#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ie1 s ARG 2 N 0.00 0.73 -0.13 2.12 0.52 -0.26 -1.67 118.95 120.27 3ie1 s ARG 2 Ca 0.00 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.20 3ie1 s ARG 2 Cb 0.00 0.28 0.02 0.00 0.52 0.00 0.00 34.95 35.77 3ie1 s ARG 2 CO 0.00 -0.20 -0.11 -1.50 0.02 0.00 0.00 175.30 173.51 3ie1 s ILE 3 N -3.70 1.28 -0.37 1.52 1.10 -1.08 -0.57 121.20 119.38 3ie1 s ILE 3 Ca 0.04 -0.46 -0.10 0.00 -0.51 0.00 0.00 60.65 59.62 3ie1 s ILE 3 Cb 0.05 -1.24 0.03 0.00 0.15 0.00 0.00 42.46 41.45 3ie1 s ILE 3 CO -0.10 0.41 0.20 -0.69 -2.11 0.00 0.00 174.94 172.65 3ie1 s VAL 4 N 1.52 4.49 0.11 4.00 1.01 -0.12 -1.09 120.40 130.32 3ie1 s VAL 4 Ca 0.03 -0.90 -0.31 0.00 0.00 0.00 0.00 61.98 60.80 3ie1 s VAL 4 Cb -0.13 -3.51 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 3ie1 s VAL 4 CO -0.08 -0.24 1.63 -2.84 0.00 0.00 0.00 175.10 173.57 3ie1 s PRO 5 N 1.54 4.20 -0.13 2.72 0.02 -1.26 -1.64 135.00 140.45 3ie1 s PRO 5 Ca 0.02 2.36 0.17 0.00 0.02 0.00 0.00 61.00 63.56 3ie1 s PRO 5 Cb -0.19 -3.42 0.29 0.00 0.02 0.00 0.00 34.50 31.20 3ie1 s PRO 5 CO 0.06 -0.69 1.15 1.19 -0.33 0.00 0.00 177.00 178.39 3ie1 n PHE 6 N 4.94 0.00 0.00 6.54 3.72 0.30 0.40 117.46 133.36 3ie1 n PHE 6 Ca 0.15 -1.01 0.00 0.00 -0.05 0.00 0.00 57.45 56.54 3ie1 n PHE 6 Cb 0.40 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 3ie1 n PHE 6 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ie1 n GLY 7 N -1.31 0.20 3.83 1.37 0.00 -1.09 -4.60 105.19 103.58 3ie1 n GLY 7 Ca 0.15 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 3ie1 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie1 n ALA 8 N -0.34 -1.24 -3.25 4.61 0.00 -0.15 -4.31 120.51 115.83 3ie1 n ALA 8 Ca 0.00 0.19 -0.36 0.00 0.00 0.00 0.00 53.44 53.27 3ie1 n ALA 8 Cb 0.00 -4.32 -0.13 0.00 0.00 0.00 0.00 19.45 15.00 3ie1 n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ie1 s ALA 9 N -3.26 3.01 -0.79 0.00 0.00 -1.26 -0.10 121.76 119.37 3ie1 s ALA 9 Ca 0.63 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.34 3ie1 s ALA 9 Cb -0.32 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 20.83 3ie1 s ALA 9 CO 0.78 -0.61 0.00 0.54 0.00 0.00 0.00 175.76 176.47 3ie1 n ARG 10 N 4.86 -1.66 -4.11 0.00 1.74 -1.26 -4.90 116.66 111.34 3ie1 n ARG 10 Ca -0.16 0.74 -0.14 0.00 -0.77 0.00 0.00 57.85 57.51 3ie1 n ARG 10 Cb 0.50 -5.10 -0.05 0.00 -1.02 0.00 0.00 32.46 26.79 3ie1 n ARG 10 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3ie1 s GLU 11 N -2.53 1.78 -0.09 5.56 -1.05 0.03 -3.55 118.70 118.84 3ie1 s GLU 11 Ca 0.00 -1.70 0.10 0.00 -0.15 0.00 0.00 54.97 53.22 3ie1 s GLU 11 Cb 0.00 0.42 -0.14 0.00 -0.44 0.00 0.00 34.13 33.96 3ie1 s GLU 11 CO 0.00 -0.72 0.08 1.33 0.95 0.00 0.00 175.26 176.90 3ie1 n VAL 12 N -0.52 0.62 -2.31 1.83 0.24 -1.26 -0.51 118.33 116.43 3ie1 n VAL 12 Ca 0.01 -0.43 -0.27 0.00 -2.04 0.00 0.00 64.34 61.62 3ie1 n VAL 12 Cb 0.62 -0.55 0.16 0.00 -1.47 0.00 0.00 33.84 32.60 3ie1 n VAL 12 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ie1 s THR 13 N -2.36 2.02 -0.37 3.34 -4.23 -1.26 -4.43 115.64 108.35 3ie1 s THR 13 Ca -0.05 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 3ie1 s THR 13 Cb 0.04 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.20 3ie1 s THR 13 CO 0.45 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 3ie1 n GLY 14 N -3.31 0.49 3.37 3.99 0.00 -0.10 -0.98 105.19 108.65 3ie1 n GLY 14 Ca 0.16 -0.09 -0.53 0.00 0.00 0.00 0.00 46.02 45.56 3ie1 n GLY 14 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ie1 n SER 15 N -0.55 1.14 -3.64 1.61 2.88 -1.12 -3.71 113.62 110.21 3ie1 n SER 15 Ca -0.04 0.45 -0.01 0.00 -1.33 0.00 0.00 58.87 57.94 3ie1 n SER 15 Cb 0.36 -1.04 -0.04 0.00 -0.75 0.00 0.00 64.21 62.74 3ie1 n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ie1 s ALA 16 N 7.25 -2.05 -0.14 -1.46 0.00 -1.26 -1.54 121.76 122.57 3ie1 s ALA 16 Ca 1.19 2.35 -0.02 0.00 0.00 0.00 0.00 51.96 55.48 3ie1 s ALA 16 Cb -1.20 -1.76 0.04 0.00 0.00 0.00 0.00 23.12 20.20 3ie1 s ALA 16 CO 0.56 -0.88 0.00 -1.01 0.00 0.00 0.00 175.76 174.43 3ie1 s HIS 17 N 2.77 1.01 -0.22 0.00 0.09 -0.14 0.11 115.29 118.91 3ie1 s HIS 17 Ca -0.06 -0.61 -0.29 0.00 -0.00 0.00 0.00 55.06 54.10 3ie1 s HIS 17 Cb -0.11 -0.99 -0.00 0.00 -0.00 0.00 0.00 32.58 31.47 3ie1 s HIS 17 CO -0.19 -0.49 1.19 -1.17 -0.00 0.00 0.00 174.74 174.07 3ie1 s LEU 18 N 1.86 4.09 -0.25 0.89 2.96 -0.65 -1.13 118.68 126.44 3ie1 s LEU 18 Ca 0.02 1.47 -0.14 0.00 -0.22 0.00 0.00 54.13 55.26 3ie1 s LEU 18 Cb -0.15 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3ie1 s LEU 18 CO -0.07 -0.79 0.32 -0.22 -1.32 0.00 0.00 176.35 174.27 3ie1 s LEU 19 N 3.56 4.07 -0.30 -0.68 2.96 0.37 -0.95 118.68 127.72 3ie1 s LEU 19 Ca 0.51 0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 54.67 3ie1 s LEU 19 Cb -0.18 -2.36 0.04 0.00 0.50 0.00 0.00 46.19 44.19 3ie1 s LEU 19 CO 0.13 -0.11 0.01 -0.76 -1.32 0.00 0.00 176.35 174.31 3ie1 s LEU 20 N 1.72 3.82 0.09 -0.68 1.43 0.26 -0.30 118.68 125.02 3ie1 s LEU 20 Ca 0.14 -1.14 -0.27 0.00 -1.03 0.00 0.00 54.13 51.83 3ie1 s LEU 20 Cb -0.15 -1.74 0.08 0.00 0.03 0.00 0.00 46.19 44.41 3ie1 s LEU 20 CO 0.09 -0.24 0.96 0.00 0.23 0.00 0.00 176.35 177.38 3ie1 s ALA 21 N 1.31 -1.75 -1.19 4.21 0.00 -0.78 -1.10 121.76 122.45 3ie1 s ALA 21 Ca -0.03 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3ie1 s ALA 21 Cb -0.19 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.47 3ie1 s ALA 21 CO -0.01 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.24 3ie1 n GLY 22 N -0.39 1.07 3.03 0.00 0.00 -1.26 0.17 105.19 107.81 3ie1 n GLY 22 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3ie1 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie1 n GLY 23 N -0.20 1.26 3.96 -0.02 0.00 -1.26 -4.52 105.19 104.41 3ie1 n GLY 23 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 3ie1 n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie1 s ARG 24 N -0.03 3.42 -0.44 1.61 1.81 0.46 -5.08 118.95 120.71 3ie1 s ARG 24 Ca 0.00 -0.75 0.03 0.00 -1.72 0.00 0.00 55.73 53.29 3ie1 s ARG 24 Cb 0.00 -2.89 0.12 0.00 -0.45 0.00 0.00 34.95 31.73 3ie1 s ARG 24 CO 0.00 0.44 0.18 1.03 -0.68 0.00 0.00 175.30 176.27 3ie1 s ARG 25 N -3.89 1.64 -0.09 3.54 0.52 -1.26 -1.88 118.95 117.54 3ie1 s ARG 25 Ca 0.34 -2.20 -0.15 0.00 -0.52 0.00 0.00 55.73 53.20 3ie1 s ARG 25 Cb -0.09 -3.06 -0.05 0.00 0.52 0.00 0.00 34.95 32.27 3ie1 s ARG 25 CO 0.29 -1.05 0.38 0.08 0.02 0.00 0.00 175.30 175.02 3ie1 s VAL 26 N 0.30 5.18 -0.24 3.52 1.01 0.59 -0.12 120.40 130.63 3ie1 s VAL 26 Ca 0.15 0.76 -0.08 0.00 0.00 0.00 0.00 61.98 62.81 3ie1 s VAL 26 Cb -0.23 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3ie1 s VAL 26 CO -0.04 0.44 0.09 -0.22 0.00 0.00 0.00 175.10 175.37 3ie1 s LEU 27 N -0.06 3.63 -0.46 3.92 0.20 -0.74 0.14 118.68 125.31 3ie1 s LEU 27 Ca 0.22 -0.11 -0.18 0.00 0.69 0.00 0.00 54.13 54.75 3ie1 s LEU 27 Cb -0.15 -1.97 0.05 0.00 -0.43 0.00 0.00 46.19 43.69 3ie1 s LEU 27 CO 0.09 0.01 0.50 -0.76 -0.29 0.00 0.00 176.35 175.90 3ie1 s LEU 28 N 1.39 5.05 0.50 -0.68 1.02 -0.29 -0.72 118.68 124.95 3ie1 s LEU 28 Ca 0.06 -0.89 0.00 0.00 0.02 0.00 0.00 54.13 53.32 3ie1 s LEU 28 Cb -0.15 -2.38 0.00 0.00 0.02 0.00 0.00 46.19 43.69 3ie1 s LEU 28 CO 0.05 -0.71 0.00 0.47 0.02 0.00 0.00 176.35 176.17 3ie1 n ASP 29 N 5.74 -6.57 -2.84 2.29 8.00 0.27 -0.97 116.55 122.47 3ie1 n ASP 29 Ca -0.08 1.15 -0.11 0.00 0.71 0.00 0.00 54.79 56.46 3ie1 n ASP 29 Cb 0.46 -4.06 0.05 0.00 -0.02 0.00 0.00 41.12 37.55 3ie1 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ie1 s GLY 31 N -1.54 1.56 0.40 0.00 0.00 -0.59 -0.41 107.32 106.75 3ie1 s GLY 31 Ca 0.27 -0.70 -0.02 0.00 0.00 0.00 0.00 44.72 44.27 3ie1 s GLY 31 CO -0.09 -0.48 0.65 -3.16 0.00 0.00 0.00 173.10 170.02 3ie1 s MET 32 N -4.84 3.50 0.41 2.90 0.23 -0.99 -4.17 119.30 116.34 3ie1 s MET 32 Ca 0.51 -0.12 -0.09 0.00 -1.03 0.00 0.00 55.69 54.95 3ie1 s MET 32 Cb -0.10 -2.54 -0.06 0.00 -1.53 0.00 0.00 34.83 30.59 3ie1 s MET 32 CO 0.44 -0.00 0.76 -0.06 -2.03 0.00 0.00 175.02 174.13 3ie1 s PHE 33 N -2.49 3.49 0.02 3.16 0.08 -1.26 -0.93 117.98 120.05 3ie1 s PHE 33 Ca 0.43 0.99 0.01 0.00 0.12 0.00 0.00 56.93 58.48 3ie1 s PHE 33 Cb -0.10 -2.40 -0.02 0.00 -0.57 0.00 0.00 43.02 39.93 3ie1 s PHE 33 CO 0.40 -0.12 -0.05 -0.65 -0.10 0.00 0.00 175.22 174.70 3ie1 s GLN 34 N -3.97 0.39 5.57 0.44 -0.21 -1.26 -4.42 119.66 116.21 3ie1 s GLN 34 Ca 0.50 -0.53 0.00 0.00 0.02 0.00 0.00 55.36 55.36 3ie1 s GLN 34 Cb -0.10 -0.18 0.00 0.00 1.00 0.00 0.00 33.01 33.73 3ie1 s GLN 34 CO 0.33 0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.94 3ie1 n GLY 35 N 1.96 1.75 0.24 3.09 0.00 -1.26 -3.75 105.19 107.23 3ie1 n GLY 35 Ca -0.20 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 3ie1 n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie1 h LYS 36 N 0.00 0.84 0.00 1.61 1.57 -2.06 -3.08 116.57 115.45 3ie1 h LYS 36 Ca 0.00 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 3ie1 h LYS 36 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3ie1 h LYS 36 CO 0.00 1.20 0.00 0.39 -0.57 0.00 0.00 179.45 180.47 3ie1 n GLU 37 N -3.98 0.04 -0.16 3.15 -0.58 -1.25 -4.35 120.64 113.52 3ie1 n GLU 37 Ca -0.05 0.05 0.02 0.00 -0.42 0.00 0.00 57.16 56.77 3ie1 n GLU 37 Cb 0.66 -1.55 0.06 0.00 -0.57 0.00 0.00 31.44 30.04 3ie1 n GLU 37 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3ie1 n GLU 38 N -1.63 -0.05 -0.31 3.49 1.02 -1.16 0.73 120.64 122.73 3ie1 n GLU 38 Ca 0.06 0.67 -0.00 0.00 -0.02 0.00 0.00 57.16 57.87 3ie1 n GLU 38 Cb 0.34 -1.00 0.13 0.00 -0.02 0.00 0.00 31.44 30.89 3ie1 n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ie1 h ALA 39 N 0.83 1.16 0.00 0.62 0.00 -1.84 -1.74 119.26 118.29 3ie1 h ALA 39 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ie1 h ALA 39 Cb 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ie1 h ALA 39 CO -0.44 0.33 0.11 0.54 0.00 0.00 0.00 179.25 179.78 3ie1 n ARG 40 N -4.59 0.00 0.19 0.00 1.74 0.22 0.64 116.66 114.87 3ie1 n ARG 40 Ca 0.12 0.25 0.07 0.00 -0.77 0.00 0.00 57.85 57.51 3ie1 n ARG 40 Cb 0.14 -1.61 0.28 0.00 -1.02 0.00 0.00 32.46 30.25 3ie1 n ARG 40 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3ie1 h ASN 41 N 0.00 0.00 0.42 0.55 -0.26 -1.41 -2.94 115.58 111.94 3ie1 h ASN 41 Ca 0.00 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.43 3ie1 h ASN 41 Cb 0.21 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.49 3ie1 h ASN 41 CO 0.00 0.33 -1.43 0.45 -1.06 0.00 0.00 177.43 175.72 3ie1 h HIS 42 N 0.00 0.70 -2.60 1.19 3.86 0.01 -3.47 115.15 114.84 3ie1 h HIS 42 Ca -0.00 -0.51 -0.41 0.00 -1.16 0.00 0.00 60.37 58.29 3ie1 h HIS 42 Cb 1.00 -0.03 0.22 0.00 1.06 0.00 0.00 27.41 29.66 3ie1 h HIS 42 CO 0.00 1.44 -0.54 0.00 0.86 0.00 0.00 177.93 179.69 3ie1 n ALA 43 N -2.65 -3.59 -1.80 2.45 0.00 -1.11 -4.95 120.51 108.85 3ie1 n ALA 43 Ca -0.14 -1.35 -0.35 0.00 0.00 0.00 0.00 53.44 51.60 3ie1 n ALA 43 Cb 1.06 -1.60 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 3ie1 n ALA 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ie1 s PRO 44 N -3.96 4.18 0.20 0.00 0.04 -1.26 -4.97 135.00 129.22 3ie1 s PRO 44 Ca 0.59 1.30 -0.13 0.00 0.04 0.00 0.00 61.00 62.80 3ie1 s PRO 44 Cb -0.16 -2.35 0.22 0.00 0.04 0.00 0.00 34.50 32.25 3ie1 s PRO 44 CO 0.61 -0.09 1.67 0.74 0.04 0.00 0.00 177.00 179.97 3ie1 h PHE 45 N 2.18 -0.08 0.00 0.56 0.04 -1.93 -3.46 116.94 114.26 3ie1 h PHE 45 Ca -0.49 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.33 3ie1 h PHE 45 Cb 1.20 0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.47 3ie1 h PHE 45 CO 0.60 -0.15 0.00 0.41 -0.60 0.00 0.00 178.31 178.57 3ie1 n GLY 46 N -1.34 0.91 3.29 -1.45 0.00 -1.26 -5.00 105.19 100.34 3ie1 n GLY 46 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3ie1 n GLY 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ie1 s PHE 47 N -2.00 0.38 -0.49 1.61 -0.71 -1.26 -5.10 117.98 110.42 3ie1 s PHE 47 Ca 0.00 -0.76 -0.22 0.00 -1.04 0.00 0.00 56.93 54.91 3ie1 s PHE 47 Cb 0.00 -0.09 0.04 0.00 -1.21 0.00 0.00 43.02 41.76 3ie1 s PHE 47 CO 0.00 -0.67 0.76 0.34 -1.34 0.00 0.00 175.22 174.31 3ie1 s ASP 48 N -2.95 6.33 0.36 1.98 2.15 -1.26 -4.93 116.67 118.35 3ie1 s ASP 48 Ca 0.15 -0.41 0.13 0.00 0.43 0.00 0.00 52.55 52.85 3ie1 s ASP 48 Cb 0.04 -2.36 0.94 0.00 -0.30 0.00 0.00 42.92 41.24 3ie1 s ASP 48 CO -0.02 -0.97 1.80 1.55 -0.17 0.00 0.00 175.17 177.36 3ie1 h PRO 49 N 9.05 0.54 0.00 4.34 0.13 -1.91 0.69 132.00 144.84 3ie1 h PRO 49 Ca -0.26 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3ie1 h PRO 49 Cb 1.09 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 3ie1 h PRO 49 CO 0.98 0.36 -0.02 0.87 -0.23 0.00 0.00 178.00 179.96 3ie1 h LYS 50 N 0.56 0.00 -0.66 0.86 1.57 -1.86 -2.49 116.57 114.55 3ie1 h LYS 50 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 3ie1 h LYS 50 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3ie1 h LYS 50 CO -0.30 0.02 0.00 0.39 -0.57 0.00 0.00 179.45 178.99 3ie1 n GLU 51 N -3.19 4.01 -3.51 3.15 -0.58 0.23 -4.90 120.64 115.85 3ie1 n GLU 51 Ca -0.01 -2.49 -0.37 0.00 -0.42 0.00 0.00 57.16 53.87 3ie1 n GLU 51 Cb 0.18 -2.07 -0.07 0.00 -0.57 0.00 0.00 31.44 28.91 3ie1 n GLU 51 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3ie1 s VAL 52 N -2.33 5.29 0.20 2.62 1.01 -0.94 -4.64 120.40 121.62 3ie1 s VAL 52 Ca 0.43 0.60 0.07 0.00 0.00 0.00 0.00 61.98 63.09 3ie1 s VAL 52 Cb 0.32 -3.65 -0.11 0.00 0.00 0.00 0.00 36.38 32.94 3ie1 s VAL 52 CO 0.14 0.39 1.46 0.44 0.00 0.00 0.00 175.10 177.53 3ie1 h ASP 53 N 6.59 0.09 0.00 3.32 3.32 -0.87 -3.44 116.42 125.43 3ie1 h ASP 53 Ca -0.42 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3ie1 h ASP 53 Cb 1.17 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3ie1 h ASP 53 CO 0.75 0.83 0.00 0.00 -1.72 0.00 0.00 179.24 179.10 3ie1 n ALA 54 N -2.42 0.00 -2.54 3.45 0.00 -1.24 -4.46 120.51 113.30 3ie1 n ALA 54 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 3ie1 n ALA 54 Cb 0.75 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.08 3ie1 n ALA 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ie1 s VAL 55 N -1.05 3.30 -0.07 0.00 0.11 0.07 -1.78 120.40 120.97 3ie1 s VAL 55 Ca 0.00 -0.95 0.03 0.00 -2.93 0.00 0.00 61.98 58.13 3ie1 s VAL 55 Cb 0.00 -2.42 -0.02 0.00 -1.53 0.00 0.00 36.38 32.41 3ie1 s VAL 55 CO 0.00 0.37 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.23 3ie1 s LEU 56 N -1.44 2.66 -0.18 2.54 1.02 0.10 0.00 118.68 123.39 3ie1 s LEU 56 Ca 0.16 -0.26 -0.03 0.00 0.02 0.00 0.00 54.13 54.01 3ie1 s LEU 56 Cb -0.11 -1.55 -0.02 0.00 0.02 0.00 0.00 46.19 44.53 3ie1 s LEU 56 CO 0.07 0.28 -0.05 -0.76 0.02 0.00 0.00 176.35 175.91 3ie1 s LEU 57 N -0.36 3.05 0.06 1.79 1.02 -0.02 -0.57 118.68 123.66 3ie1 s LEU 57 Ca 0.03 -0.25 -0.16 0.00 0.02 0.00 0.00 54.13 53.77 3ie1 s LEU 57 Cb -0.12 -1.75 -0.17 0.00 0.02 0.00 0.00 46.19 44.17 3ie1 s LEU 57 CO 0.02 0.10 1.26 0.71 0.02 0.00 0.00 176.35 178.46 3ie1 