#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 2.20 -0.13 2.12 3.52 0.16 0.47 118.95 127.29 3ie0 s ARG 2 Ca 0.00 -0.96 -0.01 0.00 -0.13 0.00 0.00 55.73 54.63 3ie0 s ARG 2 Cb 0.00 -2.32 0.03 0.00 -1.56 0.00 0.00 34.95 31.10 3ie0 s ARG 2 CO 0.00 0.53 -0.03 -1.50 -0.81 0.00 0.00 175.30 173.49 3ie0 s ILE 3 N -1.12 0.80 -0.27 4.11 1.10 -0.93 -0.55 121.20 124.33 3ie0 s ILE 3 Ca 0.19 -0.30 -0.07 0.00 -0.51 0.00 0.00 60.65 59.97 3ie0 s ILE 3 Cb -0.11 -0.96 -0.01 0.00 0.15 0.00 0.00 42.46 41.53 3ie0 s ILE 3 CO 0.11 0.20 0.07 -0.69 -2.11 0.00 0.00 174.94 172.52 3ie0 s VAL 4 N 1.78 4.06 0.40 4.00 1.01 0.11 -1.24 120.40 130.53 3ie0 s VAL 4 Ca 0.03 -0.47 -0.25 0.00 0.00 0.00 0.00 61.98 61.29 3ie0 s VAL 4 Cb -0.14 -3.00 -0.08 0.00 0.00 0.00 0.00 36.38 33.16 3ie0 s VAL 4 CO -0.07 0.21 1.22 -2.84 0.00 0.00 0.00 175.10 173.62 3ie0 s PRO 5 N 1.55 4.02 0.00 2.72 0.02 -1.26 -0.89 135.00 141.15 3ie0 s PRO 5 Ca 0.04 1.95 0.20 0.00 0.02 0.00 0.00 61.00 63.22 3ie0 s PRO 5 Cb -0.16 -2.70 0.33 0.00 0.02 0.00 0.00 34.50 31.99 3ie0 s PRO 5 CO 0.02 -0.39 1.12 1.19 -0.33 0.00 0.00 177.00 178.62 3ie0 n PHE 6 N 0.09 0.00 -0.19 6.54 3.72 0.75 -1.05 117.46 127.33 3ie0 n PHE 6 Ca 0.04 -0.43 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 3ie0 n PHE 6 Cb 0.45 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 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 0.38 -2.19 2.33 1.37 0.00 -1.25 -4.62 105.19 101.21 3ie0 n GLY 7 Ca 0.02 -1.20 -0.07 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 -0.76 -2.72 4.61 0.00 0.94 -4.60 120.51 117.98 3ie0 n ALA 8 Ca 0.00 0.07 -0.44 0.00 0.00 0.00 0.00 53.44 53.07 3ie0 n ALA 8 Cb 0.00 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.24 3.42 -1.38 0.00 0.00 -1.26 -0.45 121.76 119.85 3ie0 s ALA 9 Ca 0.00 -1.73 -0.08 0.00 0.00 0.00 0.00 51.96 50.15 3ie0 s ALA 9 Cb 0.00 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.87 3ie0 s ALA 9 CO 0.00 -1.88 1.07 0.54 0.00 0.00 0.00 175.76 175.49 3ie0 n ARG 10 N 5.93 -7.34 -3.62 0.00 3.00 -1.26 -4.86 116.66 108.51 3ie0 n ARG 10 Ca -0.07 0.83 -0.05 0.00 -0.01 0.00 0.00 57.85 58.56 3ie0 n ARG 10 Cb 0.46 -5.82 -0.02 0.00 0.00 0.00 0.00 32.46 27.08 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 -6.19 0.80 -0.71 5.56 -1.05 0.63 -3.59 118.70 114.15 3ie0 s GLU 11 Ca 0.53 -0.38 -0.01 0.00 -0.15 0.00 0.00 54.97 54.96 3ie0 s GLU 11 Cb -0.23 0.32 0.41 0.00 -0.44 0.00 0.00 34.13 34.19 3ie0 s GLU 11 CO 0.65 -0.36 1.97 1.33 0.95 0.00 0.00 175.26 179.80 3ie0 n VAL 12 N -0.33 3.54 -3.46 1.83 0.24 -1.25 0.15 118.33 119.04 3ie0 n VAL 12 Ca -0.06 -3.56 -0.12 0.00 -2.04 0.00 0.00 64.34 58.56 3ie0 n VAL 12 Cb 0.61 -1.19 -0.03 0.00 -1.47 0.00 0.00 33.84 31.76 3ie0 n VAL 12 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3ie0 s THR 13 N -4.93 0.01 0.00 3.34 2.01 -1.26 -4.83 115.64 109.98 3ie0 s THR 13 Ca 0.59 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.50 3ie0 s THR 13 Cb 0.48 -1.02 0.00 0.00 0.01 0.00 0.00 72.50 71.96 3ie0 s THR 13 CO -0.17 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.32 3ie0 n GLY 14 N -0.24 1.29 0.78 4.40 0.00 0.52 0.31 105.19 112.25 3ie0 n GLY 14 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 0.22 -3.15 1.61 7.64 -1.23 -4.03 113.62 114.67 3ie0 n SER 15 Ca 0.00 0.21 0.05 0.00 1.01 0.00 0.00 58.87 60.14 3ie0 n SER 15 Cb 0.00 -0.20 -0.01 0.00 -1.01 0.00 0.00 64.21 62.99 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 0.98 -3.44 -0.25 -0.43 0.00 -1.26 0.15 121.76 117.52 3ie0 s ALA 16 Ca 0.25 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.62 3ie0 s ALA 16 Cb -0.33 -2.61 0.06 0.00 0.00 0.00 0.00 23.12 20.24 3ie0 s ALA 16 CO 0.17 -1.75 -0.07 -1.01 0.00 0.00 0.00 175.76 173.09 3ie0 s HIS 17 N 2.93 2.87 -0.05 0.00 0.09 -0.51 -0.18 115.29 120.44 3ie0 s HIS 17 Ca 0.14 -2.10 -0.30 0.00 -0.00 0.00 0.00 55.06 52.80 3ie0 s HIS 17 Cb -0.07 -1.83 -0.04 0.00 -0.00 0.00 0.00 32.58 30.64 3ie0 s HIS 17 CO -0.19 -0.84 1.31 -1.17 -0.00 0.00 0.00 174.74 173.86 3ie0 s LEU 18 N 1.23 4.28 -0.38 0.89 2.96 -0.07 -1.34 118.68 126.26 3ie0 s LEU 18 Ca -0.06 1.93 -0.12 0.00 -0.22 0.00 0.00 54.13 55.67 3ie0 s LEU 18 Cb -0.19 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 42.96 3ie0 s LEU 18 CO -0.06 -0.68 0.22 -0.22 -1.32 0.00 0.00 176.35 174.29 3ie0 s LEU 19 N 2.57 4.74 -0.47 -0.68 2.96 0.56 0.09 118.68 128.44 3ie0 s LEU 19 Ca 0.60 -0.94 -0.16 0.00 -0.22 0.00 0.00 54.13 53.41 3ie0 s LEU 19 Cb -0.27 -2.05 0.07 0.00 0.50 0.00 0.00 46.19 44.44 3ie0 s LEU 19 CO 0.23 -0.38 0.40 -0.76 -1.32 0.00 0.00 176.35 174.52 3ie0 s LEU 20 N 1.58 5.61 0.30 -0.68 1.43 0.29 -0.46 118.68 126.74 3ie0 s LEU 20 Ca 0.03 -1.31 -0.20 0.00 -1.03 0.00 0.00 54.13 51.62 3ie0 s LEU 20 Cb -0.19 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 43.87 3ie0 s LEU 20 CO 0.07 -0.65 0.72 0.00 0.23 0.00 0.00 176.35 176.73 3ie0 s ALA 21 N 1.66 -1.08 0.00 4.21 0.00 -0.82 -0.66 121.76 125.06 3ie0 s ALA 21 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3ie0 s ALA 21 Cb -0.24 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.71 3ie0 s ALA 21 CO 0.07 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.22 3ie0 n GLY 22 N -0.47 -0.23 2.03 0.00 0.00 -1.26 0.10 105.19 105.36 3ie0 n GLY 22 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.23 0.46 3.34 -0.02 0.00 -1.26 -3.45 105.19 104.03 3ie0 n GLY 23 Ca 0.00 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.55 1.49 -0.24 1.61 1.81 0.29 -5.03 118.95 117.32 3ie0 s ARG 24 Ca 0.00 -1.83 -0.00 0.00 -1.72 0.00 0.00 55.73 52.18 3ie0 s ARG 24 Cb 0.00 -0.28 0.07 0.00 -0.45 0.00 0.00 34.95 34.28 3ie0 s ARG 24 CO 0.00 -0.33 -0.01 1.03 -0.68 0.00 0.00 175.30 175.30 3ie0 s ARG 25 N -3.96 1.31 -0.24 3.54 0.52 -1.26 -1.94 118.95 116.92 3ie0 s ARG 25 Ca 0.37 -0.90 -0.02 0.00 -0.52 0.00 0.00 55.73 54.65 3ie0 s ARG 25 Cb 0.07 -2.45 0.02 0.00 0.52 0.00 0.00 34.95 33.10 3ie0 s ARG 25 CO 0.15 -0.66 -0.06 0.08 0.02 0.00 0.00 175.30 174.83 3ie0 s VAL 26 N 1.50 2.96 -0.03 3.52 1.01 0.39 -1.06 120.40 128.70 3ie0 s VAL 26 Ca -0.03 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 3ie0 s VAL 26 Cb -0.18 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3ie0 s VAL 26 CO -0.08 0.28 0.95 -0.22 0.00 0.00 0.00 175.10 176.03 3ie0 s LEU 27 N 1.37 4.34 -0.34 3.92 0.20 -0.22 -0.32 118.68 127.63 3ie0 s LEU 27 Ca 0.02 1.57 -0.12 0.00 0.69 0.00 0.00 54.13 56.29 3ie0 s LEU 27 Cb -0.16 -3.50 -0.01 0.00 -0.43 0.00 0.00 46.19 42.10 3ie0 s LEU 27 CO -0.05 -0.28 0.21 -0.76 -0.29 0.00 0.00 176.35 175.19 3ie0 s LEU 28 N 1.18 4.45 0.45 -0.68 1.02 -0.45 -1.01 118.68 123.64 3ie0 s LEU 28 Ca 0.49 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 54.11 3ie0 s LEU 28 Cb -0.20 -2.09 0.00 0.00 0.02 0.00 0.00 46.19 43.92 3ie0 s LEU 28 CO 0.25 -0.25 0.00 0.47 0.02 0.00 0.00 176.35 176.84 3ie0 n ASP 29 N 5.06 -8.30 -2.68 2.29 8.00 0.30 -1.43 116.55 119.80 3ie0 n ASP 29 Ca -0.13 0.95 -0.05 0.00 0.71 0.00 0.00 54.79 56.27 3ie0 n ASP 29 Cb 0.49 -4.44 0.10 0.00 -0.02 0.00 0.00 41.12 37.25 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 -0.52 1.71 0.63 0.00 0.00 0.12 -0.78 107.32 108.49 3ie0 s GLY 31 Ca 0.22 -1.07 0.05 0.00 0.00 0.00 0.00 44.72 43.91 3ie0 s GLY 31 CO -0.15 -0.58 0.87 -3.16 0.00 0.00 0.00 173.10 170.08 3ie0 s MET 32 N -5.35 2.04 -0.05 2.90 0.23 -0.84 -3.83 119.30 114.41 3ie0 s MET 32 Ca 0.63 -1.36 -0.03 0.00 -1.03 0.00 0.00 55.69 53.90 3ie0 s MET 32 Cb -0.09 -2.50 -0.04 0.00 -1.53 0.00 0.00 34.83 30.67 3ie0 s MET 32 CO 0.46 -1.10 0.12 -0.06 -2.03 0.00 0.00 175.02 172.41 3ie0 s PHE 33 N -2.87 3.46 0.03 3.16 0.08 -1.26 -0.36 117.98 120.21 3ie0 s PHE 33 Ca 0.63 0.36 0.05 0.00 0.12 0.00 0.00 56.93 58.10 3ie0 s PHE 33 Cb -0.06 -1.84 -0.02 0.00 -0.57 0.00 0.00 43.02 40.53 3ie0 s PHE 33 CO 0.41 0.63 -0.16 -0.65 -0.10 0.00 0.00 175.22 175.36 3ie0 s GLN 34 N -1.48 1.08 0.00 0.44 -0.21 -1.26 -4.17 119.66 114.06 3ie0 s GLN 34 Ca 0.21 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 54.84 3ie0 s GLN 34 Cb -0.12 -1.11 0.00 0.00 1.00 0.00 0.00 33.01 32.78 3ie0 s GLN 34 CO 0.11 0.28 0.00 0.41 -2.12 0.00 0.00 175.29 173.97 3ie0 n GLY 35 N 2.07 0.14 0.32 3.09 0.00 -1.26 -4.29 105.19 105.26 3ie0 n GLY 35 Ca -0.17 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 0.52 0.00 1.61 5.02 -1.26 -1.43 118.16 122.62 3ie0 n LYS 36 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 3ie0 n LYS 36 Cb 0.00 -1.17 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 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 -0.02 5.99 0.00 1.97 -0.58 -1.26 -4.68 120.64 122.05 3ie0 n GLU 37 Ca 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3ie0 n GLU 37 Cb 0.08 -0.60 0.00 0.00 -0.57 0.00 0.00 31.44 30.36 3ie0 n GLU 37 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3ie0 n GLU 38 N -0.94 0.00 0.07 3.49 2.13 -0.51 0.31 120.64 125.19 3ie0 n GLU 38 Ca 0.00 0.16 -0.02 0.00 0.66 0.00 0.00 57.16 57.96 3ie0 n GLU 38 Cb 0.02 -1.71 -0.06 0.00 0.27 0.00 0.00 31.44 29.96 3ie0 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ie0 h ALA 39 N 0.88 0.58 0.00 4.31 0.00 -1.83 -3.29 119.26 119.91 3ie0 h ALA 39 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3ie0 h ALA 39 Cb 0.42 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ie0 h ALA 39 CO 0.00 1.00 0.00 0.00 0.00 0.00 0.00 179.25 180.25 3ie0 h ARG 40 N 0.00 0.00 0.00 0.00 3.08 -0.52 -2.06 114.38 114.88 3ie0 h ARG 40 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3ie0 h ARG 40 Cb 1.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.67 3ie0 h ARG 40 CO 0.08 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.07 3ie0 n ASN 41 N -3.08 0.18 0.01 7.04 5.03 -1.24 -1.06 115.26 122.15 3ie0 n ASN 41 Ca -0.01 0.56 0.11 0.00 0.87 0.00 0.00 54.58 56.11 3ie0 n ASN 41 Cb 0.21 -0.59 -0.12 0.00 -1.02 0.00 0.00 39.78 38.26 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 -1.72 0.20 -1.93 3.10 8.25 -0.77 -4.87 115.22 117.48 3ie0 n HIS 42 Ca 0.01 0.06 -0.30 0.00 -0.26 0.00 0.00 57.72 57.23 3ie0 n HIS 42 Cb 0.09 -0.54 0.04 0.00 1.12 0.00 0.00 29.99 30.70 3ie0 n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ie0 s ALA 43 N -3.43 2.95 0.95 -1.41 0.00 -0.22 -5.04 121.76 115.56 3ie0 s ALA 43 Ca -0.04 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.45 3ie0 s ALA 43 Cb 0.13 -2.99 0.16 0.00 0.00 0.00 0.00 23.12 20.42 3ie0 s ALA 43 CO 0.88 -1.08 1.10 -1.25 0.00 0.00 0.00 175.76 175.41 3ie0 s PRO 44 N -5.31 0.81 0.00 0.00 0.04 -1.26 -4.99 135.00 124.29 3ie0 s PRO 44 Ca 0.58 1.20 -0.24 0.00 0.04 0.00 0.00 61.00 62.57 3ie0 s PRO 44 Cb -0.11 -1.73 -0.14 0.00 0.04 0.00 0.00 34.50 32.56 3ie0 s PRO 44 CO 0.51 -2.66 1.06 0.74 0.04 0.00 0.00 177.00 176.69 3ie0 h PHE 45 N -1.87 -0.66 0.00 0.56 0.04 -1.96 -3.48 116.94 109.57 3ie0 h PHE 45 Ca -0.48 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.27 3ie0 h PHE 45 Cb 1.28 0.22 0.00 0.00 2.20 0.00 0.00 35.95 39.65 3ie0 h PHE 45 CO 0.45 -0.35 0.00 0.41 -0.60 0.00 0.00 178.31 178.22 3ie0 n GLY 46 N -0.36 0.01 3.25 -1.45 0.00 -1.26 -5.01 105.19 100.37 3ie0 n GLY 46 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.92 -0.04 -0.37 1.61 -0.71 -1.26 -5.07 117.98 111.22 3ie0 s PHE 47 Ca 0.00 -0.25 -0.24 0.00 -1.04 0.00 0.00 56.93 55.41 3ie0 s PHE 47 Cb 0.00 0.08 0.01 0.00 -1.21 0.00 0.00 43.02 41.91 3ie0 s PHE 47 CO 0.00 -0.57 0.81 0.34 -1.34 0.00 0.00 175.22 174.46 3ie0 s ASP 48 N -2.54 6.57 0.36 1.98 2.15 -1.26 -4.92 116.67 119.01 3ie0 s ASP 48 Ca 0.01 0.36 0.06 0.00 0.43 0.00 0.00 52.55 53.41 3ie0 s ASP 48 Cb 0.02 -2.41 0.75 0.00 -0.30 0.00 0.00 42.92 40.98 3ie0 s ASP 48 CO -0.08 -0.77 1.96 1.55 -0.17 0.00 0.00 175.17 177.65 3ie0 h PRO 49 N 8.52 0.72 0.00 4.34 0.13 -1.92 -1.35 132.00 142.44 3ie0 h PRO 49 Ca -0.24 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3ie0 h PRO 49 Cb 1.09 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3ie0 h PRO 49 CO 0.93 0.48 0.00 1.63 -0.23 0.00 0.00 178.00 180.80 3ie0 n LYS 50 N -4.48 0.14 -0.16 0.86 5.02 -1.26 -1.69 118.16 116.59 3ie0 n LYS 50 Ca 0.11 0.59 0.11 0.00 -2.02 0.00 0.00 58.31 57.10 3ie0 n LYS 50 Cb 0.23 -1.91 0.19 0.00 -0.02 0.00 0.00 35.03 33.52 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 -2.20 2.39 -2.87 1.97 -0.58 -0.51 -4.94 120.64 113.90 3ie0 n GLU 51 Ca -0.01 -2.18 -0.40 0.00 -0.42 0.00 0.00 57.16 54.15 3ie0 n GLU 51 Cb 0.06 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.40 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 -1.46 4.23 -0.14 2.62 1.01 -0.68 -4.67 120.40 121.31 3ie0 s VAL 52 Ca 0.35 1.88 0.14 0.00 0.00 0.00 0.00 61.98 64.36 3ie0 s VAL 52 Cb 0.21 -4.23 -0.24 0.00 0.00 0.00 0.00 36.38 32.12 3ie0 s VAL 52 CO 0.30 0.51 0.30 0.47 0.00 0.00 0.00 175.10 176.68 3ie0 n ASP 53 N 1.54 0.51 -3.58 3.32 8.00 -0.22 -4.79 116.55 121.33 3ie0 n ASP 53 Ca -0.04 0.17 -0.08 0.00 0.71 0.00 0.00 54.79 55.54 3ie0 n ASP 53 Cb 0.48 0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 42.01 3ie0 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ie0 s ALA 54 N -2.54 -1.64 -0.08 2.24 0.00 -1.20 -4.40 121.76 114.14 3ie0 s ALA 54 Ca -0.09 0.49 -0.06 0.00 0.00 0.00 0.00 51.96 52.29 3ie0 s ALA 54 Cb 0.07 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.88 3ie0 s ALA 54 CO 0.82 -0.84 0.21 0.54 0.00 0.00 0.00 175.76 176.49 3ie0 s VAL 55 N -3.45 -0.02 -0.07 0.00 0.11 -1.13 -1.05 120.40 114.78 3ie0 s VAL 55 Ca 0.06 0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.21 3ie0 s VAL 55 Cb -0.02 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 3ie0 s VAL 55 CO -0.06 0.03 -0.19 -0.76 -3.33 0.00 0.00 175.10 170.79 3ie0 s LEU 56 N 0.56 2.44 -0.12 2.54 1.02 -0.18 -0.64 118.68 124.30 3ie0 s LEU 56 Ca -0.04 -0.37 -0.02 0.00 0.02 0.00 0.00 54.13 53.73 3ie0 s LEU 56 Cb -0.05 -1.49 -0.03 0.00 0.02 0.00 0.00 46.19 44.64 3ie0 s LEU 56 CO -0.03 0.26 -0.04 -0.76 0.02 0.00 0.00 176.35 175.80 3ie0 s LEU 57 N -0.23 3.26 0.10 1.79 1.02 -0.45 0.11 118.68 124.28 3ie0 s LEU 57 Ca -0.00 -0.06 0.13 0.00 0.02 0.00 0.00 54.13 54.22 3ie0 s LEU 57 Cb -0.13 -1.75 -0.13 0.00 0.02 0.00 0.00 46.19 44.19 3ie0 s LEU 57 CO 0.03 0.26 1.05 0.71 0.02 0.00 0.00 176.35 178.42 3ie0 h THR 58 N 4.72 0.98 -1.56 5.49 1.35 -1.89 -3.43 112.91 118.57 3ie0 h THR 58 Ca -0.39 -2.58 0.22 0.00 -0.55 0.00 0.00 66.41 63.11 3ie0 h THR 58 Cb 1.19 2.42 -0.19 0.00 -1.73 0.00 0.00 68.15 69.84 3ie0 h THR 58 CO 0.58 0.56 