.00 179.25 179.23 1ek6 h MET 284 N 0.35 0.11 -0.38 0.00 2.86 -0.63 -0.27 114.93 116.97 1ek6 h MET 284 Ca 0.09 -0.11 -0.16 0.00 -2.06 0.00 0.00 59.70 57.46 1ek6 h MET 284 Cb 0.09 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1ek6 h MET 284 CO -0.01 0.83 -0.39 0.93 1.06 0.00 0.00 176.91 179.33 1ek6 h GLU 285 N 0.07 0.93 -0.23 1.72 5.08 -0.36 -0.59 114.58 121.20 1ek6 h GLU 285 Ca -0.02 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1ek6 h GLU 285 Cb 1.36 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1ek6 h GLU 285 CO 0.11 1.15 0.09 -0.22 -1.00 0.00 0.00 179.01 179.14 1ek6 h LYS 286 N 0.76 0.35 -0.45 2.33 3.64 -1.05 0.63 116.57 122.79 1ek6 h LYS 286 Ca 0.06 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1ek6 h LYS 286 Cb 0.99 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1ek6 h LYS 286 CO 0.10 0.41 -0.06 0.00 -2.27 0.00 0.00 179.45 177.62 1ek6 h ALA 287 N 0.93 0.61 0.00 5.00 0.00 -0.94 -3.32 119.26 121.53 1ek6 h ALA 287 Ca 0.08 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1ek6 h ALA 287 Cb 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ek6 h ALA 287 CO -0.01 0.46 -0.99 0.66 0.00 0.00 0.00 179.25 179.38 1ek6 h SER 288 N 0.67 0.00 -0.13 0.00 4.64 -1.07 -3.47 113.55 114.18 1ek6 h SER 288 Ca 0.12 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1ek6 h SER 288 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1ek6 h SER 288 CO 0.04 0.59 -0.05 0.61 -0.87 0.00 0.00 176.83 177.15 1ek6 n GLY 289 N 1.32 0.55 3.64 -0.77 0.00 0.21 -5.00 105.19 105.13 1ek6 n GLY 289 Ca -0.04 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 1ek6 n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ek6 s LYS 290 N -1.43 2.29 0.13 1.61 -0.14 -1.25 -5.08 119.74 115.87 1ek6 s LYS 290 Ca 0.00 -1.35 -0.25 0.00 -1.36 0.00 0.00 55.97 53.01 1ek6 s LYS 290 Cb 0.00 -2.19 -0.07 0.00 -1.68 0.00 0.00 37.83 33.89 1ek6 s LYS 290 CO 0.00 0.39 0.77 0.15 -0.76 0.00 0.00 175.35 175.90 1ek6 s LYS 291 N -3.47 4.55 -0.57 1.68 1.02 -1.26 -4.55 119.74 117.13 1ek6 s LYS 291 Ca 0.30 1.13 0.04 0.00 0.02 0.00 0.00 55.97 57.47 1ek6 s LYS 291 Cb -0.07 -3.29 0.16 0.00 -0.52 0.00 0.00 37.83 34.11 1ek6 s LYS 291 CO 0.19 0.49 0.40 0.42 -0.92 0.00 0.00 175.35 175.94 1ek6 s ILE 292 N -0.85 1.91 0.48 2.17 1.01 -1.26 -4.49 121.20 120.16 1ek6 s ILE 292 Ca 0.37 -3.51 -0.23 0.00 0.00 0.00 0.00 60.65 57.27 1ek6 s ILE 292 Cb -0.22 -2.27 -0.07 0.00 0.01 0.00 0.00 42.46 39.90 1ek6 s ILE 292 CO 0.25 -1.05 1.29 -2.16 0.00 0.00 0.00 174.94 173.28 1ek6 s PRO 293 N -0.70 3.57 0.13 2.79 0.04 -1.26 -4.86 135.00 134.71 1ek6 s PRO 293 Ca 0.26 2.10 -0.02 0.00 0.04 0.00 0.00 61.00 63.38 1ek6 s PRO 293 Cb -0.06 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 1ek6 s PRO 293 CO -0.15 -0.80 0.07 1.52 0.04 0.00 0.00 177.00 177.68 1ek6 s