#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ek6 n GLU 3 N 0.00 0.93 -2.48 0.00 0.00 -1.18 -4.71 120.64 113.20 1ek6 n GLU 3 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.83 1ek6 n GLU 3 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 31.44 30.70 1ek6 n GLU 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1ek6 s LYS 4 N -1.41 3.89 -0.24 3.44 -0.14 -1.10 -4.54 119.74 119.63 1ek6 s LYS 4 Ca 0.00 1.11 -0.01 0.00 -1.36 0.00 0.00 55.97 55.72 1ek6 s LYS 4 Cb 0.00 -2.12 0.03 0.00 -1.68 0.00 0.00 37.83 34.06 1ek6 s LYS 4 CO 0.00 -0.33 -0.08 0.08 -0.76 0.00 0.00 175.35 174.26 1ek6 s VAL 5 N -2.36 2.69 0.03 3.17 1.01 -0.27 0.13 120.40 124.80 1ek6 s VAL 5 Ca 0.62 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 1ek6 s VAL 5 Cb -0.12 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1ek6 s VAL 5 CO 0.25 0.19 1.06 -0.22 0.00 0.00 0.00 175.10 176.39 1ek6 s LEU 6 N 1.29 4.38 -0.31 3.92 2.96 -0.36 -1.00 118.68 129.56 1ek6 s LEU 6 Ca -0.01 1.81 0.03 0.00 -0.22 0.00 0.00 54.13 55.74 1ek6 s LEU 6 Cb -0.17 -3.57 0.09 0.00 0.50 0.00 0.00 46.19 43.03 1ek6 s LEU 6 CO -0.05 -0.33 0.00 -0.69 -1.32 0.00 0.00 176.35 173.96 1ek6 s VAL 7 N 0.97 2.09 0.37 1.68 1.01 0.70 -0.20 120.40 127.01 1ek6 s VAL 7 Ca 0.54 -1.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.33 1ek6 s VAL 7 Cb -0.24 -2.43 -0.10 0.00 0.00 0.00 0.00 36.38 33.61 1ek6 s VAL 7 CO 0.29 -0.41 0.87 0.42 0.00 0.00 0.00 175.10 176.27 1ek6 s THR 8 N 1.05 4.47 -1.73 3.92 -4.23 -0.69 -1.94 115.64 116.48 1ek6 s THR 8 Ca 0.04 1.35 0.00 0.00 -1.18 0.00 0.00 61.69 61.90 1ek6 s THR 8 Cb -0.19 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1ek6 s THR 8 CO -0.08 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1ek6 n GLY 9 N -0.30 -0.11 0.00 3.99 0.00 0.12 -2.52 105.19 106.37 1ek6 n GLY 9 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.88 -0.95 0.39 -0.02 0.00 -1.10 -2.45 105.19 100.17 1ek6 n GLY 10 Ca -0.23 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.40 2.93 -1.00 4.61 0.00 -1.26 -1.81 120.51 122.58 1ek6 n ALA 11 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1ek6 n ALA 11 Cb 0.16 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.30 -1.17 0.09 0.00 0.00 -1.03 -4.68 105.19 99.70 1ek6 n GLY 12 Ca 0.14 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.95 -0.22 -0.34 1.61 3.20 -1.87 -0.87 116.97 117.53 1ek6 h TYR 13 Ca 0.00 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 1ek6 h TYR 13 Cb 0.00 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1ek6 h TYR 13 CO 0.00 -0.12 -0.33 0.82 -1.64 0.00 0.00 178.16 176.89 1ek6 h ILE 14 N -0.21 1.28 -0.42 1.81 2.04 -1.95 -3.11 117.51 116.95 1ek6 h ILE 14 Ca -0.02 -1.48 0.01 0.00 1.00 0.00 0.00 64.86 64.37 1ek6 h ILE 14 Cb 0.16 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1ek6 h ILE 14 CO 0.02 0.49 0.27 1.23 0.00 0.00 0.00 178.15 180.16 1ek6 h GLY 15 N 0.94 0.59 1.01 5.37 0.00 -1.77 -1.12 103.07 108.08 1ek6 h GLY 15 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1ek6 h GLY 15 CO 0.08 0.20 0.47 1.48 0.00 0.00 0.00 176.54 178.76 1ek6 h SER 16 N 0.55 0.86 0.09 0.19 4.64 -0.36 0.30 113.55 119.82 1ek6 h SER 16 Ca 0.16 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 1ek6 h SER 16 Cb -0.05 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.81 1ek6 h SER 16 CO -0.04 0.64 -0.27 0.45 -0.87 0.00 0.00 176.83 176.74 1ek6 h HIS 17 N 1.00 0.33 -0.20 4.77 -0.00 -1.42 -2.25 115.15 117.37 1ek6 h HIS 17 Ca 0.27 -0.07 -0.19 0.00 -0.00 0.00 0.00 60.37 60.38 1ek6 h HIS 17 Cb -0.08 -0.08 0.01 0.00 -0.00 0.00 0.00 27.41 27.25 1ek6 h HIS 17 CO -0.02 0.55 -0.61 1.15 -0.00 0.00 0.00 177.93 179.00 1ek6 h THR 18 N 0.27 1.29 -0.95 2.45 2.02 -0.22 -1.75 112.91 116.02 1ek6 h THR 18 Ca 0.04 -1.82 0.07 0.00 0.77 0.00 0.00 66.41 65.47 1ek6 h THR 18 Cb 0.63 1.87 -0.07 0.00 -1.74 0.00 0.00 68.15 68.84 1ek6 h THR 18 CO 0.05 0.58 0.62 0.58 0.37 0.00 0.00 175.52 177.71 1ek6 h VAL 19 N 0.50 1.05 0.14 3.16 2.07 -0.25 0.14 116.25 123.06 1ek6 h VAL 19 Ca -0.02 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1ek6 h VAL 19 Cb 1.23 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1ek6 h VAL 19 CO 0.13 0.20 -0.07 0.25 0.02 0.00 0.00 177.57 178.10 1ek6 h LEU 20 N 1.07 -0.16 -0.94 2.57 6.46 -1.16 -0.67 115.31 122.48 1ek6 h LEU 20 Ca 0.42 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 58.14 1ek6 h LEU 20 Cb 0.24 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.16 1ek6 h LEU 20 CO -0.17 -0.07 0.55 -0.33 -0.62 0.00 0.00 178.44 177.80 1ek6 h GLU 21 N -0.23 1.29 -0.24 1.25 4.39 -0.60 -1.43 114.58 119.01 1ek6 h GLU 21 Ca -0.02 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 1ek6 h GLU 21 Cb 0.18 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1ek6 h GLU 21 CO 0.03 0.91 0.14 -0.07 -1.16 0.00 0.00 179.01 178.87 1ek6 h LEU 22 N 1.30 0.29 -0.58 1.33 3.38 -0.47 -1.57 115.31 119.00 1ek6 h LEU 22 Ca 0.33 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1ek6 h LEU 22 Cb -0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1ek6 h LEU 22 CO -0.06 0.25 0.33 -0.07 0.09 0.00 0.00 178.44 178.98 1ek6 h LEU 23 N 0.30 0.71 -1.69 1.67 3.38 -0.79 -0.33 115.31 118.55 1ek6 h LEU 23 Ca 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1ek6 h LEU 23 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1ek6 h LEU 23 CO -0.02 0.57 0.10 -0.33 0.09 0.00 0.00 178.44 178.86 1ek6 h GLU 24 N 0.78 0.30 -0.05 1.13 4.39 -1.05 -1.74 114.58 118.34 1ek6 h GLU 24 Ca 0.21 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1ek6 h GLU 24 Cb 0.01 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1ek6 h GLU 24 CO -0.04 0.24 0.00 0.00 -1.16 0.00 0.00 179.01 178.06 1ek6 n ALA 25 N -2.50 2.59 -0.38 3.43 0.00 -0.61 -4.91 120.51 118.14 1ek6 n ALA 25 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1ek6 n ALA 25 Cb 0.11 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 1.02 0.72 3.90 0.00 0.00 -0.65 -5.06 105.19 105.11 1ek6 n GLY 26 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.55 3.29 -0.56 1.61 2.02 -0.21 -5.00 117.35 115.95 1ek6 s TYR 27 Ca 0.00 0.88 0.01 0.00 -0.37 0.00 0.00 57.07 57.59 1ek6 s TYR 27 Cb 0.00 -2.95 0.14 0.00 -0.40 0.00 0.00 41.96 38.75 1ek6 s TYR 27 CO 0.00 -1.05 0.33 -0.51 -1.57 0.00 0.00 175.55 172.75 1ek6 s LEU 28 N -5.22 4.77 0.40 -1.29 1.43 -1.26 -4.27 118.68 113.24 1ek6 s LEU 28 Ca 0.57 -2.88 -0.17 0.00 -1.03 0.00 0.00 54.13 50.62 1ek6 s LEU 28 Cb -0.11 -1.74 -0.09 0.00 0.03 0.00 0.00 46.19 44.28 1ek6 s LEU 28 CO 0.49 -0.31 0.85 -2.16 0.23 0.00 0.00 176.35 175.45 1ek6 s PRO 29 N -0.10 4.04 -0.12 1.29 0.04 -1.26 -1.11 135.00 137.78 1ek6 s PRO 29 Ca 0.16 0.84 -0.00 0.00 0.04 0.00 0.00 61.00 62.04 1ek6 s PRO 29 Cb -0.23 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.04 1ek6 s PRO 29 CO -0.02 0.01 -0.09 0.08 0.04 0.00 0.00 177.00 177.01 1ek6 s VAL 30 N -2.19 1.15 0.02 -0.36 1.01 -0.17 -3.90 120.40 115.96 1ek6 s VAL 30 Ca 0.57 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.21 1ek6 s VAL 30 Cb -0.10 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1ek6 s VAL 30 CO 0.20 0.39 -0.03 -0.69 0.00 0.00 0.00 175.10 174.97 1ek6 s VAL 31 N 1.63 3.93 0.04 2.92 1.01 0.12 -0.22 120.40 129.83 1ek6 s VAL 31 Ca 0.04 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1ek6 s VAL 31 Cb -0.13 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1ek6 s VAL 31 CO -0.08 0.34 -0.12 0.27 0.00 0.00 0.00 175.10 175.50 1ek6 s ILE 32 N -1.09 0.97 -0.11 2.22 -4.36 -0.82 -0.78 121.20 117.22 1ek6 s ILE 32 Ca 0.19 -0.96 -0.30 0.00 -0.26 0.00 0.00 60.65 59.32 1ek6 s ILE 32 Cb -0.11 -0.89 0.10 0.00 1.25 0.00 0.00 42.46 42.80 1ek6 s ILE 32 CO 0.10 -0.06 0.86 -0.62 0.24 0.00 0.00 174.94 175.47 1ek6 s ASP 33 N -1.15 -0.49 0.00 4.36 2.15 -1.21 0.15 116.67 120.48 1ek6 s ASP 33 Ca -0.00 0.54 0.16 0.00 0.43 0.00 0.00 52.55 53.68 1ek6 s ASP 33 Cb -0.08 0.40 0.14 0.00 -0.30 0.00 0.00 42.92 43.09 1ek6 s ASP 33 CO 0.01 -0.45 1.03 -0.46 -0.17 0.00 0.00 175.17 175.13 1ek6 n ASN 34 N 0.81 2.41 -0.98 -0.34 6.94 -1.09 -1.62 115.26 121.38 1ek6 n ASN 34 Ca -0.14 -1.69 -0.13 0.00 -0.02 0.00 0.00 54.58 52.60 1ek6 n ASN 34 Cb 0.58 -0.02 -0.06 0.00 -2.36 0.00 0.00 39.78 37.92 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 0.92 0.00 -0.06 -2.53 3.01 -1.26 -4.89 117.46 112.64 1ek6 n PHE 35 Ca 0.10 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.61 1ek6 n PHE 35 Cb 0.41 -2.36 0.41 0.00 -0.01 0.00 0.00 39.48 37.93 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 0.58 -0.28 1.38 2.76 -1.99 -3.23 115.15 114.37 1ek6 h HIS 36 Ca -0.26 0.01 -0.23 0.00 -2.20 0.00 0.00 60.37 57.69 1ek6 h HIS 36 Cb 0.86 -0.20 -0.36 0.00 1.55 0.00 0.00 27.41 29.26 1ek6 h HIS 36 CO 0.37 0.35 -1.00 -1.71 -1.30 0.00 0.00 177.93 174.64 1ek6 n ASN 37 N -4.47 1.79 -3.85 3.26 5.15 -1.26 -4.84 115.26 111.04 1ek6 n ASN 37 Ca 0.06 -2.39 -0.12 0.00 -0.60 0.00 0.00 54.58 51.53 1ek6 n ASN 37 Cb 0.12 -0.41 -0.11 0.00 -0.53 0.00 0.00 39.78 38.86 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 -2.43 -0.37 0.12 5.20 0.00 -1.22 -4.28 121.76 118.78 1ek6 s ALA 38 Ca 0.33 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 1ek6 s ALA 38 Cb 0.36 -0.06 -0.07 0.00 0.00 0.00 0.00 23.12 23.36 1ek6 s ALA 38 CO -0.08 -0.16 1.11 0.12 0.00 0.00 0.00 175.76 176.76 1ek6 s PHE 39 N -0.76 3.56 -0.08 0.00 2.19 -1.26 -4.70 117.98 116.93 1ek6 s PHE 39 Ca -0.08 1.53 -0.30 0.00 0.33 0.00 0.00 56.93 58.41 1ek6 s PHE 39 Cb -0.05 -3.29 -0.02 0.00 -1.31 0.00 0.00 43.02 38.35 1ek6 s PHE 39 CO 0.01 -0.71 1.01 1.03 1.83 0.00 0.00 175.22 178.39 1ek6 s ARG 40 N 0.19 4.45 1.04 10.12 0.52 -1.26 -3.41 118.95 130.59 1ek6 s ARG 40 Ca 0.52 1.41 -0.13 0.00 -0.52 0.00 0.00 55.73 57.02 1ek6 s ARG 40 Cb -0.28 -3.52 0.21 0.00 0.52 0.00 0.00 34.95 31.87 1ek6 s ARG 40 CO 0.32 -0.27 1.08 0.20 0.02 0.00 0.00 175.30 176.66 1ek6 s GLY 41 N 1.10 1.56 0.07 -3.53 0.00 -1.21 -4.54 107.32 100.77 1ek6 s GLY 41 Ca 0.50 -0.38 -0.20 0.00 0.00 0.00 0.00 44.72 44.64 1ek6 s GLY 41 CO 0.20 0.27 1.53 -1.33 0.00 0.00 0.00 173.10 173.77 1ek6 h GLY 42 N -2.04 0.35 0.00 0.20 0.00 -1.91 -3.45 103.07 96.23 1ek6 h GLY 42 Ca -0.56 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1ek6 h GLY 42 CO 0.57 0.23 0.00 0.61 0.00 0.00 0.00 176.54 177.94 1ek6 n GLY 43 N -0.38 1.66 0.21 4.60 0.00 -1.26 -4.97 105.19 105.05 1ek6 n GLY 43 Ca -0.04 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 1ek6 n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ek6 h SER 44 N 0.00 0.57 -3.93 1.61 4.64 -2.03 -3.43 113.55 110.98 1ek6 h SER 44 Ca 0.00 -0.07 -0.48 0.00 -0.47 0.00 0.00 61.79 60.77 1ek6 h SER 44 Cb 0.00 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1ek6 h SER 44 CO 0.00 0.47 0.41 -0.76 -0.87 0.00 0.00 176.83 176.08 1ek6 s LEU 45 N -10.03 4.21 0.77 5.97 1.43 -1.26 -4.90 118.68 114.87 1ek6 s LEU 45 Ca -0.13 2.02 -0.12 0.00 -1.03 0.00 0.00 54.13 54.87 1ek6 s LEU 45 Cb 0.11 -4.10 0.06 0.00 0.03 0.00 0.00 46.19 42.29 1ek6 s LEU 45 CO 0.74 -0.38 1.13 -2.84 0.23 0.00 0.00 176.35 175.23 1ek6 s PRO 46 N -2.32 2.09 0.15 1.29 0.02 -1.26 -3.30 135.00 131.68 1ek6 s PRO 46 Ca 0.55 1.40 -0.18 0.00 0.02 0.00 0.00 61.00 62.79 1ek6 s PRO 46 Cb -0.22 -1.86 0.05 0.00 0.02 0.00 0.00 34.50 32.48 1ek6 s PRO 46 CO 0.28 -1.80 1.70 1.49 -0.33 0.00 0.00 177.00 178.34 1ek6 h GLU 47 N -0.89 0.06 -0.63 5.54 4.57 -1.79 -0.34 114.58 121.10 1ek6 h GLU 47 Ca -0.45 -0.00 0.10 