0.76 -1.38 -0.25 0.00 0.00 175.52 175.79 3ie0 s HIS 59 N -2.80 -0.17 0.50 4.73 -3.43 -1.26 -0.88 115.29 111.99 3ie0 s HIS 59 Ca -0.01 0.13 0.40 0.00 -0.80 0.00 0.00 55.06 54.78 3ie0 s HIS 59 Cb 0.09 0.51 2.18 0.00 -1.43 0.00 0.00 32.58 33.93 3ie0 s HIS 59 CO 0.80 -0.25 2.23 0.00 -2.00 0.00 0.00 174.74 175.52 3ie0 h ALA 60 N 2.04 1.01 -1.42 -1.38 0.00 -1.91 -3.42 119.26 114.17 3ie0 h ALA 60 Ca -0.11 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.14 3ie0 h ALA 60 Cb 1.18 0.00 0.10 0.00 0.00 0.00 0.00 17.79 19.06 3ie0 h ALA 60 CO 0.24 -0.01 -0.10 0.72 0.00 0.00 0.00 179.25 180.10 3ie0 n HIS 61 N -2.92 0.51 0.14 0.00 8.25 -1.26 -4.63 115.22 115.32 3ie0 n HIS 61 Ca -0.03 0.84 0.17 0.00 -0.26 0.00 0.00 57.72 58.45 3ie0 n HIS 61 Cb 0.07 -2.12 0.76 0.00 1.12 0.00 0.00 29.99 29.82 3ie0 n HIS 61 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3ie0 h LEU 62 N 2.05 0.00 -2.36 2.41 5.85 -1.94 -0.19 115.31 121.12 3ie0 h LEU 62 Ca -0.37 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.24 3ie0 h LEU 62 Cb 1.39 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.36 3ie0 h LEU 62 CO 0.62 0.00 0.13 -0.90 -0.34 0.00 0.00 178.44 177.95 3ie0 n ASP 63 N -4.05 3.01 0.00 1.25 5.75 -1.26 0.56 116.55 121.81 3ie0 n ASP 63 Ca 0.04 -2.46 0.00 0.00 -0.01 0.00 0.00 54.79 52.36 3ie0 n ASP 63 Cb 0.40 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 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 0.05 0.00 0.00 2.11 8.25 -0.15 -3.57 115.22 121.91 3ie0 n HIS 64 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 3ie0 n HIS 64 Cb 0.77 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.88 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 0.00 0.00 -0.41 1.59 0.31 -0.80 -0.95 118.33 118.07 3ie0 n VAL 65 Ca 0.00 -0.03 0.35 0.00 -0.01 0.00 0.00 64.34 64.66 3ie0 n VAL 65 Cb 0.00 0.33 0.59 0.00 -0.91 0.00 0.00 33.84 33.86 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 1.25 -0.74 0.78 2.92 0.00 0.19 -0.33 105.19 109.27 3ie0 n GLY 66 Ca 0.00 0.67 0.12 0.00 0.00 0.00 0.00 46.02 46.80 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 1.90 -0.09 1.61 1.74 0.04 -4.52 116.66 112.86 3ie0 n ARG 67 Ca 0.35 -1.57 -0.10 0.00 -0.77 0.00 0.00 57.85 55.77 3ie0 n ARG 67 Cb 1.37 -1.46 -0.04 0.00 -1.02 0.00 0.00 32.46 31.31 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 3.82 -1.25 -1.87 0.55 5.85 -0.31 0.25 115.31 122.35 3ie0 h LEU 68 Ca 0.00 0.19 0.13 0.00 0.84 0.00 0.00 57.88 59.05 3ie0 h LEU 68 Cb 0.90 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 3ie0 h LEU 68 CO 0.00 -0.36 0.38 1.55 -0.34 0.00 0.00 178.44 179.67 3ie0 h PRO 69 N -0.34 0.14 -0.36 5.25 0.13 -1.81 -0.24 132.00 134.77 3ie0 h PRO 69 Ca 0.13 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.19 3ie0 h PRO 69 Cb 0.57 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 3ie0 h PRO 69 CO -0.51 0.09 -0.03 -0.22 -0.23 0.00 0.00 178.00 177.11 3ie0 h LYS 70 N 0.14 0.65 -0.95 0.86 3.64 -0.88 -0.50 116.57 119.53 3ie0 h LYS 70 Ca 0.26 -0.22 0.16 0.00 -1.27 0.00 0.00 60.65 59.58 3ie0 h LYS 70 Cb 0.83 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.51 3ie0 h LYS 70 CO -0.03 0.77 0.60 1.25 -2.27 0.00 0.00 179.45 179.77 3ie0 h LEU 71 N 0.45 0.70 0.07 5.20 5.85 0.52 -0.61 115.31 127.50 3ie0 h LEU 71 Ca 0.10 0.06 -0.25 0.00 0.84 0.00 0.00 57.88 58.63 3ie0 h LEU 71 Cb 0.50 -0.08 0.02 0.00 0.37 0.00 0.00 40.66 41.48 3ie0 h LEU 71 CO 0.02 0.32 -1.01 -0.26 -0.34 0.00 0.00 178.44 177.18 3ie0 h PHE 72 N 0.72 0.88 -0.81 1.25 -1.00 -1.13 -1.70 116.94 115.16 3ie0 h PHE 72 Ca 0.50 -0.53 0.20 0.00 2.81 0.00 0.00 57.97 60.95 3ie0 h PHE 72 Cb 0.80 -0.08 -0.05 0.00 3.61 0.00 0.00 35.95 40.23 3ie0 h PHE 72 CO -0.00 1.37 0.56 -0.09 -1.61 0.00 0.00 178.31 178.53 3ie0 h ARG 73 N 0.14 0.25 -0.83 1.51 2.43 0.15 0.52 114.38 118.54 3ie0 h ARG 73 Ca -0.15 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.87 3ie0 h ARG 73 Cb 1.70 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 31.11 3ie0 h ARG 73 CO 0.19 0.17 0.17 0.39 -1.51 0.00 0.00 179.97 179.38 3ie0 n GLU 74 N -4.43 2.90 0.00 0.20 1.02 -0.36 -4.90 120.64 115.07 3ie0 n GLU 74 Ca 0.17 -2.06 0.00 0.00 -0.02 0.00 0.00 57.16 55.25 3ie0 n GLU 74 Cb 0.71 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 0.02 1.04 3.74 0.62 0.00 0.17 -4.52 105.19 106.26 3ie0 n GLY 75 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 3ie0 n GLY 75 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ie0 s TYR 76 N -2.23 2.99 -0.01 1.61 6.04 -0.64 -4.65 117.35 120.47 3ie0 s TYR 76 Ca 0.00 0.85 0.11 0.00 0.04 0.00 0.00 57.07 58.07 3ie0 s TYR 76 Cb 0.00 -3.90 0.19 0.00 -1.04 0.00 0.00 41.96 37.21 3ie0 s TYR 76 CO 0.00 -3.07 1.08 0.54 -1.54 0.00 0.00 175.55 172.55 3ie0 n ARG 77 N 2.89 0.05 -2.30 4.97 3.00 -1.26 -4.46 116.66 119.54 3ie0 n ARG 77 Ca 0.09 -1.47 -0.20 0.00 -0.01 0.00 0.00 57.85 56.26 3ie0 n ARG 77 Cb 0.39 -0.33 0.11 0.00 0.00 0.00 0.00 32.46 32.63 3ie0 n ARG 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ie0 n GLY 78 N 0.16 0.58 3.84 -0.13 0.00 -1.26 -5.08 105.19 103.29 3ie0 n GLY 78 Ca 0.03 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 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 -4.81 3.88 -0.26 1.61 0.04 -1.26 -4.91 135.00 129.29 3ie0 s PRO 79 Ca 0.59 0.99 -0.00 0.00 0.04 0.00 0.00 61.00 62.62 3ie0 s PRO 79 Cb -0.03 -2.12 0.07 0.00 0.04 0.00 0.00 34.50 32.46 3ie0 s PRO 79 CO 0.39 -0.33 0.02 0.08 0.04 0.00 0.00 177.00 177.19 3ie0 s VAL 80 N -2.58 1.21 0.08 -0.36 1.01 -0.62 -2.86 120.40 116.27 3ie0 s VAL 80 Ca 0.60 -1.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 3ie0 s VAL 80 Cb -0.11 -1.68 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 3ie0 s VAL 80 CO 0.31 -0.33 0.62 -0.31 0.00 0.00 0.00 175.10 175.40 3ie0 s TYR 81 N 1.51 3.80 0.19 5.22 1.51 0.19 -1.37 117.35 128.40 3ie0 s TYR 81 Ca 0.01 1.34 -0.23 0.00 -1.01 0.00 0.00 57.07 57.18 3ie0 s TYR 81 Cb -0.18 -2.59 0.05 0.00 -0.11 0.00 0.00 41.96 39.14 3ie0 s TYR 81 CO -0.12 0.52 0.76 0.00 -1.11 0.00 0.00 175.55 175.60 3ie0 s ALA 82 N -0.90 -1.49 0.56 3.71 0.00 -0.99 -1.34 121.76 121.32 3ie0 s ALA 82 Ca 0.31 0.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.29 3ie0 s ALA 82 Cb -0.20 0.76 -0.06 0.00 0.00 0.00 0.00 23.12 23.63 3ie0 s ALA 82 CO 0.20 -0.92 1.01 0.95 0.00 0.00 0.00 175.76 177.00 3ie0 s THR 83 N -3.64 4.45 0.28 0.00 -4.23 -1.22 -0.66 115.64 110.61 3ie0 s THR 83 Ca 0.08 1.05 -0.01 0.00 -1.18 0.00 0.00 61.69 61.63 3ie0 s THR 83 Cb -0.03 -3.69 0.31 0.00 1.34 0.00 0.00 72.50 70.43 3ie0 s THR 83 CO -0.01 -0.79 1.63 0.03 -0.54 0.00 0.00 174.62 174.94 3ie0 h ARG 84 N 0.44 0.15 -0.20 3.99 -0.00 -1.93 0.81 114.38 117.65 3ie0 h ARG 84 Ca -0.46 -0.01 0.04 0.00 -0.50 0.00 0.00 59.98 59.05 3ie0 h ARG 84 Cb 1.19 -0.03 -0.03 0.00 0.00 0.00 0.00 29.97 31.09 3ie0 h ARG 84 CO 0.61 0.10 -0.02 0.00 0.00 0.00 0.00 179.97 180.65 3ie0 h ALA 85 N 1.78 0.16 0.14 0.04 0.00 -1.89 0.76 119.26 120.24 3ie0 h ALA 85 Ca 0.52 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.50 3ie0 h ALA 85 Cb 1.01 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3ie0 h ALA 85 CO -0.69 -0.45 -0.15 1.15 0.00 0.00 0.00 179.25 179.11 3ie0 h THR 86 N 0.04 0.66 -0.72 0.00 2.02 -1.06 0.50 112.91 114.35 3ie0 h THR 86 Ca 0.09 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.42 3ie0 h THR 86 Cb 0.13 0.66 -0.10 0.00 -1.74 0.00 0.00 68.15 67.11 3ie0 h THR 86 CO -0.18 0.00 0.24 0.58 0.37 0.00 0.00 175.52 176.53 3ie0 h VAL 87 N -0.32 0.61 -0.01 3.16 2.07 -0.70 0.66 116.25 121.72 3ie0 h VAL 87 Ca 0.01 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3ie0 h VAL 87 Cb 0.31 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3ie0 h VAL 87 CO -0.05 0.07 -0.01 -0.07 0.02 0.00 0.00 177.57 177.53 3ie0 h LEU 88 N 0.36 0.02 0.22 2.57 3.38 -0.57 -2.99 115.31 118.30 3ie0 h LEU 88 Ca 0.40 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3ie0 h LEU 88 Cb 0.63 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3ie0 h LEU 88 CO -0.43 0.51 -0.14 -0.07 0.09 0.00 0.00 178.44 178.40 3ie0 h LEU 89 N -0.47 -0.35 -1.76 1.67 3.38 -0.50 -2.80 115.31 114.47 3ie0 h LEU 89 Ca 0.00 0.02 0.39 0.00 0.09 0.00 0.00 57.88 58.38 3ie0 h LEU 89 Cb 0.51 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 3ie0 h LEU 89 CO 0.00 -0.23 0.92 -0.03 0.09 0.00 0.00 178.44 179.20 3ie0 h MET 90 N -0.35 0.09 -0.40 1.13 4.05 0.28 0.20 114.93 119.92 3ie0 h MET 90 Ca -0.02 -0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 59.26 3ie0 h MET 90 Cb 0.30 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 3ie0 h MET 90 CO 0.02 0.06 -0.29 1.49 0.23 0.00 0.00 176.91 178.42 3ie0 h GLU 91 N 0.09 0.87 0.13 0.39 4.81 -1.34 -1.45 114.58 118.08 3ie0 h GLU 91 Ca 0.69 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 3ie0 h GLU 91 Cb 2.46 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.82 3ie0 h GLU 91 CO -0.14 1.05 -0.06 0.82 -0.73 0.00 0.00 179.01 179.94 3ie0 h ILE 92 N 0.74 1.05 -0.98 2.32 2.04 -0.72 -2.37 117.51 119.58 3ie0 h ILE 92 Ca 0.08 -1.05 0.20 0.00 1.00 0.00 0.00 64.86 65.10 3ie0 h ILE 92 Cb 0.85 1.66 -0.09 0.00 -0.74 0.00 0.00 36.82 38.50 3ie0 h ILE 92 CO 0.07 0.24 0.62 0.58 0.00 0.00 0.00 178.15 179.66 3ie0 h VAL 93 N -0.70 0.68 0.17 1.67 2.07 -1.28 -1.57 116.25 117.28 3ie0 h VAL 93 Ca -0.02 -0.21 -0.30 0.00 0.82 0.00 0.00 66.70 67.00 3ie0 h VAL 93 Cb 0.52 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3ie0 h VAL 93 CO 0.03 0.11 -1.44 -0.07 0.02 0.00 0.00 177.57 176.22 3ie0 h LEU 94 N 0.62 0.55 -0.35 2.57 4.07 -1.32 -2.75 115.31 118.70 3ie0 h LEU 94 Ca 0.55 -0.91 0.00 0.00 0.08 0.00 0.00 57.88 57.60 3ie0 h LEU 94 Cb 1.05 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.61 3ie0 h LEU 94 CO -0.31 1.65 0.00 -0.62 -1.08 0.00 0.00 178.44 178.09 3ie0 n GLU 95 N -3.82 0.09 -0.09 1.13 1.02 -0.89 -1.82 120.64 116.25 3ie0 n GLU 95 Ca -0.22 0.35 -0.23 0.00 -0.02 0.00 0.00 57.16 57.04 3ie0 n GLU 95 Cb 0.98 -1.68 -0.12 0.00 -0.02 0.00 0.00 31.44 30.60 3ie0 n GLU 95 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3ie0 n ASP 96 N -1.85 1.93 0.28 1.62 -0.08 -0.61 -3.55 116.55 114.30 3ie0 n ASP 96 Ca 0.03 0.34 0.13 0.00 -1.51 0.00 0.00 54.79 53.78 3ie0 n ASP 96 Cb 0.19 -0.90 0.82 0.00 2.34 0.00 0.00 41.12 43.57 3ie0 n ASP 96 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ie0 h ALA 97 N -0.44 1.55 -0.05 -1.67 0.00 -1.28 0.46 119.26 117.84 3ie0 h ALA 97 Ca -0.43 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3ie0 h ALA 97 Cb 1.52 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 3ie0 h ALA 97 CO -0.18 0.04 -0.05 1.25 0.00 0.00 0.00 179.25 180.31 3ie0 h LEU 98 N 0.00 0.13 0.21 0.00 6.46 -1.52 -3.28 115.31 117.31 3ie0 h LEU 98 Ca -0.00 -0.50 -0.01 0.00 -0.12 0.00 0.00 57.88 57.25 3ie0 h LEU 98 Cb 0.08 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 3ie0 h LEU 98 CO 0.00 0.61 -0.10 0.50 -0.62 0.00 0.00 178.44 178.83 3ie0 h LYS 99 N -0.34 -0.28 -3.88 1.25 3.64 -1.29 -3.36 116.57 112.32 3ie0 h LYS 99 Ca 0.01 0.02 -0.78 0.00 -1.27 0.00 0.00 60.65 58.63 3ie0 h LYS 99 Cb 0.57 0.06 -0.26 0.00 -0.41 0.00 0.00 32.23 32.19 3ie0 h LYS 99 CO 0.01 -0.18 0.00 0.08 -2.27 0.00 0.00 179.45 177.10 3ie0 s VAL 100 N -6.10 5.42 -0.30 2.00 1.01 0.04 -4.94 120.40 117.52 3ie0 s VAL 100 Ca -0.14 -2.30 -0.09 0.00 0.00 0.00 0.00 61.98 59.45 3ie0 s VAL 100 Cb 0.05 -4.38 0.18 0.00 0.00 0.00 0.00 36.38 32.23 3ie0 s VAL 100 CO 0.65 -0.99 0.86 -0.32 0.00 0.00 0.00 175.10 175.30 3ie0 s MET 101 N 0.45 0.36 0.04 2.72 0.00 -1.25 -4.65 119.30 116.98 3ie0 s MET 101 Ca 0.15 0.71 -0.32 0.00 0.00 0.00 0.00 55.69 56.23 3ie0 s MET 101 Cb -0.15 0.41 -0.18 0.00 0.00 0.00 0.00 34.83 34.91 3ie0 s MET 101 CO -0.06 -0.33 1.40 -0.44 0.00 0.00 0.00 175.02 175.59 3ie0 h ASP 102 N 7.91 -0.85 -3.92 1.11 3.32 -1.92 -3.37 116.42 118.70 3ie0 h ASP 102 Ca -0.17 0.01 -0.75 0.00 0.02 0.00 0.00 57.03 56.13 3ie0 h ASP 102 Cb 1.15 0.22 -0.29 0.00 0.22 0.00 0.00 39.33 40.63 3ie0 h ASP 102 CO 0.07 -0.53 -0.08 -1.61 -1.72 0.00 0.00 179.24 175.37 3ie0 s GLU 103 N -5.44 3.21 0.03 3.56 0.41 -1.26 -5.06 118.70 114.15 3ie0 s GLU 103 Ca -0.17 -2.47 -0.30 0.00 -0.41 0.00 0.00 54.97 51.62 3ie0 s GLU 103 Cb 0.02 -4.17 -0.05 0.00 -1.78 0.00 0.00 34.13 28.15 3ie0 s GLU 103 CO 0.54 -1.25 1.25 -1.25 -0.49 0.00 0.00 175.26 174.06 3ie0 s PRO 104 N 0.12 4.38 -0.20 0.39 0.04 -1.26 -4.93 135.00 133.54 3ie0 s PRO 104 Ca 0.17 1.81 0.16 0.00 0.04 0.00 0.00 61.00 63.18 3ie0 s PRO 104 Cb -0.14 -3.41 0.55 0.00 0.04 0.00 0.00 34.50 31.54 3ie0 s PRO 104 CO -0.07 -0.36 1.46 1.97 0.04 0.00 0.00 177.00 180.04 3ie0 n PHE 105 N 4.40 1.07 -3.63 0.56 1.16 -1.26 -4.96 117.46 114.80 3ie0 n PHE 105 Ca 0.10 -0.93 -0.03 0.00 -1.87 0.00 0.00 57.45 54.72 3ie0 n PHE 105 Cb 0.45 -0.35 -0.04 0.00 -1.61 0.00 0.00 39.48 37.94 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 -2.86 -0.08 0.00 2.97 -0.71 -1.26 -4.75 117.98 111.28 3ie0 s PHE 106 Ca 0.44 0.12 0.00 0.00 -1.04 0.00 0.00 56.93 56.44 3ie0 s PHE 106 Cb 0.35 0.49 0.00 0.00 -1.21 0.00 0.00 43.02 42.66 3ie0 s PHE 106 CO 0.09 -0.09 0.00 0.41 -1.34 0.00 0.00 175.22 174.28 3ie0 n GLY 107 N 0.35 6.57 0.17 1.99 0.00 -1.26 -5.03 105.19 107.98 3ie0 n GLY 107 Ca -0.00 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 3ie0 n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ie0 h PRO 108 N 0.00 0.49 -1.00 1.61 0.13 -2.00 -2.81 132.00 128.43 3ie0 h PRO 108 Ca 0.00 -0.19 0.23 0.00 -0.87 0.00 0.00 66.00 65.17 3ie0 h PRO 108 Cb 0.00 -0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.01 3ie0 h PRO 108 CO 0.00 0.71 0.63 0.93 -0.23 0.00 0.00 178.00 180.04 3ie0 h GLU 109 N 0.24 0.50 0.09 0.86 3.07 -2.00 -2.24 114.58 115.09 3ie0 h GLU 109 Ca 0.06 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3ie0 h GLU 109 Cb 0.53 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3ie0 h GLU 109 CO 0.03 0.33 -0.05 -0.44 -1.40 0.00 0.00 179.01 177.48 3ie0 h ASP 110 N 0.51 -0.11 -1.62 1.42 3.32 -1.85 -2.97 116.42 115.12 3ie0 h ASP 110 Ca 0.56 0.00 0.47 0.00 0.02 0.00 0.00 57.03 58.09 3ie0 h ASP 110 Cb 1.24 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.75 3ie0 h ASP 110 CO -0.30 -0.05 1.16 0.58 -1.72 0.00 0.00 179.24 178.91 3ie0 h VAL 111 N -0.18 0.17 0.00 -1.35 2.07 -1.25 1.33 116.25 117.05 3ie0 h VAL 111 Ca -0.01 -0.01 -0.20 0.00 0.82 0.00 0.00 66.70 67.31 3ie0 h VAL 111 Cb 0.10 