#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 0.34 -0.11 2.12 1.70 -0.81 0.89 118.95 123.07 3ie1 s ARG 2 Ca 0.00 0.34 -0.02 0.00 -0.47 0.00 0.00 55.73 55.58 3ie1 s ARG 2 Cb 0.00 0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.51 3ie1 s ARG 2 CO 0.00 -0.05 -0.04 -1.50 -1.08 0.00 0.00 175.30 172.64 3ie1 s ILE 3 N 0.04 3.94 -0.21 4.99 1.10 -0.32 -1.10 121.20 129.64 3ie1 s ILE 3 Ca -0.01 -0.37 -0.01 0.00 -0.51 0.00 0.00 60.65 59.76 3ie1 s ILE 3 Cb -0.02 -2.68 0.02 0.00 0.15 0.00 0.00 42.46 39.93 3ie1 s ILE 3 CO 0.01 0.55 -0.12 -0.69 -2.11 0.00 0.00 174.94 172.57 3ie1 s VAL 4 N -0.27 2.56 0.10 4.00 1.01 0.38 -1.14 120.40 127.05 3ie1 s VAL 4 Ca 0.05 -0.93 -0.31 0.00 0.00 0.00 0.00 61.98 60.79 3ie1 s VAL 4 Cb -0.13 -2.20 -0.08 0.00 0.00 0.00 0.00 36.38 33.98 3ie1 s VAL 4 CO 0.02 0.37 1.38 -2.84 0.00 0.00 0.00 175.10 174.04 3ie1 s PRO 5 N 1.32 4.32 -0.19 2.72 0.02 -1.26 -1.55 135.00 140.38 3ie1 s PRO 5 Ca 0.03 2.06 0.19 0.00 0.02 0.00 0.00 61.00 63.29 3ie1 s PRO 5 Cb -0.15 -3.28 0.47 0.00 0.02 0.00 0.00 34.50 31.56 3ie1 s PRO 5 CO -0.08 -0.44 1.16 1.19 -0.33 0.00 0.00 177.00 178.49 3ie1 n PHE 6 N 4.08 1.06 -0.40 6.54 3.72 0.90 -1.21 117.46 132.15 3ie1 n PHE 6 Ca 0.12 -1.63 0.00 0.00 -0.05 0.00 0.00 57.45 55.88 3ie1 n PHE 6 Cb 0.43 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.40 -2.24 1.24 1.37 0.00 -1.24 -4.40 105.19 99.52 3ie1 n GLY 7 Ca 0.16 -1.21 -0.02 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 -0.10 -2.59 4.61 0.00 0.97 -4.58 120.51 118.81 3ie1 n ALA 8 Ca 0.00 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 3ie1 n ALA 8 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.22 3.07 -2.09 0.00 0.00 -1.26 -1.60 121.76 118.65 3ie1 s ALA 9 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.17 3ie1 s ALA 9 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.18 3ie1 s ALA 9 CO 0.00 -2.49 0.00 0.54 0.00 0.00 0.00 175.76 173.81 3ie1 n ARG 10 N 8.10 -1.49 0.00 0.00 1.74 -1.25 -4.80 116.66 118.95 3ie1 n ARG 10 Ca 0.08 1.17 0.00 0.00 -0.77 0.00 0.00 57.85 58.33 3ie1 n ARG 10 Cb 0.49 -5.59 0.00 0.00 -1.02 0.00 0.00 32.46 26.34 3ie1 n ARG 10 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3ie1 n GLU 11 N -2.44 0.00 -2.80 5.56 0.28 -0.28 -2.96 120.64 118.00 3ie1 n GLU 11 Ca -0.21 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.68 3ie1 n GLU 11 Cb 0.67 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.57 3ie1 n GLU 11 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3ie1 n VAL 12 N 0.00 0.54 -3.61 3.84 0.24 -1.25 0.21 118.33 118.29 3ie1 n VAL 12 Ca 0.00 -3.16 -0.13 0.00 -2.04 0.00 0.00 64.34 59.00 3ie1 n VAL 12 Cb 0.00 0.52 -0.06 0.00 -1.47 0.00 0.00 33.84 32.84 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 -2.39 0.04 -1.52 3.34 -4.23 -1.26 -4.94 115.64 104.68 3ie1 s THR 13 Ca 0.29 -0.35 -0.14 0.00 -1.18 0.00 0.00 61.69 60.32 3ie1 s THR 13 Cb 0.42 -0.98 0.08 0.00 1.34 0.00 0.00 72.50 73.36 3ie1 s THR 13 CO -0.01 -0.19 0.99 0.61 -0.54 0.00 0.00 174.62 175.48 3ie1 n GLY 14 N 0.39 -0.50 3.67 3.99 0.00 0.22 -0.02 105.19 112.94 3ie1 n GLY 14 Ca -0.18 0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3ie1 n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ie1 n SER 15 N -2.83 2.72 -3.24 1.61 7.64 -1.07 -3.85 113.62 114.60 3ie1 n SER 15 Ca 0.04 1.16 0.04 0.00 1.01 0.00 0.00 58.87 61.12 3ie1 n SER 15 Cb 0.53 -1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.26 3ie1 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ie1 s ALA 16 N -0.31 -3.15 -0.19 -0.43 0.00 -1.26 0.69 121.76 117.11 3ie1 s ALA 16 Ca 0.65 1.71 0.01 0.00 0.00 0.00 0.00 51.96 54.33 3ie1 s ALA 16 Cb -0.63 -2.31 0.04 0.00 0.00 0.00 0.00 23.12 20.22 3ie1 s ALA 16 CO 0.53 -1.19 -0.10 -1.01 0.00 0.00 0.00 175.76 173.98 3ie1 s HIS 17 N 2.61 2.33 -0.28 0.00 0.09 -0.63 -0.07 115.29 119.34 3ie1 s HIS 17 Ca -0.01 -1.51 -0.29 0.00 -0.00 0.00 0.00 55.06 53.25 3ie1 s HIS 17 Cb -0.07 -1.61 0.01 0.00 -0.00 0.00 0.00 32.58 30.91 3ie1 s HIS 17 CO -0.14 -0.73 1.05 -1.17 -0.00 0.00 0.00 174.74 173.75 3ie1 s LEU 18 N 1.42 4.01 -0.18 0.89 2.96 -0.60 -0.40 118.68 126.79 3ie1 s LEU 18 Ca -0.00 1.19 -0.15 0.00 -0.22 0.00 0.00 54.13 54.94 3ie1 s LEU 18 Cb -0.16 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3ie1 s LEU 18 CO -0.08 -0.78 0.37 -0.22 -1.32 0.00 0.00 176.35 174.32 3ie1 s LEU 19 N 3.43 4.19 -0.27 -0.68 2.96 0.35 -0.47 118.68 128.19 3ie1 s LEU 19 Ca 0.44 0.54 0.00 0.00 -0.22 0.00 0.00 54.13 54.90 3ie1 s LEU 19 Cb -0.13 -2.49 0.05 0.00 0.50 0.00 0.00 46.19 44.11 3ie1 s LEU 19 CO 0.11 -0.01 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.30 3ie1 s LEU 20 N 0.98 3.46 0.00 -0.68 1.43 -0.26 -1.13 118.68 122.49 3ie1 s LEU 20 Ca 0.19 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 3ie1 s LEU 20 Cb -0.14 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.45 3ie1 s LEU 20 CO 0.07 -0.19 0.00 0.00 0.23 0.00 0.00 176.35 176.46 3ie1 n ALA 21 N 4.56 0.00 -1.21 4.21 0.00 -0.73 -1.93 120.51 125.41 3ie1 n ALA 21 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.22 3ie1 n ALA 21 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 3ie1 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie1 n GLY 22 N -0.01 0.83 2.03 0.00 0.00 -1.26 -1.01 105.19 105.76 3ie1 n GLY 22 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.83 0.36 3.21 -0.02 0.00 -1.26 -2.79 105.19 103.85 3ie1 n GLY 23 Ca -0.07 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.50 1.03 -0.21 1.61 1.81 -0.18 -4.99 118.95 114.51 3ie1 s ARG 24 Ca 0.00 -1.49 0.00 0.00 -1.72 0.00 0.00 55.73 52.53 3ie1 s ARG 24 Cb 0.00 -0.13 0.05 0.00 -0.45 0.00 0.00 34.95 34.43 3ie1 s ARG 24 CO 0.00 -0.15 -0.06 1.03 -0.68 0.00 0.00 175.30 175.44 3ie1 s ARG 25 N -3.94 1.65 -0.11 3.54 0.52 -1.26 -1.78 118.95 117.57 3ie1 s ARG 25 Ca 0.22 -0.84 0.03 0.00 -0.52 0.00 0.00 55.73 54.62 3ie1 s ARG 25 Cb 0.06 -2.41 -0.00 0.00 0.52 0.00 0.00 34.95 33.12 3ie1 s ARG 25 CO 0.02 -0.52 -0.20 0.08 0.02 0.00 0.00 175.30 174.70 3ie1 s VAL 26 N 1.46 2.38 -0.49 3.52 1.01 -0.28 -0.17 120.40 127.83 3ie1 s VAL 26 Ca -0.03 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 3ie1 s VAL 26 Cb -0.17 -1.94 0.07 0.00 0.00 0.00 0.00 36.38 34.33 3ie1 s VAL 26 CO -0.07 0.55 0.47 -0.22 0.00 0.00 0.00 175.10 175.83 3ie1 s LEU 27 N 0.39 5.48 -0.62 3.92 1.98 -0.53 0.13 118.68 129.44 3ie1 s LEU 27 Ca -0.15 -1.25 -0.27 0.00 -2.89 0.00 0.00 54.13 49.57 3ie1 s LEU 27 Cb -0.17 -2.26 0.03 0.00 0.66 0.00 0.00 46.19 44.46 3ie1 s LEU 27 CO 0.07 -0.74 1.17 -0.76 -1.89 0.00 0.00 176.35 174.20 3ie1 s LEU 28 N 1.92 3.51 0.23 -0.68 1.02 0.47 -1.71 118.68 123.45 3ie1 s LEU 28 Ca 0.07 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.09 3ie1 s LEU 28 Cb -0.23 -2.95 0.00 0.00 0.02 0.00 0.00 46.19 43.03 3ie1 s LEU 28 CO 0.08 -1.53 0.00 0.47 0.02 0.00 0.00 176.35 175.39 3ie1 n ASP 29 N 8.49 -3.78 -3.15 2.29 8.00 0.99 -1.61 116.55 127.78 3ie1 n ASP 29 Ca 0.06 0.67 -0.20 0.00 0.71 0.00 0.00 54.79 56.03 3ie1 n ASP 29 Cb 0.49 -1.48 -0.04 0.00 -0.02 0.00 0.00 41.12 40.07 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 -1.78 1.62 0.19 0.00 0.00 0.22 -1.54 107.32 106.04 3ie1 s GLY 31 Ca 0.37 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 44.35 3ie1 s GLY 31 CO -0.10 -0.48 0.28 -3.16 0.00 0.00 0.00 173.10 169.64 3ie1 s MET 32 N -4.99 3.32 0.02 2.90 0.23 -1.16 -3.92 119.30 115.70 3ie1 s MET 32 Ca 0.55 -0.73 -0.18 0.00 -1.03 0.00 0.00 55.69 54.29 3ie1 s MET 32 Cb -0.11 -2.86 -0.06 0.00 -1.53 0.00 0.00 34.83 30.27 3ie1 s MET 32 CO 0.44 0.47 0.52 -0.06 -2.03 0.00 0.00 175.02 174.36 3ie1 s PHE 33 N -1.86 3.74 0.22 3.16 0.08 -1.26 0.69 117.98 122.74 3ie1 s PHE 33 Ca 0.34 1.15 0.03 0.00 0.12 0.00 0.00 56.93 58.57 3ie1 s PHE 33 Cb -0.10 -2.46 -0.05 0.00 -0.57 0.00 0.00 43.02 39.84 3ie1 s PHE 33 CO 0.28 0.54 0.01 -0.65 -0.10 0.00 0.00 175.22 175.29 3ie1 s GLN 34 N -0.83 1.28 4.86 0.44 -0.21 -1.26 -3.72 119.66 120.22 3ie1 s GLN 34 Ca 0.27 -1.64 0.00 0.00 0.02 0.00 0.00 55.36 54.01 3ie1 s GLN 34 Cb -0.18 -0.48 0.00 0.00 1.00 0.00 0.00 33.01 33.35 3ie1 s GLN 34 CO 0.16 -0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.62 3ie1 n GLY 35 N -0.37 1.51 1.98 3.09 0.00 -1.26 -3.37 105.19 106.77 3ie1 n GLY 35 Ca -0.05 -0.68 -0.05 0.00 0.00 0.00 0.00 46.02 45.24 3ie1 n GLY 35 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ie1 n LYS 36 N 12.57 1.07 0.00 1.61 -0.00 -1.26 -1.36 118.16 130.79 3ie1 n LYS 36 Ca 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 58.31 57.90 3ie1 n LYS 36 Cb 0.00 -1.58 0.00 0.00 -0.00 0.00 0.00 35.03 33.45 3ie1 n LYS 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3ie1 n GLU 37 N 2.30 0.18 -0.28 -1.58 -0.58 -1.22 -4.96 120.64 114.50 3ie1 n GLU 37 Ca 0.18 0.00 0.22 0.00 -0.42 0.00 0.00 57.16 57.14 3ie1 n GLU 37 Cb 0.50 -0.04 0.35 0.00 -0.57 0.00 0.00 31.44 31.69 3ie1 n GLU 37 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3ie1 n GLU 38 N -0.30 -0.01 0.25 3.49 0.00 -0.46 0.05 120.64 123.66 3ie1 n GLU 38 Ca 0.00 0.52 0.12 0.00 0.00 0.00 0.00 57.16 57.81 3ie1 n GLU 38 Cb 0.00 -1.14 0.60 0.00 0.00 0.00 0.00 31.44 30.90 3ie1 n GLU 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ie1 h ALA 39 N 0.56 1.09 -0.29 4.31 0.00 -1.83 -3.08 119.26 120.01 3ie1 h ALA 39 Ca 0.42 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3ie1 h ALA 39 Cb 1.57 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 3ie1 h ALA 39 CO -0.08 0.19 0.19 0.00 0.00 0.00 0.00 179.25 179.55 3ie1 h ARG 40 N 0.00 0.30 0.00 0.00 2.47 -0.72 -1.94 114.38 114.48 3ie1 h ARG 40 Ca -0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 3ie1 h ARG 40 Cb 0.57 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 3ie1 h ARG 40 CO 0.02 0.20 0.23 0.09 0.56 0.00 0.00 179.97 181.07 3ie1 n ASN 41 N -4.49 0.23 -0.45 7.04 5.03 -1.17 0.20 115.26 121.65 3ie1 n ASN 41 Ca 0.02 0.48 0.10 0.00 0.87 0.00 0.00 54.58 56.06 3ie1 n ASN 41 Cb 0.13 -0.46 -0.01 0.00 -1.02 0.00 0.00 39.78 38.43 3ie1 n ASN 41 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3ie1 n HIS 42 N -1.79 0.00 -3.75 3.10 8.25 -0.73 -4.90 115.22 115.40 3ie1 n HIS 42 Ca -0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 3ie1 n HIS 42 Cb 0.24 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.31 3ie1 n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ie1 s ALA 43 N -2.31 3.86 0.87 -1.41 0.00 0.54 -5.06 121.76 118.25 3ie1 s ALA 43 Ca 0.17 -0.64 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 3ie1 s ALA 43 Cb 0.17 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 3ie1 s ALA 43 CO 0.53 0.72 0.24 -0.35 0.00 0.00 0.00 175.76 176.89 3ie1 n PRO 44 N 0.22 -0.05 -0.03 0.00 -0.04 -1.26 -4.92 135.00 128.92 3ie1 n PRO 44 Ca -0.04 0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.33 3ie1 n PRO 44 Cb 0.52 -1.69 -0.06 0.00 -0.04 0.00 0.00 33.50 32.22 3ie1 n PRO 44 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3ie1 h PHE 45 N -1.06 0.20 0.00 0.54 0.04 -1.97 -3.47 116.94 111.22 3ie1 h PHE 45 Ca -0.44 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.31 3ie1 h PHE 45 Cb 1.31 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.41 3ie1 h PHE 45 CO 0.34 0.36 0.00 0.41 -0.60 0.00 0.00 178.31 178.82 3ie1 n GLY 46 N -0.49 0.91 3.28 -1.45 0.00 -1.26 -4.95 105.19 101.24 3ie1 n GLY 46 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.73 -0.08 -0.63 1.61 -0.71 -1.26 -5.12 117.98 110.07 3ie1 s PHE 47 Ca 0.00 -0.26 -0.27 0.00 -1.04 0.00 0.00 56.93 55.36 3ie1 s PHE 47 Cb 0.00 0.15 0.03 0.00 -1.21 0.00 0.00 43.02 41.99 3ie1 s PHE 47 CO 0.00 -0.64 1.17 0.34 -1.34 0.00 0.00 175.22 174.75 3ie1 s ASP 48 N -2.77 6.34 0.57 1.98 -1.08 -1.26 -4.89 116.67 115.56 3ie1 s ASP 48 Ca 0.03 -0.17 0.31 0.00 -0.52 0.00 0.00 52.55 52.19 3ie1 s ASP 48 Cb 0.03 -2.53 1.45 0.00 -1.46 0.00 0.00 42.92 40.40 3ie1 s ASP 48 CO -0.11 -1.54 1.84 1.55 0.52 0.00 0.00 175.17 177.43 3ie1 h PRO 49 N 9.65 0.00 0.00 4.34 0.13 -1.91 0.49 132.00 144.69 3ie1 h PRO 49 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3ie1 h PRO 49 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3ie1 h