#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ie0 s ARG 2 N 0.00 0.80 -0.15 2.12 0.52 -0.10 0.29 118.95 122.43 3ie0 s ARG 2 Ca 0.00 -1.15 0.00 0.00 -0.52 0.00 0.00 55.73 54.06 3ie0 s ARG 2 Cb 0.00 -0.42 0.03 0.00 0.52 0.00 0.00 34.95 35.08 3ie0 s ARG 2 CO 0.00 0.05 -0.10 -1.50 0.02 0.00 0.00 175.30 173.77 3ie0 s ILE 3 N -2.60 1.35 -0.29 1.52 1.10 0.22 -1.18 121.20 121.32 3ie0 s ILE 3 Ca 0.05 -0.61 -0.07 0.00 -0.51 0.00 0.00 60.65 59.51 3ie0 s ILE 3 Cb -0.02 -1.37 0.00 0.00 0.15 0.00 0.00 42.46 41.22 3ie0 s ILE 3 CO -0.01 0.32 0.09 -0.69 -2.11 0.00 0.00 174.94 172.53 3ie0 s VAL 4 N 1.56 4.05 0.39 4.00 1.01 0.15 0.08 120.40 131.63 3ie0 s VAL 4 Ca 0.03 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 3ie0 s VAL 4 Cb -0.14 -3.07 -0.09 0.00 0.00 0.00 0.00 36.38 33.09 3ie0 s VAL 4 CO -0.09 0.10 1.22 -2.84 0.00 0.00 0.00 175.10 173.50 3ie0 s PRO 5 N 1.52 4.09 -0.17 2.72 0.02 -1.26 -0.26 135.00 141.66 3ie0 s PRO 5 Ca 0.03 1.97 0.22 0.00 0.02 0.00 0.00 61.00 63.24 3ie0 s PRO 5 Cb -0.17 -2.77 0.45 0.00 0.02 0.00 0.00 34.50 32.03 3ie0 s PRO 5 CO 0.03 -0.33 1.17 1.19 -0.33 0.00 0.00 177.00 178.72 3ie0 n PHE 6 N 0.23 0.48 0.00 6.54 3.72 0.99 -1.23 117.46 128.18 3ie0 n PHE 6 Ca 0.03 -1.50 0.00 0.00 -0.05 0.00 0.00 57.45 55.93 3ie0 n PHE 6 Cb 0.45 0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 3ie0 n PHE 6 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ie0 n GLY 7 N -0.32 1.29 3.96 1.37 0.00 -1.13 -4.48 105.19 105.88 3ie0 n GLY 7 Ca 0.02 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3ie0 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie0 n ALA 8 N -0.93 0.00 -2.18 4.61 0.00 0.15 -4.34 120.51 117.82 3ie0 n ALA 8 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3ie0 n ALA 8 Cb 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 3ie0 n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ie0 s ALA 9 N -0.90 3.59 0.00 0.00 0.00 -1.26 -1.53 121.76 121.66 3ie0 s ALA 9 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3ie0 s ALA 9 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3ie0 s ALA 9 CO 0.00 -0.83 0.00 0.54 0.00 0.00 0.00 175.76 175.47 3ie0 n ARG 10 N 4.94 0.00 -4.09 0.00 3.00 -1.26 -4.85 116.66 114.40 3ie0 n ARG 10 Ca 0.13 0.00 -0.09 0.00 -0.01 0.00 0.00 57.85 57.88 3ie0 n ARG 10 Cb 0.43 -4.28 -0.10 0.00 0.00 0.00 0.00 32.46 28.51 3ie0 n ARG 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 3ie0 s GLU 11 N -0.58 0.61 0.00 5.56 -1.05 -1.00 -3.26 118.70 118.98 3ie0 s GLU 11 Ca 0.00 -1.10 0.24 0.00 -0.15 0.00 0.00 54.97 53.97 3ie0 s GLU 11 Cb 0.00 0.04 1.24 0.00 -0.44 0.00 0.00 34.13 34.97 3ie0 s GLU 11 CO 0.00 -0.06 1.81 1.33 0.95 0.00 0.00 175.26 179.29 3ie0 n VAL 12 N 0.47 0.22 -4.59 1.83 0.24 -1.23 -2.99 118.33 112.27 3ie0 n VAL 12 Ca -0.16 0.05 -0.27 0.00 -2.04 0.00 0.00 64.34 61.92 3ie0 n VAL 12 Cb 0.59 -0.65 -0.09 0.00 -1.47 0.00 0.00 33.84 32.22 3ie0 n VAL 12 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ie0 s THR 13 N -2.54 1.24 0.00 3.34 -4.23 -1.26 -4.70 115.64 107.49 3ie0 s THR 13 Ca 0.24 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 3ie0 s THR 13 Cb 0.16 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.44 3ie0 s THR 13 CO 0.37 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 3ie0 n GLY 14 N -0.97 1.21 0.65 3.99 0.00 -1.09 -0.68 105.19 108.31 3ie0 n GLY 14 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 3ie0 n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ie0 n SER 15 N 0.00 0.17 -3.59 1.61 7.64 -1.24 -3.98 113.62 114.22 3ie0 n SER 15 Ca 0.00 0.15 -0.02 0.00 1.01 0.00 0.00 58.87 60.01 3ie0 n SER 15 Cb 0.00 -0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 62.97 3ie0 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ie0 s ALA 16 N 1.05 -2.21 -0.13 -0.43 0.00 -1.26 0.26 121.76 119.03 3ie0 s ALA 16 Ca 0.23 2.26 -0.04 0.00 0.00 0.00 0.00 51.96 54.41 3ie0 s ALA 16 Cb -0.29 -1.72 0.06 0.00 0.00 0.00 0.00 23.12 21.16 3ie0 s ALA 16 CO 0.14 -0.61 0.13 -1.01 0.00 0.00 0.00 175.76 174.40 3ie0 s HIS 17 N 2.00 -0.03 -0.12 0.00 0.09 -0.74 -0.01 115.29 116.48 3ie0 s HIS 17 Ca -0.07 0.14 -0.26 0.00 -0.00 0.00 0.00 55.06 54.87 3ie0 s HIS 17 Cb -0.06 -0.47 -0.02 0.00 -0.00 0.00 0.00 32.58 32.02 3ie0 s HIS 17 CO -0.18 -0.41 0.85 -1.17 -0.00 0.00 0.00 174.74 173.83 3ie0 s LEU 18 N 2.22 4.24 -0.26 0.89 2.96 0.65 -0.58 118.68 128.80 3ie0 s LEU 18 Ca 0.04 1.29 -0.09 0.00 -0.22 0.00 0.00 54.13 55.14 3ie0 s LEU 18 Cb -0.14 -3.29 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 3ie0 s LEU 18 CO -0.08 -0.33 0.14 -0.22 -1.32 0.00 0.00 176.35 174.55 3ie0 s LEU 19 N 1.69 3.79 -0.32 -0.68 2.96 0.99 0.30 118.68 127.42 3ie0 s LEU 19 Ca 0.41 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 54.19 3ie0 s LEU 19 Cb -0.18 -2.04 0.04 0.00 0.50 0.00 0.00 46.19 44.51 3ie0 s LEU 19 CO 0.16 -0.04 0.07 -0.76 -1.32 0.00 0.00 176.35 174.46 3ie0 s LEU 20 N 1.65 4.07 -0.25 -0.68 1.43 -0.33 -0.91 118.68 123.67 3ie0 s LEU 20 Ca 0.07 -1.08 -0.33 0.00 -1.03 0.00 0.00 54.13 51.76 3ie0 s LEU 20 Cb -0.15 -1.82 0.17 0.00 0.03 0.00 0.00 46.19 44.41 3ie0 s LEU 20 CO 0.08 -0.28 1.30 0.00 0.23 0.00 0.00 176.35 177.68 3ie0 s ALA 21 N 1.38 -2.11 -0.91 4.21 0.00 -0.85 -0.92 121.76 122.56 3ie0 s ALA 21 Ca -0.02 1.81 0.00 0.00 0.00 0.00 0.00 51.96 53.75 3ie0 s ALA 21 Cb -0.19 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.02 3ie0 s ALA 21 CO 0.01 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.80 3ie0 n GLY 22 N 0.29 0.95 2.08 0.00 0.00 -1.26 -1.76 105.19 105.49 3ie0 n GLY 22 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 3ie0 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie0 n GLY 23 N -0.78 0.50 3.42 -0.02 0.00 -1.26 -2.47 105.19 104.57 3ie0 n GLY 23 Ca -0.09 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 3ie0 n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie0 s ARG 24 N -1.31 1.57 -0.16 1.61 1.81 -0.72 -5.00 118.95 116.75 3ie0 s ARG 24 Ca 0.00 -1.85 -0.01 0.00 -1.72 0.00 0.00 55.73 52.15 3ie0 s ARG 24 Cb 0.00 -0.79 0.04 0.00 -0.45 0.00 0.00 34.95 33.75 3ie0 s ARG 24 CO 0.00 -0.17 -0.05 1.03 -0.68 0.00 0.00 175.30 175.44 3ie0 s ARG 25 N -3.89 1.39 -0.13 3.54 0.52 -1.26 -2.00 118.95 117.12 3ie0 s ARG 25 Ca 0.35 -0.49 0.03 0.00 -0.52 0.00 0.00 55.73 55.10 3ie0 s ARG 25 Cb 0.08 -1.96 0.01 0.00 0.52 0.00 0.00 34.95 33.59 3ie0 s ARG 25 CO 0.14 -0.43 -0.22 0.08 0.02 0.00 0.00 175.30 174.89 3ie0 s VAL 26 N 1.65 2.13 -0.20 3.52 1.01 -0.08 0.43 120.40 128.86 3ie0 s VAL 26 Ca 0.01 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 3ie0 s VAL 26 Cb -0.15 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3ie0 s VAL 26 CO -0.08 0.55 0.44 -0.22 0.00 0.00 0.00 175.10 175.79 3ie0 s LEU 27 N 0.65 4.16 -0.52 3.92 0.20 0.38 -0.01 118.68 127.47 3ie0 s LEU 27 Ca -0.11 0.58 -0.17 0.00 0.69 0.00 0.00 54.13 55.11 3ie0 s LEU 27 Cb -0.16 -2.58 0.09 0.00 -0.43 0.00 0.00 46.19 43.10 3ie0 s LEU 27 CO 0.02 -0.10 0.54 -0.76 -0.29 0.00 0.00 176.35 175.76 3ie0 s LEU 28 N 1.37 5.50 0.18 -0.68 1.02 0.26 -0.14 118.68 126.18 3ie0 s LEU 28 Ca 0.21 -1.32 0.00 0.00 0.02 0.00 0.00 54.13 53.04 3ie0 s LEU 28 Cb -0.15 -2.29 0.00 0.00 0.02 0.00 0.00 46.19 43.78 3ie0 s LEU 28 CO 0.09 -0.85 0.00 0.47 0.02 0.00 0.00 176.35 176.07 3ie0 n ASP 29 N 5.71 -2.72 -2.70 2.29 8.00 0.17 -1.80 116.55 125.50 3ie0 n ASP 29 Ca -0.10 0.39 -0.07 0.00 0.71 0.00 0.00 54.79 55.71 3ie0 n ASP 29 Cb 0.43 -1.55 0.09 0.00 -0.02 0.00 0.00 41.12 40.07 3ie0 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ie0 s GLY 31 N -0.97 1.67 0.11 0.00 0.00 0.14 -0.68 107.32 107.59 3ie0 s GLY 31 Ca 0.20 -0.90 0.06 0.00 0.00 0.00 0.00 44.72 44.08 3ie0 s GLY 31 CO -0.08 -0.22 -0.04 -3.16 0.00 0.00 0.00 173.10 169.60 3ie0 s MET 32 N -5.63 2.37 0.44 2.90 0.23 -1.15 -3.82 119.30 114.65 3ie0 s MET 32 Ca 0.69 -0.94 -0.22 0.00 -1.03 0.00 0.00 55.69 54.18 3ie0 s MET 32 Cb -0.08 -2.43 -0.09 0.00 -1.53 0.00 0.00 34.83 30.70 3ie0 s MET 32 CO 0.53 0.52 1.04 -0.06 -2.03 0.00 0.00 175.02 175.02 3ie0 s PHE 33 N -1.33 3.14 0.13 3.16 0.08 -1.26 -2.66 117.98 119.23 3ie0 s PHE 33 Ca 0.24 1.61 -0.01 0.00 0.12 0.00 0.00 56.93 58.89 3ie0 s PHE 33 Cb -0.11 -3.09 0.01 0.00 -0.57 0.00 0.00 43.02 39.25 3ie0 s PHE 33 CO 0.17 -0.72 0.19 1.04 -0.10 0.00 0.00 175.22 175.80 3ie0 n GLN 34 N -0.51 0.27 0.00 0.44 6.02 -1.26 -4.32 117.38 118.02 3ie0 n GLN 34 Ca 0.07 -0.97 0.00 0.00 -0.01 0.00 0.00 57.00 56.09 3ie0 n GLN 34 Cb 0.51 0.96 0.00 0.00 1.02 0.00 0.00 30.24 32.73 3ie0 n GLN 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ie0 n GLY 35 N -0.20 1.76 1.48 1.08 0.00 -1.26 -3.44 105.19 104.61 3ie0 n GLY 35 Ca -0.00 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.20 3ie0 n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ie0 n LYS 36 N 0.00 1.23 0.00 1.61 5.02 -1.26 -4.77 118.16 119.99 3ie0 n LYS 36 Ca 0.00 -2.92 0.00 0.00 -2.02 0.00 0.00 58.31 53.37 3ie0 n LYS 36 Cb 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 3ie0 n LYS 36 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ie0 n GLU 37 N -0.34 0.00 0.00 1.97 -0.58 -1.22 -4.97 120.64 115.50 3ie0 n GLU 37 Ca 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 3ie0 n GLU 37 Cb 0.93 -0.36 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 3ie0 n GLU 37 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3ie0 n GLU 38 N 0.00 0.00 -0.37 3.49 -0.58 -1.26 0.73 120.64 122.65 3ie0 n GLU 38 Ca 0.00 0.00 0.28 0.00 -0.42 0.00 0.00 57.16 57.02 3ie0 n GLU 38 Cb 0.21 0.00 0.57 0.00 -0.57 0.00 0.00 31.44 31.64 3ie0 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ie0 h ALA 39 N 0.00 2.44 -0.05 0.62 0.00 -1.93 -1.15 119.26 119.19 3ie0 h ALA 39 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ie0 h ALA 39 Cb 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ie0 h ALA 39 CO 0.00 -0.94 0.11 0.00 0.00 0.00 0.00 179.25 178.43 3ie0 h ARG 40 N 0.26 0.00 0.00 0.00 3.08 -0.08 -0.43 114.38 117.21 3ie0 h ARG 40 Ca 0.68 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.73 3ie0 h ARG 40 Cb 1.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.99 3ie0 h ARG 40 CO -0.34 0.00 0.03 0.09 -1.07 0.00 0.00 179.97 178.68 3ie0 n ASN 41 N -3.38 0.00 -0.10 7.04 5.03 -0.44 -0.97 115.26 122.44 3ie0 n ASN 41 Ca -0.02 0.38 -0.15 0.00 0.87 0.00 0.00 54.58 55.67 3ie0 n ASN 41 Cb 0.20 -0.38 -0.14 0.00 -1.02 0.00 0.00 39.78 38.44 3ie0 n ASN 41 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3ie0 n HIS 42 N -1.38 0.17 -0.36 3.10 8.25 -0.17 -4.81 115.22 120.02 3ie0 n HIS 42 Ca 0.00 0.04 -0.28 0.00 -0.26 0.00 0.00 57.72 57.23 3ie0 n HIS 42 Cb 0.03 -1.03 0.25 0.00 1.12 0.00 0.00 29.99 30.37 3ie0 n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ie0 n ALA 43 N -3.03 -3.82 -2.04 -1.41 0.00 -0.14 -4.99 120.51 105.08 3ie0 n ALA 43 Ca -0.39 -1.59 -0.31 0.00 0.00 0.00 0.00 53.44 51.15 3ie0 n ALA 43 Cb 1.05 -1.51 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 3ie0 n ALA 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ie0 s PRO 44 N -4.50 3.80 0.00 0.00 0.04 -1.26 -5.03 135.00 128.05 3ie0 s PRO 44 Ca 0.60 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.30 3ie0 s PRO 44 Cb -0.14 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3ie0 s PRO 44 CO 0.54 -0.19 0.82 1.19 0.04 0.00 0.00 177.00 179.41 3ie0 n PHE 45 N -1.62 0.00 0.00 0.56 3.72 -1.26 -4.95 117.46 113.91 3ie0 n PHE 45 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3ie0 n PHE 45 Cb 0.54 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3ie0 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ie0 n GLY 46 N -0.76 -0.86 3.24 1.37 0.00 -1.26 -5.04 105.19 101.88 3ie0 n GLY 46 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3ie0 n GLY 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ie0 s PHE 47 N 0.00 0.03 -0.56 1.61 -0.71 -1.26 -5.09 117.98 112.00 3ie0 s PHE 47 Ca 0.00 -0.40 -0.27 0.00 -1.04 0.00 0.00 56.93 55.21 3ie0 s PHE 47 Cb 0.00 0.04 0.03 0.00 -1.21 0.00 0.00 43.02 41.88 3ie0 s PHE 47 CO 0.00 -0.58 1.12 0.34 -1.34 0.00 0.00 175.22 174.76 3ie0 s ASP 48 N -2.77 6.44 0.00 1.98 2.15 -1.26 -4.89 116.67 118.32 3ie0 s ASP 48 Ca 0.03 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.04 3ie0 s ASP 48 Cb 0.03 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 3ie0 s ASP 48 CO -0.11 -1.39 0.68 -0.81 -0.17 0.00 0.00 175.17 173.38 3ie0 n PRO 49 N 8.11 0.00 0.04 4.34 -0.04 -1.26 -1.39 135.00 144.80 3ie0 n PRO 49 Ca 0.07 0.20 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 3ie0 n PRO 49 Cb 0.49 -1.52 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 3ie0 n PRO 49 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ie0 n LYS 50 N -1.18 0.63 0.04 0.54 5.02 -1.26 -2.99 118.16 118.96 3ie0 n LYS 50 Ca 0.00 0.03 0.13 0.00 -2.02 0.00 0.00 58.31 56.45 3ie0 n LYS 50 Cb 0.02 -1.71 0.34 0.00 -0.02 0.00 0.00 35.03 33.65 3ie0 n LYS 50 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ie0 n GLU 51 N -2.59 0.15 -1.87 1.97 -0.58 -0.49 -4.87 120.64 112.36 3ie0 n GLU 51 Ca -0.05 0.07 -0.42 0.00 -0.42 0.00 0.00 57.16 56.34 3ie0 n GLU 51 Cb 0.64 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.86 3ie0 n GLU 51 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3ie0 s VAL 52 N -3.08 2.60 -0.21 2.62 1.01 -1.24 -4.69 120.40 117.41 3ie0 s VAL 52 Ca 0.10 0.33 0.18 0.00 0.00 0.00 0.00 61.98 62.59 3ie0 s VAL 52 Cb 0.15 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 33.37 3ie0 s VAL 52 CO 0.65 0.02 1.23 0.44 0.00 0.00 0.00 175.10 177.43 3ie0 h ASP 53 N 7.40 0.00 -4.48 3.32 3.32 -0.36 -3.46 116.42 122.15 3ie0 h ASP 53 Ca -0.43 0.00 0.25 0.00 0.02 0.00 0.00 57.03 56.87 3ie0 h ASP 53 Cb 1.20 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.58 3ie0 h ASP 53 CO 0.93 0.33 0.79 0.00 -1.72 0.00 0.00 179.24 179.57 3ie0 s ALA 54 N -3.08 -2.07 -0.02 3.45 0.00 -1.15 -4.59 121.76 114.30 3ie0 s ALA 54 Ca 0.02 1.43 0.04 0.00 0.00 0.00 0.00 51.96 53.45 3ie0 s ALA 54 Cb 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 3ie0 s ALA 54 CO 0.76 -0.67 -0.15 0.08 0.00 0.00 0.00 175.76 175.78 3ie0 s VAL 55 N -2.47 1.21 -0.10 0.00 1.01 -1.12 -0.47 120.40 118.46 3ie0 s VAL 55 Ca 0.10 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.48 3ie0 s VAL 55 Cb -0.00 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.36 3ie0 s VAL 55 CO -0.05 0.35 -0.20 -0.76 0.00 0.00 0.00 175.10 174.44 3ie0 s LEU 56 N -0.19 1.96 -0.19 3.92 1.02 0.80 -0.36 118.68 125.64 3ie0 s LEU 56 Ca 0.02 -0.49 -0.04 0.00 0.02 0.00 0.00 54.13 53.64 3ie0 s LEU 56 Cb -0.08 -1.26 -0.02 0.00 0.02 0.00 0.00 46.19 44.86 3ie0 s LEU 56 CO 0.00 0.11 -0.04 -0.76 0.02 0.00 0.00 176.35 175.68 3ie0 s LEU 57 N 0.51 3.06 0.12 1.79 1.02 -0.05 0.42 118.68 125.55 3ie0 s LEU 57 Ca -0.16 -0.26 -0.04 0.00 0.02 0.00 0.00 54.13 53.69 3ie0 s LEU 57 Cb -0.17 -1.76 -0.13 0.00 0.02 0.00 0.00 46.19 44.16 3ie0 s LEU 57 CO 0.06 0.08 1.28 0.71 0.02 