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3ie0 h VAL 111 CO 0.02 0.00 -0.88 -0.08 0.02 0.00 0.00 177.57 176.66 3ie0 h GLU 112 N 0.01 0.17 -0.20 1.57 4.81 -1.46 -2.36 114.58 117.13 3ie0 h GLU 112 Ca 0.79 -0.19 -0.15 0.00 -0.13 0.00 0.00 59.36 59.68 3ie0 h GLU 112 Cb 3.09 0.06 0.00 0.00 0.63 0.00 0.00 28.75 32.53 3ie0 h GLU 112 CO -0.05 0.94 -0.45 1.49 -0.73 0.00 0.00 179.01 180.22 3ie0 h GLU 113 N 0.09 0.65 0.49 1.92 4.57 0.19 -1.49 114.58 121.00 3ie0 h GLU 113 Ca -0.04 -0.44 -0.02 0.00 -1.18 0.00 0.00 59.36 57.68 3ie0 h GLU 113 Cb 1.51 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.17 3ie0 h GLU 113 CO 0.13 1.06 -0.24 0.00 -1.18 0.00 0.00 179.01 178.78 3ie0 h ALA 114 N 0.59 -0.66 -0.62 2.92 0.00 -1.27 -2.57 119.26 117.65 3ie0 h ALA 114 Ca -0.00 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.87 3ie0 h ALA 114 Cb 1.06 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 3ie0 h ALA 114 CO 0.10 -0.84 0.42 -0.07 0.00 0.00 0.00 179.25 178.86 3ie0 h LEU 115 N -0.73 0.28 0.00 0.00 3.38 -1.47 0.10 115.31 116.87 3ie0 h LEU 115 Ca -0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ie0 h LEU 115 Cb 0.54 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3ie0 h LEU 115 CO 0.11 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.41 3ie0 n GLY 116 N -1.55 -0.96 0.33 0.83 0.00 -0.56 -2.75 105.19 100.54 3ie0 n GLY 116 Ca 0.11 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.04 3ie0 n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ie0 n HIS 117 N -1.20 0.17 -2.52 1.61 8.25 0.34 -5.01 115.22 116.86 3ie0 n HIS 117 Ca 0.13 -0.31 -0.42 0.00 -0.26 0.00 0.00 57.72 56.86 3ie0 n HIS 117 Cb 0.15 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 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 -0.83 4.39 -0.02 2.41 1.43 -1.11 -1.60 118.68 123.36 3ie0 s LEU 118 Ca 0.11 1.93 0.07 0.00 -1.03 0.00 0.00 54.13 55.21 3ie0 s LEU 118 Cb 0.06 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 3ie0 s LEU 118 CO 0.09 -0.36 -0.23 -0.13 0.23 0.00 0.00 176.35 175.95 3ie0 s ARG 119 N 0.77 1.84 0.32 1.70 0.52 -0.47 -4.91 118.95 118.71 3ie0 s ARG 119 Ca 0.55 -0.81 -0.27 0.00 -0.52 0.00 0.00 55.73 54.69 3ie0 s ARG 119 Cb -0.27 -1.77 -0.10 0.00 0.52 0.00 0.00 34.95 33.33 3ie0 s ARG 119 CO 0.30 0.48 0.97 -1.25 0.02 0.00 0.00 175.30 175.83 3ie0 s PRO 120 N -0.52 4.57 -0.23 3.54 0.04 -1.26 -2.34 135.00 138.80 3ie0 s PRO 120 Ca 0.08 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.52 3ie0 s PRO 120 Cb -0.09 -2.87 0.11 0.00 0.04 0.00 0.00 34.50 31.69 3ie0 s PRO 120 CO -0.01 0.24 0.27 -1.17 0.04 0.00 0.00 177.00 176.37 3ie0 s LEU 121 N -1.95 -0.23 0.00 -3.56 2.96 0.16 -4.84 118.68 111.22 3ie0 s LEU 121 Ca 0.49 -0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 54.06 3ie0 s LEU 121 Cb -0.22 0.54 0.11 0.00 0.50 0.00 0.00 46.19 47.13 3ie0 s LEU 121 CO 0.27 -0.34 0.69 -0.62 -1.32 0.00 0.00 176.35 175.03 3ie0 n GLU 122 N 5.32 -0.37 -2.23 1.98 -0.58 -1.26 -3.37 120.64 120.13 3ie0 n GLU 122 Ca -0.04 -1.34 -0.42 0.00 -0.42 0.00 0.00 57.16 54.94 3ie0 n GLU 122 Cb 0.49 -0.63 -0.03 0.00 -0.57 0.00 0.00 31.44 30.70 3ie0 n GLU 122 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3ie0 s TYR 123 N -2.28 3.28 -0.58 -0.32 2.02 -1.26 -3.40 117.35 114.81 3ie0 s TYR 123 Ca 0.41 1.13 -0.03 0.00 -0.37 0.00 0.00 57.07 58.21 3ie0 s TYR 123 Cb -0.02 -3.61 0.00 0.00 -0.40 0.00 0.00 41.96 37.94 3ie0 s TYR 123 CO 0.28 -1.98 0.45 0.41 -1.57 0.00 0.00 175.55 173.14 3ie0 n GLY 124 N 2.89 0.30 2.98 0.71 0.00 -1.22 -5.00 105.19 105.85 3ie0 n GLY 124 Ca 0.08 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 -5.45 1.60 -0.12 1.61 2.02 -1.22 -5.06 118.70 112.09 3ie0 s GLU 125 Ca 0.22 -0.35 -0.16 0.00 0.02 0.00 0.00 54.97 54.70 3ie0 s GLU 125 Cb -0.10 -1.42 -0.05 0.00 0.10 0.00 0.00 34.13 32.67 3ie0 s GLU 125 CO 0.28 -0.06 0.39 -1.58 0.02 0.00 0.00 175.26 174.30 3ie0 s TRP 126 N 0.96 3.52 -0.08 1.61 0.52 -1.26 -4.38 118.94 119.83 3ie0 s TRP 126 Ca -0.09 0.78 -0.12 0.00 0.02 0.00 0.00 56.10 56.68 3ie0 s TRP 126 Cb -0.15 -2.42 -0.05 0.00 -1.15 0.00 0.00 33.47 29.70 3ie0 s TRP 126 CO 0.00 0.27 0.30 -1.17 0.02 0.00 0.00 176.95 176.38 3ie0 s LEU 127 N 0.30 4.39 -0.21 2.99 2.96 0.16 -4.92 118.68 124.34 3ie0 s LEU 127 Ca 0.22 0.70 0.01 0.00 -0.22 0.00 0.00 54.13 54.83 3ie0 s LEU 127 Cb -0.14 -2.39 0.03 0.00 0.50 0.00 0.00 46.19 44.19 3ie0 s LEU 127 CO 0.08 0.28 -0.15 -0.13 -1.32 0.00 0.00 176.35 175.11 3ie0 s ARG 128 N -0.61 2.85 -0.26 1.98 1.81 -1.26 -1.12 118.95 122.33 3ie0 s ARG 128 Ca 0.19 -0.94 0.00 0.00 -1.72 0.00 0.00 55.73 53.27 3ie0 s ARG 128 Cb -0.14 -2.72 0.08 0.00 -0.45 0.00 0.00 34.95 31.71 3ie0 s ARG 128 CO 0.08 -0.31 0.02 -0.51 -0.68 0.00 0.00 175.30 173.91 3ie0 s LEU 129 N 1.27 2.49 0.00 2.53 1.43 -0.87 -5.00 118.68 120.53 3ie0 s LEU 129 Ca 0.02 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.73 3ie0 s LEU 129 Cb -0.15 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.04 3ie0 s LEU 129 CO -0.10 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.77 3ie0 n GLY 130 N 4.74 3.86 1.77 -3.19 0.00 -1.26 0.57 105.19 111.69 3ie0 n GLY 130 Ca -0.06 0.20 0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 12.32 3.97 -2.79 4.61 0.00 -1.22 -4.93 120.51 132.46 3ie0 n ALA 131 Ca 0.00 -2.12 -0.31 0.00 0.00 0.00 0.00 53.44 51.00 3ie0 n ALA 131 Cb 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.86 3.89 -0.12 0.00 2.96 0.19 -4.32 118.68 118.42 3ie0 s LEU 132 Ca 0.53 0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.49 3ie0 s LEU 132 Cb 0.41 -2.46 0.04 0.00 0.50 0.00 0.00 46.19 44.69 3ie0 s LEU 132 CO 0.14 0.21 0.04 -0.44 -1.32 0.00 0.00 176.35 174.98 3ie0 s SER 133 N -2.17 2.03 0.16 3.68 0.01 -0.79 -2.06 113.70 114.57 3ie0 s SER 133 Ca 0.28 -0.37 0.11 0.00 1.31 0.00 0.00 55.95 57.28 3ie0 s SER 133 Cb -0.12 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.67 3ie0 s SER 133 CO 0.20 -0.26 -0.25 -0.76 0.41 0.00 0.00 173.24 172.57 3ie0 s LEU 134 N 2.00 2.37 0.06 2.44 1.02 -0.28 -0.86 118.68 125.43 3ie0 s LEU 134 Ca 0.03 -0.80 -0.23 0.00 0.02 0.00 0.00 54.13 53.14 3ie0 s LEU 134 Cb -0.14 -1.19 0.06 0.00 0.02 0.00 0.00 46.19 44.94 3ie0 s LEU 134 CO -0.06 0.15 0.55 0.00 0.02 0.00 0.00 176.35 177.00 3ie0 s ALA 135 N -1.35 -1.40 0.34 4.21 0.00 -1.23 0.36 121.76 122.69 3ie0 s ALA 135 Ca 0.17 0.63 -0.03 0.00 0.00 0.00 0.00 51.96 52.73 3ie0 s ALA 135 Cb -0.09 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 3ie0 s ALA 135 CO 0.08 -0.54 0.58 -0.06 0.00 0.00 0.00 175.76 175.82 3ie0 s PHE 136 N -2.58 3.50 0.01 0.00 0.08 -1.26 -1.83 117.98 115.90 3ie0 s PHE 136 Ca -0.05 0.54 0.00 0.00 0.12 0.00 0.00 56.93 57.55 3ie0 s PHE 136 Cb -0.01 -2.04 -0.01 0.00 -0.57 0.00 0.00 43.02 40.39 3ie0 s PHE 136 CO -0.03 0.08 -0.02 0.20 -0.10 0.00 0.00 175.22 175.36 3ie0 s GLY 137 N -3.68 0.17 -0.17 4.36 0.00 -0.84 -3.44 107.32 103.71 3ie0 s GLY 137 Ca 0.43 -0.36 -0.34 0.00 0.00 0.00 0.00 44.72 44.45 3ie0 s GLY 137 CO 0.35 -0.39 1.97 -0.18 0.00 0.00 0.00 173.10 174.85 3ie0 n GLN 138 N 2.23 1.85 -0.05 2.90 -0.06 -1.26 -1.76 117.38 121.23 3ie0 n GLN 138 Ca -0.19 0.64 -0.00 0.00 -2.00 0.00 0.00 57.00 55.45 3ie0 n GLN 138 Cb 0.57 -2.63 -0.16 0.00 -4.06 0.00 0.00 30.24 23.96 3ie0 n GLN 138 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3ie0 n ALA 139 N 7.75 2.08 -3.42 1.69 0.00 -1.09 0.84 120.51 128.37 3ie0 n ALA 139 Ca 0.27 -0.94 -0.24 0.00 0.00 0.00 0.00 53.44 52.54 3ie0 n ALA 139 Cb 0.28 -0.48 0.06 0.00 0.00 0.00 0.00 19.45 19.31 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 1.52 -0.53 0.05 0.00 0.00 -1.26 -2.76 105.19 102.21 3ie0 n GLY 140 Ca -0.19 0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.77 0.00 -3.60 1.61 -0.00 -1.26 -3.16 115.22 104.04 3ie0 n HIS 141 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.57 3ie0 n HIS 141 Cb 0.58 -0.46 -0.04 0.00 -0.00 0.00 0.00 29.99 30.06 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 -4.78 0.18 -0.30 0.27 1.43 -1.26 -4.87 118.68 109.35 3ie0 s LEU 142 Ca -0.06 -0.15 -0.34 0.00 -1.03 0.00 0.00 54.13 52.55 3ie0 s LEU 142 Cb 0.03 1.98 -0.11 0.00 0.03 0.00 0.00 46.19 48.13 3ie0 s LEU 142 CO 0.37 -0.83 2.13 -2.65 0.23 0.00 0.00 176.35 175.61 3ie0 n PRO 143 N -0.06 1.34 -1.80 1.29 -0.02 -1.26 -0.27 135.00 134.21 3ie0 n PRO 143 Ca -0.17 0.39 -0.01 0.00 -2.02 0.00 0.00 63.50 61.69 3ie0 n PRO 143 Cb 0.63 -2.58 -0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 6.06 0.35 3.90 -1.23 0.00 -1.26 -4.07 105.19 108.94 3ie0 n GLY 144 Ca 0.37 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.95 6.47 0.29 1.61 1.04 0.63 -4.42 113.70 116.37 3ie0 s SER 145 Ca 0.00 0.65 -0.19 0.00 0.48 0.00 0.00 55.95 56.89 3ie0 s SER 145 Cb 0.00 -2.11 0.02 0.00 0.10 0.00 0.00 66.02 64.03 3ie0 s SER 145 CO 0.00 -0.09 0.70 0.00 0.98 0.00 0.00 173.24 174.83 3ie0 s ALA 146 N -1.90 -1.00 0.25 5.32 0.00 -0.06 -2.68 121.76 121.69 3ie0 s ALA 146 Ca 0.43 -0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.00 3ie0 s ALA 146 Cb -0.11 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 3ie0 s ALA 146 CO 0.27 -1.01 0.08 -0.59 0.00 0.00 0.00 175.76 174.52 3ie0 s PHE 147 N -3.66 2.89 0.17 0.00 -0.71 -0.72 -4.42 117.98 111.53 3ie0 s PHE 147 Ca 0.13 -0.16 0.03 0.00 -1.04 0.00 0.00 56.93 55.90 3ie0 s PHE 147 Cb -0.05 -1.31 -0.03 0.00 -1.21 0.00 0.00 43.02 40.42 3ie0 s PHE 147 CO 0.08 0.57 0.27 0.08 -1.34 0.00 0.00 175.22 174.88 3ie0 s VAL 148 N -2.16 5.15 -0.53 -2.49 1.01 0.59 -1.98 120.40 119.99 3ie0 s VAL 148 Ca 0.32 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.52 3ie0 s VAL 148 Cb -0.07 -3.68 0.17 0.00 0.00 0.00 0.00 36.38 32.79 3ie0 s VAL 148 CO 0.22 -0.14 0.40 -0.69 0.00 0.00 0.00 175.10 174.88 3ie0 s VAL 149 N -1.80 1.38 0.07 2.92 1.01 -0.76 -1.87 120.40 121.35 3ie0 s VAL 149 Ca 0.34 -3.29 -0.31 0.00 0.00 0.00 0.00 61.98 58.72 3ie0 s VAL 149 Cb -0.10 -1.93 -0.06 0.00 0.00 0.00 0.00 36.38 34.29 3ie0 s VAL 149 CO 0.28 -1.13 1.18 0.00 0.00 0.00 0.00 175.10 175.42 3ie0 s ALA 150 N -0.53 3.38 -0.16 5.51 0.00 -1.05 -3.53 121.76 125.38 3ie0 s ALA 150 Ca 0.29 0.83 -0.03 0.00 0.00 0.00 0.00 51.96 53.05 3ie0 s ALA 150 Cb -0.00 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.73 3ie0 s ALA 150 CO -0.18 -0.41 0.05 -1.14 0.00 0.00 0.00 175.76 174.08 3ie0 s GLN 151 N 0.97 0.42 -0.10 0.00 0.74 -0.04 -0.91 119.66 120.74 3ie0 s GLN 151 Ca 0.58 -0.19 -0.30 0.00 0.05 0.00 0.00 55.36 55.50 3ie0 s GLN 151 Cb -0.29 -1.75 0.12 0.00 1.10 0.00 0.00 33.01 32.19 3ie0 s GLN 151 CO 0.30 -0.58 0.97 0.20 -0.55 0.00 0.00 175.29 175.63 3ie0 s GLY 152 N 1.98 -0.36 -1.38 2.59 0.00 -0.71 -1.88 107.32 107.57 3ie0 s GLY 152 Ca 0.01 1.55 -0.08 0.00 0.00 0.00 0.00 44.72 46.20 3ie0 s GLY 152 CO -0.08 0.68 1.08 1.18 0.00 0.00 0.00 173.10 175.96 3ie0 n GLU 153 N 0.22 -6.98 -1.27 2.90 1.02 -1.26 -1.11 120.64 114.16 3ie0 n GLU 153 Ca -0.08 0.76 -0.09 0.00 -0.02 0.00 0.00 57.16 57.72 3ie0 n GLU 153 Cb 0.60 -5.74 -0.04 0.00 -0.02 0.00 0.00 31.44 26.24 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 -1.78 0.90 3.51 0.62 0.00 -1.26 -4.97 105.19 102.21 3ie0 n GLY 154 Ca -0.05 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.75 1.81 -0.06 1.61 1.81 -0.27 -5.10 118.95 116.01 3ie0 s ARG 155 Ca 0.00 -1.68 0.00 0.00 -1.72 0.00 0.00 55.73 52.34 3ie0 s ARG 155 Cb 0.00 -1.86 0.02 0.00 -0.45 0.00 0.00 34.95 32.66 3ie0 s ARG 155 CO 0.00 0.34 -0.03 0.99 -0.68 0.00 0.00 175.30 175.92 3ie0 s THR 156 N -2.42 0.49 0.25 0.02 2.01 -1.26 -1.73 115.64 113.00 3ie0 s THR 156 Ca 0.30 -0.04 0.11 0.00 0.31 0.00 0.00 61.69 62.37 3ie0 s THR 156 Cb -0.05 -0.56 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 3ie0 s THR 156 CO 0.16 0.24 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.00 3ie0 s LEU 157 N 1.33 2.88 -0.07 4.42 2.96 -0.08 -0.72 118.68 129.39 3ie0 s LEU 157 Ca -0.05 -0.80 -0.03 0.00 -0.22 0.00 0.00 54.13 53.04 3ie0 s LEU 157 Cb -0.13 -1.44 0.04 0.00 0.50 0.00 0.00 46.19 45.16 3ie0 s LEU 157 CO -0.02 0.04 0.15 -0.69 -1.32 0.00 0.00 176.35 174.51 3ie0 s VAL 158 N -2.26 -0.18 -0.40 1.68 1.01 -0.69 -2.53 120.40 117.04 3ie0 s VAL 158 Ca 0.29 0.29 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 3ie0 s VAL 158 Cb -0.06 -0.27 0.06 0.00 0.00 0.00 0.00 36.38 36.11 3ie0 s VAL 158 CO 0.17 0.12 0.22 -0.47 0.00 0.00 0.00 175.10 175.14 3ie0 s TYR 159 N 1.86 3.31 0.55 5.22 6.04 -0.78 0.03 117.35 133.58 3ie0 s TYR 159 Ca -0.02 -1.41 0.26 0.00 0.04 0.00 0.00 57.07 55.94 3ie0 s TYR 159 Cb -0.12 -2.75 1.44 0.00 -1.04 0.00 0.00 41.96 39.49 3ie0 s TYR 159 CO -0.06 -0.79 2.01 0.66 -1.54 0.00 0.00 175.55 175.83 3ie0 h SER 160 N 8.38 0.00 0.00 4.32 4.64 -1.82 0.17 113.55 129.24 3ie0 h SER 160 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3ie0 h SER 160 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3ie0 h SER 160 CO 0.72 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 3ie0 n GLY 161 N -1.58 4.29 3.02 -0.77 0.00 -1.26 -4.24 105.19 104.64 3ie0 n GLY 161 Ca 0.08 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 1.75 -0.17 1.61 -0.00 -1.26 -4.44 116.67 110.16 3ie0 s ASP 162 Ca 0.00 -0.29 -0.07 0.00 -0.00 0.00 0.00 52.55 52.18 3ie0 s ASP 162 Cb 0.00 -0.81 -0.04 0.00 -0.00 0.00 0.00 42.92 42.07 3ie0 s ASP 162 CO 0.00 0.03 0.08 -0.76 -0.00 0.00 0.00 175.17 174.51 3ie0 s LEU 163 N 0.70 3.93 0.00 1.23 2.01 -1.26 -4.36 118.68 120.93 3ie0 s LEU 163 Ca -0.14 0.16 0.00 0.00 0.01 0.00 0.00 54.13 54.16 3ie0 s LEU 163 Cb -0.16 -1.99 0.07 0.00 0.01 0.00 0.00 46.19 44.13 3ie0 s LEU 163 CO 0.03 0.22 0.48 0.61 1.01 0.00 0.00 176.35 178.70 3ie0 n GLY 164 N 3.25 0.77 3.54 -3.19 0.00 -1.11 0.03 105.19 108.47 3ie0 n GLY 164 Ca -0.17 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 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 -2.97 6.28 0.00 1.61 3.04 -1.21 -3.28 114.94 118.41 3ie0 s ASN 165 Ca 0.32 -0.35 0.04 0.00 0.04 0.00 0.00 52.86 52.91 3ie0 s ASN 165 Cb -0.02 -2.51 0.22 0.00 -1.54 0.00 0.00 41.25 37.40 3ie0 s ASN 165 CO 0.21 -1.57 0.56 -2.11 -3.04 0.00 0.00 177.10 171.16 3ie0 n ARG 166 N 8.51 0.25 -0.01 0.43 1.85 -1.26 -1.88 116.66 124.54 3ie0 n ARG 166 Ca 0.03 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.98 3ie0 n ARG 166 Cb 0.48 -1.23 -0.15 0.00 -1.05 0.00 0.00 32.46 30.51 3ie0 n ARG 166 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3ie0 n GLU 167 N -0.73 0.60 -0.69 2.89 1.02 -1.26 -4.84 120.64 117.62 3ie0 n GLU 167 Ca 