PRO 49 CO 1.20 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.60 3ie1 n LYS 50 N -3.92 0.13 -0.11 0.86 5.02 -1.26 -2.88 118.16 116.01 3ie1 n LYS 50 Ca 0.15 0.06 0.10 0.00 -2.02 0.00 0.00 58.31 56.60 3ie1 n LYS 50 Cb 0.90 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 34.56 3ie1 n LYS 50 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ie1 n GLU 51 N -1.42 2.14 -3.01 1.97 -0.58 0.17 -4.94 120.64 114.98 3ie1 n GLU 51 Ca 0.08 -1.98 -0.40 0.00 -0.42 0.00 0.00 57.16 54.45 3ie1 n GLU 51 Cb 0.26 -1.43 -0.05 0.00 -0.57 0.00 0.00 31.44 29.66 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 -1.47 4.75 -0.02 2.62 1.01 -1.14 -4.72 120.40 121.43 3ie1 s VAL 52 Ca 0.30 1.59 0.07 0.00 0.00 0.00 0.00 61.98 63.93 3ie1 s VAL 52 Cb 0.19 -4.09 -0.24 0.00 0.00 0.00 0.00 36.38 32.23 3ie1 s VAL 52 CO 0.27 0.37 0.75 0.44 0.00 0.00 0.00 175.10 176.93 3ie1 h ASP 53 N 5.67 0.12 -3.53 3.32 3.32 -0.91 -3.47 116.42 120.94 3ie1 h ASP 53 Ca -0.44 -0.21 0.15 0.00 0.02 0.00 0.00 57.03 56.55 3ie1 h ASP 53 Cb 1.20 -0.04 -0.26 0.00 0.22 0.00 0.00 39.33 40.46 3ie1 h ASP 53 CO 0.71 1.18 0.71 0.00 -1.72 0.00 0.00 179.24 180.12 3ie1 s ALA 54 N -2.61 -2.03 0.06 3.45 0.00 -1.13 -4.51 121.76 114.99 3ie1 s ALA 54 Ca -0.07 1.73 0.09 0.00 0.00 0.00 0.00 51.96 53.72 3ie1 s ALA 54 Cb 0.08 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 3ie1 s ALA 54 CO 0.82 -0.26 -0.25 0.54 0.00 0.00 0.00 175.76 176.61 3ie1 s VAL 55 N -0.88 2.26 -0.10 0.00 0.11 -1.00 -1.45 120.40 119.34 3ie1 s VAL 55 Ca 0.03 -1.42 0.03 0.00 -2.93 0.00 0.00 61.98 57.69 3ie1 s VAL 55 Cb -0.01 -1.91 0.01 0.00 -1.53 0.00 0.00 36.38 32.93 3ie1 s VAL 55 CO -0.04 0.32 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.08 3ie1 s LEU 56 N -1.40 1.97 -0.22 2.54 1.02 -0.69 -0.08 118.68 121.81 3ie1 s LEU 56 Ca 0.13 -0.50 -0.06 0.00 0.02 0.00 0.00 54.13 53.72 3ie1 s LEU 56 Cb -0.10 -1.27 -0.02 0.00 0.02 0.00 0.00 46.19 44.82 3ie1 s LEU 56 CO 0.03 0.11 0.01 -0.76 0.02 0.00 0.00 176.35 175.76 3ie1 s LEU 57 N 0.53 3.24 0.26 1.79 1.02 -0.34 -0.01 118.68 125.17 3ie1 s LEU 57 Ca -0.15 -0.24 0.25 0.00 0.02 0.00 0.00 54.13 54.00 3ie1 s LEU 57 Cb -0.17 -1.84 0.95 0.00 0.02 0.00 0.00 46.19 45.15 3ie1 s LEU 57 CO 0.05 0.01 1.74 0.35 0.02 0.00 0.00 176.35 178.53 3ie1 n THR 58 N 4.59 0.76 0.00 5.49 -2.24 -1.26 -4.53 114.28 117.08 3ie1 n THR 58 Ca -0.17 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3ie1 n THR 58 Cb 0.51 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 3ie1 n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ie1 n HIS 59 N -2.29 0.00 0.35 4.78 1.44 -1.26 0.70 115.22 118.93 3ie1 n HIS 59 Ca 0.03 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.85 3ie1 n HIS 59 Cb 0.29 0.00 0.49 0.00 0.12 0.00 0.00 29.99 30.89 3ie1 n HIS 59 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3ie1 n ALA 60 N -0.31 1.53 -1.64 1.59 0.00 -1.26 -4.61 120.51 115.80 3ie1 n ALA 60 Ca 0.00 0.10 -0.53 0.00 0.00 0.00 0.00 53.44 53.00 3ie1 n ALA 60 Cb 0.00 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 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 -2.18 1.80 -0.08 0.00 8.25 -1.26 -4.68 115.22 117.07 3ie1 n HIS 61 Ca 0.01 0.54 0.24 0.00 -0.26 0.00 0.00 57.72 58.26 3ie1 n HIS 61 Cb 0.19 -2.41 0.71 0.00 1.12 0.00 0.00 29.99 29.59 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 5.84 0.00 -1.31 2.41 5.85 -1.95 0.23 115.31 126.38 3ie1 h LEU 62 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3ie1 h LEU 62 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3ie1 h LEU 62 CO 0.86 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 178.06 3ie1 n ASP 63 N -4.31 1.73 0.00 1.25 5.75 -1.26 0.22 116.55 119.93 3ie1 n ASP 63 Ca 0.14 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 3ie1 n ASP 63 Cb 0.77 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 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 0.09 0.00 -0.06 2.11 8.25 0.63 -2.60 115.22 123.63 3ie1 n HIS 64 Ca 0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.44 3ie1 n HIS 64 Cb 0.37 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.41 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 -0.42 0.79 -0.00 1.59 0.31 -0.05 0.38 118.33 120.93 3ie1 n VAL 65 Ca 0.00 -0.40 -0.00 0.00 -0.01 0.00 0.00 64.34 63.93 3ie1 n VAL 65 Cb 0.03 -0.84 -0.00 0.00 -0.91 0.00 0.00 33.84 32.12 3ie1 n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ie1 n GLY 66 N 2.54 -0.76 0.00 2.92 0.00 0.61 0.06 105.19 110.55 3ie1 n GLY 66 Ca -0.21 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.02 3ie1 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie1 n ARG 67 N -2.26 0.04 -0.32 1.61 1.74 -0.59 -4.06 116.66 112.82 3ie1 n ARG 67 Ca 0.00 0.23 0.03 0.00 -0.77 0.00 0.00 57.85 57.34 3ie1 n ARG 67 Cb 0.00 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.03 3ie1 n ARG 67 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3ie1 n LEU 68 N -1.46 -0.41 0.23 0.55 7.94 0.11 0.90 117.00 124.85 3ie1 n LEU 68 Ca 0.04 1.50 0.16 0.00 -1.11 0.00 0.00 56.01 56.60 3ie1 n LEU 68 Cb 0.16 -0.41 0.70 0.00 0.53 0.00 0.00 43.42 44.40 3ie1 n LEU 68 CO 0.13 -1.41 0.96 1.55 -1.11 0.00 0.00 177.39 177.52 3ie1 h PRO 69 N 0.00 0.00 -0.13 1.96 0.13 -1.79 -2.49 132.00 129.68 3ie1 h PRO 69 Ca 0.37 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.37 3ie1 h PRO 69 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 3ie1 h PRO 69 CO -0.88 0.00 -0.45 -0.22 -0.23 0.00 0.00 178.00 176.22 3ie1 h LYS 70 N 0.00 0.54 -0.50 0.86 3.64 0.23 0.09 116.57 121.43 3ie1 h LYS 70 Ca 0.00 -0.40 0.04 0.00 -1.27 0.00 0.00 60.65 59.02 3ie1 h LYS 70 Cb 0.32 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 3ie1 h LYS 70 CO 0.00 1.02 0.26 1.25 -2.27 0.00 0.00 179.45 179.71 3ie1 h LEU 71 N 0.16 0.38 -1.27 5.20 5.85 -1.13 0.96 115.31 125.45 3ie1 h LEU 71 Ca -0.02 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 3ie1 h LEU 71 Cb 1.07 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3ie1 h LEU 71 CO 0.09 0.27 -0.36 -0.26 -0.34 0.00 0.00 178.44 177.84 3ie1 h PHE 72 N 0.51 0.00 -0.02 1.25 -1.00 -1.43 -1.21 116.94 115.04 3ie1 h PHE 72 Ca 0.22 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.80 3ie1 h PHE 72 Cb 0.11 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 3ie1 h PHE 72 CO -0.10 0.36 -0.85 -0.09 -1.61 0.00 0.00 178.31 176.03 3ie1 h ARG 73 N 0.00 0.28 -0.02 1.51 2.43 0.11 -3.12 114.38 115.56 3ie1 h ARG 73 Ca -0.00 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3ie1 h ARG 73 Cb 0.64 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3ie1 h ARG 73 CO 0.05 0.97 0.00 -1.91 -1.51 0.00 0.00 179.97 177.57 3ie1 n GLU 74 N -3.72 1.15 0.00 0.20 2.13 0.31 -4.90 120.64 115.81 3ie1 n GLU 74 Ca -0.04 -0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.55 3ie1 n GLU 74 Cb 0.78 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 31.11 3ie1 n GLU 74 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ie1 n GLY 75 N 0.93 1.75 3.66 8.31 0.00 -0.98 -4.60 105.19 114.25 3ie1 n GLY 75 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3ie1 n GLY 75 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ie1 s TYR 76 N -1.27 2.01 -0.45 1.61 6.14 -0.50 -4.70 117.35 120.18 3ie1 s TYR 76 Ca 0.00 0.25 0.07 0.00 0.64 0.00 0.00 57.07 58.03 3ie1 s TYR 76 Cb 0.00 -3.90 0.40 0.00 0.42 0.00 0.00 41.96 38.88 3ie1 s TYR 76 CO 0.00 -3.72 1.02 0.54 0.64 0.00 0.00 175.55 174.03 3ie1 n ARG 77 N 7.15 2.87 -2.57 4.97 5.12 -1.26 -4.33 116.66 128.60 3ie1 n ARG 77 Ca 0.17 -4.33 -0.06 0.00 -1.93 0.00 0.00 57.85 51.70 3ie1 n ARG 77 Cb 0.43 -2.06 -0.02 0.00 -1.16 0.00 0.00 32.46 29.66 3ie1 n ARG 77 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ie1 n GLY 78 N -0.31 3.96 3.75 -0.13 0.00 -1.26 -5.15 105.19 106.04 3ie1 n GLY 78 Ca 0.32 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.38 2.24 -0.15 1.61 0.04 -1.26 -4.83 135.00 130.26 3ie1 s PRO 79 Ca 0.03 1.39 -0.04 0.00 0.04 0.00 0.00 61.00 62.42 3ie1 s PRO 79 Cb 0.00 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.73 3ie1 s PRO 79 CO 0.02 -1.69 0.14 0.08 0.04 0.00 0.00 177.00 175.59 3ie1 s VAL 80 N -2.54 -0.19 -0.24 -0.36 1.01 -0.93 -2.37 120.40 114.79 3ie1 s VAL 80 Ca 0.66 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.54 3ie1 s VAL 80 Cb -0.21 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 3ie1 s VAL 80 CO 0.50 -0.15 0.11 -0.31 0.00 0.00 0.00 175.10 175.25 3ie1 s TYR 81 N 2.22 3.21 0.22 5.22 1.51 0.88 0.39 117.35 131.01 3ie1 s TYR 81 Ca 0.04 -0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 55.97 3ie1 s TYR 81 Cb -0.15 -2.23 -0.01 0.00 -0.11 0.00 0.00 41.96 39.46 3ie1 s TYR 81 CO -0.09 -0.08 0.39 0.00 -1.11 0.00 0.00 175.55 174.67 3ie1 s ALA 82 N 1.18 -0.02 0.70 3.71 0.00 -0.94 -1.20 121.76 125.20 3ie1 s ALA 82 Ca 0.06 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 3ie1 s ALA 82 Cb -0.14 1.07 0.01 0.00 0.00 0.00 0.00 23.12 24.06 3ie1 s ALA 82 CO 0.05 -0.78 1.06 0.95 0.00 0.00 0.00 175.76 177.04 3ie1 s THR 83 N -4.02 4.02 0.12 0.00 -4.23 -1.15 -0.81 115.64 109.56 3ie1 s THR 83 Ca 0.23 0.66 -0.30 0.00 -1.18 0.00 0.00 61.69 61.10 3ie1 s THR 83 Cb 0.01 -3.40 -0.08 0.00 1.34 0.00 0.00 72.50 70.37 3ie1 s THR 83 CO 0.07 -0.86 1.59 -0.09 -0.54 0.00 0.00 174.62 174.80 3ie1 h ARG 84 N -0.72 -0.56 -0.85 3.99 9.65 -1.94 0.76 114.38 124.71 3ie1 h ARG 84 Ca -0.44 0.04 0.09 0.00 -1.10 0.00 0.00 59.98 58.57 3ie1 h ARG 84 Cb 1.21 0.13 -0.11 0.00 -1.39 0.00 0.00 29.97 29.80 3ie1 h ARG 84 CO 0.57 -0.37 -0.56 0.00 2.80 0.00 0.00 179.97 182.40 3ie1 h ALA 85 N -0.03 -0.54 -0.06 2.80 0.00 -1.93 0.27 119.26 119.78 3ie1 h ALA 85 Ca 0.04 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3ie1 h ALA 85 Cb 0.65 1.28 -0.05 0.00 0.00 0.00 0.00 17.79 19.67 3ie1 h ALA 85 CO -0.30 -0.96 -0.49 1.15 0.00 0.00 0.00 179.25 178.66 3ie1 h THR 86 N -0.10 0.00 -0.80 0.00 2.02 -1.48 0.16 112.91 112.72 3ie1 h THR 86 Ca 0.16 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.57 3ie1 h THR 86 Cb 0.47 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 3ie1 h THR 86 CO -0.86 0.00 0.89 0.58 0.37 0.00 0.00 175.52 176.50 3ie1 h VAL 87 N -0.57 0.16 0.00 3.16 2.07 0.18 0.38 116.25 121.63 3ie1 h VAL 87 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3ie1 h VAL 87 Cb 0.63 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3ie1 h VAL 87 CO -0.36 0.00 -0.21 -0.07 0.02 0.00 0.00 177.57 176.95 3ie1 h LEU 88 N 0.00 0.00 -1.20 2.57 3.38 0.17 -3.29 115.31 116.94 3ie1 h LEU 88 Ca 0.38 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.64 3ie1 h LEU 88 Cb 2.15 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.78 3ie1 h LEU 88 CO -0.00 0.46 0.65 -0.07 0.09 0.00 0.00 178.44 179.57 3ie1 h LEU 89 N -0.72 0.51 -2.49 1.67 3.38 -0.24 0.49 115.31 117.91 3ie1 h LEU 89 Ca 0.00 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3ie1 h LEU 89 Cb 0.21 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3ie1 h LEU 89 CO 0.00 0.02 -0.02 -0.03 0.09 0.00 0.00 178.44 178.50 3ie1 h MET 90 N 0.40 0.00 0.00 1.13 4.05 -0.43 -0.44 114.93 119.65 3ie1 h MET 90 Ca 0.66 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.08 3ie1 h MET 90 Cb 1.58 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.38 3ie1 h MET 90 CO -0.42 0.02 -0.05 1.49 0.23 0.00 0.00 176.91 178.19 3ie1 h GLU 91 N 0.00 0.00 0.00 0.39 4.81 -0.08 -3.03 114.58 116.67 3ie1 h GLU 91 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ie1 h GLU 91 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3ie1 h GLU 91 CO 0.00 0.00 -0.12 0.82 -0.73 0.00 0.00 179.01 178.98 3ie1 h ILE 92 N 0.00 0.00 -1.16 2.32 2.04 -1.13 -3.29 117.51 116.28 3ie1 h ILE 92 Ca 0.00 -0.28 0.42 0.00 1.00 0.00 0.00 64.86 66.00 3ie1 h ILE 92 Cb 0.89 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.84 3ie1 h ILE 92 CO 0.00 0.00 0.73 0.52 0.00 0.00 0.00 178.15 179.40 3ie1 n VAL 93 N -2.89 -0.26 0.13 1.67 0.31 -0.56 -0.39 118.33 116.33 3ie1 n VAL 93 Ca -0.02 1.66 -0.23 0.00 -0.01 0.00 0.00 64.34 65.74 3ie1 n VAL 93 Cb 0.06 -2.72 -0.16 0.00 -0.91 0.00 0.00 33.84 30.12 3ie1 n VAL 93 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3ie1 