0.00 -1.18 0.00 0.00 59.36 57.83 1ek6 h GLU 47 Cb 1.25 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.75 1ek6 h GLU 47 CO 0.50 0.04 0.24 0.66 -1.18 0.00 0.00 179.01 179.26 1ek6 h SER 48 N 0.06 0.23 0.28 1.04 4.64 -1.87 -1.84 113.55 116.09 1ek6 h SER 48 Ca 0.15 0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 61.38 1ek6 h SER 48 Cb 0.21 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1ek6 h SER 48 CO -0.27 0.13 -0.70 -0.07 -0.87 0.00 0.00 176.83 175.05 1ek6 h LEU 49 N 0.41 0.44 -0.95 5.97 3.38 -1.77 -1.93 115.31 120.87 1ek6 h LEU 49 Ca 0.32 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ek6 h LEU 49 Cb 0.41 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1ek6 h LEU 49 CO -0.32 1.00 0.53 -0.09 0.09 0.00 0.00 178.44 179.65 1ek6 h ARG 50 N 0.26 1.26 -0.72 1.13 2.43 -0.62 0.17 114.38 118.29 1ek6 h ARG 50 Ca -0.02 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 1ek6 h ARG 50 Cb 1.26 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 1ek6 h ARG 50 CO 0.12 0.90 0.27 0.00 -1.51 0.00 0.00 179.97 179.75 1ek6 h ARG 51 N 1.27 1.09 -0.55 0.20 3.08 -1.18 -0.15 114.38 118.14 1ek6 h ARG 51 Ca 0.32 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 1ek6 h ARG 51 Cb -0.01 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 1ek6 h ARG 51 CO -0.06 0.91 -0.04 0.28 -1.07 0.00 0.00 179.97 179.99 1ek6 h VAL 52 N 1.04 1.26 -0.78 2.04 2.07 -0.66 0.15 116.25 121.39 1ek6 h VAL 52 Ca 0.24 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.62 1ek6 h VAL 52 Cb 0.24 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1ek6 h VAL 52 CO -0.02 0.41 0.50 -0.61 0.02 0.00 0.00 177.57 177.88 1ek6 h GLN 53 N 0.88 0.97 -0.33 1.57 4.15 0.05 -0.81 115.11 121.60 1ek6 h GLN 53 Ca 0.15 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 1ek6 h GLN 53 Cb 0.57 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1ek6 h GLN 53 CO 0.03 0.64 -0.18 0.93 -1.93 0.00 0.00 178.83 178.32 1ek6 h GLU 54 N 0.99 0.71 -0.51 1.69 5.08 -0.58 -0.48 114.58 121.48 1ek6 h GLU 54 Ca 0.30 -0.32 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1ek6 h GLU 54 Cb -0.04 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1ek6 h GLU 54 CO -0.09 0.92 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.65 1ek6 h LEU 55 N 0.48 0.97 0.00 1.33 3.38 -0.71 -3.27 115.31 117.48 1ek6 h LEU 55 Ca 0.07 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 1ek6 h LEU 55 Cb 0.72 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1ek6 h LEU 55 CO 0.05 1.09 -1.21 0.71 0.09 0.00 0.00 178.44 179.17 1ek6 h THR 56 N 0.86 0.50 0.00 0.22 1.35 -1.19 -3.48 112.91 111.18 1ek6 h THR 56 Ca 0.13 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 1ek6 h THR 56 Cb 0.67 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 1ek6 h THR 56 CO 0.05 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 1ek6 n GLY 57 N 1.34 0.70 3.38 5.82 0.00 -0.19 -5.00 105.19 111.24 1ek6 n GLY 57 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.19 1.63 0.41 1.61 1.81 -1.19 -5.03 118.95 117.99 1ek6 s ARG 58 Ca 0.00 -1.22 -0.26 0.00 -1.72 0.00 0.00 55.73 52.53 1ek6 s ARG 58 Cb 0.00 -1.96 -0.09 0.00 -0.45 0.00 0.00 34.95 32.45 1ek6 s ARG 58 CO 0.00 0.48 1.31 -1.12 -0.68 0.00 0.00 175.30 175.30 1ek6 s SER 59 N -1.68 6.30 -0.30 0.23 0.01 -1.26 -4.44 113.70 112.56 1ek6 s SER 59 Ca 0.13 2.67 -0.07 0.00 1.31 0.00 0.00 55.95 60.00 1ek6 s SER 59 Cb -0.10 -2.64 0.02 0.00 0.21 0.00 0.00 66.02 63.51 1ek6 s SER 59 CO 0.05 -0.86 0.08 -0.69 0.41 0.00 0.00 173.24 172.23 1ek6 s VAL 60 N -1.25 3.88 -0.07 3.43 1.01 -1.26 -4.95 120.40 121.19 1ek6 s VAL 60 Ca 0.57 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 1ek6 s VAL 60 Cb -0.38 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1ek6 s VAL 60 CO 0.50 0.03 0.87 -1.61 0.00 0.00 0.00 175.10 174.89 1ek6 s GLU 61 N 1.47 4.45 0.01 2.72 2.02 -1.25 -5.00 118.70 123.11 1ek6 s GLU 61 Ca 0.02 1.17 -0.02 0.00 0.02 0.00 0.00 54.97 56.16 1ek6 s GLU 61 Cb -0.18 -3.49 -0.01 0.00 0.10 0.00 0.00 34.13 30.55 1ek6 s GLU 61 CO 0.02 -0.11 0.03 0.12 0.02 0.00 0.00 175.26 175.34 1ek6 s PHE 62 N 1.33 0.13 -0.04 1.61 5.36 -1.26 -0.71 117.98 124.41 1ek6 s PHE 62 Ca 0.44 -0.28 -0.02 0.00 -0.96 0.00 0.00 56.93 56.12 1ek6 s PHE 62 Cb -0.19 -0.11 0.03 0.00 -0.34 0.00 0.00 43.02 42.42 1ek6 s PHE 62 CO 0.20 -0.18 0.09 -1.21 -1.46 0.00 0.00 175.22 172.67 1ek6 s GLU 63 N -1.11 0.03 -0.13 10.12 0.41 0.04 -4.96 118.70 123.10 1ek6 s GLU 63 Ca -0.12 0.30 -0.29 0.00 -0.41 0.00 0.00 54.97 54.44 1ek6 s GLU 63 Cb -0.07 -0.22 -0.02 0.00 -1.78 0.00 0.00 34.13 32.04 1ek6 s GLU 63 CO -0.00 -0.18 1.15 -2.00 -0.49 0.00 0.00 175.26 173.74 1ek6 s GLU 64 N 1.19 4.32 -0.02 1.61 2.12 -1.26 -3.28 118.70 123.38 1ek6 s GLU 64 Ca -0.08 1.56 -0.29 0.00 0.36 0.00 0.00 54.97 56.51 1ek6 s GLU 64 Cb -0.12 -3.63 0.10 0.00 0.26 0.00 0.00 34.13 30.75 1ek6 s GLU 64 CO -0.05 -0.52 0.92 0.00 -0.54 0.00 0.00 175.26 175.07 1ek6 s MET 65 N 2.70 0.78 -0.15 4.30 0.23 -0.64 -4.92 119.30 121.60 1ek6 s MET 65 Ca 0.52 -0.29 -0.05 0.00 -1.03 0.00 0.00 55.69 54.84 1ek6 s MET 65 Cb -0.21 0.36 -0.03 0.00 -1.53 0.00 0.00 34.83 33.41 1ek6 s MET 65 CO 0.16 -0.34 0.00 0.34 -2.03 0.00 0.00 175.02 173.15 1ek6 s ASP 66 N -2.47 5.16 0.19 -1.18 -1.08 -1.26 -2.67 116.67 113.36 1ek6 s ASP 66 Ca 0.06 -0.01 0.16 0.00 -0.52 0.00 0.00 52.55 52.24 1ek6 s ASP 66 Cb -0.01 -1.78 0.77 0.00 -1.46 0.00 0.00 42.92 40.44 1ek6 s ASP 66 CO -0.08 0.21 1.48 2.30 0.52 0.00 0.00 175.17 179.60 1ek6 n ILE 67 N 3.26 1.25 1.66 4.11 -5.35 -1.26 -1.29 119.36 121.74 1ek6 n ILE 67 Ca -0.17 0.53 0.15 0.00 -0.27 0.00 0.00 62.75 62.98 1ek6 n ILE 67 Cb 0.53 -1.49 0.68 0.00 -1.74 0.00 0.00 39.64 37.62 1ek6 n ILE 67 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ek6 n LEU 68 N -1.98 0.85 -4.29 7.28 4.77 -1.26 -4.52 117.00 117.86 1ek6 n LEU 68 Ca 0.00 -0.27 -0.45 0.00 -0.03 0.00 0.00 56.01 55.26 1ek6 n LEU 68 Cb 0.08 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 1ek6 n LEU 68 CO 0.09 0.14 0.15 -0.62 -1.33 0.00 0.00 177.39 175.83 1ek6 s ASP 69 N -2.06 6.17 0.27 -1.43 -1.08 -0.41 -4.92 116.67 113.22 1ek6 s ASP 69 Ca 0.40 -1.97 -0.02 0.00 -0.52 0.00 0.00 52.55 50.45 1ek6 s ASP 69 Cb 0.21 -2.17 0.44 0.00 -1.46 0.00 0.00 42.92 39.94 1ek6 s ASP 69 CO 0.37 -0.78 1.87 -0.61 0.52 0.00 0.00 175.17 176.54 1ek6 h GLN 70 N 8.61 1.10 0.33 4.34 4.15 -1.86 -1.16 115.11 130.62 1ek6 h GLN 70 Ca -0.22 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.13 1ek6 h GLN 70 Cb 1.08 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 28.51 1ek6 h GLN 70 CO 0.96 0.73 -0.27 0.78 -1.93 0.00 0.00 178.83 179.10 1ek6 h GLY 71 N 1.14 -0.65 0.95 2.39 0.00 -1.97 0.33 103.07 105.26 1ek6 h GLY 71 Ca 0.45 0.31 0.02 0.00 0.00 0.00 0.00 47.33 48.11 1ek6 h GLY 71 CO -0.20 -0.25 0.49 0.00 0.00 0.00 0.00 176.54 176.58 1ek6 h ALA 72 N -0.03 0.96 -0.69 3.60 0.00 -1.87 -1.73 119.26 119.50 1ek6 h ALA 72 Ca -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ek6 h ALA 72 Cb 0.54 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1ek6 h ALA 72 CO -0.02 0.33 0.33 -0.07 0.00 0.00 0.00 179.25 179.81 1ek6 h LEU 73 N 0.98 0.91 -0.77 0.00 3.38 -0.94 0.45 115.31 119.32 1ek6 h LEU 73 Ca 0.29 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ek6 h LEU 73 Cb -0.06 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1ek6 h LEU 73 CO -0.08 0.80 0.50 -0.61 0.09 0.00 0.00 178.44 179.13 1ek6 h GLN 74 N 0.97 1.02 -0.32 1.13 4.15 -0.50 -0.63 115.11 120.93 1ek6 h GLN 74 Ca 0.24 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1ek6 h GLN 74 Cb 0.13 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 1ek6 h GLN 74 CO -0.03 0.69 0.20 0.00 -1.93 0.00 0.00 178.83 177.77 1ek6 h ARG 75 N 1.05 0.43 -0.53 1.69 3.08 -0.93 -0.54 114.38 118.63 1ek6 h ARG 75 Ca 0.28 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.31 1ek6 h ARG 75 Cb -0.10 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 1ek6 h ARG 75 CO -0.06 0.31 0.35 1.25 -1.07 0.00 0.00 179.97 180.75 1ek6 h LEU 76 N 0.43 0.60 -1.37 3.04 5.85 -0.40 -0.85 115.31 122.60 1ek6 h LEU 76 Ca 0.12 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1ek6 h LEU 76 Cb -0.02 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1ek6 h LEU 76 CO -0.02 0.43 -0.20 -0.26 -0.34 0.00 0.00 178.44 178.04 1ek6 h PHE 77 N 0.71 0.00 0.04 1.25 -1.00 -0.85 -1.22 116.94 115.87 1ek6 h PHE 77 Ca 0.20 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.75 1ek6 h PHE 77 Cb -0.07 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.49 1ek6 h PHE 77 CO -0.04 0.20 -1.01 0.87 -1.61 0.00 0.00 178.31 176.73 1ek6 h LYS 78 N 0.00 0.26 -0.00 1.51 1.79 -0.50 -3.33 116.57 116.30 1ek6 h LYS 78 Ca -0.00 -0.33 -0.24 0.00 -2.18 0.00 0.00 60.65 57.89 1ek6 h LYS 78 Cb 0.62 0.11 0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1ek6 h LYS 78 CO 0.03 1.07 -0.98 -0.22 -1.08 0.00 0.00 179.45 178.26 1ek6 h LYS 79 N 0.12 0.55 -6.55 3.15 3.64 -0.82 -3.46 116.57 113.20 1ek6 h LYS 79 Ca -0.08 -0.59 -0.65 0.00 -1.27 0.00 0.00 60.65 58.06 1ek6 h LYS 79 Cb 1.68 0.17 -0.18 0.00 -0.41 0.00 0.00 32.23 33.48 1ek6 h LYS 79 CO 0.16 1.21 -0.81 0.71 -2.27 0.00 0.00 179.45 178.45 1ek6 s TYR 80 N -3.30 2.31 -0.64 1.91 2.02 -0.49 -5.08 117.35 114.06 1ek6 s TYR 80 Ca -0.08 -0.35 -0.10 0.00 -0.37 0.00 0.00 57.07 56.17 1ek6 s TYR 80 Cb 0.08 -1.12 0.17 0.00 -0.40 0.00 0.00 41.96 40.69 1ek6 s TYR 80 CO 0.89 0.53 0.53 -1.12 -1.57 0.00 0.00 175.55 174.82 1ek6 s SER 81 N -2.80 5.99 0.24 2.29 0.01 -1.26 -4.63 113.70 113.54 1ek6 s SER 81 Ca 0.22 -2.44 -0.25 0.00 1.31 0.00 0.00 55.95 54.80 1ek6 s SER 81 Cb -0.07 -2.06 -0.09 0.00 0.21 0.00 0.00 66.02 64.01 1ek6 s SER 81 CO 0.11 -0.58 0.84 -0.36 0.41 0.00 0.00 173.24 173.66 1ek6 s PHE 82 N 0.57 3.78 -0.14 2.43 0.40 -1.26 -1.76 117.98 122.00 1ek6 s PHE 82 Ca 0.13 1.66 0.19 0.00 -0.60 0.00 0.00 56.93 58.31 1ek6 s PHE 82 Cb -0.19 -2.81 -0.28 0.00 0.51 0.00 0.00 43.02 40.25 1ek6 s PHE 82 CO -0.04 0.36 0.21 0.00 0.70 0.00 0.00 175.22 176.45 1ek6 n MET 83 N 1.00 0.68 -3.67 0.44 0.00 0.12 -4.22 117.12 111.47 1ek6 n MET 83 Ca -0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 57.70 57.52 1ek6 n MET 83 Cb 0.50 -1.52 -0.02 0.00 0.00 0.00 0.00 33.22 32.17 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 -2.84 -1.36 -0.05 3.17 0.00 -1.22 -4.53 121.76 114.93 1ek6 s ALA 84 Ca -0.09 0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.91 1ek6 s ALA 84 Cb 0.09 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.09 1ek6 s ALA 84 CO 0.86 -0.92 -0.11 0.08 0.00 0.00 0.00 175.76 175.67 1ek6 s VAL 85 N -3.85 0.99 -0.26 0.00 1.01 -0.51 -1.22 120.40 116.56 1ek6 s VAL 85 Ca 0.07 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1ek6 s VAL 85 Cb -0.04 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.45 1ek6 s VAL 85 CO -0.02 0.32 -0.01 -0.63 0.00 0.00 0.00 175.10 174.76 1ek6 s ILE 86 N 0.56 3.31 -0.62 2.22 1.01 0.71 -0.54 121.20 127.85 1ek6 s ILE 86 Ca -0.11 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 59.57 1ek6 s ILE 86 Cb -0.14 -2.68 0.16 0.00 0.01 0.00 0.00 42.46 39.81 1ek6 s ILE 86 CO 0.02 0.17 0.51 -2.28 0.00 0.00 0.00 174.94 173.37 1ek6 s HIS 87 N 1.40 3.50 -0.09 3.97 2.46 0.29 -1.70 115.29 125.12 1ek6 s HIS 87 Ca 0.01 -1.99 0.21 0.00 0.47 0.00 0.00 55.06 53.76 1ek6 s HIS 87 Cb -0.17 -3.58 -0.31 0.00 -0.13 0.00 0.00 32.58 28.39 1ek6 s HIS 87 CO -0.02 -0.97 0.34 1.19 -2.47 0.00 0.00 174.74 172.82 1ek6 n