h THR 58 N 5.39 1.34 -3.04 5.49 1.35 -1.88 -3.43 112.91 118.13 3ie1 h THR 58 Ca -0.34 -1.83 0.04 0.00 -0.55 0.00 0.00 66.41 63.73 3ie1 h THR 58 Cb 1.18 2.09 -0.04 0.00 -1.73 0.00 0.00 68.15 69.65 3ie1 h THR 58 CO 0.60 0.56 0.22 -1.38 -0.25 0.00 0.00 175.52 175.28 3ie1 s HIS 59 N -3.75 -0.09 -2.02 4.73 -3.43 -1.26 -1.26 115.29 108.20 3ie1 s HIS 59 Ca -0.12 -0.41 0.31 0.00 -0.80 0.00 0.00 55.06 54.05 3ie1 s HIS 59 Cb 0.07 0.71 1.75 0.00 -1.43 0.00 0.00 32.58 33.68 3ie1 s HIS 59 CO 0.85 -1.30 2.14 0.00 -2.00 0.00 0.00 174.74 174.43 3ie1 n ALA 60 N -0.47 2.66 -1.73 -1.38 0.00 -1.26 -4.65 120.51 113.68 3ie1 n ALA 60 Ca -0.05 -0.23 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 3ie1 n ALA 60 Cb 0.59 -1.47 0.02 0.00 0.00 0.00 0.00 19.45 18.60 3ie1 n ALA 60 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ie1 n HIS 61 N -0.86 2.40 0.15 0.00 8.25 -1.26 -4.68 115.22 119.22 3ie1 n HIS 61 Ca 0.22 0.46 0.16 0.00 -0.26 0.00 0.00 57.72 58.31 3ie1 n HIS 61 Cb 0.16 -2.41 0.74 0.00 1.12 0.00 0.00 29.99 29.60 3ie1 n HIS 61 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3ie1 h LEU 62 N 2.10 0.00 -0.08 2.41 5.85 -1.95 -1.00 115.31 122.64 3ie1 h LEU 62 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3ie1 h LEU 62 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3ie1 h LEU 62 CO 0.60 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.80 3ie1 n ASP 63 N -4.16 0.12 0.00 1.25 5.75 -1.26 0.95 116.55 119.20 3ie1 n ASP 63 Ca 0.03 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 3ie1 n ASP 63 Cb 0.36 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 3ie1 n ASP 63 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3ie1 n HIS 64 N -0.52 0.00 0.00 2.11 8.25 -0.41 -2.81 115.22 121.84 3ie1 n HIS 64 Ca 0.05 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3ie1 n HIS 64 Cb 0.04 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 3ie1 n HIS 64 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3ie1 n VAL 65 N -0.02 0.00 0.23 1.59 0.31 -1.03 -1.55 118.33 117.85 3ie1 n VAL 65 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3ie1 n VAL 65 Cb 0.20 0.00 0.51 0.00 -0.91 0.00 0.00 33.84 33.64 3ie1 n VAL 65 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3ie1 h GLY 66 N 0.00 0.00 0.00 2.92 0.00 0.52 -0.61 103.07 105.90 3ie1 h GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ie1 h GLY 66 CO 0.00 0.00 -1.05 0.54 0.00 0.00 0.00 176.54 176.03 3ie1 n ARG 67 N -2.94 0.73 -0.23 4.80 1.74 0.46 -4.53 116.66 116.68 3ie1 n ARG 67 Ca 0.03 -0.03 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 3ie1 n ARG 67 Cb 0.75 -1.40 0.06 0.00 -1.02 0.00 0.00 32.46 30.85 3ie1 n ARG 67 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3ie1 h LEU 68 N 0.00 -0.83 -2.44 0.55 5.85 -0.23 0.59 115.31 118.80 3ie1 h LEU 68 Ca 0.00 0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.95 3ie1 h LEU 68 Cb 0.52 0.49 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3ie1 h LEU 68 CO 0.00 -0.26 0.18 1.55 -0.34 0.00 0.00 178.44 179.57 3ie1 h PRO 69 N -0.05 0.00 0.07 5.25 0.13 -1.81 0.14 132.00 135.73 3ie1 h PRO 69 Ca 0.31 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.28 3ie1 h PRO 69 Cb 0.53 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.68 3ie1 h PRO 69 CO -0.72 0.00 -0.64 -0.22 -0.23 0.00 0.00 178.00 176.19 3ie1 h LYS 70 N 0.00 0.32 -0.68 0.86 3.64 -0.13 -2.25 116.57 118.32 3ie1 h LYS 70 Ca 0.01 -0.43 0.12 0.00 -1.27 0.00 0.00 60.65 59.09 3ie1 h LYS 70 Cb 0.38 0.14 -0.13 0.00 -0.41 0.00 0.00 32.23 32.21 3ie1 h LYS 70 CO -0.00 1.15 -0.29 1.25 -2.27 0.00 0.00 179.45 179.29 3ie1 h LEU 71 N -0.30 -1.03 -0.73 5.20 5.85 -0.06 0.25 115.31 124.49 3ie1 h LEU 71 Ca -0.10 0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 3ie1 h LEU 71 Cb 1.43 0.55 -0.01 0.00 0.37 0.00 0.00 40.66 43.00 3ie1 h LEU 71 CO 0.12 -0.28 -0.30 -0.26 -0.34 0.00 0.00 178.44 177.38 3ie1 h PHE 72 N -0.09 0.73 -0.02 1.25 -1.00 -1.54 -2.16 116.94 114.11 3ie1 h PHE 72 Ca 0.29 -0.18 0.01 0.00 2.81 0.00 0.00 57.97 60.89 3ie1 h PHE 72 Cb 0.55 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 39.95 3ie1 h PHE 72 CO -0.65 0.86 0.06 -0.09 -1.61 0.00 0.00 178.31 176.89 3ie1 h ARG 73 N 0.54 0.00 -0.45 1.51 2.43 0.05 -0.58 114.38 117.88 3ie1 h ARG 73 Ca 0.07 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 3ie1 h ARG 73 Cb 0.79 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.26 3ie1 h ARG 73 CO 0.06 0.00 0.08 0.39 -1.51 0.00 0.00 179.97 178.99 3ie1 n GLU 74 N -3.28 2.81 0.00 0.20 1.02 -0.30 -4.97 120.64 116.12 3ie1 n GLU 74 Ca -0.02 -3.02 0.00 0.00 -0.02 0.00 0.00 57.16 54.10 3ie1 n GLU 74 Cb 0.14 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 3ie1 n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ie1 n GLY 75 N -0.62 1.85 3.60 0.62 0.00 -0.22 -4.47 105.19 105.95 3ie1 n GLY 75 Ca 0.32 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 3ie1 n GLY 75 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ie1 n TYR 76 N -0.16 0.97 -1.49 1.61 4.19 -1.06 -4.76 117.16 116.46 3ie1 n TYR 76 Ca 0.00 0.52 0.00 0.00 3.31 0.00 0.00 57.90 61.73 3ie1 n TYR 76 Cb 0.00 -2.19 0.00 0.00 0.49 0.00 0.00 39.34 37.64 3ie1 n TYR 76 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3ie1 n ARG 77 N -0.12 0.00 -0.51 2.98 3.00 -1.26 -4.49 116.66 116.25 3ie1 n ARG 77 Ca 0.10 -0.24 -0.09 0.00 -0.01 0.00 0.00 57.85 57.61 3ie1 n ARG 77 Cb 0.42 -0.26 0.07 0.00 0.00 0.00 0.00 32.46 32.69 3ie1 n ARG 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ie1 n GLY 78 N 0.00 -1.63 3.84 -0.13 0.00 -1.26 -5.03 105.19 100.97 3ie1 n GLY 78 Ca 0.00 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 3ie1 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ie1 s PRO 79 N -3.86 4.02 -0.33 1.61 0.04 -1.26 -4.88 135.00 130.34 3ie1 s PRO 79 Ca 0.23 0.87 0.01 0.00 0.04 0.00 0.00 61.00 62.15 3ie1 s PRO 79 Cb -0.01 -2.25 0.10 0.00 0.04 0.00 0.00 34.50 32.39 3ie1 s PRO 79 CO 0.17 -0.08 0.09 0.08 0.04 0.00 0.00 177.00 177.29 3ie1 s VAL 80 N -2.33 1.40 0.09 -0.36 1.01 -0.02 -0.76 120.40 119.43 3ie1 s VAL 80 Ca 0.58 -1.79 -0.23 0.00 0.00 0.00 0.00 61.98 60.53 3ie1 s VAL 80 Cb -0.10 -2.04 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 3ie1 s VAL 80 CO 0.23 -0.66 0.71 -0.31 0.00 0.00 0.00 175.10 175.07 3ie1 s TYR 81 N 1.30 3.80 0.18 5.22 1.51 0.10 -1.33 117.35 128.14 3ie1 s TYR 81 Ca 0.11 1.45 -0.05 0.00 -1.01 0.00 0.00 57.07 57.57 3ie1 s TYR 81 Cb -0.18 -2.71 0.02 0.00 -0.11 0.00 0.00 41.96 38.98 3ie1 s TYR 81 CO -0.18 0.43 0.33 0.00 -1.11 0.00 0.00 175.55 175.02 3ie1 n ALA 82 N 2.15 -0.60 -2.65 3.71 0.00 -1.13 -0.85 120.51 121.15 3ie1 n ALA 82 Ca -0.06 -0.68 -0.24 0.00 0.00 0.00 0.00 53.44 52.46 3ie1 n ALA 82 Cb 0.50 0.54 -0.01 0.00 0.00 0.00 0.00 19.45 20.48 3ie1 n ALA 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ie1 s THR 83 N -2.59 5.10 0.32 0.00 -4.23 -1.25 0.14 115.64 113.13 3ie1 s THR 83 Ca 0.10 -0.41 0.03 0.00 -1.18 0.00 0.00 61.69 60.23 3ie1 s THR 83 Cb -0.02 -3.85 0.29 0.00 1.34 0.00 0.00 72.50 70.27 3ie1 s THR 83 CO 0.07 -0.52 1.90 -0.09 -0.54 0.00 0.00 174.62 175.44 3ie1 h ARG 84 N 0.89 0.90 0.04 3.99 2.43 -1.94 0.84 114.38 121.54 3ie1 h ARG 84 Ca -0.49 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 58.64 3ie1 h ARG 84 Cb 1.21 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 3ie1 h ARG 84 CO 0.62 0.59 -0.16 0.00 -1.51 0.00 0.00 179.97 179.52 3ie1 h ALA 85 N 1.54 -0.22 -0.80 2.80 0.00 -1.91 0.28 119.26 120.94 3ie1 h ALA 85 Ca 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 3ie1 h ALA 85 Cb 0.35 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3ie1 h ALA 85 CO -0.17 -0.66 0.50 1.15 0.00 0.00 0.00 179.25 180.06 3ie1 h THR 86 N -0.28 1.22 -0.10 0.00 2.02 -1.48 -1.26 112.91 113.03 3ie1 h THR 86 Ca 0.04 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3ie1 h THR 86 Cb 0.33 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3ie1 h THR 86 CO -0.12 0.23 0.06 0.58 0.37 0.00 0.00 175.52 176.64 3ie1 h VAL 87 N 1.10 1.04 -0.26 3.16 2.07 -0.04 -0.34 116.25 122.99 3ie1 h VAL 87 Ca 0.29 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 3ie1 h VAL 87 Cb -0.06 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3ie1 h VAL 87 CO -0.06 0.04 -0.01 -0.07 0.02 0.00 0.00 177.57 177.49 3ie1 h LEU 88 N 0.11 0.45 0.04 2.57 3.38 -0.27 -3.05 115.31 118.55 3ie1 h LEU 88 Ca 0.04 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3ie1 h LEU 88 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3ie1 h LEU 88 CO -0.01 0.67 -0.15 -0.07 0.09 0.00 0.00 178.44 178.97 3ie1 h LEU 89 N 0.23 -0.41 -0.98 1.67 3.38 -1.18 -3.00 115.31 115.02 3ie1 h LEU 89 Ca 0.07 0.06 0.32 0.00 0.09 0.00 0.00 57.88 58.41 3ie1 h LEU 89 Cb 0.44 0.17 -0.17 0.00 0.09 0.00 0.00 40.66 41.18 3ie1 h LEU 89 CO 0.02 -0.21 0.26 -0.03 0.09 0.00 0.00 178.44 178.56 3ie1 h MET 90 N -0.27 0.05 -0.39 1.13 4.05 -1.02 0.18 114.93 118.66 3ie1 h MET 90 Ca 0.04 -0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.49 3ie1 h MET 90 Cb 0.31 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.06 3ie1 h MET 90 CO -0.11 0.03 0.17 1.49 0.23 0.00 0.00 176.91 178.72 3ie1 h GLU 91 N 0.05 0.35 -0.19 0.39 4.81 -1.42 -0.60 114.58 117.98 3ie1 h GLU 91 Ca 0.68 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.87 3ie1 h GLU 91 Cb 1.57 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.87 3ie1 h GLU 91 CO -0.82 0.23 0.04 0.82 -0.73 0.00 0.00 179.01 178.55 3ie1 h ILE 92 N 0.36 1.22 -0.07 2.32 2.04 -0.78 -1.94 117.51 120.66 3ie1 h ILE 92 Ca 0.17 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.36 3ie1 h ILE 92 Cb 0.11 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3ie1 h ILE 92 CO -0.15 0.22 -0.19 0.58 0.00 0.00 0.00 178.15 178.61 3ie1 h VAL 93 N 0.11 0.54 0.60 1.67 2.07 -0.91 -2.32 116.25 118.00 3ie1 h VAL 93 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 3ie1 h VAL 93 Cb 0.30 0.54 0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3ie1 h VAL 93 CO 0.00 0.00 -0.29 -0.07 0.02 0.00 0.00 177.57 177.24 3ie1 h LEU 94 N -0.27 -0.68 -0.98 2.57 4.07 -1.12 -2.06 115.31 116.84 3ie1 h LEU 94 Ca 0.08 -0.03 0.34 0.00 0.08 0.00 0.00 57.88 58.34 3ie1 h LEU 94 Cb 0.38 0.18 -0.16 0.00 1.08 0.00 0.00 40.66 42.13 3ie1 h LEU 94 CO -0.22 -0.36 0.46 -0.33 -1.08 0.00 0.00 178.44 176.91 3ie1 h GLU 95 N -0.99 0.17 -0.09 1.13 4.39 -1.33 0.46 114.58 118.33 3ie1 h GLU 95 Ca -0.08 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 3ie1 h GLU 95 Cb 0.67 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3ie1 h GLU 95 CO 0.13 0.11 -0.09 0.22 -1.16 0.00 0.00 179.01 178.23 3ie1 h ASP 96 N 0.18 0.22 -0.93 1.42 1.82 -1.30 -3.10 116.42 114.73 3ie1 h ASP 96 Ca 0.73 -0.48 0.20 0.00 -0.39 0.00 0.00 57.03 57.09 3ie1 h ASP 96 Cb 1.74 -0.06 -0.11 0.00 0.68 0.00 0.00 39.33 41.57 3ie1 h ASP 96 CO -0.70 0.66 0.49 0.00 -1.61 0.00 0.00 179.24 178.09 3ie1 h ALA 97 N 0.57 1.52 0.32 -0.78 0.00 0.58 0.82 119.26 122.27 3ie1 h ALA 97 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ie1 h ALA 97 Cb 0.60 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3ie1 h ALA 97 CO 0.02 -0.20 -0.40 -0.07 0.00 0.00 0.00 179.25 178.60 3ie1 h LEU 98 N 0.57 -1.11 -1.65 0.00 3.38 -1.03 0.11 115.31 115.58 3ie1 h LEU 98 Ca 0.56 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.61 3ie1 h LEU 98 Cb 0.96 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 3ie1 h LEU 98 CO -0.44 -0.53 0.01 0.11 0.09 0.00 0.00 178.44 177.68 3ie1 h LYS 99 N -0.76 0.23 0.00 1.13 1.57 -1.04 -2.82 116.57 114.88 3ie1 h LYS 99 Ca -0.02 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 3ie1 h LYS 99 Cb 0.71 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3ie1 h LYS 99 CO -0.11 0.24 -0.81 0.28 -0.57 0.00 0.00 179.45 178.48 3ie1 h VAL 100 N 0.23 1.51 -3.17 0.50 2.07 -0.42 -3.46 116.25 113.51 3ie1 h VAL 100 Ca 0.06 -2.83 -0.53 0.00 0.82 0.00 0.00 66.70 64.22 3ie1 h VAL 100 Cb 0.14 2.55 0.05 0.00 -1.52 0.00 0.00 31.29 32.51 3ie1 h VAL 100 CO 0.00 0.79 0.78 -0.04 0.02 0.00 0.00 177.57 179.12 3ie1 s MET 101 N -3.05 4.27 -0.10 1.57 -1.94 -0.02 -4.93 119.30 115.11 3ie1 s MET 101 Ca 0.01 2.26 -0.14 0.00 -1.71 0.00 0.00 55.69 56.10 3ie1 s MET 101 Cb 0.11 -3.15 -0.12 0.00 2.01 0.00 0.00 34.83 33.67 3ie1 s MET 101 CO 0.79 -0.46 0.45 0.38 -0.01 0.00 0.00 175.02 176.17 3ie1 h ASP 102 N 5.82 -0.05 -3.44 3.03 2.03 -1.89 -3.38 116.42 118.54 3ie1 h ASP 102 Ca -0.44 -0.41 -0.75 0.00 -0.73 0.00 0.00 57.03 54.70 3ie1 h ASP 102 Cb 1.21 0.01 -0.32 0.00 -0.83 0.00 0.00 39.33 39.41 3ie1 h ASP 102 CO 0.83 0.63 0.15 -1.61 -1.03 0.00 0.00 179.24 178.21 3ie1 s GLU 103 N -2.19 3.70 -0.45 4.15 0.41 -1.26 -5.02 118.70 118.03 3ie1 s GLU 103 Ca -0.09 -3.26 -0.26 0.00 -0.41 0.00 0.00 54.97 50.95 3ie1 s GLU 103 Cb -0.01 -4.23 -0.07 0.00 -1.78 0.00 0.00 34.13 28.05 3ie1 s GLU 103 CO 0.33 -1.25 2.38 -1.25 -0.49 0.00 0.00 175.26 174.98 3ie1 s PRO 104 N -1.32 2.24 -0.06 0.39 0.04 -1.26 -4.77 135.00 130.26 3ie1 s PRO 104 Ca 0.29 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.84 3ie1 s PRO 104 Cb -0.08 -4.55 0.16 0.00 0.04 0.00 0.00 34.50 30.06 3ie1 s PRO 104 CO -0.10 -3.12 0.85 1.97 0.04 0.00 0.00 177.00 176.64 3ie1 n PHE 105 N 15.32 0.48 -3.65 0.56 1.16 -1.26 -4.81 117.46 125.26 3ie1 n PHE 105 Ca 0.36 -0.29 -0.01 0.00 -1.87 0.00 0.00 57.45 55.64 3ie1 n PHE 105 Cb 0.54 -0.23 -0.01 0.00 -1.61 0.00 0.00 39.48 38.16 3ie1 n PHE 105 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 3ie1 s PHE 106 N -1.21 -0.10 0.31 2.97 -0.71 -1.26 -4.81 117.98 113.17 3ie1 s PHE 106 Ca 0.11 -0.06 0.05 0.00 -1.04 0.00 0.00 56.93 55.99 3ie1 s PHE 106 Cb 0.09 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 42.44 3ie1 s PHE 106 CO 0.03 -0.45 0.28 0.20 -1.34 0.00 0.00 175.22 173.94 3ie1 s GLY 107 N -2.85 2.07 0.42 1.99 0.00 -1.26 -5.00 107.32 102.68 3ie1 s GLY 107 Ca 0.13 -1.94 0.24 0.00 0.00 0.00 0.00 44.72 43.15 3ie1 s GLY 107 CO -0.02 -1.40 1.70 -0.56 0.00 0.00 0.00 173.10 172.81 3ie1 h PRO 108 N 2.22 0.23 -0.60 2.90 0.13 -2.01 0.70 132.00 135.57 3ie1 h PRO 108 Ca -0.27 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.75 3ie1 h PRO 108 Cb 1.24 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3ie1 h PRO 108 CO 0.39 0.15 0.02 1.05 -0.23 0.00 0.00 178.00 179.38 3ie1 h GLU 109 N 0.24 1.03 -0.19 0.86 9.09 -1.99 0.44 114.58 124.05 3ie1 h GLU 109 Ca 0.71 -0.31 -0.12 0.00 0.05 0.00 0.00 59.36 59.69 3ie1 h GLU 109 Cb 2.02 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 29.02 3ie1 h GLU 109 CO -0.37 1.00 -0.35 -0.44 0.05 0.00 0.00 179.01 178.90 3ie1 h ASP 110 N 0.95 0.65 -0.09 3.06 3.32 0.02 -1.72 116.42 122.61 3ie1 h ASP 110 Ca 0.17 -0.54 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 3ie1 h ASP 110 Cb 0.53 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 3ie1 h ASP 110 CO 0.03 1.06 0.05 0.58 -1.72 0.00 0.00 179.24 179.24 3ie1 h VAL 111 N 0.25 1.08 -0.56 -1.35 2.07 -0.92 0.13 