TYR 294 N -1.35 0.83 -0.07 0.56 1.13 -1.26 -0.44 117.35 116.75 1ek6 s TYR 294 Ca 0.65 -1.20 -0.05 0.00 -1.41 0.00 0.00 57.07 55.05 1ek6 s TYR 294 Cb -0.37 -0.45 0.03 0.00 -1.10 0.00 0.00 41.96 40.07 1ek6 s TYR 294 CO 0.45 -0.54 0.18 0.21 -2.51 0.00 0.00 175.55 173.34 1ek6 s LYS 295 N -4.04 0.17 -0.31 -3.49 2.20 -0.07 -4.90 119.74 109.30 1ek6 s LYS 295 Ca 0.24 0.32 -0.27 0.00 -0.36 0.00 0.00 55.97 55.90 1ek6 s LYS 295 Cb 0.07 -0.02 0.01 0.00 -1.51 0.00 0.00 37.83 36.39 1ek6 s LYS 295 CO 0.02 -0.09 0.97 0.08 -0.36 0.00 0.00 175.35 175.97 1ek6 s VAL 296 N 0.59 4.62 0.11 4.02 1.01 -1.26 -0.59 120.40 128.89 1ek6 s VAL 296 Ca -0.04 1.54 0.01 0.00 0.00 0.00 0.00 61.98 63.49 1ek6 s VAL 296 Cb -0.06 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 32.02 1ek6 s VAL 296 CO -0.03 -0.39 0.06 1.33 0.00 0.00 0.00 175.10 176.07 1ek6 n VAL 297 N 5.73 0.00 -1.03 2.92 0.24 0.98 -4.91 118.33 122.26 1ek6 n VAL 297 Ca 0.09 -0.46 -0.32 0.00 -2.04 0.00 0.00 64.34 61.61 1ek6 n VAL 297 Cb 0.47 -0.28 0.13 0.00 -1.47 0.00 0.00 33.84 32.70 1ek6 n VAL 297 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ek6 s ALA 298 N -2.17 1.80 0.63 2.33 0.00 -1.26 -1.11 121.76 121.98 1ek6 s ALA 298 Ca 0.05 0.68 -0.19 0.00 0.00 0.00 0.00 51.96 52.50 1ek6 s ALA 298 Cb -0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1ek6 s ALA 298 CO 0.03 -2.33 1.29 1.03 0.00 0.00 0.00 175.76 175.78 1ek6 s ARG 299 N -4.39 2.68 -0.08 0.00 0.52 -1.26 -3.42 118.95 113.01 1ek6 s ARG 299 Ca 0.69 2.06 -0.14 0.00 -0.52 0.00 0.00 55.73 57.83 1ek6 s ARG 299 Cb -0.25 -1.91 -0.05 0.00 0.52 0.00 0.00 34.95 33.26 1ek6 s ARG 299 CO 0.53 -1.50 0.34 0.50 0.02 0.00 0.00 175.30 175.19 1ek6 s ARG 300 N -3.31 4.00 -0.03 3.54 3.52 -1.26 -4.90 118.95 120.51 1ek6 s ARG 300 Ca 0.81 0.24 -0.38 0.00 -0.13 0.00 0.00 55.73 56.27 1ek6 s ARG 300 Cb -0.37 -3.30 -0.16 0.00 -1.56 0.00 0.00 34.95 29.55 1ek6 s ARG 300 CO 0.40 0.51 1.47 -1.91 -0.81 0.00 0.00 175.30 174.95 1ek6 n GLU 301 N 2.59 1.13 -0.32 5.12 2.13 -1.26 -1.81 120.64 128.22 1ek6 n GLU 301 Ca -0.13 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.10 1ek6 n GLU 301 Cb 0.52 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 30.17 1ek6 n GLU 301 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ek6 n GLY 302 N 3.05 1.56 3.77 8.31 0.00 -1.26 -5.04 105.19 115.58 1ek6 n GLY 302 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1ek6 n GLY 302 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ek6 s ASP 303 N -3.24 6.19 0.22 1.61 1.11 -0.75 -5.03 116.67 116.78 1ek6 s ASP 303 Ca 0.00 2.49 0.06 0.00 0.18 0.00 0.00 52.55 55.27 1ek6 s ASP 303 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 1ek6 s ASP 303 CO 0.00 -0.92 0.21 0.68 1.18 0.00 0.00 175.17 176.32 1ek6 s VAL 304 N -1.39 4.66 0.05 -1.27 -7.23 -1.26 -5.01 