PHE 88 N 4.40 0.01 -1.66 3.88 3.72 -1.05 -2.60 117.46 124.16 1ek6 n PHE 88 Ca 0.01 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.95 1ek6 n PHE 88 Cb 0.42 -0.68 -0.03 0.00 -0.94 0.00 0.00 39.48 38.25 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 0.85 0.00 4.37 0.00 -1.13 -4.82 120.51 117.34 1ek6 n ALA 89 Ca -0.14 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1ek6 n ALA 89 Cb 0.77 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 2.43 -0.32 3.88 0.00 0.00 -1.26 -4.93 105.19 104.98 1ek6 n GLY 90 Ca 0.13 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 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 4.37 -0.01 0.99 1.43 -1.26 -5.02 118.68 119.18 1ek6 s LEU 91 Ca 0.00 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 1ek6 s LEU 91 Cb 0.00 -2.69 0.02 0.00 0.03 0.00 0.00 46.19 43.55 1ek6 s LEU 91 CO 0.00 0.25 0.74 2.29 0.23 0.00 0.00 176.35 179.86 1ek6 n LYS 92 N 1.14 0.57 -3.10 1.70 2.85 -1.26 -4.98 118.16 115.09 1ek6 n LYS 92 Ca -0.11 -0.92 -0.41 0.00 -1.05 0.00 0.00 58.31 55.81 1ek6 n LYS 92 Cb 0.53 -0.65 -0.06 0.00 -0.65 0.00 0.00 35.03 34.19 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 -0.36 3.55 0.11 0.58 0.00 -1.26 -4.97 121.76 119.41 1ek6 s ALA 93 Ca 0.02 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.12 1ek6 s ALA 93 Cb 0.02 -3.10 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 1ek6 s ALA 93 CO 0.00 -1.02 1.62 0.28 0.00 0.00 0.00 175.76 176.64 1ek6 h VAL 94 N 5.52 0.32 -0.76 0.00 2.07 -1.96 -1.66 116.25 119.78 1ek6 h VAL 94 Ca -0.26 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1ek6 h VAL 94 Cb 1.12 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1ek6 h VAL 94 CO 0.80 0.00 0.33 1.23 0.02 0.00 0.00 177.57 179.95 1ek6 h GLY 95 N -0.56 1.20 1.03 2.17 0.00 -1.94 -2.57 103.07 102.41 1ek6 h GLY 95 Ca 0.02 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 1ek6 h GLY 95 CO -0.17 0.60 0.32 -2.09 0.00 0.00 0.00 176.54 175.21 1ek6 h GLU 96 N 1.09 1.14 -0.83 4.80 4.81 -1.89 -2.64 114.58 121.06 1ek6 h GLU 96 Ca 0.26 -0.20 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 1ek6 h GLU 96 Cb 0.18 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 1ek6 h GLU 96 CO -0.03 0.91 0.54 0.66 -0.73 0.00 0.00 179.01 180.37 1ek6 h SER 97 N 1.10 0.74 -0.79 1.04 4.64 -0.90 0.30 113.55 119.68 1ek6 h SER 97 Ca 0.26 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1ek6 h SER 97 Cb 0.19 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 1ek6 h SER 97 CO -0.02 0.45 0.49 0.58 -0.87 0.00 0.00 176.83 177.46 1ek6 h VAL 98 N 0.83 1.22 0.00 0.95 2.07 -1.25 -2.30 116.25 117.77 1ek6 h VAL 98 Ca 0.37 -0.47 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 1ek6 h VAL 98 Cb 0.36 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1ek6 h VAL 98 CO -0.14 0.23 -1.25 1.56 0.02 0.00 0.00 177.57 177.98 1ek6 h GLN 99 N 1.10 0.00 -1.89 1.57 1.08 -0.98 -3.40 115.11 112.59 1ek6 h GLN 99 Ca 0.29 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.96 1ek6 h GLN 99 Cb -0.06 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 26.96 1ek6 h GLN 99 CO -0.06 0.32 -0.87 1.63 -0.95 0.00 0.00 178.83 178.90 1ek6 n LYS 100 N -2.94 2.43 -0.27 1.46 5.02 0.86 -4.95 118.16 119.78 1ek6 n LYS 100 Ca -0.07 -4.21 0.07 0.00 -2.02 0.00 0.00 58.31 52.09 1ek6 n LYS 100 Cb 0.81 -1.98 0.22 0.00 -0.02 0.00 0.00 35.03 34.06 1ek6 n LYS 100 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1ek6 h PRO 101 N 2.90 0.39 -0.66 1.97 0.13 -1.64 -2.04 132.00 133.05 1ek6 h PRO 101 Ca 0.13 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ek6 h PRO 101 Cb 0.80 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.80 1ek6 h PRO 101 CO 0.70 0.26 0.42 -0.07 -0.23 0.00 0.00 178.00 179.08 1ek6 h LEU 102 N 0.40 0.77 -0.84 1.56 3.38 -1.92 0.47 115.31 119.13 1ek6 h LEU 102 Ca 0.45 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.35 1ek6 h LEU 102 Cb 0.75 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1ek6 h LEU 102 CO -0.46 0.58 0.28 0.44 0.09 0.00 0.00 178.44 179.37 1ek6 h ASP 103 N 0.90 1.05 -0.16 -0.43 3.45 -1.78 0.92 116.42 120.38 1ek6 h ASP 103 Ca 0.24 -0.17 -0.04 0.00 0.43 0.00 0.00 57.03 57.50 1ek6 h ASP 103 Cb -0.07 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 38.42 1ek6 h ASP 103 CO -0.05 0.94 -0.04 1.88 -1.57 0.00 0.00 179.24 180.41 1ek6 h TYR 104 N 1.10 0.35 -0.72 4.55 -1.99 -1.20 -1.04 116.97 118.02 1ek6 h TYR 104 Ca 0.25 -0.08 -0.05 0.00 2.00 0.00 0.00 58.73 60.86 1ek6 h TYR 104 Cb 0.24 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 38.85 1ek6 h TYR 104 CO 0.02 0.59 0.26 1.88 -0.00 0.00 0.00 178.16 180.91 1ek6 h TYR 105 N 0.01 1.10 0.58 4.88 0.99 -0.79 0.46 116.97 124.20 1ek6 h TYR 105 Ca 0.04 -0.09 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 1ek6 h TYR 105 Cb 0.47 -0.33 0.01 0.00 1.00 0.00 0.00 36.73 37.88 1ek6 h TYR 105 CO 0.05 0.85 -0.28 -0.09 -0.00 0.00 0.00 178.16 178.69 1ek6 h ARG 106 N 1.05 -0.75 -0.38 4.88 2.43 -0.74 0.59 114.38 121.45 1ek6 h ARG 106 Ca 0.24 0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1ek6 h ARG 106 Cb 0.23 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1ek6 h ARG 106 CO -0.02 -0.50 0.04 0.28 -1.51 0.00 0.00 179.97 178.26 1ek6 h VAL 107 N -0.82 1.25 0.02 0.20 2.07 -1.19 -1.74 116.25 116.03 1ek6 h VAL 107 Ca -0.08 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1ek6 h VAL 107 Cb 0.60 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1ek6 h VAL 107 CO 0.13 0.31 -0.14 0.78 0.02 0.00 0.00 177.57 178.67 1ek6 h ASN 108 N 0.49 0.10 0.04 0.57 2.35 -1.00 -2.89 115.58 115.23 1ek6 h ASN 108 Ca 0.11 -0.90 -0.00 0.00 -0.55 0.00 0.00 56.30 54.97 1ek6 h ASN 108 Cb 0.40 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1ek6 h ASN 108 CO 0.01 0.98 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.69 1ek6 h LEU 109 N -0.77 -0.04 -0.90 1.61 3.38 -0.98 -2.80 115.31 114.80 1ek6 h LEU 109 Ca -0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ek6 h LEU 109 Cb 1.02 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 1ek6 h LEU 109 CO 0.03 0.39 0.59 0.71 0.09 0.00 0.00 178.44 180.25 1ek6 h THR 110 N -0.89 1.20 -0.79 0.22 1.35 -0.76 -0.22 112.91 113.02 1ek6 h THR 110 Ca -0.01 -0.41 -0.03 0.00 -0.55 0.00 0.00 66.41 65.41 1ek6 h THR 110 Cb 0.04 -0.09 -0.04 0.00 -1.73 0.00 0.00 68.15 66.33 1ek6 h THR 110 CO 0.01 0.22 0.36 1.23 -0.25 0.00 0.00 175.52 177.08 1ek6 h GLY 111 N 1.19 1.23 1.11 5.82 0.00 -1.11 -1.43 103.07 109.88 1ek6 h GLY 111 Ca 0.34 -0.63 -0.15 0.00 0.00 0.00 0.00 47.33 46.89 1ek6 h GLY 111 CO -0.09 0.60 -0.35 -0.84 0.00 0.00 0.00 176.54 175.86 1ek6 h THR 112 N 1.12 1.27 -0.27 4.70 2.02 -1.15 -2.27 112.91 118.32 1ek6 h THR 112 Ca 0.27 -1.52 0.04 0.00 0.77 0.00 0.00 66.41 65.96 1ek6 h THR 112 Cb 0.15 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1ek6 h THR 112 CO -0.03 0.51 0.06 0.40 0.37 0.00 0.00 175.52 176.83 1ek6 h ILE 113 N 0.76 0.89 -0.54 3.11 2.04 -0.85 0.17 117.51 123.08 1ek6 h ILE 113 Ca 0.07 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.93 1ek6 h ILE 113 Cb 0.94 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 1ek6 h ILE 113 CO 0.09 0.03 0.25 -0.61 0.00 0.00 0.00 178.15 177.91 1ek6 h GLN 114 N 0.17 0.47 -0.25 2.37 5.75 -1.22 0.63 115.11 123.03 1ek6 h GLN 114 Ca 0.12 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1ek6 h GLN 114 Cb 0.12 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1ek6 h GLN 114 CO -0.15 0.31 0.14 1.25 -2.65 0.00 0.00 178.83 177.72 1ek6 h LEU 115 N 0.48 0.31 -0.98 -2.39 5.85 -0.76 -1.98 115.31 115.84 1ek6 h LEU 115 Ca 0.25 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1ek6 h LEU 115 Cb 0.20 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1ek6 h LEU 115 CO -0.20 0.30 0.65 -0.07 -0.34 0.00 0.00 178.44 178.78 1ek6 h LEU 116 N 0.29 1.10 -0.68 2.25 3.38 -0.20 -0.13 115.31 121.32 1ek6 h LEU 116 Ca 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ek6 h LEU 116 Cb 0.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1ek6 h LEU 116 CO -0.01 0.78 0.40 -0.33 0.09 0.00 0.00 178.44 179.37 1ek6 h GLU 117 N 1.30 0.93 -0.40 1.13 5.08 -0.52 0.20 114.58 122.30 1ek6 h GLU 117 Ca 0.37 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1ek6 h GLU 117 Cb -0.10 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 1ek6 h GLU 117 CO -0.09 0.67 0.08 0.82 -1.00 0.00 0.00 179.01 179.49 1ek6 h ILE 118 N 0.93 1.23 0.16 3.13 1.08 -0.97 -0.50 117.51 122.57 1ek6 h ILE 118 Ca 0.24 -0.82 -0.00 0.00 -0.39 0.00 0.00 64.86 63.89 1ek6 h ILE 118 Cb -0.01 1.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.74 1ek6 h ILE 118 CO -0.04 0.28 -0.11 0.24 -0.69 0.00 0.00 178.15 177.84 1ek6 h MET 119 N 0.51 -0.25 -0.28 2.37 2.86 -0.67 -0.44 114.93 119.03 1ek6 h MET 119 Ca 0.12 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.84 1ek6 h MET 119 Cb 0.34 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 1ek6 h MET 119 CO 0.00 -0.17 -0.05 -0.22 1.06 0.00 0.00 176.91 177.53 1ek6 h LYS 120 N -0.26 0.02 -0.98 1.72 3.64 -0.51 -0.18 116.57 120.02 1ek6 h LYS 120 Ca -0.01 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1ek6 h LYS 120 Cb 0.23 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.97 1ek6 h LYS 120 CO 0.01 0.01 0.63 0.00 -2.27 0.00 0.00 179.45 177.83 1ek6 h ALA 121 N 1.27 1.45 -0.01 5.00 0.00 -0.75 -1.52 119.26 124.70 1ek6 h ALA 121 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ek6 h ALA 121 Cb 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ek6 h ALA 121 CO -0.27 0.40 -0.01 0.72 0.00 0.00 0.00 179.25 180.08 1ek6 n HIS 122 N -4.51 0.00 -1.57 0.00 8.25 -0.20 -4.93 115.22 112.26 1ek6 n HIS 122 Ca 0.15 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.53 1ek6 n HIS 122 Cb 0.20 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 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 1.15 0.67 3.28 -1.41 0.00 -0.30 -4.96 105.19 103.62 1ek6 n GLY 123 Ca 0.20 -0.62 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.35 5.29 -0.58 1.61 1.01 -0.23 -4.90 120.40 120.24 1ek6 s VAL 124 Ca 0.00 -2.69 0.01 0.00 0.00 0.00 0.00 61.98 59.30 1ek6 s VAL 124 Cb 0.00 -4.28 0.44 0.00 0.00 0.00 0.00 36.38 32.54 1ek6 s VAL 124 CO 0.00 -1.02 1.79 0.29 0.00 0.00 0.00 175.10 176.16 1ek6 n LYS 125 N 3.72 2.96 -3.93 2.72 5.02 -1.26 -4.40 118.16 122.99 1ek6 n LYS 125 Ca 0.14 -3.57 -0.29 0.00 -2.02 0.00 0.00 58.31 52.57 1ek6 n LYS 125 Cb 0.44 -2.28 -0.16 0.00 -0.02 0.00 0.00 35.03 33.01 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 -2.28 3.22 0.03 4.39 0.01 -1.25 -0.89 114.94 118.17 1ek6 s ASN 126 Ca 0.60 -0.84 0.04 0.00 -0.71 0.00 0.00 52.86 51.95 1ek6 s ASN 126 Cb 0.48 -1.07 -0.02 0.00 0.41 0.00 0.00 41.25 41.05 1ek6 s ASN 126 CO -0.04 -0.18 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.03 1ek6 s LEU 127 N 1.51 2.15 -0.17 0.60 2.96 -0.58 -1.43 118.68 123.72 1ek6 s LEU 127 Ca -0.01 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1ek6 s LEU 127 Cb -0.16 -0.50 0.02 0.00 0.50 0.00 0.00 46.19 46.05 1ek6 s LEU 127 CO -0.08 0.01 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.09 1ek6 s VAL 128 N -0.79 1.93 -0.06 1.68 1.01 0.30 -0.56 120.40 123.91 1ek6 s VAL 128 Ca 0.00 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1ek6 s VAL 128 Cb -0.07 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1ek6 s VAL 128 CO 0.01 0.50 -0.13 0.12 0.00 0.00 0.00 175.10 175.59 1ek6 s PHE 129 N 1.34 2.74 -0.90 5.22 5.99 -0.35 -0.55 117.98 131.47 1ek6 s PHE 129 Ca 0.05 -0.20 -0.25 0.00 0.00 0.00 0.00 56.93 56.53 1ek6 s PHE 129 Cb -0.13 -1.66 0.03 0.00 0.00 0.00 0.00 43.02 41.25 1ek6 s PHE 129 CO -0.12 0.15 1.48 -1.12 -0.00 0.00 0.00 175.22 175.61 1ek6 s SER 130 N -0.61 6.18 0.08 6.13 0.01 -1.07 -1.22 113.70 123.20 1ek6 s SER 130 Ca 0.09 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1ek6 s SER 130 Cb -0.11 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1ek6 s SER 130 CO 0.01 -1.79 0.00 -0.24 0.41 0.00 0.00 173.24 171.63 1ek6 n SER 131 N 9.81 0.00 -3.49 2.44 2.88 0.12 -4.96 113.62 120.42 1ek6 n SER 131 Ca 0.24 -0.29 -0.14 0.00 -1.33 0.00 0.00 58.87 57.35 1ek6 n SER 131 Cb 0.50 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.92 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 -0.56 0.40 -3.46 0.15 -1.26 -3.03 113.70 104.94 1ek6 s SER 132 Ca 0.00 0.25 0.28 0.00 0.70 0.00 0.00 55.95 57.19 1ek6 s SER 132 Cb 0.00 0.56 1.39 0.00 -1.71 0.00 0.00 66.02 66.25 1ek6 s SER 132 CO 0.00 -0.80 1.86 0.00 1.20 0.00 0.00 173.24 175.50 1ek6 h ALA 133 N 2.48 1.00 0.00 5.45 0.00 -1.46 -2.24 119.26 124.48 1ek6 h ALA 133 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ek6 h ALA 133 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ek6 h ALA 133 CO 0.39 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1ek6 h THR 134 N 0.00 0.00 0.00 0.00 1.03 -1.93 -2.53 112.91 109.49 1ek6 h THR 134 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 1ek6 h THR 134 Cb 0.18 1.12 0.00 0.00 -1.07 0.00 0.00 68.15 68.38 1ek6 h THR 134 CO 0.00 0.00 0.00 -0.37 -0.01 0.00 0.00 175.52 175.14 1ek6 h VAL 135 N 0.00 0.00 0.00 0.00 -1.51 -1.65 -2.15 116.25 110.94 1ek6 h VAL 135 Ca 0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1ek6 h VAL 135 Cb 0.31 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 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 -2.76 0.22 -4.79 5.19 0.53 -0.95 -0.63 117.16 113.96 1ek6 n TYR 136 Ca 0.00 0.07 0.00 0.00 -1.02 0.00 0.00 57.90 56.95 1ek6 n TYR 136 Cb 0.20 -0.61 0.00 0.00 -1.03 0.00 0.00 39.34 37.90 1ek6 n TYR 136 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1ek6 n GLY 137 N 0.99 1.46 3.64 2.72 0.00 -0.81 -4.48 105.19 108.71 1ek6 n GLY 137 Ca 0.06 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1ek6 n GLY 137 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ek6 s ASN 138 N -4.00 6.80 0.23 1.61 3.04 -1.26 -4.90 114.94 116.45 1ek6 s ASN 138 Ca 0.00 1.45 -0.31 0.00 0.04 0.00 0.00 52.86 54.03 1ek6 s ASN 138 Cb 0.00 -2.54 -0.14 0.00 -1.54 0.00 0.00 41.25 37.03 1ek6 s ASN 138 CO 0.00 -0.93 1.34 -2.65 -3.04 0.00 0.00 177.10 171.82 1ek6 n PRO 139 N 6.98 1.81 0.03 0.43 -0.02 -1.26 -4.87 135.00 138.11 1ek6 n PRO 139 Ca 0.14 0.65 0.11 0.00 -2.02 0.00 0.00 63.50 62.38 1ek6 n PRO 139 Cb 0.46 -2.26 -0.09 0.00 -0.02 0.00 0.00 33.50 31.59 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 1.91 0.60 -3.50 -0.52 6.02 -1.26 -4.96 117.38 115.67 1ek6 n GLN 140 Ca 0.12 -0.07 -0.12 0.00 -0.01 0.00 0.00 57.00 56.92 1ek6 n GLN 140 Cb 0.30 -1.63 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 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 -3.43 -0.45 -0.04 1.08 1.13 -1.26 -5.18 117.35 109.19 1ek6 s TYR 141 Ca -0.04 0.30 -0.04 0.00 -1.41 0.00 0.00 57.07 55.88 1ek6 s TYR 141 Cb 0.12 0.45 0.01 0.00 -1.10 0.00 0.00 41.96 41.45 1ek6 s TYR 141 CO 0.86 -0.77 0.11 -0.51 -2.51 0.00 0.00 175.55 172.74 1ek6 s LEU 142 N -2.54 1.49 0.82 -3.49 1.43 -1.26 -4.24 118.68 110.89 1ek6 s LEU 142 Ca -0.00 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.22 1ek6 s LEU 142 Cb -0.00 0.38 0.08 0.00 0.03 0.00 0.00 46.19 46.68 1ek6 s LEU 142 CO -0.09 -0.05 1.10 -2.16 0.23 0.00 0.00 176.35 175.37 1ek6 s PRO 143 N 0.18 1.87 -0.21 1.29 0.04 -1.26 -5.12 135.00 131.78 1ek6 s PRO 143 Ca -0.01 1.16 -0.26 0.00 0.04 0.00 0.00 61.00 61.93 1ek6 s PRO 143 Cb -0.02 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 1ek6 s PRO 143 CO -0.00 -1.91 0.88 -0.51 0.04 0.00 0.00 177.00 175.49 1ek6 s LEU 144 N -6.09 4.12 0.47 -3.56 1.43 -0.09 -4.72 118.68 110.24 1ek6 s LEU 144 Ca 0.62 1.17 0.07 0.00 -1.03 0.00 0.00 54.13 54.96 1ek6 s LEU 144 Cb -0.18 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1ek6 s LEU 144 CO 0.57 -0.50 0.41 1.51 0.23 0.00 0.00 176.35 178.57 1ek6 s ASP 145 N 1.24 4.89 0.62 2.29 1.47 -1.26 -1.21 116.67 124.71 1ek6 s ASP 145 Ca 0.38 -0.92 0.40 0.00 1.18 0.00 0.00 52.55 53.59 1ek6 s ASP 145 Cb -0.16 -0.19 1.97 0.00 -0.34 0.00 0.00 42.92 44.20 1ek6 s ASP 145 CO 0.09 -0.84 2.21 -0.33 0.68 0.00 0.00 175.17 176.98 1ek6 h GLU 146 N 0.89 0.00 0.00 2.11 3.07 -1.94 -2.09 114.58 116.63 1ek6 h GLU 146 Ca -0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 1ek6 h GLU 146 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1ek6 h GLU 146 CO 0.56 0.01 0.00 0.00 -1.40 0.00 0.00 179.01 178.18 1ek6 n ALA 147 N -2.10 2.37 -1.77 3.43 0.00 -1.26 -4.85 120.51 116.33 1ek6 n ALA 147 Ca -0.02 -0.11 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 1ek6 n ALA 147 Cb 0.17 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 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 -2.90 2.84 0.56 0.00 5.04 -0.79 -4.94 115.29 115.10 1ek6 s HIS 148 Ca 0.17 1.52 -0.21 0.00 -1.54 0.00 0.00 55.06 55.00 1ek6 s HIS 148 Cb 0.19 -3.43 -0.05 0.00 0.04 0.00 0.00 32.58 29.34 1ek6 s HIS 148 CO 0.51 -1.63 1.31 -2.30 -2.34 0.00 0.00 174.74 170.29 1ek6 n PRO 149 N -0.46 1.54 -4.40 2.88 -0.02 -1.26 -5.00 135.00 128.27 1ek6 n PRO 149 Ca 0.07 0.57 -0.28 0.00 -2.02 0.00 0.00 63.50 61.84 1ek6 n PRO 149 Cb 0.47 -2.52 -0.12 0.00 -0.02 0.00 0.00 33.50 31.31 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 -1.32 2.35 0.00 3.45 -4.23 -1.26 -4.52 115.64 110.11 1ek6 s THR 150 Ca 0.73 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 1ek6 s THR 150 Cb -0.42 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1ek6 s THR 150 CO 0.48 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.13 1ek6 n GLY 151 N 0.51 -2.95 2.77 3.99 0.00 0.20 -4.98 105.19 104.73 1ek6 n GLY 151 Ca -0.15 -2.12 -0.21 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.06 -0.48 3.70 -0.02 0.00 -1.26 -4.19 105.19 102.87 1ek6 n GLY 152 Ca 0.00 0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.01 0.00 -3.49 0.00 -2.24 -1.26 -4.91 114.28 100.37 1ek6 n THR 154 Ca 0.15 -0.15 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1ek6 n THR 154 Cb 0.48 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 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 -2.24 -0.50 0.38 3.42 2.20 -1.26 -4.35 114.94 112.59 1ek6 s ASN 155 Ca 0.33 0.02 0.07 0.00 -0.94 0.00 0.00 52.86 52.35 1ek6 s ASN 155 Cb 0.20 0.56 0.80 0.00 -2.00 0.00 0.00 41.25 40.82 1ek6 s ASN 155 CO 0.42 -0.89 1.97 -0.65 -2.94 0.00 0.00 177.10 175.01 1ek6 h PRO 156 N 2.24 0.65 -0.12 3.55 0.11 -1.87 -1.52 132.00 135.04 1ek6 h PRO 156 Ca -0.33 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 1ek6 h PRO 156 Cb 1.27 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1ek6 h PRO 156 CO 0.40 0.43 0.05 -0.92 -0.21 0.00 0.00 178.00 177.75 1ek6 h TYR 157 N 0.67 0.18 -0.76 0.65 5.03 -1.85 0.87 116.97 121.76 1ek6 h TYR 157 Ca 0.29 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.61 1ek6 h TYR 157 Cb 0.29 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.48 1ek6 h TYR 157 CO -0.00 0.28 0.50 0.78 -1.32 0.00 0.00 178.16 178.39 1ek6 h GLY 158 N 0.04 1.08 0.98 1.82 0.00 -1.76 -0.76 103.07 104.48 1ek6 h GLY 158 Ca 0.04 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 46.99 1ek6 h GLY 158 CO -0.00 0.36 0.34 0.50 0.00 0.00 0.00 176.54 177.73 1ek6 h LYS 159 N 0.99 0.67 -0.97 4.80 1.57 -1.03 0.00 116.57 122.61 1ek6 h LYS 159 Ca 0.29 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.10 1ek6 h LYS 159 Cb -0.06 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.03 1ek6 h LYS 159 CO -0.08 0.44 0.63 0.66 -0.57 0.00 0.00 179.45 180.53 1ek6 h SER 160 N 0.69 0.97 -0.26 0.86 4.64 0.30 0.27 113.55 121.03 1ek6 h SER 160 Ca 0.19 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1ek6 h SER 160 Cb -0.06 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.83 1ek6 h SER 160 CO -0.05 0.61 -0.24 0.11 -0.87 0.00 0.00 176.83 176.39 1ek6 h LYS 161 N 1.10 0.62 -0.48 4.77 1.79 -0.44 -2.16 116.57 121.76 1ek6 h LYS 161 Ca 0.43 -0.32 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1ek6 h LYS 161 Cb 0.23 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1ek6 h LYS 161 CO -0.17 0.92 0.23 0.35 -1.08 0.00 0.00 179.45 179.69 1ek6 h PHE 162 N 0.34 0.70 -0.88 -1.35 3.57 -0.50 -1.55 116.94 117.27 1ek6 h PHE 162 Ca 0.04 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1ek6 h PHE 162 Cb 0.80 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 1ek6 h PHE 162 CO 0.07 0.56 0.59 0.74 -2.23 0.00 0.00 178.31 178.04 1ek6 h PHE 163 N 0.64 1.11 -0.50 0.41 0.04 -0.45 -0.59 116.94 117.60 1ek6 h PHE 163 Ca 0.17 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 1ek6 h PHE 163 Cb 0.13 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 37.88 1ek6 h PHE 163 CO -0.01 0.69 0.28 0.82 -0.60 0.00 0.00 178.31 179.50 1ek6 h ILE 164 N 1.19 1.17 -0.55 -0.55 2.04 -1.11 -0.83 117.51 118.86 1ek6 h ILE 164 Ca 0.33 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1ek6 h ILE 164 Cb -0.13 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 1ek6 h ILE 164 CO -0.07 0.17 0.27 -0.33 0.00 0.00 0.00 178.15 178.19 1ek6 h GLU 165 N 0.66 0.51 -0.60 2.37 5.08 -0.39 -0.41 114.58 121.80 1ek6 h GLU 165 Ca 0.18 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1ek6 h GLU 165 Cb 0.03 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1ek6 h GLU 165 CO -0.03 0.34 0.30 0.93 -1.00 0.00 0.00 179.01 179.55 1ek6 h GLU 166 N 0.52 0.86 -0.45 2.33 4.39 -0.79 -0.05 114.58 121.40 1ek6 h GLU 166 Ca 0.25 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.84 1ek6 h GLU 166 Cb 0.18 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1ek6 h GLU 166 CO -0.18 0.68 0.29 0.52 -1.16 0.00 0.00 179.01 179.16 1ek6 h MET 167 N 0.82 0.57 -0.55 2.33 2.86 -0.52 -1.42 114.93 119.02 1ek6 h MET 167 Ca 0.21 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1ek6 h MET 167 Cb 0.10 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1ek6 h MET 167 CO -0.03 0.38 0.36 0.82 1.06 0.00 0.00 176.91 179.50 1ek6 h ILE 168 N 0.59 1.15 -0.85 -1.22 2.04 -0.81 0.12 117.51 118.53 1ek6 h ILE 168 Ca 0.17 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1ek6 h ILE 168 Cb -0.05 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.31 1ek6 h ILE 168 CO -0.04 0.14 0.54 0.03 0.00 0.00 0.00 178.15 178.82 1ek6 h ARG 169 N 0.75 1.01 -0.43 2.37 3.08 -0.61 0.16 114.38 120.70 1ek6 h ARG 169 Ca 0.20 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1ek6 h ARG 169 Cb -0.08 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.73 1ek6 h ARG 169 CO -0.04 0.67 0.07 -0.44 -1.07 0.00 0.00 179.97 179.15 1ek6 h ASP 170 N 1.04 0.69 -0.45 7.04 3.45 -0.67 0.16 116.42 127.68 1ek6 h ASP 170 Ca 0.34 -0.26 -0.01 0.00 0.43 0.00 0.00 57.03 57.53 1ek6 h ASP 170 Cb 0.04 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.61 1ek6 h ASP 170 CO -0.13 0.78 0.25 0.25 -1.57 0.00 0.00 179.24 178.82 1ek6 h LEU 171 N 0.57 0.56 -1.30 1.55 5.85 -0.29 0.39 115.31 122.64 1ek6 h LEU 171 Ca 0.13 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1ek6 h LEU 171 Cb 0.38 