h LEU 94 N 0.00 0.75 -0.11 7.52 4.07 -1.72 -3.23 115.31 122.59 3ie1 h LEU 94 Ca 0.78 -0.86 0.03 0.00 0.08 0.00 0.00 57.88 57.92 3ie1 h LEU 94 Cb 2.43 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 43.90 3ie1 h LEU 94 CO -0.48 1.68 -0.08 -0.33 -1.08 0.00 0.00 178.44 178.15 3ie1 h GLU 95 N 0.13 -0.09 0.00 1.13 4.39 -0.79 0.41 114.58 119.76 3ie1 h GLU 95 Ca -0.26 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.45 3ie1 h GLU 95 Cb 2.14 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.81 3ie1 h GLU 95 CO 0.25 -0.06 0.02 -3.47 -1.16 0.00 0.00 179.01 174.59 3ie1 n ASP 96 N -5.22 0.00 0.05 1.42 -0.08 -0.90 -0.42 116.55 111.40 3ie1 n ASP 96 Ca -0.04 0.43 0.05 0.00 -1.51 0.00 0.00 54.79 53.72 3ie1 n ASP 96 Cb 0.15 -0.43 -0.07 0.00 2.34 0.00 0.00 41.12 43.11 3ie1 n ASP 96 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ie1 n ALA 97 N -1.43 2.22 0.54 -1.67 0.00 0.12 -1.56 120.51 118.73 3ie1 n ALA 97 Ca 0.00 -0.46 0.13 0.00 0.00 0.00 0.00 53.44 53.10 3ie1 n ALA 97 Cb 0.02 -0.95 0.45 0.00 0.00 0.00 0.00 19.45 18.96 3ie1 n ALA 97 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ie1 n LEU 98 N -2.74 0.72 0.00 0.00 4.77 0.44 -4.06 117.00 116.14 3ie1 n LEU 98 Ca -0.07 0.61 -0.02 0.00 -0.03 0.00 0.00 56.01 56.50 3ie1 n LEU 98 Cb 0.72 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3ie1 n LEU 98 CO 0.42 -0.33 -0.18 0.29 -1.33 0.00 0.00 177.39 176.25 3ie1 n LYS 99 N -2.22 0.14 -1.17 3.23 5.02 -1.21 -4.79 118.16 117.16 3ie1 n LYS 99 Ca 0.04 0.06 -0.35 0.00 -2.02 0.00 0.00 58.31 56.04 3ie1 n LYS 99 Cb 0.34 -0.70 -0.03 0.00 -0.02 0.00 0.00 35.03 34.63 3ie1 n LYS 99 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3ie1 n VAL 100 N -3.59 3.77 -3.75 -0.18 0.31 -0.60 -4.81 118.33 109.48 3ie1 n VAL 100 Ca -0.04 -2.29 -0.13 0.00 -0.01 0.00 0.00 64.34 61.88 3ie1 n VAL 100 Cb 0.14 -2.49 -0.13 0.00 -0.91 0.00 0.00 33.84 30.46 3ie1 n VAL 100 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3ie1 s MET 101 N 2.57 0.22 0.00 5.55 0.00 -1.26 -4.79 119.30 121.58 3ie1 s MET 101 Ca 0.61 0.44 0.00 0.00 0.00 0.00 0.00 55.69 56.74 3ie1 s MET 101 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 34.83 34.95 3ie1 s MET 101 CO -0.05 -0.12 0.12 -0.40 0.00 0.00 0.00 175.02 174.58 3ie1 n ASP 102 N 3.77 0.00 -4.48 1.11 5.75 -1.26 -4.66 116.55 116.78 3ie1 n ASP 102 Ca -0.21 0.12 -0.43 0.00 -0.01 0.00 0.00 54.79 54.26 3ie1 n ASP 102 Cb 0.55 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.59 3ie1 n ASP 102 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3ie1 s GLU 103 N -0.25 3.21 -0.28 0.11 0.41 -1.26 -5.02 118.70 115.62 3ie1 s GLU 103 Ca 0.00 -0.61 -0.28 0.00 -0.41 0.00 0.00 54.97 53.67 3ie1 s GLU 103 Cb 0.00 -4.13 0.01 0.00 -1.78 0.00 0.00 34.13 28.23 3ie1 s GLU 103 CO 0.00 -1.55 1.01 -1.25 -0.49 0.00 0.00 175.26 172.98 3ie1 s PRO 104 N 3.68 4.13 0.00 0.39 0.04 -1.26 -4.90 135.00 137.08 3ie1 s PRO 104 Ca 0.24 1.11 0.22 0.00 0.04 0.00 0.00 61.00 62.61 3ie1 s PRO 104 Cb -0.16 -3.69 0.56 0.00 0.04 0.00 0.00 34.50 31.25 3ie1 s PRO 104 CO 0.14 -0.75 1.48 1.97 0.04 0.00 0.00 177.00 179.88 3ie1 n PHE 105 N 6.53 0.75 -3.67 0.56 1.16 -1.26 -4.89 117.46 116.64 3ie1 n PHE 105 Ca 0.11 -0.38 -0.14 0.00 -1.87 0.00 0.00 57.45 55.17 3ie1 n PHE 105 Cb 0.47 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.26 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 -1.25 -0.66 0.01 2.97 -0.71 -1.26 -4.83 117.98 112.25 3ie1 s PHE 106 Ca 0.43 1.61 -0.00 0.00 -1.04 0.00 0.00 56.93 57.93 3ie1 s PHE 106 Cb 0.23 0.23 0.00 0.00 -1.21 0.00 0.00 43.02 42.27 3ie1 s PHE 106 CO 0.31 -0.32 0.01 0.41 -1.34 0.00 0.00 175.22 174.29 3ie1 n GLY 107 N 2.78 -0.77 0.12 1.99 0.00 -1.26 -4.96 105.19 103.10 3ie1 n GLY 107 Ca -0.14 -1.73 -0.00 0.00 0.00 0.00 0.00 46.02 44.16 3ie1 n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ie1 h PRO 108 N 0.00 0.00 0.00 1.61 0.13 -2.01 -3.17 132.00 128.56 3ie1 h PRO 108 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3ie1 h PRO 108 Cb 0.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.14 3ie1 h PRO 108 CO 0.00 0.64 0.00 1.05 -0.23 0.00 0.00 178.00 179.46 3ie1 h GLU 109 N 0.00 0.00 0.00 0.86 9.09 -2.00 -2.29 114.58 120.24 3ie1 h GLU 109 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 3ie1 h GLU 109 Cb 1.41 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.51 3ie1 h GLU 109 CO 0.08 0.00 -0.18 -0.25 0.05 0.00 0.00 179.01 178.71 3ie1 n ASP 110 N -2.90 0.19 -0.01 3.06 8.00 -1.20 -2.88 116.55 120.81 3ie1 n ASP 110 Ca 0.02 0.24 -0.01 0.00 0.71 0.00 0.00 54.79 55.74 3ie1 n ASP 110 Cb 0.37 -0.24 -0.12 0.00 -0.02 0.00 0.00 41.12 41.11 3ie1 n ASP 110 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3ie1 n VAL 111 N -1.51 1.08 -0.03 2.53 0.31 -0.88 -3.32 118.33 116.51 3ie1 n VAL 111 Ca 0.06 -0.71 -0.13 0.00 -0.01 0.00 0.00 64.34 63.56 3ie1 n VAL 111 Cb 0.34 -0.57 -0.08 0.00 -0.91 0.00 0.00 33.84 32.62 3ie1 n VAL 111 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3ie1 h GLU 112 N 0.00 0.16 0.07 5.55 4.81 -1.44 -1.75 114.58 121.97 3ie1 h GLU 112 Ca -0.25 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3ie1 h GLU 112 Cb 1.69 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.06 3ie1 h GLU 112 CO 0.04 0.51 -0.14 1.49 -0.73 0.00 0.00 179.01 180.18 3ie1 h GLU 113 N -0.20 -0.21 -0.85 1.92 4.57 -1.68 0.19 114.58 118.32 3ie1 h GLU 113 Ca 0.02 0.01 0.21 0.00 -1.18 0.00 0.00 59.36 58.43 3ie1 h GLU 113 Cb 0.45 0.05 -0.13 0.00 -0.16 0.00 0.00 28.75 28.96 3ie1 h GLU 113 CO 0.01 -0.14 0.27 0.00 -1.18 0.00 0.00 179.01 177.97 3ie1 h ALA 114 N -1.38 1.25 0.00 2.92 0.00 -1.62 1.12 119.26 121.55 3ie1 h ALA 114 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ie1 h ALA 114 Cb 0.21 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ie1 h ALA 114 CO -0.05 -0.40 0.00 -0.07 0.00 0.00 0.00 179.25 178.73 3ie1 h LEU 115 N 0.28 0.00 -1.06 0.00 3.38 -0.93 -2.68 115.31 114.30 3ie1 h LEU 115 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 3ie1 h LEU 115 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3ie1 h LEU 115 CO -0.58 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.56 3ie1 n GLY 116 N 0.22 0.15 0.06 0.83 0.00 0.38 -3.79 105.19 103.05 3ie1 n GLY 116 Ca 0.02 -0.45 0.01 0.00 0.00 0.00 0.00 46.02 45.60 3ie1 n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ie1 n HIS 117 N 0.28 0.01 -2.09 1.61 8.25 -0.97 -5.02 115.22 117.29 3ie1 n HIS 117 Ca 0.18 -0.10 -0.42 0.00 -0.26 0.00 0.00 57.72 57.12 3ie1 n HIS 117 Cb 0.36 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.43 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 -0.29 4.31 -0.08 2.41 1.43 -1.22 -2.18 118.68 123.06 3ie1 s LEU 118 Ca 0.02 2.18 0.03 0.00 -1.03 0.00 0.00 54.13 55.33 3ie1 s LEU 118 Cb 0.01 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.67 3ie1 s LEU 118 CO 0.02 -0.85 -0.17 -0.13 0.23 0.00 0.00 176.35 175.45 3ie1 s ARG 119 N 3.39 2.82 0.37 1.70 0.52 0.16 -4.94 118.95 122.97 3ie1 s ARG 119 Ca 0.69 -0.75 -0.27 0.00 -0.52 0.00 0.00 55.73 54.88 3ie1 s ARG 119 Cb -0.32 -2.40 -0.09 0.00 0.52 0.00 0.00 34.95 32.65 3ie1 s ARG 119 CO 0.27 0.41 1.19 -1.25 0.02 0.00 0.00 175.30 175.95 3ie1 s PRO 120 N -0.19 4.21 -0.13 3.54 0.04 -1.26 -2.21 135.00 138.99 3ie1 s PRO 120 Ca -0.01 1.92 -0.06 0.00 0.04 0.00 0.00 61.00 62.89 3ie1 s PRO 120 Cb -0.13 -2.84 0.06 0.00 0.04 0.00 0.00 34.50 31.63 3ie1 s PRO 120 CO 0.03 -0.21 0.30 -1.17 0.04 0.00 0.00 177.00 175.98 3ie1 s LEU 121 N -2.18 -0.01 0.39 -3.56 2.96 0.01 -4.82 118.68 111.47 3ie1 s LEU 121 Ca 0.53 0.65 0.08 0.00 -0.22 0.00 0.00 54.13 55.17 3ie1 s LEU 121 Cb -0.33 0.89 -0.06 0.00 0.50 0.00 0.00 46.19 47.19 3ie1 s LEU 121 CO 0.42 -0.20 0.12 -1.61 -1.32 0.00 0.00 176.35 173.76 3ie1 s GLU 122 N 1.80 2.16 0.01 1.98 0.41 -1.26 -2.91 118.70 120.88 3ie1 s GLU 122 Ca -0.05 -1.85 -0.36 0.00 -0.41 0.00 0.00 54.97 52.29 3ie1 s GLU 122 Cb -0.11 -1.93 -0.15 0.00 -1.78 0.00 0.00 34.13 30.17 3ie1 s GLU 122 CO -0.10 -0.04 1.54 0.66 -0.49 0.00 0.00 175.26 176.84 3ie1 n TYR 123 N -1.13 1.90 0.00 1.61 4.01 -1.26 -1.73 117.16 120.56 3ie1 n TYR 123 Ca -0.02 0.45 0.00 0.00 -0.16 0.00 0.00 57.90 58.17 3ie1 n TYR 123 Cb 0.64 -2.45 0.00 0.00 -0.31 0.00 0.00 39.34 37.23 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 3.29 2.55 3.82 2.72 0.00 -1.15 -4.99 105.19 111.44 3ie1 n GLY 124 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3ie1 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie1 s GLU 125 N -0.29 3.49 -0.08 1.61 2.02 -0.70 -4.98 118.70 119.75 3ie1 s GLU 125 Ca 0.00 1.06 0.01 0.00 0.02 0.00 0.00 54.97 56.06 3ie1 s GLU 125 Cb 0.00 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 3ie1 s GLU 125 CO 0.00 -0.66 -0.10 -1.58 0.02 0.00 0.00 175.26 172.94 3ie1 s TRP 126 N -2.63 2.86 -0.01 1.61 0.52 -1.26 -4.44 118.94 115.59 3ie1 s TRP 126 Ca 0.61 -0.18 0.02 0.00 0.02 0.00 0.00 56.10 56.56 3ie1 s TRP 126 Cb -0.13 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.41 3ie1 s TRP 126 CO 0.39 0.15 -0.03 -1.17 0.02 0.00 0.00 176.95 176.31 3ie1 s LEU 127 N -0.43 3.37 -0.10 2.99 2.96 0.20 -4.95 118.68 122.72 3ie1 s LEU 127 Ca 0.06 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 3ie1 s LEU 127 Cb -0.12 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.68 3ie1 s LEU 127 CO 0.02 0.29 -0.08 -0.13 -1.32 0.00 0.00 176.35 175.13 3ie1 s ARG 128 N -1.41 1.55 -0.11 1.98 0.52 -1.26 -0.86 118.95 119.36 3ie1 s ARG 128 Ca 0.18 -0.28 -0.00 0.00 -0.52 0.00 0.00 55.73 55.10 3ie1 s ARG 128 Cb -0.11 -1.54 0.02 0.00 0.52 0.00 0.00 34.95 33.84 3ie1 s ARG 128 CO 0.08 -0.21 -0.07 -0.51 0.02 0.00 0.00 175.30 174.61 3ie1 s LEU 129 N 1.51 1.15 0.00 2.53 1.43 -0.92 -4.98 118.68 119.40 3ie1 s LEU 129 Ca 0.01 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3ie1 s LEU 129 Cb -0.13 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.28 3ie1 s LEU 129 CO -0.06 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.01 3ie1 n GLY 130 N 4.92 2.75 1.75 -3.19 0.00 -1.26 -0.01 105.19 110.14 3ie1 n GLY 130 Ca -0.12 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 8.72 4.30 -2.71 4.61 0.00 -1.12 -4.90 120.51 129.40 3ie1 n ALA 131 Ca 0.00 -1.82 -0.33 0.00 0.00 0.00 0.00 53.44 51.28 3ie1 n ALA 131 Cb 0.00 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.21 3.66 -0.20 0.00 2.96 0.99 -4.45 118.68 119.43 3ie1 s LEU 132 Ca 0.40 0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 54.40 3ie1 s LEU 132 Cb 0.33 -2.03 0.05 0.00 0.50 0.00 0.00 46.19 45.03 3ie1 s LEU 132 CO 0.09 0.31 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.93 3ie1 s SER 133 N -1.42 3.28 0.06 3.68 0.01 -0.42 -2.16 113.70 116.73 3ie1 s SER 133 Ca 0.19 -0.89 0.07 0.00 1.31 0.00 0.00 55.95 56.63 3ie1 s SER 133 Cb -0.12 -1.04 -0.04 0.00 0.21 0.00 0.00 66.02 65.04 3ie1 s SER 133 CO 0.09 -0.20 -0.16 -0.76 0.41 0.00 0.00 173.24 172.62 3ie1 s LEU 134 N 1.53 2.76 -0.23 2.44 1.43 -0.04 -1.43 118.68 125.13 3ie1 s LEU 134 Ca -0.02 -0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 3ie1 s LEU 134 Cb -0.17 -1.60 0.06 0.00 0.03 0.00 0.00 46.19 44.51 3ie1 s LEU 134 CO -0.07 0.23 0.60 0.00 0.23 0.00 0.00 176.35 177.34 3ie1 s ALA 135 N -1.03 -1.53 0.57 4.21 0.00 -0.03 -0.63 121.76 123.32 3ie1 s ALA 135 Ca 0.17 1.85 -0.17 0.00 0.00 0.00 0.00 51.96 53.81 3ie1 s ALA 135 Cb -0.11 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 3ie1 s ALA 135 CO 0.08 -0.31 1.05 -0.06 0.00 0.00 0.00 175.76 176.53 3ie1 s PHE 136 N 0.74 3.01 0.13 0.00 0.08 -1.26 -0.21 117.98 120.46 3ie1 s PHE 136 Ca -0.03 1.52 0.04 0.00 0.12 0.00 0.00 56.93 58.58 3ie1 s PHE 136 Cb -0.05 -3.01 -0.04 0.00 -0.57 0.00 0.00 43.02 39.35 3ie1 s PHE 136 CO -0.05 -1.03 -0.10 0.20 -0.10 0.00 0.00 175.22 174.14 3ie1 s GLY 137 N -2.65 0.97 0.08 4.36 0.00 -0.29 -2.93 107.32 106.87 3ie1 s GLY 137 Ca 0.64 -1.39 -0.31 0.00 0.00 0.00 0.00 44.72 43.67 3ie1 s GLY 137 CO 0.33 -1.48 1.23 1.62 0.00 0.00 0.00 173.10 174.80 3ie1 s GLN 138 N -3.45 4.42 -0.00 2.90 2.00 -1.26 -1.82 119.66 122.45 3ie1 s GLN 138 Ca 0.13 1.82 0.00 0.00 -2.00 0.00 0.00 55.36 55.31 3ie1 s GLN 138 Cb 0.01 -3.32 -0.00 0.00 0.80 0.00 0.00 33.01 30.50 3ie1 s GLN 138 CO -0.00 -0.27 0.00 0.00 -0.50 0.00 0.00 175.29 174.52 3ie1 n ALA 139 N 3.80 2.00 -3.97 1.58 0.00 -1.10 -0.32 120.51 122.51 3ie1 n ALA 139 Ca 0.09 -0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 3ie1 n ALA 139 Cb 0.46 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 2.50 -0.90 0.00 0.00 0.00 -1.26 -2.09 105.19 103.44 3ie1 n GLY 140 Ca -0.00 0.38 -0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -4.71 0.00 -3.53 1.61 -0.00 -1.26 -3.69 115.22 103.63 3ie1 n HIS 141 Ca -0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.52 3ie1 n HIS 141 Cb 0.57 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.99 30.53 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 -3.65 -0.39 -0.34 0.27 1.43 -1.26 -4.97 118.68 109.78 3ie1 s LEU 142 Ca -0.00 -0.08 -0.28 0.00 -1.03 0.00 0.00 54.13 52.74 3ie1 s LEU 142 Cb 0.00 2.22 -0.06 0.00 0.03 0.00 0.00 46.19 48.38 3ie1 s LEU 142 CO 0.02 -0.78 2.31 -2.65 0.23 0.00 0.00 176.35 175.47 3ie1 n PRO 143 N -0.32 1.56 0.00 1.29 -0.02 -1.26 -0.65 135.00 135.60 3ie1 n PRO 143 Ca -0.10 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3ie1 n PRO 143 Cb 0.62 -3.28 0.00 0.00 -0.02 0.00 0.00 33.50 30.82 3ie1 n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ie1 n GLY 144 N 5.90 0.72 3.75 -1.23 0.00 -1.26 -3.73 105.19 109.34 3ie1 n GLY 144 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 3ie1 n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ie1 n SER 145 N 0.00 3.50 -4.04 1.61 3.41 0.18 -4.59 113.62 113.69 3ie1 n SER 145 Ca 0.00 1.21 -0.10 0.00 -0.26 0.00 0.00 58.87 59.72 3ie1 n SER 145 Cb 0.00 -1.58 -0.08 0.00 -0.26 0.00 0.00 64.21 62.30 3ie1 n SER 145 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ie1 s ALA 146 N -0.94 0.30 -0.10 7.33 0.00 0.22 -2.71 121.76 125.86 3ie1 s ALA 146 Ca 0.56 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 51.41 3ie1 s ALA 146 Cb -0.51 0.99 0.02 0.00 0.00 0.00 0.00 23.12 23.62 3ie1 s ALA 146 CO 0.61 -0.65 -0.11 -0.59 0.00 0.00 0.00 175.76 175.02 3ie1 s PHE 147 N -4.02 1.61 0.04 0.00 -0.71 -0.75 -4.38 117.98 109.76 3ie1 s PHE 147 Ca 0.23 -0.73 -0.30 0.00 -1.04 0.00 0.00 56.93 55.08 3ie1 s PHE 147 Cb 0.04 -1.23 -0.05 0.00 -1.21 0.00 0.00 43.02 40.56 3ie1 s PHE 147 CO 0.04 -0.43 1.19 0.08 -1.34 0.00 0.00 175.22 174.75 3ie1 s VAL 148 N 1.19 4.12 -0.16 -2.49 1.01 -1.03 -1.14 120.40 121.90 3ie1 s VAL 148 Ca -0.04 1.51 -0.03 0.00 0.00 0.00 0.00 61.98 63.42 3ie1 s VAL 148 Cb -0.14 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 3ie1 s VAL 148 CO -0.03 0.10 -0.04 -0.69 0.00 0.00 0.00 175.10 174.44 3ie1 s VAL 149 N 1.22 3.80 -0.06 2.92 1.01 0.71 -0.65 120.40 129.35 3ie1 s VAL 149 Ca 0.58 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3ie1 s VAL 149 Cb -0.28 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.46 3ie1 s VAL 149 CO 0.28 0.49 -0.03 0.00 0.00 0.00 0.00 175.10 175.84 3ie1 s ALA 150 N 0.47 0.72 0.05 5.51 0.00 0.69 -0.85 121.76 128.35 3ie1 s ALA 150 Ca -0.04 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 51.89 3ie1 s ALA 150 Cb -0.14 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 3ie1 s ALA 150 CO 0.03 -0.19 -0.23 -1.14 0.00 0.00 0.00 175.76 174.23 3ie1 s GLN 151 N 1.32 1.56 0.00 0.00 -0.44 -0.51 0.63 119.66 122.21 3ie1 s GLN 151 Ca -0.05 -1.03 0.00 0.00 -2.50 0.00 0.00 55.36 51.78 3ie1 s GLN 151 Cb -0.13 -1.72 0.00 0.00 -1.64 0.00 0.00 33.01 29.52 3ie1 s GLN 151 CO -0.02 0.44 0.00 0.41 0.50 0.00 0.00 175.29 176.62 3ie1 n GLY 152 N 1.77 2.12 3.66 2.59 0.00 0.55 -1.31 105.19 114.56 3ie1 n GLY 152 Ca -0.17 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.40 -6.13 -0.99 1.61 1.02 -1.26 -0.98 120.64 113.50 3ie1 n GLU 153 Ca 0.00 0.72 -0.02 0.00 -0.02 0.00 0.00 57.16 57.84 3ie1 n GLU 153 Cb 0.00 -5.57 -0.01 0.00 -0.02 0.00 0.00 31.44 25.84 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 -1.58 0.19 3.47 0.62 0.00 -1.26 -4.92 105.19 101.71 3ie1 n GLY 154 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.04 1.68 -0.04 1.61 1.81 -0.16 -5.12 118.95 116.70 3ie1 s ARG 155 Ca 0.00 -1.68 -0.02 0.00 -1.72 0.00 0.00 55.73 52.31 3ie1 s ARG 155 Cb 0.00 -1.82 0.03 0.00 -0.45 0.00 0.00 34.95 32.72 3ie1 s ARG 155 CO 0.00 0.35 0.09 0.99 -0.68 0.00 0.00 175.30 176.05 3ie1 s THR 156 N -2.28 -0.08 -0.04 0.02 2.01 -1.26 -0.33 115.64 113.68 3ie1 s THR 156 Ca 0.28 0.25 0.07 0.00 0.31 0.00 0.00 61.69 62.60 3ie1 s THR 156 Cb -0.06 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 3ie1 s THR 156 CO 0.14 0.10 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.70 3ie1 s LEU 157 N 1.38 2.05 -0.04 4.42 2.96 0.21 -0.73 118.68 128.93 3ie1 s LEU 157 Ca -0.06 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.44 3ie1 s LEU 157 Cb -0.12 -1.33 -0.02 0.00 0.50 0.00 0.00 46.19 45.22 3ie1 s LEU 157 CO -0.04 0.28 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.34 3ie1 s VAL 158 N -0.39 2.23 -0.38 1.68 1.01 -0.99 -0.22 120.40 123.34 3ie1 s VAL 158 Ca 0.04 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3ie1 s VAL 158 Cb -0.12 -1.80 0.11 0.00 0.00 0.00 0.00 36.38 34.58 3ie1 s VAL 158 CO 0.01 0.58 0.12 -0.47 0.00 0.00 0.00 175.10 175.34 3ie1 s TYR 159 N -0.47 3.08 0.38 5.22 6.04 0.18 -1.73 117.35 130.04 3ie1 s TYR 159 Ca 0.06 -2.74 0.30 0.00 0.04 0.00 0.00 57.07 54.73 3ie1 s TYR 159 Cb -0.11 -2.57 1.25 0.00 -1.04 0.00 0.00 41.96 39.48 3ie1 s TYR 159 CO 0.01 -0.88 1.24 -1.13 -1.54 0.00 0.00 175.55 173.25 3ie1 n SER 160 N 4.07 0.11 0.00 4.32 3.41 -0.70 -2.47 113.62 122.36 3ie1 n SER 160 Ca 0.03 1.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 3ie1 n SER 160 Cb 0.39 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 3ie1 n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ie1 n GLY 161 N -1.52 0.92 3.41 5.00 0.00 -1.26 -4.18 105.19 107.56 3ie1 n GLY 161 Ca 0.33 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 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 5.29 1.09 1.61 -0.00 -1.26 -4.30 116.67 115.10 3ie1 s ASP 162 Ca 0.00 -0.48 -0.09 0.00 -0.00 0.00 0.00 52.55 51.98 3ie1 s ASP 162 Cb 0.00 -1.94 0.13 0.00 -0.00 0.00 0.00 42.92 41.11 3ie1 s ASP 162 CO 0.00 -0.15 0.51 0.18 -0.00 0.00 0.00 175.17 175.72 3ie1 n LEU 163 N 4.93 0.00 -4.29 1.23 4.32 -1.26 -4.59 117.00 117.35 3ie1 n LEU 163 Ca -0.15 -0.55 -0.15 0.00 -0.02 0.00 0.00 56.01 55.14 3ie1 n LEU 163 Cb 0.49 -0.45 -0.10 0.00 -1.62 0.00 0.00 43.42 41.74 3ie1 n LEU 163 CO 0.32 -1.41 -0.35 -0.83 -1.22 0.00 0.00 177.39 173.90 3ie1 s GLY 164 N -3.57 1.34 -0.91 -0.72 0.00 -0.89 -4.52 107.32 98.05 3ie1 s GLY 164 Ca 0.32 -1.65 -0.24 0.00 0.00 0.00 0.00 44.72 43.16 3ie1 s GLY 164 CO 0.24 -1.62 1.77 0.21 0.00 0.00 0.00 173.10 173.71 3ie1 s ASN 165 N -3.24 5.58 0.00 1.64 3.04 0.92 -4.47 114.94 118.41 3ie1 s ASN 165 Ca 0.24 -0.81 0.00 0.00 0.04 0.00 0.00 52.86 52.32 3ie1 s ASN 165 Cb 0.05 -2.56 0.00 0.00 -1.54 0.00 0.00 41.25 37.20 3ie1 s ASN 165 CO 0.05 -2.33 0.08 -1.14 -3.04 0.00 0.00 177.10 170.72 3ie1 n ARG 166 N 8.91 0.00 -0.04 0.43 0.00 -1.26 -1.80 116.66 122.90 3ie1 n ARG 166 Ca 0.35 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 58.23 3ie1 n ARG 166 Cb 0.49 -1.12 0.05 0.00 0.00 0.00 0.00 32.46 31.87 3ie1 n ARG 166 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3ie1 n GLU 167 N -0.45 1.09 -0.95 -0.14 1.02 -1.26 -4.96 120.64 114.98 3ie1 n GLU 167 Ca 0.00 -1.24 -0.02 0.00 -0.02 0.00 0.00 57.16 55.88 3ie1 n GLU 167 Cb 0.00 -1.13 0.01 0.00 -0.02 0.00 0.00 31.44 30.30 3ie1 n GLU 167 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ie1 n LYS 168 N 0.21 0.70 0.00 3.49 5.02 -0.74 -4.64 118.16 122.20 3ie1 n LYS 168 Ca 0.05 -0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 3ie1 n LYS 168 Cb 0.23 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 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 -2.97 0.38 0.10 4.39 10.43 -1.26 -4.84 116.55 122.78 3ie1 n ASP 169 Ca 0.02 -0.94 -0.17 0.00 2.57 0.00 0.00 54.79 56.27 3ie1 n ASP 169 Cb 0.06 0.03 -0.14 0.00 1.84 0.00 0.00 41.12 42.91 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 0.55 1.42 -2.10 2.53 2.07 -1.98 -3.42 116.25 115.32 3ie1 h VAL 170 Ca 0.00 -2.99 -0.59 0.00 0.82 0.00 0.00 66.70 63.94 3ie1 h VAL 170 Cb 0.27 2.93 -0.12 0.00 -1.52 0.00 0.00 31.29 32.85 3ie1 h VAL 170 CO 0.00 0.87 -0.68 -0.76 0.02 0.00 0.00 177.57 177.03 3ie1 s LEU 171 N -7.16 2.90 0.70 2.57 1.02 -1.26 -2.77 118.68 114.67 3ie1 s LEU 171 Ca -0.05 -0.91 -0.15 0.00 0.02 0.00 0.00 54.13 53.04 3ie1 s LEU 171 Cb 0.07 -1.35 0.02 0.00 0.02 0.00 0.00 46.19 44.94 3ie1 s LEU 171 CO 0.88 -0.07 1.15 -2.16 0.02 0.00 0.00 176.35 176.17 3ie1 s PRO 172 N -3.63 2.46 0.65 1.29 0.04 -1.26 -4.56 135.00 129.99 3ie1 s PRO 172 Ca 0.32 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 62.72 3ie1 s PRO 172 Cb -0.03 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.60 3ie1 s PRO 172 CO 0.18 -1.54 1.17 -0.51 0.04 0.00 0.00 177.00 176.34 3ie1 s ASP 173 N -2.40 4.91 0.37 6.66 1.01 -1.26 -4.10 116.67 121.86 3ie1 s ASP 173 Ca 0.70 2.25 -0.24 0.00 0.71 0.00 0.00 52.55 55.96 3ie1 s ASP 173 Cb -0.24 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.01 3ie1 s ASP 173 CO 0.44 -1.78 0.97 -2.84 0.21 0.00 0.00 175.17 172.17 3ie1 s PRO 174 N -3.72 4.38 0.51 8.23 0.02 -1.26 -4.59 135.00 138.57 3ie1 s PRO 174 Ca 0.73 1.31 -0.15 0.00 0.02 0.00 0.00 61.00 62.92 3ie1 s PRO 174 Cb -0.27 -2.56 -0.07 0.00 0.02 0.00 0.00 34.50 31.62 3ie1 s PRO 174 CO 0.39 0.09 0.95 0.45 -0.33 0.00 0.00 177.00 178.54 3ie1 s SER 175 N -1.77 6.55 0.44 2.53 0.15 0.57 -4.94 113.70 117.23 3ie1 s SER 175 Ca 0.55 1.46 -0.20 0.00 0.70 0.00 0.00 55.95 58.46 3ie1 s SER 175 Cb -0.17 -2.47 -0.11 0.00 -1.71 0.00 0.00 66.02 61.57 3ie1 s SER 175 CO 0.22 -0.59 0.95 -0.76 1.20 0.00 0.00 173.24 174.26 3ie1 s LEU 176 N -4.19 3.90 0.67 3.45 1.43 -1.26 -4.79 118.68 117.89 3ie1 s LEU 176 Ca 0.57 1.66 -0.08 0.00 -1.03 0.00 0.00 54.13 55.25 3ie1 s LEU 176 Cb -0.10 -4.53 0.03 0.00 0.03 0.00 0.00 46.19 41.62 3ie1 s LEU 176 CO 0.34 -0.39 1.00 -2.16 0.23 0.00 0.00 176.35 175.38 3ie1 s PRO 177 N -3.30 2.62 0.37 1.29 0.04 -1.26 -5.01 135.00 129.76 3ie1 s PRO 177 Ca 0.61 0.03 -0.10 0.00 0.04 0.00 0.00 61.00 61.59 3ie1 s PRO 177 Cb -0.09 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 3ie1 s PRO 177 CO 0.16 -1.00 0.73 -1.25 0.04 0.00 0.00 177.00 175.68 3ie1 s PRO 178 N -5.19 3.78 -0.23 0.56 0.04 -1.26 -4.96 135.00 127.73 3ie1 s PRO 178 Ca 0.57 0.41 -0.34 0.00 0.04 0.00 0.00 61.00 61.69 3ie1 s PRO 178 Cb -0.11 -2.44 -0.10 0.00 0.04 0.00 0.00 34.50 31.89 3ie1 s PRO 178 CO 0.47 0.03 2.08 -0.11 0.04 0.00 0.00 177.00 179.50 3ie1 n LEU 179 N -1.12 2.82 -4.88 -3.56 7.94 -1.26 -4.93 117.00 112.01 3ie1 n LEU 179 Ca 0.02 0.58 -0.21 0.00 -1.11 0.00 0.00 56.01 55.29 3ie1 n LEU 179 Cb 0.54 -1.36 -0.03 0.00 0.53 0.00 0.00 43.42 43.10 3ie1 n LEU 179 CO 0.47 -0.49 0.00 0.00 -1.11 0.00 0.00 177.39 176.27 3ie1 s ALA 180 N 6.34 4.08 -0.06 1.96 0.00 -1.26 -4.99 121.76 127.83 3ie1 s ALA 180 Ca 1.02 -1.88 0.13 0.00 0.00 0.00 0.00 51.96 51.23 3ie1 s ALA 180 Cb -0.70 -1.04 -0.20 0.00 0.00 0.00 0.00 23.12 21.19 3ie1 s ALA 180 CO 0.48 -0.22 0.76 -0.44 0.00 0.00 0.00 175.76 176.33 3ie1 h ASP 181 N 1.01 0.00 -3.86 0.00 3.45 -1.29 -3.43 116.42 112.31 3ie1 h ASP 181 Ca -0.41 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 56.93 3ie1 h ASP 181 Cb 1.27 0.00 -0.24 0.00 -0.56 0.00 0.00 39.33 39.80 3ie1 h ASP 181 CO 0.57 0.87 -0.20 -0.22 -1.57 0.00 0.00 179.24 178.69 3ie1 s LEU 182 N -6.05 0.28 -0.19 1.55 2.96 -1.22 -4.40 118.68 111.62 3ie1 s LEU 182 Ca -0.04 0.90 -0.02 0.00 -0.22 0.00 0.00 54.13 54.76 3ie1 s LEU 182 Cb 0.08 1.52 0.05 0.00 0.50 0.00 0.00 46.19 48.34 3ie1 s LEU 182 CO 0.82 -0.16 -0.00 -0.69 -1.32 0.00 0.00 176.35 175.00 3ie1 s VAL 183 N 0.30 0.83 -0.76 1.68 1.01 -0.72 -2.33 120.40 120.40 3ie1 s VAL 183 Ca -0.01 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 3ie1 s VAL 183 Cb -0.03 -1.19 0.08 0.00 0.00 0.00 0.00 36.38 35.24 3ie1 s VAL 183 CO -0.00 -0.08 1.06 -0.22 0.00 0.00 0.00 175.10 175.86 3ie1 s LEU 184 N 1.73 4.43 0.33 3.92 2.96 -0.71 -1.38 118.68 129.97 3ie1 s LEU 184 Ca -0.01 -1.27 0.08 0.00 -0.22 0.00 0.00 54.13 52.71 3ie1 s LEU 184 Cb -0.17 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 3ie1 s LEU 184 CO -0.07 -1.37 0.14 0.00 -1.32 0.00 0.00 176.35 173.73 3ie1 s ALA 185 N 3.86 3.49 0.82 5.97 0.00 -1.25 -1.72 121.76 132.93 3ie1 s ALA 185 Ca 0.27 -1.80 -0.10 0.00 0.00 0.00 0.00 51.96 50.34 3ie1 s ALA 185 Cb -0.12 -0.77 0.14 0.00 0.00 0.00 0.00 23.12 22.37 3ie1 s ALA 185 CO 0.04 0.05 1.15 -1.83 0.00 0.00 0.00 175.76 175.18 3ie1 s GLU 186 N -3.84 1.41 0.00 0.00 -1.05 -1.26 -0.25 118.70 113.71 3ie1 s GLU 186 Ca 0.37 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 54.70 3ie1 s GLU 186 Cb -0.03 -2.05 0.00 0.00 -0.44 0.00 0.00 34.13 31.61 3ie1 s GLU 186 CO 0.23 -1.81 0.22 0.41 0.95 0.00 0.00 175.26 175.26 3ie1 n GLY 187 N -3.29 0.33 0.12 -3.83 0.00 -0.39 -4.60 105.19 93.53 3ie1 n GLY 187 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 3ie1 n GLY 187 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ie1 n THR 188 N 0.00 -0.16 -2.01 2.61 -1.04 -0.83 0.15 114.28 113.00 3ie1 n THR 188 Ca 0.00 0.75 -0.27 0.00 -2.04 0.00 0.00 64.05 62.49 3ie1 n THR 188 Cb 0.51 -1.