116.25 116.95 3ie1 h VAL 111 Ca 0.01 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.37 3ie1 h VAL 111 Cb 0.94 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 3ie1 h VAL 111 CO 0.08 0.07 0.29 -0.08 0.02 0.00 0.00 177.57 177.95 3ie1 h GLU 112 N 0.06 0.54 -0.42 1.57 4.81 -0.93 0.59 114.58 120.79 3ie1 h GLU 112 Ca 0.03 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3ie1 h GLU 112 Cb 0.06 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3ie1 h GLU 112 CO -0.01 0.35 0.14 1.49 -0.73 0.00 0.00 179.01 180.26 3ie1 h GLU 113 N 0.55 0.65 0.61 1.92 4.57 -1.05 -1.68 114.58 120.15 3ie1 h GLU 113 Ca 0.25 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 3ie1 h GLU 113 Cb 0.16 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3ie1 h GLU 113 CO -0.17 0.63 -0.30 0.00 -1.18 0.00 0.00 179.01 177.99 3ie1 h ALA 114 N 0.99 -0.83 -0.56 2.92 0.00 -0.19 -2.56 119.26 119.03 3ie1 h ALA 114 Ca 0.14 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.97 3ie1 h ALA 114 Cb 0.24 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3ie1 h ALA 114 CO -0.01 -0.97 0.38 -0.07 0.00 0.00 0.00 179.25 178.59 3ie1 h LEU 115 N -0.83 0.31 -2.07 0.00 3.38 -0.88 -1.78 115.31 113.45 3ie1 h LEU 115 Ca -0.08 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3ie1 h LEU 115 Cb 0.64 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3ie1 h LEU 115 CO 0.13 0.18 0.08 1.23 0.09 0.00 0.00 178.44 180.15 3ie1 h GLY 116 N 0.34 0.00 -3.30 0.83 0.00 -0.87 -2.37 103.07 97.70 3ie1 h GLY 116 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3ie1 h GLY 116 CO -0.06 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.90 3ie1 n HIS 117 N -4.39 1.88 -2.80 5.60 8.25 -0.67 -4.92 115.22 118.16 3ie1 n HIS 117 Ca -0.01 -0.65 -0.42 0.00 -0.26 0.00 0.00 57.72 56.38 3ie1 n HIS 117 Cb 0.19 -0.47 -0.03 0.00 1.12 0.00 0.00 29.99 30.80 3ie1 n HIS 117 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ie1 s LEU 118 N -2.47 4.11 -0.13 2.41 1.43 -0.89 -0.84 118.68 122.29 3ie1 s LEU 118 Ca 0.49 1.19 0.02 0.00 -1.03 0.00 0.00 54.13 54.81 3ie1 s LEU 118 Cb 0.37 -3.33 0.01 0.00 0.03 0.00 0.00 46.19 43.28 3ie1 s LEU 118 CO 0.15 -0.55 -0.19 -0.13 0.23 0.00 0.00 176.35 175.86 3ie1 s ARG 119 N 2.85 2.68 0.23 1.70 0.52 -0.44 -4.95 118.95 121.53 3ie1 s ARG 119 Ca 0.39 -0.73 -0.31 0.00 -0.52 0.00 0.00 55.73 54.56 3ie1 s ARG 119 Cb -0.15 -2.22 -0.14 0.00 0.52 0.00 0.00 34.95 32.95 3ie1 s ARG 119 CO 0.08 -0.06 1.28 -0.35 0.02 0.00 0.00 175.30 176.27 3ie1 n PRO 120 N 4.20 1.70 -3.36 3.54 -0.04 -1.26 -2.82 135.00 136.96 3ie1 n PRO 120 Ca -0.19 0.60 -0.15 0.00 -0.04 0.00 0.00 63.50 63.72 3ie1 n PRO 120 Cb 0.51 -2.18 -0.08 0.00 -0.04 0.00 0.00 33.50 31.72 3ie1 n PRO 120 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ie1 s LEU 121 N 0.23 -0.32 0.61 1.53 2.96 0.37 -4.83 118.68 119.24 3ie1 s LEU 121 Ca 0.68 -0.95 -0.05 0.00 -0.22 0.00 0.00 54.13 53.59 3ie1 s LEU 121 Cb -0.71 0.67 0.03 0.00 0.50 0.00 0.00 46.19 46.68 3ie1 s LEU 121 CO 0.52 -0.34 0.90 -1.61 -1.32 0.00 0.00 176.35 174.51 3ie1 s GLU 122 N 2.09 2.65 0.25 1.98 0.41 -1.26 -3.84 118.70 120.97 3ie1 s GLU 122 Ca 0.12 -0.23 -0.31 0.00 -0.41 0.00 0.00 54.97 54.14 3ie1 s GLU 122 Cb -0.14 -2.29 -0.13 0.00 -1.78 0.00 0.00 34.13 29.79 3ie1 s GLU 122 CO -0.23 -0.84 1.45 0.66 -0.49 0.00 0.00 175.26 175.81 3ie1 n TYR 123 N -2.62 2.32 -1.06 1.61 4.01 -1.26 -1.70 117.16 118.46 3ie1 n TYR 123 Ca 0.06 0.39 -0.02 0.00 -0.16 0.00 0.00 57.90 58.17 3ie1 n TYR 123 Cb 0.59 -2.49 -0.01 0.00 -0.31 0.00 0.00 39.34 37.12 3ie1 n TYR 123 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ie1 n GLY 124 N 2.17 0.56 3.46 2.72 0.00 -1.22 -5.00 105.19 107.88 3ie1 n GLY 124 Ca 0.11 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 3ie1 n GLY 124 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ie1 s GLU 125 N -1.60 3.52 -0.22 1.61 2.12 -0.69 -5.05 118.70 118.40 3ie1 s GLU 125 Ca 0.00 -0.58 -0.17 0.00 0.36 0.00 0.00 54.97 54.58 3ie1 s GLU 125 Cb 0.00 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 3ie1 s GLU 125 CO 0.00 -0.30 0.44 -1.58 -0.54 0.00 0.00 175.26 173.28 3ie1 s TRP 126 N 1.63 3.34 -0.12 5.30 0.52 -1.26 -4.37 118.94 123.98 3ie1 s TRP 126 Ca 0.05 0.63 -0.06 0.00 0.02 0.00 0.00 56.10 56.75 3ie1 s TRP 126 Cb -0.16 -2.60 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 3ie1 s TRP 126 CO 0.06 -0.10 0.11 -1.17 0.02 0.00 0.00 176.95 175.86 3ie1 s LEU 127 N 1.64 4.21 -0.14 2.99 2.96 -0.13 -4.94 118.68 125.27 3ie1 s LEU 127 Ca 0.20 0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.52 3ie1 s LEU 127 Cb -0.15 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.54 3ie1 s LEU 127 CO 0.09 0.39 -0.19 -0.13 -1.32 0.00 0.00 176.35 175.19 3ie1 s ARG 128 N -0.94 2.71 -0.11 1.98 0.52 -1.26 -0.59 118.95 121.26 3ie1 s ARG 128 Ca 0.14 -0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 54.61 3ie1 s ARG 128 Cb -0.12 -2.29 0.03 0.00 0.52 0.00 0.00 34.95 33.09 3ie1 s ARG 128 CO 0.03 -0.11 -0.06 -0.51 0.02 0.00 0.00 175.30 174.68 3ie1 s LEU 129 N 1.07 1.11 0.00 2.53 1.43 -0.85 -5.01 118.68 118.95 3ie1 s LEU 129 Ca -0.02 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3ie1 s LEU 129 Cb -0.14 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.30 3ie1 s LEU 129 CO -0.06 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.00 3ie1 n GLY 130 N 4.97 3.08 0.92 -3.19 0.00 -1.26 -0.68 105.19 109.03 3ie1 n GLY 130 Ca -0.12 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.82 3ie1 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie1 n ALA 131 N 11.67 2.45 -1.91 4.61 0.00 -1.26 -4.96 120.51 131.11 3ie1 n ALA 131 Ca 0.00 -0.75 -0.40 0.00 0.00 0.00 0.00 53.44 52.29 3ie1 n ALA 131 Cb 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 3ie1 n ALA 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ie1 s LEU 132 N -1.72 4.60 -0.13 0.00 2.96 0.14 -4.63 118.68 119.90 3ie1 s LEU 132 Ca 0.28 1.91 0.03 0.00 -0.22 0.00 0.00 54.13 56.13 3ie1 s LEU 132 Cb 0.19 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.28 3ie1 s LEU 132 CO 0.28 0.08 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.73 3ie1 s SER 133 N -0.80 3.13 0.09 3.68 0.01 0.44 -2.01 113.70 118.24 3ie1 s SER 133 Ca 0.43 -0.58 0.09 0.00 1.31 0.00 0.00 55.95 57.20 3ie1 s SER 133 Cb -0.25 -1.44 -0.03 0.00 0.21 0.00 0.00 66.02 64.50 3ie1 s SER 133 CO 0.32 0.11 -0.25 -0.76 0.41 0.00 0.00 173.24 173.06 3ie1 s LEU 134 N 0.66 2.26 -0.11 2.44 1.43 0.24 -0.92 118.68 124.68 3ie1 s LEU 134 Ca -0.11 -0.67 -0.22 0.00 -1.03 0.00 0.00 54.13 52.10 3ie1 s LEU 134 Cb -0.16 -1.13 0.05 0.00 0.03 0.00 0.00 46.19 44.98 3ie1 s LEU 134 CO 0.02 0.17 0.54 0.00 0.23 0.00 0.00 176.35 177.31 3ie1 s ALA 135 N -0.98 -1.38 0.18 4.21 0.00 -0.63 -0.95 121.76 122.21 3ie1 s ALA 135 Ca 0.11 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 53.09 3ie1 s ALA 135 Cb -0.10 -0.36 -0.07 0.00 0.00 0.00 0.00 23.12 22.59 3ie1 s ALA 135 CO 0.04 -0.30 0.63 -0.06 0.00 0.00 0.00 175.76 176.07 3ie1 s PHE 136 N -0.62 3.64 0.18 0.00 0.08 -1.26 -0.73 117.98 119.27 3ie1 s PHE 136 Ca -0.07 1.22 0.10 0.00 0.12 0.00 0.00 56.93 58.30 3ie1 s PHE 136 Cb -0.03 -2.49 -0.04 0.00 -0.57 0.00 0.00 43.02 39.89 3ie1 s PHE 136 CO 0.05 0.40 -0.20 0.20 -0.10 0.00 0.00 175.22 175.56 3ie1 s GLY 137 N -1.65 1.55 -0.20 4.36 0.00 0.07 -3.38 107.32 108.07 3ie1 s GLY 137 Ca 0.39 -1.58 -0.29 0.00 0.00 0.00 0.00 44.72 43.25 3ie1 s GLY 137 CO 0.20 -1.62 1.57 1.62 0.00 0.00 0.00 173.10 174.86 3ie1 s GLN 138 N -2.82 3.88 -0.03 2.90 2.00 -1.26 -1.83 119.66 122.51 3ie1 s GLN 138 Ca 0.19 1.69 0.13 0.00 -2.00 0.00 0.00 55.36 55.36 3ie1 s GLN 138 Cb -0.06 -4.00 -0.20 0.00 0.80 0.00 0.00 33.01 29.55 3ie1 s GLN 138 CO 0.08 -1.18 0.26 0.00 -0.50 0.00 0.00 175.29 173.95 3ie1 n ALA 139 N 8.08 2.41 -3.79 1.58 0.00 -1.20 0.24 120.51 127.83 3ie1 n ALA 139 Ca 0.18 -0.35 -0.24 0.00 0.00 0.00 0.00 53.44 53.02 3ie1 n ALA 139 Cb 0.45 -0.40 0.02 0.00 0.00 0.00 0.00 19.45 19.52 3ie1 n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie1 n GLY 140 N 1.81 -0.34 0.02 0.00 0.00 -1.26 -1.23 105.19 104.19 3ie1 n GLY 140 Ca -0.04 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 3ie1 n GLY 140 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ie1 n HIS 141 N -4.40 0.00 -3.76 1.61 -0.00 -1.26 -3.57 115.22 103.83 3ie1 n HIS 141 Ca -0.20 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.42 3ie1 n HIS 141 Cb 0.63 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.99 30.30 3ie1 n HIS 141 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3ie1 s LEU 142 N -4.18 0.15 0.12 0.27 1.43 -1.26 -4.93 118.68 110.28 3ie1 s LEU 142 Ca -0.03 -0.52 -0.31 0.00 -1.03 0.00 0.00 54.13 52.24 3ie1 s LEU 142 Cb 0.03 2.06 -0.10 0.00 0.03 0.00 0.00 46.19 48.22 3ie1 s LEU 142 CO 0.30 -1.04 1.70 -2.84 0.23 0.00 0.00 176.35 174.70 3ie1 s PRO 143 N -3.88 4.17 -0.32 1.29 0.02 -1.26 -1.70 135.00 133.32 3ie1 s PRO 143 Ca 0.10 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3ie1 s PRO 143 Cb -0.01 -3.46 0.00 0.00 0.02 0.00 0.00 34.50 31.05 3ie1 s PRO 143 CO -0.02 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 3ie1 n GLY 144 N 4.03 0.61 3.81 0.52 0.00 -1.26 -4.30 105.19 108.59 3ie1 n GLY 144 Ca 0.16 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 3ie1 n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ie1 s SER 145 N -2.60 6.75 0.22 1.61 1.04 -0.69 -4.53 113.70 115.50 3ie1 s SER 145 Ca 0.00 1.79 -0.13 0.00 0.48 0.00 0.00 55.95 58.10 3ie1 s SER 145 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 3ie1 s SER 145 CO 0.00 -0.49 0.44 0.00 0.98 0.00 0.00 173.24 174.17 3ie1 s ALA 146 N -2.06 -0.31 0.13 5.32 0.00 -0.39 -3.27 121.76 121.18 3ie1 s ALA 146 Ca 0.63 -0.76 0.08 0.00 0.00 0.00 0.00 51.96 51.90 3ie1 s ALA 146 Cb -0.13 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 3ie1 s ALA 146 CO 0.17 -0.80 -0.10 -0.59 0.00 0.00 0.00 175.76 174.44 3ie1 s PHE 147 N -3.98 2.71 -0.08 0.00 -0.71 -0.76 -4.60 117.98 110.57 3ie1 s PHE 147 Ca 0.19 -0.18 -0.09 0.00 -1.04 0.00 0.00 56.93 55.81 3ie1 s PHE 147 Cb 0.00 -1.39 -0.05 0.00 -1.21 0.00 0.00 43.02 40.38 3ie1 s PHE 147 CO 0.05 0.45 0.23 0.08 -1.34 0.00 0.00 175.22 174.68 3ie1 s VAL 148 N -1.35 5.36 -0.29 -2.49 1.01 0.36 -0.75 120.40 122.24 3ie1 s VAL 148 Ca 0.22 0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 3ie1 s VAL 148 Cb -0.10 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.83 3ie1 s VAL 148 CO 0.14 0.59 -0.02 -0.69 0.00 0.00 0.00 175.10 175.12 3ie1 s VAL 149 N -1.06 2.82 -0.23 2.92 1.01 0.09 -1.36 120.40 124.60 3ie1 s VAL 149 Ca 0.18 -1.44 -0.07 0.00 0.00 0.00 0.00 61.98 60.65 3ie1 s VAL 149 Cb -0.13 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3ie1 s VAL 149 CO 0.08 -0.10 0.06 0.00 0.00 0.00 0.00 175.10 175.14 3ie1 s ALA 150 N 1.22 3.23 -0.04 5.51 0.00 0.28 -1.60 121.76 130.36 3ie1 s ALA 150 Ca -0.06 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.92 3ie1 s ALA 150 Cb -0.20 -2.01 0.02 0.00 0.00 0.00 0.00 23.12 20.92 3ie1 s ALA 150 CO -0.02 -0.26 -0.07 -1.14 0.00 0.00 0.00 175.76 174.27 3ie1 s GLN 151 N 1.19 0.99 0.00 0.00 -0.44 -0.09 -0.24 119.66 121.07 3ie1 s GLN 151 Ca 0.04 -0.21 0.00 0.00 -2.50 0.00 0.00 55.36 52.70 3ie1 s GLN 151 Cb -0.14 -0.93 0.00 0.00 -1.64 0.00 0.00 33.01 30.30 3ie1 s GLN 151 CO 0.03 -0.01 0.00 0.41 0.50 0.00 0.00 175.29 176.23 3ie1 n GLY 152 N 3.77 1.54 3.42 2.59 0.00 -0.61 -0.42 105.19 115.48 3ie1 n GLY 152 Ca -0.23 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 3ie1 n GLY 152 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ie1 n GLU 153 N -0.43 -5.45 -0.72 1.61 1.02 -1.26 -0.98 120.64 114.41 3ie1 n GLU 153 Ca 0.00 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 3ie1 n GLU 153 Cb 0.00 -5.63 0.00 0.00 -0.02 0.00 0.00 31.44 25.79 3ie1 n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ie1 n GLY 154 N -1.61 0.09 3.78 0.62 0.00 -1.26 -4.95 105.19 101.86 3ie1 n GLY 154 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 3ie1 n GLY 154 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie1 s ARG 155 N -1.23 2.45 -0.06 1.61 1.81 -0.16 -5.10 118.95 118.27 3ie1 s ARG 155 Ca 0.00 -1.52 -0.01 0.00 -1.72 0.00 0.00 55.73 52.48 3ie1 s ARG 155 Cb 0.00 -2.24 0.03 0.00 -0.45 0.00 0.00 34.95 32.28 3ie1 s ARG 155 CO 0.00 0.05 0.00 0.99 -0.68 0.00 0.00 175.30 175.66 3ie1 s THR 156 N -2.42 0.35 -0.03 0.02 2.01 -1.26 -1.58 115.64 112.73 3ie1 s THR 156 Ca 0.40 0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.58 3ie1 s THR 156 Cb -0.03 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 3ie1 s THR 156 CO 0.24 0.25 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.96 3ie1 s LEU 157 N 1.83 2.17 -0.10 4.42 2.96 0.66 0.34 118.68 130.96 3ie1 s LEU 157 Ca 0.03 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3ie1 s LEU 157 Cb -0.12 -1.38 0.01 0.00 0.50 0.00 0.00 46.19 45.19 3ie1 s LEU 157 CO -0.04 0.31 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.43 3ie1 s VAL 158 N -0.54 1.63 -0.34 1.68 1.01 0.19 -0.56 120.40 123.47 3ie1 s VAL 158 Ca 0.08 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 3ie1 s VAL 158 Cb -0.11 -1.46 0.06 0.00 0.00 0.00 0.00 36.38 34.88 3ie1 s VAL 158 CO 0.00 0.47 0.09 -0.47 0.00 0.00 0.00 175.10 175.19 3ie1 s TYR 159 N 0.73 3.34 0.57 5.22 6.04 -0.46 0.21 117.35 133.01 3ie1 s TYR 159 Ca -0.11 -1.87 0.41 0.00 0.04 0.00 0.00 57.07 55.53 3ie1 s TYR 159 Cb -0.16 -2.47 2.23 0.00 -1.04 0.00 0.00 41.96 40.52 3ie1 s TYR 159 CO 0.02 -0.83 2.25 0.66 -1.54 0.00 0.00 175.55 176.12 3ie1 h SER 160 N 8.09 0.00 0.00 4.32 4.64 -1.48 0.10 113.55 129.22 3ie1 h SER 160 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3ie1 h SER 160 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3ie1 h SER 160 CO 0.60 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 3ie1 n GLY 161 N -1.12 3.36 3.43 -0.77 0.00 -1.26 -4.27 105.19 104.55 3ie1 n GLY 161 Ca -0.03 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3ie1 n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ie1 s ASP 162 N -4.00 4.03 -0.01 1.61 -0.00 -1.26 -4.34 116.67 112.70 3ie1 s ASP 162 Ca 0.00 -0.26 -0.01 0.00 -0.00 0.00 0.00 52.55 52.28 3ie1 s ASP 162 Cb 0.00 -1.23 -0.04 0.00 -0.00 0.00 0.00 42.92 41.65 3ie1 s ASP 162 CO 0.00 0.26 0.11 -0.76 -0.00 0.00 0.00 175.17 174.78 3ie1 s LEU 163 N -0.20 4.04 0.67 1.23 1.02 -1.26 -4.58 118.68 119.60 3ie1 s LEU 163 Ca 0.00 0.21 -0.05 0.00 0.02 0.00 0.00 54.13 54.31 3ie1 s LEU 163 Cb -0.13 -2.36 0.05 0.00 0.02 0.00 0.00 46.19 43.76 3ie1 s LEU 163 CO 0.03 0.27 0.96 -0.83 0.02 0.00 0.00 176.35 176.80 3ie1 s GLY 164 N -1.78 1.70 -0.82 -3.19 0.00 -0.37 -1.89 107.32 100.97 3ie1 s GLY 164 Ca 0.24 -0.98 -0.18 0.00 0.00 0.00 0.00 44.72 43.80 3ie1 s GLY 164 CO 0.15 -0.60 0.97 0.21 0.00 0.00 0.00 173.10 173.82 3ie1 s ASN 165 N -4.48 6.53 0.53 1.64 3.04 -1.24 -3.52 114.94 117.43 3ie1 s ASN 165 Ca 0.59 -1.95 0.23 0.00 0.04 0.00 0.00 52.86 