0.03 -0.16 -0.29 0.00 -0.02 0.00 0.00 57.16 56.72 3ie0 n GLU 167 Cb 0.01 -1.47 0.25 0.00 -0.02 0.00 0.00 31.44 30.20 3ie0 n GLU 167 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3ie0 s LYS 168 N -3.33 -1.15 -0.18 3.49 1.02 -0.79 -4.85 119.74 113.97 3ie0 s LYS 168 Ca -0.05 0.52 0.04 0.00 0.02 0.00 0.00 55.97 56.50 3ie0 s LYS 168 Cb 0.13 -1.55 -0.13 0.00 -0.52 0.00 0.00 37.83 35.75 3ie0 s LYS 168 CO 0.84 -3.79 -0.11 -0.25 -0.92 0.00 0.00 175.35 171.11 3ie0 n ASP 169 N -4.92 2.29 0.08 2.83 10.43 -1.26 -4.76 116.55 121.25 3ie0 n ASP 169 Ca 0.06 -0.08 -0.14 0.00 2.57 0.00 0.00 54.79 57.20 3ie0 n ASP 169 Cb 0.57 -0.02 -0.07 0.00 1.84 0.00 0.00 41.12 43.43 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 0.17 -3.46 2.53 2.07 -1.95 -3.39 116.25 112.21 3ie0 h VAL 170 Ca -0.41 0.00 -0.50 0.00 0.82 0.00 0.00 66.70 66.61 3ie0 h VAL 170 Cb 1.70 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3ie0 h VAL 170 CO -0.04 0.00 0.03 -0.76 0.02 0.00 0.00 177.57 176.81 3ie0 s LEU 171 N -10.31 3.84 0.54 2.57 2.01 -1.26 0.05 118.68 116.12 3ie0 s LEU 171 Ca -0.16 0.91 -0.12 0.00 0.01 0.00 0.00 54.13 54.77 3ie0 s LEU 171 Cb 0.08 -3.80 -0.05 0.00 0.01 0.00 0.00 46.19 42.43 3ie0 s LEU 171 CO 0.64 -0.39 0.94 -2.16 1.01 0.00 0.00 176.35 176.39 3ie0 s PRO 172 N -4.08 3.72 0.51 1.29 0.04 -1.26 -4.41 135.00 130.82 3ie0 s PRO 172 Ca 0.47 0.69 -0.23 0.00 0.04 0.00 0.00 61.00 61.98 3ie0 s PRO 172 Cb -0.10 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 3ie0 s PRO 172 CO 0.35 -0.35 1.28 -0.25 0.04 0.00 0.00 177.00 178.07 3ie0 n ASP 173 N -2.12 2.39 -4.76 6.66 8.00 -1.26 -4.12 116.55 121.35 3ie0 n ASP 173 Ca 0.05 1.00 -0.38 0.00 0.71 0.00 0.00 54.79 56.17 3ie0 n ASP 173 Cb 0.54 -1.53 0.03 0.00 -0.02 0.00 0.00 41.12 40.14 3ie0 n ASP 173 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3ie0 s PRO 174 N -2.64 3.33 0.26 -0.24 0.02 -1.26 -4.57 135.00 129.89 3ie0 s PRO 174 Ca 0.69 2.13 -0.25 0.00 0.02 0.00 0.00 61.00 63.59 3ie0 s PRO 174 Cb -0.45 -2.32 -0.09 0.00 0.02 0.00 0.00 34.50 31.66 3ie0 s PRO 174 CO 0.52 -1.01 0.85 0.45 -0.33 0.00 0.00 177.00 177.48 3ie0 s SER 175 N -1.02 7.31 0.55 2.53 0.15 0.25 -4.97 113.70 118.50 3ie0 s SER 175 Ca 0.69 1.70 -0.21 0.00 0.70 0.00 0.00 55.95 58.84 3ie0 s SER 175 Cb -0.38 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.36 3ie0 s SER 175 CO 0.45 0.04 1.27 -0.76 1.20 0.00 0.00 173.24 175.44 3ie0 s LEU 176 N -1.75 3.80 0.77 3.45 1.43 -1.26 -4.86 118.68 120.26 3ie0 s LEU 176 Ca 0.44 2.55 -0.10 0.00 -1.03 0.00 0.00 54.13 55.99 3ie0 s LEU 176 Cb -0.20 -4.40 0.07 0.00 0.03 0.00 0.00 46.19 41.69 3ie0 s LEU 176 CO 0.25 -1.50 1.13 -2.16 0.23 0.00 0.00 176.35 174.29 3ie0 s PRO 177 N -3.05 2.09 0.74 1.29 0.04 -1.26 -5.00 135.00 129.84 3ie0 s PRO 177 Ca 0.73 0.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.69 3ie0 s PRO 177 Cb -0.35 -2.02 0.17 0.00 0.04 0.00 0.00 34.50 32.34 3ie0 s PRO 177 CO 0.40 -1.45 1.00 -0.35 0.04 0.00 0.00 177.00 176.63 3ie0 n PRO 178 N -3.18 -0.84 -2.64 0.56 -0.04 -1.26 -4.98 135.00 122.61 3ie0 n PRO 178 Ca 0.08 -1.71 -0.43 0.00 -0.04 0.00 0.00 63.50 61.40 3ie0 n PRO 178 Cb 0.61 -0.98 -0.02 0.00 -0.04 0.00 0.00 33.50 33.06 3ie0 n PRO 178 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ie0 s LEU 179 N 0.00 3.88 0.20 1.53 2.96 -1.26 -5.02 118.68 120.98 3ie0 s LEU 179 Ca 0.58 0.92 0.08 0.00 -0.22 0.00 0.00 54.13 55.49 3ie0 s LEU 179 Cb -0.02 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 3ie0 s LEU 179 CO 0.40 -0.94 -0.14 0.00 -1.32 0.00 0.00 176.35 174.35 3ie0 s ALA 180 N 3.78 2.01 -1.65 5.97 0.00 -1.26 -4.93 121.76 125.68 3ie0 s ALA 180 Ca 0.45 -1.66 0.30 0.00 0.00 0.00 0.00 51.96 51.05 3ie0 s ALA 180 Cb -0.11 -0.09 1.41 0.00 0.00 0.00 0.00 23.12 24.34 3ie0 s ALA 180 CO 0.18 0.07 1.97 -0.25 0.00 0.00 0.00 175.76 177.73 3ie0 n ASP 181 N -0.37 0.28 -3.64 0.00 9.92 0.10 -4.45 116.55 118.40 3ie0 n ASP 181 Ca -0.08 -0.52 -0.08 0.00 -0.53 0.00 0.00 54.79 53.58 3ie0 n ASP 181 Cb 0.60 -0.13 -0.07 0.00 -0.64 0.00 0.00 41.12 40.89 3ie0 n ASP 181 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3ie0 s LEU 182 N -2.42 -0.46 -0.07 0.64 2.96 -1.10 -4.57 118.68 113.65 3ie0 s LEU 182 Ca 0.32 0.85 0.01 0.00 -0.22 0.00 0.00 54.13 55.09 3ie0 s LEU 182 Cb 0.20 1.84 0.02 0.00 0.50 0.00 0.00 46.19 48.76 3ie0 s LEU 182 CO 0.45 -0.14 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.57 3ie0 s VAL 183 N 0.46 0.83 -1.08 1.68 1.01 -0.90 -1.70 120.40 120.70 3ie0 s VAL 183 Ca 0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 3ie0 s VAL 183 Cb -0.05 -0.83 0.31 0.00 0.00 0.00 0.00 36.38 35.82 3ie0 s VAL 183 CO -0.08 0.30 1.51 -0.11 0.00 0.00 0.00 175.10 176.72 3ie0 n LEU 184 N 4.26 6.50 -4.80 3.92 7.94 0.10 -0.46 117.00 134.46 3ie0 n LEU 184 Ca -0.20 -5.23 -0.34 0.00 -1.11 0.00 0.00 56.01 49.13 3ie0 n LEU 184 Cb 0.51 -1.26 -0.05 0.00 0.53 0.00 0.00 43.42 43.15 3ie0 n LEU 184 CO 0.21 1.72 0.70 0.00 -1.11 0.00 0.00 177.39 178.91 3ie0 s ALA 185 N -2.91 2.96 0.84 1.96 0.00 -0.98 -2.81 121.76 120.82 3ie0 s ALA 185 Ca 0.31 0.56 -0.08 0.00 0.00 0.00 0.00 51.96 52.75 3ie0 s ALA 185 Cb 0.06 -3.23 0.16 0.00 0.00 0.00 0.00 23.12 20.11 3ie0 s ALA 185 CO 0.10 -0.16 1.16 -1.83 0.00 0.00 0.00 175.76 175.03 3ie0 s GLU 186 N -3.06 1.20 -0.38 0.00 -1.05 -1.26 -1.91 118.70 112.24 3ie0 s GLU 186 Ca 0.64 -0.72 0.06 0.00 -0.15 0.00 0.00 54.97 54.79 3ie0 s GLU 186 Cb -0.15 -2.09 0.28 0.00 -0.44 0.00 0.00 34.13 31.73 3ie0 s GLU 186 CO 0.19 -1.91 1.23 0.41 0.95 0.00 0.00 175.26 176.14 3ie0 n GLY 187 N -3.30 0.15 0.28 -3.83 0.00 -0.71 -4.77 105.19 93.01 3ie0 n GLY 187 Ca 0.15 0.10 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 3ie0 n GLY 187 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ie0 h THR 188 N 1.51 1.21 -2.24 2.61 2.02 -1.79 -3.19 112.91 113.05 3ie0 h THR 188 Ca -0.33 -0.54 -0.60 0.00 0.77 0.00 0.00 66.41 65.71 3ie0 h THR 188 Cb 1.23 0.34 -0.42 0.00 -1.74 0.00 0.00 68.15 67.56 3ie0 h THR 188 CO -0.05 0.24 -0.60 -1.22 0.37 0.00 0.00 175.52 174.25 3ie0 n TYR 189 N -4.51 3.82 -1.09 3.16 4.02 -1.26 -4.74 117.16 116.57 3ie0 n TYR 189 Ca 0.05 -4.08 -0.02 0.00 -0.01 0.00 0.00 57.90 53.85 3ie0 n TYR 189 Cb 0.09 -0.54 0.29 0.00 -0.02 0.00 0.00 39.34 39.16 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 0.39 3.90 0.01 2.72 0.00 -1.20 -0.24 105.19 110.76 3ie0 n GLY 190 Ca 0.30 -1.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.34 4.41 -3.63 1.61 3.85 -1.26 -1.47 116.55 119.71 3ie0 n ASP 191 Ca 0.35 0.00 -0.12 0.00 -0.71 0.00 0.00 54.79 54.31 3ie0 n ASP 191 Cb 1.22 0.74 -0.07 0.00 -1.35 0.00 0.00 41.12 41.65 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 -2.10 0.72 0.45 0.11 1.04 -1.26 -5.02 118.95 112.89 3ie0 s ARG 192 Ca -0.01 0.90 -0.07 0.00 -1.04 0.00 0.00 55.73 55.51 3ie0 s ARG 192 Cb 0.01 0.32 0.11 0.00 -2.04 0.00 0.00 34.95 33.36 3ie0 s ARG 192 CO 0.10 -0.09 0.34 -0.35 -0.04 0.00 0.00 175.30 175.26 3ie0 n PRO 193 N 2.77 -2.19 -3.69 3.89 -0.04 -1.26 -3.86 135.00 130.63 3ie0 n PRO 193 Ca -0.14 -0.56 -0.21 0.00 -0.04 0.00 0.00 63.50 62.55 3ie0 n PRO 193 Cb 0.56 -0.59 -0.03 0.00 -0.04 0.00 0.00 33.50 33.40 3ie0 n PRO 193 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3ie0 s HIS 194 N -1.56 2.80 0.06 0.54 3.76 -1.26 -4.82 115.29 114.80 3ie0 s HIS 194 Ca 0.24 -0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 54.47 3ie0 s HIS 194 Cb -0.03 -1.99 -0.05 0.00 1.11 0.00 0.00 32.58 31.62 3ie0 s HIS 194 CO 0.19 0.03 0.88 1.03 -0.85 0.00 0.00 174.74 176.02 3ie0 s ARG 195 N -4.06 4.59 0.09 1.40 0.52 0.35 -4.95 118.95 116.89 3ie0 s ARG 195 Ca 0.45 1.28 -0.28 0.00 -0.52 0.00 0.00 55.73 56.66 3ie0 s ARG 195 Cb -0.04 -3.39 -0.15 0.00 0.52 0.00 0.00 34.95 31.88 3ie0 s ARG 195 CO 0.27 0.19 0.63 -2.30 0.02 0.00 0.00 175.30 174.11 3ie0 n PRO 196 N 3.03 0.00 0.24 3.54 -0.02 -1.26 -4.20 135.00 136.33 3ie0 n PRO 196 Ca 0.01 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.56 3ie0 n PRO 196 Cb 0.50 -1.02 0.59 0.00 -0.02 0.00 0.00 33.50 33.55 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 1.56 0.00 0.10 6.00 5.03 -1.88 -3.11 116.97 124.66 3ie0 h TYR 197 Ca -0.32 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 60.99 3ie0 h TYR 197 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.48 3ie0 h TYR 197 CO 0.41 0.11 -0.05 0.00 -1.32 0.00 0.00 178.16 177.31 3ie0 h ARG 198 N 0.00 -0.13 -0.33 1.82 3.08 -1.91 -2.33 114.38 114.58 3ie0 h ARG 198 Ca -0.00 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.15 3ie0 h ARG 198 Cb 0.21 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3ie0 h ARG 198 CO 0.01 -0.09 0.40 1.05 -1.07 0.00 0.00 179.97 180.28 3ie0 h GLU 199 N -0.14 0.00 -0.34 0.04 4.11 -1.94 0.27 114.58 116.57 3ie0 h GLU 199 Ca -0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.28 3ie0 h GLU 199 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3ie0 h GLU 199 CO 0.02 0.00 -0.34 1.15 0.07 0.00 0.00 179.01 179.91 3ie0 h THR 200 N 0.00 1.28 -0.17 -1.06 2.02 -1.45 -0.02 112.91 113.51 3ie0 h THR 200 Ca 0.15 -1.50 -0.14 0.00 0.77 0.00 0.00 66.41 65.70 3ie0 h THR 200 Cb 0.95 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 3ie0 h THR 200 CO -0.00 0.49 -0.42 0.58 0.37 0.00 0.00 175.52 176.54 3ie0 h VAL 201 N 0.65 1.34 -0.30 3.16 2.07 0.07 -0.51 116.25 122.72 3ie0 h VAL 201 Ca 0.07 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.91 3ie0 h VAL 201 Cb 0.88 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 3ie0 h VAL 201 CO 0.08 0.51 0.20 0.03 0.02 0.00 0.00 177.57 178.41 3ie0 h ARG 202 N 0.23 0.40 0.00 1.57 3.08 -1.26 0.11 114.38 118.52 3ie0 h ARG 202 Ca -0.01 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3ie0 h ARG 202 Cb 1.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 3ie0 h ARG 202 CO 0.09 0.27 -0.24 1.49 -1.07 0.00 0.00 179.97 180.52 3ie0 h GLU 203 N 0.41 0.00 0.00 0.04 4.81 -0.98 -0.76 114.58 118.11 3ie0 h GLU 203 Ca 0.11 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 3ie0 h GLU 203 Cb -0.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3ie0 h GLU 203 CO -0.02 0.24 -0.35 0.35 -0.73 0.00 0.00 179.01 178.50 3ie0 h PHE 204 N 0.00 0.00 0.00 0.92 -0.00 -0.11 -3.08 116.94 114.67 3ie0 h PHE 204 Ca -0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.97 57.78 3ie0 h PHE 204 Cb 0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.36 3ie0 h PHE 204 CO 0.00 0.35 -1.03 -0.07 -0.00 0.00 0.00 178.31 177.55 3ie0 h LEU 205 N 0.00 0.00 0.52 0.59 3.38 0.55 -3.06 115.31 117.28 3ie0 h LEU 205 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3ie0 h LEU 205 Cb 1.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.78 3ie0 h LEU 205 CO 0.04 0.78 -0.25 -0.33 0.09 0.00 0.00 178.44 178.78 3ie0 h GLU 206 N 0.00 -0.67 -0.34 1.13 5.08 -1.15 -3.29 114.58 115.34 3ie0 h GLU 206 Ca -0.08 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3ie0 h GLU 206 Cb 1.66 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 31.01 3ie0 h GLU 206 CO 0.09 -0.44 -0.28 0.82 -1.00 0.00 0.00 179.01 178.19 3ie0 h ILE 207 N -0.75 0.00 -0.87 3.13 2.04 -1.67 -2.39 117.51 117.00 3ie0 h ILE 207 Ca -0.07 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.00 3ie0 h ILE 207 Cb 0.53 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.45 3ie0 h ILE 207 CO 0.12 0.00 -0.09 0.18 0.00 0.00 0.00 178.15 178.36 3ie0 n LEU 208 N -4.06 -0.20 0.08 1.44 4.77 -1.16 -1.60 117.00 116.29 3ie0 n LEU 208 Ca -0.00 1.49 -0.20 0.00 -0.03 0.00 0.00 56.01 57.27 3ie0 n LEU 208 Cb 0.15 -0.50 -0.15 0.00 -2.33 0.00 0.00 43.42 40.59 3ie0 n LEU 208 CO -0.04 -1.47 -0.36 -0.08 -1.33 0.00 0.00 177.39 174.12 3ie0 h GLU 209 N 0.00 0.34 -0.69 3.23 4.81 -1.58 -2.68 114.58 118.00 3ie0 h GLU 209 Ca 0.48 -0.58 0.14 0.00 -0.13 0.00 0.00 59.36 59.27 3ie0 h GLU 209 Cb 0.89 0.21 -0.13 0.00 0.63 0.00 0.00 28.75 30.35 3ie0 h GLU 209 CO -0.86 1.23 -0.19 -0.22 -0.73 0.00 0.00 179.01 178.25 3ie0 h LYS 210 N 0.09 -0.01 0.23 1.92 1.63 -0.78 0.19 116.57 119.84 3ie0 h LYS 210 Ca -0.27 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.20 3ie0 h LYS 210 Cb 2.06 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 33.72 3ie0 h LYS 210 CO 0.19 -0.01 -1.51 1.79 -3.45 0.00 0.00 179.45 176.46 3ie0 h THR 211 N -0.01 1.24 -0.11 1.00 1.35 -1.64 -3.33 112.91 111.40 3ie0 h THR 211 Ca 0.33 -2.71 0.00 0.00 -0.55 0.00 0.00 66.41 63.48 3ie0 h THR 211 Cb 0.51 2.98 -0.01 0.00 -1.73 0.00 0.00 68.15 69.91 3ie0 h THR 211 CO -0.71 0.83 0.06 -0.07 -0.25 0.00 0.00 175.52 175.37 3ie0 h LEU 212 N 0.13 0.10 -1.79 3.87 3.38 -1.06 -0.59 115.31 119.35 3ie0 h LEU 212 Ca -0.26 0.00 0.24 0.00 0.09 0.00 0.00 57.88 57.95 3ie0 h LEU 212 Cb 2.14 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.82 3ie0 h LEU 212 CO 0.25 0.07 0.63 0.28 0.09 0.00 0.00 178.44 179.77 3ie0 h SER 213 N 0.13 0.17 -0.74 -0.43 0.02 -0.78 0.44 113.55 112.35 3ie0 h SER 213 Ca 0.04 0.02 -0.33 0.00 -0.84 0.00 0.00 61.79 60.69 3ie0 h SER 213 Cb -0.00 -0.01 -0.20 0.00 0.14 0.00 0.00 62.40 62.34 3ie0 h SER 213 CO -0.02 0.06 0.42 0.00 -1.14 0.00 0.00 176.83 176.14 3ie0 n GLN 214 N -4.37 2.55 -0.51 3.45 10.64 -0.94 -4.88 117.38 123.31 3ie0 n GLN 214 Ca 0.19 -2.51 0.00 0.00 -1.83 0.00 0.00 57.00 52.85 3ie0 n GLN 214 Cb 0.87 -2.01 0.00 0.00 -0.86 0.00 0.00 30.24 28.24 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 -0.53 0.60 3.84 2.61 0.00 0.14 -4.97 105.19 106.88 3ie0 n GLY 215 Ca 0.43 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 1.63 0.29 -0.02 0.00 -0.27 -2.73 107.32 104.22 3ie0 s GLY 216 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.55 3ie0 s GLY 216 CO 0.00 0.19 0.39 0.28 0.00 0.00 0.00 173.10 173.96 3ie0 n LYS 217 N -3.21 0.59 -3.32 2.90 5.02 -1.23 -3.72 118.16 115.19 3ie0 n LYS 217 Ca 0.07 -1.30 -0.10 0.00 -2.02 0.00 0.00 58.31 54.96 3ie0 n LYS 217 Cb 0.56 -0.19 -0.07 0.00 -0.02 0.00 0.00 35.03 35.31 3ie0 n LYS 217 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ie0 s VAL 218 N -0.87 -0.60 -0.19 -0.18 1.01 -0.72 -2.68 120.40 116.16 3ie0 s VAL 218 Ca 0.28 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 3ie0 s VAL 218 Cb -0.02 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3ie0 s VAL 218 CO 0.18 -0.29 0.47 -0.76 0.00 0.00 0.00 175.10 174.70 3ie0 s LEU 219 N 2.52 4.16 -0.24 3.92 1.02 -0.93 -1.94 118.68 127.19 3ie0 s LEU 219 Ca 0.10 0.64 -0.00 0.00 0.02 0.00 0.00 54.13 54.88 3ie0 s LEU 219 Cb -0.13 -2.64 0.07 