120.40 108.94 1ek6 s VAL 304 Ca 0.61 -1.19 -0.25 0.00 -1.81 0.00 0.00 61.98 59.33 1ek6 s VAL 304 Cb -0.34 -3.47 -0.17 0.00 0.56 0.00 0.00 36.38 32.96 1ek6 s VAL 304 CO 0.42 -0.26 1.55 0.00 -0.31 0.00 0.00 175.10 176.49 1ek6 h ALA 305 N 1.73 -0.17 -3.01 1.32 0.00 -1.96 -3.44 119.26 113.75 1ek6 h ALA 305 Ca -0.49 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.16 1ek6 h ALA 305 Cb 1.22 0.06 -0.24 0.00 0.00 0.00 0.00 17.79 18.84 1ek6 h ALA 305 CO 0.62 -0.51 -0.47 0.00 0.00 0.00 0.00 179.25 178.89 1ek6 s ALA 306 N -5.54 -0.45 -0.15 0.00 0.00 -1.26 -0.95 121.76 113.40 1ek6 s ALA 306 Ca -0.14 0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.04 1ek6 s ALA 306 Cb 0.04 -0.13 0.07 0.00 0.00 0.00 0.00 23.12 23.10 1ek6 s ALA 306 CO 0.64 -0.15 0.32 0.00 0.00 0.00 0.00 175.76 176.57 1ek6 s TYR 308 N 2.46 -0.26 0.41 0.00 -0.85 -1.26 -2.50 117.35 115.35 1ek6 s TYR 308 Ca -0.00 0.18 -0.03 0.00 -0.52 0.00 0.00 57.07 56.69 1ek6 s TYR 308 Cb -0.12 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.41 1ek6 s TYR 308 CO -0.10 -0.59 0.67 0.00 -1.52 0.00 0.00 175.55 174.01 1ek6 s ALA 309 N -2.69 3.53 -0.42 9.51 0.00 -1.26 -1.11 121.76 129.31 1ek6 s ALA 309 Ca -0.04 -0.66 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 1ek6 s ALA 309 Cb -0.00 -2.38 0.08 0.00 0.00 0.00 0.00 23.12 20.81 1ek6 s ALA 309 CO -0.04 -0.17 0.28 1.21 0.00 0.00 0.00 175.76 177.04 1ek6 s ASN 310 N -3.97 5.71 0.00 0.00 3.84 -0.50 -3.94 114.94 116.08 1ek6 s ASN 310 Ca 0.44 -1.46 0.13 0.00 0.21 0.00 0.00 52.86 52.18 1ek6 s ASN 310 Cb -0.10 -2.01 0.56 0.00 -0.55 0.00 0.00 41.25 39.14 1ek6 s ASN 310 CO 0.40 -0.55 1.39 -0.81 -2.79 0.00 0.00 177.10 174.75 1ek6 n PRO 311 N 4.96 1.42 -0.07 0.43 -0.04 -1.26 -4.47 135.00 135.97 1ek6 n PRO 311 Ca -0.10 -0.64 -0.11 0.00 -0.04 0.00 0.00 63.50 62.61 1ek6 n PRO 311 Cb 0.43 -1.25 -0.04 0.00 -0.04 0.00 0.00 33.50 32.60 1ek6 n PRO 311 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ek6 h SER 312 N 1.16 0.31 -0.85 3.54 4.64 -1.96 -2.24 113.55 118.15 1ek6 h SER 312 Ca 0.00 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 1ek6 h SER 312 Cb 0.26 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.23 1ek6 h SER 312 CO 0.00 0.42 0.50 0.25 -0.87 0.00 0.00 176.83 177.14 1ek6 h LEU 313 N 0.18 1.03 -0.78 5.97 5.85 -1.97 -0.28 115.31 125.31 1ek6 h LEU 313 Ca 0.07 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1ek6 h LEU 313 Cb 0.22 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1ek6 h LEU 313 CO -0.00 0.80 0.43 0.00 -0.34 0.00 0.00 178.44 179.32 1ek6 h ALA 314 N 1.27 1.00 -0.49 1.25 0.00 -1.82 0.14 119.26 120.62 1ek6 h ALA 314 Ca 0.30 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1ek6 h ALA 314 Cb -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1ek6 h ALA 314 CO -0.06 0.52 0.15 1.96 0.00 