0.00 0.00 176.35 178.49 3ie0 h THR 58 N 5.44 1.43 -2.50 5.49 1.35 -1.88 -3.41 112.91 118.83 3ie0 h THR 58 Ca -0.35 -2.59 0.11 0.00 -0.55 0.00 0.00 66.41 63.03 3ie0 h THR 58 Cb 1.18 2.54 -0.11 0.00 -1.73 0.00 0.00 68.15 70.03 3ie0 h THR 58 CO 0.60 0.77 0.42 -1.38 -0.25 0.00 0.00 175.52 175.68 3ie0 s HIS 59 N -3.13 -0.27 -2.00 4.73 -3.43 -1.26 -0.87 115.29 109.05 3ie0 s HIS 59 Ca -0.05 0.03 0.19 0.00 -0.80 0.00 0.00 55.06 54.43 3ie0 s HIS 59 Cb 0.09 0.60 1.16 0.00 -1.43 0.00 0.00 32.58 33.00 3ie0 s HIS 59 CO 0.87 -0.78 1.63 0.00 -2.00 0.00 0.00 174.74 174.46 3ie0 n ALA 60 N -0.38 2.43 -1.79 -1.38 0.00 -1.26 -4.53 120.51 113.61 3ie0 n ALA 60 Ca -0.08 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 3ie0 n ALA 60 Cb 0.62 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 3ie0 n ALA 60 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3ie0 s HIS 61 N -2.00 2.89 0.51 0.00 3.76 -1.26 -4.67 115.29 114.52 3ie0 s HIS 61 Ca 0.29 1.26 0.34 0.00 -0.15 0.00 0.00 55.06 56.80 3ie0 s HIS 61 Cb 0.13 -3.82 1.47 0.00 1.11 0.00 0.00 32.58 31.48 3ie0 s HIS 61 CO 0.23 -2.38 1.77 1.25 -0.85 0.00 0.00 174.74 174.76 3ie0 h LEU 62 N 3.53 0.10 -1.82 0.89 5.85 -1.94 0.89 115.31 122.81 3ie0 h LEU 62 Ca -0.49 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 3ie0 h LEU 62 Cb 1.23 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 3ie0 h LEU 62 CO 0.67 0.01 0.00 -0.90 -0.34 0.00 0.00 178.44 177.88 3ie0 n ASP 63 N -4.28 2.51 0.00 1.25 5.75 -1.26 0.67 116.55 121.19 3ie0 n ASP 63 Ca 0.27 -2.30 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 3ie0 n ASP 63 Cb 1.23 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 3ie0 n ASP 63 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3ie0 n HIS 64 N 0.19 0.00 0.00 2.11 8.25 0.24 -3.59 115.22 122.43 3ie0 n HIS 64 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3ie0 n HIS 64 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 3ie0 n HIS 64 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3ie0 n VAL 65 N -0.01 0.00 -0.18 1.59 0.31 -0.81 -0.64 118.33 118.59 3ie0 n VAL 65 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 3ie0 n VAL 65 Cb 0.00 -0.92 0.21 0.00 -0.91 0.00 0.00 33.84 32.22 3ie0 n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ie0 n GLY 66 N 2.89 -0.61 0.70 2.92 0.00 0.21 0.76 105.19 112.06 3ie0 n GLY 66 Ca 0.00 0.49 0.13 0.00 0.00 0.00 0.00 46.02 46.64 3ie0 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie0 n ARG 67 N -4.48 1.97 -0.00 1.61 1.74 0.15 -4.46 116.66 113.18 3ie0 n ARG 67 Ca 0.15 -1.41 -0.10 0.00 -0.77 0.00 0.00 57.85 55.72 3ie0 n ARG 67 Cb 0.51 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.45 3ie0 n ARG 67 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3ie0 h LEU 68 N 3.38 -0.92 -1.16 0.55 5.85 0.68 -1.45 115.31 122.23 3ie0 h LEU 68 Ca 0.00 0.14 0.12 0.00 0.84 0.00 0.00 57.88 58.98 3ie0 h LEU 68 Cb 0.72 0.40 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 3ie0 h LEU 68 CO 0.00 -0.34 0.59 1.55 -0.34 0.00 0.00 178.44 179.91 3ie0 h PRO 69 N -0.36 0.84 0.00 5.25 0.13 -1.78 0.12 132.00 136.20 3ie0 h PRO 69 Ca 0.10 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3ie0 h PRO 69 Cb 0.52 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.46 3ie0 h PRO 69 CO -0.35 0.56 -0.00 -0.22 -0.23 0.00 0.00 178.00 177.76 3ie0 h LYS 70 N 0.87 0.00 -0.03 0.86 3.64 -1.55 -2.18 116.57 118.17 3ie0 h LYS 70 Ca 0.45 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.78 3ie0 h LYS 70 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3ie0 h LYS 70 CO -0.21 0.00 -0.17 1.25 -2.27 0.00 0.00 179.45 178.05 3ie0 h LEU 71 N 0.00 0.21 -1.13 5.20 5.85 -0.43 -2.80 115.31 122.21 3ie0 h LEU 71 Ca -0.00 -0.66 -0.09 0.00 0.84 0.00 0.00 57.88 57.97 3ie0 h LEU 71 Cb 0.02 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3ie0 h LEU 71 CO 0.00 0.84 -0.43 -0.26 -0.34 0.00 0.00 178.44 178.25 3ie0 h PHE 72 N -0.41 0.00 0.00 1.25 -1.00 -1.52 -1.96 116.94 113.30 3ie0 h PHE 72 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 3ie0 h PHE 72 Cb 0.83 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.39 3ie0 h PHE 72 CO 0.15 0.43 0.00 -0.09 -1.61 0.00 0.00 178.31 177.18 3ie0 h ARG 73 N 0.00 0.00 -0.25 1.51 2.43 -1.38 -2.56 114.38 114.13 3ie0 h ARG 73 Ca -0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3ie0 h ARG 73 Cb 0.78 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 3ie0 h ARG 73 CO 0.06 0.00 -0.03 0.39 -1.51 0.00 0.00 179.97 178.87 3ie0 n GLU 74 N -2.91 2.30 0.00 0.20 1.02 -0.78 -4.98 120.64 115.49 3ie0 n GLU 74 Ca -0.00 -2.93 0.00 0.00 -0.02 0.00 0.00 57.16 54.21 3ie0 n GLU 74 Cb 0.21 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 3ie0 n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ie0 n GLY 75 N -0.86 3.42 3.58 0.62 0.00 -0.97 -4.60 105.19 106.38 3ie0 n GLY 75 Ca 0.25 -1.03 -0.50 0.00 0.00 0.00 0.00 46.02 44.74 3ie0 n GLY 75 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ie0 n TYR 76 N 0.00 1.32 -2.73 1.61 4.19 -0.95 -4.79 117.16 115.81 3ie0 n TYR 76 Ca 0.00 0.68 -0.04 0.00 3.31 0.00 0.00 57.90 61.85 3ie0 n TYR 76 Cb 0.00 -2.29 0.08 0.00 0.49 0.00 0.00 39.34 37.62 3ie0 n TYR 76 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3ie0 n ARG 77 N 1.92 1.42 -0.60 2.98 5.12 -1.26 -4.10 116.66 122.13 3ie0 n ARG 77 Ca 0.16 -2.63 0.00 0.00 -1.93 0.00 0.00 57.85 53.45 3ie0 n ARG 77 Cb 0.23 -0.78 0.00 0.00 -1.16 0.00 0.00 32.46 30.75 3ie0 n ARG 77 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ie0 n GLY 78 N -0.69 4.52 3.88 -0.13 0.00 -1.26 -5.14 105.19 106.37 3ie0 n GLY 78 Ca -0.00 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.63 3ie0 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ie0 s PRO 79 N 0.38 3.50 -0.19 1.61 0.04 -1.26 -4.80 135.00 134.27 3ie0 s PRO 79 Ca 0.00 0.57 -0.04 0.00 0.04 0.00 0.00 61.00 61.57 3ie0 s PRO 79 Cb 0.00 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.45 3ie0 s PRO 79 CO 0.00 -0.53 0.06 0.08 0.04 0.00 0.00 177.00 176.66 3ie0 s VAL 80 N -3.08 0.26 -0.14 -0.36 1.01 -0.67 -2.81 120.40 114.61 3ie0 s VAL 80 Ca 0.53 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 3ie0 s VAL 80 Cb -0.11 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3ie0 s VAL 80 CO 0.51 -0.28 0.40 -0.31 0.00 0.00 0.00 175.10 175.42 3ie0 s TYR 81 N 1.97 3.49 0.15 5.22 1.51 0.51 0.73 117.35 130.93 3ie0 s TYR 81 Ca 0.01 0.76 -0.20 0.00 -1.01 0.00 0.00 57.07 56.64 3ie0 s TYR 81 Cb -0.17 -2.46 0.05 0.00 -0.11 0.00 0.00 41.96 39.28 3ie0 s TYR 81 CO -0.11 0.20 0.52 0.00 -1.11 0.00 0.00 175.55 175.05 3ie0 s ALA 82 N 0.55 -1.29 0.77 3.71 0.00 -0.82 -0.87 121.76 123.81 3ie0 s ALA 82 Ca 0.22 0.22 -0.14 0.00 0.00 0.00 0.00 51.96 52.26 3ie0 s ALA 82 Cb -0.14 0.81 0.06 0.00 0.00 0.00 0.00 23.12 23.85 3ie0 s ALA 82 CO 0.07 -0.73 1.19 0.99 0.00 0.00 0.00 175.76 177.29 3ie0 s THR 83 N -3.78 2.31 0.17 0.00 2.01 -1.18 -0.66 115.64 114.51 3ie0 s THR 83 Ca 0.02 0.14 -0.12 0.00 0.31 0.00 0.00 61.69 62.04 3ie0 s THR 83 Cb -0.00 -2.61 0.06 0.00 0.01 0.00 0.00 72.50 69.96 3ie0 s THR 83 CO -0.12 -0.09 1.72 -0.09 -0.69 0.00 0.00 174.62 175.35 3ie0 h ARG 84 N -0.62 0.85 -0.92 4.92 9.65 -1.93 -0.10 114.38 126.23 3ie0 h ARG 84 Ca -0.47 -0.16 0.03 0.00 -1.10 0.00 0.00 59.98 58.29 3ie0 h ARG 84 Cb 1.29 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 29.68 3ie0 h ARG 84 CO 0.48 0.74 0.60 0.00 2.80 0.00 0.00 179.97 184.59 3ie0 h ALA 85 N 1.07 1.40 -0.45 2.80 0.00 -1.91 -1.04 119.26 121.14 3ie0 h ALA 85 Ca 0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3ie0 h ALA 85 Cb 0.21 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3ie0 h ALA 85 CO -0.01 0.52 0.05 1.15 0.00 0.00 0.00 179.25 180.96 3ie0 h THR 86 N 1.17 1.25 -0.58 0.00 2.02 -1.53 -1.91 112.91 113.33 3ie0 h THR 86 Ca 0.36 -0.93 0.02 0.00 0.77 0.00 0.00 66.41 66.63 3ie0 h THR 86 Cb -0.02 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 3ie0 h THR 86 CO -0.10 0.33 0.36 0.58 0.37 0.00 0.00 175.52 177.05 3ie0 h VAL 87 N 0.61 1.07 -0.25 3.16 2.07 -0.38 0.23 116.25 122.76 3ie0 h VAL 87 Ca 0.13 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 3ie0 h VAL 87 Cb 0.41 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3ie0 h VAL 87 CO 0.01 0.13 -0.27 -0.07 0.02 0.00 0.00 177.57 177.39 3ie0 h LEU 88 N 0.71 0.49 0.02 2.57 3.38 -1.05 -3.12 115.31 118.30 3ie0 h LEU 88 Ca 0.23 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 3ie0 h LEU 88 Cb 0.01 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.64 3ie0 h LEU 88 CO -0.10 0.75 -0.65 -0.07 0.09 0.00 0.00 178.44 178.46 3ie0 h LEU 89 N 0.43 0.55 -1.33 1.67 3.38 -0.94 -3.31 115.31 115.76 3ie0 h LEU 89 Ca 0.06 -0.78 0.27 0.00 0.09 0.00 0.00 57.88 57.52 3ie0 h LEU 89 Cb 0.69 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.17 3ie0 h LEU 89 CO 0.05 1.26 0.67 -0.03 0.09 0.00 0.00 178.44 180.48 3ie0 h MET 90 N -0.11 0.38 -0.22 1.13 4.05 -0.52 0.13 114.93 119.78 3ie0 h MET 90 Ca -0.09 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.26 3ie0 h MET 90 Cb 1.37 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 32.08 3ie0 h MET 90 CO 0.13 0.25 -0.07 1.49 0.23 0.00 0.00 176.91 178.94 3ie0 h GLU 91 N 0.39 0.43 0.83 0.39 4.81 -1.62 0.46 114.58 120.27 3ie0 h GLU 91 Ca 0.61 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.63 3ie0 h GLU 91 Cb 1.54 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.90 3ie0 h GLU 91 CO -0.32 0.69 -0.47 0.82 -0.73 0.00 0.00 179.01 179.00 3ie0 h ILE 92 N 0.15 0.00 -0.51 2.32 2.04 -0.95 -1.28 117.51 119.29 3ie0 h ILE 92 Ca 0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.02 3ie0 h ILE 92 Cb 0.54 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.52 3ie0 h ILE 92 CO 0.03 0.00 -0.15 0.58 0.00 0.00 0.00 178.15 178.61 3ie0 h VAL 93 N -1.20 0.45 0.00 1.67 2.07 -1.00 -1.80 116.25 116.44 3ie0 h VAL 93 Ca -0.11 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 3ie0 h VAL 93 Cb 0.95 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3ie0 h VAL 93 CO 0.14 0.00 -0.45 0.25 0.02 0.00 0.00 177.57 177.53 3ie0 h LEU 94 N -0.02 0.00 0.02 2.57 5.85 -0.05 -2.87 115.31 120.81 3ie0 h LEU 94 Ca 0.25 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 3ie0 h LEU 94 Cb 0.40 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.43 3ie0 h LEU 94 CO -0.54 0.45 -0.26 -0.33 -0.34 0.00 0.00 178.44 177.42 3ie0 h GLU 95 N 0.00 0.14 -0.90 1.25 5.08 -0.75 -3.16 114.58 116.25 3ie0 h GLU 95 Ca -0.00 -0.18 0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3ie0 h GLU 95 Cb 0.81 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.04 3ie0 h GLU 95 CO 0.06 0.97 0.58 0.22 -1.00 0.00 0.00 179.01 179.84 3ie0 h ASP 96 N -0.60 0.75 -0.66 1.42 1.82 -1.35 0.99 116.42 118.79 3ie0 h ASP 96 Ca -0.04 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 3ie0 h ASP 96 Cb 1.08 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.93 3ie0 h ASP 96 CO 0.05 0.41 0.41 0.00 -1.61 0.00 0.00 179.24 178.50 3ie0 h ALA 97 N 1.57 0.84 -0.99 -0.78 0.00 -1.58 0.27 119.26 118.60 3ie0 h ALA 97 Ca 0.43 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.31 3ie0 h ALA 97 Cb 0.54 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3ie0 h ALA 97 CO -0.20 0.30 0.65 1.25 0.00 0.00 0.00 179.25 181.25 3ie0 h LEU 98 N 0.89 1.08 -0.56 0.00 6.46 -0.81 -1.81 115.31 120.56 3ie0 h LEU 98 Ca 0.24 -0.01 -0.15 0.00 -0.12 0.00 0.00 57.88 57.84 3ie0 h LEU 98 Cb -0.04 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.62 3ie0 h LEU 98 CO -0.05 0.73 -0.72 0.50 -0.62 0.00 0.00 178.44 178.29 3ie0 h LYS 99 N 1.25 0.03 -1.60 1.25 3.64 -0.33 -3.32 116.57 117.49 3ie0 h LYS 99 Ca 0.40 -0.02 -0.62 0.00 -1.27 0.00 0.00 60.65 59.13 3ie0 h LYS 99 Cb 0.01 0.01 -0.39 0.00 -0.41 0.00 0.00 32.23 31.44 3ie0 h LYS 99 CO -0.13 0.73 -0.39 0.28 -2.27 0.00 0.00 179.45 177.67 3ie0 n VAL 100 N -3.70 2.61 -3.75 2.00 0.31 0.87 -4.94 118.33 111.73 3ie0 n VAL 100 Ca -0.01 -4.80 -0.28 0.00 -0.01 0.00 0.00 64.34 59.23 3ie0 n VAL 100 Cb 0.70 -1.26 -0.16 0.00 -0.91 0.00 0.00 33.84 32.21 3ie0 n VAL 100 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3ie0 s MET 101 N -3.64 0.76 0.06 5.55 0.00 -0.78 -4.88 119.30 116.38 3ie0 s MET 101 Ca 0.49 -0.63 -0.36 0.00 0.00 0.00 0.00 55.69 55.18 3ie0 s MET 101 Cb 0.41 -2.11 -0.20 0.00 0.00 0.00 0.00 34.83 32.92 3ie0 s MET 101 CO -0.23 -0.72 1.59 -0.44 0.00 0.00 0.00 175.02 175.22 3ie0 h ASP 102 N 8.18 -1.01 -3.84 1.11 3.32 -1.92 -3.34 116.42 118.92 3ie0 h ASP 102 Ca -0.16 0.03 -0.72 0.00 0.02 0.00 0.00 57.03 56.21 3ie0 h ASP 102 Cb 1.09 0.26 -0.33 0.00 0.22 0.00 0.00 39.33 40.57 3ie0 h ASP 102 CO 0.38 -0.72 -0.16 -1.61 -1.72 0.00 0.00 179.24 175.41 3ie0 s GLU 103 N -6.02 3.05 0.39 3.56 0.41 -1.26 -5.07 118.70 113.76 3ie0 s GLU 103 Ca -0.19 -2.79 -0.24 0.00 -0.41 0.00 0.00 54.97 51.34 3ie0 s GLU 103 Cb 0.03 -3.96 -0.09 0.00 -1.78 0.00 0.00 34.13 28.32 3ie0 s GLU 103 CO 0.61 -1.23 1.05 -1.25 -0.49 0.00 0.00 175.26 173.95 3ie0 s PRO 104 N -0.48 4.19 0.00 0.39 0.04 -1.26 -4.95 135.00 132.92 3ie0 s PRO 104 Ca 0.21 1.52 0.20 0.00 0.04 0.00 0.00 61.00 62.97 3ie0 s PRO 104 Cb -0.14 -2.57 0.31 0.00 0.04 0.00 0.00 34.50 32.14 3ie0 s PRO 104 CO -0.07 -0.12 1.26 1.97 0.04 0.00 0.00 177.00 180.07 3ie0 n PHE 105 N -0.02 0.32 -3.61 0.56 1.16 -1.26 -4.96 117.46 109.64 3ie0 n PHE 105 Ca 0.05 -0.19 -0.14 0.00 -1.87 0.00 0.00 57.45 55.30 3ie0 n PHE 105 Cb 0.49 -0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.30 3ie0 n PHE 105 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 3ie0 s PHE 106 N -1.42 -0.37 0.46 2.97 -0.71 -1.26 -4.79 117.98 112.86 3ie0 s PHE 106 Ca 0.30 0.41 0.07 0.00 -1.04 0.00 0.00 56.93 56.67 3ie0 s PHE 106 Cb 0.19 0.29 -0.00 0.00 -1.21 0.00 0.00 43.02 42.28 3ie0 s PHE 106 CO 0.26 -0.60 0.42 0.20 -1.34 0.00 0.00 175.22 174.16 3ie0 s GLY 107 N -1.91 2.16 0.25 1.99 0.00 -1.26 -5.00 107.32 103.55 3ie0 s GLY 107 Ca -0.06 -1.78 0.18 0.00 0.00 0.00 0.00 44.72 43.06 3ie0 s GLY 107 CO -0.01 -1.75 1.56 -1.55 0.00 0.00 0.00 173.10 171.35 3ie0 n PRO 108 N -1.65 0.12 0.12 2.90 -0.04 -1.26 -1.26 135.00 133.94 3ie0 n PRO 108 Ca 0.03 0.56 -0.03 0.00 -0.04 0.00 0.00 63.50 64.02 3ie0 n PRO 108 Cb 0.62 -1.85 0.14 0.00 -0.04 0.00 0.00 33.50 32.37 3ie0 n PRO 108 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3ie0 h GLU 109 N 0.00 0.07 0.10 0.54 3.07 -1.98 -2.73 114.58 113.64 3ie0 h GLU 109 Ca 0.00 -0.05 -0.23 0.00 -0.50 0.00 0.00 59.36 58.58 3ie0 h GLU 109 Cb 0.09 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3ie0 h GLU 109 CO 0.00 0.68 -1.17 -0.44 -1.40 0.00 0.00 179.01 176.68 3ie0 h ASP 110 N 0.05 0.32 -0.16 1.42 3.32 -1.52 -1.08 116.42 118.78 3ie0 h ASP 110 Ca -0.01 -0.84 0.05 0.00 0.02 0.00 0.00 57.03 56.24 3ie0 h ASP 110 Cb 1.13 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 3ie0 h ASP 110 CO 0.09 1.51 0.27 0.58 -1.72 0.00 0.00 179.24 179.97 3ie0 h VAL 111 N -0.46 0.26 0.10 -1.35 2.07 -1.54 0.47 116.25 115.79 3ie0 h VAL 111 Ca -0.26 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 66.92 3ie0 h VAL 111 Cb 1.62 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3ie0 h VAL 111 CO 0.04 0.00 -1.92 -0.08 0.02 0.00 0.00 177.57 175.63 3ie0 h GLU 112 N 0.00 0.21 0.83 1.57 4.81 -1.52 -3.24 114.58 117.24 3ie0 h GLU 112 Ca 0.08 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 3ie0 h GLU 112 Cb 0.62 0.14 0.01 0.00 0.63 0.00 0.00 28.75 30.14 3ie0 h GLU 112 CO -0.00 1.06 -0.42 1.49 -0.73 0.00 0.00 179.01 180.41 3ie0 h GLU 113 N 0.06 -1.10 -0.09 1.92 4.57 0.11 -2.46 114.58 117.58 3ie0 h GLU 113 Ca -0.39 0.08 0.02 0.00 -1.18 0.00 0.00 59.36 57.88 3ie0 h GLU 113 Cb 2.03 0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 30.84 3ie0 h GLU 113 CO 0.09 -0.73 -0.28 0.00 -1.18 0.00 0.00 179.01 176.90 3ie0 h ALA 114 N -1.42 -0.65 -1.50 2.92 0.00 -0.58 -1.30 119.26 116.73 3ie0 h ALA 114 Ca -0.11 -0.03 0.44 0.00 0.00 0.00 0.00 54.91 55.21 3ie0 h ALA 114 Cb 0.88 0.82 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 3ie0 h ALA 114 CO 0.17 -0.76 1.05 -0.07 0.00 0.00 0.00 179.25 179.64 3ie0 h LEU 115 N -0.29 0.09 -1.10 0.00 3.38 -1.60 1.08 115.31 116.87 3ie0 h LEU 115 Ca 0.02 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3ie0 h LEU 115 Cb 0.35 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ie0 h LEU 115 CO -0.24 -0.03 -0.14 1.23 0.09 0.00 0.00 178.44 179.35 3ie0 h GLY 116 N 0.05 0.00 -0.34 0.83 0.00 -0.74 -3.05 103.07 99.82 3ie0 h GLY 116 Ca 0.76 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.09 3ie0 h GLY 116 CO -0.12 0.00 -0.37 1.42 0.00 0.00 0.00 176.54 177.46 3ie0 n HIS 117 N -3.26 0.00 -1.84 5.60 8.25 0.37 -4.96 115.22 119.38 3ie0 n HIS 117 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 3ie0 n HIS 117 Cb 0.40 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.43 3ie0 n HIS 117 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ie0 s LEU 118 N -2.50 4.36 -0.03 2.41 1.43 -1.11 -1.67 118.68 121.57 3ie0 s LEU 118 Ca 0.21 2.86 0.02 0.00 -1.03 0.00 0.00 54.13 56.19 3ie0 s LEU 118 Cb 0.19 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.79 3ie0 s LEU 118 CO 0.55 -0.86 -0.08 -0.13 0.23 0.00 0.00 176.35 176.07 3ie0 s ARG 119 N -0.30 0.90 0.37 1.70 0.52 0.22 -4.86 118.95 117.51 3ie0 s ARG 119 Ca 0.63 -0.25 -0.26 0.00 -0.52 0.00 0.00 55.73 55.33 3ie0 s ARG 119 Cb -0.46 -0.85 -0.09 0.00 0.52 0.00 0.00 34.95 34.07 3ie0 s ARG 119 CO 0.45 0.06 1.20 -1.25 0.02 0.00 0.00 175.30 175.78 3ie0 s PRO 120 N 0.35 4.17 -0.16 3.54 0.04 -1.26 -1.95 135.00 139.73 3ie0 s PRO 120 Ca -0.05 1.93 -0.04 0.00 0.04 0.00 0.00 61.00 62.87 3ie0 s PRO 120 Cb -0.10 -2.82 0.08 0.00 0.04 0.00 0.00 34.50 31.71 3ie0 s PRO 120 CO 0.00 -0.24 0.27 -1.17 0.04 0.00 0.00 177.00 175.90 3ie0 s LEU 121 N -2.23 -0.29 0.54 -3.56 2.96 0.17 -4.79 118.68 111.47 3ie0 s LEU 121 Ca 0.54 0.34 0.06 0.00 -0.22 0.00 0.00 54.13 54.85 3ie0 s LEU 121 Cb -0.33 0.67 0.06 0.00 0.50 0.00 0.00 46.19 47.09 3ie0 s LEU 121 CO 0.42 -0.27 0.75 -1.61 -1.32 0.00 0.00 176.35 174.32 3ie0 s GLU 122 N 2.41 2.41 0.32 1.98 0.41 -1.26 -3.08 118.70 121.89 3ie0 s GLU 122 Ca 0.04 -1.31 -0.29 0.00 -0.41 0.00 0.00 54.97 53.00 3ie0 s GLU 122 Cb -0.13 -2.61 -0.11 0.00 -1.78 0.00 0.00 34.13 29.50 3ie0 s GLU 122 CO -0.10 -0.74 1.48 0.71 -0.49 0.00 0.00 175.26 176.12 3ie0 s TYR 123 N -2.65 2.78 0.00 1.61 2.02 -1.26 -2.35 117.35 117.50 3ie0 s TYR 123 Ca 0.60 1.06 0.00 0.00 -0.37 0.00 0.00 57.07 58.36 3ie0 s TYR 123 Cb -0.08 -3.95 0.00 0.00 -0.40 0.00 0.00 41.96 37.53 3ie0 s TYR 123 CO 0.38 -2.95 0.00 0.41 -1.57 0.00 0.00 175.55 171.82 3ie0 n GLY 124 N 1.34 1.60 3.79 0.71 0.00 -0.99 -4.96 105.19 106.67 3ie0 n GLY 124 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3ie0 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie0 s GLU 125 N -0.06 4.24 -0.22 1.61 2.02 -0.99 -4.98 118.70 120.32 3ie0 s GLU 125 Ca 0.00 0.70 -0.09 0.00 0.02 0.00 0.00 54.97 55.60 3ie0 s GLU 125 Cb 0.00 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 3ie0 s GLU 125 CO 0.00 0.49 0.12 -1.58 0.02 0.00 0.00 175.26 174.32 3ie0 s TRP 126 N -0.60 3.30 -0.03 1.61 0.52 -1.26 -4.23 118.94 118.25 3ie0 s TRP 126 Ca 0.29 0.16 -0.06 0.00 0.02 0.00 0.00 56.10 56.52 3ie0 s TRP 126 Cb -0.19 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.90 3ie0 s TRP 126 CO 0.17 0.11 0.22 -1.17 0.02 0.00 0.00 176.95 176.30 3ie0 s LEU 127 N 0.75 4.38 -0.12 2.99 2.96 0.11 -4.91 118.68 124.85 3ie0 s LEU 127 Ca 0.06 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.49 3ie0 s LEU 127 Cb -0.13 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.08 3ie0 s LEU 127 CO 0.02 0.30 -0.21 -0.13 -1.32 0.00 0.00 176.35 175.01 3ie0 s ARG 128 N -1.58 2.79 -0.19 1.98 0.52 -1.26 -0.73 118.95 120.48 3ie0 s ARG 128 Ca 0.24 -0.78 -0.04 0.00 -0.52 0.00 0.00 55.73 54.63 3ie0 s ARG 128 Cb -0.13 -2.23 0.06 0.00 0.52 0.00 0.00 34.95 33.17 3ie0 s ARG 128 CO 0.13 0.03 0.07 -0.51 0.02 0.00 0.00 175.30 175.04 3ie0 s LEU 129 N 0.73 0.66 0.00 2.53 1.43 -0.70 -5.02 118.68 118.31 3ie0 s LEU 129 Ca -0.10 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 3ie0 s LEU 129 Cb -0.16 -0.37 0.00 0.00 0.03 0.00 0.00 46.19 45.69 3ie0 s LEU 129 CO 0.01 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.86 3ie0 n GLY 130 N 5.19 3.73 1.49 -3.19 0.00 -1.26 -0.69 105.19 110.46 3ie0 n GLY 130 Ca -0.08 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.01 3ie0 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie0 n ALA 131 N 12.20 2.80 -2.89 4.61 0.00 -1.03 -4.95 120.51 131.25 3ie0 n ALA 131 Ca 0.00 -1.49 -0.33 0.00 0.00 0.00 0.00 53.44 51.62 3ie0 n ALA 131 Cb 0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 3ie0 n ALA 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ie0 s LEU 132 N -1.52 4.37 -0.06 0.00 2.96 0.14 -4.42 118.68 120.15 3ie0 s LEU 132 Ca 0.50 0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 3ie0 s LEU 132 Cb 0.30 -2.62 0.01 0.00 0.50 0.00 0.00 46.19 44.37 3ie0 s LEU 132 CO 0.28 0.26 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.99 3ie0 s SER 133 N -1.92 1.90 0.11 3.68 0.01 0.78 -1.72 113.70 116.54 3ie0 s SER 133 Ca 0.27 -0.32 0.06 0.00 1.31 0.00 0.00 55.95 57.28 3ie0 s SER 133 Cb -0.13 -0.80 -0.04 0.00 0.21 0.00 0.00 66.02 65.27 3ie0 s SER 133 CO 0.18 0.06 -0.16 -0.76 0.41 0.00 0.00 173.24 172.98 3ie0 s LEU 134 N 0.51 2.36 -0.13 2.44 1.43 0.09 0.32 118.68 125.70 3ie0 s LEU 134 Ca -0.12 -0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 51.93 3ie0 s LEU 134 Cb -0.15 -0.64 0.08 0.00 0.03 0.00 0.00 46.19 45.52 3ie0 s LEU 134 CO 0.04 -0.08 0.74 0.00 0.23 0.00 0.00 176.35 177.28 3ie0 s ALA 135 N -1.75 -1.80 0.33 4.21 0.00 -0.69 0.09 121.76 122.15 3ie0 s ALA 135 Ca 0.07 1.55 -0.08 0.00 0.00 0.00 0.00 51.96 53.49 3ie0 s ALA 135 Cb -0.07 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.55 3ie0 s ALA 135 CO 0.03 -0.35 0.65 -0.06 0.00 0.00 0.00 175.76 176.04 3ie0 s PHE 136 N -0.73 3.46 0.07 0.00 0.08 -1.26 -0.94 117.98 118.65 3ie0 s PHE 136 Ca -0.07 0.87 0.04 0.00 0.12 0.00 0.00 56.93 57.89 3ie0 s PHE 136 Cb -0.01 -2.29 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 3ie0 s PHE 136 CO 0.06 0.07 -0.10 0.20 -0.10 0.00 0.00 175.22 175.35 3ie0 s GLY 137 N -3.00 0.74 -0.10 4.36 0.00 -0.71 -2.35 107.32 106.26 3ie0 s GLY 137 Ca 0.48 -1.01 -0.29 0.00 0.00 0.00 0.00 44.72 43.90 3ie0 s GLY 137 CO 0.28 -1.07 2.07 1.62 0.00 0.00 0.00 173.10 176.01 3ie0 s GLN 138 N -2.17 3.64 0.02 2.90 2.00 -1.26 -1.41 119.66 123.39 3ie0 s GLN 138 Ca -0.01 2.28 0.21 0.00 -2.00 0.00 0.00 55.36 55.84 3ie0 s GLN 138 Cb -0.07 -4.26 -0.22 0.00 0.80 0.00 0.00 33.01 29.27 3ie0 s GLN 138 CO 0.01 -1.53 0.62 0.00 -0.50 0.00 0.00 175.29 173.89 3ie0 n ALA 139 N 9.59 2.50 -2.06 1.58 0.00 -0.87 -0.73 120.51 130.52 3ie0 n ALA 139 Ca 0.25 -0.53 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 3ie0 n ALA 139 Cb 0.43 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 19.03 3ie0 n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie0 n GLY 140 N 1.31 0.57 0.11 0.00 0.00 -1.26 -1.45 105.19 104.47 3ie0 n GLY 140 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 3ie0 n GLY 140 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ie0 n HIS 141 N -3.31 0.00 -3.89 1.61 -0.00 -1.26 -3.34 115.22 105.04 3ie0 n HIS 141 Ca -0.23 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.39 3ie0 n HIS 141 Cb 0.69 -0.85 -0.09 0.00 -0.00 0.00 0.00 29.99 29.74 3ie0 n HIS 141 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3ie0 s LEU 142 N -6.13 1.59 -0.07 0.27 1.43 -1.26 -4.86 118.68 109.64 3ie0 s LEU 142 Ca -0.26 -0.49 -0.35 0.00 -1.03 0.00 0.00 54.13 51.99 3ie0 s LEU 142 Cb 0.07 0.80 -0.13 0.00 0.03 0.00 0.00 46.19 46.96 3ie0 s LEU 142 CO 0.54 -0.56 1.77 -2.65 0.23 0.00 0.00 176.35 175.68 3ie0 n PRO 143 N 0.60 1.92 -0.69 1.29 -0.02 -1.26 0.15 135.00 136.98 3ie0 n PRO 143 Ca -0.18 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3ie0 n PRO 143 Cb 0.59 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3ie0 n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ie0 n GLY 144 N 4.08 0.82 3.77 -1.23 0.00 -1.26 -4.25 105.19 107.12 3ie0 n GLY 144 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 3ie0 n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ie0 s SER 145 N -2.85 6.91 0.06 1.61 1.04 0.40 -4.60 113.70 116.28 3ie0 s SER 145 Ca 0.00 2.55 -0.08 0.00 0.48 0.00 0.00 55.95 58.90 3ie0 s SER 145 Cb 0.00 -2.64 -0.00 0.00 0.10 0.00 0.00 66.02 63.48 3ie0 s SER 145 CO 0.00 -0.43 0.17 0.00 0.98 0.00 0.00 173.24 173.96 3ie0 s ALA 146 N -1.16 -0.22 0.39 5.32 0.00 -0.05 -2.05 121.76 124.00 3ie0 s ALA 146 Ca 0.48 -0.53 0.08 0.00 0.00 0.00 0.00 51.96 51.98 3ie0 s ALA 146 Cb -0.37 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 3ie0 s ALA 146 CO 0.49 -0.43 0.41 -0.59 0.00 0.00 0.00 175.76 175.64 3ie0 s PHE 147 N -3.31 2.82 -0.05 0.00 -0.12 -0.50 -4.62 117.98 112.20 3ie0 s PHE 147 Ca 0.01 -0.40 0.06 0.00 -0.05 0.00 0.00 56.93 56.54 3ie0 s PHE 147 Cb 0.03 -2.11 -0.02 0.00 -0.63 0.00 0.00 43.02 40.28 3ie0 s PHE 147 CO -0.08 -0.11 -0.22 0.08 -0.05 0.00 0.00 175.22 174.85 3ie0 s VAL 148 N -2.38 2.38 -0.15 -2.49 1.01 0.74 -1.74 120.40 117.77 3ie0 s VAL 148 Ca 0.48 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 3ie0 s VAL 148 Cb -0.06 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 3ie0 s VAL 148 CO 0.29 0.57 -0.12 -0.69 0.00 0.00 0.00 175.10 175.15 3ie0 s VAL 149 N -0.38 2.99 -0.12 2.92 1.01 -0.12 -0.74 120.40 125.96 3ie0 s VAL 149 Ca 0.03 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3ie0 s VAL 149 Cb -0.12 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 34.00 3ie0 s VAL 149 CO 0.02 0.51 -0.14 0.00 0.00 0.00 0.00 175.10 175.49 3ie0 s ALA 150 N 0.65 1.69 -0.13 5.51 0.00 0.05 -1.70 121.76 127.82 3ie0 s ALA 150 Ca -0.07 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.17 3ie0 s ALA 150 Cb -0.15 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.08 3ie0 s ALA 150 CO 0.02 -0.20 -0.20 -1.14 0.00 0.00 0.00 175.76 174.24 3ie0 s GLN 151 N 1.21 2.80 -0.18 0.00 -0.44 0.15 -1.89 119.66 121.30 3ie0 s GLN 151 Ca -0.02 -0.77 -0.30 0.00 -2.50 0.00 0.00 55.36 51.76 3ie0 s GLN 151 Cb -0.14 -2.29 0.14 0.00 -1.64 0.00 0.00 33.01 29.08 3ie0 s GLN 151 CO -0.05 -0.04 1.11 0.20 0.50 0.00 0.00 175.29 177.01 3ie0 s GLY 152 N 0.89 -0.20 -1.45 2.59 0.00 -0.99 -0.15 107.32 108.00 3ie0 s GLY 152 Ca -0.06 2.07 -0.10 0.00 0.00 0.00 0.00 44.72 46.62 3ie0 s GLY 152 CO -0.02 0.91 0.76 1.18 0.00 0.00 0.00 173.10 175.92 3ie0 n GLU 153 N 0.47 -4.81 -2.51 2.90 1.02 -1.26 -0.74 120.64 115.70 3ie0 n GLU 153 Ca -0.06 0.63 -0.19 0.00 -0.02 0.00 0.00 57.16 57.53 3ie0 n GLU 153 Cb 0.59 -5.47 0.00 0.00 -0.02 0.00 0.00 31.44 26.54 3ie0 n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ie0 n GLY 154 N -1.50 -0.38 3.25 0.62 0.00 -1.26 -5.00 105.19 100.92 3ie0 n GLY 154 Ca -0.01 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 3ie0 n GLY 154 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie0 s ARG 155 N -5.10 1.15 -0.12 1.61 1.81 0.09 -5.12 118.95 113.26 3ie0 s ARG 155 Ca 0.08 -1.56 -0.04 0.00 -1.72 0.00 0.00 55.73 52.48 3ie0 s ARG 155 Cb -0.03 -0.29 0.06 0.00 -0.45 0.00 0.00 34.95 34.23 3ie0 s ARG 155 CO 0.10 -0.14 0.24 0.99 -0.68 0.00 0.00 175.30 175.80 3ie0 s THR 156 N -3.64 -0.37 -0.05 0.02 2.01 -1.26 -2.35 115.64 109.99 3ie0 s THR 156 Ca 0.25 0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.59 3ie0 s THR 156 Cb 0.06 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 3ie0 s THR 156 CO 0.05 0.13 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.73 3ie0 s LEU 157 N 2.37 2.66 -0.17 4.42 2.96 -0.79 0.21 118.68 130.34 3ie0 s LEU 157 Ca 0.02 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 3ie0 s LEU 157 Cb -0.12 -1.54 0.03 0.00 0.50 0.00 0.00 46.19 45.07 3ie0 s LEU 157 CO -0.08 0.33 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.49 3ie0 s VAL 158 N -0.63 1.44 -0.36 1.68 1.01 -0.31 -0.77 120.40 122.46 3ie0 s VAL 158 Ca 0.09 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 3ie0 s VAL 158 Cb -0.11 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 3ie0 s VAL 158 CO 0.01 0.26 0.27 -0.47 0.00 0.00 0.00 175.10 175.17 3ie0 s TYR 159 N 1.51 3.23 0.42 5.22 6.04 0.08 -0.59 117.35 133.26 3ie0 s TYR 159 Ca 0.02 -0.26 0.11 0.00 0.04 0.00 0.00 57.07 56.97 3ie0 s TYR 159 Cb -0.15 -2.53 0.90 0.00 -1.04 0.00 0.00 41.96 39.14 3ie0 s TYR 159 CO -0.09 -0.42 1.98 0.66 -1.54 0.00 0.00 175.55 176.14 3ie0 h SER 160 N 8.52 0.18 0.00 4.32 4.64 -1.02 0.21 113.55 130.40 3ie0 h SER 160 Ca -0.30 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3ie0 h SER 160 Cb 1.15 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3ie0 h SER 160 CO 0.66 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 177.52 3ie0 n GLY 161 N -1.05 0.87 3.69 -0.77 0.00 -1.26 -4.20 105.19 102.47 3ie0 n GLY 161 Ca -0.01 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 3ie0 n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ie0 s ASP 162 N -4.00 5.80 -0.24 1.61 -0.00 -1.26 -4.32 116.67 114.26 3ie0 s ASP 162 Ca 0.00 0.17 -0.11 0.00 -0.00 0.00 0.00 52.55 52.61 3ie0 s ASP 162 Cb 0.00 -1.95 -0.05 0.00 -0.00 0.00 0.00 42.92 40.92 3ie0 s ASP 162 CO 0.00 0.23 0.17 -0.76 -0.00 0.00 0.00 175.17 174.81 3ie0 s LEU 163 N 0.04 4.11 0.00 1.23 1.02 -1.26 -4.38 118.68 119.43 3ie0 s LEU 163 Ca 0.07 0.12 -0.14 0.00 0.02 0.00 0.00 54.13 54.19 3ie0 s LEU 163 Cb -0.12 -2.13 0.21 0.00 0.02 0.00 0.00 46.19 44.18 3ie0 s LEU 163 CO 0.00 0.05 0.67 0.61 0.02 0.00 0.00 176.35 177.70 3ie0 n GLY 164 N 4.36 -3.00 3.26 -3.19 0.00 -0.53 -0.63 105.19 105.46 3ie0 n GLY 164 Ca -0.15 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 3ie0 n GLY 164 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ie0 s ASN 165 N -3.24 5.89 0.59 1.61 3.04 -1.23 -2.80 