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.05 3ie1 n THR 188 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3ie1 n TYR 189 N -4.48 2.99 0.96 -1.42 4.02 -1.26 -4.63 117.16 113.34 3ie1 n TYR 189 Ca 0.04 -2.55 0.00 0.00 -0.01 0.00 0.00 57.90 55.37 3ie1 n TYR 189 Cb 0.13 -0.51 0.00 0.00 -0.02 0.00 0.00 39.34 38.94 3ie1 n TYR 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ie1 n GLY 190 N -0.68 0.25 0.00 2.72 0.00 0.40 -2.24 105.19 105.64 3ie1 n GLY 190 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3ie1 n GLY 190 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ie1 n ASP 191 N -0.13 2.45 -3.64 1.61 3.85 -1.26 -0.74 116.55 118.69 3ie1 n ASP 191 Ca 0.00 -0.26 -0.09 0.00 -0.71 0.00 0.00 54.79 53.73 3ie1 n ASP 191 Cb 0.09 1.01 -0.07 0.00 -1.35 0.00 0.00 41.12 40.81 3ie1 n ASP 191 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ie1 s ARG 192 N -1.55 0.60 0.32 0.11 1.70 -1.14 -5.02 118.95 113.98 3ie1 s ARG 192 Ca -0.00 0.80 -0.05 0.00 -0.47 0.00 0.00 55.73 56.01 3ie1 s ARG 192 Cb 0.00 0.25 0.08 0.00 -0.57 0.00 0.00 34.95 34.71 3ie1 s ARG 192 CO 0.03 -0.09 0.31 -0.35 -1.08 0.00 0.00 175.30 174.12 3ie1 n PRO 193 N 2.87 -1.31 -3.39 3.89 -0.04 -1.26 -3.19 135.00 132.56 3ie1 n PRO 193 Ca -0.15 -0.50 -0.22 0.00 -0.04 0.00 0.00 63.50 62.59 3ie1 n PRO 193 Cb 0.56 -0.43 0.03 0.00 -0.04 0.00 0.00 33.50 33.62 3ie1 n PRO 193 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3ie1 s HIS 194 N -1.60 1.65 -0.49 0.54 3.76 -1.26 -4.79 115.29 113.09 3ie1 s HIS 194 Ca 0.20 -0.74 -0.21 0.00 -0.15 0.00 0.00 55.06 54.15 3ie1 s HIS 194 Cb -0.02 -2.10 0.04 0.00 1.11 0.00 0.00 32.58 31.61 3ie1 s HIS 194 CO 0.15 -0.79 0.73 0.50 -0.85 0.00 0.00 174.74 174.48 3ie1 s ARG 195 N -4.47 3.27 0.02 1.40 3.52 -0.37 -4.99 118.95 117.33 3ie1 s ARG 195 Ca 0.50 -0.45 -0.08 0.00 -0.13 0.00 0.00 55.73 55.57 3ie1 s ARG 195 Cb -0.04 -4.02 -0.04 0.00 -1.56 0.00 0.00 34.95 29.29 3ie1 s ARG 195 CO 0.31 -1.20 0.19 -2.30 -0.81 0.00 0.00 175.30 171.49 3ie1 n PRO 196 N 6.60 0.00 0.31 5.12 -0.02 -1.26 -4.36 135.00 141.39 3ie1 n PRO 196 Ca -0.02 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.29 3ie1 n PRO 196 Cb 0.47 -0.29 -0.09 0.00 -0.02 0.00 0.00 33.50 33.57 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 0.47 -1.06 0.00 6.00 -0.00 -1.90 -2.38 116.97 118.10 3ie1 h TYR 197 Ca -0.09 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.63 3ie1 h TYR 197 Cb 0.33 0.39 0.00 0.00 -0.00 0.00 0.00 36.73 37.45 3ie1 h TYR 197 CO 0.12 -0.58 0.00 0.54 -0.00 0.00 0.00 178.16 178.24 3ie1 n ARG 198 N -5.52 0.00 -0.06 1.82 5.12 -1.26 0.13 116.66 116.90 3ie1 n ARG 198 Ca -0.12 0.63 0.10 0.00 -1.93 0.00 0.00 57.85 56.53 3ie1 n ARG 198 Cb 0.41 -0.95 0.48 0.00 -1.16 0.00 0.00 32.46 31.24 3ie1 n ARG 198 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 3ie1 h GLU 199 N 0.00 0.43 0.00 5.56 4.11 -1.92 0.43 114.58 123.18 3ie1 h GLU 199 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 3ie1 h GLU 199 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3ie1 h GLU 199 CO 0.00 0.28 0.00 1.15 0.07 0.00 0.00 179.01 180.51 3ie1 h THR 200 N 0.44 0.00 0.01 -1.06 2.02 0.17 -0.63 112.91 113.86 3ie1 h THR 200 Ca 0.24 -0.34 -0.19 0.00 0.77 0.00 0.00 66.41 66.89 3ie1 h THR 200 Cb 0.38 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 3ie1 h THR 200 CO -0.06 0.00 -1.02 0.58 0.37 0.00 0.00 175.52 175.39 3ie1 h VAL 201 N 0.00 1.11 0.27 3.16 2.07 0.50 -3.26 116.25 120.11 3ie1 h VAL 201 Ca 0.00 -2.24 -0.01 0.00 0.82 0.00 0.00 66.70 65.26 3ie1 h VAL 201 Cb 0.43 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 3ie1 h VAL 201 CO 0.00 0.43 -0.13 0.08 0.02 0.00 0.00 177.57 177.97 3ie1 h ARG 202 N -0.90 -0.35 -0.72 1.57 0.11 -1.25 -1.88 114.38 110.96 3ie1 h ARG 202 Ca -0.27 0.02 0.21 0.00 0.10 0.00 0.00 59.98 60.04 3ie1 h ARG 202 Cb 1.30 0.08 -0.03 0.00 1.11 0.00 0.00 29.97 32.43 3ie1 h ARG 202 CO -0.13 -0.08 0.62 1.49 0.10 0.00 0.00 179.97 181.97 3ie1 h GLU 203 N -0.59 0.00 -0.00 0.08 4.81 -1.31 0.65 114.58 118.22 3ie1 h GLU 203 Ca -0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3ie1 h GLU 203 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3ie1 h GLU 203 CO 0.06 0.00 -0.03 0.35 -0.73 0.00 0.00 179.01 178.66 3ie1 h PHE 204 N 0.00 0.04 -0.10 0.92 3.04 -1.48 -2.19 116.94 117.17 3ie1 h PHE 204 Ca 0.34 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.25 3ie1 h PHE 204 Cb 1.59 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 40.08 3ie1 h PHE 204 CO 0.00 0.73 -0.06 -0.07 -2.02 0.00 0.00 178.31 176.88 3ie1 h LEU 205 N -0.66 0.13 0.09 0.59 3.38 0.43 -2.24 115.31 117.02 3ie1 h LEU 205 Ca -0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ie1 h LEU 205 Cb 0.73 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3ie1 h LEU 205 CO 0.01 0.21 -0.04 -0.33 0.09 0.00 0.00 178.44 178.38 3ie1 h GLU 206 N 0.14 -0.11 -0.20 1.13 5.08 0.11 -1.91 114.58 118.81 3ie1 h GLU 206 Ca 0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3ie1 h GLU 206 Cb 0.21 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3ie1 h GLU 206 CO 0.01 0.13 0.00 -0.89 -1.00 0.00 0.00 179.01 177.26 3ie1 n ILE 207 N -5.04 0.00 -0.05 3.13 5.41 -0.83 -2.39 119.36 119.59 3ie1 n ILE 207 Ca -0.08 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.59 3ie1 n ILE 207 Cb 0.16 -0.25 -0.04 0.00 -0.71 0.00 0.00 39.64 38.80 3ie1 n ILE 207 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3ie1 n LEU 208 N -0.17 2.49 0.17 1.39 4.77 -0.75 -4.48 117.00 120.42 3ie1 n LEU 208 Ca 0.00 -0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.03 3ie1 n LEU 208 Cb 0.05 -0.32 0.11 0.00 -2.33 0.00 0.00 43.42 40.92 3ie1 n LEU 208 CO 0.00 0.56 0.61 -0.33 -1.33 0.00 0.00 177.39 176.90 3ie1 h GLU 209 N -0.08 0.00 0.00 3.23 5.08 -1.11 -1.47 114.58 120.23 3ie1 h GLU 209 Ca -0.22 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.94 3ie1 h GLU 209 Cb 1.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 3ie1 h GLU 209 CO -0.06 0.32 -1.10 -0.22 -1.00 0.00 0.00 179.01 176.95 3ie1 h LYS 210 N 0.00 0.00 0.00 2.33 3.11 -1.80 -3.08 116.57 117.14 3ie1 h LYS 210 Ca -0.00 0.00 -0.37 0.00 -2.81 0.00 0.00 60.65 57.46 3ie1 h LYS 210 Cb 1.21 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 32.37 3ie1 h LYS 210 CO 0.04 0.69 -2.40 0.25 -2.81 0.00 0.00 179.45 175.23 3ie1 n THR 211 N -3.20 1.40 0.11 1.00 -2.24 -1.24 -4.17 114.28 105.95 3ie1 n THR 211 Ca -0.04 -0.80 0.01 0.00 -2.27 0.00 0.00 64.05 60.95 3ie1 n THR 211 Cb 0.91 -0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 68.47 3ie1 n THR 211 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3ie1 h LEU 212 N 0.00 0.00 -0.23 3.22 3.38 -1.33 0.11 115.31 120.46 3ie1 h LEU 212 Ca -0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3ie1 h LEU 212 Cb 2.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.92 3ie1 h LEU 212 CO 0.01 0.55 -0.02 -1.20 0.09 0.00 0.00 178.44 177.86 3ie1 n SER 213 N -3.17 0.39 -0.37 -0.43 7.64 -1.16 -3.43 113.62 113.08 3ie1 n SER 213 Ca -0.00 -0.93 0.08 0.00 1.01 0.00 0.00 58.87 59.03 3ie1 n SER 213 Cb 0.77 -0.04 0.18 0.00 -1.01 0.00 0.00 64.21 64.10 3ie1 n SER 213 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ie1 n GLN 214 N -0.79 1.46 -0.63 1.43 10.64 -1.19 -4.94 117.38 123.37 3ie1 n GLN 214 Ca 0.20 -2.97 0.00 0.00 -1.83 0.00 0.00 57.00 52.40 3ie1 n GLN 214 Cb 0.20 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 28.01 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 -1.26 0.46 3.77 2.61 0.00 -1.22 -4.94 105.19 104.60 3ie1 n GLY 215 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3ie1 n GLY 215 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ie1 s GLY 216 N -2.00 2.95 0.57 -0.02 0.00 0.38 -2.99 107.32 106.21 3ie1 s GLY 216 Ca 0.00 0.59 -0.06 0.00 0.00 0.00 0.00 44.72 45.25 3ie1 s GLY 216 CO 0.00 1.09 0.88 0.54 0.00 0.00 0.00 173.10 175.61 3ie1 s LYS 217 N -1.67 3.02 -0.16 2.90 1.02 -1.26 -3.63 119.74 119.97 3ie1 s LYS 217 Ca 0.46 0.02 0.01 0.00 0.02 0.00 0.00 55.97 56.48 3ie1 s LYS 217 Cb -0.22 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 3ie1 s LYS 217 CO 0.28 -0.62 -0.17 0.08 -0.92 0.00 0.00 175.35 174.00 3ie1 s VAL 218 N -2.95 2.49 -0.36 3.17 1.01 0.31 -2.17 120.40 121.90 3ie1 s VAL 218 Ca 0.53 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 3ie1 s VAL 218 Cb -0.10 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.25 3ie1 s VAL 218 CO 0.45 0.52 0.20 -0.76 0.00 0.00 0.00 175.10 175.51 3ie1 s LEU 219 N 0.90 4.54 -0.33 3.92 1.02 -0.68 0.15 118.68 128.21 3ie1 s LEU 219 Ca -0.04 -0.82 -0.01 0.00 0.02 0.00 0.00 54.13 53.28 3ie1 s LEU 219 Cb -0.15 -2.03 0.12 0.00 0.02 0.00 0.00 46.19 44.15 3ie1 s LEU 219 CO -0.02 -0.32 0.16 -0.63 0.02 0.00 0.00 176.35 175.55 3ie1 s ILE 220 N 1.59 0.43 0.17 -0.59 1.01 0.81 -1.28 121.20 123.34 3ie1 s ILE 220 Ca 0.03 -1.43 -0.30 0.00 0.00 0.00 0.00 60.65 58.95 3ie1 s ILE 220 Cb -0.18 -1.33 -0.07 0.00 0.01 0.00 0.00 42.46 40.89 3ie1 s ILE 220 CO 0.07 -0.81 1.00 -2.16 0.00 0.00 0.00 174.94 173.04 3ie1 s PRO 221 N 1.46 4.71 0.27 2.79 0.04 -1.26 -3.08 135.00 139.92 3ie1 s PRO 221 Ca 0.13 1.56 0.03 0.00 0.04 0.00 0.00 61.00 62.76 3ie1 s PRO 221 Cb -0.19 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 3ie1 s PRO 221 CO -0.18 0.26 0.20 0.95 0.04 0.00 0.00 177.00 178.26 3ie1 s THR 222 N -0.45 0.02 0.04 1.26 -4.23 0.17 -4.65 115.64 107.81 3ie1 s THR 222 Ca 0.46 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.91 3ie1 s THR 222 Cb -0.26 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 3ie1 s THR 222 CO 0.32 0.00 0.30 -0.36 -0.54 0.00 0.00 174.62 174.35 3ie1 s PHE 223 N -3.79 3.56 0.00 3.99 0.40 -1.26 -3.10 117.98 117.78 3ie1 s PHE 223 Ca 0.40 0.58 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 3ie1 s PHE 223 Cb 0.05 -2.00 0.00 0.00 0.51 0.00 0.00 43.02 41.57 3ie1 s PHE 223 CO 0.20 0.57 0.96 0.00 0.70 0.00 0.00 175.22 177.65 3ie1 n ALA 224 N 0.88 2.68 -2.48 5.36 0.00 -1.26 -2.57 120.51 123.13 3ie1 n ALA 224 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3ie1 n ALA 224 Cb 0.52 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.61 0.00 0.00 0.00 0.31 -1.26 -4.10 118.33 114.88 3ie1 n VAL 225 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3ie1 n VAL 225 Cb 0.26 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 3ie1 n VAL 225 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3ie1 n GLU 226 N 0.00 0.00 -0.14 5.55 4.07 -1.26 -3.41 120.64 125.45 3ie1 n GLU 226 Ca 0.00 0.60 -0.04 0.00 -0.06 0.00 0.00 57.16 57.66 3ie1 n GLU 226 Cb 0.00 -1.33 -0.03 0.00 -0.06 0.00 0.00 31.44 30.02 3ie1 n GLU 226 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3ie1 n ARG 227 N -1.93 -0.15 -0.06 5.31 3.00 -1.26 -1.18 116.66 120.39 3ie1 n ARG 227 Ca 0.00 0.75 -0.02 0.00 -0.01 0.00 0.00 57.85 58.57 3ie1 n ARG 227 Cb 0.00 -1.11 -0.02 0.00 0.00 0.00 0.00 32.46 31.33 3ie1 n ARG 