0.00 0.02 0.00 0.00 46.19 43.51 3ie0 s LEU 219 CO -0.29 -0.12 0.00 -0.63 0.02 0.00 0.00 176.35 175.33 3ie0 s ILE 220 N 1.41 1.19 -0.06 -0.59 1.01 -0.61 -0.09 121.20 123.45 3ie0 s ILE 220 Ca 0.23 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.45 3ie0 s ILE 220 Cb -0.15 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 3ie0 s ILE 220 CO 0.09 -0.25 1.27 -2.16 0.00 0.00 0.00 174.94 173.89 3ie0 s PRO 221 N 1.53 4.31 0.03 2.79 0.04 -1.23 -3.31 135.00 139.16 3ie0 s PRO 221 Ca -0.01 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 62.75 3ie0 s PRO 221 Cb -0.18 -3.61 -0.02 0.00 0.04 0.00 0.00 34.50 30.74 3ie0 s PRO 221 CO -0.10 -0.53 0.06 0.95 0.04 0.00 0.00 177.00 177.41 3ie0 s THR 222 N 2.53 0.14 0.15 1.26 -4.23 -0.66 -4.42 115.64 110.40 3ie0 s THR 222 Ca 0.58 -1.12 -0.29 0.00 -1.18 0.00 0.00 61.69 59.68 3ie0 s THR 222 Cb -0.26 -0.80 -0.07 0.00 1.34 0.00 0.00 72.50 72.71 3ie0 s THR 222 CO 0.22 -0.62 0.92 -0.36 -0.54 0.00 0.00 174.62 174.24 3ie0 s PHE 223 N -2.44 3.87 -0.81 3.99 0.40 -1.26 -3.79 117.98 117.94 3ie0 s PHE 223 Ca -0.07 1.79 0.00 0.00 -0.60 0.00 0.00 56.93 58.05 3ie0 s PHE 223 Cb -0.02 -2.98 0.00 0.00 0.51 0.00 0.00 43.02 40.53 3ie0 s PHE 223 CO -0.04 0.33 0.59 0.00 0.70 0.00 0.00 175.22 176.80 3ie0 n ALA 224 N 2.25 2.50 0.11 5.36 0.00 -1.26 -2.22 120.51 127.24 3ie0 n ALA 224 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3ie0 n ALA 224 Cb 0.49 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.84 3ie0 n ALA 224 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ie0 n VAL 225 N 0.10 0.00 0.00 0.00 0.31 -1.26 -4.21 118.33 113.27 3ie0 n VAL 225 Ca 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 3ie0 n VAL 225 Cb 0.30 0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 3ie0 n VAL 225 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3ie0 n GLU 226 N -1.82 0.00 -0.17 5.55 0.00 -1.24 -4.96 120.64 118.00 3ie0 n GLU 226 Ca -0.01 0.00 0.20 0.00 0.00 0.00 0.00 57.16 57.34 3ie0 n GLU 226 Cb 0.31 0.00 0.57 0.00 0.00 0.00 0.00 31.44 32.32 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 0.27 0.19 5.31 9.65 -1.93 -0.51 114.38 127.36 3ie0 h ARG 227 Ca 0.00 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3ie0 h ARG 227 Cb 0.00 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 3ie0 h ARG 227 CO 0.00 0.18 -0.09 0.00 2.80 0.00 0.00 179.97 182.85 3ie0 h ALA 228 N 1.63 -0.26 0.00 2.80 0.00 -1.77 -2.78 119.26 118.88 3ie0 h ALA 228 Ca 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3ie0 h ALA 228 Cb 1.15 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ie0 h ALA 228 CO -0.10 -0.61 0.00 0.00 0.00 0.00 0.00 179.25 178.53 3ie0 n GLN 229 N -5.17 0.21 0.00 0.00 0.00 -0.74 -2.17 117.38 109.52 3ie0 n GLN 229 Ca -0.09 0.27 0.13 0.00 0.00 0.00 0.00 57.00 57.31 3ie0 n GLN 229 Cb 0.15 -1.80 0.61 0.00 0.00 0.00 0.00 30.24 29.21 3ie0 n GLN 229 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 3ie0 n GLU 230 N -2.17 0.16 -0.13 2.61 2.13 -0.28 -2.12 120.64 120.84 3ie0 n GLU 230 Ca 0.04 0.04 -0.27 0.00 0.66 0.00 0.00 57.16 57.63 3ie0 n GLU 230 Cb 0.35 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.47 3ie0 n GLU 230 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3ie0 n ILE 231 N -1.41 1.42 0.00 6.31 2.08 -0.99 -4.00 119.36 122.77 3ie0 n ILE 231 Ca 0.09 -0.34 0.00 0.00 0.56 0.00 0.00 62.75 63.06 3ie0 n ILE 231 Cb 0.27 -1.87 0.00 0.00 -0.75 0.00 0.00 39.64 37.29 3ie0 n ILE 231 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3ie0 n LEU 232 N -4.17 0.00 -0.09 1.39 4.77 -0.92 -0.53 117.00 117.45 3ie0 n LEU 232 Ca -0.50 0.07 -0.21 0.00 -0.03 0.00 0.00 56.01 55.35 3ie0 n LEU 232 Cb 0.85 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.74 3ie0 n LEU 232 CO 0.03 -0.07 -1.17 0.00 -1.33 0.00 0.00 177.39 174.85 3ie0 n TYR 233 N -1.07 0.39 0.20 -1.77 9.36 -0.90 -3.30 117.16 120.08 3ie0 n TYR 233 Ca 0.00 0.09 0.08 0.00 3.32 0.00 0.00 57.90 61.39 3ie0 n TYR 233 Cb 0.00 -1.05 0.39 0.00 -0.63 0.00 0.00 39.34 38.05 3ie0 n TYR 233 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3ie0 h VAL 234 N -0.15 0.74 -0.11 2.97 2.07 -0.94 0.15 116.25 120.97 3ie0 h VAL 234 Ca -0.54 -1.33 -0.10 0.00 0.82 0.00 0.00 66.70 65.55 3ie0 h VAL 234 Cb 1.87 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 3ie0 h VAL 234 CO -0.09 0.30 -0.31 -0.07 0.02 0.00 0.00 177.57 177.42 3ie0 h LEU 235 N 0.00 0.45 -0.65 2.57 3.38 -1.35 0.15 115.31 119.87 3ie0 h LEU 235 Ca -0.00 -0.60 -0.12 0.00 0.09 0.00 0.00 57.88 57.25 3ie0 h LEU 235 Cb 0.82 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3ie0 h LEU 235 CO 0.04 0.97 -0.20 0.22 0.09 0.00 0.00 178.44 179.56 3ie0 h TYR 236 N -0.04 0.96 0.11 1.13 3.20 -1.47 0.43 116.97 121.28 3ie0 h TYR 236 Ca -0.01 -0.22 -0.27 0.00 3.14 0.00 0.00 58.73 61.38 3ie0 h TYR 236 Cb 0.92 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.96 3ie0 h TYR 236 CO 0.11 0.97 -1.25 1.79 -1.64 0.00 0.00 178.16 178.14 3ie0 h THR 237 N 0.75 1.48 -0.00 1.81 1.35 -0.72 -3.36 112.91 114.20 3ie0 h THR 237 Ca 0.11 -3.08 -0.00 0.00 -0.55 0.00 0.00 66.41 62.89 3ie0 h THR 237 Cb 0.73 2.90 -0.00 0.00 -1.73 0.00 0.00 68.15 70.04 3ie0 h THR 237 CO 0.06 0.89 -0.14 1.41 -0.25 0.00 0.00 175.52 177.48 3ie0 n HIS 238 N -3.49 0.01 -0.58 4.73 8.25 0.53 -4.71 115.22 119.97 3ie0 n HIS 238 Ca -0.08 -1.14 -0.02 0.00 -0.26 0.00 0.00 57.72 56.22 3ie0 n HIS 238 Cb 1.01 -0.18 0.27 0.00 1.12 0.00 0.00 29.99 32.21 3ie0 n HIS 238 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ie0 n GLY 239 N -1.34 3.06 0.68 -1.41 0.00 0.15 -4.05 105.19 102.28 3ie0 n GLY 239 Ca 0.17 -0.77 0.08 0.00 0.00 0.00 0.00 46.02 45.50 3ie0 n GLY 239 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3ie0 n HIS 240 N 0.12 0.41 -0.45 1.61 1.44 -1.26 -3.71 115.22 113.37 3ie0 n HIS 240 Ca 0.29 -0.21 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 3ie0 n HIS 240 Cb 1.13 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.24 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 0.57 0.53 -3.01 -1.40 1.85 -1.26 -5.08 116.66 108.86 3ie0 n ARG 241 Ca 0.14 -0.11 -0.39 0.00 -1.00 0.00 0.00 57.85 56.49 3ie0 n ARG 241 Cb 0.34 -0.51 -0.06 0.00 -1.05 0.00 0.00 32.46 31.19 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 -0.21 4.57 0.56 2.89 1.43 -1.24 -5.04 118.68 121.64 3ie0 s LEU 242 Ca 0.00 1.61 -0.20 0.00 -1.03 0.00 0.00 54.13 54.50 3ie0 s LEU 242 Cb 0.00 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 3ie0 s LEU 242 CO 0.00 0.20 1.26 -2.16 0.23 0.00 0.00 176.35 175.88 3ie0 s PRO 243 N -1.22 3.10 -0.26 1.29 0.04 -1.26 -4.86 135.00 131.82 3ie0 s PRO 243 Ca 0.36 1.98 -0.32 0.00 0.04 0.00 0.00 61.00 63.06 3ie0 s PRO 243 Cb -0.22 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 3ie0 s PRO 243 CO 0.25 -1.15 2.18 0.54 0.04 0.00 0.00 177.00 178.87 3ie0 n ARG 244 N -1.27 1.59 -3.66 4.56 5.12 -1.26 -4.92 116.66 116.81 3ie0 n ARG 244 Ca 0.12 0.45 -0.08 0.00 -1.93 0.00 0.00 57.85 56.41 3ie0 n ARG 244 Cb 0.48 -2.84 -0.08 0.00 -1.16 0.00 0.00 32.46 28.85 3ie0 n ARG 244 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ie0 s ALA 245 N 7.52 -1.52 -0.10 7.54 0.00 -1.26 -4.93 121.76 129.00 3ie0 s ALA 245 Ca 1.04 2.01 -0.29 0.00 0.00 0.00 0.00 51.96 54.71 3ie0 s ALA 245 Cb -0.60 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.21 3ie0 s ALA 245 CO 0.43 -0.42 1.63 -1.25 0.00 0.00 0.00 175.76 176.15 3ie0 s PRO 246 N 1.74 4.08 -0.43 0.00 0.04 -1.26 -4.81 135.00 134.36 3ie0 s PRO 246 Ca -0.09 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 62.76 3ie0 s PRO 246 Cb -0.07 -3.99 0.02 0.00 0.04 0.00 0.00 34.50 30.50 3ie0 s PRO 246 CO -0.17 -0.96 0.72 0.42 0.04 0.00 0.00 177.00 177.05 3ie0 s ILE 247 N 4.35 4.75 -0.03 0.56 1.01 -0.87 -3.73 121.20 127.24 3ie0 s ILE 247 Ca 0.72 0.35 -0.15 0.00 0.00 0.00 0.00 60.65 61.58 3ie0 s ILE 247 Cb -0.31 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 37.87 3ie0 s ILE 247 CO 0.28 -0.61 0.40 -0.31 0.00 0.00 0.00 174.94 174.70 3ie0 s TYR 248 N 3.04 3.67 -0.57 3.97 1.51 -0.73 -1.02 117.35 127.22 3ie0 s TYR 248 Ca 0.27 0.93 -0.12 0.00 -1.01 0.00 0.00 57.07 57.14 3ie0 s TYR 248 Cb -0.13 -2.32 0.15 0.00 -0.11 0.00 0.00 41.96 39.55 3ie0 s TYR 248 CO 0.20 0.55 0.48 -1.17 -1.11 0.00 0.00 175.55 174.50 3ie0 s LEU 249 N -0.70 6.02 -1.06 -1.29 2.96 0.92 -3.00 118.68 122.53 3ie0 s LEU 249 Ca 0.23 -2.11 -0.18 0.00 -0.22 0.00 0.00 54.13 51.85 3ie0 s LEU 249 Cb -0.16 -2.10 0.12 0.00 0.50 0.00 0.00 46.19 44.55 3ie0 s LEU 249 CO 0.12 -0.70 1.33 -1.81 -1.32 0.00 0.00 176.35 173.97 3ie0 s ASP 250 N 2.69 6.75 0.00 3.68 1.11 -0.32 -2.20 116.67 128.39 3ie0 s ASP 250 Ca 0.08 -2.26 0.00 0.00 0.18 0.00 0.00 52.55 50.55 3ie0 s ASP 250 Cb -0.24 -2.45 0.00 0.00 1.07 0.00 0.00 42.92 41.31 3ie0 s ASP 250 CO -0.01 -1.06 0.00 -0.24 1.18 0.00 0.00 175.17 175.04 3ie0 n SER 251 N 6.87 0.00 -0.19 0.27 2.88 -1.25 -3.99 113.62 118.20 3ie0 n SER 251 Ca 0.32 0.00 0.27 0.00 -1.33 0.00 0.00 58.87 58.13 3ie0 n SER 251 Cb 0.47 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 64.63 3ie0 n SER 251 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3ie0 h PRO 252 N 0.00 0.06 0.07 -1.46 0.11 -1.84 -2.04 132.00 126.91 3ie0 h PRO 252 Ca 0.00 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3ie0 h PRO 252 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 3ie0 h PRO 252 CO 0.00 0.04 -0.04 1.98 -0.21 0.00 0.00 178.00 179.77 3ie0 h MET 253 N 0.06 -0.10 0.00 1.05 4.05 -1.95 -2.96 114.93 115.08 3ie0 h MET 253 Ca 0.44 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.87 3ie0 h MET 253 Cb 1.65 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.47 3ie0 h MET 253 CO -0.04 0.44 0.36 0.00 0.23 0.00 0.00 176.91 177.90 3ie0 h ALA 254 N -0.28 1.30 0.15 0.39 0.00 -1.55 0.32 119.26 119.59 3ie0 h ALA 254 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 3ie0 h ALA 254 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ie0 h ALA 254 CO 0.02 -0.30 -1.76 0.78 0.00 0.00 0.00 179.25 177.99 3ie0 h GLY 255 N 0.00 0.37 2.00 0.00 0.00 -1.45 -2.15 103.07 101.85 3ie0 h GLY 255 Ca 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 47.33 46.37 3ie0 h GLY 255 CO 0.00 0.83 -0.05 3.21 0.00 0.00 0.00 176.54 180.53 3ie0 h ARG 256 N 0.00 0.00 0.00 4.80 3.08 -0.24 0.60 114.38 122.63 3ie0 h ARG 256 Ca -0.36 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 3ie0 h ARG 256 Cb 2.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.05 3ie0 h ARG 256 CO 0.12 0.05 -0.00 0.28 -1.07 0.00 0.00 179.97 179.36 3ie0 h VAL 257 N 0.00 1.50 -0.07 2.04 2.07 -1.35 -2.80 116.25 117.65 3ie0 h VAL 257 Ca -0.00 -2.11 0.02 0.00 0.82 0.00 0.00 66.70 65.43 3ie0 h VAL 257 Cb 0.17 2.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.77 3ie0 h VAL 257 CO 0.01 0.51 0.09 0.25 0.02 0.00 0.00 177.57 178.44 3ie0 h LEU 258 N -0.99 0.00 -0.10 2.57 5.85 -0.82 0.37 115.31 122.19 3ie0 h LEU 258 Ca -0.00 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.50 3ie0 h LEU 258 Cb 0.83 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3ie0 h LEU 258 CO 0.00 0.00 -0.99 0.28 -0.34 0.00 0.00 178.44 177.39 3ie0 h SER 259 N 0.00 0.16 0.37 1.25 0.02 -0.94 -3.28 113.55 111.12 3ie0 h SER 259 Ca 0.03 -0.15 -0.20 0.00 -0.84 0.00 0.00 61.79 60.63 3ie0 h SER 259 Cb 0.20 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 3ie0 h SER 259 CO -0.00 1.05 -0.86 0.25 -1.14 0.00 0.00 176.83 176.13 3ie0 h LEU 260 N 0.04 0.45 -1.00 5.07 5.85 -0.06 -3.32 115.31 122.34 3ie0 h LEU 260 Ca -0.04 -0.34 0.33 0.00 0.84 0.00 0.00 57.88 58.66 3ie0 h LEU 260 Cb 1.70 -0.14 -0.15 0.00 0.37 0.00 0.00 40.66 42.44 3ie0 h LEU 260 CO 0.14 1.12 0.55 1.88 -0.34 0.00 0.00 178.44 181.79 3ie0 h TYR 261 N 0.21 0.89 -0.38 1.25 0.99 -1.10 0.29 116.97 119.11 3ie0 h TYR 261 Ca -0.06 0.04 0.04 0.00 2.00 0.00 0.00 58.73 60.75 3ie0 h TYR 261 Cb 1.47 -0.23 -0.02 0.00 1.00 0.00 0.00 36.73 38.95 3ie0 h TYR 261 CO 0.05 -0.21 0.26 -1.35 -0.00 0.00 0.00 178.16 176.91 3ie0 h PRO 262 N 0.29 0.35 0.00 4.88 0.11 -1.76 -2.27 132.00 133.60 3ie0 h PRO 262 Ca 0.74 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.83 3ie0 h PRO 262 Cb 1.70 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.73 3ie0 h PRO 262 CO -0.63 0.23 -0.00 0.00 -0.21 0.00 0.00 178.00 177.39 3ie0 h ARG 263 N 0.36 -0.00 -0.38 1.05 3.08 -0.67 -3.13 114.38 114.69 3ie0 h ARG 263 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3ie0 h ARG 263 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3ie0 h ARG 263 CO -0.04 0.45 0.00 1.28 -1.07 0.00 0.00 179.97 180.59 3ie0 n LEU 264 N -4.88 0.38 -0.37 3.04 4.32 -0.88 -4.35 117.00 114.27 3ie0 n LEU 264 Ca -0.08 -0.19 0.30 0.00 -0.02 0.00 0.00 56.01 56.02 3ie0 n LEU 264 Cb 0.23 -0.19 0.60 0.00 -1.62 0.00 0.00 43.42 42.44 3ie0 n LEU 264 CO 0.33 0.09 1.25 1.62 -1.22 0.00 0.00 177.39 179.46 3ie0 h VAL 265 N 0.00 0.36 0.00 4.08 3.04 -1.44 0.14 116.25 122.43 3ie0 h VAL 265 Ca 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 3ie0 h VAL 265 Cb 0.19 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 29.58 3ie0 h VAL 265 CO 0.00 0.04 0.00 0.08 -1.01 0.00 0.00 177.57 176.68 3ie0 h ARG 266 N 0.23 0.00 -0.12 4.17 0.11 -1.90 -3.17 114.38 113.69 3ie0 h ARG 266 Ca 0.67 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.75 3ie0 h ARG 266 Cb 2.