114.94 118.81 3ie0 s ASN 165 Ca 0.46 -1.79 0.29 0.00 0.04 0.00 0.00 52.86 51.85 3ie0 s ASN 165 Cb -0.05 -2.09 1.43 0.00 -1.54 0.00 0.00 41.25 39.00 3ie0 s ASN 165 CO 0.36 -0.73 1.84 0.08 -3.04 0.00 0.00 177.10 175.61 3ie0 h ARG 166 N 8.61 0.00 -0.17 0.43 0.11 -1.91 -1.94 114.38 119.52 3ie0 h ARG 166 Ca -0.25 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.81 3ie0 h ARG 166 Cb 1.09 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.15 3ie0 h ARG 166 CO 0.91 0.00 -0.02 0.93 0.10 0.00 0.00 179.97 181.89 3ie0 h GLU 167 N 0.00 0.24 -7.25 0.08 4.39 -1.97 -3.45 114.58 106.62 3ie0 h GLU 167 Ca 0.23 -0.04 -0.49 0.00 0.34 0.00 0.00 59.36 59.40 3ie0 h GLU 167 Cb 1.32 -0.04 0.19 0.00 -0.10 0.00 0.00 28.75 30.12 3ie0 h GLU 167 CO -0.00 0.28 0.18 0.15 -1.16 0.00 0.00 179.01 178.46 3ie0 s LYS 168 N -4.96 0.64 -0.22 2.33 1.02 -0.73 -4.81 119.74 113.02 3ie0 s LYS 168 Ca -0.06 1.21 0.10 0.00 0.02 0.00 0.00 55.97 57.25 3ie0 s LYS 168 Cb 0.16 -1.71 -0.20 0.00 -0.52 0.00 0.00 37.83 35.56 3ie0 s LYS 168 CO 0.72 -2.78 -0.06 -0.25 -0.92 0.00 0.00 175.35 172.06 3ie0 n ASP 169 N -4.30 1.07 0.07 2.83 10.43 -1.26 -4.73 116.55 120.66 3ie0 n ASP 169 Ca 0.08 -0.06 -0.13 0.00 2.57 0.00 0.00 54.79 57.26 3ie0 n ASP 169 Cb 0.53 0.36 -0.07 0.00 1.84 0.00 0.00 41.12 43.77 3ie0 n ASP 169 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3ie0 h VAL 170 N 0.00 0.96 -2.45 2.53 2.07 -1.96 -3.42 116.25 113.97 3ie0 h VAL 170 Ca -0.54 -0.11 -0.45 0.00 0.82 0.00 0.00 66.70 66.43 3ie0 h VAL 170 Cb 2.04 1.02 0.03 0.00 -1.52 0.00 0.00 31.29 32.86 3ie0 h VAL 170 CO -0.02 0.03 -0.15 -0.76 0.02 0.00 0.00 177.57 176.69 3ie0 s LEU 171 N -10.08 3.66 0.53 2.57 2.01 -1.26 -0.69 118.68 115.42 3ie0 s LEU 171 Ca -0.14 0.11 -0.16 0.00 0.01 0.00 0.00 54.13 53.95 3ie0 s LEU 171 Cb 0.05 -3.01 -0.07 0.00 0.01 0.00 0.00 46.19 43.18 3ie0 s LEU 171 CO 0.65 -0.71 1.00 -2.16 1.01 0.00 0.00 176.35 176.14 3ie0 s PRO 172 N -4.50 3.84 0.80 1.29 0.04 -1.26 -4.46 135.00 130.74 3ie0 s PRO 172 Ca 0.49 0.97 -0.13 0.00 0.04 0.00 0.00 61.00 62.37 3ie0 s PRO 172 Cb -0.10 -2.12 0.08 0.00 0.04 0.00 0.00 34.50 32.40 3ie0 s PRO 172 CO 0.36 -0.37 1.21 -0.51 0.04 0.00 0.00 177.00 177.73 3ie0 s ASP 173 N -3.12 3.67 0.56 6.66 1.01 -1.26 -4.30 116.67 119.89 3ie0 s ASP 173 Ca 0.59 2.36 -0.19 0.00 0.71 0.00 0.00 52.55 56.03 3ie0 s ASP 173 Cb -0.11 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.18 3ie0 s ASP 173 CO 0.34 -2.61 1.11 -2.84 0.21 0.00 0.00 175.17 171.38 3ie0 s PRO 174 N -4.12 3.31 -0.04 8.23 0.02 -1.26 -4.62 135.00 136.52 3ie0 s PRO 174 Ca 0.73 1.53 -0.16 0.00 0.02 0.00 0.00 61.00 63.13 3ie0 s PRO 174 Cb -0.29 -2.01 -0.05 0.00 0.02 0.00 0.00 34.50 32.17 3ie0 s PRO 174 CO 0.50 -0.87 0.43 0.45 -0.33 0.00 0.00 177.00 177.18 3ie0 s SER 175 N -1.96 6.76 0.77 2.53 0.15 0.09 -5.00 113.70 117.04 3ie0 s SER 175 Ca 0.71 0.91 -0.15 0.00 0.70 0.00 0.00 55.95 58.12 3ie0 s SER 175 Cb -0.22 -2.26 0.05 0.00 -1.71 0.00 0.00 66.02 61.87 3ie0 s SER 175 CO 0.29 0.22 1.09 0.18 1.20 0.00 0.00 173.24 176.22 3ie0 n LEU 176 N 2.45 4.03 -4.94 3.45 4.77 -1.26 -4.74 117.00 120.75 3ie0 n LEU 176 Ca -0.12 0.62 -0.24 0.00 -0.03 0.00 0.00 56.01 56.25 3ie0 n LEU 176 Cb 0.52 -1.46 -0.00 0.00 -2.33 0.00 0.00 43.42 40.14 3ie0 n LEU 176 CO 0.39 -1.84 0.23 -2.16 -1.33 0.00 0.00 177.39 172.68 3ie0 s PRO 177 N -3.77 3.33 0.72 3.23 0.04 -1.26 -5.00 135.00 132.29 3ie0 s PRO 177 Ca 0.73 -0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.30 3ie0 s PRO 177 Cb -0.31 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.64 3ie0 s PRO 177 CO 0.51 -0.03 1.07 -1.25 0.04 0.00 0.00 177.00 177.34 3ie0 s PRO 178 N -4.43 2.75 0.11 0.56 0.04 -1.26 -4.94 135.00 127.84 3ie0 s PRO 178 Ca 0.44 0.96 -0.31 0.00 0.04 0.00 0.00 61.00 62.12 3ie0 s PRO 178 Cb -0.10 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 3ie0 s PRO 178 CO 0.37 -1.23 1.63 -1.17 0.04 0.00 0.00 177.00 176.64 3ie0 s LEU 179 N -5.63 4.37 0.21 -3.56 2.96 -1.26 -4.97 118.68 110.80 3ie0 s LEU 179 Ca 0.59 2.56 0.09 0.00 -0.22 0.00 0.00 54.13 57.15 3ie0 s LEU 179 Cb -0.15 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 3ie0 s LEU 179 CO 0.55 -0.87 -0.17 0.00 -1.32 0.00 0.00 176.35 174.54 3ie0 s ALA 180 N 2.03 2.21 0.15 5.97 0.00 -1.26 -4.96 121.76 125.90 3ie0 s ALA 180 Ca 0.73 -1.67 0.03 0.00 0.00 0.00 0.00 51.96 51.05 3ie0 s ALA 180 Cb -0.42 -0.16 -0.07 0.00 0.00 0.00 0.00 23.12 22.47 3ie0 s ALA 180 CO 0.32 0.17 1.33 -0.44 0.00 0.00 0.00 175.76 177.15 3ie0 h ASP 181 N 2.69 0.22 -3.49 0.00 5.19 -0.62 -3.40 116.42 117.02 3ie0 h ASP 181 Ca -0.40 -0.20 -0.18 0.00 -0.62 0.00 0.00 57.03 55.63 3ie0 h ASP 181 Cb 1.23 -0.07 -0.28 0.00 0.18 0.00 0.00 39.33 40.38 3ie0 h ASP 181 CO 0.58 1.04 -0.46 -0.22 -3.12 0.00 0.00 179.24 177.06 3ie0 s LEU 182 N -7.26 0.59 -0.26 1.55 2.96 -0.89 -4.28 118.68 111.08 3ie0 s LEU 182 Ca -0.02 0.52 0.03 0.00 -0.22 0.00 0.00 54.13 54.44 3ie0 s LEU 182 Cb 0.10 0.78 0.06 0.00 0.50 0.00 0.00 46.19 47.63 3ie0 s LEU 182 CO 0.83 -0.14 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.93 3ie0 s VAL 183 N 0.93 2.12 -0.70 1.68 1.01 -0.28 -1.17 120.40 123.99 3ie0 s VAL 183 Ca -0.07 -1.62 -0.23 0.00 0.00 0.00 0.00 61.98 60.06 3ie0 s VAL 183 Cb -0.08 -2.25 0.06 0.00 0.00 0.00 0.00 36.38 34.12 3ie0 s VAL 183 CO -0.06 -0.05 1.06 -0.22 0.00 0.00 0.00 175.10 175.83 3ie0 s LEU 184 N 1.12 4.12 0.30 3.92 2.96 0.25 -1.48 118.68 129.87 3ie0 s LEU 184 Ca -0.08 -0.94 0.07 0.00 -0.22 0.00 0.00 54.13 52.96 3ie0 s LEU 184 Cb -0.20 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 3ie0 s LEU 184 CO -0.05 -1.51 0.25 0.00 -1.32 0.00 0.00 176.35 173.71 3ie0 s ALA 185 N 4.40 3.73 0.35 5.97 0.00 -1.07 -0.41 121.76 134.73 3ie0 s ALA 185 Ca 0.26 -1.56 -0.04 0.00 0.00 0.00 0.00 51.96 50.62 3ie0 s ALA 185 Cb -0.14 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 3ie0 s ALA 185 CO 0.10 0.11 0.62 -1.83 0.00 0.00 0.00 175.76 174.76 3ie0 s GLU 186 N -3.93 3.60 0.00 0.00 -1.05 -1.26 -0.86 118.70 115.21 3ie0 s GLU 186 Ca 0.37 0.03 0.00 0.00 -0.15 0.00 0.00 54.97 55.22 3ie0 s GLU 186 Cb -0.07 -2.57 0.00 0.00 -0.44 0.00 0.00 34.13 31.06 3ie0 s GLU 186 CO 0.26 0.09 0.57 0.41 0.95 0.00 0.00 175.26 177.54 3ie0 n GLY 187 N -1.41 -0.27 0.03 -3.83 0.00 -0.17 -4.78 105.19 94.76 3ie0 n GLY 187 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 3ie0 n GLY 187 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ie0 n THR 188 N -0.16 -0.04 -2.33 2.61 -1.04 -0.28 0.12 114.28 113.16 3ie0 n THR 188 Ca 0.00 0.21 -0.18 0.00 -2.04 0.00 0.00 64.05 62.03 3ie0 n THR 188 Cb 0.31 -0.31 0.02 0.00 -1.82 0.00 0.00 70.33 68.54 3ie0 n THR 188 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3ie0 n TYR 189 N -3.78 2.44 0.29 -1.42 4.02 -1.26 -4.80 117.16 112.65 3ie0 n TYR 189 Ca 0.02 -2.41 0.11 0.00 -0.01 0.00 0.00 57.90 55.61 3ie0 n TYR 189 Cb 0.08 -0.27 0.50 0.00 -0.02 0.00 0.00 39.34 39.62 3ie0 n TYR 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ie0 n GLY 190 N -0.59 -1.07 0.10 2.72 0.00 0.32 -2.53 105.19 104.15 3ie0 n GLY 190 Ca 0.33 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.60 3ie0 n GLY 190 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ie0 n ASP 191 N -2.17 0.49 -3.63 1.61 3.85 -1.25 -3.36 116.55 112.08 3ie0 n ASP 191 Ca 0.01 -0.45 -0.03 0.00 -0.71 0.00 0.00 54.79 53.61 3ie0 n ASP 191 Cb 0.14 -0.05 -0.02 0.00 -1.35 0.00 0.00 41.12 39.84 3ie0 n ASP 191 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ie0 s ARG 192 N -2.61 0.09 0.53 0.11 1.70 -1.05 -5.01 118.95 112.71 3ie0 s ARG 192 Ca 0.24 -0.03 -0.06 0.00 -0.47 0.00 0.00 55.73 55.41 3ie0 s ARG 192 Cb 0.19 0.04 -0.03 0.00 -0.57 0.00 0.00 34.95 34.59 3ie0 s ARG 192 CO 0.52 -0.04 0.86 -1.25 -1.08 0.00 0.00 175.30 174.30 3ie0 s PRO 193 N -2.11 3.42 0.42 3.89 0.04 -1.26 -0.77 135.00 138.63 3ie0 s PRO 193 Ca 0.11 0.26 -0.06 0.00 0.04 0.00 0.00 61.00 61.36 3ie0 s PRO 193 Cb -0.01 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 3ie0 s PRO 193 CO -0.03 -0.38 0.73 -1.01 0.04 0.00 0.00 177.00 176.35 3ie0 s HIS 194 N -2.88 3.52 0.57 0.56 3.76 -1.26 -4.83 115.29 114.74 3ie0 s HIS 194 Ca 0.50 0.80 -0.19 0.00 -0.15 0.00 0.00 55.06 56.02 3ie0 s HIS 194 Cb -0.10 -2.27 -0.04 0.00 1.11 0.00 0.00 32.58 31.28 3ie0 s HIS 194 CO 0.47 -0.13 1.21 1.03 -0.85 0.00 0.00 174.74 176.46 3ie0 s ARG 195 N -4.31 3.08 0.35 1.40 0.52 -1.26 -4.89 118.95 113.84 3ie0 s ARG 195 Ca 0.47 1.84 -0.27 0.00 -0.52 0.00 0.00 55.73 57.25 3ie0 s ARG 195 Cb -0.10 -2.00 -0.12 0.00 0.52 0.00 0.00 34.95 33.25 3ie0 s ARG 195 CO 0.39 -1.12 1.18 -2.30 0.02 0.00 0.00 175.30 173.47 3ie0 n PRO 196 N -1.44 1.81 -0.06 3.54 -0.02 -1.26 -4.51 135.00 133.07 3ie0 n PRO 196 Ca 0.13 0.64 -0.11 0.00 -2.02 0.00 0.00 63.50 62.13 3ie0 n PRO 196 Cb 0.49 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.73 3ie0 n PRO 196 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3ie0 h TYR 197 N 2.21 0.32 -0.36 6.00 5.03 -1.87 -3.16 116.97 125.13 3ie0 h TYR 197 Ca -0.45 -0.05 0.05 0.00 2.58 0.00 0.00 58.73 60.87 3ie0 h TYR 197 Cb 1.31 -0.09 -0.05 0.00 1.55 0.00 0.00 36.73 39.45 3ie0 h TYR 197 CO 0.48 0.48 0.07 0.00 -1.32 0.00 0.00 178.16 177.87 3ie0 h ARG 198 N 0.07 0.18 0.00 1.82 3.08 -1.89 -1.41 114.38 116.23 3ie0 h ARG 198 Ca 0.05 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3ie0 h ARG 198 Cb 0.34 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3ie0 h ARG 198 CO 0.01 0.12 -0.14 1.05 -1.07 0.00 0.00 179.97 179.94 3ie0 h GLU 199 N 0.19 0.00 -0.26 0.04 4.11 -1.95 -2.09 114.58 114.61 3ie0 h GLU 199 Ca 0.17 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.52 3ie0 h GLU 199 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3ie0 h GLU 199 CO -0.23 0.14 -0.15 1.15 0.07 0.00 0.00 179.01 179.99 3ie0 h THR 200 N 0.00 1.30 -0.45 -1.06 2.02 -1.25 -2.64 112.91 110.83 3ie0 h THR 200 Ca -0.00 -1.25 -0.04 0.00 0.77 0.00 0.00 66.41 65.89 3ie0 h THR 200 Cb 0.31 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3ie0 h THR 200 CO 0.02 0.39 0.11 0.58 0.37 0.00 0.00 175.52 176.99 3ie0 h VAL 201 N 0.29 1.20 -0.20 3.16 2.07 -0.71 0.39 116.25 122.44 3ie0 h VAL 201 Ca 0.06 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3ie0 h VAL 201 Cb 0.67 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3ie0 h VAL 201 CO 0.04 0.26 0.07 0.03 0.02 0.00 0.00 177.57 177.99 3ie0 h ARG 202 N 0.65 0.32 0.03 1.57 3.08 -1.30 -1.35 114.38 117.37 3ie0 h ARG 202 Ca 0.15 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 3ie0 h ARG 202 Cb 0.24 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3ie0 h ARG 202 CO -0.00 0.41 -0.01 1.49 -1.07 0.00 0.00 179.97 180.78 3ie0 h GLU 203 N 0.16 -0.04 -0.60 0.04 4.81 -1.12 -0.53 114.58 117.31 3ie0 h GLU 203 Ca 0.07 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.39 3ie0 h GLU 203 Cb 0.22 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.50 3ie0 h GLU 203 CO -0.00 0.11 -0.43 0.35 -0.73 0.00 0.00 179.01 178.31 3ie0 h PHE 204 N -0.18 -1.28 -0.83 0.92 -0.00 -0.81 0.58 116.94 115.33 3ie0 h PHE 204 Ca -0.00 0.08 0.07 0.00 -0.00 0.00 0.00 57.97 58.12 3ie0 h PHE 204 Cb 0.17 0.64 -0.06 0.00 -0.00 0.00 0.00 35.95 36.71 3ie0 h PHE 204 CO -0.03 -0.42 0.54 -0.07 -0.00 0.00 0.00 178.31 178.34 3ie0 h LEU 205 N -0.21 0.79 0.24 0.59 3.38 -1.03 -0.39 115.31 118.68 3ie0 h LEU 205 Ca 0.19 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3ie0 h LEU 205 Cb 0.56 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ie0 h LEU 205 CO -0.70 0.50 -0.15 -0.33 0.09 0.00 0.00 178.44 177.84 3ie0 h GLU 206 N 0.89 -0.36 0.25 1.13 5.08 0.17 0.15 114.58 121.87 3ie0 h GLU 206 Ca 0.37 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.76 3ie0 h GLU 206 Cb 0.28 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3ie0 h GLU 206 CO -0.14 -0.24 -0.28 0.82 -1.00 0.00 0.00 179.01 178.17 3ie0 h ILE 207 N -0.38 0.40 -0.70 3.13 2.04 0.30 -1.47 117.51 120.83 3ie0 h ILE 207 Ca -0.02 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.95 3ie0 h ILE 207 Cb 0.32 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 36.71 3ie0 h ILE 207 CO 0.02 0.00 0.29 -0.07 0.00 0.00 0.00 178.15 178.39 3ie0 h LEU 208 N -0.58 0.30 0.16 1.44 3.38 -1.01 -1.64 115.31 117.36 3ie0 h LEU 208 Ca -0.00 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3ie0 h LEU 208 Cb 0.55 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3ie0 h LEU 208 CO -0.08 0.15 -0.22 -0.08 0.09 0.00 0.00 178.44 178.30 3ie0 h GLU 209 N 0.47 -0.41 0.76 1.13 4.57 -0.60 -1.23 114.58 119.26 3ie0 h GLU 209 Ca 0.37 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.54 3ie0 h GLU 209 Cb 0.49 0.09 0.01 0.00 -0.16 0.00 0.00 28.75 29.18 3ie0 h GLU 209 CO -0.35 -0.28 -0.38 -0.22 -1.18 0.00 0.00 179.01 176.61 3ie0 h LYS 210 N -0.43 -1.00 -0.19 1.92 3.64 -0.65 -1.68 116.57 118.18 3ie0 h LYS 210 Ca 0.02 0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3ie0 h LYS 210 Cb 0.43 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 3ie0 h LYS 210 CO -0.09 -0.67 0.10 0.00 -2.27 0.00 0.00 179.45 176.52 3ie0 h THR 211 N -1.04 1.12 0.00 1.00 1.03 -1.40 -2.09 112.91 111.53 3ie0 h THR 211 Ca -0.10 -0.33 -0.00 0.00 -0.01 0.00 0.00 66.41 65.97 3ie0 h THR 211 Cb 0.80 1.00 -0.00 0.00 -1.07 0.00 0.00 68.15 68.88 3ie0 h THR 211 CO 0.16 0.11 -0.01 -0.07 -0.01 0.00 0.00 175.52 175.70 3ie0 h LEU 212 N 0.18 0.00 -0.41 0.00 3.38 -1.30 0.45 115.31 117.61 3ie0 h LEU 212 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ie0 h LEU 212 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ie0 h LEU 212 CO -0.01 0.01 0.00 0.28 0.09 0.00 0.00 178.44 178.81 3ie0 h SER 213 N 0.00 0.00 -0.36 -0.43 0.02 -0.63 -2.95 113.55 109.20 3ie0 h SER 213 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3ie0 h SER 213 Cb 0.02 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3ie0 h SER 213 CO 0.00 0.00 0.02 0.00 -1.14 0.00 0.00 176.83 175.71 3ie0 n GLN 214 N -2.88 3.12 -1.26 3.45 10.64 -0.26 -4.94 117.38 125.25 3ie0 n GLN 214 Ca 0.03 -2.95 -0.09 0.00 -1.83 0.00 0.00 57.00 52.17 3ie0 n GLN 214 Cb 0.43 -1.93 -0.04 0.00 -0.86 0.00 0.00 30.24 27.84 3ie0 n GLN 214 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3ie0 n GLY 215 N -0.42 0.99 3.91 2.61 0.00 -1.01 -4.97 105.19 106.31 3ie0 n GLY 215 Ca 0.26 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 3ie0 n GLY 215 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ie0 s GLY 216 N -2.55 1.64 -0.05 -0.02 0.00 -0.01 -3.02 107.32 103.31 3ie0 s GLY 216 Ca 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 44.72 43.90 3ie0 s GLY 216 CO 0.00 -0.33 0.15 0.54 0.00 0.00 0.00 173.10 173.46 3ie0 s LYS 217 N -5.43 3.39 -0.24 2.90 1.02 -1.26 -2.95 119.74 117.17 3ie0 s LYS 217 Ca 0.61 -0.27 -0.05 0.00 0.02 0.00 0.00 55.97 56.28 3ie0 s LYS 217 Cb -0.11 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 3ie0 s LYS 217 CO 0.47 0.71 0.02 0.08 -0.92 0.00 0.00 175.35 175.71 3ie0 s VAL 218 N -1.19 3.77 -0.28 3.17 1.01 -0.08 -2.05 120.40 124.74 3ie0 s VAL 218 Ca 0.22 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 3ie0 s VAL 218 Cb -0.12 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3ie0 s VAL 218 CO 0.12 0.32 0.15 -0.76 0.00 0.00 0.00 175.10 174.94 3ie0 s LEU 219 N 1.52 3.90 -0.31 3.92 1.02 0.42 -0.57 118.68 128.58 3ie0 s LEU 219 Ca 0.05 -0.23 0.03 0.00 0.02 0.00 0.00 54.13 54.00 3ie0 s LEU 219 Cb -0.15 -2.03 0.09 0.00 0.02 0.00 0.00 46.19 44.12 3ie0 s LEU 219 CO -0.00 -0.10 0.01 -0.63 0.02 0.00 0.00 176.35 175.66 3ie0 s ILE 220 N 1.68 2.01 0.28 -0.59 1.01 0.49 -0.67 121.20 125.40 3ie0 s ILE 220 Ca 0.06 -1.97 -0.29 0.00 0.00 0.00 0.00 60.65 58.45 3ie0 s ILE 220 Cb -0.16 -2.39 -0.10 0.00 0.01 0.00 0.00 42.46 39.83 3ie0 s ILE 220 CO 0.07 -0.44 1.19 -2.16 0.00 0.00 0.00 174.94 173.61 3ie0 s PRO 221 N 1.08 4.51 0.05 2.79 0.04 -1.26 -2.66 135.00 139.56 3ie0 s PRO 221 Ca 0.05 1.96 -0.18 0.00 0.04 0.00 0.00 61.00 62.87 3ie0 s PRO 221 Cb -0.19 -3.16 0.04 0.00 0.04 0.00 0.00 34.50 31.23 3ie0 s PRO 221 CO -0.09 0.01 0.42 0.95 0.04 0.00 0.00 177.00 178.33 3ie0 s THR 222 N -0.91 0.05 0.38 1.26 -4.23 0.08 -4.46 115.64 107.82 3ie0 s THR 222 Ca 0.48 -0.45 -0.15 0.00 -1.18 0.00 0.00 61.69 60.39 3ie0 s THR 222 Cb -0.35 -0.97 -0.08 0.00 1.34 0.00 0.00 72.50 72.44 3ie0 s THR 222 CO 0.44 -0.25 0.80 -0.36 -0.54 0.00 0.00 174.62 174.71 3ie0 s PHE 223 N -2.55 3.40 0.12 3.99 0.40 -1.26 -3.46 117.98 118.62 3ie0 s PHE 223 Ca -0.05 1.24 0.17 0.00 -0.60 0.00 0.00 56.93 57.69 3ie0 s PHE 223 Cb -0.01 -2.58 0.51 0.00 0.51 0.00 0.00 43.02 41.46 3ie0 s PHE 223 CO -0.03 -0.04 1.66 0.00 0.70 0.00 0.00 175.22 177.51 3ie0 h ALA 224 N 1.78 0.91 0.18 5.36 0.00 -1.97 -2.88 119.26 122.64 3ie0 h ALA 224 Ca -0.48 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.02 3ie0 h ALA 224 Cb 1.