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ie1 h ALA 228 N -0.07 -0.20 -0.64 7.54 0.00 -1.53 0.33 119.26 124.69 3ie1 h ALA 228 Ca 0.05 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.09 3ie1 h ALA 228 Cb 0.14 0.97 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3ie1 h ALA 228 CO -0.32 -0.26 0.43 1.96 0.00 0.00 0.00 179.25 181.06 3ie1 h GLN 229 N -0.03 0.36 0.02 0.00 1.08 -1.44 -1.91 115.11 113.19 3ie1 h GLN 229 Ca 0.02 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3ie1 h GLN 229 Cb 0.08 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3ie1 h GLN 229 CO -0.15 0.24 -0.01 1.49 -0.95 0.00 0.00 178.83 179.45 3ie1 h GLU 230 N 0.37 -0.03 -0.85 1.46 4.81 0.51 -3.07 114.58 117.79 3ie1 h GLU 230 Ca 0.30 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.70 3ie1 h GLU 230 Cb 0.67 0.01 -0.16 0.00 0.63 0.00 0.00 28.75 29.90 3ie1 h GLU 230 CO -0.08 0.25 -0.25 0.82 -0.73 0.00 0.00 179.01 179.02 3ie1 h ILE 231 N -0.31 0.12 0.00 2.32 1.08 0.39 0.56 117.51 121.67 3ie1 h ILE 231 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3ie1 h ILE 231 Cb 0.29 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.17 3ie1 h ILE 231 CO 0.00 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.64 3ie1 n LEU 232 N -5.54 0.23 0.03 1.44 4.77 -1.16 -2.59 117.00 114.19 3ie1 n LEU 232 Ca 0.12 -0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 3ie1 n LEU 232 Cb 0.43 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3ie1 n LEU 232 CO -0.06 0.05 -0.11 0.00 -1.33 0.00 0.00 177.39 175.93 3ie1 n TYR 233 N 0.62 0.00 0.03 -1.77 9.36 0.20 -3.42 117.16 122.18 3ie1 n TYR 233 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3ie1 n TYR 233 Cb 0.05 -0.05 0.01 0.00 -0.63 0.00 0.00 39.34 38.71 3ie1 n TYR 233 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3ie1 n VAL 234 N -3.55 0.00 -0.00 2.97 0.31 -1.07 -0.79 118.33 116.19 3ie1 n VAL 234 Ca -0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3ie1 n VAL 234 Cb 0.09 -0.87 -0.00 0.00 -0.91 0.00 0.00 33.84 32.16 3ie1 n VAL 234 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3ie1 n LEU 235 N -0.88 0.06 0.13 7.52 4.77 -1.23 -3.70 117.00 123.68 3ie1 n LEU 235 Ca 0.00 0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.05 3ie1 n LEU 235 Cb 0.00 -0.41 0.31 0.00 -2.33 0.00 0.00 43.42 41.00 3ie1 n LEU 235 CO 0.00 -0.50 0.74 0.00 -1.33 0.00 0.00 177.39 176.30 3ie1 n TYR 236 N -2.56 0.39 0.61 -1.77 9.36 -1.02 0.45 117.16 122.62 3ie1 n TYR 236 Ca -0.00 0.20 0.07 0.00 3.32 0.00 0.00 57.90 61.48 3ie1 n TYR 236 Cb 0.01 -0.66 -0.01 0.00 -0.63 0.00 0.00 39.34 38.05 3ie1 n TYR 236 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 3ie1 n THR 237 N -1.92 0.00 -1.26 2.97 -2.24 0.03 -4.60 114.28 107.26 3ie1 n THR 237 Ca -0.01 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3ie1 n THR 237 Cb 0.25 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.38 0.00 1.21 4.78 8.25 0.31 -4.83 115.22 124.55 3ie1 n HIS 238 Ca 0.05 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.61 3ie1 n HIS 238 Cb 0.27 0.03 0.58 0.00 1.12 0.00 0.00 29.99 32.00 3ie1 n HIS 238 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ie1 n GLY 239 N 0.00 -0.71 0.11 -1.41 0.00 1.59 -2.75 105.19 102.02 3ie1 n GLY 239 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.91 3ie1 n GLY 239 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3ie1 n HIS 240 N -1.06 0.06 -1.94 1.61 1.44 -1.26 -3.15 115.22 110.92 3ie1 n HIS 240 Ca 0.14 -0.03 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 3ie1 n HIS 240 Cb 0.09 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.19 3ie1 n HIS 240 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 3ie1 n ARG 241 N -0.35 0.00 -4.26 -1.40 1.85 -1.11 -5.11 116.66 106.28 3ie1 n ARG 241 Ca 0.01 -0.78 -0.16 0.00 -1.00 0.00 0.00 57.85 55.93 3ie1 n ARG 241 Cb 0.05 -0.40 -0.10 0.00 -1.05 0.00 0.00 32.46 30.96 3ie1 n ARG 241 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3ie1 s LEU 242 N 0.00 2.50 0.56 2.89 1.43 -1.19 -5.00 118.68 119.87 3ie1 s LEU 242 Ca 0.00 -0.95 -0.21 0.00 -1.03 0.00 0.00 54.13 51.94 3ie1 s LEU 242 Cb 0.00 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.71 3ie1 s LEU 242 CO 0.00 -0.24 1.31 -2.16 0.23 0.00 0.00 176.35 175.49 3ie1 s PRO 243 N -3.38 3.08 -0.98 1.29 0.04 -1.26 -4.86 135.00 128.92 3ie1 s PRO 243 Ca 0.15 2.12 -0.24 0.00 0.04 0.00 0.00 61.00 63.07 3ie1 s PRO 243 Cb -0.00 -2.17 -0.15 0.00 0.04 0.00 0.00 34.50 32.22 3ie1 s PRO 243 CO 0.02 -1.20 1.93 0.54 0.04 0.00 0.00 177.00 178.33 3ie1 n ARG 244 N -1.19 1.27 -4.07 4.56 1.74 -1.26 -4.91 116.66 112.80 3ie1 n ARG 244 Ca 0.11 -2.11 -0.33 0.00 -0.77 0.00 0.00 57.85 54.75 3ie1 n ARG 244 Cb 0.46 -3.45 -0.07 0.00 -1.02 0.00 0.00 32.46 28.38 3ie1 n ARG 244 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ie1 s ALA 245 N 9.95 3.64 -0.40 7.54 0.00 -1.26 -5.06 121.76 136.18 3ie1 s ALA 245 Ca 0.67 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 51.51 3ie1 s ALA 245 Cb 0.04 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.53 3ie1 s ALA 245 CO 0.16 0.69 1.19 -1.25 0.00 0.00 0.00 175.76 176.54 3ie1 s PRO 246 N -1.67 3.81 -0.34 0.00 0.04 -1.26 -4.78 135.00 130.81 3ie1 s PRO 246 Ca 0.22 0.85 -0.24 0.00 0.04 0.00 0.00 61.00 61.88 3ie1 s PRO 246 Cb -0.12 -3.88 0.01 0.00 0.04 0.00 0.00 34.50 30.55 3ie1 s PRO 246 CO 0.13 -1.25 0.82 0.42 0.04 0.00 0.00 177.00 177.16 3ie1 s ILE 247 N 4.40 4.72 -0.46 0.56 1.01 -1.12 -1.83 121.20 128.48 3ie1 s ILE 247 Ca 0.51 1.09 -0.14 0.00 0.00 0.00 0.00 60.65 62.11 3ie1 s ILE 247 Cb -0.11 -4.21 0.08 0.00 0.01 0.00 0.00 42.46 38.23 3ie1 s ILE 247 CO 0.27 -0.38 0.37 -0.31 0.00 0.00 0.00 174.94 174.89 3ie1 s TYR 248 N 3.13 3.27 -0.76 3.97 1.51 0.31 -1.53 117.35 127.24 3ie1 s TYR 248 Ca 0.33 -1.12 -0.25 0.00 -1.01 0.00 0.00 57.07 55.03 3ie1 s TYR 248 Cb -0.13 -3.16 0.05 0.00 -0.11 0.00 0.00 41.96 38.60 3ie1 s TYR 248 CO 0.15 -0.83 1.21 -1.17 -1.11 0.00 0.00 175.55 173.80 3ie1 s LEU 249 N 1.58 3.63 -0.91 -1.29 1.98 0.30 -0.09 118.68 123.88 3ie1 s LEU 249 Ca 0.04 -0.80 -0.15 0.00 -2.89 0.00 0.00 54.13 50.32 3ie1 s LEU 249 Cb -0.24 -2.51 0.19 0.00 0.66 0.00 0.00 46.19 44.28 3ie1 s LEU 249 CO 0.05 -1.65 0.96 -0.62 -1.89 0.00 0.00 176.35 173.20 3ie1 s ASP 250 N 3.88 6.79 0.00 3.68 -1.08 0.66 0.16 116.67 130.77 3ie1 s ASP 250 Ca 0.33 -2.59 0.00 0.00 -0.52 0.00 0.00 52.55 49.77 3ie1 s ASP 250 Cb -0.09 -2.28 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 3ie1 s ASP 250 CO 0.09 -0.72 0.00 -0.24 0.52 0.00 0.00 175.17 174.83 3ie1 n SER 251 N 4.80 0.00 -0.09 -0.34 2.88 -1.25 -3.40 113.62 116.23 3ie1 n SER 251 Ca 0.20 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.64 3ie1 n SER 251 Cb 0.47 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.90 3ie1 n SER 251 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3ie1 h PRO 252 N 0.00 0.40 0.42 -1.46 0.11 -1.84 -1.77 132.00 127.86 3ie1 h PRO 252 Ca 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3ie1 h PRO 252 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.04 3ie1 h PRO 252 CO 0.00 0.35 -0.20 1.98 -0.21 0.00 0.00 178.00 179.92 3ie1 h MET 253 N 0.35 -0.54 0.00 1.05 4.05 -1.97 0.38 114.93 118.25 3ie1 h MET 253 Ca 0.10 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 3ie1 h MET 253 Cb 0.07 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 3ie1 h MET 253 CO -0.02 -0.35 0.12 0.00 0.23 0.00 0.00 176.91 176.89 3ie1 n ALA 254 N -2.34 0.85 -0.05 0.39 0.00 -1.17 0.75 120.51 118.94 3ie1 n ALA 254 Ca -0.11 0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 3ie1 n ALA 254 Cb 0.24 -1.01 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 3ie1 n ALA 254 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie1 n GLY 255 N -1.32 -0.88 0.27 0.00 0.00 0.05 -3.40 105.19 99.91 3ie1 n GLY 255 Ca -0.01 -0.17 0.17 0.00 0.00 0.00 0.00 46.02 46.01 3ie1 n GLY 255 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ie1 h ARG 256 N 0.01 0.00 0.08 1.61 3.08 0.43 -1.99 114.38 117.61 3ie1 h ARG 256 Ca -0.41 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.37 3ie1 h ARG 256 Cb 2.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.12 3ie1 h ARG 256 CO 0.05 0.00 -1.27 0.28 -1.07 0.00 0.00 179.97 177.96 3ie1 h VAL 257 N 0.00 1.44 -0.73 2.04 2.07 -1.34 -2.84 116.25 116.90 3ie1 h VAL 257 Ca 0.00 -3.08 -0.03 0.00 0.82 0.00 0.00 66.70 64.41 3ie1 h VAL 257 Cb 0.51 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 3ie1 h VAL 257 CO 0.00 0.87 0.32 0.25 0.02 0.00 0.00 177.57 179.04 3ie1 h LEU 258 N 0.05 0.96 -0.69 2.57 5.85 -1.39 0.37 115.31 123.02 3ie1 h LEU 258 Ca -0.14 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.35 3ie1 h LEU 258 Cb 1.93 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.70 3ie1 h LEU 258 CO 0.17 0.83 -0.27 0.28 -0.34 0.00 0.00 178.44 179.11 3ie1 h SER 259 N 1.04 0.74 0.67 1.25 0.02 -1.45 -3.18 113.55 112.64 3ie1 h SER 259 Ca 0.25 -0.28 -0.23 0.00 -0.84 0.00 0.00 61.79 60.68 3ie1 h SER 259 Cb 0.14 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3ie1 h SER 259 CO -0.03 0.97 -1.06 0.25 -1.14 0.00 0.00 176.83 175.82 3ie1 h LEU 260 N 0.62 0.29 -0.89 5.07 5.85 -1.12 -3.36 115.31 121.78 3ie1 h LEU 260 Ca 0.08 -0.28 0.24 0.00 0.84 0.00 0.00 57.88 58.76 3ie1 h LEU 260 Cb 0.77 -0.09 -0.14 0.00 0.37 0.00 0.00 40.66 41.57 3ie1 h LEU 260 CO 0.06 1.17 0.25 1.88 -0.34 0.00 0.00 178.44 181.46 3ie1 h TYR 261 N 0.08 0.38 -0.56 1.25 0.99 -0.27 -2.01 116.97 116.82 3ie1 h TYR 261 Ca -0.08 0.05 0.05 0.00 2.00 0.00 0.00 58.73 60.75 3ie1 h TYR 261 Cb 1.76 -0.02 -0.05 0.00 1.00 0.00 0.00 36.73 39.42 3ie1 h TYR 261 CO 0.04 -0.21 0.29 -1.35 -0.00 0.00 0.00 178.16 176.93 3ie1 h PRO 262 N 0.21 0.54 0.00 4.88 0.11 -1.72 -1.98 132.00 134.04 3ie1 h PRO 262 Ca 0.56 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.64 3ie1 h PRO 262 Cb 1.15 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3ie1 h PRO 262 CO -0.66 0.36 -0.00 0.00 -0.21 0.00 0.00 178.00 177.49 3ie1 h ARG 263 N 0.56 0.00 -1.07 1.05 3.08 -1.60 -2.42 114.38 113.97 3ie1 h ARG 263 Ca 0.25 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.69 3ie1 h ARG 263 Cb 0.16 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 29.94 3ie1 h ARG 263 CO -0.17 0.00 0.78 1.28 -1.07 0.00 0.00 179.97 180.79 3ie1 n LEU 264 N -3.10 7.40 -0.29 3.04 4.32 -0.74 -4.79 117.00 122.84 3ie1 n LEU 264 Ca -0.03 -4.05 -0.09 0.00 -0.02 0.00 0.00 56.01 51.82 3ie1 n LEU 264 Cb 0.08 -0.97 -0.06 0.00 -1.62 0.00 0.00 43.42 40.85 3ie1 n LEU 264 CO 0.21 1.38 0.53 1.62 -1.22 0.00 0.00 177.39 179.91 3ie1 h VAL 265 N 0.99 0.03 0.00 4.08 3.04 -1.55 -1.87 116.25 120.97 3ie1 h VAL 265 Ca 0.56 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 66.23 3ie1 h VAL 265 Cb 1.05 0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.36 3ie1 h VAL 265 CO 1.42 0.00 -0.13 0.08 -1.01 0.00 0.00 177.57 177.93 3ie1 h ARG 266 N -0.16 0.00 -0.01 4.17 0.11 -1.90 -3.14 114.38 113.46 3ie1 h ARG 266 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.26 3ie1 h ARG 266 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 3ie1 h ARG 266 CO -0.79 0.13 0.00 0.66 0.10 0.00 0.00 179.97 180.07 3ie1 n TYR 267 N -3.58 0.00 -3.98 4.08 4.01 -0.70 -4.77 117.16 112.23 3ie1 n TYR 267 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 3ie1 n TYR 267 Cb 0.26 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.28 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 -0.49 -0.28 -2.17 -0.72 3.72 -1.19 -4.51 117.46 111.82 3ie1 n PHE 268 Ca 0.00 -0.70 -0.31 0.00 -0.05 0.00 0.00 57.45 56.38 3ie1 n PHE 268 Cb 0.00 -0.11 -0.01 0.00 -0.94 0.00 0.00 39.48 38.42 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 -1.85 6.41 0.21 4.37 1.04 -1.12 -4.43 113.70 118.34 3ie1 s SER 269 Ca 0.03 1.45 -0.16 0.00 0.48 0.00 0.00 55.95 57.75 3ie1 s SER 269 Cb -0.00 -2.47 0.23 0.00 0.10 0.00 0.00 66.02 63.87 3ie1 s SER 269 CO 0.02 -0.72 1.59 -0.33 0.98 0.00 0.00 173.24 174.78 3ie1 h GLU 270 N 0.29 -0.07 0.00 4.02 4.39 -1.93 -1.46 114.58 119.81 3ie1 h GLU 270 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 3ie1 h GLU 270 Cb 1.19 