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1ek6 h LEU 171 CO 0.01 0.48 -0.09 0.00 -0.34 0.00 0.00 178.44 178.50 1ek6 h GLN 173 N 0.35 0.75 -0.25 0.00 1.08 -0.53 -3.15 115.11 113.37 1ek6 h GLN 173 Ca 0.07 -0.40 -0.08 0.00 -1.45 0.00 0.00 58.65 56.79 1ek6 h GLN 173 Cb 0.38 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1ek6 h GLN 173 CO 0.02 1.02 -0.20 0.00 -0.95 0.00 0.00 178.83 178.72 1ek6 h ALA 174 N 0.72 1.19 -3.00 3.87 0.00 -0.52 -3.39 119.26 118.13 1ek6 h ALA 174 Ca 0.05 -0.31 -0.54 0.00 0.00 0.00 0.00 54.91 54.11 1ek6 h ALA 174 Cb 0.89 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 18.15 1ek6 h ALA 174 CO 0.08 0.52 -0.77 0.34 0.00 0.00 0.00 179.25 179.42 1ek6 s ASP 175 N -6.81 3.53 0.14 0.00 3.68 -0.49 -5.00 116.67 111.73 1ek6 s ASP 175 Ca -0.07 -1.29 0.11 0.00 2.13 0.00 0.00 52.55 53.43 1ek6 s ASP 175 Cb 0.14 -0.55 0.58 0.00 -1.45 0.00 0.00 42.92 41.64 1ek6 s ASP 175 CO 0.78 -0.41 1.35 0.29 0.13 0.00 0.00 175.17 177.31 1ek6 n LYS 176 N 5.09 0.07 0.17 4.34 4.76 -1.22 -1.62 118.16 129.73 1ek6 n LYS 176 Ca -0.05 0.52 0.13 0.00 -2.87 0.00 0.00 58.31 56.04 1ek6 n LYS 176 Cb 0.43 -1.71 0.38 0.00 -1.84 0.00 0.00 35.03 32.30 1ek6 n LYS 176 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1ek6 h THR 177 N 0.00 0.00 -3.99 -0.18 1.35 -1.95 -3.45 112.91 104.69 1ek6 h THR 177 Ca 0.00 -0.60 -0.48 0.00 -0.55 0.00 0.00 66.41 64.78 1ek6 h THR 177 Cb 0.05 1.56 0.02 0.00 -1.73 0.00 0.00 68.15 68.05 1ek6 h THR 177 CO 0.00 0.00 0.41 0.26 -0.25 0.00 0.00 175.52 175.94 1ek6 s TRP 178 N -3.24 3.18 -0.05 4.73 0.52 -0.64 -4.92 118.94 118.51 1ek6 s TRP 178 Ca 0.07 1.62 0.03 0.00 0.02 0.00 0.00 56.10 57.84 1ek6 s TRP 178 Cb 0.09 -3.12 0.01 0.00 -1.15 0.00 0.00 33.47 29.30 1ek6 s TRP 178 CO 0.58 -0.72 -0.12 -0.80 0.02 0.00 0.00 176.95 175.91 1ek6 s ASN 179 N -1.67 1.73 -0.11 2.95 0.01 -0.07 -4.20 114.94 113.58 1ek6 s ASN 179 Ca 0.61 -0.29 -0.06 0.00 -0.71 0.00 0.00 52.86 52.41 1ek6 s ASN 179 Cb -0.21 -0.70 0.04 0.00 0.41 0.00 0.00 41.25 40.80 1ek6 s ASN 179 CO 0.26 0.06 0.26 0.00 -1.51 0.00 0.00 177.10 176.16 1ek6 s ALA 180 N 0.48 -0.61 -0.26 0.60 0.00 0.16 -1.53 121.76 120.61 1ek6 s ALA 180 Ca -0.11 0.99 -0.03 0.00 0.00 0.00 0.00 51.96 52.81 1ek6 s ALA 180 Cb -0.14 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.38 1ek6 s ALA 180 CO 0.03 -0.19 -0.02 0.08 0.00 0.00 0.00 175.76 175.66 1ek6 s VAL 181 N 1.07 3.22 -0.42 0.00 1.01 0.28 -1.05 120.40 124.50 1ek6 s VAL 181 Ca -0.08 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 1ek6 s VAL 181 Cb -0.09 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.67 1ek6 s VAL 181 CO -0.07 0.16 0.49 -0.76 0.00 0.00 0.00 175.10 174.92 1ek6 s LEU 182 N 1.38 4.76 -0.36 3.92 1.43 0.89 -1.21 118.68 129.50 1ek6 s LEU 182 Ca 0.01 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 1ek6 s LEU 182 Cb -0.17 -2.48 -0.00 0.00 0.03 0.00 0.00 46.19 43.57 1ek6 s LEU 182 CO -0.02 -0.63 0.36 -0.76 0.23 0.00 0.00 176.35 175.52 1ek6 s LEU 183 N 2.32 4.56 -0.87 1.79 1.43 -0.36 -1.67 118.68 125.89 1ek6 s LEU 183 Ca 0.15 -0.37 -0.21 0.00 -1.03 0.00 0.00 54.13 52.67 1ek6 s LEU 183 Cb -0.16 -2.31 0.10 0.00 0.03 0.00 0.00 46.19 43.84 1ek6 s LEU 183 CO 0.15 -0.38 1.14 -0.13 0.23 0.00 0.00 176.35 177.36 1ek6 s ARG 184 N 1.98 3.46 0.58 1.70 0.52 0.45 0.13 118.95 127.77 1ek6 s ARG 184 Ca 0.11 -1.39 -0.15 0.00 -0.52 0.00 0.00 55.73 53.77 1ek6 s ARG 184 Cb -0.17 -4.79 -0.04 0.00 0.52 0.00 0.00 34.95 30.47 1ek6 s ARG 184 CO 0.12 -1.86 1.04 0.71 0.02 0.00 0.00 175.30 175.33 1ek6 s TYR 185 N 3.46 3.12 0.00 -0.53 2.02 -1.17 -1.43 117.35 122.83 1ek6 s TYR 185 Ca 0.32 1.49 0.00 0.00 -0.37 0.00 0.00 57.07 58.51 1ek6 s TYR 185 Cb -0.07 -2.94 0.00 0.00 -0.40 0.00 0.00 41.96 38.55 1ek6 s TYR 185 CO -0.04 -0.94 0.00 1.19 -1.57 0.00 0.00 175.55 174.19 1ek6 n PHE 186 N -2.03 0.00 -3.78 2.71 3.72 -0.60 -1.41 117.46 116.07 1ek6 n PHE 186 Ca 0.08 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.13 1ek6 n PHE 186 Cb 0.53 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.97 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 5.01 0.40 4.37 -0.87 -0.14 -4.81 114.94 117.90 1ek6 s ASN 187 Ca 0.00 -2.95 -0.26 0.00 -1.57 0.00 0.00 52.86 48.08 1ek6 s ASN 187 Cb 0.00 -1.80 -0.09 0.00 -0.02 0.00 0.00 41.25 39.34 1ek6 s ASN 187 CO 0.00 -0.32 1.28 -2.16 -2.57 0.00 0.00 177.10 173.33 1ek6 s PRO 188 N -0.20 4.01 0.34 -0.60 0.04 -1.26 -1.38 135.00 135.96 1ek6 s PRO 188 Ca 0.17 2.12 -0.03 0.00 0.04 0.00 0.00 61.00 63.30 1ek6 s PRO 188 Cb -0.21 -2.78 0.01 0.00 0.04 0.00 0.00 34.50 31.57 1ek6 s PRO 188 CO -0.03 -0.44 0.50 -2.37 0.04 0.00 0.00 177.00 174.70 1ek6 n THR 189 N 0.18 0.00 -2.27 1.26 5.66 0.34 -4.84 114.28 114.62 1ek6 n THR 189 Ca 0.03 -1.59 0.00 0.00 -3.05 0.00 0.00 64.05 59.44 1ek6 n THR 189 Cb 0.44 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 70.24 1ek6 n THR 189 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ek6 n GLY 190 N -0.54 -1.87 3.60 1.09 0.00 -1.26 -0.29 105.19 105.93 1ek6 n GLY 190 Ca -0.00 -1.68 -0.07 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.43 -1.70 0.33 4.61 0.00 -1.26 -4.62 121.76 117.69 1ek6 s ALA 191 Ca 0.00 0.55 -0.27 0.00 0.00 0.00 0.00 51.96 52.24 1ek6 s ALA 191 Cb 0.00 0.59 -0.13 0.00 0.00 0.00 0.00 23.12 23.58 1ek6 s ALA 191 CO 0.00 -0.84 1.11 1.58 0.00 0.00 0.00 175.76 177.61 1ek6 n HIS 192 N -0.35 1.63 0.20 0.00 -0.00 -1.25 -4.77 115.22 110.68 1ek6 n HIS 192 Ca -0.09 0.62 0.18 0.00 0.46 0.00 0.00 57.72 58.89 1ek6 n HIS 192 Cb 0.62 -2.31 0.83 0.00 -0.12 0.00 0.00 29.99 29.01 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 2.11 1.81 0.00 1.57 0.00 -1.93 -1.55 119.26 121.27 1ek6 h ALA 193 Ca -0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1ek6 h ALA 193 Cb 1.32 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1ek6 h ALA 193 CO 0.61 -0.34 -0.14 0.66 0.00 0.00 0.00 179.25 180.03 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 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1ek6 h SER 194 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1ek6 h SER 194 CO -0.00 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 1ek6 n GLY 195 N -1.11 0.75 0.13 -0.77 0.00 -0.58 -4.90 105.19 98.71 1ek6 n GLY 195 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.96 1.24 0.00 0.00 -4.36 -1.26 -5.02 121.20 108.84 1ek6 s ILE 197 Ca 0.03 -1.64 0.00 0.00 -0.26 0.00 0.00 60.65 58.77 1ek6 s ILE 197 Cb 0.08 -1.44 0.00 0.00 1.25 0.00 0.00 42.46 42.35 1ek6 s ILE 197 CO 0.76 -0.41 0.00 0.61 0.24 0.00 0.00 174.94 176.14 1ek6 n GLY 198 N 0.65 1.20 3.59 6.27 0.00 -1.26 -3.74 105.19 111.90 1ek6 n GLY 198 Ca -0.16 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.69 3.80 -0.51 1.61 2.12 -1.26 -4.81 118.70 118.96 1ek6 s GLU 199 Ca 0.00 0.45 0.04 0.00 0.36 0.00 0.00 54.97 55.82 1ek6 s GLU 199 Cb 0.00 -3.81 0.17 0.00 0.26 0.00 0.00 34.13 30.75 1ek6 s GLU 199 CO 0.00 -0.90 0.39 0.34 -0.54 0.00 0.00 175.26 174.55 1ek6 s ASP 200 N 1.86 2.52 0.63 -1.70 2.15 -1.26 -4.96 116.67 115.91 1ek6 s ASP 200 Ca 0.35 -3.33 -0.18 0.00 0.43 0.00 0.00 52.55 49.82 1ek6 s ASP 200 Cb -0.13 -0.82 -0.02 0.00 -0.30 0.00 0.00 42.92 41.66 1ek6 s ASP 200 CO 0.18 -0.14 1.21 -2.16 -0.17 0.00 0.00 175.17 174.08 1ek6 s PRO 201 N -0.44 2.76 -0.22 4.34 0.04 -1.26 -4.53 135.00 135.69 1ek6 s PRO 201 Ca 0.30 1.80 -0.20 0.00 0.04 0.00 0.00 61.00 62.94 1ek6 s PRO 201 Cb 0.01 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1ek6 s PRO 201 CO -0.19 -1.37 0.61 -1.14 0.04 0.00 0.00 177.00 174.95 1ek6 s GLN 202 N -3.51 4.17 0.78 4.56 2.00 -1.26 -4.83 119.66 121.56 1ek6 s GLN 202 Ca 0.76 0.55 0.00 0.00 -2.00 0.00 0.00 55.36 54.67 1ek6 s GLN 202 Cb -0.30 -3.60 0.00 0.00 0.80 0.00 0.00 33.01 29.91 1ek6 s GLN 202 CO 0.37 -0.29 0.00 0.41 -0.50 0.00 0.00 175.29 175.28 1ek6 n GLY 203 N 3.96 0.00 3.75 2.59 0.00 -1.26 -4.86 105.19 109.37 1ek6 n GLY 203 Ca -0.02 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 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 4.95 0.28 -0.61 1.01 -1.26 -5.02 121.20 120.55 1ek6 s ILE 204 Ca 0.00 1.26 -0.30 0.00 0.00 0.00 0.00 60.65 61.61 1ek6 s ILE 204 Cb 0.00 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.42 1ek6 s ILE 204 CO 0.00 0.39 1.45 -2.84 0.00 0.00 0.00 174.94 173.93 1ek6 s PRO 205 N 0.02 4.24 -0.02 2.79 0.02 -1.26 -4.92 135.00 135.87 1ek6 s PRO 205 Ca 0.32 2.36 0.16 0.00 0.02 0.00 0.00 61.00 63.86 1ek6 s PRO 205 Cb -0.18 -3.07 -0.20 0.00 0.02 0.00 0.00 34.50 31.07 1ek6 s PRO 205 CO 0.17 -0.43 0.64 0.09 -0.33 0.00 0.00 177.00 177.14 1ek6 n ASN 206 N 1.86 0.70 -4.81 2.53 3.02 -1.26 -4.82 115.26 112.47 1ek6 n ASN 206 Ca 0.05 0.32 -0.35 0.00 -0.03 0.00 0.00 54.58 54.58 1ek6 n ASN 206 Cb 0.40 0.29 -0.07 0.00 -0.61 0.00 0.00 39.78 39.79 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 -5.79 7.06 0.09 6.41 -0.87 -1.26 -5.01 114.94 115.56 1ek6 s ASN 207 Ca -0.05 1.65 -0.36 0.00 -1.57 0.00 0.00 52.86 52.54 1ek6 s ASN 207 Cb 0.08 -2.52 -0.17 0.00 -0.02 0.00 0.00 41.25 38.63 1ek6 s ASN 207 CO 0.82 -0.20 1.56 0.25 -2.57 0.00 0.00 177.10 176.97 1ek6 h LEU 208 N 2.54 -1.40 -0.51 0.60 5.85 -2.00 -2.99 115.31 117.39 1ek6 h LEU 208 Ca -0.48 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.38 1ek6 h LEU 208 Cb 1.18 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 42.65 1ek6 h LEU 208 CO 0.63 -0.66 0.31 0.24 -0.34 0.00 0.00 178.44 178.62 1ek6 h MET 209 N -0.99 0.60 -0.07 1.25 2.86 -1.96 0.21 114.93 116.83 1ek6 h MET 209 Ca -0.06 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 1ek6 h MET 209 Cb 0.87 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1ek6 h MET 209 CO -0.08 0.40 -0.37 -1.00 1.06 0.00 0.00 176.91 176.91 1ek6 h PRO 210 N 0.62 0.15 -0.12 -0.22 0.13 -1.93 0.52 132.00 131.15 1ek6 h PRO 210 Ca 0.21 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.24 1ek6 h PRO 210 Cb 0.01 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ek6 h PRO 210 CO -0.09 0.51 -0.04 -0.92 -0.23 0.00 0.00 178.00 177.24 1ek6 h TYR 211 N 0.13 0.28 -0.33 1.56 3.20 -1.22 -1.76 116.97 118.82 1ek6 h TYR 211 Ca 0.01 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.86 1ek6 h TYR 211 Cb 0.73 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 1ek6 h TYR 211 CO 0.01 0.55 0.13 0.28 -1.64 0.00 0.00 178.16 177.48 1ek6 h VAL 212 N -0.08 0.93 -0.86 1.81 2.07 -0.27 -1.92 116.25 117.93 1ek6 h VAL 212 Ca 0.03 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1ek6 h VAL 212 Cb 0.46 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1ek6 h VAL 212 CO 0.01 0.05 0.56 0.77 0.02 0.00 0.00 177.57 178.98 1ek6 h SER 213 N 0.28 1.01 0.63 0.57 4.64 -0.85 -1.68 113.55 118.14 1ek6 h SER 213 Ca 0.14 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1ek6 h SER 213 Cb 0.10 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1ek6 h SER 213 CO -0.14 0.74 -0.17 1.56 -0.87 0.00 0.00 176.83 177.96 1ek6 h GLN 214 N 1.18 0.00 0.06 4.77 4.20 -0.83 -1.30 115.11 123.20 1ek6 h GLN 214 Ca 0.31 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 1ek6 h GLN 214 Cb -0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1ek6 h GLN 214 CO -0.07 0.17 -0.03 0.28 -0.67 0.00 0.00 178.83 178.51 1ek6 h VAL 215 N 0.00 1.14 -0.88 -0.54 2.07 -0.57 0.56 116.25 118.04 1ek6 h VAL 215 Ca -0.00 -1.54 0.11 0.00 0.82 0.00 0.00 66.70 66.09 1ek6 h VAL 215 Cb 0.53 2.03 -0.07 0.00 -1.52 0.00 0.00 31.29 32.27 1ek6 h VAL 215 CO 0.02 0.34 0.57 0.00 0.02 0.00 0.00 177.57 178.52 