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3ie0 h ALA 224 CO 0.64 0.55 -0.08 0.28 0.00 0.00 0.00 179.25 180.64 3ie0 h VAL 225 N 0.00 0.41 0.00 0.00 2.07 -1.94 -3.38 116.25 113.42 3ie0 h VAL 225 Ca -0.00 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3ie0 h VAL 225 Cb 1.03 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3ie0 h VAL 225 CO 0.06 0.12 -0.80 -1.84 0.02 0.00 0.00 177.57 175.13 3ie0 n GLU 226 N -4.92 1.26 -0.32 1.57 -0.00 -1.26 -4.73 120.64 112.24 3ie0 n GLU 226 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.11 3ie0 n GLU 226 Cb 0.19 -0.90 0.18 0.00 -0.00 0.00 0.00 31.44 30.91 3ie0 n GLU 226 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3ie0 h ARG 227 N 0.00 1.15 0.39 3.44 9.65 -1.88 -0.35 114.38 126.78 3ie0 h ARG 227 Ca 0.00 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.79 3ie0 h ARG 227 Cb 0.80 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 3ie0 h ARG 227 CO 0.00 0.76 -0.19 0.00 2.80 0.00 0.00 179.97 183.34 3ie0 h ALA 228 N 1.45 -0.52 -0.24 2.80 0.00 -1.78 -1.93 119.26 119.03 3ie0 h ALA 228 Ca 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ie0 h ALA 228 Cb -0.04 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ie0 h ALA 228 CO -0.10 -0.70 0.15 -0.56 0.00 0.00 0.00 179.25 178.05 3ie0 h GLN 229 N -0.72 0.32 -0.54 0.00 -0.00 -1.79 -1.53 115.11 110.85 3ie0 h GLN 229 Ca -0.05 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.54 3ie0 h GLN 229 Cb 0.50 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.48 27.89 3ie0 h GLN 229 CO 0.09 0.22 0.22 1.49 -0.00 0.00 0.00 178.83 180.85 3ie0 h GLU 230 N 0.33 0.81 -0.40 0.06 4.81 -0.83 -0.79 114.58 118.57 3ie0 h GLU 230 Ca 0.09 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 3ie0 h GLU 230 Cb -0.03 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3ie0 h GLU 230 CO -0.02 0.71 0.05 0.82 -0.73 0.00 0.00 179.01 179.84 3ie0 h ILE 231 N 0.74 1.20 -0.45 2.32 1.08 -0.51 -1.35 117.51 120.55 3ie0 h ILE 231 Ca 0.18 -0.78 -0.09 0.00 -0.39 0.00 0.00 64.86 63.78 3ie0 h ILE 231 Cb 0.20 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 3ie0 h ILE 231 CO -0.01 0.28 -0.09 -0.07 -0.69 0.00 0.00 178.15 177.57 3ie0 h LEU 232 N 0.60 0.78 -0.61 1.44 3.38 -0.77 -0.90 115.31 119.23 3ie0 h LEU 232 Ca 0.13 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3ie0 h LEU 232 Cb 0.31 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3ie0 h LEU 232 CO 0.01 0.90 0.15 0.22 0.09 0.00 0.00 178.44 179.80 3ie0 h TYR 233 N 0.72 1.02 -0.41 1.13 3.20 -0.37 0.20 116.97 122.46 3ie0 h TYR 233 Ca 0.13 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 3ie0 h TYR 233 Cb 0.56 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3ie0 h TYR 233 CO 0.03 0.86 -0.04 0.28 -1.64 0.00 0.00 178.16 177.65 3ie0 h VAL 234 N 0.89 1.24 -0.00 1.81 2.07 -0.75 -1.36 116.25 120.14 3ie0 h VAL 234 Ca 0.19 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3ie0 h VAL 234 Cb 0.36 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3ie0 h VAL 234 CO 0.00 0.34 -0.00 -0.07 0.02 0.00 0.00 177.57 177.87 3ie0 h LEU 235 N 0.64 0.00 -0.34 2.57 3.38 -0.71 -2.78 115.31 118.08 3ie0 h LEU 235 Ca 0.12 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 57.76 3ie0 h LEU 235 Cb 0.46 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 3ie0 h LEU 235 CO 0.02 0.41 -0.19 0.22 0.09 0.00 0.00 178.44 178.99 3ie0 h TYR 236 N -0.41 -0.49 0.00 1.13 3.20 -0.43 -0.75 116.97 119.22 3ie0 h TYR 236 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3ie0 h TYR 236 Cb 0.41 0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.95 3ie0 h TYR 236 CO 0.07 -0.27 0.00 0.25 -1.64 0.00 0.00 178.16 176.57 3ie0 n THR 237 N -5.36 0.00 -2.44 1.81 -2.24 -0.53 -3.13 114.28 102.39 3ie0 n THR 237 Ca 0.01 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.83 3ie0 n THR 237 Cb 0.27 -0.66 0.02 0.00 -2.10 0.00 0.00 70.33 67.87 3ie0 n THR 237 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ie0 n HIS 238 N -0.98 0.00 0.09 4.78 8.25 -0.42 -4.83 115.22 122.12 3ie0 n HIS 238 Ca 0.15 -0.48 -0.04 0.00 -0.26 0.00 0.00 57.72 57.09 3ie0 n HIS 238 Cb 0.07 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.02 3ie0 n HIS 238 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3ie0 h GLY 239 N 0.92 0.00 -2.63 -1.41 0.00 -1.15 -3.33 103.07 95.47 3ie0 h GLY 239 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3ie0 h GLY 239 CO 0.09 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.24 3ie0 n HIS 240 N -3.42 0.00 -0.02 5.60 1.44 -1.26 -1.19 115.22 116.36 3ie0 n HIS 240 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3ie0 n HIS 240 Cb 0.82 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.82 3ie0 n HIS 240 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 3ie0 n ARG 241 N 1.10 0.00 -2.74 -1.40 1.85 -1.26 -5.13 116.66 109.09 3ie0 n ARG 241 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 3ie0 n ARG 241 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 3ie0 n ARG 241 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3ie0 s LEU 242 N 0.00 4.33 0.23 2.89 1.43 -0.34 -4.98 118.68 122.24 3ie0 s LEU 242 Ca 0.00 1.58 -0.31 0.00 -1.03 0.00 0.00 54.13 54.36 3ie0 s LEU 242 Cb 0.00 -3.52 -0.14 0.00 0.03 0.00 0.00 46.19 42.57 3ie0 s LEU 242 CO 0.00 -0.30 1.35 -0.81 0.23 0.00 0.00 176.35 176.82 3ie0 n PRO 243 N 4.20 1.86 -1.64 1.29 -0.04 -1.26 -4.81 135.00 134.60 3ie0 n PRO 243 Ca 0.06 0.66 -0.55 0.00 -0.04 0.00 0.00 63.50 63.64 3ie0 n PRO 243 Cb 0.50 -2.28 -0.07 0.00 -0.04 0.00 0.00 33.50 31.62 3ie0 n PRO 243 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ie0 n ARG 244 N 1.92 1.13 -3.59 0.54 3.00 -1.26 -4.94 116.66 113.46 3ie0 n ARG 244 Ca 0.12 0.41 -0.10 0.00 -0.01 0.00 0.00 57.85 58.27 3ie0 n ARG 244 Cb 0.30 -2.07 -0.06 0.00 0.00 0.00 0.00 32.46 30.64 3ie0 n ARG 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ie0 s ALA 245 N 1.76 -1.94 0.62 7.54 0.00 -1.26 -4.96 121.76 123.51 3ie0 s ALA 245 Ca 0.90 1.65 -0.15 0.00 0.00 0.00 0.00 51.96 54.37 3ie0 s ALA 245 Cb -1.01 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.20 3ie0 s ALA 245 CO 0.55 -0.29 1.06 -1.25 0.00 0.00 0.00 175.76 175.83 3ie0 s PRO 246 N -0.76 3.19 -0.29 0.00 0.04 -1.26 -4.80 135.00 131.12 3ie0 s PRO 246 Ca -0.01 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.23 3ie0 s PRO 246 Cb -0.02 -2.02 0.08 0.00 0.04 0.00 0.00 34.50 32.59 3ie0 s PRO 246 CO -0.00 -0.91 0.02 0.42 0.04 0.00 0.00 177.00 176.57 3ie0 s ILE 247 N -2.54 1.65 -0.26 0.56 1.01 -0.63 -2.21 121.20 118.79 3ie0 s ILE 247 Ca 0.63 -1.68 -0.19 0.00 0.00 0.00 0.00 60.65 59.40 3ie0 s ILE 247 Cb -0.16 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 3ie0 s ILE 247 CO 0.40 -0.43 0.58 -0.31 0.00 0.00 0.00 174.94 175.19 3ie0 s TYR 248 N 1.27 3.27 -1.18 3.97 1.51 0.03 -0.94 117.35 125.29 3ie0 s TYR 248 Ca 0.04 0.73 -0.11 0.00 -1.01 0.00 0.00 57.07 56.72 3ie0 s TYR 248 Cb -0.19 -2.79 0.22 0.00 -0.11 0.00 0.00 41.96 39.09 3ie0 s TYR 248 CO -0.12 -0.31 1.34 -0.11 -1.11 0.00 0.00 175.55 175.24 3ie0 n LEU 249 N 5.65 5.44 -3.43 -1.29 7.94 0.68 -1.24 117.00 130.75 3ie0 n LEU 249 Ca -0.02 -4.71 -0.34 0.00 -1.11 0.00 0.00 56.01 49.83 3ie0 n LEU 249 Cb 0.49 -1.55 -0.03 0.00 0.53 0.00 0.00 43.42 42.86 3ie0 n LEU 249 CO 0.42 1.02 2.42 -0.67 -1.11 0.00 0.00 177.39 179.46 3ie0 n ASP 250 N 4.32 4.26 -3.15 1.96 2.03 0.25 -2.98 116.55 123.24 3ie0 n ASP 250 Ca 0.32 -2.55 0.04 0.00 0.52 0.00 0.00 54.79 53.12 3ie0 n ASP 250 Cb 0.41 -1.22 -0.00 0.00 -0.72 0.00 0.00 41.12 39.58 3ie0 n ASP 250 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3ie0 s SER 251 N 3.86 -1.53 0.33 1.67 0.15 -1.25 -4.47 113.70 112.46 3ie0 s SER 251 Ca 0.50 0.46 0.09 0.00 0.70 0.00 0.00 55.95 57.70 3ie0 s SER 251 Cb 0.13 2.09 0.82 0.00 -1.71 0.00 0.00 66.02 67.34 3ie0 s SER 251 CO 0.01 -0.28 1.81 -0.65 1.20 0.00 0.00 173.24 175.33 3ie0 h PRO 252 N 8.00 0.67 -0.00 5.44 0.11 -1.83 -1.15 132.00 143.24 3ie0 h PRO 252 Ca -0.10 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 3ie0 h PRO 252 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3ie0 h PRO 252 CO 0.19 0.44 -0.01 1.98 -0.21 0.00 0.00 178.00 180.40 3ie0 h MET 253 N 0.69 0.01 -1.05 1.05 1.85 -1.95 -2.18 114.93 113.35 3ie0 h MET 253 Ca 0.54 -0.01 0.27 0.00 -0.61 0.00 0.00 59.70 59.89 3ie0 h MET 253 Cb 0.93 0.00 -0.10 0.00 0.43 0.00 0.00 31.60 32.86 3ie0 h MET 253 CO -0.31 0.73 0.66 0.00 -0.40 0.00 0.00 176.91 177.60 3ie0 h ALA 254 N 0.28 2.18 -0.31 0.39 0.00 -1.63 0.88 119.26 121.04 3ie0 h ALA 254 Ca -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ie0 h ALA 254 Cb 0.73 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3ie0 h ALA 254 CO 0.00 -0.61 0.16 0.78 0.00 0.00 0.00 179.25 179.59 3ie0 h GLY 255 N 0.41 0.47 1.75 0.00 0.00 -1.02 -0.11 103.07 104.57 3ie0 h GLY 255 Ca 0.61 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.67 3ie0 h GLY 255 CO -0.33 0.21 -0.13 3.21 0.00 0.00 0.00 176.54 179.50 3ie0 h ARG 256 N 0.37 0.31 -0.24 4.80 3.08 -0.22 -2.38 114.38 120.10 3ie0 h ARG 256 Ca 0.11 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 3ie0 h ARG 256 Cb 0.08 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 3ie0 h ARG 256 CO -0.02 0.45 -0.31 0.28 -1.07 0.00 0.00 179.97 179.31 3ie0 h VAL 257 N 0.29 1.31 -0.03 2.04 2.07 -0.82 -2.81 116.25 118.31 3ie0 h VAL 257 Ca 0.06 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 3ie0 h VAL 257 Cb 0.41 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3ie0 h VAL 257 CO 0.02 0.47 -0.05 0.25 0.02 0.00 0.00 177.57 178.28 3ie0 h LEU 258 N 0.35 0.04 -0.42 2.57 5.85 -0.80 -1.95 115.31 120.94 3ie0 h LEU 258 Ca 0.03 -0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.58 3ie0 h LEU 258 Cb 0.88 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 3ie0 h LEU 258 CO 0.07 0.09 -0.47 0.28 -0.34 0.00 0.00 178.44 178.08 3ie0 h SER 259 N 0.04 0.87 1.14 1.25 0.02 -1.19 -2.96 113.55 112.71 3ie0 h SER 259 Ca 0.01 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3ie0 h SER 259 Cb 0.12 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3ie0 h SER 259 CO 0.01 1.20 0.00 0.25 -1.14 0.00 0.00 176.83 177.15 3ie0 h LEU 260 N 0.63 0.00 -0.82 5.07 5.85 -1.13 -3.34 115.31 121.57 3ie0 h LEU 260 Ca 0.03 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3ie0 h LEU 260 Cb 1.05 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 3ie0 h LEU 260 CO 0.10 0.00 0.54 1.88 -0.34 0.00 0.00 178.44 180.63 3ie0 h TYR 261 N 0.00 1.03 0.00 1.25 0.99 -1.25 -2.32 116.97 116.67 3ie0 h TYR 261 Ca 0.00 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 3ie0 h TYR 261 Cb 0.57 -0.35 -0.00 0.00 1.00 0.00 0.00 36.73 37.95 3ie0 h TYR 261 CO 0.00 0.65 -0.03 -1.35 -0.00 0.00 0.00 178.16 177.42 3ie0 h PRO 262 N 1.11 0.00 -0.00 4.88 0.11 -1.77 0.80 132.00 137.14 3ie0 h PRO 262 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3ie0 h PRO 262 Cb -0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 30.99 3ie0 h PRO 262 CO -0.07 0.03 -0.06 0.54 -0.21 0.00 0.00 178.00 178.24 3ie0 n ARG 263 N -3.43 0.10 -0.65 1.05 1.74 -0.88 -3.55 116.66 111.04 3ie0 n ARG 263 Ca -0.02 -0.01 0.01 0.00 -0.77 0.00 0.00 57.85 57.05 3ie0 n ARG 263 Cb 0.15 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.29 3ie0 n ARG 263 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ie0 n LEU 264 N -1.44 3.76 -0.23 0.55 4.32 0.27 -4.81 117.00 119.42 3ie0 n LEU 264 Ca 0.08 -3.58 0.10 0.00 -0.02 0.00 0.00 56.01 52.59 3ie0 n LEU 264 Cb 0.32 -0.59 0.38 0.00 -1.62 0.00 0.00 43.42 41.91 3ie0 n LEU 264 CO 0.27 1.12 1.22 1.62 -1.22 0.00 0.00 177.39 180.39 3ie0 h VAL 265 N 1.06 0.90 0.00 4.08 3.04 -1.59 -2.07 116.25 121.68 3ie0 h VAL 265 Ca 0.13 -0.24 -0.03 0.00 -1.01 0.00 0.00 66.70 65.56 3ie0 h VAL 265 Cb 1.48 0.15 -0.00 0.00 -2.01 0.00 0.00 31.29 30.91 3ie0 h VAL 265 CO 0.28 0.13 -0.14 0.08 -1.01 0.00 0.00 177.57 176.91 3ie0 h ARG 266 N 0.69 0.00 0.00 4.17 0.11 -1.92 -2.58 114.38 114.85 3ie0 h ARG 266 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 3ie0 h ARG 266 Cb 0.