0.00 0.00 179.25 181.82 1ek6 h GLN 315 N 1.09 0.77 0.06 0.00 4.20 -0.76 0.24 115.11 120.70 1ek6 h GLN 315 Ca 0.28 -0.17 -0.27 0.00 0.06 0.00 0.00 58.65 58.55 1ek6 h GLN 315 Cb 0.04 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 27.72 1ek6 h GLN 315 CO -0.04 0.72 -1.12 0.93 -0.67 0.00 0.00 178.83 178.65 1ek6 h GLU 316 N 0.66 0.58 0.00 1.46 5.08 -0.71 -3.17 114.58 118.48 1ek6 h GLU 316 Ca 0.16 -0.70 -0.25 0.00 -1.00 0.00 0.00 59.36 57.57 1ek6 h GLU 316 Cb 0.28 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1ek6 h GLU 316 CO -0.00 1.29 -1.92 0.39 -1.00 0.00 0.00 179.01 177.77 1ek6 n GLU 317 N -3.78 0.38 0.23 2.33 -0.58 0.46 -4.48 120.64 115.20 1ek6 n GLU 317 Ca -0.11 0.11 0.13 0.00 -0.42 0.00 0.00 57.16 56.88 1ek6 n GLU 317 Cb 0.92 -1.24 0.33 0.00 -0.57 0.00 0.00 31.44 30.88 1ek6 n GLU 317 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ek6 h LEU 318 N -0.21 0.00 -1.39 -4.62 5.85 -1.38 -3.47 115.31 110.09 1ek6 h LEU 318 Ca -0.38 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.13 1ek6 h LEU 318 Cb 1.49 0.00 0.09 0.00 0.37 0.00 0.00 40.66 42.61 1ek6 h LEU 318 CO -0.13 0.00 -0.42 0.61 -0.34 0.00 0.00 178.44 178.17 1ek6 n GLY 319 N 0.80 0.04 3.17 3.75 0.00 -0.01 -4.82 105.19 108.12 1ek6 n GLY 319 Ca 0.03 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1ek6 n GLY 319 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ek6 s TRP 320 N -3.19 -0.10 0.02 1.61 -0.00 -0.71 -4.99 118.94 111.57 1ek6 s TRP 320 Ca 0.16 0.17 -0.18 0.00 -0.00 0.00 0.00 56.10 56.24 1ek6 s TRP 320 Cb -0.07 0.04 0.03 0.00 -0.00 0.00 0.00 33.47 33.47 1ek6 s TRP 320 CO 0.42 -0.31 0.40 -0.08 -0.00 0.00 0.00 176.95 177.38 1ek6 s THR 321 N -1.11 0.05 -0.19 5.86 -1.32 -1.26 -2.54 115.64 115.13 1ek6 s THR 321 Ca -0.12 -0.43 -0.29 0.00 -1.21 0.00 0.00 61.69 59.64 1ek6 s THR 321 Cb -0.06 -0.85 -0.00 0.00 -1.51 0.00 0.00 72.50 70.08 1ek6 s THR 321 CO 0.03 -0.24 1.09 0.00 -2.21 0.00 0.00 174.62 173.28 1ek6 s ALA 322 N -1.99 3.63 -0.13 11.08 0.00 -1.26 -4.93 121.76 128.16 1ek6 s ALA 322 Ca -0.08 0.29 0.18 0.00 0.00 0.00 0.00 51.96 52.34 1ek6 s ALA 322 Cb -0.02 -3.54 -0.17 0.00 0.00 0.00 0.00 23.12 19.39 1ek6 s ALA 322 CO 0.01 -0.99 0.69 0.00 0.00 0.00 0.00 175.76 175.48 1ek6 n ALA 323 N 6.10 1.98 -2.40 0.00 0.00 -1.26 -4.95 120.51 119.98 1ek6 n ALA 323 Ca 0.12 -0.64 -0.39 0.00 0.00 0.00 0.00 53.44 52.53 1ek6 n ALA 323 Cb 0.46 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 19.02 1ek6 n ALA 323 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ek6 s LEU 324 N -5.60 4.45 0.71 0.00 1.43 -1.26 -5.08 118.68 113.32 1ek6 s LEU 324 Ca -0.04 1.36 0.01 0.00 -1.03 0.00 0.00 54.13 54.43 1ek6 s LEU 324 Cb 0.09 -3.12 0.13 0.00 0.03 0.00 0.00 46.19 43.32 1ek6 s LEU 324 CO 0.82 0.06 0.98 -0.83 0.23 0.00 0.00 176.35 177.61 1ek6 s GLY 