1ek6 h ALA 216 N -0.18 1.72 0.00 1.67 0.00 -1.10 -0.07 119.26 121.30 1ek6 h ALA 216 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ek6 h ALA 216 Cb 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ek6 h ALA 216 CO 0.01 0.08 0.00 1.51 0.00 0.00 0.00 179.25 180.85 1ek6 n ILE 217 N -4.54 0.53 -0.22 0.00 0.13 -0.51 -4.90 119.36 109.85 1ek6 n ILE 217 Ca 0.16 -0.18 0.00 0.00 -1.10 0.00 0.00 62.75 61.62 1ek6 n ILE 217 Cb 0.37 -0.63 0.00 0.00 -0.84 0.00 0.00 39.64 38.54 1ek6 n ILE 217 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1ek6 n GLY 218 N 1.19 0.73 0.21 4.50 0.00 -0.04 -4.96 105.19 106.82 1ek6 n GLY 218 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 4.03 0.00 -5.78 1.61 2.43 -0.13 -3.44 114.38 113.11 1ek6 h ARG 219 Ca 0.00 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.63 1ek6 h ARG 219 Cb 0.00 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 29.28 1ek6 h ARG 219 CO 0.00 0.29 -0.83 1.03 -1.51 0.00 0.00 179.97 178.95 1ek6 s ARG 220 N -3.64 1.32 0.06 0.20 1.81 -0.40 -4.96 118.95 113.34 1ek6 s ARG 220 Ca 0.00 -0.78 -0.23 0.00 -1.72 0.00 0.00 55.73 53.00 1ek6 s ARG 220 Cb 0.11 -1.35 -0.16 0.00 -0.45 0.00 0.00 34.95 33.10 1ek6 s ARG 220 CO 0.66 0.35 1.61 0.93 -0.68 0.00 0.00 175.30 178.17 1ek6 h GLU 221 N 5.22 0.04 -2.44 3.54 5.08 -1.89 -3.38 114.58 120.74 1ek6 h GLU 221 Ca -0.39 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1ek6 h GLU 221 Cb 1.16 -0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.25 1ek6 h GLU 221 CO 0.46 0.16 0.31 0.00 -1.00 0.00 0.00 179.01 178.94 1ek6 s ALA 222 N -5.65 -1.73 0.15 3.43 0.00 -1.26 -4.64 121.76 112.06 1ek6 s ALA 222 Ca -0.14 0.93 -0.26 0.00 0.00 0.00 0.00 51.96 52.49 1ek6 s ALA 222 Cb 0.05 0.40 -0.07 0.00 0.00 0.00 0.00 23.12 23.50 1ek6 s ALA 222 CO 0.67 -0.61 0.81 -1.17 0.00 0.00 0.00 175.76 175.47 1ek6 s LEU 223 N -2.14 4.56 -0.32 0.00 2.96 0.70 -4.93 118.68 119.52 1ek6 s LEU 223 Ca -0.01 1.66 -0.13 0.00 -0.22 0.00 0.00 54.13 55.43 1ek6 s LEU 223 Cb -0.01 -3.35 -0.03 0.00 0.50 0.00 0.00 46.19 43.30 1ek6 s LEU 223 CO -0.05 0.14 0.25 0.20 -1.32 0.00 0.00 176.35 175.56 1ek6 s ASN 224 N -0.82 6.07 -0.28 3.68 0.02 -1.26 -0.56 114.94 121.79 1ek6 s ASN 224 Ca 0.38 -0.22 -0.20 0.00 -1.02 0.00 0.00 52.86 51.80 1ek6 s ASN 224 Cb -0.23 -2.14 -0.01 0.00 0.02 0.00 0.00 41.25 38.88 1ek6 s ASN 224 CO 0.27 -0.18 0.64 -0.69 0.02 0.00 0.00 177.10 177.15 1ek6 s VAL 225 N 1.79 4.96 -1.19 1.60 1.01 0.14 -4.92 120.40 123.79 1ek6 s VAL 225 Ca 0.08 1.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.89 1ek6 s VAL 225 Cb -0.17 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.31 1ek6 s VAL 225 CO 0.11 -0.05 1.62 -0.36 0.00 0.00 0.00 175.10 176.42 1ek6 s PHE 226 N 2.56 2.70 0.00 5.22 2.99 -1.26 -0.14 117.98 130.05 1ek6 s PHE 226 Ca 0.26 -1.34 0.00 0.00 0.00 0.00 0.00 56.93 55.85 1ek6 s PHE 226 Cb -0.15 -4.73 0.00 0.00 0.00 0.00 0.00 43.02 38.14 1ek6 s PHE 226 CO 0.10 -1.85 0.00 0.41 -0.00 0.00 0.00 175.22 173.88 1ek6 n GLY 227 N 5.94 -2.20 0.60 4.36 0.00 -0.23 -4.29 105.19 109.37 1ek6 n GLY 227 Ca 0.43 -1.31 0.01 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.15 0.18 -1.13 1.61 6.94 -1.25 -4.48 115.26 115.97 1ek6 n ASN 228 Ca 0.00 -2.04 -0.04 0.00 -0.02 0.00 0.00 54.58 52.48 1ek6 n ASN 228 Cb 0.00 -0.22 0.20 0.00 -2.36 0.00 0.00 39.78 37.40 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 0.01 2.40 -4.92 0.53 3.85 -0.99 -4.37 116.55 113.06 1ek6 n ASP 229 Ca 0.01 -3.81 -0.26 0.00 -0.71 0.00 0.00 54.79 50.02 1ek6 n ASP 229 Cb 0.75 -0.63 0.03 0.00 -1.35 0.00 0.00 41.12 39.91 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 -3.26 3.28 -1.50 2.11 2.02 0.29 -4.96 117.35 115.33 1ek6 s TYR 230 Ca 0.44 0.61 -0.10 0.00 -0.37 0.00 0.00 57.07 57.65 1ek6 s TYR 230 Cb 0.41 -2.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.33 1ek6 s TYR 230 CO -0.01 -0.71 2.59 -3.47 -1.57 0.00 0.00 175.55 172.38 1ek6 n ASP 231 N -2.49 7.11 -4.32 2.29 4.64 -1.26 -4.18 116.55 118.34 1ek6 n ASP 231 Ca 0.04 -2.78 -0.17 0.00 -1.38 0.00 0.00 54.79 50.50 1ek6 n ASP 231 Cb 0.57 -1.54 -0.10 0.00 -1.04 0.00 0.00 41.12 39.01 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 1.69 0.97 0.16 5.18 -4.23 -1.26 -4.92 115.64 113.23 1ek6 s THR 232 Ca 0.59 -2.03 -0.25 0.00 -1.18 0.00 0.00 61.69 58.82 1ek6 s THR 232 Cb 0.16 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.71 1ek6 s THR 232 CO -0.07 -0.33 1.58 -0.08 -0.54 0.00 0.00 174.62 175.18 1ek6 h GLU 233 N 2.50 -0.27 -0.25 3.99 4.81 -1.88 -1.55 114.58 121.93 1ek6 h GLU 233 Ca -0.38 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1ek6 h GLU 233 Cb 1.22 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1ek6 h GLU 233 CO 0.64 -0.18 0.00 -0.40 -0.73 0.00 0.00 179.01 178.34 1ek6 n ASP 234 N -5.42 3.21 0.00 1.04 3.85 -1.26 -4.95 116.55 113.02 1ek6 n ASP 234 Ca 0.01 -1.98 0.00 0.00 -0.71 0.00 0.00 54.79 52.11 1ek6 n ASP 234 Cb 0.35 -0.15 0.00 0.00 -1.35 0.00 0.00 41.12 39.97 1ek6 n ASP 234 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ek6 n GLY 235 N 1.44 2.57 3.96 6.12 0.00 -0.59 -4.91 105.19 113.78 1ek6 n GLY 235 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.23 4.30 0.47 2.61 -4.23 -1.26 -0.55 115.64 114.74 1ek6 s THR 236 Ca 0.00 -0.69 -0.24 0.00 -1.18 0.00 0.00 61.69 59.58 1ek6 s THR 236 Cb 0.00 -3.55 -0.08 0.00 1.34 0.00 0.00 72.50 70.21 1ek6 s THR 236 CO 0.00 -0.31 1.39 0.61 -0.54 0.00 0.00 174.62 175.76 1ek6 n GLY 237 N -1.84 0.87 3.38 3.99 0.00 -1.26 -4.60 105.19 105.72 1ek6 n GLY 237 Ca -0.01 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1ek6 n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ek6 s VAL 238 N -1.22 3.26 0.08 1.61 1.01 -0.01 -1.52 120.40 123.61 1ek6 s VAL 238 Ca 0.63 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1ek6 s VAL 238 Cb -0.45 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1ek6 s VAL 238 CO 0.56 0.50 -0.07 -0.13 0.00 0.00 0.00 175.10 175.96 1ek6 s ARG 239 N 0.58 0.73 -0.63 2.72 1.81 -0.51 -1.39 118.95 122.27 1ek6 s ARG 239 Ca -0.06 -1.17 -0.19 0.00 -1.72 0.00 0.00 55.73 52.58 1ek6 s ARG 239 Cb -0.15 -0.19 0.10 0.00 -0.45 0.00 0.00 34.95 34.26 1ek6 s ARG 239 CO 0.03 -0.01 0.77 0.34 -0.68 0.00 0.00 175.30 175.76 1ek6 s ASP 240 N -2.64 6.22 0.03 0.23 3.68 -0.93 -0.76 116.67 122.49 1ek6 s ASP 240 Ca 0.06 -1.44 -0.29 0.00 2.13 0.00 0.00 52.55 53.01 1ek6 s ASP 240 Cb 0.01 -2.32 -0.04 0.00 -1.45 0.00 0.00 42.92 39.12 1ek6 s ASP 240 CO -0.04 -1.15 0.91 -0.31 0.13 0.00 0.00 175.17 174.71 1ek6 s TYR 241 N 2.83 3.70 -0.01 -5.34 2.02 -1.26 -0.97 117.35 118.32 1ek6 s TYR 241 Ca 0.15 1.64 0.04 0.00 -0.37 0.00 0.00 57.07 58.52 1ek6 s TYR 241 Cb -0.22 -3.02 -0.01 0.00 -0.40 0.00 0.00 41.96 38.31 1ek6 s TYR 241 CO 0.05 0.10 -0.12 -1.50 -1.57 0.00 0.00 175.55 172.51 1ek6 s ILE 242 N 0.57 1.00 0.13 2.71 2.07 -0.48 -4.62 121.20 122.58 1ek6 s ILE 242 Ca 0.47 -0.52 -0.31 0.00 -1.41 0.00 0.00 60.65 58.87 1ek6 s ILE 242 Cb -0.21 -0.84 -0.09 0.00 0.13 0.00 0.00 42.46 41.44 1ek6 s ILE 242 CO 0.27 0.29 1.63 -2.28 -1.91 0.00 0.00 174.94 172.93 1ek6 s HIS 243 N -0.19 2.75 0.50 3.50 5.65 -1.26 -0.51 115.29 125.73 1ek6 s HIS 243 Ca 0.03 0.45 0.24 0.00 0.25 0.00 0.00 55.06 56.03 1ek6 s HIS 243 Cb -0.06 -3.97 1.31 0.00 -1.18 0.00 0.00 32.58 28.68 1ek6 s HIS 243 CO -0.00 -3.74 1.93 -0.24 -0.65 0.00 0.00 174.74 172.04 1ek6 h VAL 244 N 4.35 0.68 -0.45 0.89 3.04 -0.95 0.08 116.25 123.89 1ek6 h VAL 244 Ca -0.43 -0.05 -0.07 0.00 -1.01 0.00 0.00 66.70 65.14 1ek6 h VAL 244 Cb 1.20 0.53 -0.02 0.00 -2.01 0.00 0.00 31.29 31.00 1ek6 h VAL 244 CO 0.92 0.03 -0.00 0.58 -1.01 0.00 0.00 177.57 178.09 1ek6 h VAL 245 N 0.14 1.26 -0.48 1.51 2.07 -1.89 0.98 116.25 119.84 1ek6 h VAL 245 Ca 0.36 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1ek6 h VAL 245 Cb 1.22 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1ek6 h VAL 245 CO -0.05 0.36 0.21 0.44 0.02 0.00 0.00 177.57 178.55 1ek6 h ASP 246 N 0.65 0.64 -0.55 0.57 3.32 -1.39 -1.58 116.42 118.08 1ek6 h ASP 246 Ca 0.13 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1ek6 h ASP 246 Cb 0.50 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1ek6 h ASP 246 CO 0.02 0.61 0.29 0.25 -1.72 0.00 0.00 179.24 178.70 1ek6 h LEU 247 N 0.63 0.70 -0.64 1.55 5.85 -1.13 -1.72 115.31 120.56 1ek6 h LEU 247 Ca 0.16 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1ek6 h LEU 247 Cb 0.16 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1ek6 h LEU 247 CO -0.02 0.61 0.39 0.00 -0.34 0.00 0.00 178.44 179.08 1ek6 h ALA 248 N 1.12 0.84 -0.12 1.25 0.00 -0.55 -1.97 119.26 119.84 1ek6 h ALA 248 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1ek6 h ALA 248 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ek6 h ALA 248 CO -0.03 0.12 -0.01 0.87 0.00 0.00 0.00 179.25 180.20 1ek6 h LYS 249 N 0.75 0.16 0.00 0.00 1.57 -0.67 -1.14 116.57 117.24 1ek6 h LYS 249 Ca 0.27 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1ek6 h LYS 249 Cb 0.06 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1ek6 h LYS 249 CO -0.12 0.20 -0.01 0.78 -0.57 0.00 0.00 179.45 179.73 1ek6 h GLY 250 N 0.39 0.00 1.81 3.86 0.00 -0.53 -1.47 103.07 107.13 1ek6 h GLY 250 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 1ek6 h GLY 250 CO 0.00 0.00 -0.36 0.45 0.00 0.00 0.00 176.54 176.63 1ek6 h HIS 251 N 0.00 0.25 -0.34 5.60 3.86 -1.21 -0.90 115.15 122.41 1ek6 h HIS 251 Ca -0.00 -0.06 -0.13 0.00 -1.16 0.00 0.00 60.37 59.02 1ek6 h HIS 251 Cb 0.02 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1ek6 h HIS 251 CO 0.00 0.56 -0.30 0.82 0.86 0.00 0.00 177.93 179.87 1ek6 h ILE 252 N 0.19 1.29 -0.62 2.45 1.08 -1.37 -1.17 117.51 119.36 1ek6 h ILE 252 Ca 0.02 -1.46 -0.04 0.00 -0.39 0.00 0.00 64.86 62.99 1ek6 h ILE 252 Cb 0.74 1.46 -0.03 0.00 -3.07 0.00 0.00 36.82 35.91 1ek6 h ILE 252 CO 0.06 0.48 0.23 0.00 -0.69 0.00 0.00 178.15 178.22 1ek6 h ALA 253 N 0.75 1.23 -0.62 1.87 0.00 -1.38 -1.96 119.26 119.15 1ek6 h ALA 253 Ca 0.06 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1ek6 h ALA 253 Cb 0.88 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ek6 h ALA 253 CO 0.08 0.56 0.13 0.00 0.00 0.00 0.00 179.25 180.02 1ek6 h ALA 254 N 1.35 0.82 -0.93 0.00 0.00 -0.88 -1.79 119.26 117.82 1ek6 h ALA 254 Ca 0.21 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ek6 h ALA 254 Cb 0.21 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1ek6 h ALA 254 CO -0.02 0.54 0.62 -0.07 0.00 0.00 0.00 179.25 180.32 1ek6 h LEU 255 N 0.91 1.07 -0.72 0.00 3.38 -0.69 -1.47 115.31 117.79 1ek6 h LEU 255 Ca 0.19 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 1ek6 h LEU 255 Cb 0.38 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1ek6 h LEU 255 CO 0.01 0.77 0.11 0.03 0.09 0.00 0.00 178.44 179.45 1ek6 h ARG 256 N 1.26 1.08 -0.81 1.13 3.08 -1.00 -2.76 114.38 116.36 1ek6 h ARG 256 Ca 0.34 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ek6 h ARG 256 Cb -0.15 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.73 1ek6 h ARG 256 CO -0.07 0.99 0.49 -0.22 -1.07 0.00 0.00 179.97 180.09 1ek6 h LYS 257 N 1.02 1.10 -0.94 0.04 1.63 -0.68 -2.22 116.57 116.52 1ek6 h LYS 257 Ca 0.20 -0.10 0.08 0.00 -0.85 0.00 0.00 60.65 59.98 1ek6 h LYS 257 Cb 0.43 -0.23 -0.07 0.00 -0.60 0.00 0.00 32.23 31.77 1ek6 h LYS 257 CO 0.01 0.78 0.60 -0.07 -3.45 0.00 0.00 179.45 177.32 1ek6 h LEU 258 N 1.12 0.91 -1.32 5.20 3.38 -1.01 -0.89 115.31 122.70 1ek6 h LEU 258 Ca 0.29 