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.63 3ie0 h ARG 266 CO -0.16 0.14 0.00 0.66 0.10 0.00 0.00 179.97 180.71 3ie0 n TYR 267 N -3.81 0.00 -2.75 4.08 4.01 -0.78 -4.84 117.16 113.08 3ie0 n TYR 267 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 3ie0 n TYR 267 Cb 0.24 -0.33 0.07 0.00 -0.31 0.00 0.00 39.34 39.01 3ie0 n TYR 267 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3ie0 s PHE 268 N -2.67 1.91 1.12 -0.72 0.08 -0.97 -4.56 117.98 112.17 3ie0 s PHE 268 Ca 0.21 -0.35 -0.17 0.00 0.12 0.00 0.00 56.93 56.74 3ie0 s PHE 268 Cb 0.16 -2.69 0.25 0.00 -0.57 0.00 0.00 43.02 40.18 3ie0 s PHE 268 CO 0.39 -1.28 1.12 -1.54 -0.10 0.00 0.00 175.22 173.81 3ie0 s SER 269 N -4.62 1.59 0.05 1.36 1.04 0.13 -4.62 113.70 108.63 3ie0 s SER 269 Ca 0.62 0.77 -0.29 0.00 0.48 0.00 0.00 55.95 57.53 3ie0 s SER 269 Cb -0.07 -1.14 -0.18 0.00 0.10 0.00 0.00 66.02 64.74 3ie0 s SER 269 CO 0.41 -3.73 1.52 -0.33 0.98 0.00 0.00 173.24 172.09 3ie0 h GLU 270 N -2.31 -0.65 -1.04 4.02 4.39 -1.90 -0.98 114.58 116.12 3ie0 h GLU 270 Ca -0.48 0.04 0.28 0.00 0.34 0.00 0.00 59.36 59.54 3ie0 h GLU 270 Cb 1.30 0.15 -0.11 0.00 -0.10 0.00 0.00 28.75 29.99 3ie0 h GLU 270 CO 0.42 -0.38 0.64 1.49 -1.16 0.00 0.00 179.01 180.02 3ie0 h GLU 271 N -0.77 0.43 0.08 2.33 4.81 -1.93 0.16 114.58 119.69 3ie0 h GLU 271 Ca -0.07 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 58.88 3ie0 h GLU 271 Cb 0.56 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.85 3ie0 h GLU 271 CO 0.11 0.28 -1.12 0.28 -0.73 0.00 0.00 179.01 177.84 3ie0 h VAL 272 N 0.44 1.44 -0.41 0.32 2.07 -1.76 -3.20 116.25 115.16 3ie0 h VAL 272 Ca 0.65 -2.76 -0.10 0.00 0.82 0.00 0.00 66.70 65.30 3ie0 h VAL 272 Cb 1.48 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 33.95 3ie0 h VAL 272 CO -0.41 0.82 -0.17 1.56 0.02 0.00 0.00 177.57 179.38 3ie0 h GLN 273 N 0.15 0.77 -0.28 1.57 4.20 0.46 -2.87 115.11 119.11 3ie0 h GLN 273 Ca -0.12 -0.28 0.04 0.00 0.06 0.00 0.00 58.65 58.35 3ie0 h GLN 273 Cb 1.80 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 29.46 3ie0 h GLN 273 CO 0.19 0.89 -0.50 0.00 -0.67 0.00 0.00 178.83 178.74 3ie0 h ALA 274 N 1.13 -0.78 -0.51 3.87 0.00 -0.82 0.17 119.26 122.32 3ie0 h ALA 274 Ca 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3ie0 h ALA 274 Cb 0.66 1.05 -0.10 0.00 0.00 0.00 0.00 17.79 19.40 3ie0 h ALA 274 CO 0.05 -1.00 -0.48 0.45 0.00 0.00 0.00 179.25 178.27 3ie0 h HIS 275 N -0.42 -1.45 -0.09 0.00 3.86 -1.52 0.63 115.15 116.17 3ie0 h HIS 275 Ca 0.05 0.08 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 3ie0 h HIS 275 Cb 0.56 0.70 -0.00 0.00 1.06 0.00 0.00 27.41 29.73 3ie0 h HIS 275 CO -0.67 -0.45 0.26 0.74 0.86 0.00 0.00 177.93 178.67 3ie0 h PHE 276 N -0.30 0.00 0.03 2.45 0.04 -1.02 -1.68 116.94 116.47 3ie0 h PHE 276 Ca 0.13 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.77 3ie0 h PHE 276 Cb 0.57 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.74 3ie0 h PHE 276 CO -0.71 0.00 -0.55 1.25 -0.60 0.00 0.00 178.31 177.69 3ie0 h LEU 277 N 0.00 0.43 0.00 1.54 5.85 0.31 -2.82 115.31 120.62 3ie0 h LEU 277 Ca 0.04 -0.82 0.00 0.00 0.84 0.00 0.00 57.88 57.94 3ie0 h LEU 277 Cb 0.56 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3ie0 h LEU 277 CO -0.00 1.20 0.00 0.00 -0.34 0.00 0.00 178.44 179.30 3ie0 n GLN 278 N -4.27 0.04 0.00 1.25 6.02 -0.65 -4.83 117.38 114.93 3ie0 n GLN 278 Ca -0.11 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 3ie0 n GLN 278 Cb 0.66 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.42 3ie0 n GLN 278 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ie0 n GLY 279 N -0.93 2.35 3.75 1.08 0.00 -1.06 -5.09 105.19 105.28 3ie0 n GLY 279 Ca 0.02 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 3ie0 n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie0 s LYS 280 N 0.00 1.01 -0.37 1.61 1.02 -1.21 -4.88 119.74 116.92 3ie0 s LYS 280 Ca 0.00 0.44 -0.04 0.00 0.02 0.00 0.00 55.97 56.39 3ie0 s LYS 280 Cb 0.00 -1.81 0.08 0.00 -0.52 0.00 0.00 37.83 35.58 3ie0 s LYS 280 CO 0.00 -2.32 0.14 1.21 -0.92 0.00 0.00 175.35 173.46 3ie0 s ASN 281 N -3.78 5.21 0.09 2.83 3.84 -1.26 -3.47 114.94 118.41 3ie0 s ASN 281 Ca 0.64 -1.61 0.13 0.00 0.21 0.00 0.00 52.86 52.23 3ie0 s ASN 281 Cb -0.16 -1.82 0.59 0.00 -0.55 0.00 0.00 41.25 39.30 3ie0 s ASN 281 CO 0.55 -0.43 1.41 -0.81 -2.79 0.00 0.00 177.10 175.03 3ie0 n PRO 282 N 4.68 0.06 -0.97 0.43 -0.04 -1.26 -2.72 135.00 135.18 3ie0 n PRO 282 Ca -0.08 0.41 -0.09 0.00 -0.04 0.00 0.00 63.50 63.70 3ie0 n PRO 282 Cb 0.43 -1.63 0.26 0.00 -0.04 0.00 0.00 33.50 32.51 3ie0 n PRO 282 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ie0 n PHE 283 N -1.74 2.35 -3.27 0.54 3.72 -1.26 -4.11 117.46 113.68 3ie0 n PHE 283 Ca 0.02 -1.22 -0.25 0.00 -0.05 0.00 0.00 57.45 55.95 3ie0 n PHE 283 Cb 0.12 -0.69 -0.08 0.00 -0.94 0.00 0.00 39.48 37.89 3ie0 n PHE 283 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3ie0 n ARG 284 N -0.26 0.82 -0.59 -1.08 5.12 -1.10 -4.80 116.66 114.77 3ie0 n ARG 284 Ca 0.40 -3.39 -0.30 0.00 -1.93 0.00 0.00 57.85 52.64 3ie0 n ARG 284 Cb 1.35 -1.43 0.21 0.00 -1.16 0.00 0.00 32.46 31.43 3ie0 n ARG 284 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3ie0 s PRO 285 N -1.08 0.01 0.25 5.56 0.04 -1.26 -4.88 135.00 133.65 3ie0 s PRO 285 Ca 0.35 1.24 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 3ie0 s PRO 285 Cb 0.14 -1.63 -0.12 0.00 0.04 0.00 0.00 34.50 32.93 3ie0 s PRO 285 CO -0.12 -3.22 1.65 0.00 0.04 0.00 0.00 177.00 175.35 3ie0 s ALA 286 N -2.54 3.83 -0.56 8.56 0.00 -1.26 -2.74 121.76 127.05 3ie0 s ALA 286 Ca 0.68 1.58 0.00 0.00 0.00 0.00 0.00 51.96 54.22 3ie0 s ALA 286 Cb -0.24 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.21 3ie0 s ALA 286 CO 0.61 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.83 3ie0 n GLY 287 N 2.96 0.27 3.67 0.00 0.00 -1.26 -4.65 105.19 106.19 3ie0 n GLY 287 Ca 0.12 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 3ie0 n GLY 287 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ie0 s LEU 288 N -1.71 4.19 0.03 0.99 2.96 -1.11 -1.60 118.68 122.44 3ie0 s LEU 288 Ca 0.00 1.55 0.07 0.00 -0.22 0.00 0.00 54.13 55.54 3ie0 s LEU 288 Cb 0.00 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 3ie0 s LEU 288 CO 0.00 -0.59 -0.20 -0.70 -1.32 0.00 0.00 176.35 173.54 3ie0 s GLU 289 N 2.65 2.05 -0.53 1.98 2.56 -0.12 -4.95 118.70 122.35 3ie0 s GLU 289 Ca 0.49 -0.98 0.00 0.00 0.00 0.00 0.00 54.97 54.48 3ie0 s GLU 289 Cb -0.19 -2.15 0.14 0.00 2.00 0.00 0.00 34.13 33.92 3ie0 s GLU 289 CO 0.14 0.54 0.31 0.08 -0.56 0.00 0.00 175.26 175.77 3ie0 s VAL 290 N -0.87 3.13 -0.02 3.70 1.01 -1.26 -0.23 120.40 125.86 3ie0 s VAL 290 Ca 0.14 -2.89 -0.30 0.00 0.00 0.00 0.00 61.98 58.93 3ie0 s VAL 290 Cb -0.10 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 3ie0 s VAL 290 CO 0.04 -0.80 1.91 -0.69 0.00 0.00 0.00 175.10 175.57 3ie0 s VAL 291 N 0.13 3.16 -0.06 2.92 1.01 -1.16 -4.92 120.40 121.49 3ie0 s VAL 291 Ca 0.15 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 3ie0 s VAL 291 Cb -0.22 -3.14 -0.28 0.00 0.00 0.00 0.00 36.38 32.74 3ie0 s VAL 291 CO -0.03 -0.03 0.61 -0.33 0.00 0.00 0.00 175.10 175.32 3ie0 h GLU 292 N 10.86 0.28 -5.32 2.72 4.39 -1.94 -3.32 114.58 122.25 3ie0 h GLU 292 Ca -0.46 -0.47 -0.53 0.00 0.34 0.00 0.00 59.36 58.24 3ie0 h GLU 292 Cb 1.22 0.18 -0.14 0.00 -0.10 0.00 0.00 28.75 29.91 3ie0 h GLU 292 CO 0.95 1.15 -0.59 -1.01 -1.16 0.00 0.00 179.01 178.34 3ie0 s HIS 293 N -2.58 2.09 0.12 4.33 3.76 -1.26 -4.67 115.29 117.07 3ie0 s HIS 293 Ca -0.15 -0.91 -0.31 0.00 -0.15 0.00 0.00 55.06 53.54 3ie0 s HIS 293 Cb 0.06 -1.42 -0.10 0.00 1.11 0.00 0.00 32.58 32.24 3ie0 s HIS 293 CO 0.82 0.11 1.57 1.15 -0.85 0.00 0.00 174.74 177.55 3ie0 h THR 294 N 1.96 0.10 -0.58 1.30 2.02 -1.98 -2.21 112.91 113.51 3ie0 h THR 294 Ca -0.41 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.87 3ie0 h THR 294 Cb 1.25 0.10 -0.11 0.00 -1.74 0.00 0.00 68.15 67.65 3ie0 h THR 294 CO 0.72 0.00 -0.36 -0.33 0.37 0.00 0.00 175.52 175.92 3ie0 h GLU 295 N -0.61 -0.18 -0.25 6.66 3.07 -1.99 0.39 114.58 121.67 3ie0 h GLU 295 Ca 0.04 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.85 3ie0 h GLU 295 Cb 0.68 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 3ie0 h GLU 295 CO -0.33 -0.12 -0.11 0.00 -1.40 0.00 0.00 179.01 177.05 3ie0 h ALA 296 N 0.89 1.36 -0.24 3.43 0.00 -1.98 -1.46 119.26 121.25 3ie0 h ALA 296 Ca 0.22 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ie0 h ALA 296 Cb 0.56 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ie0 h ALA 296 CO -0.68 0.44 -0.01 1.03 0.00 0.00 0.00 179.25 180.03 3ie0 h SER 297 N 0.38 0.42 -0.03 0.00 0.87 0.01 -2.98 113.55 112.22 3ie0 h SER 297 Ca 0.08 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 3ie0 h SER 297 Cb 0.43 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3ie0 h SER 297 CO 0.02 0.64 0.02 0.11 -0.53 0.00 0.00 176.83 177.09 3ie0 h LYS 298 N 0.19 0.04 -1.12 2.24 1.79 -0.24 -2.75 116.57 116.72 3ie0 h LYS 298 Ca 0.07 -0.01 0.39 0.00 -2.18 0.00 0.00 60.65 58.92 3ie0 h LYS 298 Cb 0.43 -0.01 -0.15 0.00 -1.58 0.00 0.00 32.23 30.92 3ie0 h LYS 298 CO 0.01 0.12 0.67 0.00 -1.08 0.00 0.00 179.45 179.17 3ie0 h ALA 299 N 0.92 2.32 -0.10 3.86 0.00 -1.19 0.82 119.26 125.90 3ie0 h ALA 299 Ca 0.01 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3ie0 h ALA 299 Cb 0.09 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ie0 h ALA 299 CO -0.00 -0.99 0.07 -0.07 0.00 0.00 0.00 179.25 178.26 3ie0 h LEU 300 N 0.14 0.00 -0.69 0.00 3.38 -1.33 -2.17 115.31 114.63 3ie0 h LEU 300 Ca 0.80 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.73 3ie0 h LEU 300 Cb 2.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.90 3ie0 h LEU 300 CO -0.58 0.00 0.26 0.78 0.09 0.00 0.00 178.44 179.00 3ie0 h ASN 301 N 0.00 0.97 0.87 -0.43 2.35 0.55 -2.96 115.58 116.93 3ie0 h ASN 301 Ca 0.05 -0.18 -0.17 0.00 -0.55 0.00 0.00 56.30 55.45 3ie0 h ASN 301 Cb 0.19 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3ie0 h ASN 301 CO -0.00 0.88 -0.82 0.03 -1.65 0.00 0.00 177.43 175.88 3ie0 h ARG 302 N 0.99 0.00 -7.10 0.81 3.08 -1.49 -3.46 114.38 107.20 3ie0 h ARG 302 Ca 0.23 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.76 3ie0 h ARG 302 Cb 0.23 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.38 3ie0 h ARG 302 CO -0.02 0.82 0.45 0.00 -1.07 0.00 0.00 179.97 180.15 3ie0 s ALA 303 N -3.09 2.58 0.45 0.04 0.00 -0.91 -5.03 121.76 115.81 3ie0 s ALA 303 Ca 0.00 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 52.77 3ie0 s ALA 303 Cb 0.11 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 3ie0 s ALA 303 CO 0.79 -1.04 0.82 -1.25 0.00 0.00 0.00 175.76 175.07 3ie0 s PRO 304 N -3.38 3.73 0.00 0.00 0.04 -1.26 -4.98 135.00 129.14 3ie0 s PRO 304 Ca 0.75 0.48 0.00 0.00 0.04 0.00 0.00 61.00 62.27 3ie0 s PRO 304 Cb -0.27 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 31.93 3ie0 s PRO 304 CO 0.32 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.63 3ie0 n GLY 305 N -1.65 -1.22 3.81 0.56 0.00 -1.19 -4.81 105.19 100.70 3ie0 n GLY 305 Ca 0.03 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 3ie0 n GLY 305 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ie0 s PRO 306 N -2.95 3.71 0.02 1.61 0.04 -1.17 -4.86 135.00 131.41 3ie0 s PRO 306 Ca 0.00 1.19 -0.28 0.00 0.04 0.00 0.00 61.00 61.95 3ie0 s PRO 306 Cb 0.00 -2.09 0.10 0.00 0.04 0.00 0.00 34.50 32.55 3ie0 s PRO 306 CO 0.00 -0.49 0.92 0.00 0.04 0.00 0.00 177.00 177.47 3ie0 s MET 307 N -3.71 0.86 -0.06 4.56 0.23 -1.15 -4.35 119.30 115.68 3ie0 s MET 307 Ca 0.64 -0.36 0.04 0.00 -1.03 0.00 0.00 55.69 54.98 3ie0 s MET 307 Cb -0.14 0.37 -0.00 0.00 -1.53 0.00 0.00 34.83 33.53 3ie0 s MET 307 CO 0.28 -0.38 -0.18 0.08 -2.03 0.00 0.00 175.02 172.78 3ie0 s VAL 308 N -3.11 1.57 -0.05 5.16 1.01 -0.94 -0.91 120.40 123.14 3ie0 s VAL 308 Ca 0.07 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.30 3ie0 s VAL 308 Cb -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 35.01 3ie0 s VAL 308 CO -0.07 0.45 -0.13 -0.69 0.00 0.00 0.00 175.10 174.66 3ie0 s VAL 309 N 0.20 1.15 -0.14 2.92 1.01 0.26 -0.79 120.40 125.00 3ie0 s VAL 309 Ca -0.09 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3ie0 s VAL 309 Cb -0.14 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.24 3ie0 s VAL 309 CO 0.04 0.35 -0.20 -0.76 0.00 0.00 0.00 175.10 174.53 3ie0 s LEU 310 N 0.32 2.01 0.08 3.92 1.02 -0.37 -0.38 118.68 125.28 3ie0 s LEU 310 Ca -0.08 -0.57 -0.19 0.00 0.02 0.00 0.00 54.13 53.31 3ie0 s LEU 310 Cb -0.12 -1.37 0.04 0.00 0.02 0.00 0.00 46.19 44.76 3ie0 s LEU 310 CO 0.02 0.04 0.44 0.00 0.02 0.00 0.00 176.35 176.87 3ie0 s ALA 311 N 1.01 -1.08 0.54 4.21 0.00 -1.09 -0.59 121.76 124.77 3ie0 s ALA 311 Ca -0.03 0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.25 3ie0 s ALA 311 Cb -0.15 0.49 0.07 0.00 0.00 0.00 0.00 23.12 23.54 3ie0 s ALA 311 CO -0.05 -0.54 0.57 0.41 0.00 0.00 0.00 175.76 176.15 3ie0 n GLY 312 N 0.20 2.38 3.73 0.00 0.00 -1.23 -0.74 105.19 109.53 3ie0 n GLY 312 Ca -0.18 -2.26 -0.35 0.00 0.00 0.00 0.00 46.02 43.23 3ie0 n GLY 312 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ie0 s SER 313 N -4.26 4.43 0.16 1.61 0.01 0.36 -1.47 113.70 114.54 3ie0 s SER 313 Ca 0.43 2.41 0.18 0.00 1.31 0.00 0.00 55.95 60.28 3ie0 s SER 313 Cb -0.03 -2.60 0.80 0.00 0.21 0.00 0.00 66.02 64.40 3ie0 s SER 313 CO 0.28 -2.10 1.56 0.61 0.41 0.00 0.00 173.24 173.99 3ie0 n GLY 314 N 0.50 -1.06 0.72 3.44 0.00 -1.22 -2.32 105.19 105.25 3ie0 n GLY 314 Ca 0.14 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.26 3ie0 n GLY 314 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ie0 n MET 315 N -1.95 1.51 -1.43 1.61 2.81 -1.26 -4.54 117.12 113.88 3ie0 n MET 315 Ca 0.02 -3.22 -0.11 0.00 -1.81 0.00 0.00 57.70 52.58 3ie0 n MET 315 Cb 0.16 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.13 3ie0 n MET 315 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3ie0 n LEU 316 N -0.97 -0.80 0.25 4.03 4.77 -0.98 -4.73 117.00 118.58 3ie0 n LEU 316 Ca 0.19 0.26 0.17 0.00 -0.03 0.00 0.00 56.01 56.60 3ie0 n LEU 316 Cb 0.74 -1.74 0.76 0.00 -2.33 0.00 0.00 43.42 40.85 3ie0 n LEU 316 CO -0.03 -0.51 1.00 0.00 -1.33 0.00 0.00 177.39 176.52 3ie0 h ALA 317 N 0.99 1.00 0.00 -1.18 0.00 -1.94 -3.46 119.26 114.68 3ie0 h ALA 317 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3ie0 h ALA 317 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3ie0 h ALA 317 CO 0.32 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.98 3ie0 n GLY 318 N -0.30 -1.11 0.25 0.00 0.00 -1.26 -5.01 105.19 97.76 3ie0 n GLY 318 Ca -0.00 -1.08 0.03 0.00 0.00 0.00 0.00 46.02 44.97 3ie0 n GLY 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie0 n GLY 319 N 0.00 -2.15 0.42 -0.02 0.00 -1.26 -0.49 105.19 101.70 3ie0 n GLY 319 Ca 0.00 -1.42 0.36 0.00 0.00 0.00 0.00 46.02 44.96 3ie0 n GLY 319 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie0 n ARG 320 N -2.77 -0.03 0.12 1.61 1.74 -1.21 -1.11 116.66 115.01 3ie0 n ARG 320 Ca -0.01 1.11 0.16 0.00 -0.77 0.00 0.00 57.85 58.34 3ie0 n ARG 320 Cb 0.12 -2.19 0.72 0.00 -1.02 0.00 0.00 32.46 30.09 3ie0 n ARG 320 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3ie0 h ILE 321 N 0.00 0.72 -0.44 0.55 6.09 -1.48 -1.84 117.51 121.11 3ie0 h ILE 321 Ca 0.78 0.00 -0.09 0.00 -1.37 0.00 0.00 64.86 64.19 3ie0 h ILE 321 Cb 2.54 0.83 -0.01 0.00 0.47 0.00 0.00 36.82 40.64 3ie0 h ILE 321 CO -0.40 0.00 -0.06 -0.07 -3.07 0.00 0.00 178.15 174.55 3ie0 h LEU 322 N 0.00 0.81 -1.31 2.19 3.38 -1.36 -0.59 115.31 118.43 3ie0 h LEU 322 Ca 0.14 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3ie0 h LEU 322 Cb 0.61 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3ie0 h LEU 322 CO -0.00 0.96 -0.07 0.45 0.09 0.00 0.00 178.44 179.87 3ie0 h HIS 323 N 0.64 0.39 -0.14 1.13 3.86 -1.52 0.43 115.15 119.94 3ie0 h HIS 323 Ca 0.12 -0.04 -0.19 0.00 -1.16 0.00 