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3ie1 h GLU 270 CO 0.62 -0.05 0.00 -1.91 -1.16 0.00 0.00 179.01 176.51 3ie1 n GLU 271 N -5.47 0.00 -0.19 2.33 2.13 -1.26 -1.03 120.64 117.15 3ie1 n GLU 271 Ca 0.08 0.73 0.29 0.00 0.66 0.00 0.00 57.16 58.91 3ie1 n GLU 271 Cb 0.38 -1.32 0.55 0.00 0.27 0.00 0.00 31.44 31.32 3ie1 n GLU 271 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3ie1 h VAL 272 N 0.00 0.10 0.00 6.31 2.07 -1.54 1.59 116.25 124.78 3ie1 h VAL 272 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3ie1 h VAL 272 Cb 0.00 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 3ie1 h VAL 272 CO 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 177.57 176.98 3ie1 n GLN 273 N -3.43 0.17 -0.01 1.57 6.02 -0.20 -3.31 117.38 118.20 3ie1 n GLN 273 Ca 0.21 0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 57.12 3ie1 n GLN 273 Cb 1.35 -1.60 -0.10 0.00 1.02 0.00 0.00 30.24 30.91 3ie1 n GLN 273 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ie1 h ALA 274 N 2.71 -0.04 0.00 -1.58 0.00 0.31 0.41 119.26 121.07 3ie1 h ALA 274 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ie1 h ALA 274 Cb 0.64 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3ie1 h ALA 274 CO 0.00 -0.21 -0.02 0.45 0.00 0.00 0.00 179.25 179.47 3ie1 h HIS 275 N -0.66 0.00 0.24 0.00 3.86 -1.66 -0.03 115.15 116.90 3ie1 h HIS 275 Ca -0.00 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.87 3ie1 h HIS 275 Cb 0.61 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.11 3ie1 h HIS 275 CO 0.13 0.02 -1.49 0.74 0.86 0.00 0.00 177.93 178.19 3ie1 h PHE 276 N 0.00 0.94 -0.28 2.45 0.04 -1.51 0.82 116.94 119.39 3ie1 h PHE 276 Ca -0.00 -0.68 -0.02 0.00 2.80 0.00 0.00 57.97 60.07 3ie1 h PHE 276 Cb 0.04 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3ie1 h PHE 276 CO 0.00 1.55 0.11 1.25 -0.60 0.00 0.00 178.31 180.62 3ie1 h LEU 277 N 0.14 0.35 -3.35 1.54 5.85 0.16 -0.57 115.31 119.43 3ie1 h LEU 277 Ca -0.26 -0.03 -0.34 0.00 0.84 0.00 0.00 57.88 58.10 3ie1 h LEU 277 Cb 2.16 -0.09 -0.17 0.00 0.37 0.00 0.00 40.66 42.93 3ie1 h LEU 277 CO 0.27 0.33 0.44 0.00 -0.34 0.00 0.00 178.44 179.13 3ie1 n GLN 278 N -4.42 1.83 -4.21 1.25 1.13 -0.51 -4.88 117.38 107.57 3ie1 n GLN 278 Ca 0.01 -1.79 -0.30 0.00 -1.94 0.00 0.00 57.00 52.99 3ie1 n GLN 278 Cb 0.13 -1.70 -0.07 0.00 0.11 0.00 0.00 30.24 28.71 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 -0.15 -0.16 2.67 1.08 0.00 -0.22 -4.96 105.19 103.44 3ie1 n GLY 279 Ca 0.35 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 46.31 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 -7.12 0.03 -0.67 1.61 1.02 0.28 -5.01 119.74 109.88 3ie1 s LYS 280 Ca 0.04 0.15 -0.26 0.00 0.02 0.00 0.00 55.97 55.92 3ie1 s LYS 280 Cb -0.02 -1.22 -0.07 0.00 -0.52 0.00 0.00 37.83 36.00 3ie1 s LYS 280 CO 0.97 -0.53 2.17 1.21 -0.92 0.00 0.00 175.35 178.24 3ie1 s ASN 281 N 2.19 4.67 0.00 2.83 3.84 -1.26 -3.53 114.94 123.68 3ie1 s ASN 281 Ca 0.04 0.30 0.00 0.00 0.21 0.00 0.00 52.86 53.41 3ie1 s ASN 281 Cb -0.14 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.02 3ie1 s ASN 281 CO -0.07 -2.95 0.08 -0.81 -2.79 0.00 0.00 177.10 170.56 3ie1 n PRO 282 N 8.99 0.10 -0.45 0.43 -0.04 -1.26 -1.75 135.00 141.02 3ie1 n PRO 282 Ca 0.35 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.88 3ie1 n PRO 282 Cb 0.50 -1.02 0.12 0.00 -0.04 0.00 0.00 33.50 33.05 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 -0.07 0.00 -3.21 0.54 3.72 -1.22 -4.08 117.46 113.14 3ie1 n PHE 283 Ca 0.00 -0.87 -0.23 0.00 -0.05 0.00 0.00 57.45 56.30 3ie1 n PHE 283 Cb 0.01 -0.16 -0.06 0.00 -0.94 0.00 0.00 39.48 38.34 3ie1 n PHE 283 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3ie1 n ARG 284 N -0.85 1.16 -1.10 -1.08 1.74 -0.72 -4.71 116.66 111.10 3ie1 n ARG 284 Ca 0.12 -3.54 -0.33 0.00 -0.77 0.00 0.00 57.85 53.33 3ie1 n ARG 284 Cb 0.72 -1.53 0.13 0.00 -1.02 0.00 0.00 32.46 30.76 3ie1 n ARG 284 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3ie1 s PRO 285 N -1.79 1.63 0.05 5.56 0.04 -1.26 -4.86 135.00 134.37 3ie1 s PRO 285 Ca 0.38 1.70 -0.34 0.00 0.04 0.00 0.00 61.00 62.78 3ie1 s PRO 285 Cb 0.22 -1.78 -0.13 0.00 0.04 0.00 0.00 34.50 32.85 3ie1 s PRO 285 CO -0.09 -2.21 1.73 0.00 0.04 0.00 0.00 177.00 176.47 3ie1 n ALA 286 N -3.37 1.19 0.00 8.56 0.00 -1.26 -1.62 120.51 124.01 3ie1 n ALA 286 Ca 0.13 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3ie1 n ALA 286 Cb 0.51 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.52 3ie1 n ALA 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie1 n GLY 287 N 3.91 2.95 3.66 0.00 0.00 -1.26 -4.76 105.19 109.69 3ie1 n GLY 287 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3ie1 n GLY 287 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ie1 n LEU 288 N 0.00 3.39 -3.64 0.99 7.94 -0.64 -2.81 117.00 122.24 3ie1 n LEU 288 Ca 0.00 1.07 -0.10 0.00 -1.11 0.00 0.00 56.01 55.87 3ie1 n LEU 288 Cb 0.00 -1.43 -0.07 0.00 0.53 0.00 0.00 43.42 42.45 3ie1 n LEU 288 CO 0.00 -1.05 0.41 -0.70 -1.11 0.00 0.00 177.39 174.93 3ie1 s GLU 289 N -2.14 0.74 -0.29 1.96 2.56 -0.58 -4.94 118.70 116.01 3ie1 s GLU 289 Ca 0.63 1.09 -0.28 0.00 0.00 0.00 0.00 54.97 56.41 3ie1 s GLU 289 Cb -0.53 0.25 0.01 0.00 2.00 0.00 0.00 34.13 35.86 3ie1 s GLU 289 CO 0.57 -0.12 1.01 0.08 -0.56 0.00 0.00 175.26 176.23 3ie1 s VAL 290 N 1.08 4.62 -1.13 3.70 1.01 -1.25 0.11 120.40 128.53 3ie1 s VAL 290 Ca -0.06 1.71 -0.21 0.00 0.00 0.00 0.00 61.98 63.42 3ie1 s VAL 290 Cb -0.05 -4.33 0.06 0.00 0.00 0.00 0.00 36.38 32.06 3ie1 s VAL 290 CO -0.11 -0.35 1.56 -0.69 0.00 0.00 0.00 175.10 175.51 3ie1 s VAL 291 N 3.38 3.99 0.00 2.92 1.01 0.42 -4.91 120.40 127.22 3ie1 s VAL 291 Ca 0.42 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3ie1 s VAL 291 Cb -0.13 -5.11 0.00 0.00 0.00 0.00 0.00 36.38 31.14 3ie1 s VAL 291 CO 0.12 -1.97 0.00 -0.62 0.00 0.00 0.00 175.10 172.63 3ie1 n GLU 292 N 8.71 0.00 -2.45 2.72 -0.58 -1.26 -3.75 120.64 124.03 3ie1 n GLU 292 Ca 0.39 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.78 3ie1 n GLU 292 Cb 0.49 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.34 3ie1 n GLU 292 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3ie1 s HIS 293 N 0.00 2.92 0.59 -0.32 0.09 -1.26 -4.69 115.29 112.61 3ie1 s HIS 293 Ca 0.00 1.57 0.29 0.00 -0.00 0.00 0.00 55.06 56.92 3ie1 s HIS 293 Cb 0.00 -3.15 1.44 0.00 -0.00 0.00 0.00 32.58 30.87 3ie1 s HIS 293 CO 0.00 -1.07 1.85 1.15 -0.00 0.00 0.00 174.74 176.68 3ie1 h THR 294 N 1.53 0.35 -0.32 1.30 2.02 -1.98 -2.35 112.91 113.45 3ie1 h THR 294 Ca -0.50 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.76 3ie1 h THR 294 Cb 1.23 0.56 -0.08 0.00 -1.74 0.00 0.00 68.15 68.13 3ie1 h THR 294 CO 0.59 0.00 -0.26 1.05 0.37 0.00 0.00 175.52 177.26 3ie1 h GLU 295 N 0.00 -0.22 -0.00 6.66 4.11 -1.99 0.41 114.58 123.55 3ie1 h GLU 295 Ca 0.25 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.70 3ie1 h GLU 295 Cb 1.36 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.66 3ie1 h GLU 295 CO -0.00 -0.15 -0.03 0.00 0.07 0.00 0.00 179.01 178.89 3ie1 n ALA 296 N -2.89 2.50 -0.06 1.06 0.00 -0.89 -3.33 120.51 116.89 3ie1 n ALA 296 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.24 3ie1 n ALA 296 Cb 0.31 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 3ie1 n ALA 296 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ie1 h SER 297 N 0.05 0.00 0.00 0.00 0.87 -0.48 -3.27 113.55 110.72 3ie1 h SER 297 Ca 0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 3ie1 h SER 297 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3ie1 h SER 297 CO 0.00 0.71 0.01 0.11 -0.53 0.00 0.00 176.83 177.13 3ie1 h LYS 298 N -1.00 0.00 -0.18 2.24 1.79 -0.47 0.48 116.57 119.43 3ie1 h LYS 298 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3ie1 h LYS 298 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3ie1 h LYS 298 CO -0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 3ie1 n ALA 299 N -2.06 2.25 -0.02 3.86 0.00 -1.21 -2.84 120.51 120.49 3ie1 n ALA 299 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3ie1 n ALA 299 Cb 0.08 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.46 3ie1 n ALA 299 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ie1 n LEU 300 N -0.36 0.00 0.27 0.00 4.77 0.16 -3.07 117.00 118.77 3ie1 n LEU 300 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.15 3ie1 n LEU 300 Cb 0.05 0.11 0.68 0.00 -2.33 0.00 0.00 43.42 41.92 3ie1 n LEU 300 CO 0.00 0.11 0.99 0.78 -1.33 0.00 0.00 177.39 177.93 3ie1 h ASN 301 N 0.00 0.00 0.00 -1.43 2.35 -1.68 -3.23 115.58 111.60 3ie1 h ASN 301 Ca -0.12 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.52 3ie1 h ASN 301 Cb 0.98 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 3ie1 h ASN 301 CO 0.01 0.00 -1.43 -2.11 -1.65 0.00 0.00 177.43 172.25 3ie1 n ARG 302 N -3.01 2.85 -1.59 0.81 1.85 -1.26 -4.93 116.66 111.38 3ie1 n ARG 302 Ca 0.01 -0.00 -0.48 0.00 -1.00 0.00 0.00 57.85 56.37 3ie1 n ARG 302 Cb 0.29 -1.16 -0.04 0.00 -1.05 0.00 0.00 32.46 30.51 3ie1 n ARG 302 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3ie1 n ALA 303 N -2.26 -0.54 -2.17 2.89 0.00 -1.17 -4.89 120.51 112.36 3ie1 n ALA 303 Ca -0.10 0.46 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 3ie1 n ALA 303 Cb 0.70 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 3ie1 n ALA 303 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ie1 s PRO 304 N -0.41 4.50 0.39 0.00 0.04 -1.26 -4.93 135.00 133.33 3ie1 s PRO 304 Ca 0.72 1.80 -0.07 0.00 0.04 0.00 0.00 61.00 63.50 3ie1 s PRO 304 Cb -0.82 -3.28 0.09 0.00 0.04 0.00 0.00 34.50 30.52 3ie1 s PRO 304 CO 0.52 -0.10 0.50 0.41 0.04 0.00 0.00 177.00 178.36 3ie1 n GLY 305 N 2.49 -1.49 3.79 0.56 0.00 -1.25 -4.82 105.19 104.47 3ie1 n GLY 305 Ca 0.05 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 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 -4.09 2.79 -0.08 1.61 0.04 -1.16 -4.79 135.00 129.33 3ie1 s PRO 306 Ca 0.29 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 3ie1 s PRO 306 Cb -0.01 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 32.68 3ie1 s PRO 306 CO 0.20 -1.23 0.94 0.00 0.04 0.00 0.00 177.00 176.95 3ie1 s MET 307 N -4.56 0.72 -0.31 4.56 0.23 -1.25 -4.22 119.30 114.47 3ie1 s MET 307 Ca 0.62 -0.07 -0.10 0.00 -1.03 0.00 0.00 55.69 55.12 3ie1 s MET 307 Cb -0.17 0.33 -0.01 0.00 -1.53 0.00 0.00 34.83 33.45 3ie1 s MET 307 CO 0.48 -0.27 0.15 0.08 -2.03 0.00 0.00 175.02 173.43 3ie1 s VAL 308 N -2.12 4.64 -0.39 5.16 1.01 -0.76 0.11 120.40 128.05 3ie1 s VAL 308 Ca 0.01 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 3ie1 s VAL 308 Cb -0.01 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 33.04 3ie1 s VAL 308 CO -0.03 0.10 0.29 -0.69 0.00 0.00 0.00 175.10 174.76 3ie1 s VAL 309 N 1.63 5.27 -0.08 2.92 1.01 0.41 0.11 120.40 131.67 3ie1 s VAL 309 Ca 0.05 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3ie1 s VAL 309 Cb -0.17 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 3ie1 s VAL 309 CO 0.06 -0.24 -0.14 -0.76 0.00 0.00 0.00 175.10 174.02 3ie1 s LEU 310 N 1.69 2.71 -0.28 3.92 1.43 0.88 -0.13 118.68 128.90 3ie1 s LEU 310 Ca 0.05 -0.25 -0.36 0.00 -1.03 0.00 0.00 54.13 52.55 3ie1 s LEU 310 Cb -0.19 -1.57 0.16 0.00 0.03 0.00 0.00 46.19 44.63 3ie1 s LEU 310 CO 0.10 0.29 1.35 0.00 0.23 0.00 0.00 176.35 178.32 3ie1 s ALA 311 N -0.37 -2.17 0.30 4.21 0.00 -1.18 0.24 121.76 122.80 3ie1 s ALA 311 Ca 0.04 1.87 0.04 0.00 0.00 0.00 0.00 51.96 53.91 3ie1 s ALA 311 Cb -0.12 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 3ie1 s ALA 311 CO 0.02 -0.48 0.45 0.20 0.00 0.00 0.00 175.76 175.95 3ie1 s GLY 312 N -1.81 1.38 0.00 0.00 0.00 -1.18 0.42 107.32 106.13 3ie1 s GLY 312 Ca 0.11 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.59 3ie1 s GLY 312 CO -0.04 -1.20 0.00 -1.14 0.00 0.00 0.00 173.10 170.72 3ie1 n SER 313 N -1.60 -1.44 0.00 1.64 3.41 -1.11 -2.69 113.62 111.84 3ie1 n SER 313 Ca -0.05 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 3ie1 n SER 313 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3ie1 n SER 313 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ie1 n GLY 314 N 