51.77 3ie1 s ASN 165 Cb -0.11 -2.35 1.25 0.00 -1.54 0.00 0.00 41.25 38.50 3ie1 s ASN 165 CO 0.44 -1.02 1.67 0.08 -3.04 0.00 0.00 177.10 175.22 3ie1 h ARG 166 N 8.77 0.00 -0.15 0.43 0.11 -1.92 -2.53 114.38 119.10 3ie1 h ARG 166 Ca 0.02 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.05 3ie1 h ARG 166 Cb 1.04 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.11 3ie1 h ARG 166 CO 1.05 0.00 -0.14 0.93 0.10 0.00 0.00 179.97 181.90 3ie1 h GLU 167 N 0.00 0.23 0.00 0.08 5.08 -1.97 -3.45 114.58 114.55 3ie1 h GLU 167 Ca 0.00 -0.05 -0.39 0.00 -1.00 0.00 0.00 59.36 57.91 3ie1 h GLU 167 Cb 0.66 -0.03 0.20 0.00 0.50 0.00 0.00 28.75 30.08 3ie1 h GLU 167 CO 0.00 0.38 0.08 1.63 -1.00 0.00 0.00 179.01 180.10 3ie1 n LYS 168 N -4.26 -3.38 -0.01 2.33 5.02 -0.96 -4.82 118.16 112.08 3ie1 n LYS 168 Ca -0.01 -1.71 0.02 0.00 -2.02 0.00 0.00 58.31 54.59 3ie1 n LYS 168 Cb 0.28 -1.67 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 3ie1 n LYS 168 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3ie1 n ASP 169 N -5.00 3.58 -0.02 4.39 10.43 -1.26 -4.84 116.55 123.82 3ie1 n ASP 169 Ca 0.15 0.00 -0.13 0.00 2.57 0.00 0.00 54.79 57.38 3ie1 n ASP 169 Cb 0.59 1.12 -0.08 0.00 1.84 0.00 0.00 41.12 44.59 3ie1 n ASP 169 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3ie1 h VAL 170 N 0.00 1.32 -3.06 2.53 2.07 -1.97 -3.42 116.25 113.72 3ie1 h VAL 170 Ca -0.04 -1.00 -0.49 0.00 0.82 0.00 0.00 66.70 66.00 3ie1 h VAL 170 Cb 0.56 1.87 0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3ie1 h VAL 170 CO 0.00 0.27 -0.11 -0.76 0.02 0.00 0.00 177.57 177.00 3ie1 s LEU 171 N -9.36 3.92 0.76 2.57 1.02 -1.26 -0.86 118.68 115.47 3ie1 s LEU 171 Ca -0.15 0.61 -0.12 0.00 0.02 0.00 0.00 54.13 54.50 3ie1 s LEU 171 Cb 0.03 -3.49 0.05 0.00 0.02 0.00 0.00 46.19 42.80 3ie1 s LEU 171 CO 0.69 -0.35 1.10 -2.16 0.02 0.00 0.00 176.35 175.66 3ie1 s PRO 172 N -4.31 2.38 0.48 1.29 0.04 -1.26 -4.37 135.00 129.25 3ie1 s PRO 172 Ca 0.42 0.52 -0.24 0.00 0.04 0.00 0.00 61.00 61.75 3ie1 s PRO 172 Cb -0.10 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 3ie1 s PRO 172 CO 0.37 -1.39 1.40 -0.25 0.04 0.00 0.00 177.00 177.18 3ie1 n ASP 173 N -3.25 3.08 -4.78 6.66 8.00 -1.26 -4.30 116.55 120.69 3ie1 n ASP 173 Ca 0.07 1.07 -0.32 0.00 0.71 0.00 0.00 54.79 56.32 3ie1 n ASP 173 Cb 0.57 -1.59 0.06 0.00 -0.02 0.00 0.00 41.12 40.14 3ie1 n ASP 173 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3ie1 s PRO 174 N -2.59 2.60 0.27 -0.24 0.02 -1.26 -4.55 135.00 129.26 3ie1 s PRO 174 Ca 0.65 1.24 -0.02 0.00 0.02 0.00 0.00 61.00 62.88 3ie1 s PRO 174 Cb -0.44 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.10 3ie1 s PRO 174 CO 0.55 -1.38 0.50 0.45 -0.33 0.00 0.00 177.00 176.78 3ie1 s SER 175 N -3.06 6.39 0.39 2.53 0.15 0.67 -4.93 113.70 115.84 3ie1 s SER 175 Ca 0.63 0.55 -0.25 0.00 0.70 0.00 0.00 55.95 57.58 3ie1 s SER 175 Cb -0.18 -2.07 -0.09 0.00 -1.71 0.00 0.00 66.02 61.97 3ie1 s SER 175 CO 0.49 -0.17 1.08 -0.76 1.20 0.00 0.00 173.24 175.08 3ie1 s LEU 176 N -3.65 4.18 0.71 3.45 1.43 -1.26 -4.89 118.68 118.65 3ie1 s LEU 176 Ca 0.41 2.13 -0.11 0.00 -1.03 0.00 0.00 54.13 55.53 3ie1 s LEU 176 Cb -0.11 -4.10 0.02 0.00 0.03 0.00 0.00 46.19 42.03 3ie1 s LEU 176 CO 0.31 -0.52 1.09 -2.16 0.23 0.00 0.00 176.35 175.30 3ie1 s PRO 177 N -2.37 2.80 0.63 1.29 0.04 -1.26 -5.00 135.00 131.12 3ie1 s PRO 177 Ca 0.57 0.51 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 3ie1 s PRO 177 Cb -0.25 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 3ie1 s PRO 177 CO 0.31 -1.09 1.03 -1.25 0.04 0.00 0.00 177.00 176.04 3ie1 s PRO 178 N -5.32 3.47 0.11 0.56 0.04 -1.26 -4.97 135.00 127.63 3ie1 s PRO 178 Ca 0.58 0.67 -0.31 0.00 0.04 0.00 0.00 61.00 61.98 3ie1 s PRO 178 Cb -0.11 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 3ie1 s PRO 178 CO 0.52 -0.62 1.65 -1.17 0.04 0.00 0.00 177.00 177.42 3ie1 s LEU 179 N -5.18 4.37 0.17 -3.56 2.96 -1.26 -4.98 118.68 111.20 3ie1 s LEU 179 Ca 0.55 2.56 0.03 0.00 -0.22 0.00 0.00 54.13 57.05 3ie1 s LEU 179 Cb -0.11 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 3ie1 s LEU 179 CO 0.53 -0.88 -0.04 0.00 -1.32 0.00 0.00 176.35 174.64 3ie1 s ALA 180 N 2.19 1.46 0.14 5.97 0.00 -1.26 -4.97 121.76 125.28 3ie1 s ALA 180 Ca 0.74 -1.58 0.13 0.00 0.00 0.00 0.00 51.96 51.24 3ie1 s ALA 180 Cb -0.42 0.35 0.27 0.00 0.00 0.00 0.00 23.12 23.33 3ie1 s ALA 180 CO 0.32 -0.23 1.55 -0.44 0.00 0.00 0.00 175.76 176.96 3ie1 h ASP 181 N 2.69 0.00 -3.88 0.00 3.45 -0.50 -3.40 116.42 114.78 3ie1 h ASP 181 Ca -0.37 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 56.96 3ie1 h ASP 181 Cb 1.20 0.00 -0.24 0.00 -0.56 0.00 0.00 39.33 39.73 3ie1 h ASP 181 CO 0.64 0.62 -0.29 -0.22 -1.57 0.00 0.00 179.24 178.42 3ie1 s LEU 182 N -7.07 0.60 -0.13 1.55 2.96 -0.85 -4.24 118.68 111.49 3ie1 s LEU 182 Ca 0.00 0.73 -0.00 0.00 -0.22 0.00 0.00 54.13 54.65 3ie1 s LEU 182 Cb 0.11 1.26 0.02 0.00 0.50 0.00 0.00 46.19 48.08 3ie1 s LEU 182 CO 0.75 -0.13 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.86 3ie1 s VAL 183 N 0.18 1.26 -0.60 1.68 1.01 -0.97 -0.64 120.40 122.32 3ie1 s VAL 183 Ca -0.00 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 3ie1 s VAL 183 Cb -0.03 -1.23 0.15 0.00 0.00 0.00 0.00 36.38 35.27 3ie1 s VAL 183 CO 0.01 0.40 0.56 -0.22 0.00 0.00 0.00 175.10 175.85 3ie1 s LEU 184 N 1.61 6.30 0.28 3.92 2.96 0.13 -0.58 118.68 133.30 3ie1 s LEU 184 Ca 0.05 -1.97 0.10 0.00 -0.22 0.00 0.00 54.13 52.08 3ie1 s LEU 184 Cb -0.13 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 3ie1 s LEU 184 CO -0.09 -0.80 -0.00 0.00 -1.32 0.00 0.00 176.35 174.13 3ie1 s ALA 185 N 1.32 3.17 0.48 5.97 0.00 -0.69 -1.29 121.76 130.73 3ie1 s ALA 185 Ca 0.06 -1.69 -0.04 0.00 0.00 0.00 0.00 51.96 50.29 3ie1 s ALA 185 Cb -0.26 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 3ie1 s ALA 185 CO 0.01 0.24 0.77 -1.83 0.00 0.00 0.00 175.76 174.95 3ie1 s GLU 186 N -3.68 3.37 -0.30 0.00 4.04 -1.24 -0.33 118.70 120.55 3ie1 s GLU 186 Ca 0.32 0.03 0.18 0.00 0.04 0.00 0.00 54.97 55.54 3ie1 s GLU 186 Cb -0.06 -2.41 0.46 0.00 0.02 0.00 0.00 34.13 32.14 3ie1 s GLU 186 CO 0.20 -0.26 1.32 0.41 -1.84 0.00 0.00 175.26 175.08 3ie1 n GLY 187 N -2.25 1.89 0.30 -3.83 0.00 0.09 -4.87 105.19 96.53 3ie1 n GLY 187 Ca 0.01 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.52 3ie1 n GLY 187 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ie1 h THR 188 N 4.69 0.41 -1.39 2.61 2.02 -1.71 0.27 112.91 119.81 3ie1 h THR 188 Ca -0.29 -0.10 -0.61 0.00 0.77 0.00 0.00 66.41 66.18 3ie1 h THR 188 Cb 1.28 0.09 -0.39 0.00 -1.74 0.00 0.00 68.15 67.38 3ie1 h THR 188 CO 0.01 0.06 -0.41 -1.22 0.37 0.00 0.00 175.52 174.32 3ie1 n TYR 189 N -5.13 3.20 0.30 3.16 4.02 -1.26 -4.76 117.16 116.69 3ie1 n TYR 189 Ca 0.21 -2.81 0.18 0.00 -0.01 0.00 0.00 57.90 55.47 3ie1 n TYR 189 Cb 0.64 -0.36 0.79 0.00 -0.02 0.00 0.00 39.34 40.39 3ie1 n TYR 189 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3ie1 h GLY 190 N 2.52 0.00 1.38 2.72 0.00 -1.13 -1.65 103.07 106.91 3ie1 h GLY 190 Ca 0.37 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.43 3ie1 h GLY 190 CO 0.95 0.00 -1.43 1.29 0.00 0.00 0.00 176.54 177.35 3ie1 h ASP 191 N 0.00 0.09 -5.18 0.19 -0.00 -1.83 -3.24 116.42 106.45 3ie1 h ASP 191 Ca 0.00 -0.14 -0.10 0.00 -0.00 0.00 0.00 57.03 56.80 3ie1 h ASP 191 Cb 0.35 -0.03 -0.14 0.00 -0.00 0.00 0.00 39.33 39.51 3ie1 h ASP 191 CO 0.00 1.11 -0.46 0.00 -0.00 0.00 0.00 179.24 179.90 3ie1 s ARG 192 N -2.64 0.78 0.61 4.15 1.70 -1.17 -4.98 118.95 117.41 3ie1 s ARG 192 Ca -0.04 -1.04 -0.01 0.00 -0.47 0.00 0.00 55.73 54.17 3ie1 s ARG 192 Cb 0.08 0.30 0.05 0.00 -0.57 0.00 0.00 34.95 34.82 3ie1 s ARG 192 CO 0.83 -0.22 0.86 -1.25 -1.08 0.00 0.00 175.30 174.43 3ie1 s PRO 193 N -3.88 2.35 0.37 3.89 0.04 -1.26 -0.82 135.00 135.69 3ie1 s PRO 193 Ca 0.06 -0.68 0.05 0.00 0.04 0.00 0.00 61.00 60.46 3ie1 s PRO 193 Cb 0.06 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 32.20 3ie1 s PRO 193 CO -0.10 -0.93 0.53 -1.01 0.04 0.00 0.00 177.00 175.52 3ie1 s HIS 194 N -2.93 3.14 0.40 0.56 3.76 -1.26 -4.84 115.29 114.13 3ie1 s HIS 194 Ca 0.59 -0.09 -0.25 0.00 -0.15 0.00 0.00 55.06 55.16 3ie1 s HIS 194 Cb -0.10 -2.09 -0.08 0.00 1.11 0.00 0.00 32.58 31.41 3ie1 s HIS 194 CO 0.41 -0.12 1.20 0.50 -0.85 0.00 0.00 174.74 175.88 3ie1 s ARG 195 N -4.29 4.01 0.94 1.40 6.06 -1.26 -4.95 118.95 120.87 3ie1 s ARG 195 Ca 0.46 1.91 -0.12 0.00 -2.50 0.00 0.00 55.73 55.48 3ie1 s ARG 195 Cb -0.10 -2.68 0.06 0.00 0.06 0.00 0.00 34.95 32.29 3ie1 s ARG 195 CO 0.33 -0.38 0.56 -2.30 -2.50 0.00 0.00 175.30 171.01 3ie1 n PRO 196 N 0.06 -0.31 -0.05 5.12 -0.02 -1.26 -4.38 135.00 134.16 3ie1 n PRO 196 Ca 0.04 -0.04 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 3ie1 n PRO 196 Cb 0.46 -1.96 -0.12 0.00 -0.02 0.00 0.00 33.50 31.86 3ie1 n PRO 196 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3ie1 h TYR 197 N -1.61 0.01 -0.64 6.00 -0.00 -1.88 -3.09 116.97 115.77 3ie1 h TYR 197 Ca -0.43 -0.01 0.13 0.00 -0.00 0.00 0.00 58.73 58.42 3ie1 h TYR 197 Cb 1.28 -0.00 -0.12 0.00 -0.00 0.00 0.00 36.73 37.89 3ie1 h TYR 197 CO 0.41 0.80 -0.13 0.00 -0.00 0.00 0.00 178.16 179.24 3ie1 h ARG 198 N -0.79 0.02 0.00 1.82 2.47 -1.92 -0.59 114.38 115.39 3ie1 h ARG 198 Ca -0.00 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3ie1 h ARG 198 Cb 0.81 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.12 3ie1 h ARG 198 CO 0.00 0.01 -0.05 1.05 0.56 0.00 0.00 179.97 181.54 3ie1 h GLU 199 N 0.02 0.00 0.07 0.04 4.11 -1.96 -2.08 114.58 114.78 3ie1 h GLU 199 Ca 0.31 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.50 3ie1 h GLU 199 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3ie1 h GLU 199 CO -0.64 0.05 -1.10 1.15 0.07 0.00 0.00 179.01 178.54 3ie1 h THR 200 N 0.00 1.55 -0.02 -1.06 2.02 -1.05 -2.10 112.91 112.24 3ie1 h THR 200 Ca -0.00 -3.03 -0.00 0.00 0.77 0.00 0.00 66.41 64.15 3ie1 h THR 200 Cb 0.72 2.80 -0.00 0.00 -1.74 0.00 0.00 68.15 69.93 3ie1 h THR 200 CO 0.01 0.88 -0.00 0.58 0.37 0.00 0.00 175.52 177.35 3ie1 h VAL 201 N 0.07 1.27 -0.54 3.16 2.07 -1.13 0.15 116.25 121.30 3ie1 h VAL 201 Ca -0.08 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 66.69 3ie1 h VAL 201 Cb 1.81 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 33.31 3ie1 h VAL 201 CO 0.17 0.22 0.21 0.03 0.02 0.00 0.00 177.57 178.22 3ie1 h ARG 202 N -0.30 0.39 -0.32 1.57 3.08 -1.44 0.31 114.38 117.67 3ie1 h ARG 202 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3ie1 h ARG 202 Cb 0.35 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3ie1 h ARG 202 CO 0.00 0.26 0.18 1.49 -1.07 0.00 0.00 179.97 180.83 3ie1 h GLU 203 N 0.40 0.45 -0.17 0.04 4.81 -1.25 -1.09 114.58 117.78 3ie1 h GLU 203 Ca 0.26 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.49 3ie1 h GLU 203 Cb 0.27 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.50 3ie1 h GLU 203 CO -0.25 0.38 -0.31 0.35 -0.73 0.00 0.00 179.01 178.46 3ie1 h PHE 204 N 0.40 -0.85 -0.69 0.92 -0.00 0.15 -0.71 116.94 116.17 3ie1 h PHE 204 Ca 0.11 0.04 0.08 0.00 -0.00 0.00 0.00 57.97 58.20 3ie1 h PHE 204 Cb 0.06 0.40 -0.07 0.00 -0.00 0.00 0.00 35.95 36.34 3ie1 h PHE 204 CO -0.03 -0.38 0.35 -0.07 -0.00 0.00 0.00 178.31 178.18 3ie1 h LEU 205 N -0.36 0.48 0.03 0.59 3.38 -0.28 -1.44 115.31 117.70 3ie1 h LEU 205 Ca 0.11 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.16 3ie1 h LEU 205 Cb 0.53 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 3ie1 h LEU 205 CO -0.37 0.29 -0.34 -0.33 0.09 0.00 0.00 178.44 177.78 3ie1 h GLU 206 N 0.62 -0.49 -0.45 1.13 5.08 0.15 0.88 114.58 121.49 3ie1 h GLU 206 Ca 0.33 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.84 3ie1 h GLU 206 Cb 0.30 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3ie1 h GLU 206 CO -0.24 -0.33 0.32 0.82 -1.00 0.00 0.00 179.01 178.59 3ie1 h ILE 207 N -0.51 0.80 -0.00 3.13 2.04 -0.64 -2.19 117.51 120.14 3ie1 h ILE 207 Ca 0.05 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3ie1 h ILE 207 Cb 0.58 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3ie1 h ILE 207 CO -0.26 0.01 -0.02 -0.07 0.00 0.00 0.00 178.15 177.81 3ie1 h LEU 208 N 0.06 0.02 -0.86 1.44 3.38 0.13 -2.09 115.31 117.39 3ie1 h LEU 208 Ca 0.22 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3ie1 h LEU 208 Cb 0.79 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3ie1 h LEU 208 CO -0.01 0.70 0.55 -0.33 0.09 0.00 0.00 178.44 179.44 3ie1 h GLU 209 N -0.65 1.14 -0.31 1.13 5.08 -0.52 -0.93 114.58 119.52 3ie1 h GLU 209 Ca -0.00 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 3ie1 h GLU 209 Cb 0.70 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3ie1 h GLU 209 CO 0.00 0.77 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.48 3ie1 h LYS 210 N 1.17 0.60 -0.18 2.33 3.64 -1.48 -2.13 116.57 120.52 3ie1 h LYS 210 Ca 0.31 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 3ie1 h LYS 210 Cb -0.11 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3ie1 h LYS 210 CO -0.06 0.80 -0.15 1.15 -2.27 0.00 0.00 179.45 178.91 3ie1 h THR 211 N 0.36 1.33 -0.19 1.00 2.02 -1.16 -3.10 112.91 113.18 3ie1 h THR 211 Ca 0.08 -1.28 -0.02 0.00 0.77 0.00 0.00 66.41 65.95 3ie1 h THR 211 Cb 0.58 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 3ie1 h THR 211 CO 0.03 0.38 0.02 -0.07 0.37 0.00 0.00 175.52 176.26 3ie1 h LEU 212 N 0.09 0.30 -1.00 2.58 3.38 -1.24 0.33 115.31 119.75 3ie1 h LEU 212 Ca 0.03 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 57.83 3ie1 h LEU 212 Cb 0.67 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 3ie1 h LEU 212 CO 0.04 0.50 0.63 0.28 0.09 0.00 0.00 178.44 179.98 3ie1 h SER 213 N 0.09 0.95 -0.03 -0.43 0.02 -1.46 0.59 113.55 113.28 3ie1 h SER 213 Ca 0.06 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3ie1 h SER 213 Cb 0.33 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3ie1 h SER 213 CO 0.01 0.53 0.00 0.00 -1.14 0.00 0.00 176.83 176.23 3ie1 n GLN 214 N -4.59 1.09 -2.03 3.45 10.64 -1.17 -4.86 117.38 119.91 3ie1 n GLN 214 Ca 0.18 -0.14 -0.10 0.00 -1.83 0.00 0.00 57.00 55.11 3ie1 n GLN 214 Cb 0.31 -1.14 -0.01 0.00 -0.86 0.00 0.00 30.24 28.53 3ie1 n GLN 214 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3ie1 n GLY 215 N 0.67 0.17 0.00 2.61 0.00 0.21 -5.02 105.19 103.84 3ie1 n GLY 215 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3ie1 n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie1 n GLY 216 N -1.15 0.67 3.00 -0.02 0.00 0.12 -3.62 105.19 104.20 3ie1 n GLY 216 Ca -0.11 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 43.89 3ie1 n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie1 s LYS 217 N 1.53 1.12 -0.36 1.61 1.02 -1.26 -2.48 119.74 120.92 3ie1 s LYS 217 Ca 0.00 -0.32 -0.12 0.00 0.02 0.00 0.00 55.97 55.56 3ie1 s LYS 217 Cb 0.00 -1.02 0.01 0.00 -0.52 0.00 0.00 37.83 36.30 3ie1 s LYS 217 CO 0.00 0.08 0.21 0.08 -0.92 0.00 0.00 175.35 174.80 3ie1 s VAL 218 N 0.36 