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1ek6 h LEU 258 Cb -0.05 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1ek6 h LEU 258 CO -0.06 0.56 0.00 0.11 0.09 0.00 0.00 178.44 179.14 1ek6 h LYS 259 N 1.01 0.00 -0.07 1.13 1.79 -1.19 -0.50 116.57 118.74 1ek6 h LYS 259 Ca 0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 1ek6 h LYS 259 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1ek6 h LYS 259 CO -0.18 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.58 1ek6 n GLU 260 N -2.45 1.34 -3.36 3.15 1.02 -0.34 -4.88 120.64 115.12 1ek6 n GLU 260 Ca 0.00 -0.51 -0.17 0.00 -0.02 0.00 0.00 57.16 56.45 1ek6 n GLU 260 Cb 0.15 -1.36 0.07 0.00 -0.02 0.00 0.00 31.44 30.28 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 -0.28 -3.34 0.13 3.49 1.13 -0.20 -4.90 117.38 113.40 1ek6 n GLN 261 Ca 0.16 0.81 0.13 0.00 -1.94 0.00 0.00 57.00 56.15 1ek6 n GLN 261 Cb 0.19 -5.64 0.44 0.00 0.11 0.00 0.00 30.24 25.34 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 0.74 -0.33 3.55 0.00 0.00 -1.26 -4.67 105.19 103.22 1ek6 n GLY 263 Ca 0.04 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 2.20 0.95 -0.08 0.00 1.81 -0.21 -4.97 118.95 118.65 1ek6 s ARG 265 Ca 0.15 -0.89 0.02 0.00 -1.72 0.00 0.00 55.73 53.29 1ek6 s ARG 265 Cb -0.16 -1.00 0.02 0.00 -0.45 0.00 0.00 34.95 33.36 1ek6 s ARG 265 CO 0.12 0.24 -0.12 0.42 -0.68 0.00 0.00 175.30 175.28 1ek6 s ILE 266 N -1.02 1.16 -0.00 1.52 1.01 -1.26 -0.07 121.20 122.53 1ek6 s ILE 266 Ca 0.01 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1ek6 s ILE 266 Cb -0.09 -1.08 -0.00 0.00 0.01 0.00 0.00 42.46 41.30 1ek6 s ILE 266 CO 0.02 0.37 -0.02 -0.31 0.00 0.00 0.00 174.94 175.00 1ek6 s TYR 267 N 0.86 0.16 0.33 3.97 1.51 -0.67 -4.97 117.35 118.53 1ek6 s TYR 267 Ca -0.11 -0.03 -0.26 0.00 -1.01 0.00 0.00 57.07 55.66 1ek6 s TYR 267 Cb -0.15 -0.10 -0.10 0.00 -0.11 0.00 0.00 41.96 41.50 1ek6 s TYR 267 CO 0.01 -0.00 0.96 -0.80 -1.11 0.00 0.00 175.55 174.61 1ek6 s ASN 268 N -0.03 7.28 -0.34 2.29 0.01 -1.26 -0.41 114.94 122.48 1ek6 s ASN 268 Ca 0.01 1.88 0.02 0.00 -0.71 0.00 0.00 52.86 54.06 1ek6 s ASN 268 Cb -0.01 -2.58 0.10 0.00 0.41 0.00 0.00 41.25 39.17 1ek6 s ASN 268 CO -0.00 -0.11 0.09 -0.76 -1.51 0.00 0.00 177.10 174.81 1ek6 s LEU 269 N -2.07 3.63 0.00 0.60 1.43 -0.51 -4.58 118.68 117.18 1ek6 s LEU 269 Ca 0.50 -2.03 -0.07 0.00 -1.03 0.00 0.00 54.13 51.51 1ek6 s LEU 269 Cb -0.20 -1.29 0.03 0.00 0.03 0.00 0.00 46.19 44.76 1ek6 s LEU 269 CO 0.25 -0.38 0.60 0.61 0.23 0.00 0.00 176.35 177.66 1ek6 n GLY 270 N 4.38 1.66 0.06 -3.19 0.00 -1.26 -1.56 105.19 105.29 1ek6 n GLY 270 Ca 0.02 -1.47 -0.03 0.00 0.00 0.00 0.00 46.02 44.54 1ek6 n GLY 270 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ek6 n THR 271 N -0.56 0.82 -0.26 2.61 -2.24 -1.26 -4.59 114.28 108.79 1ek6 n THR 271 Ca -0.03 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1ek6 n THR 271 Cb 0.59 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 1.73 0.63 3.25 3.38 0.00 -1.24 -4.88 105.19 108.07 1ek6 n GLY 272 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.51 2.64 -0.02 2.61 2.01 -1.26 -4.79 115.64 114.31 1ek6 s THR 273 Ca 0.00 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.20 1ek6 s THR 273 Cb 0.00 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1ek6 s THR 273 CO 0.00 0.51 0.16 -0.83 -0.69 0.00 0.00 174.62 173.77 1ek6 s GLY 274 N 0.91 2.15 -0.01 4.40 0.00 -1.26 -4.01 107.32 109.51 1ek6 s GLY 274 Ca -0.03 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 43.95 1ek6 s GLY 274 CO -0.02 -0.63 -0.10 -0.19 0.00 0.00 0.00 173.10 172.17 1ek6 s TYR 275 N -1.27 0.88 0.72 1.90 2.02 0.06 -4.90 117.35 116.76 1ek6 s TYR 275 Ca 0.25 -0.17 -0.09 0.00 -0.37 0.00 0.00 57.07 56.69 1ek6 s TYR 275 Cb -0.12 -0.57 0.05 0.00 -0.40 0.00 0.00 41.96 40.91 1ek6 s TYR 275 CO 0.16 -0.02 1.07 -1.54 -1.57 0.00 0.00 175.55 173.66 1ek6 s SER 276 N -0.23 4.97 0.13 2.29 1.04 -1.26 -1.42 113.70 119.22 1ek6 s SER 276 Ca 0.04 0.76 -0.19 0.00 0.48 0.00 0.00 55.95 57.04 1ek6 s SER 276 Cb -0.04 -1.44 -0.03 0.00 0.10 0.00 0.00 66.02 64.61 1ek6 s SER 276 CO -0.00 -1.57 1.75 0.58 0.98 0.00 0.00 173.24 174.98 1ek6 h VAL 277 N -0.71 0.93 -0.42 5.02 2.07 -1.53 -1.52 116.25 120.10 1ek6 h VAL 277 Ca -0.45 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 1ek6 h VAL 277 Cb 1.30 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1ek6 h VAL 277 CO 0.63 0.03 -0.03 -0.07 0.02 0.00 0.00 177.57 178.15 1ek6 h LEU 278 N 0.17 0.67 -1.12 2.57 3.38 -1.94 -1.65 115.31 117.39 1ek6 h LEU 278 Ca 0.10 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1ek6 h LEU 278 Cb 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1ek6 h LEU 278 CO -0.11 0.76 0.15 1.56 0.09 0.00 0.00 178.44 180.89 1ek6 h GLN 279 N 0.65 0.77 -0.32 1.13 4.20 -1.79 -0.94 115.11 118.81 1ek6 h GLN 279 Ca 0.13 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1ek6 h GLN 279 Cb 0.46 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1ek6 h GLN 279 CO 0.02 0.68 -0.09 0.52 -0.67 0.00 0.00 178.83 179.29 1ek6 h MET 280 N 0.76 0.63 -0.38 1.46 2.86 -0.82 0.05 114.93 119.48 1ek6 h MET 280 Ca 0.17 -0.25 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1ek6 h MET 280 Cb 0.24 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1ek6 h MET 280 CO -0.01 0.82 0.18 0.28 1.06 0.00 0.00 176.91 179.24 1ek6 h VAL 281 N 0.41 0.96 0.14 -2.22 2.07 -1.05 -0.44 116.25 116.12 1ek6 h VAL 281 Ca 0.08 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1ek6 h VAL 281 Cb 0.59 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1ek6 h VAL 281 CO 0.03 0.07 -0.15 -0.61 0.02 0.00 0.00 177.57 176.93 1ek6 h GLN 282 N 0.37 -0.32 -0.54 1.57 4.15 -1.00 0.85 115.11 120.19 1ek6 h GLN 282 Ca 0.17 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.67 1ek6 h GLN 282 Cb 0.09 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1ek6 h GLN 282 CO -0.13 -0.21 0.36 0.00 -1.93 0.00 0.00 178.83 176.93 1ek6 h ALA 283 N 0.50 1.91 -0.01 3.38 0.00 -0.66 -1.31 119.26 123.06 1ek6 h ALA 283 Ca 0.01 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1ek6 h ALA 283 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ek6 h ALA 283 CO -0.05 -0.00 -0.80 0.52 0.00 0.00 0.00 179.25 178.91 1ek6 h MET 284 N 0.47 0.17 -0.47 0.00 2.86 -0.31 -0.85 114.93 116.80 1ek6 h MET 284 Ca 0.24 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1ek6 h MET 284 Cb 0.34 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1ek6 h MET 284 CO -0.06 0.88 0.12 0.93 1.06 0.00 0.00 176.91 179.84 1ek6 h GLU 285 N 0.10 0.75 -0.04 1.72 5.08 0.20 -0.71 114.58 121.69 1ek6 h GLU 285 Ca -0.03 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1ek6 h GLU 285 Cb 1.39 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1ek6 h GLU 285 CO 0.12 0.73 0.02 -0.22 -1.00 0.00 0.00 179.01 178.66 1ek6 h LYS 286 N 0.63 0.04 -0.60 2.33 3.64 -1.19 0.46 116.57 121.88 1ek6 h LYS 286 Ca 0.15 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1ek6 h LYS 286 Cb 0.31 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1ek6 h LYS 286 CO 0.00 0.03 0.03 0.00 -2.27 0.00 0.00 179.45 177.24 1ek6 h ALA 287 N 1.02 0.93 0.00 5.00 0.00 -0.93 -3.27 119.26 122.01 1ek6 h ALA 287 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ek6 h ALA 287 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1ek6 h ALA 287 CO -0.01 0.65 -0.87 0.66 0.00 0.00 0.00 179.25 179.67 1ek6 h SER 288 N 0.94 0.00 -0.14 0.00 4.64 -1.04 -3.48 113.55 114.47 1ek6 h SER 288 Ca 0.18 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 1ek6 h SER 288 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1ek6 h SER 288 CO 0.02 0.00 -0.05 0.61 -0.87 0.00 0.00 176.83 176.54 1ek6 n GLY 289 N 1.17 0.52 3.73 -0.77 0.00 0.16 -4.98 105.19 105.02 1ek6 n GLY 289 Ca 0.01 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.51 2.49 -0.10 1.61 -0.14 -1.19 -5.04 119.74 115.85 1ek6 s LYS 290 Ca 0.00 -1.37 -0.18 0.00 -1.36 0.00 0.00 55.97 53.07 1ek6 s LYS 290 Cb 0.00 -2.28 -0.04 0.00 -1.68 0.00 0.00 37.83 33.83 1ek6 s LYS 290 CO 0.00 0.28 0.46 0.15 -0.76 0.00 0.00 175.35 175.48 1ek6 s LYS 291 N -3.79 4.29 -0.69 1.68 1.02 -1.26 -4.42 119.74 116.58 1ek6 s LYS 291 Ca 0.34 0.43 0.01 0.00 0.02 0.00 0.00 55.97 56.78 1ek6 s LYS 291 Cb -0.05 -3.41 0.17 0.00 -0.52 0.00 0.00 37.83 34.02 1ek6 s LYS 291 CO 0.22 0.23 0.50 0.42 -0.92 0.00 0.00 175.35 175.80 1ek6 s ILE 292 N 0.38 3.35 0.46 2.17 1.01 -1.26 -4.70 121.20 122.61 1ek6 s ILE 292 Ca 0.25 -3.68 -0.25 0.00 0.00 0.00 0.00 60.65 56.97 1ek6 s ILE 292 Cb -0.15 -3.18 -0.08 0.00 0.01 0.00 0.00 42.46 39.05 1ek6 s ILE 292 CO 0.10 -0.95 1.41 -0.81 0.00 0.00 0.00 174.94 174.69 1ek6 n PRO 293 N 2.64 2.16 -3.97 2.79 -0.04 -1.26 -4.84 135.00 132.48 1ek6 n PRO 293 Ca 0.14 0.77 -0.10 0.00 -0.04 0.00 0.00 63.50 64.28 1ek6 n PRO 293 Cb 0.35 -2.60 -0.06 0.00 -0.04 0.00 0.00 33.50 31.15 1ek6 n PRO 293 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1ek6 s TYR 294 N -1.20 0.39 -0.01 0.54 1.13 -1.26 -0.21 117.35 116.72 1ek6 s TYR 294 Ca 0.62 -0.73 -0.10 0.00 -1.41 0.00 0.00 57.07 55.45 1ek6 s TYR 294 Cb -0.45 0.06 0.01 0.00 -1.10 0.00 0.00 41.96 40.48 1ek6 s TYR 294 CO 0.57 -0.85 0.20 -1.59 -2.51 0.00 0.00 175.55 171.37 1ek6 s LYS 295 N -3.99 0.51 -0.19 -3.49 -2.85 0.27 -4.89 119.74 105.11 1ek6 s LYS 295 Ca 0.20 -0.25 -0.16 0.00 -1.00 0.00 0.00 55.97 54.76 1ek6 s LYS 295 Cb 0.01 0.22 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 1ek6 s LYS 295 CO 0.04 -0.12 0.42 0.08 0.10 0.00 0.00 175.35 175.87 1ek6 s VAL 296 N -1.17 5.18 0.04 1.79 1.01 -1.26 0.25 120.40 126.24 1ek6 s VAL 296 Ca -0.12 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1ek6 s VAL 296 Cb -0.06 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1ek6 s VAL 296 CO 0.02 0.25 0.01 1.33 0.00 0.00 0.00 175.10 176.70 1ek6 n VAL 297 N 4.32 0.00 -1.03 2.92 0.24 0.80 -4.90 118.33 120.68 1ek6 n VAL 297 Ca -0.08 -0.18 -0.31 0.00 -2.04 0.00 0.00 64.34 61.74 1ek6 n VAL 297 Cb 0.51 -0.07 0.12 0.00 -1.47 0.00 0.00 33.84 32.94 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 -2.06 1.91 0.75 2.33 0.00 -1.26 -1.07 121.76 122.35 1ek6 s ALA 298 Ca 0.00 0.39 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 1ek6 s ALA 298 Cb -0.00 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.83 1ek6 s ALA 298 CO 0.00 -2.19 1.21 1.03 0.00 0.00 0.00 175.76 175.81 1ek6 s ARG 299 N -4.80 2.01 -0.21 0.00 0.52 -1.26 -3.04 118.95 112.17 1ek6 s ARG 299 Ca 0.63 1.77 -0.13 0.00 -0.52 0.00 0.00 55.73 57.48 1ek6 s ARG 299 Cb -0.19 -1.82 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 1ek6 s ARG 299 CO 0.57 -1.93 0.29 0.50 0.02 0.00 0.00 175.30 174.74 1ek6 s ARG 300 N -3.97 4.15 0.31 3.54 3.52 -1.26 -4.87 118.95 120.38 1ek6 s ARG 300 Ca 0.74 -0.00 -0.29 0.00 -0.13 0.00 0.00 55.73 56.05 1ek6 s ARG 300 Cb -0.29 -3.52 -0.12 0.00 -1.56 0.00 0.00 34.95 29.46 1ek6 s ARG 300 CO 0.47 0.05 1.37 0.39 -0.81 0.00 0.00 175.30 176.77 1ek6 n GLU 301 N 4.23 2.20 0.00 5.12 1.02 -1.26 -1.92 120.64 130.04 1ek6 n GLU 301 Ca -0.12 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 1ek6 n GLU 301 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 1ek6 n GLU 301 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ek6 n GLY 302 N 1.32 2.45 3.78 0.62 0.00 -1.26 -4.11 105.19 107.98 1ek6 n GLY 302 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.41 7.00 0.24 1.61 1.01 -0.81 -4.66 116.67 119.64 1ek6 s ASP 303 