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.10 3ie0 h ARG 266 CO -0.29 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.44 3ie0 n TYR 267 N -2.52 0.16 -3.22 4.08 4.01 0.04 -4.91 117.16 114.80 3ie0 n TYR 267 Ca 0.03 -0.08 -0.21 0.00 -0.16 0.00 0.00 57.90 57.48 3ie0 n TYR 267 Cb 0.35 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.42 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 -1.84 1.44 0.89 -0.72 0.08 -1.20 -4.37 117.98 112.25 3ie0 s PHE 268 Ca 0.29 -0.75 -0.12 0.00 0.12 0.00 0.00 56.93 56.47 3ie0 s PHE 268 Cb 0.15 -2.14 0.13 0.00 -0.57 0.00 0.00 43.02 40.58 3ie0 s PHE 268 CO 0.23 -1.02 1.09 -1.54 -0.10 0.00 0.00 175.22 173.89 3ie0 s SER 269 N -4.59 3.52 0.28 1.36 1.04 0.11 -4.55 113.70 110.88 3ie0 s SER 269 Ca 0.56 1.47 -0.03 0.00 0.48 0.00 0.00 55.95 58.43 3ie0 s SER 269 Cb -0.05 -2.15 0.39 0.00 0.10 0.00 0.00 66.02 64.31 3ie0 s SER 269 CO 0.35 -2.61 1.95 -0.33 0.98 0.00 0.00 173.24 173.58 3ie0 h GLU 270 N -1.53 1.17 0.47 4.02 4.39 -1.89 -0.65 114.58 120.55 3ie0 h GLU 270 Ca -0.49 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.12 3ie0 h GLU 270 Cb 1.28 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 3ie0 h GLU 270 CO 0.55 0.77 -0.34 1.49 -1.16 0.00 0.00 179.01 180.32 3ie0 h GLU 271 N 1.20 -0.77 -0.70 2.33 4.81 -1.91 0.24 114.58 119.79 3ie0 h GLU 271 Ca 0.34 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.65 3ie0 h GLU 271 Cb -0.10 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 3ie0 h GLU 271 CO -0.08 -0.51 0.46 0.28 -0.73 0.00 0.00 179.01 178.43 3ie0 h VAL 272 N -0.80 1.12 -0.21 0.32 2.07 -1.75 -2.19 116.25 114.82 3ie0 h VAL 272 Ca -0.05 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 3ie0 h VAL 272 Cb 0.67 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3ie0 h VAL 272 CO 0.01 0.16 -0.32 1.56 0.02 0.00 0.00 177.57 179.00 3ie0 h GLN 273 N 0.87 0.42 -0.11 1.57 4.20 -0.56 -2.59 115.11 118.91 3ie0 h GLN 273 Ca 0.27 -0.18 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 3ie0 h GLN 273 Cb 0.02 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3ie0 h GLN 273 CO -0.07 0.70 -0.30 0.00 -0.67 0.00 0.00 178.83 178.48 3ie0 h ALA 274 N 1.30 1.28 0.34 3.87 0.00 0.10 -2.21 119.26 123.94 3ie0 h ALA 274 Ca 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3ie0 h ALA 274 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3ie0 h ALA 274 CO 0.06 0.49 -0.16 0.45 0.00 0.00 0.00 179.25 180.09 3ie0 h HIS 275 N 0.19 -0.42 -1.02 0.00 3.86 -1.21 -2.81 115.15 113.74 3ie0 h HIS 275 Ca 0.03 -0.01 0.25 0.00 -1.16 0.00 0.00 60.37 59.47 3ie0 h HIS 275 Cb 0.64 0.14 -0.10 0.00 1.06 0.00 0.00 27.41 29.15 3ie0 h HIS 275 CO 0.01 -0.08 0.64 0.74 0.86 0.00 0.00 177.93 180.10 3ie0 h PHE 276 N -0.84 0.75 -0.21 2.45 0.04 -1.34 0.37 116.94 118.15 3ie0 h PHE 276 Ca -0.05 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 3ie0 h PHE 276 Cb 0.53 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 3ie0 h PHE 276 CO 0.03 0.09 -0.11 1.25 -0.60 0.00 0.00 178.31 178.97 3ie0 h LEU 277 N 0.47 0.32 0.00 1.54 5.85 -1.29 -2.19 115.31 120.01 3ie0 h LEU 277 Ca 0.59 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.24 3ie0 h LEU 277 Cb 1.35 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3ie0 h LEU 277 CO -0.32 0.46 0.00 0.00 -0.34 0.00 0.00 178.44 178.24 3ie0 n GLN 278 N -4.26 0.71 -0.01 1.25 6.02 0.13 -4.85 117.38 116.37 3ie0 n GLN 278 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3ie0 n GLN 278 Cb 0.28 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.10 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 0.39 0.73 4.00 1.08 0.00 -0.82 -5.06 105.19 105.50 3ie0 n GLY 279 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 3ie0 n GLY 279 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ie0 s LYS 280 N -0.76 2.66 -0.48 1.61 -2.85 -1.24 -5.04 119.74 113.66 3ie0 s LYS 280 Ca 0.00 -1.08 0.03 0.00 -1.00 0.00 0.00 55.97 53.92 3ie0 s LYS 280 Cb 0.00 -2.64 0.14 0.00 -2.06 0.00 0.00 37.83 33.27 3ie0 s LYS 280 CO 0.00 -0.50 0.27 1.21 0.10 0.00 0.00 175.35 176.43 3ie0 s ASN 281 N -4.40 3.84 0.00 0.03 3.84 -1.26 -3.84 114.94 113.14 3ie0 s ASN 281 Ca 0.57 -2.83 0.00 0.00 0.21 0.00 0.00 52.86 50.80 3ie0 s ASN 281 Cb -0.10 -1.22 0.00 0.00 -0.55 0.00 0.00 41.25 39.38 3ie0 s ASN 281 CO 0.36 -0.24 0.00 -0.81 -2.79 0.00 0.00 177.10 173.62 3ie0 n PRO 282 N 3.29 0.00 -0.96 0.43 -0.04 -1.26 -2.37 135.00 134.08 3ie0 n PRO 282 Ca 0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 3ie0 n PRO 282 Cb 0.34 -0.95 0.16 0.00 -0.04 0.00 0.00 33.50 33.01 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 0.08 0.73 -3.04 0.54 3.72 -1.26 -4.23 117.46 114.00 3ie0 n PHE 283 Ca 0.00 -1.69 -0.16 0.00 -0.05 0.00 0.00 57.45 55.55 3ie0 n PHE 283 Cb 0.00 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.26 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 -1.02 0.92 -1.67 -1.08 5.12 -1.00 -4.95 116.66 112.99 3ie0 n ARG 284 Ca 0.26 -2.84 -0.44 0.00 -1.93 0.00 0.00 57.85 52.89 3ie0 n ARG 284 Cb 0.77 -1.43 -0.02 0.00 -1.16 0.00 0.00 32.46 30.61 3ie0 n ARG 284 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3ie0 n PRO 285 N 0.60 2.05 -1.62 5.56 -0.04 -1.25 -4.78 135.00 135.52 3ie0 n PRO 285 Ca 0.18 0.73 -0.63 0.00 -0.04 0.00 0.00 63.50 63.74 3ie0 n PRO 285 Cb 0.65 -2.38 -0.09 0.00 -0.04 0.00 0.00 33.50 31.64 3ie0 n PRO 285 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ie0 n ALA 286 N 1.70 -2.50 -0.04 0.55 0.00 -1.26 -1.40 120.51 117.56 3ie0 n ALA 286 Ca 0.11 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.10 3ie0 n ALA 286 Cb 0.32 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3ie0 n ALA 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie0 n GLY 287 N 2.71 0.43 3.66 0.00 0.00 -1.26 -4.77 105.19 105.97 3ie0 n GLY 287 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 3ie0 n GLY 287 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ie0 n LEU 288 N 0.00 4.28 -3.56 0.99 7.94 -0.50 -2.05 117.00 124.11 3ie0 n LEU 288 Ca 0.00 0.66 -0.01 0.00 -1.11 0.00 0.00 56.01 55.55 3ie0 n LEU 288 Cb 0.00 -1.47 -0.04 0.00 0.53 0.00 0.00 43.42 42.43 3ie0 n LEU 288 CO 0.00 -1.74 0.43 -0.70 -1.11 0.00 0.00 177.39 174.28 3ie0 s GLU 289 N -3.65 0.47 -0.22 1.96 2.56 -0.19 -4.84 118.70 114.79 3ie0 s GLU 289 Ca 0.75 1.10 -0.18 0.00 0.00 0.00 0.00 54.97 56.64 3ie0 s GLU 289 Cb -0.33 0.58 -0.03 0.00 2.00 0.00 0.00 34.13 36.35 3ie0 s GLU 289 CO 0.49 -0.15 0.51 0.08 -0.56 0.00 0.00 175.26 175.63 3ie0 s VAL 290 N 2.49 5.10 -0.28 3.70 1.01 -1.26 -0.06 120.40 131.10 3ie0 s VAL 290 Ca -0.05 0.91 -0.04 0.00 0.00 0.00 0.00 61.98 62.80 3ie0 s VAL 290 Cb -0.08 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.49 3ie0 s VAL 290 CO -0.18 0.15 0.01 -0.69 0.00 0.00 0.00 175.10 174.39 3ie0 s VAL 291 N 1.84 3.39 -0.25 2.92 1.01 -0.93 -4.92 120.40 123.46 3ie0 s VAL 291 Ca 0.23 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 3ie0 s VAL 291 Cb -0.15 -2.76 -0.16 0.00 0.00 0.00 0.00 36.38 33.31 3ie0 s VAL 291 CO 0.09 0.11 -0.19 -1.84 0.00 0.00 0.00 175.10 173.28 3ie0 n GLU 292 N 4.76 0.62 -2.01 2.72 0.00 -1.26 -3.87 120.64 121.59 3ie0 n GLU 292 Ca -0.15 0.26 -0.41 0.00 0.00 0.00 0.00 57.16 56.86 3ie0 n GLU 292 Cb 0.47 -1.55 -0.02 0.00 0.00 0.00 0.00 31.44 30.34 3ie0 n GLU 292 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3ie0 s HIS 293 N -2.50 2.99 0.25 -1.84 3.76 -1.26 -4.68 115.29 112.01 3ie0 s HIS 293 Ca -0.35 1.09 -0.04 0.00 -0.15 0.00 0.00 55.06 55.61 3ie0 s HIS 293 Cb 0.11 -3.81 0.39 0.00 1.11 0.00 0.00 32.58 30.38 3ie0 s HIS 293 CO 0.56 -2.57 1.83 1.15 -0.85 0.00 0.00 174.74 174.85 3ie0 h THR 294 N 3.43 0.95 -0.53 1.30 2.02 -2.01 -2.30 112.91 115.77 3ie0 h THR 294 Ca -0.47 -0.30 0.07 0.00 0.77 0.00 0.00 66.41 66.48 3ie0 h THR 294 Cb 1.22 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3ie0 h THR 294 CO 0.75 0.16 0.36 -0.33 0.37 0.00 0.00 175.52 176.83 3ie0 h GLU 295 N 0.87 0.44 0.00 6.66 3.07 -2.01 -0.81 114.58 122.79 3ie0 h GLU 295 Ca 0.40 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.23 3ie0 h GLU 295 Cb 0.32 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3ie0 h GLU 295 CO -0.23 0.29 -0.01 0.00 -1.40 0.00 0.00 179.01 177.66 3ie0 h ALA 296 N 1.72 0.99 0.02 3.43 0.00 -1.81 -3.20 119.26 120.41 3ie0 h ALA 296 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ie0 h ALA 296 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ie0 h ALA 296 CO -0.06 0.02 -0.01 1.03 0.00 0.00 0.00 179.25 180.22 3ie0 h SER 297 N 0.00 -0.02 -0.86 0.00 0.87 -1.08 -3.21 113.55 109.25 3ie0 h SER 297 Ca -0.00 -0.74 0.20 0.00 -1.23 0.00 0.00 61.79 60.02 3ie0 h SER 297 Cb 0.99 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.89 3ie0 h SER 297 CO 0.00 0.81 0.58 0.11 -0.53 0.00 0.00 176.83 177.79 3ie0 h LYS 298 N -0.93 0.33 -0.66 2.24 1.79 -1.52 -0.38 116.57 117.44 3ie0 h LYS 298 Ca -0.00 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 3ie0 h LYS 298 Cb 0.76 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.31 3ie0 h LYS 298 CO 0.00 0.22 0.13 0.00 -1.08 0.00 0.00 179.45 178.72 3ie0 h ALA 299 N 1.62 0.99 0.00 3.86 0.00 -1.61 -2.47 119.26 121.65 3ie0 h ALA 299 Ca 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ie0 h ALA 299 Cb 1.18 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3ie0 h ALA 299 CO -0.14 0.65 0.22 -0.07 0.00 0.00 0.00 179.25 179.91 3ie0 h LEU 300 N 1.00 0.00 0.00 0.00 3.38 -1.06 0.70 115.31 119.33 3ie0 h LEU 300 Ca 0.21 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 3ie0 h LEU 300 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3ie0 h LEU 300 CO 0.01 0.00 -0.85 0.78 0.09 0.00 0.00 178.44 178.47 3ie0 h ASN 301 N 0.00 0.00 0.00 -0.43 2.35 -1.51 -3.36 115.58 112.63 3ie0 h ASN 301 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3ie0 h ASN 301 Cb 0.45 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 3ie0 h ASN 301 CO 0.00 0.71 -0.08 0.03 -1.65 0.00 0.00 177.43 176.44 3ie0 h ARG 302 N 0.00 0.00 -6.97 0.81 3.08 0.30 -3.46 114.38 108.14 3ie0 h ARG 302 Ca -0.04 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.46 3ie0 h ARG 302 Cb 1.58 0.00 0.13 0.00 0.08 0.00 0.00 29.97 31.75 3ie0 h ARG 302 CO 0.09 0.53 0.65 0.00 -1.07 0.00 0.00 179.97 180.17 3ie0 n ALA 303 N -2.76 1.83 -1.52 0.04 0.00 -0.71 -5.01 120.51 112.38 3ie0 n ALA 303 Ca -0.07 0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 3ie0 n ALA 303 Cb 0.28 -2.37 0.14 0.00 0.00 0.00 0.00 19.45 17.50 3ie0 n ALA 303 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ie0 n PRO 304 N -0.32 -1.12 -0.07 0.00 -0.04 -1.26 -4.91 135.00 127.28 3ie0 n PRO 304 Ca 0.06 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 3ie0 n PRO 304 Cb 0.42 -0.94 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 3ie0 n PRO 304 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ie0 n GLY 305 N -1.01 -0.49 3.61 0.55 0.00 -1.11 -4.77 105.19 101.97 3ie0 n GLY 305 Ca 0.11 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.13 4.04 0.27 1.61 0.04 -1.17 -4.91 135.00 133.75 3ie0 s PRO 306 Ca 0.00 0.12 0.02 0.00 0.04 0.00 0.00 61.00 61.18 3ie0 s PRO 306 Cb 0.00 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 3ie0 s PRO 306 CO 0.00 -0.28 0.13 0.00 0.04 0.00 0.00 177.00 176.89 3ie0 s MET 307 N 2.09 1.45 -0.13 4.56 0.23 -1.24 -4.38 119.30 121.87 3ie0 s MET 307 Ca 0.17 -1.80 -0.00 0.00 -1.03 0.00 0.00 55.69 53.03 3ie0 s MET 307 Cb -0.16 -0.06 0.02 0.00 -1.53 0.00 0.00 34.83 33.11 3ie0 s MET 307 CO 0.10 -0.39 -0.11 0.08 -2.03 0.00 0.00 175.02 172.67 3ie0 s VAL 308 N -3.78 1.31 -0.03 5.16 1.01 -1.24 -1.76 120.40 121.06 3ie0 s VAL 308 Ca 0.37 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.95 3ie0 s VAL 308 Cb 0.06 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 3ie0 s VAL 308 CO 0.15 0.41 -0.23 -0.69 0.00 0.00 0.00 175.10 174.75 3ie0 s VAL 309 N 1.59 1.84 -0.07 2.92 1.01 -0.82 -1.77 120.40 125.11 3ie0 s VAL 309 Ca 0.05 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.10 3ie0 s VAL 309 Cb -0.13 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 3ie0 s VAL 309 CO -0.09 0.52 -0.22 -0.76 0.00 0.00 0.00 175.10 174.55 3ie0 s LEU 310 N -0.37 2.01 0.10 3.92 1.02 -1.16 -1.57 118.68 122.61 3ie0 s LEU 310 Ca 0.04 -0.48 -0.18 0.00 0.02 0.00 0.00 54.13 53.52 3ie0 s LEU 310 Cb -0.11 -1.26 0.04 0.00 0.02 0.00 0.00 46.19 44.88 3ie0 s LEU 310 CO 0.01 0.17 0.44 0.00 0.02 0.00 0.00 176.35 176.99 3ie0 s ALA 311 N 0.16 -1.08 0.37 4.21 0.00 -1.21 -1.18 121.76 123.04 3ie0 s ALA 311 Ca -0.11 0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.12 3ie0 s ALA 311 Cb -0.15 0.58 -0.07 0.00 0.00 0.00 0.00 23.12 23.47 3ie0 s ALA 311 CO 0.06 -0.59 -0.00 0.20 0.00 0.00 0.00 175.76 175.42 3ie0 s GLY 312 N -2.46 2.32 0.66 0.00 0.00 -1.25 -1.66 107.32 104.93 3ie0 s GLY 312 Ca -0.01 -2.19 -0.17 0.00 0.00 0.00 0.00 44.72 42.35 3ie0 s GLY 312 CO -0.08 -2.01 0.71 1.44 0.00 0.00 0.00 173.10 173.16 3ie0 n SER 313 N -0.86 -0.39 0.01 1.64 7.64 -0.91 -2.95 113.62 117.80 3ie0 n SER 313 Ca -0.05 0.69 0.14 0.00 1.01 0.00 0.00 58.87 60.66 3ie0 n SER 313 Cb 0.66 -1.28 0.54 0.00 -1.01 0.00 0.00 64.21 63.12 3ie0 n SER 313 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ie0 n GLY 314 N 1.50 -1.46 0.63 0.23 0.00 -1.25 -3.05 105.19 101.79 3ie0 n GLY 314 Ca 0.12 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.54 2.79 -0.90 1.61 2.81 -1.26 -4.62 117.12 116.01 3ie0 n MET 315 Ca 0.07 -2.35 0.00 0.00 -1.81 0.00 0.00 57.70 53.61 3ie0 n MET 315 Cb 0.34 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 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 -0.13 0.94 -0.97 4.03 4.77 -1.17 -4.63 117.00 119.84 3ie0 n LEU 316 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3ie0 n LEU 316 Cb 0.61 -2.18 0.00 0.00 -2.33 0.00 0.00 43.42 39.52 3ie0 n LEU 316 CO 0.10 -0.84 0.18 0.00 -1.33 0.00 0.00 177.39 175.49 3ie0 n ALA 317 N 1.00 1.85 0.00 -1.18 0.00 -1.26 -4.84 120.51 116.07 3ie0 n ALA 317 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ie0 n ALA 317 Cb 0.37 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3ie0 n ALA 317 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie0 n GLY 318 N 0.78 0.80 0.00 0.00 0.00 -1.26 -4.97 105.19 100.55 3ie0 n GLY 318 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.81 -0.98 1.00 -0.02 0.00 -1.26 -2.14 105.19 100.98 3ie0 n GLY 319 Ca 0.00 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 44.12 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 0.00 2.43 0.01 1.61 1.74 -1.15 -3.67 116.66 117.62 3ie0 n ARG 320 Ca 0.00 -1.79 0.11 0.00 -0.77 0.00 0.00 57.85 55.40 3ie0 n ARG 320 Cb 0.00 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 3ie0 n ARG 320 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3ie0 n ILE 321 N 0.78 0.05 -0.02 0.55 0.13 -1.22 -4.11 119.36 115.53 3ie0 n ILE 321 Ca 0.16 -0.13 -0.16 0.00 -1.10 0.00 0.00 62.75 61.53 3ie0 n ILE 321 Cb 0.51 0.55 -0.10 0.00 -0.84 0.00 0.00 39.64 39.75 3ie0 n ILE 321 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 3ie0 h LEU 322 N 0.00 0.38 -2.08 9.51 3.38 -1.84 -3.19 115.31 121.47 3ie0 h LEU 322 Ca 0.00 -0.72 -0.02 0.00 0.09 0.00 0.00 57.88 57.23 3ie0 h LEU 322 Cb 0.62 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3ie0 h LEU 322 CO 0.00 1.04 -0.08 0.45 0.09 0.00 0.00 178.44 179.95 3ie0 h HIS 323 N -0.25 0.00 0.00 1.13 3.86 -1.78 -0.98 115.15 117.12 3ie0 h HIS 323 Ca -0.04 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.09 3ie0 h HIS 323 Cb 1.