4.78 -0.33 3.17 1.01 -0.19 -0.19 120.40 129.01 3ie1 s VAL 218 Ca -0.06 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 3ie1 s VAL 218 Cb -0.11 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 3ie1 s VAL 218 CO 0.01 -0.15 0.27 -0.76 0.00 0.00 0.00 175.10 174.48 3ie1 s LEU 219 N 1.61 4.42 -0.43 3.92 1.02 -0.02 0.08 118.68 129.29 3ie1 s LEU 219 Ca 0.04 -0.29 0.02 0.00 0.02 0.00 0.00 54.13 53.91 3ie1 s LEU 219 Cb -0.18 -2.20 0.12 0.00 0.02 0.00 0.00 46.19 43.94 3ie1 s LEU 219 CO 0.08 -0.24 0.18 -0.63 0.02 0.00 0.00 176.35 175.75 3ie1 s ILE 220 N 1.82 2.72 0.17 -0.59 1.01 0.10 -1.23 121.20 125.21 3ie1 s ILE 220 Ca 0.08 -2.59 -0.31 0.00 0.00 0.00 0.00 60.65 57.83 3ie1 s ILE 220 Cb -0.17 -2.92 -0.09 0.00 0.01 0.00 0.00 42.46 39.30 3ie1 s ILE 220 CO 0.11 -0.70 1.36 -2.16 0.00 0.00 0.00 174.94 173.55 3ie1 s PRO 221 N 0.55 4.35 0.07 2.79 0.04 -1.26 -2.53 135.00 139.01 3ie1 s PRO 221 Ca 0.13 2.09 -0.08 0.00 0.04 0.00 0.00 61.00 63.18 3ie1 s PRO 221 Cb -0.22 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.11 3ie1 s PRO 221 CO -0.05 -0.35 0.16 0.95 0.04 0.00 0.00 177.00 177.75 3ie1 s THR 222 N 0.54 0.14 0.39 1.26 -4.23 0.33 -4.46 115.64 109.61 3ie1 s THR 222 Ca 0.60 -1.16 -0.23 0.00 -1.18 0.00 0.00 61.69 59.72 3ie1 s THR 222 Cb -0.37 -1.22 -0.10 0.00 1.34 0.00 0.00 72.50 72.15 3ie1 s THR 222 CO 0.35 -0.64 0.98 -0.36 -0.54 0.00 0.00 174.62 174.40 3ie1 s PHE 223 N -3.46 3.42 -0.68 3.99 2.99 -1.26 -2.61 117.98 120.37 3ie1 s PHE 223 Ca 0.02 1.68 0.25 0.00 0.00 0.00 0.00 56.93 58.88 3ie1 s PHE 223 Cb 0.03 -2.95 0.90 0.00 0.00 0.00 0.00 43.02 41.00 3ie1 s PHE 223 CO -0.09 -0.16 1.75 0.00 -0.00 0.00 0.00 175.22 176.72 3ie1 n ALA 224 N -0.11 2.04 -1.42 5.36 0.00 -1.26 -1.80 120.51 123.32 3ie1 n ALA 224 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3ie1 n ALA 224 Cb 0.51 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3ie1 n ALA 224 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ie1 n VAL 225 N -2.15 0.00 -0.01 0.00 0.31 -1.26 -4.28 118.33 110.93 3ie1 n VAL 225 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.28 3ie1 n VAL 225 Cb 0.34 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.23 3ie1 n VAL 225 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3ie1 h GLU 226 N 0.00 0.07 -0.54 5.55 4.22 -1.92 -3.28 114.58 118.67 3ie1 h GLU 226 Ca 0.00 -0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.50 3ie1 h GLU 226 Cb 0.00 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.14 3ie1 h GLU 226 CO 0.00 0.04 -0.53 -0.09 -2.18 0.00 0.00 179.01 176.25 3ie1 h ARG 227 N 0.07 -0.29 -0.37 1.92 9.65 -1.89 -1.78 114.38 121.68 3ie1 h ARG 227 Ca 0.06 0.02 0.07 0.00 -1.10 0.00 0.00 59.98 59.03 3ie1 h ARG 227 Cb 0.06 0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 28.62 3ie1 h ARG 227 CO -0.09 -0.19 -0.42 0.00 2.80 0.00 0.00 179.97 182.07 3ie1 h ALA 228 N 0.22 -0.43 0.00 2.80 0.00 -1.41 -0.68 119.26 119.75 3ie1 h ALA 228 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ie1 h ALA 228 Cb 0.56 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3ie1 h ALA 228 CO -0.67 -0.86 0.00 -0.56 0.00 0.00 0.00 179.25 177.16 3ie1 h GLN 229 N -0.34 0.00 0.03 0.00 -0.00 -1.64 -2.81 115.11 110.36 3ie1 h GLN 229 Ca 0.13 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.56 3ie1 h GLN 229 Cb 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.04 3ie1 h GLN 229 CO -0.55 0.00 -1.05 1.49 -0.00 0.00 0.00 178.83 178.72 3ie1 h GLU 230 N 0.00 0.08 -0.48 0.06 4.81 -0.24 -2.16 114.58 116.66 3ie1 h GLU 230 Ca 0.00 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 3ie1 h GLU 230 Cb 0.42 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3ie1 h GLU 230 CO 0.00 1.05 -0.06 0.82 -0.73 0.00 0.00 179.01 180.09 3ie1 h ILE 231 N 0.03 1.27 -0.16 2.32 1.08 -1.20 -2.15 117.51 118.69 3ie1 h ILE 231 Ca -0.04 -1.16 -0.01 0.00 -0.39 0.00 0.00 64.86 63.25 3ie1 h ILE 231 Cb 1.80 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 36.59 3ie1 h ILE 231 CO 0.15 0.40 0.04 -0.07 -0.69 0.00 0.00 178.15 177.99 3ie1 h LEU 232 N 0.73 0.19 -1.07 1.44 3.38 -1.40 -1.44 115.31 117.16 3ie1 h LEU 232 Ca 0.13 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3ie1 h LEU 232 Cb 0.59 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3ie1 h LEU 232 CO 0.04 0.20 0.14 0.22 0.09 0.00 0.00 178.44 179.13 3ie1 h TYR 233 N 0.22 0.83 -0.07 1.13 3.20 -0.71 0.08 116.97 121.65 3ie1 h TYR 233 Ca 0.06 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3ie1 h TYR 233 Cb 0.08 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 3ie1 h TYR 233 CO 0.00 0.69 -0.06 0.28 -1.64 0.00 0.00 178.16 177.43 3ie1 h VAL 234 N 0.78 1.37 -0.60 1.81 2.07 -1.16 -1.75 116.25 118.78 3ie1 h VAL 234 Ca 0.18 -1.22 0.10 0.00 0.82 0.00 0.00 66.70 66.58 3ie1 h VAL 234 Cb 0.27 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 3ie1 h VAL 234 CO -0.00 0.34 0.40 -0.07 0.02 0.00 0.00 177.57 178.25 3ie1 h LEU 235 N -0.28 0.36 -0.29 2.57 3.38 -1.02 -0.77 115.31 119.26 3ie1 h LEU 235 Ca 0.01 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 3ie1 h LEU 235 Cb 0.57 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3ie1 h LEU 235 CO 0.02 0.21 -0.73 0.22 0.09 0.00 0.00 178.44 178.25 3ie1 h TYR 236 N 0.40 0.86 -0.21 1.13 3.20 -0.74 0.33 116.97 121.94 3ie1 h TYR 236 Ca 0.28 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3ie1 h TYR 236 Cb 0.56 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.69 3ie1 h TYR 236 CO -0.00 1.17 0.00 0.25 -1.64 0.00 0.00 178.16 177.93 3ie1 n THR 237 N -3.91 0.26 -0.65 1.81 -2.24 -0.68 -3.96 114.28 104.92 3ie1 n THR 237 Ca -0.06 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3ie1 n THR 237 Cb 0.71 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 3ie1 n THR 237 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ie1 n HIS 238 N 0.66 0.00 -0.03 4.78 8.25 -0.38 -4.81 115.22 123.69 3ie1 n HIS 238 Ca 0.17 -0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.84 3ie1 n HIS 238 Cb 0.41 -0.00 0.69 0.00 1.12 0.00 0.00 29.99 32.21 3ie1 n HIS 238 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3ie1 h GLY 239 N 0.00 0.03 0.97 -1.41 0.00 -1.05 -2.01 103.07 99.60 3ie1 h GLY 239 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.37 3ie1 h GLY 239 CO 0.00 0.00 0.57 1.12 0.00 0.00 0.00 176.54 178.23 3ie1 h HIS 240 N 0.02 1.02 -0.20 5.60 2.07 -1.86 -1.46 115.15 120.34 3ie1 h HIS 240 Ca 0.28 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.82 3ie1 h HIS 240 Cb 1.10 -0.34 0.00 0.00 2.57 0.00 0.00 27.41 30.74 3ie1 h HIS 240 CO -0.00 0.57 0.00 2.89 -3.07 0.00 0.00 177.93 178.32 3ie1 n ARG 241 N -4.46 2.30 -3.77 5.12 -4.01 -0.78 -4.93 116.66 106.12 3ie1 n ARG 241 Ca 0.12 -1.93 -0.36 0.00 -1.04 0.00 0.00 57.85 54.65 3ie1 n ARG 241 Cb 0.15 -1.48 -0.06 0.00 -3.04 0.00 0.00 32.46 28.03 3ie1 n ARG 241 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 3ie1 s LEU 242 N -1.74 4.39 0.50 2.89 1.43 -0.55 -5.02 118.68 120.57 3ie1 s LEU 242 Ca 0.34 0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 53.78 3ie1 s LEU 242 Cb 0.21 -2.48 -0.06 0.00 0.03 0.00 0.00 46.19 43.89 3ie1 s LEU 242 CO 0.31 0.31 1.32 -2.16 0.23 0.00 0.00 176.35 176.36 3ie1 s PRO 243 N -1.46 3.44 0.02 1.29 0.04 -1.26 -4.91 135.00 132.16 3ie1 s PRO 243 Ca 0.23 2.16 -0.30 0.00 0.04 0.00 0.00 61.00 63.13 3ie1 s PRO 243 Cb -0.13 -2.40 -0.08 0.00 0.04 0.00 0.00 34.50 31.93 3ie1 s PRO 243 CO 0.12 -0.92 1.80 1.03 0.04 0.00 0.00 177.00 179.07 3ie1 s ARG 244 N -2.72 4.16 -0.08 4.56 1.81 -1.26 -4.99 118.95 120.44 3ie1 s ARG 244 Ca 0.67 2.42 -0.30 0.00 -1.72 0.00 0.00 55.73 56.80 3ie1 s ARG 244 Cb -0.38 -3.97 0.10 0.00 -0.45 0.00 0.00 34.95 30.25 3ie1 s ARG 244 CO 0.46 -0.87 0.83 0.00 -0.68 0.00 0.00 175.30 175.04 3ie1 s ALA 245 N 3.89 -1.83 0.45 2.13 0.00 -1.26 -4.95 121.76 120.19 3ie1 s ALA 245 Ca 0.80 1.35 -0.23 0.00 0.00 0.00 0.00 51.96 53.88 3ie1 s ALA 245 Cb -0.39 -0.20 -0.07 0.00 0.00 0.00 0.00 23.12 22.45 3ie1 s ALA 245 CO 0.36 -0.40 1.21 -1.25 0.00 0.00 0.00 175.76 175.67 3ie1 s PRO 246 N -1.53 3.75 -0.52 0.00 0.04 -1.26 -4.78 135.00 130.69 3ie1 s PRO 246 Ca -0.05 1.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 3ie1 s PRO 246 Cb -0.00 -2.47 0.14 0.00 0.04 0.00 0.00 34.50 32.20 3ie1 s PRO 246 CO 0.03 -0.59 0.31 0.42 0.04 0.00 0.00 177.00 177.21 3ie1 s ILE 247 N -1.46 3.28 -0.36 0.56 1.01 -0.44 -2.26 121.20 121.52 3ie1 s ILE 247 Ca 0.63 -2.72 -0.25 0.00 0.00 0.00 0.00 60.65 58.30 3ie1 s ILE 247 Cb -0.32 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 38.96 3ie1 s ILE 247 CO 0.39 -0.79 0.90 -0.31 0.00 0.00 0.00 174.94 175.12 3ie1 s TYR 248 N 0.31 3.09 -1.18 3.97 1.51 0.20 -1.09 117.35 124.16 3ie1 s TYR 248 Ca 0.14 0.74 -0.11 0.00 -1.01 0.00 0.00 57.07 56.84 3ie1 s TYR 248 Cb -0.22 -3.58 0.22 0.00 -0.11 0.00 0.00 41.96 38.27 3ie1 s TYR 248 CO -0.03 -0.80 1.39 -0.11 -1.11 0.00 0.00 175.55 174.89 3ie1 n LEU 249 N 6.68 5.62 -3.48 -1.29 7.94 -0.10 -0.10 117.00 132.26 3ie1 n LEU 249 Ca 0.06 -4.76 -0.39 0.00 -1.11 0.00 0.00 56.01 49.81 3ie1 n LEU 249 Cb 0.48 -1.52 -0.02 0.00 0.53 0.00 0.00 43.42 42.89 3ie1 n LEU 249 CO 0.57 1.11 3.01 -0.67 -1.11 0.00 0.00 177.39 180.30 3ie1 n ASP 250 N 3.99 6.33 -3.15 1.96 2.03 0.11 -2.92 116.55 124.90 3ie1 n ASP 250 Ca 0.32 -2.67 0.04 0.00 0.52 0.00 0.00 54.79 53.00 3ie1 n ASP 250 Cb 0.40 -1.55 -0.01 0.00 -0.72 0.00 0.00 41.12 39.23 3ie1 n ASP 250 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3ie1 s SER 251 N 2.78 -1.41 0.16 1.67 0.15 -1.26 -4.51 113.70 111.28 3ie1 s SER 251 Ca 0.58 0.68 -0.16 0.00 0.70 0.00 0.00 55.95 57.76 3ie1 s SER 251 Cb 0.16 2.11 0.09 0.00 -1.71 0.00 0.00 66.02 66.67 3ie1 s SER 251 CO -0.06 -0.27 1.73 -0.65 1.20 0.00 0.00 173.24 175.19 3ie1 h PRO 252 N 8.00 0.20 -0.58 5.44 0.11 -1.84 -1.87 132.00 141.46 3ie1 h PRO 252 Ca -0.17 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.04 3ie1 h PRO 252 Cb 1.17 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.14 3ie1 h PRO 252 CO 0.23 0.13 0.03 1.98 -0.21 0.00 0.00 178.00 180.17 3ie1 h MET 253 N 0.21 0.15 -0.16 1.05 4.05 -1.97 0.55 114.93 118.81 3ie1 h MET 253 Ca 0.18 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.62 3ie1 h MET 253 Cb 0.21 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 3ie1 h MET 253 CO -0.23 0.10 0.11 0.00 0.23 0.00 0.00 176.91 177.12 3ie1 h ALA 254 N 1.51 2.07 0.61 0.39 0.00 -1.55 -0.42 119.26 121.88 3ie1 h ALA 254 Ca 0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3ie1 h ALA 254 Cb 0.48 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3ie1 h ALA 254 CO -0.47 -0.10 -0.29 0.78 0.00 0.00 0.00 179.25 179.16 3ie1 h GLY 255 N 0.07 -0.86 -0.31 0.00 0.00 0.69 0.22 103.07 102.88 3ie1 h GLY 255 Ca 0.07 0.32 0.18 0.00 0.00 0.00 0.00 47.33 47.90 3ie1 h GLY 255 CO -0.01 -0.31 0.07 3.21 0.00 0.00 0.00 176.54 179.50 3ie1 h ARG 256 N -1.21 0.14 -0.26 4.80 3.08 -0.50 0.95 114.38 121.40 3ie1 h ARG 256 Ca -0.08 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3ie1 h ARG 256 Cb 0.63 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3ie1 h ARG 256 CO 0.14 0.09 0.12 0.28 -1.07 0.00 0.00 179.97 179.53 3ie1 h VAL 257 N 0.15 1.15 -0.75 2.04 2.07 -1.07 -2.33 116.25 117.51 3ie1 h VAL 257 Ca 0.43 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3ie1 h VAL 257 Cb 0.77 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 3ie1 h VAL 257 CO -0.63 0.15 0.48 0.25 0.02 0.00 0.00 177.57 177.84 3ie1 h LEU 258 N 0.28 0.88 -1.74 2.57 5.85 0.32 -1.77 115.31 121.70 3ie1 h LEU 258 Ca 0.09 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3ie1 h LEU 258 Cb 0.14 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3ie1 h LEU 258 CO -0.01 0.66 0.32 0.28 -0.34 0.00 0.00 178.44 179.35 3ie1 h SER 259 N 1.02 0.28 1.52 1.25 0.02 0.86 -1.88 113.55 116.62 3ie1 h SER 259 Ca 0.27 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 3ie1 h SER 259 Cb -0.08 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3ie1 h SER 259 CO -0.06 0.18 -0.21 0.25 -1.14 0.00 0.00 176.83 175.85 3ie1 h LEU 260 N 0.31 0.00 -1.76 5.07 5.85 -0.77 -3.36 115.31 120.65 3ie1 h LEU 260 Ca 0.22 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3ie1 h LEU 260 Cb 0.45 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3ie1 h LEU 260 CO -0.05 0.21 0.21 1.88 -0.34 0.00 0.00 178.44 180.35 3ie1 h TYR 261 N 0.00 0.31 0.00 1.25 0.99 -0.97 -2.49 116.97 116.06 3ie1 h TYR 261 Ca -0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3ie1 h TYR 261 Cb 1.03 -0.10 0.00 0.00 1.00 0.00 0.00 36.73 38.66 3ie1 h TYR 261 CO 0.00 0.18 0.00 -1.35 -0.00 0.00 0.00 178.16 176.99 3ie1 h PRO 262 N 0.32 0.00 -0.00 4.88 0.11 -1.76 -1.47 132.00 134.08 3ie1 h PRO 262 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3ie1 h PRO 262 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 3ie1 h PRO 262 CO -0.03 0.00 -0.32 0.54 -0.21 0.00 0.00 178.00 177.98 3ie1 n ARG 263 N -2.50 0.52 -0.06 1.05 1.74 -0.94 -3.98 116.66 112.49 3ie1 n ARG 263 Ca 0.01 -0.29 0.04 0.00 -0.77 0.00 0.00 57.85 56.84 3ie1 n ARG 263 Cb 0.19 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.21 3ie1 n ARG 263 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ie1 n LEU 264 N -0.99 2.30 -0.33 0.55 4.32 -0.57 -4.81 117.00 117.46 3ie1 n LEU 264 Ca 0.10 -2.40 0.28 0.00 -0.02 0.00 0.00 56.01 53.97 3ie1 n LEU 264 Cb 0.34 -0.18 0.53 0.00 -1.62 0.00 0.00 43.42 42.48 3ie1 n LEU 264 CO 0.29 0.60 1.10 1.62 -1.22 0.00 0.00 177.39 179.77 3ie1 h VAL 265 N 0.28 0.17 0.00 4.08 3.04 -1.66 0.59 116.25 122.75 3ie1 h VAL 265 Ca 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 3ie1 h VAL 265 Cb 0.73 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.98 3ie1 h VAL 265 CO 0.01 0.03 0.00 0.08 -1.01 0.00 0.00 177.57 176.68 3ie1 h ARG 266 N 0.18 0.00 -0.15 4.17 0.11 -1.92 -2.10 114.38 114.67 3ie1 h ARG 266 Ca 0.79 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.87 3ie1 h ARG 266 Cb 1.