0.00 60.37 59.09 3ie0 h HIS 323 Cb 0.58 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.94 3ie0 h HIS 323 CO 0.05 0.45 -0.71 0.45 0.86 0.00 0.00 177.93 179.03 3ie0 h HIS 324 N 0.36 0.79 -0.33 2.45 3.86 -1.14 -3.00 115.15 118.14 3ie0 h HIS 324 Ca 0.08 -0.34 -0.06 0.00 -1.16 0.00 0.00 60.37 58.89 3ie0 h HIS 324 Cb 0.36 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3ie0 h HIS 324 CO 0.01 1.12 -0.01 -0.07 0.86 0.00 0.00 177.93 179.84 3ie0 h LEU 325 N 0.42 0.58 -1.52 2.43 4.07 -0.47 0.15 115.31 120.97 3ie0 h LEU 325 Ca -0.03 -0.32 0.07 0.00 0.08 0.00 0.00 57.88 57.68 3ie0 h LEU 325 Cb 1.30 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.85 3ie0 h LEU 325 CO 0.13 0.76 0.41 0.50 -1.08 0.00 0.00 178.44 179.16 3ie0 h LYS 326 N 0.39 0.57 0.00 1.13 3.64 -0.15 -1.17 116.57 120.98 3ie0 h LYS 326 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3ie0 h LYS 326 Cb 0.47 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3ie0 h LYS 326 CO 0.02 0.37 -0.82 0.72 -2.27 0.00 0.00 179.45 177.48 3ie0 n HIS 327 N -4.48 0.00 -0.03 1.91 8.25 -1.14 -4.61 115.22 115.13 3ie0 n HIS 327 Ca 0.09 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.57 3ie0 n HIS 327 Cb 0.25 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.23 3ie0 n HIS 327 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ie0 n GLY 328 N 1.39 -0.60 0.28 -1.41 0.00 0.53 -4.53 105.19 100.84 3ie0 n GLY 328 Ca 0.02 -0.27 0.18 0.00 0.00 0.00 0.00 46.02 45.96 3ie0 n GLY 328 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ie0 h LEU 329 N 0.00 0.00 -0.84 0.99 5.85 -1.38 -3.00 115.31 116.93 3ie0 h LEU 329 Ca -0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3ie0 h LEU 329 Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3ie0 h LEU 329 CO 0.01 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 176.57 3ie0 n SER 330 N -2.95 1.30 -4.34 1.25 3.41 -1.24 -1.85 113.62 109.20 3ie0 n SER 330 Ca -0.01 -1.43 -0.35 0.00 -0.26 0.00 0.00 58.87 56.82 3ie0 n SER 330 Cb 0.20 -0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.01 3ie0 n SER 330 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ie0 s ASP 331 N -2.00 4.45 0.20 4.04 3.68 -1.13 -4.63 116.67 121.28 3ie0 s ASP 331 Ca 0.39 -0.35 0.15 0.00 2.13 0.00 0.00 52.55 54.88 3ie0 s ASP 331 Cb 0.21 -1.77 0.78 0.00 -1.45 0.00 0.00 42.92 40.70 3ie0 s ASP 331 CO 0.34 -0.01 1.47 -0.81 0.13 0.00 0.00 175.17 176.29 3ie0 n PRO 332 N 4.71 0.10 0.18 4.34 -0.04 -1.26 -2.22 135.00 140.80 3ie0 n PRO 332 Ca -0.18 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 3ie0 n PRO 332 Cb 0.51 -1.79 0.22 0.00 -0.04 0.00 0.00 33.50 32.40 3ie0 n PRO 332 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ie0 h ARG 333 N 0.00 0.00 0.00 0.54 3.08 -1.93 -3.40 114.38 112.66 3ie0 h ARG 333 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 3ie0 h ARG 333 Cb 0.06 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.24 3ie0 h ARG 333 CO 0.00 0.00 0.29 0.09 -1.07 0.00 0.00 179.97 179.28 3ie0 n ASN 334 N -2.81 0.41 -3.68 7.04 3.02 -0.94 -4.37 115.26 113.93 3ie0 n ASN 334 Ca 0.04 -1.59 -0.11 0.00 -0.03 0.00 0.00 54.58 52.89 3ie0 n ASN 334 Cb 0.50 -0.79 -0.09 0.00 -0.61 0.00 0.00 39.78 38.79 3ie0 n ASN 334 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ie0 s ALA 335 N -3.72 -1.33 -0.22 5.41 0.00 -0.87 -2.73 121.76 118.29 3ie0 s ALA 335 Ca 0.63 1.70 -0.10 0.00 0.00 0.00 0.00 51.96 54.19 3ie0 s ALA 335 Cb -0.02 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 3ie0 s ALA 335 CO 0.44 -0.28 0.13 -1.17 0.00 0.00 0.00 175.76 174.87 3ie0 s LEU 336 N 0.96 4.00 -0.23 0.00 0.20 0.16 -0.44 118.68 123.34 3ie0 s LEU 336 Ca -0.06 0.09 0.02 0.00 0.69 0.00 0.00 54.13 54.87 3ie0 s LEU 336 Cb -0.06 -2.06 0.05 0.00 -0.43 0.00 0.00 46.19 43.70 3ie0 s LEU 336 CO -0.08 0.09 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.28 3ie0 s VAL 337 N 0.88 1.87 0.10 1.68 1.01 0.15 -0.16 120.40 125.92 3ie0 s VAL 337 Ca 0.06 -1.33 -0.25 0.00 0.00 0.00 0.00 61.98 60.47 3ie0 s VAL 337 Cb -0.13 -1.99 -0.07 0.00 0.00 0.00 0.00 36.38 34.19 3ie0 s VAL 337 CO 0.03 0.04 0.75 -0.36 0.00 0.00 0.00 175.10 175.56 3ie0 s PHE 338 N 1.26 3.81 0.00 5.22 0.08 -0.12 -4.01 117.98 124.23 3ie0 s PHE 338 Ca -0.05 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.52 3ie0 s PHE 338 Cb -0.18 -2.77 0.00 0.00 -0.57 0.00 0.00 43.02 39.50 3ie0 s PHE 338 CO -0.07 0.40 0.61 1.33 -0.10 0.00 0.00 175.22 177.40 3ie0 n VAL 339 N 2.20 0.35 -4.41 -0.44 0.24 -1.26 -1.57 118.33 113.45 3ie0 n VAL 339 Ca -0.05 -0.40 -0.22 0.00 -2.04 0.00 0.00 64.34 61.64 3ie0 n VAL 339 Cb 0.50 0.95 -0.09 0.00 -1.47 0.00 0.00 33.84 33.72 3ie0 n VAL 339 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ie0 s GLY 340 N -0.35 2.28 -0.07 7.63 0.00 -1.26 -4.15 107.32 111.40 3ie0 s GLY 340 Ca 0.00 -1.62 -0.20 0.00 0.00 0.00 0.00 44.72 42.91 3ie0 s GLY 340 CO 0.00 -1.69 0.55 -0.47 0.00 0.00 0.00 173.10 171.49 3ie0 s TYR 341 N -3.42 3.58 -0.30 1.90 6.14 -1.26 -4.96 117.35 119.03 3ie0 s TYR 341 Ca 0.32 1.05 -0.10 0.00 0.64 0.00 0.00 57.07 58.97 3ie0 s TYR 341 Cb 0.04 -2.60 -0.02 0.00 0.42 0.00 0.00 41.96 39.80 3ie0 s TYR 341 CO 0.17 0.22 0.16 -0.65 0.64 0.00 0.00 175.55 176.10 3ie0 s GLN 342 N 0.36 3.58 1.20 4.97 -1.52 -1.26 -4.88 119.66 122.11 3ie0 s GLN 342 Ca 0.29 -0.56 -0.14 0.00 -1.95 0.00 0.00 55.36 53.01 3ie0 s GLN 342 Cb -0.16 -3.59 0.30 0.00 -0.22 0.00 0.00 33.01 29.34 3ie0 s GLN 342 CO 0.14 -0.32 1.02 -1.25 -0.25 0.00 0.00 175.29 174.63 3ie0 s PRO 343 N 1.67 -1.19 0.36 2.91 0.04 -1.26 -4.83 135.00 132.71 3ie0 s PRO 343 Ca 0.06 0.74 -0.25 0.00 0.04 0.00 0.00 61.00 61.59 3ie0 s PRO 343 Cb -0.16 -1.53 -0.10 0.00 0.04 0.00 0.00 34.50 32.75 3ie0 s PRO 343 CO 0.08 -3.88 1.00 -0.65 0.04 0.00 0.00 177.00 173.59 3ie0 s GLN 344 N -4.50 4.38 -0.81 4.56 -1.52 -1.26 -3.91 119.66 116.61 3ie0 s GLN 344 Ca 0.69 1.43 0.00 0.00 -1.95 0.00 0.00 55.36 55.53 3ie0 s GLN 344 Cb -0.24 -2.68 0.00 0.00 -0.22 0.00 0.00 33.01 29.87 3ie0 s GLN 344 CO 0.64 0.07 0.00 0.41 -0.25 0.00 0.00 175.29 176.17 3ie0 n GLY 345 N 0.44 0.18 3.74 3.09 0.00 -1.26 -5.03 105.19 106.36 3ie0 n GLY 345 Ca 0.03 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 3ie0 n GLY 345 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ie0 s GLY 346 N -2.64 2.55 0.31 -0.02 0.00 -1.25 -5.01 107.32 101.26 3ie0 s GLY 346 Ca 0.00 -1.60 0.02 0.00 0.00 0.00 0.00 44.72 43.13 3ie0 s GLY 346 CO 0.00 -2.03 1.92 -2.00 0.00 0.00 0.00 173.10 170.99 3ie0 h LEU 347 N 1.38 0.85 0.08 0.66 5.85 -1.88 -1.53 115.31 120.72 3ie0 h LEU 347 Ca -0.42 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.31 3ie0 h LEU 347 Cb 1.27 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3ie0 h LEU 347 CO 0.71 0.55 -0.13 1.23 -0.34 0.00 0.00 178.44 180.47 3ie0 h GLY 348 N 0.97 -0.22 1.02 3.75 0.00 -1.90 0.14 103.07 106.82 3ie0 h GLY 348 Ca 0.38 0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.85 3ie0 h GLY 348 CO -0.14 -0.13 0.54 0.00 0.00 0.00 0.00 176.54 176.81 3ie0 h ALA 349 N 0.64 1.14 -0.61 3.60 0.00 -1.69 0.13 119.26 122.46 3ie0 h ALA 349 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ie0 h ALA 349 Cb 0.27 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3ie0 h ALA 349 CO -0.07 0.60 0.40 1.49 0.00 0.00 0.00 179.25 181.68 3ie0 h GLU 350 N 1.23 0.80 -0.46 0.00 4.81 -0.78 -0.83 114.58 119.35 3ie0 h GLU 350 Ca 0.32 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 3ie0 h GLU 350 Cb -0.05 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 3ie0 h GLU 350 CO -0.06 0.53 -0.12 0.82 -0.73 0.00 0.00 179.01 179.45 3ie0 h ILE 351 N 0.82 1.27 0.00 2.32 2.04 -0.10 -2.64 117.51 121.23 3ie0 h ILE 351 Ca 0.23 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 3ie0 h ILE 351 Cb -0.08 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3ie0 h ILE 351 CO -0.06 0.42 -0.04 0.40 0.00 0.00 0.00 178.15 178.88 3ie0 h ILE 352 N 0.72 0.80 0.00 -0.67 2.04 -0.25 -0.18 117.51 119.97 3ie0 h ILE 352 Ca 0.12 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 3ie0 h ILE 352 Cb 0.66 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3ie0 h ILE 352 CO 0.05 0.04 -0.22 0.00 0.00 0.00 0.00 178.15 178.02 3ie0 h ALA 353 N 1.96 1.07 -2.81 1.87 0.00 -0.78 -3.48 119.26 117.10 3ie0 h ALA 353 Ca -0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 3ie0 h ALA 353 Cb 0.08 -0.03 0.05 0.00 0.00 0.00 0.00 17.79 17.88 3ie0 h ALA 353 CO 0.01 0.27 -0.23 -2.13 0.00 0.00 0.00 179.25 177.16 3ie0 n ARG 354 N -3.46 -2.47 -0.62 0.00 3.00 -0.08 -5.04 116.66 108.00 3ie0 n ARG 354 Ca -0.00 0.28 -0.30 0.00 -0.00 0.00 0.00 57.85 57.83 3ie0 n ARG 354 Cb 0.39 -3.61 0.26 0.00 0.00 0.00 0.00 32.46 29.50 3ie0 n ARG 354 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3ie0 s PRO 355 N -5.08 -1.88 0.50 -0.14 0.04 -1.26 -4.87 135.00 122.31 3ie0 s PRO 355 Ca 0.13 0.29 0.29 0.00 0.04 0.00 0.00 61.00 61.75 3ie0 s PRO 355 Cb -0.06 -1.49 1.00 0.00 0.04 0.00 0.00 34.50 34.00 3ie0 s PRO 355 CO 0.24 -4.22 1.85 -1.00 0.04 0.00 0.00 177.00 173.91 3ie0 h PRO 356 N -2.96 0.00 -2.72 0.56 0.13 -1.96 -3.43 132.00 121.63 3ie0 h PRO 356 Ca -0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 3ie0 h PRO 356 Cb 1.33 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.28 3ie0 h PRO 356 CO 0.38 0.03 -0.06 0.00 -0.23 0.00 0.00 178.00 178.12 3ie0 s ALA 357 N -3.52 -1.19 0.20 -0.56 0.00 -1.26 -1.85 121.76 113.58 3ie0 s ALA 357 Ca 0.03 0.62 0.10 0.00 0.00 0.00 0.00 51.96 52.71 3ie0 s ALA 357 Cb 0.08 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 3ie0 s ALA 357 CO 0.59 -0.38 -0.19 0.08 0.00 0.00 0.00 175.76 175.86 3ie0 s VAL 358 N -1.78 2.04 -0.24 0.00 1.01 0.86 -4.89 120.40 117.40 3ie0 s VAL 358 Ca -0.09 -2.10 -0.05 0.00 0.00 0.00 0.00 61.98 59.74 3ie0 s VAL 358 Cb -0.02 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 3ie0 s VAL 358 CO 0.03 -0.35 -0.00 -0.60 0.00 0.00 0.00 175.10 174.17 3ie0 s ARG 359 N -3.09 3.39 -0.04 2.72 3.52 -1.26 0.14 118.95 124.32 3ie0 s ARG 359 Ca 0.21 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 55.20 3ie0 s ARG 359 Cb -0.05 -3.12 0.02 0.00 -1.56 0.00 0.00 34.95 30.23 3ie0 s ARG 359 CO 0.09 -0.23 -0.06 0.42 -0.81 0.00 0.00 175.30 174.71 3ie0 s ILE 360 N 1.51 0.60 -1.21 4.11 1.01 -0.60 -4.88 121.20 121.73 3ie0 s ILE 360 Ca 0.05 -0.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.33 3ie0 s ILE 360 Cb -0.15 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.72 3ie0 s ILE 360 CO -0.01 0.23 0.69 0.18 0.00 0.00 0.00 174.94 176.03 3ie0 n LEU 361 N 3.87 -2.25 -3.24 2.97 4.77 -1.26 -2.32 117.00 119.55 3ie0 n LEU 361 Ca -0.24 -1.07 -0.23 0.00 -0.03 0.00 0.00 56.01 54.44 3ie0 n LEU 361 Cb 0.52 -2.22 0.02 0.00 -2.33 0.00 0.00 43.42 39.41 3ie0 n LEU 361 CO 0.24 0.52 -0.01 0.61 -1.33 0.00 0.00 177.39 177.43 3ie0 n GLY 362 N -1.83 -0.51 3.20 -0.72 0.00 -1.26 -4.98 105.19 99.09 3ie0 n GLY 362 Ca -0.15 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 3ie0 n GLY 362 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ie0 s GLU 363 N -5.91 0.36 -0.19 1.61 2.56 -0.98 -5.12 118.70 111.03 3ie0 s GLU 363 Ca 0.37 0.46 -0.27 0.00 0.00 0.00 0.00 54.97 55.54 3ie0 s GLU 363 Cb -0.18 0.15 -0.01 0.00 2.00 0.00 0.00 34.13 36.09 3ie0 s GLU 363 CO 0.46 -0.06 0.90 -1.21 -0.56 0.00 0.00 175.26 174.79 3ie0 s GLU 364 N 0.30 4.28 -0.28 4.30 0.41 -1.26 -1.56 118.70 124.88 3ie0 s GLU 364 Ca -0.01 1.13 -0.04 0.00 -0.41 0.00 0.00 54.97 55.64 3ie0 s GLU 364 Cb -0.03 -3.60 0.02 0.00 -1.78 0.00 0.00 34.13 28.74 3ie0 s GLU 364 CO -0.01 -0.44 0.02 0.08 -0.49 0.00 0.00 175.26 174.42 3ie0 s VAL 365 N 2.55 3.41 0.49 2.63 1.01 0.36 -4.94 120.40 125.91 3ie0 s VAL 365 Ca 0.40 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 3ie0 s VAL 365 Cb -0.16 -2.80 -0.07 0.00 0.00 0.00 0.00 36.38 33.35 3ie0 s VAL 365 CO 0.10 0.06 1.29 -2.65 0.00 0.00 0.00 175.10 173.90 3ie0 n PRO 366 N 4.75 1.75 -3.66 2.72 -0.02 -1.26 -0.10 135.00 139.19 3ie0 n PRO 366 Ca -0.15 0.64 -0.39 0.00 -2.02 0.00 0.00 63.50 61.58 3ie0 n PRO 366 Cb 0.47 -2.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.39 3ie0 n PRO 366 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ie0 s LEU 367 N -2.52 5.49 -0.07 2.45 2.96 -0.77 -3.65 118.68 122.57 3ie0 s LEU 367 Ca 0.67 -2.08 0.02 0.00 -0.22 0.00 0.00 54.13 52.52 3ie0 s LEU 367 Cb -0.46 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.26 3ie0 s LEU 367 CO 0.53 -0.59 -0.05 0.54 -1.32 0.00 0.00 176.35 175.46 3ie0 n ARG 368 N 4.61 0.82 -1.60 1.98 1.74 -0.83 -4.87 116.66 118.52 3ie0 n ARG 368 Ca -0.03 0.03 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 3ie0 n ARG 368 Cb 0.41 -1.15 0.03 0.00 -1.02 0.00 0.00 32.46 30.73 3ie0 n ARG 368 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ie0 n ALA 369 N -2.61 0.03 -1.77 7.54 0.00 -0.77 -4.42 120.51 118.52 3ie0 n ALA 369 Ca -0.13 0.10 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 3ie0 n ALA 369 Cb 0.65 -2.06 -0.05 0.00 0.00 0.00 0.00 19.45 17.99 3ie0 n ALA 369 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ie0 s SER 370 N -1.01 7.24 -0.09 0.00 1.04 -1.11 -4.85 113.70 114.93 3ie0 s SER 370 Ca 0.69 2.07 0.01 0.00 0.48 0.00 0.00 55.95 59.20 3ie0 s SER 370 Cb -0.48 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.02 3ie0 s SER 370 CO 0.52 -0.15 -0.13 -0.69 0.98 0.00 0.00 173.24 173.77 3ie0 s VAL 371 N -1.37 3.08 0.09 5.02 1.01 -1.26 0.40 120.40 127.37 3ie0 s VAL 371 Ca 0.48 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.83 3ie0 s VAL 371 Cb -0.26 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3ie0 s VAL 371 CO 0.33 0.55 -0.13 -1.00 0.00 0.00 0.00 175.10 174.85 3ie0 s HIS 372 N -0.14 1.18 -0.22 5.22 3.76 0.77 -4.94 115.29 120.92 3ie0 s HIS 372 Ca -0.01 -0.54 -0.01 0.00 -0.15 0.00 0.00 55.06 54.36 3ie0 s HIS 372 Cb -0.14 -0.65 0.06 0.00 1.11 0.00 0.00 32.58 32.97 3ie0 s HIS 372 CO 0.03 0.05 -0.02 0.99 -0.85 0.00 0.00 174.74 174.95 3ie0 s THR 373 N -1.79 1.15 -1.03 1.30 2.01 -1.26 -0.94 115.64 115.07 3ie0 s THR 373 Ca 0.02 -0.99 -0.05 0.00 0.31 0.00 0.00 61.69 60.98 3ie0 s THR 373 Cb -0.07 -1.52 0.28 0.00 0.01 0.00 0.00 72.50 71.20 3ie0 s THR 373 CO 0.02 -0.16 1.21 0.18 -0.69 0.00 0.00 174.62 175.17 3ie0 n LEU 374 N 4.81 5.61 0.08 4.42 4.77 -0.61 -4.85 117.00 131.23 3ie0 n LEU 374 Ca -0.11 -5.17 0.04 0.00 -0.03 0.00 0.00 56.01 50.75 3ie0 n LEU 374 Cb 0.45 -1.27 0.22 0.00 -2.33 0.00 0.00 43.42 40.49 3ie0 n LEU 374 CO 0.16 1.59 0.65 0.61 -1.33 0.00 0.00 177.39 179.07 3ie0 n GLY 375 N 1.87 -0.54 0.28 -0.72 0.00 -1.26 -1.97 105.19 102.84 3ie0 n GLY 375 Ca 0.25 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.44 3ie0 n GLY 375 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ie0 h GLY 376 N 0.00 0.10 -0.29 -0.02 0.00 -1.85 -1.80 103.07 99.21 3ie0 h GLY 376 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3ie0 h GLY 376 CO 0.00 0.03 0.00 0.69 0.00 0.00 0.00 176.54 177.26 3ie0 n PHE 377 N -4.51 0.15 -2.06 5.60 3.01 -0.83 -4.66 117.46 114.15 3ie0 n PHE 377 Ca -0.00 -0.07 -0.41 0.00 1.01 0.00 0.00 57.45 57.97 3ie0 n PHE 377 Cb 0.16 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.60 3ie0 n PHE 377 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3ie0 s TYR 378 N -1.85 3.06 -2.23 1.38 4.12 -0.68 -4.79 117.35 116.35 3ie0 s TYR 378 Ca 0.20 1.13 0.22 0.00 0.02 0.00 0.00 57.07 58.63 3ie0 s TYR 378 Cb 0.10 -3.76 0.93 0.00 -1.52 0.00 0.00 41.96 37.71 3ie0 s TYR 378 CO 0.15 -2.40 1.65 0.41 0.02 0.00 0.00 175.55 175.38 3ie0 n GLY 379 N 1.96 -0.10 3.75 0.71 0.00 -1.26 -4.74 105.19 105.50 3ie0 n GLY 379 Ca 0.05 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 3ie0 n GLY 379 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ie0 s HIS 380 N -1.88 2.73 0.26 1.61 3.76 -1.26 -3.49 115.29 117.02 3ie0 s HIS 380 Ca 0.33 -0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.55 3ie0 s HIS 380 Cb 0.17 -1.69 -0.11 0.00 1.11 0.00 0.00 32.58 32.06 3ie0 s HIS 380 CO 0.27 0.30 1.52 0.00 -0.85 0.00 0.00 174.74 175.97 3ie0 s ALA 381 N -2.42 3.69 1.00 -1.40 0.00 0.20 -4.14 121.76 118.69 3ie0 s ALA 381 Ca 0.39 1.43 -0.14 0.00 0.00 0.00 0.00 51.96 53.63 3ie0 s ALA 381 Cb -0.03 -3.60 0.19 0.00 0.00 0.00 0.00 23.12 19.68 3ie0 s ALA 381 CO 0.23 -0.84 1.15 0.20 0.00 0.00 0.00 175.76 176.50 3ie0 s GLY 382 N 0.50 1.61 0.16 0.00 0.00 -1.26 -4.32 107.32 104.00 3ie0 s GLY 382 Ca 0.62 -0.71 -0.15 0.00 0.00 0.00 0.00 44.72 44.48 3ie0 s GLY 382 CO 0.44 -0.03 1.75 -1.61 0.00 0.00 0.00 173.10 173.65 3ie0 h GLN 383 N -1.84 0.29 -0.45 2.90 4.15 -0.70 0.48 115.11 119.95 3ie0 h GLN 383 Ca -0.49 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 3ie0 h GLN 383 Cb 1.31 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.91 3ie0 h GLN 383 CO 0.51 0.19 0.25 0.38 -1.93 0.00 0.00 178.83 178.24 3ie0 h ASP 384 N 0.30 0.53 0.59 -0.69 -0.00 -1.90 -0.75 116.42 114.52 3ie0 h ASP 384 Ca 0.18 -0.03 -0.19 0.00 -0.00 0.00 0.00 57.03 56.99 3ie0 h ASP 384 Cb 0.16 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.34 3ie0 h ASP 384 CO -0.18 0.43 -0.83 -0.33 -0.00 0.00 0.00 179.24 178.33 3ie0 h GLU 385 N 0.61 0.17 -0.37 4.15 5.08 -1.60 -1.85 114.58 120.76 3ie0 h GLU 385 Ca 0.16 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 3ie0 h GLU 385 Cb 0.01 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3ie0 h GLU 385 CO -0.03 0.90 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.53 3ie0 h LEU 386 N 0.10 0.89 -0.37 1.33 -0.00 -0.43 -2.07 115.31 114.76 3ie0 h LEU 386 Ca -0.03 -0.44 0.02 0.00 -0.00 0.00 0.00 57.88 57.42 3ie0 h LEU 386 Cb 1.44 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 41.83 3ie0 h LEU 386 CO 0.12 1.15 0.21 -0.07 -0.00 0.00 0.00 178.44 179.85 3ie0 h LEU 387 N 0.65 0.34 -0.78 1.67 3.38 -1.03 -1.10 115.31 118.44 3ie0 h LEU 387 Ca 0.07 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3ie0 h LEU 387 Cb 0.86 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3ie0 h LEU 387 CO 0.07 0.25 0.28 0.44 0.09 0.00 0.00 178.44 179.57 3ie0 h ASP 388 N 0.43 1.10 0.19 -0.43 3.45 -1.28 -0.55 116.42 119.34 3ie0 h ASP 388 Ca 0.15 -0.19 -0.13 0.00 0.43 0.00 0.00 57.03 57.29 3ie0 h ASP 388 Cb 0.01 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 38.49 3ie0 h ASP 388 CO -0.07 1.00 -0.48 -0.25 -1.57 0.00 0.00 179.24 177.86 3ie0 h TRP 389 N 1.14 0.42 -0.00 4.55 7.01 -1.12 -2.91 115.95 125.04 3ie0 h TRP 389 Ca 0.25 -0.13 0.00 0.00 2.11 0.00 0.00 58.89 61.12 3ie0 h TRP 389 Cb 0.26 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 3ie0 h TRP 389 CO 0.02 0.76 -0.31 1.28 -2.79 0.00 0.00 178.44 177.41 3ie0 n LEU 390 N -3.97 0.45 -4.56 0.65 4.32 -0.44 -4.54 117.00 108.90 3ie0 n LEU 390 Ca -0.02 0.08 -0.51 0.00 -0.02 0.00 0.00 56.01 55.54 3ie0 n LEU 390 Cb 0.54 -0.28 -0.05 0.00 -1.62 0.00 0.00 43.42 42.01 3ie0 n LEU 390 CO 0.44 0.10 0.72 1.67 -1.22 0.00 0.00 177.39 179.10 3ie0 n GLN 391 N -1.32 0.93 -0.55 3.23 0.00 -0.23 -1.59 117.38 117.84 3ie0 n GLN 391 Ca 0.08 0.33 0.00 0.00 -0.00 0.00 0.00 57.00 57.41 3ie0 n GLN 391 Cb 0.33 -1.85 0.00 0.00 0.00 0.00 0.00 30.24 28.72 3ie0 n GLN 391 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ie0 n GLY 392 N 2.11 1.85 3.68 1.69 0.00 -1.26 -5.01 105.19 108.25 3ie0 n GLY 392 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3ie0 n GLY 392 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie0 s GLU 393 N -0.01 4.32 0.24 1.61 0.41 -0.62 -4.95 118.70 119.71 3ie0 s GLU 393 Ca 0.00 0.83 -0.06 0.00 -0.41 0.00 0.00 54.97 55.33 3ie0 s GLU 393 Cb 0.00 -3.53 0.26 0.00 -1.78 0.00 0.00 34.13 29.08 3ie0 s GLU 393 CO 0.00 -0.16 1.92 -1.00 -0.49 0.00 0.00 175.26 175.53 3ie0 h PRO 394 N 7.17 1.26 -3.77 0.39 0.13 -1.90 -3.43 132.00 131.85 3ie0 h PRO 394 Ca -0.34 -0.08 -0.48 0.00 -0.87 0.00 0.00 66.00 64.23 3ie0 h PRO 394 Cb 1.16 -0.28 -0.38 0.00 0.13 0.00 0.00 31.00 31.62 3ie0 h PRO 394 CO 0.79 0.83 -0.77 1.03 -0.23 0.00 0.00 178.00 179.65 3ie0 s ARG 395 N -6.12 0.82 -0.20 0.86 0.52 -1.26 -1.40 118.95 112.18 3ie0 s ARG 395 Ca -0.13 -0.14 -0.02 0.00 -0.52 0.00 0.00 55.73 54.93 3ie0 s ARG 395 Cb 0.18 -1.45 0.00 0.00 0.52 0.00 0.00 34.95 34.20 3ie0 s ARG 395 CO 0.81 -0.40 -0.11 0.08 0.02 0.00 0.00 175.30 175.71 3ie0 s VAL 396 N 1.88 2.89 -0.43 3.52 1.01 0.15 -1.12 120.40 128.30 3ie0 s VAL 396 Ca 0.03 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 3ie0 s VAL 396 Cb -0.14 -2.28 0.09 0.00 0.00 0.00 0.00 36.38 34.06 3ie0 s VAL 396 CO -0.07 0.47 0.26 -0.69 0.00 0.00 0.00 175.10 175.08 3ie0 s VAL 397 N 1.28 4.02 0.46 2.92 1.01 -0.55 -1.86 120.40 127.67 3ie0 s VAL 397 Ca 0.03 -1.62 -0.23 0.00 0.00 0.00 0.00 61.98 60.17 3ie0 s VAL 397 Cb -0.14 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 3ie0 s VAL 397 CO -0.05 -0.60 1.17 -0.76 0.00 0.00 0.00 175.10 174.86 3ie0 s LEU 398 N 1.35 4.02 0.00 3.92 1.02 -0.28 -2.59 118.68 126.13 3ie0 s LEU 398 Ca 0.04 2.31 -0.01 0.00 0.02 0.00 0.00 54.13 56.49 3ie0 s LEU 398 Cb -0.24 -4.23 0.00 0.00 0.02 0.00 0.00 46.19 41.75 3ie0 s LEU 398 CO 0.00 -0.90 0.06 1.33 0.02 0.00 0.00 176.35 176.86 3ie0 n VAL 399 N -0.45 0.00 -3.80 -1.59 0.24 -0.04 -2.12 118.33 110.57 3ie0 n VAL 399 Ca 0.07 -0.17 -0.28 0.00 -2.04 0.00 0.00 64.34 61.92 3ie0 n VAL 399 Cb 0.48 0.12 0.01 0.00 -1.47 0.00 0.00 33.84 32.97 3ie0 n VAL 399 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3ie0 n HIS 400 N -0.06 -1.95 0.00 6.34 -0.00 -0.58 -1.00 115.22 117.96 3ie0 n HIS 400 Ca -0.00 0.66 0.00 0.00 -0.00 0.00 0.00 57.72 58.38 3ie0 n HIS 400 Cb 0.06 -2.90 0.00 0.00 -0.00 0.00 0.00 29.99 27.16 3ie0 n HIS 400 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3ie0 n GLY 401 N -1.76 0.50 3.73 1.57 0.00 -1.16 -1.13 105.19 106.94 3ie0 n GLY 401 Ca -0.24 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 3ie0 n GLY 401 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie0 s GLU 402 N -2.00 4.62 0.18 1.61 2.02 -1.26 -2.38 118.70 121.49 3ie0 s GLU 402 Ca 0.00 1.30 -0.20 0.00 0.02 0.00 0.00 54.97 56.09 3ie0 s GLU 402 Cb 0.00 -3.37 0.12 0.00 0.10 0.00 0.00 34.13 30.97 3ie0 s GLU 402 CO 0.00 0.24 1.37 -1.91 0.02 0.00 0.00 175.26 174.98 3ie0 n GLU 403 N 2.81 -0.27 -0.35 1.61 2.13 -1.20 0.71 120.64 126.08 3ie0 n GLU 403 Ca 0.00 1.35 0.07 0.00 0.66 0.00 0.00 57.16 59.25 3ie0 n GLU 403 Cb 0.50 -2.00 0.24 0.00 0.27 0.00 0.00 31.44 30.44 3ie0 n GLU 403 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 3ie0 h GLU 404 N 0.00 0.92 -0.17 5.31 4.11 -1.93 -1.32 114.58 121.51 3ie0 h GLU 404 Ca 0.25 -0.06 -0.05 0.00 0.07 0.00 0.00 59.36 59.57 3ie0 h GLU 404 Cb 0.47 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3ie0 h GLU 404 CO -0.86 0.61 -0.09 0.87 0.07 0.00 0.00 179.01 179.61 3ie0 h LYS 405 N 0.95 0.35 -0.42 1.06 1.57 -0.09 -1.12 116.57 118.87 3ie0 h LYS 405 Ca 0.49 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 3ie0 h LYS 405 Cb 0.51 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3ie0 h LYS 405 CO -0.28 0.67 0.23 -0.07 -0.57 0.00 0.00 179.45 179.43 3ie0 h LEU 406 N 0.02 0.51 -0.59 2.94 4.07 -0.75 -1.97 115.31 119.54 3ie0 h LEU 406 Ca 0.04 -0.03 -0.14 0.00 0.08 0.00 0.00 57.88 57.83 3ie0 h LEU 406 Cb 0.57 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 3ie0 h LEU 406 CO 0.03 0.41 -0.35 -0.07 -1.08 0.00 0.00 178.44 177.38 3ie0 h LEU 407 N 0.58 0.78 -0.83 1.67 4.07 -1.08 0.27 115.31 120.77 3ie0 h LEU 407 Ca 0.15 -0.33 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 3ie0 h LEU 407 Cb 0.02 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.50 3ie0 h LEU 407 CO -0.02 1.06 0.50 0.00 -1.08 0.00 0.00 178.44 178.89 3ie0 h ALA 408 N 0.99 1.06 -0.06 1.53 0.00 -0.48 0.99 119.26 123.29 3ie0 h ALA 408 Ca 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3ie0 h ALA 408 Cb 0.88 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3ie0 h ALA 408 CO 0.08 0.53 -0.06 1.25 0.00 0.00 0.00 179.25 181.04 3ie0 h LEU 409 N 1.14 0.16 -0.75 0.00 7.12 -1.16 -3.12 115.31 118.69 3ie0 h LEU 409 Ca 0.30 -0.49 0.10 0.00 0.13 0.00 0.00 57.88 57.91 3ie0 h LEU 409 Cb -0.04 -0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 39.97 3ie0 h LEU 409 CO -0.06 0.62 0.39 1.23 -0.13 0.00 0.00 178.44 180.49 3ie0 h GLY 410 N -0.30 1.15 0.13 3.75 0.00 -0.18 -0.38 103.07 107.24 3ie0 h GLY 410 Ca 0.01 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.12 3ie0 h GLY 410 CO 0.02 0.06 -0.44 1.70 0.00 0.00 0.00 176.54 177.88 3ie0 h LYS 411 N 0.64 -0.57 -0.91 4.80 3.64 -0.79 0.59 116.57 123.97 3ie0 h LYS 411 Ca 0.37 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.89 3ie0 h LYS 411 Cb 0.40 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.28 3ie0 h LYS 411 CO -0.28 -0.38 0.56 -0.07 -2.27 0.00 0.00 179.45 177.01 3ie0 h LEU 412 N -0.59 0.84 -1.01 5.20 3.38 -1.28 0.39 115.31 122.24 3ie0 h LEU 412 Ca 0.04 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3ie0 h LEU 412 Cb 0.67 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3ie0 h LEU 412 CO -0.32 0.48 -0.25 -0.07 0.09 0.00 0.00 178.44 178.37 3ie0 h LEU 413 N 0.94 0.42 -0.05 1.67 3.38 -0.12 -2.14 115.31 119.41 3ie0 h LEU 413 Ca 0.43 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 3ie0 h LEU 413 Cb 0.34 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3ie0 h LEU 413 CO -0.23 0.67 -0.04 0.00 0.09 0.00 0.00 178.44 178.93 3ie0 h ALA 414 N 1.37 0.07 -0.01 1.53 0.00 0.18 -0.28 119.26 122.12 3ie0 h ALA 414 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ie0 h ALA 414 Cb 0.64 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3ie0 h ALA 414 CO 0.05 -0.16 0.01 -0.07 0.00 0.00 0.00 179.25 179.07 3ie0 h LEU 415 N -0.30 0.00 -0.08 0.00 3.38 -0.89 0.18 115.31 117.60 3ie0 h LEU 415 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ie0 h LEU 415 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3ie0 h LEU 415 CO 0.01 0.00 -0.05 -1.14 0.09 0.00 0.00 178.44 177.35 3ie0 n ARG 416 N -4.07 0.54 -0.14 1.13 0.63 -0.81 -4.88 116.66 109.05 3ie0 n ARG 416 Ca -0.03 -0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 3ie0 n ARG 416 Cb 0.09 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.50 3ie0 n ARG 416 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ie0 n GLY 417 N 1.27 0.81 3.76 5.14 0.00 0.05 -5.07 105.19 111.16 3ie0 n GLY 417 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3ie0 n GLY 417 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ie0 s GLN 418 N -0.86 4.17 -0.05 1.61 -0.21 -0.14 -5.01 119.66 119.18 3ie0 s GLN 418 Ca 0.00 0.31 -0.30 0.00 0.02 0.00 0.00 55.36 55.39 3ie0 s GLN 418 Cb 0.00 -3.37 -0.04 0.00 1.00 0.00 0.00 33.01 30.60 3ie0 s GLN 418 CO 0.00 0.35 1.40 -1.21 -2.12 0.00 0.00 175.29 173.71 3ie0 s GLU 419 N 0.05 4.26 0.18 2.91 2.02 -0.49 -3.89 118.70 123.74 3ie0 s GLU 419 Ca 0.22 1.92 0.07 0.00 0.02 0.00 0.00 54.97 57.19 3ie0 s GLU 419 Cb -0.15 -3.68 -0.05 0.00 0.10 0.00 0.00 34.13 30.36 3ie0 s GLU 419 CO 0.09 -0.64 -0.13 0.54 0.02 0.00 0.00 175.26 175.14 3ie0 s VAL 420 N 2.88 1.54 0.11 2.63 0.11 -1.26 0.33 120.40 126.75 3ie0 s VAL 420 Ca 0.63 -2.13 -0.25 0.00 -2.93 0.00 0.00 61.98 57.30 3ie0 s VAL 420 Cb -0.29 -1.95 0.08 0.00 -1.53 0.00 0.00 36.38 32.69 3ie0 s VAL 420 CO 0.24 -0.63 0.65 -0.94 -3.33 0.00 0.00 175.10 171.10 3ie0 s SER 421 N -3.20 -0.55 -0.21 3.54 1.04 -0.78 -4.96 113.70 108.58 3ie0 s SER 421 Ca 0.20 0.08 -0.06 0.00 0.48 0.00 0.00 55.95 56.64 3ie0 s SER 421 Cb -0.00 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 3ie0 s SER 421 CO 0.05 -0.88 0.04 -0.76 0.98 0.00 0.00 173.24 172.67 3ie0 s LEU 422 N -2.54 3.49 0.84 2.42 1.02 -1.26 -1.12 118.68 121.54 3ie0 s LEU 422 Ca 0.00 -0.11 -0.13 0.00 0.02 0.00 0.00 54.13 53.91 3ie0 s LEU 422 Cb -0.01 -1.90 0.05 0.00 0.02 0.00 0.00 46.19 44.35 3ie0 s LEU 422 CO -0.10 0.07 0.82 0.00 0.02 0.00 0.00 176.35 177.16 3ie0 n ALA 423 N 4.19 -1.20 -3.72 4.21 0.00 -0.90 -4.95 120.51 118.13 3ie0 n ALA 423 Ca -0.17 -0.42 -0.15 0.00 0.00 0.00 0.00 53.44 52.70 3ie0 n ALA 423 Cb 0.52 -2.02 -0.15 0.00 0.00 0.00 0.00 19.45 17.79 3ie0 n ALA 423 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ie0 s ARG 424 N -3.74 0.03 0.12 0.00 0.52 -1.26 -4.06 118.95 110.55 3ie0 s ARG 424 Ca 0.66 0.38 -0.33 0.00 -0.52 0.00 0.00 55.73 55.92 3ie0 s ARG 424 Cb -0.27 -0.26 -0.18 0.00 0.52 0.00 0.00 34.95 34.76 3ie0 s ARG 424 CO 0.58 -0.22 0.76 0.34 0.02 0.00 0.00 175.30 176.78 3ie0 n PHE 425 N 4.61 0.02 0.00 -0.53 7.35 -1.26 -0.60 117.46 127.05 3ie0 n PHE 425 Ca -0.19 1.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.50 3ie0 n PHE 425 Cb 0.51 -2.02 0.00 0.00 0.35 0.00 0.00 39.48 38.31 3ie0 n PHE 425 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ie0 n GLY 426 N 1.80 1.31 3.47 7.13 0.00 -0.36 -4.90 105.19 113.64 3ie0 n GLY 426 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3ie0 n GLY 426 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie0 s GLU 427 N 0.00 3.13 0.64 1.61 2.02 0.24 -4.87 118.70 121.46 3ie0 s GLU 427 Ca 0.00 -0.74 -0.14 0.00 0.02 0.00 0.00 54.97 54.11 3ie0 s GLU 427 Cb 0.00 -4.21 -0.01 0.00 0.10 0.00 0.00 34.13 30.00 3ie0 s GLU 427 CO 0.00 -1.84 1.07 0.20 0.02 0.00 0.00 175.26 174.71 3ie0 s GLY 428 N 3.65 2.03 -0.05 -1.39 0.00 -1.26 -4.37 107.32 105.93 3ie0 s GLY 428 Ca 0.24 0.38 0.06 0.00 0.00 0.00 0.00 44.72 45.40 3ie0 s GLY 428 CO 0.11 0.70 -0.24 0.14 0.00 0.00 0.00 173.10 173.82 3ie0 s VAL 429 N -2.54 2.22 -0.09 1.40 1.01 0.11 -4.93 120.40 117.57 3ie0 s VAL 429 Ca 0.63 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 3ie0 s VAL 429 Cb -0.17 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 3ie0 s VAL 429 CO 0.42 0.57 0.97 -2.16 0.00 0.00 0.00 175.10 174.90 3ie0 s PRO 430 N -0.36 4.43 0.00 2.72 0.04 -1.26 0.70 135.00 141.27 3ie0 s PRO 430 Ca 0.02 1.32 0.23 0.00 0.04 0.00 0.00 61.00 62.62 3ie0 s PRO 430 Cb -0.12 -3.53 1.38 0.00 0.04 0.00 0.00 34.50 32.27 3ie0 s PRO 430 CO 0.02 -0.25 1.75 0.28 0.04 0.00 0.00 177.00 178.83