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.53 3ie0 h HIS 323 CO 0.15 0.08 -0.39 0.45 0.86 0.00 0.00 177.93 179.07 3ie0 h HIS 324 N 0.00 0.00 0.00 2.45 3.86 -1.70 -3.21 115.15 116.54 3ie0 h HIS 324 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ie0 h HIS 324 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3ie0 h HIS 324 CO 0.00 0.39 -1.40 1.28 0.86 0.00 0.00 177.93 179.07 3ie0 n LEU 325 N -3.28 0.48 0.19 2.43 4.32 -0.73 -3.69 117.00 116.73 3ie0 n LEU 325 Ca 0.02 -0.10 0.12 0.00 -0.02 0.00 0.00 56.01 56.03 3ie0 n LEU 325 Cb 0.64 -0.03 0.26 0.00 -1.62 0.00 0.00 43.42 42.66 3ie0 n LEU 325 CO 0.38 0.06 0.84 0.50 -1.22 0.00 0.00 177.39 177.95 3ie0 h LYS 326 N 0.00 0.00 -0.62 3.23 3.64 -1.23 -3.05 116.57 118.55 3ie0 h LYS 326 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 3ie0 h LYS 326 Cb 0.80 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.21 3ie0 h LYS 326 CO 0.00 0.00 -1.03 0.72 -2.27 0.00 0.00 179.45 176.87 3ie0 n HIS 327 N -2.86 1.73 0.00 1.91 8.25 -1.22 -4.85 115.22 118.19 3ie0 n HIS 327 Ca 0.04 -2.27 0.00 0.00 -0.26 0.00 0.00 57.72 55.23 3ie0 n HIS 327 Cb 0.49 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 -0.57 0.23 0.33 -1.41 0.00 -1.24 -4.91 105.19 97.62 3ie0 n GLY 328 Ca 0.18 -0.12 0.20 0.00 0.00 0.00 0.00 46.02 46.28 3ie0 n GLY 328 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ie0 h LEU 329 N 0.00 0.00 -0.02 0.99 4.07 -1.75 -2.30 115.31 116.30 3ie0 h LEU 329 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3ie0 h LEU 329 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3ie0 h LEU 329 CO 0.00 0.00 -0.03 0.77 -1.08 0.00 0.00 178.44 178.10 3ie0 h SER 330 N 0.00 0.06 -2.73 -0.43 4.64 -1.68 -0.32 113.55 113.09 3ie0 h SER 330 Ca 0.00 -0.57 -0.54 0.00 -0.47 0.00 0.00 61.79 60.21 3ie0 h SER 330 Cb 0.21 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3ie0 h SER 330 CO 0.00 0.62 0.98 -0.62 -0.87 0.00 0.00 176.83 176.94 3ie0 s ASP 331 N -5.85 6.72 0.00 4.97 3.68 -0.87 -3.93 116.67 121.39 3ie0 s ASP 331 Ca -0.16 2.24 0.20 0.00 2.13 0.00 0.00 52.55 56.96 3ie0 s ASP 331 Cb 0.01 -2.55 1.18 0.00 -1.45 0.00 0.00 42.92 40.11 3ie0 s ASP 331 CO 0.69 -0.85 1.59 -0.81 0.13 0.00 0.00 175.17 175.92 3ie0 n PRO 332 N 6.21 0.59 -0.56 4.34 -0.04 -1.25 -3.13 135.00 141.16 3ie0 n PRO 332 Ca 0.16 0.01 0.06 0.00 -0.04 0.00 0.00 63.50 63.69 3ie0 n PRO 332 Cb 0.42 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.67 3ie0 n PRO 332 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ie0 n ARG 333 N -1.03 3.45 -4.33 0.54 1.74 -1.26 -4.61 116.66 111.16 3ie0 n ARG 333 Ca 0.14 -2.26 -0.26 0.00 -0.77 0.00 0.00 57.85 54.70 3ie0 n ARG 333 Cb 0.08 -1.89 -0.09 0.00 -1.02 0.00 0.00 32.46 29.54 3ie0 n ARG 333 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3ie0 s ASN 334 N -0.71 4.11 -0.21 0.55 0.01 -1.18 -3.58 114.94 113.93 3ie0 s ASN 334 Ca 0.40 -0.69 -0.00 0.00 -0.71 0.00 0.00 52.86 51.86 3ie0 s ASN 334 Cb 0.28 -0.63 0.06 0.00 0.41 0.00 0.00 41.25 41.37 3ie0 s ASN 334 CO 0.16 0.08 -0.03 0.00 -1.51 0.00 0.00 177.10 175.80 3ie0 s ALA 335 N -1.92 1.59 -0.46 0.60 0.00 -1.09 -1.93 121.76 118.55 3ie0 s ALA 335 Ca 0.26 -1.05 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 3ie0 s ALA 335 Cb -0.08 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.78 3ie0 s ALA 335 CO 0.15 -1.08 0.82 -1.17 0.00 0.00 0.00 175.76 174.48 3ie0 s LEU 336 N 1.57 4.22 -0.21 0.00 0.20 0.20 -2.18 118.68 122.48 3ie0 s LEU 336 Ca -0.03 -0.11 -0.09 0.00 0.69 0.00 0.00 54.13 54.59 3ie0 s LEU 336 Cb -0.17 -2.98 -0.05 0.00 -0.43 0.00 0.00 46.19 42.56 3ie0 s LEU 336 CO -0.07 -0.96 0.11 -0.69 -0.29 0.00 0.00 176.35 174.45 3ie0 s VAL 337 N 3.40 5.13 -0.26 1.68 1.01 0.86 -0.32 120.40 131.91 3ie0 s VAL 337 Ca 0.31 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.30 3ie0 s VAL 337 Cb -0.12 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3ie0 s VAL 337 CO 0.23 0.41 0.11 -0.36 0.00 0.00 0.00 175.10 175.49 3ie0 s PHE 338 N 0.65 3.13 -0.15 5.22 0.08 0.16 -3.58 117.98 123.50 3ie0 s PHE 338 Ca 0.06 -0.24 0.04 0.00 0.12 0.00 0.00 56.93 56.92 3ie0 s PHE 338 Cb -0.12 -2.29 -0.12 0.00 -0.57 0.00 0.00 43.02 39.92 3ie0 s PHE 338 CO 0.01 -0.29 -0.08 1.33 -0.10 0.00 0.00 175.22 176.09 3ie0 n VAL 339 N 4.96 0.89 -3.14 -0.44 0.24 -1.26 -0.50 118.33 119.08 3ie0 n VAL 339 Ca -0.15 -0.40 -0.25 0.00 -2.04 0.00 0.00 64.34 61.50 3ie0 n VAL 339 Cb 0.52 -0.94 -0.01 0.00 -1.47 0.00 0.00 33.84 31.94 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 -5.21 1.40 0.31 7.63 0.00 -1.26 -3.81 107.32 106.37 3ie0 s GLY 340 Ca -0.16 -0.80 -0.28 0.00 0.00 0.00 0.00 44.72 43.47 3ie0 s GLY 340 CO 0.41 -0.70 1.10 -0.47 0.00 0.00 0.00 173.10 173.44 3ie0 s TYR 341 N -2.46 3.48 -0.11 1.90 6.14 -1.26 -5.03 117.35 120.02 3ie0 s TYR 341 Ca 0.43 1.67 0.01 0.00 0.64 0.00 0.00 57.07 59.82 3ie0 s TYR 341 Cb -0.10 -3.28 -0.02 0.00 0.42 0.00 0.00 41.96 38.98 3ie0 s TYR 341 CO 0.39 -0.65 -0.14 -0.65 0.64 0.00 0.00 175.55 175.13 3ie0 s GLN 342 N -1.66 3.17 -0.19 4.97 -1.52 -1.26 -4.86 119.66 118.30 3ie0 s GLN 342 Ca 0.47 -0.70 -0.29 0.00 -1.95 0.00 0.00 55.36 52.89 3ie0 s GLN 342 Cb -0.31 -2.55 -0.02 0.00 -0.22 0.00 0.00 33.01 29.91 3ie0 s GLN 342 CO 0.39 0.31 1.41 -1.25 -0.25 0.00 0.00 175.29 175.90 3ie0 s PRO 343 N 0.10 4.06 0.15 2.91 0.04 -1.26 -4.85 135.00 136.15 3ie0 s PRO 343 Ca -0.06 1.65 -0.33 0.00 0.04 0.00 0.00 61.00 62.30 3ie0 s PRO 343 Cb -0.15 -3.88 -0.17 0.00 0.04 0.00 0.00 34.50 30.34 3ie0 s PRO 343 CO 0.05 -0.95 0.89 0.00 0.04 0.00 0.00 177.00 177.03 3ie0 n GLN 344 N 7.08 0.45 -0.29 4.56 0.00 -1.26 -1.18 117.38 126.73 3ie0 n GLN 344 Ca 0.16 0.16 0.00 0.00 0.00 0.00 0.00 57.00 57.32 3ie0 n GLN 344 Cb 0.45 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 29.22 3ie0 n GLN 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ie0 n GLY 345 N 1.81 0.82 3.96 2.61 0.00 -1.26 -4.99 105.19 108.14 3ie0 n GLY 345 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.55 1.68 0.54 -0.02 0.00 -0.33 -4.86 107.32 102.78 3ie0 s GLY 346 Ca 0.00 -1.19 0.38 0.00 0.00 0.00 0.00 44.72 43.91 3ie0 s GLY 346 CO 0.00 -0.98 1.77 -2.00 0.00 0.00 0.00 173.10 171.88 3ie0 h LEU 347 N 0.30 0.02 0.01 0.66 5.85 -1.87 0.31 115.31 120.60 3ie0 h LEU 347 Ca -0.44 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 3ie0 h LEU 347 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3ie0 h LEU 347 CO 0.55 -0.00 -0.01 1.23 -0.34 0.00 0.00 178.44 179.87 3ie0 h GLY 348 N 0.02 -0.02 2.00 3.75 0.00 -1.89 -0.43 103.07 106.50 3ie0 h GLY 348 Ca 0.63 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.96 3ie0 h GLY 348 CO -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 176.54 176.49 3ie0 h ALA 349 N 0.40 1.06 0.12 3.60 0.00 -0.75 -2.08 119.26 121.60 3ie0 h ALA 349 Ca -0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 3ie0 h ALA 349 Cb 0.55 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.36 3ie0 h ALA 349 CO 0.00 0.02 -0.91 1.49 0.00 0.00 0.00 179.25 179.85 3ie0 h GLU 350 N 0.00 0.40 0.00 0.00 4.81 -0.55 -3.00 114.58 116.24 3ie0 h GLU 350 Ca -0.00 -0.59 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 3ie0 h GLU 350 Cb 0.21 0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3ie0 h GLU 350 CO 0.00 1.26 0.00 -0.89 -0.73 0.00 0.00 179.01 178.65 3ie0 n ILE 351 N -4.05 0.86 0.10 2.32 5.41 -0.19 -1.98 119.36 121.82 3ie0 n ILE 351 Ca -0.13 0.21 0.11 0.00 1.00 0.00 0.00 62.75 63.93 3ie0 n ILE 351 Cb 0.85 -1.05 -0.01 0.00 -0.71 0.00 0.00 39.64 38.71 3ie0 n ILE 351 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3ie0 n ILE 352 N -1.91 0.65 0.15 1.39 5.41 -0.84 -3.75 119.36 120.46 3ie0 n ILE 352 Ca 0.03 -0.56 0.00 0.00 1.00 0.00 0.00 62.75 63.23 3ie0 n ILE 352 Cb 0.22 -0.36 0.21 0.00 -0.71 0.00 0.00 39.64 39.00 3ie0 n ILE 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ie0 h ALA 353 N 1.96 1.00 -2.55 -1.39 0.00 -1.25 -3.48 119.26 113.54 3ie0 h ALA 353 Ca -0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 3ie0 h ALA 353 Cb 1.04 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.77 3ie0 h ALA 353 CO 0.00 0.69 -0.11 -2.13 0.00 0.00 0.00 179.25 177.70 3ie0 n ARG 354 N -3.75 -0.95 -1.35 0.00 3.00 -1.22 -5.05 116.66 107.33 3ie0 n ARG 354 Ca -0.01 0.12 -0.32 0.00 -0.00 0.00 0.00 57.85 57.65 3ie0 n ARG 354 Cb 0.58 -2.98 0.09 0.00 0.00 0.00 0.00 32.46 30.15 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 -4.18 2.29 0.50 -0.14 0.04 -1.26 -4.89 135.00 127.35 3ie0 s PRO 355 Ca 0.00 1.30 0.17 0.00 0.04 0.00 0.00 61.00 62.51 3ie0 s PRO 355 Cb -0.00 -1.89 1.24 0.00 0.04 0.00 0.00 34.50 33.89 3ie0 s PRO 355 CO 0.11 -1.64 2.09 -1.00 0.04 0.00 0.00 177.00 176.60 3ie0 h PRO 356 N -0.83 0.09 -4.82 0.56 0.13 -1.96 -3.43 132.00 121.73 3ie0 h PRO 356 Ca -0.45 -0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.28 3ie0 h PRO 356 Cb 1.24 -0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 3ie0 h PRO 356 CO 0.51 0.06 -0.54 0.00 -0.23 0.00 0.00 178.00 177.80 3ie0 s ALA 357 N -5.12 1.72 -0.09 -0.56 0.00 -1.26 -3.24 121.76 113.20 3ie0 s ALA 357 Ca -0.06 -1.91 -0.08 0.00 0.00 0.00 0.00 51.96 49.92 3ie0 s ALA 357 Cb 0.18 1.39 0.03 0.00 0.00 0.00 0.00 23.12 24.72 3ie0 s ALA 357 CO 0.70 -0.61 0.24 0.08 0.00 0.00 0.00 175.76 176.16 3ie0 s VAL 358 N -3.66 -0.01 -0.31 0.00 1.01 -0.59 -4.85 120.40 111.99 3ie0 s VAL 358 Ca 0.39 0.02 -0.17 0.00 0.00 0.00 0.00 61.98 62.22 3ie0 s VAL 358 Cb 0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 3ie0 s VAL 358 CO 0.22 0.01 0.46 -0.60 0.00 0.00 0.00 175.10 175.18 3ie0 s ARG 359 N 0.28 3.80 -0.05 2.72 3.52 -1.26 -1.53 118.95 126.43 3ie0 s ARG 359 Ca -0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 55.73 55.52 3ie0 s ARG 359 Cb -0.03 -3.74 0.03 0.00 -1.56 0.00 0.00 34.95 29.65 3ie0 s ARG 359 CO -0.01 -0.48 0.03 0.42 -0.81 0.00 0.00 175.30 174.46 3ie0 s ILE 360 N 2.24 0.07 -1.14 4.11 1.01 -1.01 -4.88 121.20 121.60 3ie0 s ILE 360 Ca 0.17 0.29 -0.05 0.00 0.00 0.00 0.00 60.65 61.06 3ie0 s ILE 360 Cb -0.16 -0.27 -0.03 0.00 0.01 0.00 0.00 42.46 42.01 3ie0 s ILE 360 CO 0.11 0.19 0.89 0.18 0.00 0.00 0.00 174.94 176.32 3ie0 n LEU 361 N 5.05 -4.50 -3.99 2.97 4.77 -1.26 -3.32 117.00 116.72 3ie0 n LEU 361 Ca -0.09 -0.74 -0.43 0.00 -0.03 0.00 0.00 56.01 54.73 3ie0 n LEU 361 Cb 0.50 -3.01 0.02 0.00 -2.33 0.00 0.00 43.42 38.60 3ie0 n LEU 361 CO 0.10 0.27 -0.15 0.61 -1.33 0.00 0.00 177.39 176.89 3ie0 n GLY 362 N -1.31 -0.85 3.64 -0.72 0.00 -1.26 -4.96 105.19 99.73 3ie0 n GLY 362 Ca -0.17 0.36 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 -7.09 0.32 -0.02 1.61 2.12 -1.21 -5.15 118.70 109.28 3ie0 s GLU 363 Ca 0.48 0.44 -0.26 0.00 0.36 0.00 0.00 54.97 55.98 3ie0 s GLU 363 Cb -0.24 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.24 3ie0 s GLU 363 CO 0.95 -0.05 0.82 -2.00 -0.54 0.00 0.00 175.26 174.44 3ie0 s GLU 364 N 0.52 4.50 -0.04 4.30 2.56 -1.26 -2.40 118.70 126.88 3ie0 s GLU 364 Ca 0.00 1.12 0.03 0.00 0.00 0.00 0.00 54.97 56.12 3ie0 s GLU 364 Cb -0.04 -3.44 0.01 0.00 2.00 0.00 0.00 34.13 32.65 3ie0 s GLU 364 CO -0.11 0.05 -0.11 0.54 -0.56 0.00 0.00 175.26 175.07 3ie0 s VAL 365 N 0.75 0.97 0.24 3.70 0.11 -0.58 -4.96 120.40 120.62 3ie0 s VAL 365 Ca 0.43 -0.43 -0.31 0.00 -2.93 0.00 0.00 61.98 58.75 3ie0 s VAL 365 Cb -0.19 -0.88 -0.11 0.00 -1.53 0.00 0.00 36.38 33.67 3ie0 s VAL 365 CO 0.23 0.31 1.57 -2.84 -3.33 0.00 0.00 175.10 171.04 3ie0 s PRO 366 N 0.40 4.18 -1.11 1.54 0.02 -1.26 -1.55 135.00 137.22 3ie0 s PRO 366 Ca -0.08 2.46 -0.08 0.00 0.02 0.00 0.00 61.00 63.32 3ie0 s PRO 366 Cb -0.12 -3.08 0.28 0.00 0.02 0.00 0.00 34.50 31.60 3ie0 s PRO 366 CO 0.02 -0.60 1.15 -0.11 -0.33 0.00 0.00 177.00 177.13 3ie0 n LEU 367 N 2.97 5.59 -0.45 -5.54 7.94 -1.20 -2.08 117.00 124.22 3ie0 n LEU 367 Ca 0.11 -5.07 0.07 0.00 -1.11 0.00 0.00 56.01 50.00 3ie0 n LEU 367 Cb 0.38 -1.44 0.04 0.00 0.53 0.00 0.00 43.42 42.93 3ie0 n LEU 367 CO 0.62 1.40 0.38 0.54 -1.11 0.00 0.00 177.39 179.23 3ie0 n ARG 368 N 2.48 1.25 -3.03 1.96 1.74 -0.26 -4.95 116.66 115.85 3ie0 n ARG 368 Ca 0.24 -1.09 -0.40 0.00 -0.77 0.00 0.00 57.85 55.83 3ie0 n ARG 368 Cb 0.38 -1.23 -0.05 0.00 -1.02 0.00 0.00 32.46 30.55 3ie0 n ARG 368 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ie0 s ALA 369 N -1.30 3.35 0.10 7.54 0.00 -0.46 -3.87 121.76 127.12 3ie0 s ALA 369 Ca 0.14 0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.96 3ie0 s ALA 369 Cb 0.11 -2.96 -0.10 0.00 0.00 0.00 0.00 23.12 20.17 3ie0 s ALA 369 CO 0.22 -0.05 1.88 -1.13 0.00 0.00 0.00 175.76 176.68 3ie0 n SER 370 N 3.50 4.10 -4.74 0.00 3.41 -0.81 -4.79 113.62 114.30 3ie0 n SER 370 Ca -0.02 0.96 -0.36 0.00 -0.26 0.00 0.00 58.87 59.19 3ie0 n SER 370 Cb 0.51 -1.54 -0.07 0.00 -0.26 0.00 0.00 64.21 62.85 3ie0 n SER 370 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ie0 s VAL 371 N 3.22 5.30 0.01 -3.33 1.01 -1.26 -0.63 120.40 124.72 3ie0 s VAL 371 Ca 0.84 0.54 0.04 0.00 0.00 0.00 0.00 61.98 63.40 3ie0 s VAL 371 Cb -0.46 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3ie0 s VAL 371 CO 0.38 0.40 -0.12 -1.00 0.00 0.00 0.00 175.10 174.77 3ie0 s HIS 372 N 0.36 1.07 -0.17 5.22 3.76 0.56 -4.96 115.29 121.13 3ie0 s HIS 372 Ca 0.16 -0.26 -0.03 0.00 -0.15 0.00 0.00 55.06 54.78 3ie0 s HIS 372 Cb -0.13 -0.66 0.06 0.00 1.11 0.00 0.00 32.58 32.95 3ie0 s HIS 372 CO 0.04 -0.00 0.05 0.99 -0.85 0.00 0.00 174.74 174.97 3ie0 s THR 373 N -0.53 0.28 -0.46 1.30 2.01 -1.26 0.38 115.64 117.36 3ie0 s THR 373 Ca 0.03 -0.34 -0.18 0.00 0.31 0.00 0.00 61.69 61.51 3ie0 s THR 373 Cb -0.06 -0.81 0.04 0.00 0.01 0.00 0.00 72.50 71.68 3ie0 s THR 373 CO 0.00 -0.19 0.50 -0.76 -0.69 0.00 0.00 174.62 173.49 3ie0 s LEU 374 N 1.97 5.01 -0.25 4.42 1.43 0.34 -4.95 118.68 126.64 3ie0 s LEU 374 Ca 0.01 -0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 52.25 3ie0 s LEU 374 Cb -0.16 -2.39 0.13 0.00 0.03 0.00 0.00 46.19 43.79 3ie0 s LEU 374 CO -0.08 -0.71 2.19 0.61 0.23 0.00 0.00 176.35 178.59 3ie0 n GLY 375 N 5.14 3.74 0.00 -3.19 0.00 -1.26 -3.36 105.19 106.27 3ie0 n GLY 375 Ca -0.08 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3ie0 n GLY 375 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie0 n GLY 376 N 0.76 0.38 1.60 -0.02 0.00 -1.26 -0.50 105.19 106.15 3ie0 n GLY 376 Ca 0.27 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.36 3ie0 n GLY 376 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ie0 n PHE 377 N -0.75 