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.04 3ie1 h ARG 266 CO -0.66 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.07 3ie1 n TYR 267 N -2.42 0.19 -3.54 4.08 4.01 0.21 -4.92 117.16 114.76 3ie1 n TYR 267 Ca -0.00 -0.09 -0.17 0.00 -0.16 0.00 0.00 57.90 57.48 3ie1 n TYR 267 Cb 0.13 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.17 3ie1 n TYR 267 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3ie1 n PHE 268 N 0.14 -1.37 -1.30 -0.72 3.72 -0.79 -4.30 117.46 112.83 3ie1 n PHE 268 Ca 0.15 -1.57 -0.31 0.00 -0.05 0.00 0.00 57.45 55.67 3ie1 n PHE 268 Cb 0.28 -0.33 0.09 0.00 -0.94 0.00 0.00 39.48 38.58 3ie1 n PHE 268 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3ie1 s SER 269 N -3.32 4.46 0.36 4.37 1.04 -0.04 -4.45 113.70 116.11 3ie1 s SER 269 Ca 0.28 1.90 0.05 0.00 0.48 0.00 0.00 55.95 58.67 3ie1 s SER 269 Cb -0.02 -2.53 0.72 0.00 0.10 0.00 0.00 66.02 64.28 3ie1 s SER 269 CO 0.18 -2.06 1.95 -0.33 0.98 0.00 0.00 173.24 173.96 3ie1 h GLU 270 N -0.96 0.76 0.89 4.02 4.39 -1.91 0.17 114.58 121.95 3ie1 h GLU 270 Ca -0.44 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.17 3ie1 h GLU 270 Cb 1.24 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.73 3ie1 h GLU 270 CO 0.51 0.50 -0.43 1.49 -1.16 0.00 0.00 179.01 179.93 3ie1 h GLU 271 N 0.79 -1.15 -1.00 2.33 4.81 -1.92 0.18 114.58 118.62 3ie1 h GLU 271 Ca 0.32 0.08 0.13 0.00 -0.13 0.00 0.00 59.36 59.76 3ie1 h GLU 271 Cb 0.25 0.26 -0.09 0.00 0.63 0.00 0.00 28.75 29.80 3ie1 h GLU 271 CO -0.11 -0.77 0.63 0.28 -0.73 0.00 0.00 179.01 178.31 3ie1 h VAL 272 N -1.24 0.89 -0.39 0.32 2.07 -1.64 -1.30 116.25 114.96 3ie1 h VAL 272 Ca -0.12 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 3ie1 h VAL 272 Cb 0.92 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3ie1 h VAL 272 CO 0.20 0.17 -0.06 1.56 0.02 0.00 0.00 177.57 179.46 3ie1 h GLN 273 N 0.96 0.65 -0.53 1.57 4.20 -0.29 -2.79 115.11 118.88 3ie1 h GLN 273 Ca 0.51 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 3ie1 h GLN 273 Cb 0.55 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3ie1 h GLN 273 CO -0.28 0.71 0.29 0.00 -0.67 0.00 0.00 178.83 178.88 3ie1 h ALA 274 N 1.33 0.68 -0.36 3.87 0.00 0.53 -1.97 119.26 123.33 3ie1 h ALA 274 Ca 0.11 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3ie1 h ALA 274 Cb 0.48 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3ie1 h ALA 274 CO 0.02 0.20 0.15 0.45 0.00 0.00 0.00 179.25 180.07 3ie1 h HIS 275 N 0.71 0.27 -0.73 0.00 3.86 -1.22 -1.53 115.15 116.50 3ie1 h HIS 275 Ca 0.19 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3ie1 h HIS 275 Cb 0.05 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 3ie1 h HIS 275 CO -0.01 0.12 0.46 0.74 0.86 0.00 0.00 177.93 180.10 3ie1 h PHE 276 N 0.31 0.94 -0.53 2.45 0.04 -1.26 -1.20 116.94 117.68 3ie1 h PHE 276 Ca 0.16 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.98 3ie1 h PHE 276 Cb 0.11 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 3ie1 h PHE 276 CO -0.13 0.61 0.35 1.25 -0.60 0.00 0.00 178.31 179.79 3ie1 h LEU 277 N 1.00 0.51 -1.32 1.54 5.85 -0.52 0.24 115.31 122.61 3ie1 h LEU 277 Ca 0.27 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3ie1 h LEU 277 Cb -0.08 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.83 3ie1 h LEU 277 CO -0.05 0.35 0.00 0.00 -0.34 0.00 0.00 178.44 178.40 3ie1 n GLN 278 N -4.47 0.86 -0.83 1.25 1.13 -0.47 -4.80 117.38 110.05 3ie1 n GLN 278 Ca 0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 3ie1 n GLN 278 Cb 0.16 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.19 3ie1 n GLN 278 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ie1 n GLY 279 N 0.23 0.21 3.75 1.08 0.00 0.85 -4.99 105.19 106.32 3ie1 n GLY 279 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3ie1 n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie1 s LYS 280 N -1.08 2.79 -0.51 1.61 1.02 -1.10 -5.00 119.74 117.46 3ie1 s LYS 280 Ca 0.00 -0.72 -0.15 0.00 0.02 0.00 0.00 55.97 55.12 3ie1 s LYS 280 Cb 0.00 -2.68 0.11 0.00 -0.52 0.00 0.00 37.83 34.74 3ie1 s LYS 280 CO 0.00 0.56 0.45 1.21 -0.92 0.00 0.00 175.35 176.65 3ie1 s ASN 281 N -2.30 6.11 0.00 2.83 3.84 -1.26 -3.23 114.94 120.93 3ie1 s ASN 281 Ca 0.28 -1.66 0.03 0.00 0.21 0.00 0.00 52.86 51.72 3ie1 s ASN 281 Cb -0.12 -2.17 0.17 0.00 -0.55 0.00 0.00 41.25 38.57 3ie1 s ASN 281 CO 0.20 -0.77 0.76 -0.81 -2.79 0.00 0.00 177.10 173.69 3ie1 n PRO 282 N 5.19 0.62 -0.36 0.43 -0.04 -1.26 -2.80 135.00 136.79 3ie1 n PRO 282 Ca -0.13 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.41 3ie1 n PRO 282 Cb 0.41 -1.07 0.24 0.00 -0.04 0.00 0.00 33.50 33.04 3ie1 n PRO 282 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ie1 n PHE 283 N -0.57 0.85 -3.65 0.54 3.72 -1.26 -4.22 117.46 112.87 3ie1 n PHE 283 Ca 0.02 -0.62 -0.29 0.00 -0.05 0.00 0.00 57.45 56.51 3ie1 n PHE 283 Cb 0.01 -0.15 -0.14 0.00 -0.94 0.00 0.00 39.48 38.26 3ie1 n PHE 283 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3ie1 s ARG 284 N -1.66 0.73 0.81 -1.08 0.52 -1.12 -4.78 118.95 112.37 3ie1 s ARG 284 Ca 0.36 -1.26 -0.12 0.00 -0.52 0.00 0.00 55.73 54.20 3ie1 s ARG 284 Cb 0.23 -1.81 0.08 0.00 0.52 0.00 0.00 34.95 33.97 3ie1 s ARG 284 CO 0.17 -1.07 1.15 -1.25 0.02 0.00 0.00 175.30 174.32 3ie1 s PRO 285 N 1.29 1.99 0.28 3.54 0.04 -1.26 -4.93 135.00 135.95 3ie1 s PRO 285 Ca 0.13 0.23 -0.29 0.00 0.04 0.00 0.00 61.00 61.11 3ie1 s PRO 285 Cb -0.20 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 3ie1 s PRO 285 CO -0.16 -1.60 1.37 0.00 0.04 0.00 0.00 177.00 176.65 3ie1 s ALA 286 N -3.47 3.56 0.00 8.56 0.00 -1.26 -2.98 121.76 126.17 3ie1 s ALA 286 Ca 0.62 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.86 3ie1 s ALA 286 Cb -0.12 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.48 3ie1 s ALA 286 CO 0.51 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.98 3ie1 n GLY 287 N 1.60 0.82 3.74 0.00 0.00 -1.26 -4.72 105.19 105.37 3ie1 n GLY 287 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3ie1 n GLY 287 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ie1 s LEU 288 N 0.00 4.38 -0.02 0.99 2.96 -1.16 -1.33 118.68 124.50 3ie1 s LEU 288 Ca 0.00 2.66 0.02 0.00 -0.22 0.00 0.00 54.13 56.58 3ie1 s LEU 288 Cb 0.00 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 43.08 3ie1 s LEU 288 CO 0.00 -0.71 -0.06 -0.70 -1.32 0.00 0.00 176.35 173.57 3ie1 s GLU 289 N -0.26 0.65 -0.37 1.98 2.56 -0.25 -4.89 118.70 118.12 3ie1 s GLU 289 Ca 0.60 -0.17 -0.12 0.00 0.00 0.00 0.00 54.97 55.28 3ie1 s GLU 289 Cb -0.42 -0.65 0.02 0.00 2.00 0.00 0.00 34.13 35.08 3ie1 s GLU 289 CO 0.42 0.04 0.22 0.08 -0.56 0.00 0.00 175.26 175.47 3ie1 s VAL 290 N 0.32 4.79 -0.47 3.70 1.01 -1.26 -0.93 120.40 127.56 3ie1 s VAL 290 Ca -0.04 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 60.98 3ie1 s VAL 290 Cb -0.08 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.71 3ie1 s VAL 290 CO -0.00 -0.19 0.99 -0.69 0.00 0.00 0.00 175.10 175.21 3ie1 s VAL 291 N 1.60 4.38 -0.03 2.92 1.01 -1.15 -4.96 120.40 124.18 3ie1 s VAL 291 Ca 0.03 0.88 -0.21 0.00 0.00 0.00 0.00 61.98 62.68 3ie1 s VAL 291 Cb -0.19 -4.49 -0.30 0.00 0.00 0.00 0.00 36.38 31.40 3ie1 s VAL 291 CO 0.08 -0.91 0.96 -0.33 0.00 0.00 0.00 175.10 174.90 3ie1 h GLU 292 N 9.14 0.34 -5.82 2.72 4.39 -1.96 -3.36 114.58 120.04 3ie1 h GLU 292 Ca -0.24 -0.52 -0.59 0.00 0.34 0.00 0.00 59.36 58.36 3ie1 h GLU 292 Cb 1.07 0.18 -0.14 0.00 -0.10 0.00 0.00 28.75 29.77 3ie1 h GLU 292 CO 1.06 1.22 -0.68 -1.01 -1.16 0.00 0.00 179.01 178.44 3ie1 s HIS 293 N -2.64 2.29 0.15 4.33 3.76 -1.26 -4.79 115.29 117.12 3ie1 s HIS 293 Ca -0.13 -0.56 -0.27 0.00 -0.15 0.00 0.00 55.06 53.95 3ie1 s HIS 293 Cb 0.02 -1.32 -0.02 0.00 1.11 0.00 0.00 32.58 32.37 3ie1 s HIS 293 CO 0.84 0.50 1.58 1.15 -0.85 0.00 0.00 174.74 177.96 3ie1 h THR 294 N 2.08 0.14 -0.82 1.30 2.02 -1.98 -2.59 112.91 113.07 3ie1 h THR 294 Ca -0.41 0.00 0.18 0.00 0.77 0.00 0.00 66.41 66.94 3ie1 h THR 294 Cb 1.25 0.14 -0.15 0.00 -1.74 0.00 0.00 68.15 67.65 3ie1 h THR 294 CO 0.70 0.00 -0.12 -0.33 0.37 0.00 0.00 175.52 176.13 3ie1 h GLU 295 N -0.38 0.03 -0.01 6.66 4.39 -1.99 0.55 114.58 123.83 3ie1 h GLU 295 Ca 0.12 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.69 3ie1 h GLU 295 Cb 0.59 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 3ie1 h GLU 295 CO -0.50 0.02 -0.58 0.00 -1.16 0.00 0.00 179.01 176.79 3ie1 h ALA 296 N 1.80 1.03 -0.22 3.43 0.00 -1.96 -1.49 119.26 121.85 3ie1 h ALA 296 Ca 0.42 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3ie1 h ALA 296 Cb 0.70 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ie1 h ALA 296 CO -0.80 0.72 -0.34 1.03 0.00 0.00 0.00 179.25 179.86 3ie1 h SER 297 N 0.02 0.69 -0.45 0.00 0.87 0.18 -2.90 113.55 111.95 3ie1 h SER 297 Ca -0.01 -0.52 -0.06 0.00 -1.23 0.00 0.00 61.79 59.98 3ie1 h SER 297 Cb 1.03 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 3ie1 h SER 297 CO 0.08 1.07 0.05 0.11 -0.53 0.00 0.00 176.83 177.61 3ie1 h LYS 298 N 0.32 0.76 -1.02 2.24 1.79 -0.09 -2.78 116.57 117.80 3ie1 h LYS 298 Ca 0.02 -0.22 0.26 0.00 -2.18 0.00 0.00 60.65 58.54 3ie1 h LYS 298 Cb 0.92 -0.08 -0.08 0.00 -1.58 0.00 0.00 32.23 31.42 3ie1 h LYS 298 CO 0.08 0.80 0.68 0.00 -1.08 0.00 0.00 179.45 179.92 3ie1 h ALA 299 N 0.94 2.42 0.00 3.86 0.00 -1.18 0.17 119.26 125.46 3ie1 h ALA 299 Ca 0.13 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3ie1 h ALA 299 Cb 0.42 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ie1 h ALA 299 CO 0.01 -0.77 -0.12 -0.07 0.00 0.00 0.00 179.25 178.30 3ie1 h LEU 300 N 0.30 0.00 -0.80 0.00 3.38 -1.29 -0.92 115.31 115.99 3ie1 h LEU 300 Ca 0.55 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.39 3ie1 h LEU 300 Cb 1.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 3ie1 h LEU 300 CO -0.20 0.12 -0.58 0.78 0.09 0.00 0.00 178.44 178.65 3ie1 h ASN 301 N 0.00 0.08 0.54 -0.43 2.35 -0.76 -3.21 115.58 114.16 3ie1 h ASN 301 Ca -0.00 -0.04 -0.21 0.00 -0.55 0.00 0.00 56.30 55.50 3ie1 h ASN 301 Cb 0.32 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 3ie1 h ASN 301 CO 0.02 0.64 -1.61 0.54 -1.65 0.00 0.00 177.43 175.36 3ie1 n ARG 302 N -3.86 0.63 -2.26 0.81 1.74 -0.91 -4.88 116.66 107.93 3ie1 n ARG 302 Ca -0.02 0.19 -0.36 0.00 -0.77 0.00 0.00 57.85 56.90 3ie1 n ARG 302 Cb 0.59 -1.76 -0.01 0.00 -1.02 0.00 0.00 32.46 30.26 3ie1 n ARG 302 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ie1 s ALA 303 N -2.83 2.88 0.79 7.54 0.00 -0.40 -5.03 121.76 124.71 3ie1 s ALA 303 Ca -0.04 0.90 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 3ie1 s ALA 303 Cb 0.08 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.90 3ie1 s ALA 303 CO 0.82 -0.70 1.12 -1.25 0.00 0.00 0.00 175.76 175.75 3ie1 s PRO 304 N -2.90 2.14 0.44 0.00 0.04 -1.26 -4.94 135.00 128.51 3ie1 s PRO 304 Ca 0.67 0.42 -0.07 0.00 0.04 0.00 0.00 61.00 62.06 3ie1 s PRO 304 Cb -0.27 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.43 3ie1 s PRO 304 CO 0.32 -1.53 0.59 0.41 0.04 0.00 0.00 177.00 176.83 3ie1 n GLY 305 N -2.64 -1.06 3.77 0.56 0.00 -1.24 -4.78 105.19 99.80 3ie1 n GLY 305 Ca 0.07 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 3ie1 n GLY 305 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ie1 s PRO 306 N -4.25 4.62 -0.05 1.61 0.04 -1.24 -4.87 135.00 130.87 3ie1 s PRO 306 Ca 0.34 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.31 3ie1 s PRO 306 Cb -0.01 -3.28 0.09 0.00 0.04 0.00 0.00 34.50 31.34 3ie1 s PRO 306 CO 0.24 0.53 0.79 0.00 0.04 0.00 0.00 177.00 178.59 3ie1 s MET 307 N -1.03 0.92 -0.13 4.56 0.23 -1.04 -4.19 119.30 118.62 3ie1 s MET 307 Ca 0.37 0.07 -0.01 0.00 -1.03 0.00 0.00 55.69 55.09 3ie1 s MET 307 Cb -0.23 0.43 -0.02 0.00 -1.53 0.00 0.00 34.83 33.48 3ie1 s MET 307 CO 0.27 -0.32 -0.11 0.08 -2.03 0.00 0.00 175.02 172.92 3ie1 s VAL 308 N -1.73 3.27 -0.07 5.16 1.01 -0.96 -1.03 120.40 126.06 3ie1 s VAL 308 Ca -0.05 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.40 3ie1 s VAL 308 Cb -0.00 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 3ie1 s VAL 308 CO 0.02 0.52 -0.24 -0.69 0.00 0.00 0.00 175.10 174.71 3ie1 s VAL 309 N 0.31 2.01 -0.16 2.92 1.01 0.11 -0.63 120.40 125.97 3ie1 s VAL 309 Ca -0.09 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.89 3ie1 s VAL 309 Cb -0.15 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.53 3ie1 s VAL 309 CO 0.05 0.55 -0.20 -0.76 0.00 0.00 0.00 175.10 174.74 3ie1 s LEU 310 N 0.06 2.14 0.09 3.92 1.43 0.85 0.01 118.68 127.18 3ie1 s LEU 310 Ca -0.10 -0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 52.25 3ie1 s LEU 310 Cb -0.15 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.61 3ie1 s LEU 310 CO 0.06 0.03 0.30 0.00 0.23 0.00 0.00 176.35 176.97 3ie1 s ALA 311 N 1.10 -0.61 0.49 4.21 0.00 -1.05 0.09 121.76 125.99 3ie1 s ALA 311 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 51.78 3ie1 s ALA 311 Cb -0.14 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.52 3ie1 s ALA 311 CO -0.08 -0.54 0.37 0.20 0.00 0.00 0.00 175.76 175.71 3ie1 s GLY 312 N -2.66 2.28 0.50 0.00 0.00 -1.23 0.12 107.32 106.33 3ie1 s GLY 312 Ca 0.02 -1.61 -0.18 0.00 0.00 0.00 0.00 44.72 42.95 3ie1 s GLY 312 CO -0.10 -1.86 0.99 -1.35 0.00 0.00 0.00 173.10 170.78 3ie1 s SER 313 N -4.19 6.61 0.00 1.64 1.04 -0.13 -2.08 113.70 116.60 3ie1 s SER 313 Ca 0.40 1.66 0.05 0.00 0.48 0.00 0.00 55.95 58.54 3ie1 s SER 313 Cb -0.02 -2.52 0.30 0.00 0.10 0.00 0.00 66.02 63.88 3ie1 s SER 313 CO 0.24 -0.59 0.89 0.61 0.98 0.00 0.00 173.24 175.37 3ie1 n GLY 314 N -1.14 -0.30 0.14 7.32 0.00 -1.07 -1.40 105.19 108.74 3ie1 n GLY 314 Ca 0.07 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.13 3ie1 n GLY 314 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ie1 n MET 315 N -1.13 1.19 -1.53 1.61 2.81 -1.26 -4.70 117.12 114.11 3ie1 n MET 315 Ca 0.03 -2.06 -0.16 0.00 -1.81 0.00 0.00 57.70 53.70 3ie1 n MET 315 Cb 0.03 -1.21 -0.06 0.00 -0.71 0.00 0.00 33.22 31.27 3ie1 n MET 315 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3ie1 n LEU 316 N -0.99 -1.18 -1.23 4.03 4.77 -0.50 -4.74 117.00 117.17 3ie1 n LEU 316 Ca 0.10 0.37 -0.01 0.00 -0.03 0.00 0.00 56.01 56.45 3ie1 n LEU 316 Cb 0.60 -2.31 0.00 0.00 -2.33 0.00 0.00 43.42 39.38 3ie1 n LEU 316 CO 0.01 -0.79 0.72 0.00 -1.33 0.00 0.00 177.39 176.00 3ie1 n ALA 317 N 0.61 3.17 0.00 -1.18 0.00 -1.26 -4.90 120.51 116.94 3ie1 n ALA 317 Ca -0.16 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3ie1 n ALA 317 Cb 0.53 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3ie1 n ALA 317 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie1 n GLY 318 N 0.85 -0.03 0.38 0.00 0.00 -1.26 -4.90 105.19 100.22 3ie1 n GLY 318 Ca 0.02 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.76 3ie1 n GLY 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie1 n GLY 319 N -0.03 -3.10 0.16 -0.02 0.00 -1.26 -0.95 105.19 99.99 3ie1 n GLY 319 Ca 0.00 -2.02 0.03 0.00 0.00 0.00 0.00 46.02 44.03 3ie1 n GLY 319 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ie1 h ARG 320 N 0.00 0.00 -0.92 1.61 3.08 -1.81 -3.17 114.38 113.18 3ie1 h ARG 320 Ca 0.00 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.26 3ie1 h ARG 320 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 3ie1 h ARG 320 CO 0.00 0.50 0.61 0.97 -1.07 0.00 0.00 179.97 180.98 3ie1 h ILE 321 N 0.00 0.65 0.74 2.04 6.09 -1.66 -1.39 117.51 123.98 3ie1 h ILE 321 Ca -0.01 -0.13 -0.04 0.00 -1.37 0.00 0.00 64.86 63.32 3ie1 h ILE 321 Cb 1.10 0.25 0.01 0.00 0.47 0.00 0.00 36.82 38.65 3ie1 h ILE 321 CO 0.07 0.07 -0.35 -0.07 -3.07 0.00 0.00 178.15 174.79 3ie1 h LEU 322 N 0.37 -0.84 -1.87 2.19 3.38 -1.78 -1.08 115.31 115.68 3ie1 h LEU 322 Ca 0.48 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.73 3ie1 h LEU 322 Cb 1.25 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 42.17 3ie1 h LEU 322 CO -0.17 -0.57 0.68 0.45 0.09 0.00 0.00 178.44 178.92 3ie1 h HIS 323 N -1.05 0.14 0.24 1.13 