325 N -0.19 1.74 0.16 -3.19 0.00 -1.26 -4.68 107.32 99.90 1ek6 s GLY 325 Ca 0.36 -1.89 -0.21 0.00 0.00 0.00 0.00 44.72 42.98 1ek6 s GLY 325 CO 0.21 -1.30 1.63 -2.00 0.00 0.00 0.00 173.10 171.64 1ek6 h LEU 326 N -0.45 -0.74 -0.91 0.66 5.85 -1.98 -1.52 115.31 116.22 1ek6 h LEU 326 Ca -0.34 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1ek6 h LEU 326 Cb 1.27 0.37 -0.05 0.00 0.37 0.00 0.00 40.66 42.62 1ek6 h LEU 326 CO 0.39 -0.25 0.60 0.44 -0.34 0.00 0.00 178.44 179.27 1ek6 h ASP 327 N -0.18 1.03 -0.53 1.25 3.32 -1.95 -1.19 116.42 118.17 1ek6 h ASP 327 Ca 0.17 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1ek6 h ASP 327 Cb 0.45 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1ek6 h ASP 327 CO -0.45 0.74 0.25 0.03 -1.72 0.00 0.00 179.24 178.09 1ek6 h ARG 328 N 1.21 0.76 -0.37 3.56 2.47 -1.88 0.24 114.38 120.38 1ek6 h ARG 328 Ca 0.34 -0.11 0.02 0.00 -1.26 0.00 0.00 59.98 58.97 1ek6 h ARG 328 Cb -0.10 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.05 1ek6 h ARG 328 CO -0.09 0.63 0.20 0.52 0.56 0.00 0.00 179.97 181.80 1ek6 h MET 329 N 0.71 0.40 -0.54 0.04 2.86 -0.72 0.55 114.93 118.22 1ek6 h MET 329 Ca 0.18 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.70 1ek6 h MET 329 Cb 0.12 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1ek6 h MET 329 CO -0.02 0.26 -0.04 0.00 1.06 0.00 0.00 176.91 178.17 1ek6 h GLU 331 N 0.86 0.54 -0.39 0.00 5.08 -0.27 0.72 114.58 121.12 1ek6 h GLU 331 Ca 0.15 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 1ek6 h GLU 331 Cb 0.59 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1ek6 h GLU 331 CO 0.04 0.41 -0.22 -0.44 -1.00 0.00 0.00 179.01 177.80 1ek6 h ASP 332 N 0.51 0.79 -0.17 1.42 3.32 -0.80 -0.95 116.42 120.54 1ek6 h ASP 332 Ca 0.14 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1ek6 h ASP 332 Cb 0.02 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1ek6 h ASP 332 CO -0.02 0.99 0.05 0.25 -1.72 0.00 0.00 179.24 178.79 1ek6 h LEU 333 N 0.68 0.26 -0.66 1.55 5.85 -1.01 -2.17 115.31 119.80 1ek6 h LEU 333 Ca 0.09 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1ek6 h LEU 333 Cb 0.74 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1ek6 h LEU 333 CO 0.06 0.40 0.42 -0.25 -0.34 0.00 0.00 178.44 178.73 1ek6 h TRP 334 N 0.10 0.86 -0.49 1.25 2.91 -0.68 -0.19 115.95 119.70 1ek6 h TRP 334 Ca 0.06 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.11 1ek6 h TRP 334 Cb 0.24 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 28.57 1ek6 h TRP 334 CO 0.00 0.56 0.29 -0.09 -1.03 0.00 0.00 178.44 178.18 1ek6 h ARG 335 N 0.90 0.56 -0.28 2.65 2.43 -1.06 0.15 114.38 119.74 1ek6 h ARG 335 Ca 0.24 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1ek6 h ARG 335 Cb -0.06 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1ek6 h ARG 335 CO -0.05 0.37 0.15 2.35 -1.51 0.00 0.00 179.97 181.29 1ek6 h TRP 336 N 0.58 0.38 -0.69 2.20 2.91 -1.00 -0.62 115.95 119.71 1ek6 h TRP 336 Ca 0.20 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.20 1ek6 h TRP 336 Cb 0.02 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.52 1ek6 h TRP 336 CO -0.07 0.32 0.38 0.37 -1.03 0.00 0.00 178.44 178.41 1ek6 h GLN 337 N 0.33 0.96 -0.24 2.65 5.75 -0.48 -1.15 115.11 122.94 1ek6 h GLN 337 Ca 0.10 -0.11 -0.07 0.00 -0.15 0.00 0.00 58.65 58.42 1ek6 h GLN 337 Cb 0.07 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 1ek6 h GLN 337 CO -0.02 0.72 -0.11 -0.22 -2.65 0.00 0.00 178.83 176.56 1ek6 h LYS 338 N 0.95 0.50 0.00 1.69 3.64 -0.62 -2.50 116.57 120.23 1ek6 h LYS 338 Ca 0.24 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ek6 h LYS 338 Cb 0.04 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1ek6 h LYS 338 CO -0.04 0.76 0.00 1.96 -2.27 0.00 0.00 179.45 179.86 1ek6 h GLN 339 N 0.22 0.00 -2.19 1.90 4.20 -1.06 -3.36 115.11 114.83 1ek6 h GLN 339 Ca 0.06 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.19 1ek6 h GLN 339 Cb 0.60 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.99 1ek6 h GLN 339 CO 0.03 0.00 -0.99 0.09 -0.67 0.00 0.00 178.83 177.30 1ek6 n ASN 340 N -3.08 0.50 -0.27 1.46 3.02 -0.44 -4.98 115.26 111.45 1ek6 n ASN 340 Ca 0.02 -2.70 0.19 0.00 -0.03 0.00 0.00 54.58 52.06 1ek6 n ASN 340 Cb 0.40 -0.62 0.48 0.00 -0.61 0.00 0.00 39.78 39.42 1ek6 n ASN 340 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1ek6 h PRO 341 N 4.59 0.46 -0.33 3.52 0.11 -1.60 -0.11 132.00 138.63 1ek6 h PRO 341 Ca 0.15 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1ek6 h PRO 341 Cb 0.86 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 1ek6 h PRO 341 CO 0.49 0.30 0.01 0.43 -0.21 0.00 0.00 178.00 179.01 1ek6 n SER 342 N -4.56 4.14 0.00 -2.05 7.64 -1.26 -5.02 113.62 112.50 1ek6 n SER 342 Ca 0.21 -3.05 0.00 0.00 1.01 0.00 0.00 58.87 57.04 1ek6 n SER 342 Cb 0.70 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1ek6 n SER 342 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ek6 n GLY 343 N -0.36 0.82 3.80 0.23 0.00 -0.06 -4.83 105.19 104.79 1ek6 n GLY 343 Ca 0.24 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 1ek6 n GLY 343 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ek6 s PHE 344 N 0.00 2.73 0.00 1.61 0.08 -1.26 -4.84 117.98 116.30 1ek6 s PHE 344 Ca 0.00 1.06 0.00 0.00 0.12 0.00 0.00 56.93 58.11 1ek6 s PHE 344 Cb 0.00 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 1ek6 s PHE 344 CO 0.00 -1.96 0.00 0.41 -0.10 0.00 0.00 175.22 173.57 1ek6 n GLY 345 N -2.12 -0.73 0.68 4.36 0.00 -1.26 -5.11 105.19 101.00 1ek6 n GLY 345 Ca 0.07 0.33 0.08 0.00 0.00 0.00 0.00 46.02 46.51 1ek6 n GLY 345 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02