1.60 -2.51 1.61 3.01 -1.21 -4.72 117.46 114.49 3ie0 n PHE 377 Ca 0.00 -0.58 -0.41 0.00 1.01 0.00 0.00 57.45 57.46 3ie0 n PHE 377 Cb 0.00 -0.35 -0.04 0.00 -0.01 0.00 0.00 39.48 39.08 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 -2.21 3.58 0.16 1.38 4.12 -1.25 -4.64 117.35 118.48 3ie0 s TYR 378 Ca 0.47 1.57 -0.19 0.00 0.02 0.00 0.00 57.07 58.94 3ie0 s TYR 378 Cb 0.33 -3.29 0.06 0.00 -1.52 0.00 0.00 41.96 37.54 3ie0 s TYR 378 CO 0.17 -0.67 1.66 0.78 0.02 0.00 0.00 175.55 177.52 3ie0 h GLY 379 N 5.31 0.15 -1.52 0.71 0.00 -1.93 -3.41 103.07 102.38 3ie0 h GLY 379 Ca -0.44 0.16 -0.45 0.00 0.00 0.00 0.00 47.33 46.60 3ie0 h GLY 379 CO 0.73 -0.15 0.10 0.30 0.00 0.00 0.00 176.54 177.52 3ie0 s HIS 380 N -6.18 2.95 0.27 5.60 3.76 -1.26 -3.32 115.29 117.11 3ie0 s HIS 380 Ca -0.14 0.27 -0.29 0.00 -0.15 0.00 0.00 55.06 54.75 3ie0 s HIS 380 Cb 0.13 -2.92 -0.09 0.00 1.11 0.00 0.00 32.58 30.81 3ie0 s HIS 380 CO 0.70 -1.07 1.20 0.00 -0.85 0.00 0.00 174.74 174.72 3ie0 s ALA 381 N -2.98 3.45 0.82 -1.40 0.00 0.10 -3.87 121.76 117.88 3ie0 s ALA 381 Ca 0.58 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 53.47 3ie0 s ALA 381 Cb -0.11 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.70 3ie0 s ALA 381 CO 0.42 -0.38 1.10 0.20 0.00 0.00 0.00 175.76 177.10 3ie0 s GLY 382 N -0.49 1.66 0.32 0.00 0.00 -1.26 -4.42 107.32 103.13 3ie0 s GLY 382 Ca 0.48 0.24 0.05 0.00 0.00 0.00 0.00 44.72 45.49 3ie0 s GLY 382 CO 0.44 0.63 1.85 -1.61 0.00 0.00 0.00 173.10 174.41 3ie0 h GLN 383 N -1.32 0.83 0.00 2.90 4.15 -0.72 0.20 115.11 121.15 3ie0 h GLN 383 Ca -0.45 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 58.88 3ie0 h GLN 383 Cb 1.25 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 3ie0 h GLN 383 CO 0.51 0.55 -0.21 0.38 -1.93 0.00 0.00 178.83 178.13 3ie0 h ASP 384 N 0.86 0.00 0.05 -0.69 -0.00 -1.88 -2.09 116.42 112.66 3ie0 h ASP 384 Ca 0.47 0.00 -0.16 0.00 -0.00 0.00 0.00 57.03 57.34 3ie0 h ASP 384 Cb 0.58 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 39.93 3ie0 h ASP 384 CO -0.23 0.21 -0.64 -0.33 -0.00 0.00 0.00 179.24 178.24 3ie0 h GLU 385 N 0.00 0.35 -0.86 4.15 5.08 -1.33 -3.02 114.58 118.94 3ie0 h GLU 385 Ca -0.00 -0.44 0.04 0.00 -1.00 0.00 0.00 59.36 57.96 3ie0 h GLU 385 Cb 0.43 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 3ie0 h GLU 385 CO 0.03 1.14 0.55 -0.07 -1.00 0.00 0.00 179.01 179.66 3ie0 h LEU 386 N -0.24 0.91 -2.02 1.33 4.07 -1.22 0.37 115.31 118.50 3ie0 h LEU 386 Ca -0.09 -0.00 0.09 0.00 0.08 0.00 0.00 57.88 57.95 3ie0 h LEU 386 Cb 1.40 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 3ie0 h LEU 386 CO 0.12 0.61 0.23 -0.07 -1.08 0.00 0.00 178.44 178.26 3ie0 h LEU 387 N 1.06 0.00 0.00 1.67 3.38 -1.40 0.18 115.31 120.19 3ie0 h LEU 387 Ca 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 3ie0 h LEU 387 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3ie0 h LEU 387 CO -0.13 0.00 -0.19 0.44 0.09 0.00 0.00 178.44 178.65 3ie0 h ASP 388 N 0.00 0.00 -0.08 -0.43 3.45 -0.34 -2.93 116.42 116.09 3ie0 h ASP 388 Ca 0.15 -0.89 0.04 0.00 0.43 0.00 0.00 57.03 56.76 3ie0 h ASP 388 Cb 0.60 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.33 3ie0 h ASP 388 CO -0.00 1.05 -0.21 -0.25 -1.57 0.00 0.00 179.24 178.26 3ie0 h TRP 389 N -1.00 -0.55 0.00 4.55 7.01 0.04 -1.92 115.95 124.07 3ie0 h TRP 389 Ca -0.05 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.97 3ie0 h TRP 389 Cb 1.01 0.26 0.00 0.00 -2.10 0.00 0.00 29.16 28.33 3ie0 h TRP 389 CO 0.24 -0.29 0.00 -0.07 -2.79 0.00 0.00 178.44 175.53 3ie0 h LEU 390 N -0.29 0.00 -9.31 0.65 -0.00 -0.82 -3.42 115.31 102.12 3ie0 h LEU 390 Ca 0.08 0.00 -0.66 0.00 -0.00 0.00 0.00 57.88 57.30 3ie0 h LEU 390 Cb 0.41 0.00 0.07 0.00 -0.00 0.00 0.00 40.66 41.14 3ie0 h LEU 390 CO -0.25 0.00 0.37 1.67 -0.00 0.00 0.00 178.44 180.23 3ie0 n GLN 391 N -2.66 1.19 0.00 1.13 7.27 -0.72 -1.87 117.38 121.72 3ie0 n GLN 391 Ca 0.00 0.43 0.00 0.00 0.07 0.00 0.00 57.00 57.50 3ie0 n GLN 391 Cb 0.21 -2.00 0.00 0.00 2.41 0.00 0.00 30.24 30.86 3ie0 n GLN 391 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ie0 n GLY 392 N 2.27 2.90 3.67 1.69 0.00 -1.26 -5.04 105.19 109.41 3ie0 n GLY 392 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.70 4.30 0.53 1.61 0.41 -0.78 -4.96 118.70 119.11 3ie0 s GLU 393 Ca 0.00 1.44 0.18 0.00 -0.41 0.00 0.00 54.97 56.18 3ie0 s GLU 393 Cb 0.00 -3.63 1.33 0.00 -1.78 0.00 0.00 34.13 30.05 3ie0 s GLU 393 CO 0.00 -0.56 2.16 -1.00 -0.49 0.00 0.00 175.26 175.37 3ie0 h PRO 394 N 7.49 0.00 -2.83 0.39 0.13 -1.91 -3.44 132.00 131.84 3ie0 h PRO 394 Ca -0.24 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.75 3ie0 h PRO 394 Cb 1.09 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.96 3ie0 h PRO 394 CO 0.94 0.01 -0.35 0.50 -0.23 0.00 0.00 178.00 178.87 3ie0 s ARG 395 N -5.00 0.35 -0.04 0.86 3.52 -1.26 -2.80 118.95 114.58 3ie0 s ARG 395 Ca -0.05 0.61 0.01 0.00 -0.13 0.00 0.00 55.73 56.17 3ie0 s ARG 395 Cb 0.17 0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.62 3ie0 s ARG 395 CO 0.66 -0.12 -0.04 0.08 -0.81 0.00 0.00 175.30 175.07 3ie0 s VAL 396 N 0.89 0.48 -0.20 7.11 1.01 -0.14 -2.12 120.40 127.43 3ie0 s VAL 396 Ca -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 3ie0 s VAL 396 Cb -0.07 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 3ie0 s VAL 396 CO -0.07 0.21 -0.05 -0.69 0.00 0.00 0.00 175.10 174.50 3ie0 s VAL 397 N 0.90 3.39 0.46 2.92 1.01 0.39 -2.82 120.40 126.65 3ie0 s VAL 397 Ca -0.11 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 3ie0 s VAL 397 Cb -0.14 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 3ie0 s VAL 397 CO 0.00 0.44 0.83 -0.76 0.00 0.00 0.00 175.10 175.61 3ie0 s LEU 398 N 1.24 3.69 0.27 3.92 1.02 -0.03 -2.32 118.68 126.47 3ie0 s LEU 398 Ca 0.03 1.18 -0.20 0.00 0.02 0.00 0.00 54.13 55.16 3ie0 s LEU 398 Cb -0.14 -4.11 0.06 0.00 0.02 0.00 0.00 46.19 42.02 3ie0 s LEU 398 CO -0.02 -0.52 0.89 0.68 0.02 0.00 0.00 176.35 177.41 3ie0 s VAL 399 N -2.58 0.00 -0.33 -1.59 -7.23 -0.80 -1.60 120.40 106.27 3ie0 s VAL 399 Ca 0.52 -0.81 -0.11 0.00 -1.81 0.00 0.00 61.98 59.78 3ie0 s VAL 399 Cb -0.10 -2.62 0.01 0.00 0.56 0.00 0.00 36.38 34.24 3ie0 s VAL 399 CO 0.37 0.00 0.30 1.57 -0.31 0.00 0.00 175.10 177.02 3ie0 n HIS 400 N -0.57 -3.12 0.00 2.82 -0.00 0.41 -2.17 115.22 112.60 3ie0 n HIS 400 Ca -0.06 1.32 0.00 0.00 -0.00 0.00 0.00 57.72 58.99 3ie0 n HIS 400 Cb 0.60 -3.34 0.00 0.00 -0.00 0.00 0.00 29.99 27.24 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 0.32 3.62 3.65 1.57 0.00 0.40 -1.74 105.19 113.01 3ie0 n GLY 401 Ca 0.03 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.20 3.96 0.03 1.61 2.02 -1.26 -0.27 118.70 122.58 3ie0 s GLU 402 Ca 0.00 2.38 -0.06 0.00 0.02 0.00 0.00 54.97 57.31 3ie0 s GLU 402 Cb 0.00 -4.16 -0.01 0.00 0.10 0.00 0.00 34.13 30.06 3ie0 s GLU 402 CO 0.00 -1.15 0.34 -1.91 0.02 0.00 0.00 175.26 172.55 3ie0 n GLU 403 N 7.69 -0.08 -0.28 1.61 2.13 -1.24 0.12 120.64 130.59 3ie0 n GLU 403 Ca 0.21 0.33 0.08 0.00 0.66 0.00 0.00 57.16 58.44 3ie0 n GLU 403 Cb 0.42 -0.49 0.21 0.00 0.27 0.00 0.00 31.44 31.85 3ie0 n GLU 403 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3ie0 h GLU 404 N 0.00 0.13 -0.53 5.31 3.07 -1.93 0.35 114.58 120.97 3ie0 h GLU 404 Ca 0.03 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.91 3ie0 h GLU 404 Cb 0.08 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.92 3ie0 h GLU 404 CO -0.17 0.08 0.32 0.87 -1.40 0.00 0.00 179.01 178.70 3ie0 h LYS 405 N 0.13 0.61 -0.21 2.33 1.79 0.58 -1.02 116.57 120.77 3ie0 h LYS 405 Ca 0.47 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 3ie0 h LYS 405 Cb 0.87 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.38 3ie0 h LYS 405 CO -0.68 0.40 0.14 -0.07 -1.08 0.00 0.00 179.45 178.15 3ie0 h LEU 406 N 0.62 0.25 -1.03 2.94 4.07 -0.08 -1.79 115.31 120.30 3ie0 h LEU 406 Ca 0.22 -0.03 0.07 0.00 0.08 0.00 0.00 57.88 58.22 3ie0 h LEU 406 Cb 0.04 -0.06 -0.07 0.00 1.08 0.00 0.00 40.66 41.64 3ie0 h LEU 406 CO -0.10 0.21 0.64 -0.07 -1.08 0.00 0.00 178.44 178.03 3ie0 h LEU 407 N 0.28 1.01 0.42 1.67 -0.00 -0.59 0.12 115.31 118.22 3ie0 h LEU 407 Ca 0.08 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 3ie0 h LEU 407 Cb -0.01 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.44 3ie0 h LEU 407 CO -0.02 0.64 -0.29 0.00 -0.00 0.00 0.00 178.44 178.77 3ie0 h ALA 408 N 1.47 -0.69 -0.44 1.53 0.00 -0.60 0.39 119.26 120.92 3ie0 h ALA 408 Ca 0.43 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3ie0 h ALA 408 Cb 0.21 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3ie0 h ALA 408 CO -0.18 -0.91 0.22 1.25 0.00 0.00 0.00 179.25 179.64 3ie0 h LEU 409 N -0.69 0.32 -0.73 0.00 6.46 -0.42 -2.18 115.31 118.07 3ie0 h LEU 409 Ca -0.04 0.02 0.13 0.00 -0.12 0.00 0.00 57.88 57.87 3ie0 h LEU 409 Cb 0.58 -0.04 -0.09 0.00 -0.73 0.00 0.00 40.66 40.38 3ie0 h LEU 409 CO 0.02 0.23 0.29 1.23 -0.62 0.00 0.00 178.44 179.59 3ie0 h GLY 410 N 0.45 1.09 0.70 3.75 0.00 -0.35 -0.18 103.07 108.53 3ie0 h GLY 410 Ca 0.19 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.42 3ie0 h GLY 410 CO -0.13 -0.07 0.16 1.70 0.00 0.00 0.00 176.54 178.19 3ie0 h LYS 411 N 0.45 0.32 -0.22 4.80 3.64 -0.28 0.74 116.57 126.02 3ie0 h LYS 411 Ca 0.39 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 3ie0 h LYS 411 Cb 0.57 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3ie0 h LYS 411 CO -0.38 0.21 0.01 -0.07 -2.27 0.00 0.00 179.45 176.95 3ie0 h LEU 412 N 0.33 0.37 -1.46 5.20 3.38 -1.15 0.16 115.31 122.14 3ie0 h LEU 412 Ca 0.18 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3ie0 h LEU 412 Cb 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3ie0 h LEU 412 CO -0.16 0.58 0.00 -0.07 0.09 0.00 0.00 178.44 178.87 3ie0 h LEU 413 N 0.15 0.32 0.22 1.67 3.38 -0.78 -2.00 115.31 118.26 3ie0 h LEU 413 Ca 0.06 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ie0 h LEU 413 Cb 0.38 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3ie0 h LEU 413 CO 0.01 0.38 -0.10 0.00 0.09 0.00 0.00 178.44 178.81 3ie0 h ALA 414 N 1.67 -1.03 -1.02 1.53 0.00 0.97 -1.85 119.26 119.53 3ie0 h ALA 414 Ca 0.08 -0.06 0.31 0.00 0.00 0.00 0.00 54.91 55.24 3ie0 h ALA 414 Cb 0.23 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.99 3ie0 h ALA 414 CO 0.00 -1.00 0.60 -0.07 0.00 0.00 0.00 179.25 178.78 3ie0 h LEU 415 N -0.30 0.53 0.00 0.00 3.38 -0.81 0.60 115.31 118.70 3ie0 h LEU 415 Ca -0.03 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3ie0 h LEU 415 Cb 0.22 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ie0 h LEU 415 CO 0.05 -0.09 0.00 -1.14 0.09 0.00 0.00 178.44 177.35 3ie0 n ARG 416 N -4.98 0.22 -0.49 1.13 0.63 -0.77 -4.80 116.66 107.60 3ie0 n ARG 416 Ca 0.31 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 3ie0 n ARG 416 Cb 0.97 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.38 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 -0.37 1.06 3.41 5.14 0.00 0.21 -5.08 105.19 109.55 3ie0 n GLY 417 Ca 0.06 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.26 3.50 -0.36 1.61 -0.21 -0.70 -5.00 119.66 117.24 3ie0 s GLN 418 Ca 0.00 -0.61 -0.27 0.00 0.02 0.00 0.00 55.36 54.50 3ie0 s GLN 418 Cb 0.00 -2.81 -0.05 0.00 1.00 0.00 0.00 33.01 31.15 3ie0 s GLN 418 CO 0.00 0.15 2.20 -2.00 -2.12 0.00 0.00 175.29 173.52 3ie0 s GLU 419 N 0.56 2.75 0.33 2.91 2.12 -1.12 -3.97 118.70 122.27 3ie0 s GLU 419 Ca -0.05 1.62 0.08 0.00 0.36 0.00 0.00 54.97 56.98 3ie0 s GLU 419 Cb -0.15 -4.43 -0.04 0.00 0.26 0.00 0.00 34.13 29.78 3ie0 s GLU 419 CO 0.03 -2.54 0.18 0.54 -0.54 0.00 0.00 175.26 172.93 3ie0 s VAL 420 N 9.56 3.32 -0.13 3.70 0.11 -1.26 -0.97 120.40 134.74 3ie0 s VAL 420 Ca 0.94 -1.59 -0.34 0.00 -2.93 0.00 0.00 61.98 58.06 3ie0 s VAL 420 Cb -0.24 -3.06 0.14 0.00 -1.53 0.00 0.00 36.38 31.69 3ie0 s VAL 420 CO 0.31 -0.21 1.37 -0.94 -3.33 0.00 0.00 175.10 172.30 3ie0 s SER 421 N -3.88 -0.03 -0.29 3.54 1.04 -1.13 -4.98 113.70 107.98 3ie0 s SER 421 Ca 0.38 -0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.79 3ie0 s SER 421 Cb -0.04 0.06 0.07 0.00 0.10 0.00 0.00 66.02 66.20 3ie0 s SER 421 CO 0.24 -0.10 -0.04 -0.76 0.98 0.00 0.00 173.24 173.56 3ie0 s LEU 422 N -2.71 3.88 0.21 2.42 1.02 -1.26 -0.85 118.68 121.38 3ie0 s LEU 422 Ca 0.14 -1.52 -0.26 0.00 0.02 0.00 0.00 54.13 52.51 3ie0 s LEU 422 Cb 0.04 -1.62 -0.16 0.00 0.02 0.00 0.00 46.19 44.47 3ie0 s LEU 422 CO -0.05 -0.26 0.46 0.00 0.02 0.00 0.00 176.35 176.52 3ie0 n ALA 423 N 4.46 -2.81 -2.54 4.21 0.00 -0.63 -4.91 120.51 118.29 3ie0 n ALA 423 Ca -0.10 0.39 -0.33 0.00 0.00 0.00 0.00 53.44 53.41 3ie0 n ALA 423 Cb 0.42 -1.53 -0.14 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.96 2.57 0.26 0.00 0.52 -1.26 -4.27 118.95 115.81 3ie0 s ARG 424 Ca 0.61 -0.73 -0.29 0.00 -0.52 0.00 0.00 55.73 54.79 3ie0 s ARG 424 Cb -0.87 -2.36 -0.14 0.00 0.52 0.00 0.00 34.95 32.10 3ie0 s ARG 424 CO 0.54 0.56 1.11 0.34 0.02 0.00 0.00 175.30 177.86 3ie0 n PHE 425 N 2.50 1.44 0.00 -0.53 7.35 -1.26 -1.44 117.46 125.52 3ie0 n PHE 425 Ca -0.17 0.66 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 3ie0 n PHE 425 Cb 0.52 -2.29 0.00 0.00 0.35 0.00 0.00 39.48 38.06 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 1.49 1.24 3.46 7.13 0.00 -0.21 -4.94 105.19 113.36 3ie0 n GLY 426 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 3.17 0.64 1.61 2.02 -0.52 -4.88 118.70 120.75 3ie0 s GLU 427 Ca 0.00 -0.75 -0.18 0.00 0.02 0.00 0.00 54.97 54.06 3ie0 s GLU 427 Cb 0.00 -4.11 -0.01 0.00 0.10 0.00 0.00 34.13 30.11 3ie0 s GLU 427 CO 0.00 -1.35 1.26 0.20 0.02 0.00 0.00 175.26 175.40 3ie0 s GLY 428 N 2.85 2.77 -0.16 -1.39 0.00 -1.26 -4.29 107.32 105.84 3ie0 s GLY 428 Ca 0.19 1.13 -0.01 0.00 0.00 0.00 0.00 44.72 46.03 3ie0 s GLY 428 CO 0.13 1.54 -0.04 0.14 0.00 0.00 0.00 173.10 174.88 3ie0 s VAL 429 N -1.51 0.97 0.53 1.40 1.01 -0.37 -4.93 120.40 117.49 3ie0 s VAL 429 Ca 0.80 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 62.03 3ie0 s VAL 429 Cb -0.35 -1.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.80 3ie0 s VAL 429 CO 0.39 0.11 1.34 -0.81 0.00 0.00 0.00 175.10 176.13 3ie0 n PRO 430 N 4.92 1.73 0.00 2.72 -0.04 -1.26 -2.18 135.00 140.89 3ie0 n PRO 430 Ca -0.11 0.63 0.11 0.00 -0.04 0.00 0.00 63.50 64.09 3ie0 n PRO 430 Cb 0.48 -2.55 0.09 0.00 -0.04 0.00 0.00 33.50 31.48 3ie0 n PRO 430 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74