3.86 -1.45 0.66 115.15 118.68 3ie1 h HIS 323 Ca -0.10 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 3ie1 h HIS 323 Cb 0.77 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.20 3ie1 h HIS 323 CO -0.01 0.02 -0.12 0.45 0.86 0.00 0.00 177.93 179.13 3ie1 h HIS 324 N 0.09 -0.30 -0.82 2.45 3.86 -0.93 -3.07 115.15 116.43 3ie1 h HIS 324 Ca 0.48 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.77 3ie1 h HIS 324 Cb 1.74 0.10 -0.06 0.00 1.06 0.00 0.00 27.41 30.25 3ie1 h HIS 324 CO -0.00 0.06 0.53 -0.07 0.86 0.00 0.00 177.93 179.31 3ie1 h LEU 325 N -0.92 0.70 -2.22 2.43 4.07 0.13 0.96 115.31 120.47 3ie1 h LEU 325 Ca -0.03 0.02 0.02 0.00 0.08 0.00 0.00 57.88 57.96 3ie1 h LEU 325 Cb 0.50 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.10 3ie1 h LEU 325 CO 0.05 0.42 0.05 0.50 -1.08 0.00 0.00 178.44 178.39 3ie1 h LYS 326 N 0.78 0.00 -0.00 1.13 3.64 0.25 -2.49 116.57 119.87 3ie1 h LYS 326 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3ie1 h LYS 326 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3ie1 h LYS 326 CO -0.15 0.00 -0.39 0.72 -2.27 0.00 0.00 179.45 177.36 3ie1 n HIS 327 N -4.15 0.00 -0.15 1.91 8.25 0.20 -4.68 115.22 116.59 3ie1 n HIS 327 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3ie1 n HIS 327 Cb 0.15 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3ie1 n HIS 327 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ie1 n GLY 328 N 1.15 -0.43 0.07 -1.41 0.00 -0.40 -4.62 105.19 99.55 3ie1 n GLY 328 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3ie1 n GLY 328 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ie1 n LEU 329 N -0.22 0.47 -0.26 0.99 7.94 -0.95 -2.94 117.00 122.03 3ie1 n LEU 329 Ca 0.00 0.57 0.12 0.00 -1.11 0.00 0.00 56.01 55.59 3ie1 n LEU 329 Cb 0.04 -0.45 0.25 0.00 0.53 0.00 0.00 43.42 43.79 3ie1 n LEU 329 CO 0.00 -0.23 0.51 -1.54 -1.11 0.00 0.00 177.39 175.02 3ie1 n SER 330 N -1.97 1.18 -4.50 1.96 3.41 -1.21 -1.12 113.62 111.38 3ie1 n SER 330 Ca 0.05 -0.96 -0.35 0.00 -0.26 0.00 0.00 58.87 57.35 3ie1 n SER 330 Cb 0.33 0.27 -0.12 0.00 -0.26 0.00 0.00 64.21 64.43 3ie1 n SER 330 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ie1 s ASP 331 N -2.58 5.20 0.30 4.04 3.68 -1.15 -4.35 116.67 121.80 3ie1 s ASP 331 Ca 0.20 -0.12 0.24 0.00 2.13 0.00 0.00 52.55 55.00 3ie1 s ASP 331 Cb 0.19 -1.91 1.08 0.00 -1.45 0.00 0.00 42.92 40.83 3ie1 s ASP 331 CO 0.57 0.06 1.72 1.55 0.13 0.00 0.00 175.17 179.20 3ie1 h PRO 332 N 7.55 0.00 0.00 4.34 0.13 -1.87 -2.48 132.00 139.68 3ie1 h PRO 332 Ca -0.37 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.69 3ie1 h PRO 332 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3ie1 h PRO 332 CO 0.62 0.00 -0.35 0.00 -0.23 0.00 0.00 178.00 178.04 3ie1 h ARG 333 N 0.00 0.00 -7.03 0.86 3.08 -1.92 -3.40 114.38 105.97 3ie1 h ARG 333 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 3ie1 h ARG 333 Cb 0.26 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.31 3ie1 h ARG 333 CO 0.00 0.35 0.26 -0.80 -1.07 0.00 0.00 179.97 178.71 3ie1 s ASN 334 N -6.34 6.61 0.02 7.04 0.01 -0.96 -4.12 114.94 117.20 3ie1 s ASN 334 Ca 0.03 1.40 0.07 0.00 -0.71 0.00 0.00 52.86 53.64 3ie1 s ASN 334 Cb 0.08 -2.43 -0.02 0.00 0.41 0.00 0.00 41.25 39.29 3ie1 s ASN 334 CO 0.70 -0.49 -0.20 0.00 -1.51 0.00 0.00 177.10 175.60 3ie1 s ALA 335 N -2.48 1.68 -0.24 0.60 0.00 0.74 -1.90 121.76 120.17 3ie1 s ALA 335 Ca 0.56 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 3ie1 s ALA 335 Cb -0.10 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.67 3ie1 s ALA 335 CO 0.30 0.39 -0.04 -1.17 0.00 0.00 0.00 175.76 175.23 3ie1 s LEU 336 N -0.95 3.09 -0.26 0.00 0.20 0.22 -0.84 118.68 120.13 3ie1 s LEU 336 Ca 0.07 -0.63 0.00 0.00 0.69 0.00 0.00 54.13 54.26 3ie1 s LEU 336 Cb -0.08 -1.72 0.04 0.00 -0.43 0.00 0.00 46.19 44.01 3ie1 s LEU 336 CO 0.01 -0.08 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.23 3ie1 s VAL 337 N 1.41 2.62 -0.16 1.68 1.01 -0.36 -0.26 120.40 126.35 3ie1 s VAL 337 Ca 0.03 -1.33 -0.24 0.00 0.00 0.00 0.00 61.98 60.45 3ie1 s VAL 337 Cb -0.15 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 3ie1 s VAL 337 CO -0.04 0.05 0.74 -0.36 0.00 0.00 0.00 175.10 175.50 3ie1 s PHE 338 N 1.23 3.44 -0.13 5.22 0.08 -0.13 -3.98 117.98 123.70 3ie1 s PHE 338 Ca -0.04 1.15 0.17 0.00 0.12 0.00 0.00 56.93 58.33 3ie1 s PHE 338 Cb -0.18 -2.91 0.28 0.00 -0.57 0.00 0.00 43.02 39.64 3ie1 s PHE 338 CO -0.04 -0.15 1.16 1.33 -0.10 0.00 0.00 175.22 177.41 3ie1 n VAL 339 N 4.53 1.81 -3.79 -0.44 0.24 -1.26 -0.55 118.33 118.88 3ie1 n VAL 339 Ca 0.02 -2.08 -0.09 0.00 -2.04 0.00 0.00 64.34 60.14 3ie1 n VAL 339 Cb 0.50 -0.15 -0.03 0.00 -1.47 0.00 0.00 33.84 32.68 3ie1 n VAL 339 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ie1 s GLY 340 N -2.57 -0.04 0.31 7.63 0.00 -1.26 -4.39 107.32 106.99 3ie1 s GLY 340 Ca 0.29 -0.29 -0.29 0.00 0.00 0.00 0.00 44.72 44.43 3ie1 s GLY 340 CO 0.03 -0.23 1.53 -0.47 0.00 0.00 0.00 173.10 173.96 3ie1 s TYR 341 N -3.90 2.78 -0.21 1.90 6.14 -1.26 -4.96 117.35 117.83 3ie1 s TYR 341 Ca 0.11 0.95 -0.03 0.00 0.64 0.00 0.00 57.07 58.74 3ie1 s TYR 341 Cb -0.02 -3.99 -0.01 0.00 0.42 0.00 0.00 41.96 38.36 3ie1 s TYR 341 CO 0.01 -3.20 -0.07 -0.65 0.64 0.00 0.00 175.55 172.29 3ie1 s GLN 342 N -0.91 3.34 0.38 4.97 -1.52 -1.26 -4.82 119.66 119.83 3ie1 s GLN 342 Ca 0.59 -0.65 -0.28 0.00 -1.95 0.00 0.00 55.36 53.07 3ie1 s GLN 342 Cb -0.46 -2.94 -0.11 0.00 -0.22 0.00 0.00 33.01 29.28 3ie1 s GLN 342 CO 0.51 -0.17 1.50 -1.25 -0.25 0.00 0.00 175.29 175.62 3ie1 s PRO 343 N 1.38 4.10 0.46 2.91 0.04 -1.26 -4.76 135.00 137.88 3ie1 s PRO 343 Ca 0.05 2.59 -0.24 0.00 0.04 0.00 0.00 61.00 63.43 3ie1 s PRO 343 Cb -0.14 -2.97 -0.07 0.00 0.04 0.00 0.00 34.50 31.36 3ie1 s PRO 343 CO -0.04 -0.55 1.31 1.14 0.04 0.00 0.00 177.00 178.91 3ie1 s GLN 344 N -2.06 3.64 0.00 4.56 -2.07 -1.26 -2.02 119.66 120.45 3ie1 s GLN 344 Ca 0.53 2.15 0.00 0.00 -1.82 0.00 0.00 55.36 56.22 3ie1 s GLN 344 Cb -0.47 -2.53 0.00 0.00 -1.09 0.00 0.00 33.01 28.92 3ie1 s GLN 344 CO 0.63 -0.76 0.00 0.41 -1.32 0.00 0.00 175.29 174.25 3ie1 n GLY 345 N 0.63 3.24 3.90 2.60 0.00 -1.26 -5.03 105.19 109.26 3ie1 n GLY 345 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3ie1 n GLY 345 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ie1 s GLY 346 N -2.33 1.59 0.44 -0.02 0.00 -0.86 -4.90 107.32 101.24 3ie1 s GLY 346 Ca 0.00 -0.42 0.22 0.00 0.00 0.00 0.00 44.72 44.52 3ie1 s GLY 346 CO 0.00 -0.17 1.82 -2.00 0.00 0.00 0.00 173.10 172.75 3ie1 h LEU 347 N -0.15 0.33 0.66 0.66 5.85 -1.87 -1.11 115.31 119.67 3ie1 h LEU 347 Ca -0.45 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 3ie1 h LEU 347 Cb 1.22 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3ie1 h LEU 347 CO 0.62 0.09 -0.46 1.23 -0.34 0.00 0.00 178.44 179.57 3ie1 h GLY 348 N 0.30 -1.22 0.28 3.75 0.00 -1.87 0.27 103.07 104.58 3ie1 h GLY 348 Ca 0.53 0.52 0.11 0.00 0.00 0.00 0.00 47.33 48.50 3ie1 h GLY 348 CO -0.19 -0.41 0.24 0.00 0.00 0.00 0.00 176.54 176.19 3ie1 h ALA 349 N -0.91 0.87 0.27 3.60 0.00 -1.46 0.77 119.26 122.39 3ie1 h ALA 349 Ca -0.08 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ie1 h ALA 349 Cb 0.89 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3ie1 h ALA 349 CO 0.05 -0.21 -0.35 1.49 0.00 0.00 0.00 179.25 180.23 3ie1 h GLU 350 N 0.40 -0.61 -1.01 0.00 4.81 -0.73 -0.42 114.58 117.02 3ie1 h GLU 350 Ca 0.34 0.04 0.23 0.00 -0.13 0.00 0.00 59.36 59.84 3ie1 h GLU 350 Cb 0.47 0.14 -0.11 0.00 0.63 0.00 0.00 28.75 29.87 3ie1 h GLU 350 CO -0.35 -0.41 0.61 0.82 -0.73 0.00 0.00 179.01 178.95 3ie1 h ILE 351 N -0.63 0.59 0.00 2.32 2.04 0.08 0.44 117.51 122.35 3ie1 h ILE 351 Ca -0.03 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 3ie1 h ILE 351 Cb 0.57 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3ie1 h ILE 351 CO -0.08 0.11 -0.19 0.40 0.00 0.00 0.00 178.15 178.39 3ie1 h ILE 352 N 0.62 0.75 0.00 -0.67 2.04 -0.14 0.75 117.51 120.87 3ie1 h ILE 352 Ca 0.62 -0.76 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 3ie1 h ILE 352 Cb 1.15 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 3ie1 h ILE 352 CO -0.42 0.18 -0.17 0.00 0.00 0.00 0.00 178.15 177.74 3ie1 h ALA 353 N 1.81 1.31 -4.61 1.87 0.00 0.15 -3.47 119.26 116.33 3ie1 h ALA 353 Ca -0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 3ie1 h ALA 353 Cb 0.45 -0.03 0.10 0.00 0.00 0.00 0.00 17.79 18.32 3ie1 h ALA 353 CO 0.02 0.21 -0.45 -2.13 0.00 0.00 0.00 179.25 176.91 3ie1 n ARG 354 N -3.74 -1.36 -1.83 0.00 0.63 0.26 -5.05 116.66 105.56 3ie1 n ARG 354 Ca -0.02 0.69 -0.30 0.00 -0.92 0.00 0.00 57.85 57.31 3ie1 n ARG 354 Cb 0.28 -4.35 0.20 0.00 0.45 0.00 0.00 32.46 29.04 3ie1 n ARG 354 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3ie1 s PRO 355 N -3.73 0.23 0.43 -0.14 0.04 -1.26 -4.96 135.00 125.60 3ie1 s PRO 355 Ca 0.24 -0.44 0.23 0.00 0.04 0.00 0.00 61.00 61.08 3ie1 s PRO 355 Cb -0.03 -1.80 0.81 0.00 0.04 0.00 0.00 34.50 33.52 3ie1 s PRO 355 CO 0.49 -2.69 1.78 -1.00 0.04 0.00 0.00 177.00 175.62 3ie1 h PRO 356 N -1.84 0.00 -0.19 0.56 0.13 -1.97 -3.44 132.00 125.25 3ie1 h PRO 356 Ca -0.44 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 64.92 3ie1 h PRO 356 Cb 1.23 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.17 3ie1 h PRO 356 CO 0.34 0.23 0.04 0.00 -0.23 0.00 0.00 178.00 178.38 3ie1 s ALA 357 N -3.55 -4.12 0.95 -0.56 0.00 -1.26 -2.42 121.76 110.81 3ie1 s ALA 357 Ca 0.01 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.23 3ie1 s ALA 357 Cb 0.10 -2.83 0.16 0.00 0.00 0.00 0.00 23.12 20.55 3ie1 s ALA 357 CO 0.65 -2.05 1.09 0.08 0.00 0.00 0.00 175.76 175.53 3ie1 s VAL 358 N 2.97 2.42 -0.15 0.00 1.01 -1.10 -4.56 120.40 120.98 3ie1 s VAL 358 Ca 0.25 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 3ie1 s VAL 358 Cb -0.02 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3ie1 s VAL 358 CO -0.21 -0.18 -0.05 -0.60 0.00 0.00 0.00 175.10 174.06 3ie1 s ARG 359 N -4.85 3.62 -0.06 2.72 3.52 -1.26 -0.11 118.95 122.52 3ie1 s ARG 359 Ca 0.65 -0.54 -0.00 0.00 -0.13 0.00 0.00 55.73 55.70 3ie1 s ARG 359 Cb -0.19 -2.87 0.03 0.00 -1.56 0.00 0.00 34.95 30.35 3ie1 s ARG 359 CO 0.58 0.25 -0.02 0.42 -0.81 0.00 0.00 175.30 175.72 3ie1 s ILE 360 N 0.32 0.50 -1.13 4.11 1.01 -0.42 -4.91 121.20 120.69 3ie1 s ILE 360 Ca -0.05 -0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.35 3ie1 s ILE 360 Cb -0.14 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.75 3ie1 s ILE 360 CO 0.03 0.26 0.74 0.18 0.00 0.00 0.00 174.94 176.14 3ie1 n LEU 361 N 4.69 -1.90 -3.35 2.97 4.32 -1.26 -3.42 117.00 119.06 3ie1 n LEU 361 Ca -0.15 -1.09 -0.17 0.00 -0.02 0.00 0.00 56.01 54.58 3ie1 n LEU 361 Cb 0.50 -2.06 0.05 0.00 -1.62 0.00 0.00 43.42 40.29 3ie1 n LEU 361 CO 0.16 0.55 0.06 0.61 -1.22 0.00 0.00 177.39 177.54 3ie1 n GLY 362 N -1.84 -1.15 0.00 -0.72 0.00 -1.26 -5.01 105.19 95.21 3ie1 n GLY 362 Ca -0.11 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.44 3ie1 n GLY 362 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ie1 n GLU 363 N -3.14 0.00 -3.15 1.61 2.13 -1.22 -5.13 120.64 111.74 3ie1 n GLU 363 Ca -0.07 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.36 3ie1 n GLU 363 Cb 0.59 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.25 3ie1 n GLU 363 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3ie1 s GLU 364 N -0.64 4.34 -0.17 5.31 2.56 -1.26 -1.30 118.70 127.54 3ie1 s GLU 364 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 54.97 55.65 3ie1 s GLU 364 Cb 0.00 -3.48 0.01 0.00 2.00 0.00 0.00 34.13 32.66 3ie1 s GLU 364 CO 0.00 0.01 -0.16 0.14 -0.56 0.00 0.00 175.26 174.69 3ie1 s VAL 365 N 1.06 2.48 0.82 3.70 -7.23 0.85 -4.97 120.40 117.11 3ie1 s VAL 365 Ca 0.31 -0.82 -0.14 0.00 -1.81 0.00 0.00 61.98 59.53 3ie1 s VAL 365 Cb -0.16 -2.05 0.04 0.00 0.56 0.00 0.00 36.38 34.76 3ie1 s VAL 365 CO 0.13 0.51 0.82 -2.65 -0.31 0.00 0.00 175.10 173.61 3ie1 n PRO 366 N 4.35 0.08 -3.85 4.82 -0.02 -1.26 -2.72 135.00 136.40 3ie1 n PRO 366 Ca -0.20 0.09 -0.31 0.00 -2.02 0.00 0.00 63.50 61.06 3ie1 n PRO 366 Cb 0.51 -2.12 -0.12 0.00 -0.02 0.00 0.00 33.50 31.75 3ie1 n PRO 366 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ie1 s LEU 367 N -3.05 4.80 -0.21 2.45 2.96 -1.01 -3.31 118.68 121.32 3ie1 s LEU 367 Ca 0.67 -3.36 -0.01 0.00 -0.22 0.00 0.00 54.13 51.21 3ie1 s LEU 367 Cb -0.29 -1.71 -0.20 0.00 0.50 0.00 0.00 46.19 44.49 3ie1 s LEU 367 CO 0.57 -0.20 -0.01 0.54 -1.32 0.00 0.00 176.35 175.93 3ie1 n ARG 368 N 2.69 0.69 -1.49 1.98 3.00 -0.27 -4.91 116.66 118.36 3ie1 n ARG 368 Ca 0.12 0.19 -0.41 0.00 -0.01 0.00 0.00 57.85 57.74 3ie1 n ARG 368 Cb 0.35 -1.59 0.01 0.00 0.00 0.00 0.00 32.46 31.23 3ie1 n ARG 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ie1 n ALA 369 N -3.16 -1.13 -1.29 7.54 0.00 -0.91 -4.39 120.51 117.17 3ie1 n ALA 369 Ca -0.41 0.15 -0.31 0.00 0.00 0.00 0.00 53.44 52.88 3ie1 n ALA 369 Cb 1.01 -1.84 0.09 0.00 0.00 0.00 0.00 19.45 18.71 3ie1 n ALA 369 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ie1 s SER 370 N -0.94 4.48 0.02 0.00 1.04 -0.80 -4.85 113.70 112.65 3ie1 s SER 370 Ca 0.64 1.76 0.04 0.00 0.48 0.00 0.00 55.95 58.87 3ie1 s SER 370 Cb -0.57 -2.47 -0.02 0.00 0.10 0.00 0.00 66.02 63.05 3ie1 s SER 370 CO 0.57 -2.04 -0.11 -0.69 0.98 0.00 0.00 173.24 171.95 3ie1 s VAL 371 N -2.92 0.87 -0.01 5.02 1.01 -1.26 -0.61 120.40 122.49 3ie1 s VAL 371 Ca 0.61 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 3ie1 s VAL 371 Cb -0.17 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.43 3ie1 s VAL 371 CO 0.56 0.01 0.16 -1.00 0.00 0.00 0.00 175.10 174.82 3ie1 s HIS 372 N -0.71 -0.00 -0.21 5.22 3.76 0.65 -4.92 115.29 119.07 3ie1 s HIS 372 Ca 0.00 -0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 54.87 3ie1 s HIS 372 Cb -0.07 -0.02 0.06 0.00 1.11 0.00 0.00 32.58 33.66 3ie1 s HIS 372 CO 0.01 -0.28 -0.01 0.99 -0.85 0.00 0.00 174.74 174.59 3ie1 s THR 373 N -1.23 1.04 -0.95 1.30 2.01 -1.26 -0.95 115.64 115.59 3ie1 s THR 373 Ca -0.13 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 3ie1 s THR 373 Cb -0.07 -1.40 0.29 0.00 0.01 0.00 0.00 72.50 71.33 3ie1 s THR 373 CO 0.02 -0.12 1.22 0.18 -0.69 0.00 0.00 174.62 175.23 3ie1 n LEU 374 N 4.86 5.52 0.18 4.42 4.77 0.29 -4.85 117.00 132.18 3ie1 n LEU 374 Ca -0.11 -5.26 0.09 0.00 -0.03 0.00 0.00 56.01 50.70 3ie1 n LEU 374 Cb 0.46 -1.11 0.48 0.00 -2.33 0.00 0.00 43.42 40.91 3ie1 n LEU 374 CO 0.16 1.76 0.84 1.23 -1.33 0.00 0.00 177.39 180.04 3ie1 h GLY 375 N 5.22 0.00 2.00 -0.72 0.00 -1.91 -1.34 103.07 106.32 3ie1 h GLY 375 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3ie1 h GLY 375 CO 1.15 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.30 3ie1 n GLY 376 N -1.28 -1.00 0.32 4.60 0.00 -1.26 -1.99 105.19 104.58 3ie1 n GLY 376 Ca -0.01 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.15 3ie1 n GLY 376 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ie1 n PHE 377 N -1.89 0.13 -1.72 1.61 0.99 -0.50 -4.71 117.46 111.37 3ie1 n PHE 377 Ca 0.02 -0.06 -0.42 0.00 -0.00 0.00 0.00 57.45 56.99 3ie1 n PHE 377 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.63 3ie1 n PHE 377 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3ie1 n SER 378 N -0.14 2.95 -0.92 4.37 2.88 -0.84 -4.86 113.62 117.06 3ie1 n SER 378 Ca 0.15 1.18 0.10 0.00 -1.33 0.00 0.00 58.87 58.96 3ie1 n SER 378 Cb 0.21 -1.53 0.27 0.00 -0.75 0.00 0.00 64.21 62.41 3ie1 n SER 378 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ie1 n GLY 379 N 0.70 1.23 3.60 0.46 0.00 -1.26 -4.65 105.19 105.27 3ie1 n GLY 379 Ca 0.05 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 3ie1 n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie1 s ALA 380 N -1.48 3.03 0.05 4.61 0.00 -1.26 -3.72 121.76 123.00 3ie1 s ALA 380 Ca 0.36 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 3ie1 s ALA 380 Cb 0.19 -1.