Ca 0.00 2.02 0.06 0.00 0.71 0.00 0.00 52.55 55.34 1ek6 s ASP 303 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1ek6 s ASP 303 CO 0.00 -0.32 0.28 0.68 0.21 0.00 0.00 175.17 176.02 1ek6 s VAL 304 N -1.56 4.88 0.06 -1.27 -7.23 -1.26 -5.00 120.40 109.01 1ek6 s VAL 304 Ca 0.54 -1.16 -0.24 0.00 -1.81 0.00 0.00 61.98 59.31 1ek6 s VAL 304 Cb -0.23 -3.64 -0.17 0.00 0.56 0.00 0.00 36.38 32.91 1ek6 s VAL 304 CO 0.29 -0.32 1.60 0.00 -0.31 0.00 0.00 175.10 176.36 1ek6 h ALA 305 N 1.40 -0.01 -2.50 1.32 0.00 -1.97 -3.44 119.26 114.07 1ek6 h ALA 305 Ca -0.50 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 1ek6 h ALA 305 Cb 1.23 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.82 1ek6 h ALA 305 CO 0.61 -0.43 -0.26 0.00 0.00 0.00 0.00 179.25 179.17 1ek6 s ALA 306 N -5.63 -0.81 -0.28 0.00 0.00 -1.26 -0.83 121.76 112.95 1ek6 s ALA 306 Ca -0.14 0.35 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 1ek6 s ALA 306 Cb 0.05 0.08 0.09 0.00 0.00 0.00 0.00 23.12 23.33 1ek6 s ALA 306 CO 0.66 -0.27 0.73 0.00 0.00 0.00 0.00 175.76 176.88 1ek6 s TYR 308 N 1.45 -0.27 0.24 0.00 -0.85 -1.26 -2.20 117.35 114.47 1ek6 s TYR 308 Ca -0.09 0.23 0.02 0.00 -0.52 0.00 0.00 57.07 56.72 1ek6 s TYR 308 Cb -0.05 0.23 -0.03 0.00 0.38 0.00 0.00 41.96 42.48 1ek6 s TYR 308 CO -0.17 -0.58 0.40 0.00 -1.52 0.00 0.00 175.55 173.69 1ek6 s ALA 309 N -2.49 3.86 -0.42 9.51 0.00 -1.26 -0.92 121.76 130.04 1ek6 s ALA 309 Ca -0.05 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.77 1ek6 s ALA 309 Cb -0.01 -1.89 0.07 0.00 0.00 0.00 0.00 23.12 21.29 1ek6 s ALA 309 CO -0.02 0.26 0.27 1.21 0.00 0.00 0.00 175.76 177.47 1ek6 s ASN 310 N -3.71 5.71 -0.06 0.00 3.84 -0.35 -3.59 114.94 116.78 1ek6 s ASN 310 Ca 0.36 -1.42 0.14 0.00 0.21 0.00 0.00 52.86 52.16 1ek6 s ASN 310 Cb -0.10 -2.01 0.51 0.00 -0.55 0.00 0.00 41.25 39.10 1ek6 s ASN 310 CO 0.31 -0.53 1.40 -0.81 -2.79 0.00 0.00 177.10 174.67 1ek6 n PRO 311 N 4.96 2.75 -0.19 0.43 -0.04 -1.26 -4.57 135.00 137.08 1ek6 n PRO 311 Ca -0.11 -2.04 -0.04 0.00 -0.04 0.00 0.00 63.50 61.27 1ek6 n PRO 311 Cb 0.43 -1.62 0.06 0.00 -0.04 0.00 0.00 33.50 32.33 1ek6 n PRO 311 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1ek6 h SER 312 N 3.05 0.49 -0.29 3.54 0.02 -1.93 -2.71 113.55 115.72 1ek6 h SER 312 Ca 0.00 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1ek6 h SER 312 Cb 0.99 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.40 1ek6 h SER 312 CO 0.12 0.34 -0.01 0.25 -1.14 0.00 0.00 176.83 176.38 1ek6 h LEU 313 N 0.61 -0.14 -1.09 5.07 5.85 -1.94 0.15 115.31 123.82 1ek6 h LEU 313 Ca 0.23 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.05 1ek6 h LEU 313 Cb 0.08 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 1ek6 h LEU 313 CO -0.13 -0.04 0.61 0.00 -0.34 0.00 0.00 178.44 178.55 1ek6 h ALA 314 N 1.26 1.39 -0.35 1.25 0.00 -1.78 0.26 119.26 121.29 1ek6 h ALA 314 Ca 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ek6 h ALA 314 Cb 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ek6 h ALA 314 CO -0.25 0.53 0.09 0.37 0.00 0.00 0.00 179.25 179.99 1ek6 h GLN 315 N 1.19 0.56 -0.00 0.00 4.15 -1.02 0.39 115.11 120.38 1ek6 h GLN 315 Ca 0.37 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 1ek6 h GLN 315 Cb -0.02 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.60 1ek6 h GLN 315 CO -0.11 0.60 -0.00 0.93 -1.93 0.00 0.00 178.83 178.32 1ek6 h GLU 316 N 0.42 0.00 0.00 1.69 4.39 -0.10 -2.20 114.58 118.78 1ek6 h GLU 316 Ca 0.11 -0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.58 1ek6 h GLU 316 Cb 0.29 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 1ek6 h GLU 316 CO -0.00 0.39 -1.64 0.39 -1.16 0.00 0.00 179.01 176.99 1ek6 n GLU 317 N -4.90 0.63 -0.00 2.33 1.02 0.86 -4.25 120.64 116.33 1ek6 n GLU 317 Ca -0.08 0.21 0.10 0.00 -0.02 0.00 0.00 57.16 57.37 1ek6 n GLU 317 Cb 0.21 -1.76 -0.13 0.00 -0.02 0.00 0.00 31.44 29.73 1ek6 n GLU 317 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ek6 n LEU 318 N -2.91 0.56 -1.75 -4.62 4.77 0.07 -4.96 117.00 108.16 1ek6 n LEU 318 Ca -0.14 -0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 55.39 1ek6 n LEU 318 Cb 0.94 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 1ek6 n LEU 318 CO 0.44 0.14 -0.11 0.61 -1.33 0.00 0.00 177.39 177.14 1ek6 n GLY 319 N 1.42 -0.16 3.35 -0.72 0.00 -0.83 -4.88 105.19 103.37 1ek6 n GLY 319 Ca 0.01 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.79 2.31 -0.04 1.61 -0.00 -1.10 -4.98 118.94 113.96 1ek6 s TRP 320 Ca 0.07 -0.41 -0.13 0.00 -0.00 0.00 0.00 56.10 55.64 1ek6 s TRP 320 Cb -0.03 -1.36 0.02 0.00 -0.00 0.00 0.00 33.47 32.10 1ek6 s TRP 320 CO 0.09 0.17 0.30 0.95 -0.00 0.00 0.00 176.95 178.46 1ek6 s THR 321 N -0.86 0.04 -0.41 5.86 -4.23 -1.26 -2.61 115.64 112.18 1ek6 s THR 321 Ca 0.12 -0.36 -0.26 0.00 -1.18 0.00 0.00 61.69 60.01 1ek6 s THR 321 Cb -0.10 -0.55 0.02 0.00 1.34 0.00 0.00 72.50 73.21 1ek6 s THR 321 CO 0.03 -0.20 0.96 0.00 -0.54 0.00 0.00 174.62 174.87 1ek6 s ALA 322 N -0.91 3.32 -0.05 3.99 0.00 -1.26 -4.94 121.76 121.91 1ek6 s ALA 322 Ca -0.10 -0.54 -0.21 0.00 0.00 0.00 0.00 51.96 51.11 1ek6 s ALA 322 Cb -0.05 -3.63 -0.15 0.00 0.00 0.00 0.00 23.12 19.29 1ek6 s ALA 322 CO 0.03 -1.83 0.88 0.00 0.00 0.00 0.00 175.76 174.83 1ek6 h ALA 323 N 8.75 -0.23 -2.87 0.00 0.00 -1.98 -3.48 119.26 119.46 1ek6 h ALA 323 Ca -0.23 -0.22 -0.52 0.00 0.00 0.00 0.00 54.91 53.93 1ek6 h ALA 323 Cb 1.07 0.09 0.08 0.00 0.00 0.00 0.00 17.79 19.03 1ek6 h ALA 323 CO 1.02 -0.31 0.61 -0.51 0.00 0.00 0.00 179.25 180.05 1ek6 s LEU 324 N -9.01 4.23 0.00 0.00 1.43 -1.26 -5.08 118.68 108.99 1ek6 s LEU 324 Ca -0.12 2.64 0.06 0.00 -1.03 0.00 0.00 54.13 55.68 1ek6 s LEU 324 Cb 0.01 -3.89 0.06 0.00 0.03 0.00 0.00 46.19 42.39 1ek6 s LEU 324 CO 0.47 -0.82 0.49 0.61 0.23 0.00 0.00 176.35 177.33 1ek6 n GLY 325 N 0.67 2.35 0.22 -3.19 0.00 -1.26 -4.64 105.19 99.35 1ek6 n GLY 325 Ca 0.03 -2.24 -0.06 0.00 0.00 0.00 0.00 46.02 43.76 1ek6 n GLY 325 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ek6 h LEU 326 N 0.00 -0.57 -0.43 0.99 5.85 -1.98 -0.82 115.31 118.35 1ek6 h LEU 326 Ca -0.24 0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.69 1ek6 h LEU 326 Cb 1.00 0.31 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 1ek6 h LEU 326 CO 0.37 -0.20 0.03 -0.78 -0.34 0.00 0.00 178.44 177.52 1ek6 h ASP 327 N -0.11 -0.11 -0.77 1.25 1.82 -1.97 0.28 116.42 116.81 1ek6 h ASP 327 Ca 0.18 0.09 -0.03 0.00 -0.39 0.00 0.00 57.03 56.88 1ek6 h ASP 327 Cb 0.38 0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.51 1ek6 h ASP 327 CO -0.42 -0.02 0.35 -0.09 -1.61 0.00 0.00 179.24 177.45 1ek6 h ARG 328 N 0.15 1.12 -0.01 0.28 9.65 -1.90 0.89 114.38 124.57 1ek6 h ARG 328 Ca 0.21 -0.18 -0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1ek6 h ARG 328 Cb 0.29 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.68 1ek6 h ARG 328 CO -0.32 0.88 0.00 0.52 2.80 0.00 0.00 179.97 183.85 1ek6 h MET 329 N 1.09 0.01 -0.57 0.20 2.86 0.31 0.04 114.93 118.87 1ek6 h MET 329 Ca 0.26 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 1ek6 h MET 329 Cb 0.15 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1ek6 h MET 329 CO -0.03 0.13 0.28 0.00 1.06 0.00 0.00 176.91 178.35 1ek6 h GLU 331 N 0.77 0.56 -0.42 0.00 4.81 -0.73 0.11 114.58 119.68 1ek6 h GLU 331 Ca 0.20 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1ek6 h GLU 331 Cb 0.10 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1ek6 h GLU 331 CO -0.03 0.49 -0.16 -0.44 -0.73 0.00 0.00 179.01 178.14 1ek6 h ASP 332 N 0.50 0.79 0.04 1.04 3.32 -0.78 -0.88 116.42 120.44 1ek6 h ASP 332 Ca 0.14 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1ek6 h ASP 332 Cb 0.11 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1ek6 h ASP 332 CO -0.02 0.95 -0.02 0.25 -1.72 0.00 0.00 179.24 178.68 1ek6 h LEU 333 N 0.70 -0.05 -0.90 1.55 5.85 -0.84 -2.48 115.31 119.15 1ek6 h LEU 333 Ca 0.11 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1ek6 h LEU 333 Cb 0.65 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1ek6 h LEU 333 CO 0.05 0.18 0.43 -0.25 -0.34 0.00 0.00 178.44 178.50 1ek6 h TRP 334 N -0.27 1.21 -0.36 1.25 -0.00 -0.63 -1.46 115.95 115.69 1ek6 h TRP 334 Ca -0.01 -0.05 0.03 0.00 -0.00 0.00 0.00 58.89 58.87 1ek6 h TRP 334 Cb 0.25 -0.38 -0.03 0.00 -0.00 0.00 0.00 29.16 29.00 1ek6 h TRP 334 CO -0.00 0.86 0.15 -0.09 -0.00 0.00 0.00 178.44 179.36 1ek6 h ARG 335 N 1.21 0.31 -0.16 2.65 2.43 -1.05 0.27 114.38 120.03 1ek6 h ARG 335 Ca 0.29 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1ek6 h ARG 335 Cb 0.09 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1ek6 h ARG 335 CO -0.04 0.21 0.08 2.35 -1.51 0.00 0.00 179.97 181.06 1ek6 h TRP 336 N 0.32 0.15 0.08 2.20 2.91 -1.14 -1.02 115.95 119.45 1ek6 h TRP 336 Ca 0.16 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.18 1ek6 h TRP 336 Cb 0.10 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.69 1ek6 h TRP 336 CO -0.12 0.09 -0.07 0.37 -1.03 0.00 0.00 178.44 177.68 1ek6 h GLN 337 N 0.17 -0.15 -0.59 2.65 5.75 -0.91 0.17 115.11 122.20 1ek6 h GLN 337 Ca 0.07 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1ek6 h GLN 337 Cb 0.01 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 1ek6 h GLN 337 CO -0.04 -0.10 0.33 -0.22 -2.65 0.00 0.00 178.83 176.14 1ek6 h LYS 338 N -0.16 0.82 0.00 1.69 3.64 -0.92 -0.66 116.57 120.99 1ek6 h LYS 338 Ca 0.00 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1ek6 h LYS 338 Cb 0.15 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1ek6 h LYS 338 CO -0.02 0.63 -0.12 1.96 -2.27 0.00 0.00 179.45 179.63 1ek6 h GLN 339 N 0.80 0.00 -2.14 1.90 4.20 -1.00 -3.35 115.11 115.52 1ek6 h GLN 339 Ca 0.21 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.35 1ek6 h GLN 339 Cb 0.04 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.43 1ek6 h GLN 339 CO -0.03 0.12 -0.99 0.09 -0.67 0.00 0.00 178.83 177.34 1ek6 n ASN 340 N -3.28 0.67 0.14 1.46 3.02 0.03 -4.98 115.26 112.32 1ek6 n ASN 340 Ca 0.00 -2.76 0.16 0.00 -0.03 0.00 0.00 54.58 51.95 1ek6 n ASN 340 Cb 0.36 -0.63 0.71 0.00 -0.61 0.00 0.00 39.78 39.61 1ek6 n ASN 340 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1ek6 h PRO 341 N 4.38 0.00 -0.34 3.52 0.13 -1.30 0.50 132.00 138.89 1ek6 h PRO 341 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1ek6 h PRO 341 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1ek6 h PRO 341 CO 0.51 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.71 1ek6 n SER 342 N -4.28 3.94 0.00 1.44 7.64 -1.26 -4.90 113.62 116.20 1ek6 n SER 342 Ca 0.04 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.14 1ek6 n SER 342 Cb 0.37 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 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 -0.08 0.61 0.22 0.23 0.00 0.16 -3.39 105.19 102.94 1ek6 n GLY 343 Ca 0.20 -0.85 0.08 0.00 0.00 0.00 0.00 46.02 45.45 1ek6 n GLY 343 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ek6 h PHE 344 N 0.00 0.00 0.00 1.61 0.04 -1.93 -3.45 116.94 113.20 1ek6 h PHE 344 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ek6 h PHE 344 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1ek6 h PHE 344 CO 0.00 0.27 0.00 0.41 -0.60 0.00 0.00 178.31 178.39 1ek6 n GLY 345 N -0.30 0.32 0.00 -1.45 0.00 -1.22 -5.06 105.19 97.48 1ek6 n GLY 345 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1ek6 n GLY 345 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73