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.14 3ie1 s ALA 380 CO 0.27 0.63 1.71 0.00 0.00 0.00 0.00 175.76 178.36 3ie1 s ALA 381 N -1.07 3.67 0.96 0.00 0.00 -0.79 -4.15 121.76 120.38 3ie1 s ALA 381 Ca 0.19 1.20 -0.13 0.00 0.00 0.00 0.00 51.96 53.22 3ie1 s ALA 381 Cb -0.11 -3.73 0.17 0.00 0.00 0.00 0.00 23.12 19.45 3ie1 s ALA 381 CO 0.10 -1.22 1.14 0.20 0.00 0.00 0.00 175.76 175.99 3ie1 s GLY 382 N 2.81 1.59 0.32 0.00 0.00 -1.26 -4.43 107.32 106.34 3ie1 s GLY 382 Ca 0.76 -0.61 0.09 0.00 0.00 0.00 0.00 44.72 44.96 3ie1 s GLY 382 CO 0.33 0.01 1.73 -1.61 0.00 0.00 0.00 173.10 173.57 3ie1 h GLN 383 N -1.69 0.59 -0.10 2.90 4.15 0.02 0.06 115.11 121.04 3ie1 h GLN 383 Ca -0.50 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 58.81 3ie1 h GLN 383 Cb 1.32 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 3ie1 h GLN 383 CO 0.56 0.39 -0.28 0.38 -1.93 0.00 0.00 178.83 177.95 3ie1 h ASP 384 N 0.60 0.17 0.29 -0.69 -0.00 -1.87 -1.00 116.42 113.92 3ie1 h ASP 384 Ca 0.63 -0.05 -0.26 0.00 -0.00 0.00 0.00 57.03 57.35 3ie1 h ASP 384 Cb 1.18 -0.05 0.01 0.00 -0.00 0.00 0.00 39.33 40.47 3ie1 h ASP 384 CO -0.46 0.45 -1.10 -0.33 -0.00 0.00 0.00 179.24 177.80 3ie1 h GLU 385 N 0.16 0.48 0.18 4.15 5.08 -1.36 -2.71 114.58 120.55 3ie1 h GLU 385 Ca 0.02 -0.59 0.01 0.00 -1.00 0.00 0.00 59.36 57.80 3ie1 h GLU 385 Cb 0.58 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 3ie1 h GLU 385 CO 0.04 1.23 -0.20 -0.07 -1.00 0.00 0.00 179.01 179.01 3ie1 h LEU 386 N 0.23 -0.55 -1.37 1.33 4.07 -1.04 -0.30 115.31 117.68 3ie1 h LEU 386 Ca -0.13 0.06 0.09 0.00 0.08 0.00 0.00 57.88 57.98 3ie1 h LEU 386 Cb 1.76 0.20 -0.05 0.00 1.08 0.00 0.00 40.66 43.64 3ie1 h LEU 386 CO 0.20 -0.30 0.51 -0.07 -1.08 0.00 0.00 178.44 177.70 3ie1 h LEU 387 N -0.42 0.64 -0.23 1.67 3.38 -1.21 -0.56 115.31 118.58 3ie1 h LEU 387 Ca 0.01 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 3ie1 h LEU 387 Cb 0.41 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ie1 h LEU 387 CO -0.07 0.39 -0.87 0.44 0.09 0.00 0.00 178.44 178.42 3ie1 h ASP 388 N 0.71 0.59 -0.04 -0.43 5.19 -1.08 -0.21 116.42 121.15 3ie1 h ASP 388 Ca 0.35 -0.44 -0.02 0.00 -0.62 0.00 0.00 57.03 56.31 3ie1 h ASP 388 Cb 0.43 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 3ie1 h ASP 388 CO -0.13 1.22 -0.04 -0.25 -3.12 0.00 0.00 179.24 176.92 3ie1 h TRP 389 N 0.29 0.11 0.00 4.55 7.01 -0.66 -3.15 115.95 124.10 3ie1 h TRP 389 Ca -0.06 -0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.84 3ie1 h TRP 389 Cb 1.48 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.51 3ie1 h TRP 389 CO 0.06 0.55 -0.29 -0.07 -2.79 0.00 0.00 178.44 175.91 3ie1 h LEU 390 N -0.37 0.00 -8.15 0.65 4.07 -1.15 -3.43 115.31 106.93 3ie1 h LEU 390 Ca 0.01 0.00 -0.76 0.00 0.08 0.00 0.00 57.88 57.21 3ie1 h LEU 390 Cb 0.54 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.30 3ie1 h LEU 390 CO 0.01 0.29 0.34 1.67 -1.08 0.00 0.00 178.44 179.66 3ie1 n GLN 391 N -4.07 0.00 0.00 1.13 0.00 -0.09 -1.63 117.38 112.72 3ie1 n GLN 391 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 3ie1 n GLN 391 Cb 0.34 -1.36 0.00 0.00 0.00 0.00 0.00 30.24 29.23 3ie1 n GLN 391 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ie1 n GLY 392 N 2.48 2.99 3.73 1.69 0.00 -1.26 -5.03 105.19 109.79 3ie1 n GLY 392 Ca 0.23 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3ie1 n GLY 392 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie1 s GLU 393 N 0.00 4.27 0.05 1.61 0.41 -0.65 -4.94 118.70 119.45 3ie1 s GLU 393 Ca 0.00 2.27 -0.19 0.00 -0.41 0.00 0.00 54.97 56.64 3ie1 s GLU 393 Cb 0.00 -3.15 -0.15 0.00 -1.78 0.00 0.00 34.13 29.05 3ie1 s GLU 393 CO 0.00 -0.46 1.30 -1.00 -0.49 0.00 0.00 175.26 174.61 3ie1 h PRO 394 N 5.81 0.46 -6.52 0.39 0.13 -1.89 -3.46 132.00 126.92 3ie1 h PRO 394 Ca -0.44 -0.30 -0.69 0.00 -0.87 0.00 0.00 66.00 63.70 3ie1 h PRO 394 Cb 1.21 0.04 -0.25 0.00 0.13 0.00 0.00 31.00 32.13 3ie1 h PRO 394 CO 0.83 0.90 -0.82 1.03 -0.23 0.00 0.00 178.00 179.70 3ie1 s ARG 395 N -4.02 2.20 -0.14 0.86 0.52 -1.26 -0.67 118.95 116.43 3ie1 s ARG 395 Ca -0.13 -0.89 -0.06 0.00 -0.52 0.00 0.00 55.73 54.13 3ie1 s ARG 395 Cb 0.06 -2.19 0.06 0.00 0.52 0.00 0.00 34.95 33.40 3ie1 s ARG 395 CO 0.79 0.57 0.29 0.08 0.02 0.00 0.00 175.30 177.05 3ie1 s VAL 396 N -0.76 -0.34 -0.25 3.52 1.01 0.42 -2.29 120.40 121.70 3ie1 s VAL 396 Ca 0.12 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.27 3ie1 s VAL 396 Cb -0.10 -0.48 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 3ie1 s VAL 396 CO 0.02 0.09 0.02 -0.69 0.00 0.00 0.00 175.10 174.54 3ie1 s VAL 397 N 2.13 3.71 -0.18 2.92 1.01 0.26 -1.72 120.40 128.52 3ie1 s VAL 397 Ca -0.02 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 3ie1 s VAL 397 Cb -0.11 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3ie1 s VAL 397 CO -0.09 0.27 0.68 -0.76 0.00 0.00 0.00 175.10 175.20 3ie1 s LEU 398 N 1.50 4.16 0.36 3.92 1.02 -0.87 -1.70 118.68 127.07 3ie1 s LEU 398 Ca 0.04 0.93 0.04 0.00 0.02 0.00 0.00 54.13 55.16 3ie1 s LEU 398 Cb -0.16 -2.98 -0.05 0.00 0.02 0.00 0.00 46.19 43.02 3ie1 s LEU 398 CO -0.00 -0.30 0.07 0.68 0.02 0.00 0.00 176.35 176.82 3ie1 s VAL 399 N 1.91 1.09 -0.41 -1.59 -7.23 0.55 -3.16 120.40 111.56 3ie1 s VAL 399 Ca 0.31 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.35 3ie1 s VAL 399 Cb -0.16 -2.66 0.02 0.00 0.56 0.00 0.00 36.38 34.14 3ie1 s VAL 399 CO 0.11 0.00 0.48 1.57 -0.31 0.00 0.00 175.10 176.95 3ie1 n HIS 400 N -0.79 -3.59 0.00 2.82 -0.00 0.86 -2.64 115.22 111.88 3ie1 n HIS 400 Ca -0.04 1.48 0.00 0.00 -0.00 0.00 0.00 57.72 59.15 3ie1 n HIS 400 Cb 0.66 -4.05 0.00 0.00 -0.00 0.00 0.00 29.99 26.60 3ie1 n HIS 400 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3ie1 n GLY 401 N -0.10 2.31 3.71 1.57 0.00 0.33 -0.73 105.19 112.29 3ie1 n GLY 401 Ca 0.09 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 3ie1 n GLY 401 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie1 s GLU 402 N -2.00 4.38 0.10 1.61 2.02 -1.26 -0.79 118.70 122.75 3ie1 s GLU 402 Ca 0.00 0.78 -0.01 0.00 0.02 0.00 0.00 54.97 55.76 3ie1 s GLU 402 Cb 0.00 -3.47 0.20 0.00 0.10 0.00 0.00 34.13 30.96 3ie1 s GLU 402 CO 0.00 0.02 0.50 -1.91 0.02 0.00 0.00 175.26 173.89 3ie1 n GLU 403 N 4.02 -0.03 0.10 1.61 2.13 -1.23 0.76 120.64 127.99 3ie1 n GLU 403 Ca -0.02 0.49 -0.12 0.00 0.66 0.00 0.00 57.16 58.17 3ie1 n GLU 403 Cb 0.51 -0.76 -0.05 0.00 0.27 0.00 0.00 31.44 31.41 3ie1 n GLU 403 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3ie1 h GLU 404 N 0.00 -0.39 0.01 5.31 3.07 -1.93 0.68 114.58 121.32 3ie1 h GLU 404 Ca 0.18 0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.06 3ie1 h GLU 404 Cb 0.33 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3ie1 h GLU 404 CO -0.31 -0.26 -0.00 0.87 -1.40 0.00 0.00 179.01 177.90 3ie1 h LYS 405 N -0.41 -0.01 -0.44 2.33 1.79 0.00 0.16 116.57 120.00 3ie1 h LYS 405 Ca 0.04 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.57 3ie1 h LYS 405 Cb 0.44 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.04 3ie1 h LYS 405 CO -0.15 0.05 0.14 -0.07 -1.08 0.00 0.00 179.45 178.34 3ie1 h LEU 406 N -0.06 0.12 0.51 2.94 -0.00 -1.08 -1.22 115.31 116.51 3ie1 h LEU 406 Ca -0.00 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 3ie1 h LEU 406 Cb 0.06 0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.76 3ie1 h LEU 406 CO 0.00 0.10 -0.47 -0.07 -0.00 0.00 0.00 178.44 178.00 3ie1 h LEU 407 N 0.29 -1.28 -0.91 1.67 4.07 0.63 0.54 115.31 120.32 3ie1 h LEU 407 Ca 0.21 0.10 0.26 0.00 0.08 0.00 0.00 57.88 58.53 3ie1 h LEU 407 Cb 0.22 0.42 -0.15 0.00 1.08 0.00 0.00 40.66 42.23 3ie1 h LEU 407 CO -0.23 -0.64 0.26 0.00 -1.08 0.00 0.00 178.44 176.74 3ie1 h ALA 408 N -0.77 1.38 -0.23 1.53 0.00 -0.16 0.36 119.26 121.36 3ie1 h ALA 408 Ca -0.06 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3ie1 h ALA 408 Cb 0.85 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3ie1 h ALA 408 CO -0.04 -0.52 -0.07 1.25 0.00 0.00 0.00 179.25 179.87 3ie1 h LEU 409 N 0.18 0.46 -0.48 0.00 6.46 -0.72 -3.16 115.31 118.04 3ie1 h LEU 409 Ca 0.59 -0.38 0.09 0.00 -0.12 0.00 0.00 57.88 58.06 3ie1 h LEU 409 Cb 1.25 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 40.98 3ie1 h LEU 409 CO -0.70 0.73 0.07 1.23 -0.62 0.00 0.00 178.44 179.16 3ie1 h GLY 410 N 0.18 0.56 -0.08 3.75 0.00 0.19 0.96 103.07 108.64 3ie1 h GLY 410 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.49 3ie1 h GLY 410 CO 0.03 -0.09 -0.14 1.70 0.00 0.00 0.00 176.54 178.04 3ie1 h LYS 411 N 0.20 -0.01 -0.64 4.80 3.64 -1.11 1.43 116.57 124.88 3ie1 h LYS 411 Ca 0.24 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3ie1 h LYS 411 Cb 0.34 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3ie1 h LYS 411 CO -0.34 -0.00 0.30 -0.07 -2.27 0.00 0.00 179.45 177.07 3ie1 h LEU 412 N -0.01 0.84 -0.33 5.20 3.38 -1.31 0.15 115.31 123.22 3ie1 h LEU 412 Ca 0.26 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3ie1 h LEU 412 Cb 0.40 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3ie1 h LEU 412 CO -0.55 0.74 0.16 -0.07 0.09 0.00 0.00 178.44 178.81 3ie1 h LEU 413 N 0.88 0.43 0.36 1.67 3.38 0.19 -1.75 115.31 120.46 3ie1 h LEU 413 Ca 0.22 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3ie1 h LEU 413 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3ie1 h LEU 413 CO -0.03 0.43 -0.17 0.00 0.09 0.00 0.00 178.44 178.76 3ie1 h ALA 414 N 1.02 -0.48 0.00 1.53 0.00 0.21 -0.30 119.26 121.24 3ie1 h ALA 414 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ie1 h ALA 414 Cb 0.11 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ie1 h ALA 414 CO -0.02 -0.70 0.15 -0.07 0.00 0.00 0.00 179.25 178.61 3ie1 h LEU 415 N -0.60 0.00 0.00 0.00 3.38 -0.67 0.34 115.31 117.75 3ie1 h LEU 415 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ie1 h LEU 415 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3ie1 h LEU 415 CO 0.08 0.00 -0.66 -1.14 0.09 0.00 0.00 178.44 176.81 3ie1 n ARG 416 N -2.74 0.30 0.00 1.13 0.63 -0.66 -4.95 116.66 110.37 3ie1 n ARG 416 Ca -0.02 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 3ie1 n ARG 416 Cb 0.20 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.43 3ie1 n ARG 416 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ie1 n GLY 417 N 1.34 1.13 3.57 5.14 0.00 0.12 -5.08 105.19 111.41 3ie1 n GLY 417 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3ie1 n GLY 417 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ie1 s GLN 418 N -0.24 3.87 -0.11 1.61 -0.21 -0.19 -5.00 119.66 119.39 3ie1 s GLN 418 Ca 0.00 -0.38 -0.29 0.00 0.02 0.00 0.00 55.36 54.71 3ie1 s GLN 418 Cb 0.00 -3.32 -0.05 0.00 1.00 0.00 0.00 33.01 30.64 3ie1 s GLN 418 CO 0.00 0.05 1.68 -1.21 -2.12 0.00 0.00 175.29 173.70 3ie1 s GLU 419 N 0.99 3.99 0.03 2.91 2.02 0.15 -3.89 118.70 124.91 3ie1 s GLU 419 Ca 0.05 2.02 0.01 0.00 0.02 0.00 0.00 54.97 57.07 3ie1 s GLU 419 Cb -0.14 -4.03 -0.02 0.00 0.10 0.00 0.00 34.13 30.04 3ie1 s GLU 419 CO 0.03 -1.07 -0.06 0.54 0.02 0.00 0.00 175.26 174.73 3ie1 s VAL 420 N 4.67 0.37 0.33 2.63 0.11 -1.26 -0.44 120.40 126.82 3ie1 s VAL 420 Ca 0.75 -0.97 0.06 0.00 -2.93 0.00 0.00 61.98 58.89 3ie1 s VAL 420 Cb -0.31 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.05 3ie1 s VAL 420 CO 0.30 -0.40 0.25 -0.55 -3.33 0.00 0.00 175.10 171.37 3ie1 s SER 421 N -1.46 1.69 -0.61 3.54 0.15 -0.70 -4.99 113.70 111.32 3ie1 s SER 421 Ca -0.12 -1.73 0.04 0.00 0.70 0.00 0.00 55.95 54.85 3ie1 s SER 421 Cb -0.10 0.54 0.16 0.00 -1.71 0.00 0.00 66.02 64.91 3ie1 s SER 421 CO -0.00 -1.03 0.41 -0.76 1.20 0.00 0.00 173.24 173.05 3ie1 s LEU 422 N -3.38 4.16 0.00 3.45 1.02 -1.26 -2.05 118.68 120.62 3ie1 s LEU 422 Ca 0.39 -3.49 0.00 0.00 0.02 0.00 0.00 54.13 51.05 3ie1 s LEU 422 Cb 0.03 -1.46 0.00 0.00 0.02 0.00 0.00 46.19 44.78 3ie1 s LEU 422 CO 0.25 -0.14 0.00 0.00 0.02 0.00 0.00 176.35 176.48 3ie1 n ALA 423 N 2.44 -0.51 -2.67 4.21 0.00 -1.19 -4.90 120.51 117.90 3ie1 n ALA 423 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 3ie1 n ALA 423 Cb 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.72 3ie1 n ALA 423 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ie1 s ARG 424 N 0.00 2.48 -0.11 0.00 0.52 -1.26 -4.45 118.95 116.13 3ie1 s ARG 424 Ca 0.00 -0.90 -0.34 0.00 -0.52 0.00 0.00 55.73 53.98 3ie1 s ARG 424 Cb 0.00 -2.49 -0.11 0.00 0.52 0.00 0.00 34.95 32.87 3ie1 s ARG 424 CO 0.00 0.52 1.92 0.34 0.02 0.00 0.00 175.30 178.11 3ie1 n PHE 425 N 0.49 2.28 -2.56 -0.53 7.35 -1.26 -2.42 117.46 120.82 3ie1 n PHE 425 Ca -0.11 -0.01 -0.18 0.00 -0.76 0.00 0.00 57.45 56.38 3ie1 n PHE 425 Cb 0.52 -2.67 0.01 0.00 0.35 0.00 0.00 39.48 37.69 3ie1 n PHE 425 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ie1 n GLY 426 N 4.60 -0.35 2.53 7.13 0.00 0.16 -4.97 105.19 114.30 3ie1 n GLY 426 Ca 0.24 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3ie1 n GLY 426 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ie1 n GLU 427 N -3.03 2.53 -0.75 1.61 1.02 -1.01 -4.92 120.64 116.08 3ie1 n GLU 427 Ca -0.16 -4.57 -0.26 0.00 -0.02 0.00 0.00 57.16 52.15 3ie1 n GLU 427 Cb 0.64 -2.15 -0.01 0.00 -0.02 0.00 0.00 31.44 29.89 3ie1 n GLU 427 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ie1 n GLY 428 N 0.57 -1.02 3.63 0.62 0.00 -1.25 -4.76 105.19 102.99 3ie1 n GLY 428 Ca 0.29 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 46.16 3ie1 n GLY 428 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ie1 s VAL 429 N -0.59 3.84 -0.08 1.61 1.01 -0.25 -4.86 120.40 121.07 3ie1 s VAL 429 Ca 0.34 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 3ie1 s VAL 429 Cb -0.49 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3ie1 s VAL 429 CO 0.31 0.33 1.47 -2.16 0.00 0.00 0.00 175.10 175.05 3ie1 s PRO 430 N -1.65 4.22 0.00 2.72 0.04 -1.26 -2.64 135.00 136.43 3ie1 s PRO 430 Ca 0.19 1.96 0.23 0.00 0.04 0.00 0.00 61.00 63.43 3ie1 s PRO 430 Cb -0.11 -3.83 1.37 0.00 0.04 0.00 0.00 34.50 31.97 3ie1 s PRO 430 CO 0.10 -0.75 1.74 0.28 0.04 0.00 0.00 177.00 178.42