1.01 0.98 0.72 5.00 0.00 -1.24 -2.79 105.19 108.87 3ie1 n GLY 314 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.80 2.33 -1.62 1.61 2.81 -1.26 -4.69 117.12 115.50 3ie1 n MET 315 Ca 0.00 -1.95 -0.16 0.00 -1.81 0.00 0.00 57.70 53.78 3ie1 n MET 315 Cb 0.00 -1.31 -0.06 0.00 -0.71 0.00 0.00 33.22 31.14 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 0.74 -1.27 -1.62 4.03 4.77 -1.26 -4.58 117.00 117.81 3ie1 n LEU 316 Ca 0.12 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3ie1 n LEU 316 Cb 0.43 -2.32 0.00 0.00 -2.33 0.00 0.00 43.42 39.20 3ie1 n LEU 316 CO 0.09 -0.71 0.74 0.00 -1.33 0.00 0.00 177.39 176.18 3ie1 n ALA 317 N 0.71 3.34 0.00 -1.18 0.00 -1.26 -4.69 120.51 117.43 3ie1 n ALA 317 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3ie1 n ALA 317 Cb 0.55 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 1.62 -1.26 4.27 0.00 0.00 -1.26 -4.92 105.19 103.65 3ie1 n GLY 318 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 0.00 -1.76 1.66 -0.02 0.00 -1.26 -2.75 105.19 101.06 3ie1 n GLY 319 Ca 0.00 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 3ie1 n GLY 319 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ie1 n ARG 320 N 0.00 1.59 -0.01 1.61 0.63 -1.09 -3.90 116.66 115.49 3ie1 n ARG 320 Ca 0.00 -1.26 0.01 0.00 -0.92 0.00 0.00 57.85 55.68 3ie1 n ARG 320 Cb 0.00 -1.49 -0.04 0.00 0.45 0.00 0.00 32.46 31.37 3ie1 n ARG 320 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 3ie1 n ILE 321 N 0.17 0.13 0.78 5.15 0.13 -1.11 -4.57 119.36 120.05 3ie1 n ILE 321 Ca 0.25 -0.16 0.11 0.00 -1.10 0.00 0.00 62.75 61.85 3ie1 n ILE 321 Cb 0.78 -0.09 0.50 0.00 -0.84 0.00 0.00 39.64 39.98 3ie1 n ILE 321 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3ie1 n LEU 322 N -1.88 0.06 0.05 9.51 4.77 -1.25 -2.82 117.00 125.45 3ie1 n LEU 322 Ca -0.04 0.51 -0.13 0.00 -0.03 0.00 0.00 56.01 56.33 3ie1 n LEU 322 Cb 0.34 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 3ie1 n LEU 322 CO 0.11 -0.12 0.26 0.45 -1.33 0.00 0.00 177.39 176.77 3ie1 h HIS 323 N 0.00 0.65 -0.01 -1.77 3.86 -1.83 -2.62 115.15 113.43 3ie1 h HIS 323 Ca 0.00 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 3ie1 h HIS 323 Cb 0.42 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.80 3ie1 h HIS 323 CO 0.00 1.11 -0.04 0.72 0.86 0.00 0.00 177.93 180.59 3ie1 n HIS 324 N -3.81 0.00 0.04 2.45 8.25 -1.13 -3.38 115.22 117.65 3ie1 n HIS 324 Ca -0.06 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.48 3ie1 n HIS 324 Cb 0.77 -0.05 -0.11 0.00 1.12 0.00 0.00 29.99 31.72 3ie1 n HIS 324 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ie1 n LEU 325 N -0.53 0.05 0.14 2.41 4.32 -1.17 -3.97 117.00 118.24 3ie1 n LEU 325 Ca 0.19 -0.04 0.08 0.00 -0.02 0.00 0.00 56.01 56.23 3ie1 n LEU 325 Cb 0.25 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.10 3ie1 n LEU 325 CO 0.19 0.01 0.32 0.50 -1.22 0.00 0.00 177.39 177.20 3ie1 h LYS 326 N 0.00 0.00 -0.93 3.23 3.64 -1.49 -3.27 116.57 117.75 3ie1 h LYS 326 Ca 0.00 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.86 3ie1 h LYS 326 Cb 0.66 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 32.06 3ie1 h LYS 326 CO 0.00 0.15 -0.85 0.72 -2.27 0.00 0.00 179.45 177.20 3ie1 n HIS 327 N -2.96 2.68 0.13 1.91 8.25 -1.22 -4.75 115.22 119.26 3ie1 n HIS 327 Ca 0.00 -2.47 0.00 0.00 -0.26 0.00 0.00 57.72 54.99 3ie1 n HIS 327 Cb 0.63 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.61 -0.69 0.45 -1.41 0.00 -1.25 -4.89 105.19 96.79 3ie1 n GLY 328 Ca 0.37 0.10 0.28 0.00 0.00 0.00 0.00 46.02 46.77 3ie1 n GLY 328 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ie1 h LEU 329 N 0.00 0.31 -0.56 0.99 4.07 -1.78 0.53 115.31 118.86 3ie1 h LEU 329 Ca 0.00 0.07 0.11 0.00 0.08 0.00 0.00 57.88 58.14 3ie1 h LEU 329 Cb 0.00 0.03 -0.09 0.00 1.08 0.00 0.00 40.66 41.68 3ie1 h LEU 329 CO 0.00 0.02 0.02 0.77 -1.08 0.00 0.00 178.44 178.17 3ie1 h SER 330 N 0.25 -0.20 -3.81 -0.43 4.64 -1.74 -2.46 113.55 109.79 3ie1 h SER 330 Ca 0.63 0.13 -0.51 0.00 -0.47 0.00 0.00 61.79 61.57 3ie1 h SER 330 Cb 1.88 0.22 0.02 0.00 -0.31 0.00 0.00 62.40 64.22 3ie1 h SER 330 CO -0.25 -0.07 0.50 -0.62 -0.87 0.00 0.00 176.83 175.52 3ie1 s ASP 331 N -5.25 7.19 0.00 4.97 3.68 0.18 -4.63 116.67 122.81 3ie1 s ASP 331 Ca -0.13 2.33 0.20 0.00 2.13 0.00 0.00 52.55 57.07 3ie1 s ASP 331 Cb 0.17 -2.63 0.53 0.00 -1.45 0.00 0.00 42.92 39.54 3ie1 s ASP 331 CO 0.73 -0.20 1.44 -0.81 0.13 0.00 0.00 175.17 176.46 3ie1 n PRO 332 N 1.15 2.22 0.00 4.34 -0.04 -1.26 -3.24 135.00 138.17 3ie1 n PRO 332 Ca -0.01 -1.88 0.10 0.00 -0.04 0.00 0.00 63.50 61.68 3ie1 n PRO 332 Cb 0.44 -1.44 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 3ie1 n PRO 332 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ie1 n ARG 333 N 1.05 0.07 -3.66 0.54 1.74 -1.26 -4.68 116.66 110.46 3ie1 n ARG 333 Ca 0.18 -0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 56.86 3ie1 n ARG 333 Cb 0.48 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.36 3ie1 n ARG 333 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ie1 s ASN 334 N -2.97 6.58 -0.17 0.55 4.22 -1.26 -4.16 114.94 117.73 3ie1 s ASN 334 Ca 0.09 0.69 -0.02 0.00 -2.14 0.00 0.00 52.86 51.48 3ie1 s ASN 334 Cb 0.16 -2.14 -0.01 0.00 1.28 0.00 0.00 41.25 40.54 3ie1 s ASN 334 CO 0.84 0.22 -0.09 0.00 -2.04 0.00 0.00 177.10 176.02 3ie1 s ALA 335 N -1.34 2.71 -0.16 3.54 0.00 -0.92 -1.78 121.76 123.81 3ie1 s ALA 335 Ca 0.30 -1.01 -0.17 0.00 0.00 0.00 0.00 51.96 51.09 3ie1 s ALA 335 Cb -0.14 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 3ie1 s ALA 335 CO 0.17 -0.05 0.43 -1.17 0.00 0.00 0.00 175.76 175.14 3ie1 s LEU 336 N 0.83 4.22 -0.12 0.00 0.20 -0.47 -1.68 118.68 121.66 3ie1 s LEU 336 Ca -0.03 0.66 -0.01 0.00 0.69 0.00 0.00 54.13 55.44 3ie1 s LEU 336 Cb -0.15 -2.59 0.03 0.00 -0.43 0.00 0.00 46.19 43.06 3ie1 s LEU 336 CO 0.01 -0.02 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.32 3ie1 s VAL 337 N 0.90 0.81 -0.08 1.68 1.01 -0.40 0.44 120.40 124.76 3ie1 s VAL 337 Ca 0.22 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 3ie1 s VAL 337 Cb -0.15 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3ie1 s VAL 337 CO 0.08 0.21 0.61 -0.36 0.00 0.00 0.00 175.10 175.64 3ie1 s PHE 338 N 1.78 3.56 -0.11 5.22 0.08 0.63 -4.43 117.98 124.71 3ie1 s PHE 338 Ca 0.03 1.12 0.13 0.00 0.12 0.00 0.00 56.93 58.33 3ie1 s PHE 338 Cb -0.14 -2.70 -0.18 0.00 -0.57 0.00 0.00 43.02 39.43 3ie1 s PHE 338 CO -0.07 0.14 0.10 1.33 -0.10 0.00 0.00 175.22 176.62 3ie1 n VAL 339 N 3.65 0.77 -4.28 -0.44 0.24 -1.26 -2.37 118.33 114.64 3ie1 n VAL 339 Ca -0.04 -0.54 -0.23 0.00 -2.04 0.00 0.00 64.34 61.49 3ie1 n VAL 339 Cb 0.51 -0.48 -0.07 0.00 -1.47 0.00 0.00 33.84 32.33 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 -4.51 1.74 0.24 7.63 0.00 -1.26 -3.55 107.32 107.61 3ie1 s GLY 340 Ca -0.07 -1.71 -0.31 0.00 0.00 0.00 0.00 44.72 42.63 3ie1 s GLY 340 CO 0.57 -1.75 1.36 2.98 0.00 0.00 0.00 173.10 176.26 3ie1 n TYR 341 N -0.93 2.05 -4.20 1.90 4.19 -1.26 -4.98 117.16 113.92 3ie1 n TYR 341 Ca -0.06 0.48 -0.34 0.00 3.31 0.00 0.00 57.90 61.29 3ie1 n TYR 341 Cb 0.60 -2.43 -0.13 0.00 0.49 0.00 0.00 39.34 37.86 3ie1 n TYR 341 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 3ie1 s GLN 342 N -0.59 3.51 -0.10 2.98 -1.52 -1.26 -4.83 119.66 117.86 3ie1 s GLN 342 Ca 0.67 -0.58 -0.29 0.00 -1.95 0.00 0.00 55.36 53.21 3ie1 s GLN 342 Cb -0.66 -2.95 -0.02 0.00 -0.22 0.00 0.00 33.01 29.16 3ie1 s GLN 342 CO 0.51 0.02 0.96 -1.25 -0.25 0.00 0.00 175.29 175.29 3ie1 s PRO 343 N 0.92 4.43 1.07 2.91 0.04 -1.26 -4.84 135.00 138.26 3ie1 s PRO 343 Ca -0.00 1.31 -0.19 0.00 0.04 0.00 0.00 61.00 62.16 3ie1 s PRO 343 Cb -0.15 -3.53 0.04 0.00 0.04 0.00 0.00 34.50 30.90 3ie1 s PRO 343 CO 0.01 -0.25 -0.21 0.00 0.04 0.00 0.00 177.00 176.59 3ie1 n GLN 344 N 4.80 -1.07 -2.87 4.56 10.64 -1.26 -2.39 117.38 129.79 3ie1 n GLN 344 Ca 0.07 -0.29 -0.21 0.00 -1.83 0.00 0.00 57.00 54.74 3ie1 n GLN 344 Cb 0.49 -1.59 0.01 0.00 -0.86 0.00 0.00 30.24 28.30 3ie1 n GLN 344 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3ie1 n GLY 345 N 2.23 -0.51 3.11 2.61 0.00 -1.26 -4.94 105.19 106.43 3ie1 n GLY 345 Ca 0.01 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.48 0.61 0.13 -0.02 0.00 -1.00 -5.00 107.32 99.55 3ie1 s GLY 346 Ca 0.22 -1.02 0.06 0.00 0.00 0.00 0.00 44.72 43.97 3ie1 s GLY 346 CO 0.27 -1.10 1.03 -0.10 0.00 0.00 0.00 173.10 173.20 3ie1 n LEU 347 N 0.79 0.15 -0.06 0.66 7.94 -1.26 -1.42 117.00 123.79 3ie1 n LEU 347 Ca -0.18 0.43 -0.05 0.00 -1.11 0.00 0.00 56.01 55.10 3ie1 n LEU 347 Cb 0.57 -0.41 -0.03 0.00 0.53 0.00 0.00 43.42 44.09 3ie1 n LEU 347 CO 0.25 -0.48 -0.10 1.23 -1.11 0.00 0.00 177.39 177.18 3ie1 h GLY 348 N 0.00 0.00 1.40 -3.96 0.00 -1.85 -2.97 103.07 95.68 3ie1 h GLY 348 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3ie1 h GLY 348 CO 0.00 0.00 0.30 0.00 0.00 0.00 0.00 176.54 176.84 3ie1 h ALA 349 N -0.83 1.34 0.04 3.60 0.00 -1.44 0.16 119.26 122.12 3ie1 h ALA 349 Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ie1 h ALA 349 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3ie1 h ALA 349 CO -0.02 -0.31 -0.02 1.49 0.00 0.00 0.00 179.25 180.40 3ie1 h GLU 350 N 0.00 -0.05 0.00 0.00 4.81 -1.54 -3.00 114.58 114.80 3ie1 h GLU 350 Ca 0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3ie1 h GLU 350 Cb 0.60 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 3ie1 h GLU 350 CO -0.00 0.58 -0.14 0.82 -0.73 0.00 0.00 179.01 179.55 3ie1 h ILE 351 N -0.93 0.44 0.00 2.32 2.04 -0.86 -2.04 117.51 118.50 3ie1 h ILE 351 Ca -0.01 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3ie1 h ILE 351 Cb 0.66 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3ie1 h ILE 351 CO 0.01 0.13 0.00 0.40 0.00 0.00 0.00 178.15 178.69 3ie1 h ILE 352 N 0.00 0.00 0.00 -0.67 2.04 -0.86 -3.06 117.51 114.97 3ie1 h ILE 352 Ca -0.00 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3ie1 h ILE 352 Cb 0.50 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 3ie1 h ILE 352 CO 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 178.15 177.93 3ie1 h ALA 353 N 2.16 0.87 -4.11 1.87 0.00 -1.22 -3.48 119.26 115.36 3ie1 h ALA 353 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3ie1 h ALA 353 Cb 0.88 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.77 3ie1 h ALA 353 CO 0.00 0.00 -0.45 -2.13 0.00 0.00 0.00 179.25 176.67 3ie1 n ARG 354 N -2.76 -4.03 -1.22 0.00 3.00 -1.16 -5.02 116.66 105.48 3ie1 n ARG 354 Ca 0.04 0.50 -0.31 0.00 -0.00 0.00 0.00 57.85 58.07 3ie1 n ARG 354 Cb 0.50 -4.49 0.10 0.00 0.00 0.00 0.00 32.46 28.57 3ie1 n ARG 354 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3ie1 s PRO 355 N -4.95 2.13 0.64 -0.14 0.04 -1.26 -4.88 135.00 126.59 3ie1 s PRO 355 Ca 0.05 1.24 0.29 0.00 0.04 0.00 0.00 61.00 62.62 3ie1 s PRO 355 Cb -0.02 -1.88 1.58 0.00 0.04 0.00 0.00 34.50 34.22 3ie1 s PRO 355 CO 0.43 -1.75 1.92 -1.00 0.04 0.00 0.00 177.00 176.65 3ie1 h PRO 356 N -1.13 0.00 -2.12 0.56 0.13 -1.96 -3.42 132.00 124.07 3ie1 h PRO 356 Ca -0.44 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.90 3ie1 h PRO 356 Cb 1.24 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.27 3ie1 h PRO 356 CO 0.50 0.00 0.57 0.00 -0.23 0.00 0.00 178.00 178.84 3ie1 s ALA 357 N -4.31 -1.80 -0.02 -0.56 0.00 -1.26 -4.14 121.76 109.67 3ie1 s ALA 357 Ca -0.04 0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 3ie1 s ALA 357 Cb 0.11 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.79 3ie1 s ALA 357 CO 0.38 -1.02 0.05 0.08 0.00 0.00 0.00 175.76 175.25 3ie1 s VAL 358 N -3.07 0.01 -0.47 0.00 1.01 -0.06 -4.91 120.40 112.91 3ie1 s VAL 358 Ca 0.12 -0.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 3ie1 s VAL 358 Cb 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 36.38 36.31 3ie1 s VAL 358 CO 0.00 -0.04 0.86 -0.60 0.00 0.00 0.00 175.10 175.31 3ie1 s ARG 359 N -0.11 3.42 -0.20 2.72 3.52 -1.26 0.80 118.95 127.83 3ie1 s ARG 359 Ca -0.01 -0.07 -0.03 0.00 -0.13 0.00 0.00 55.73 55.49 3ie1 s ARG 359 Cb -0.01 -3.96 0.06 0.00 -1.56 0.00 0.00 34.95 29.48 3ie1 s ARG 359 CO 0.00 -1.23 0.04 0.42 -0.81 0.00 0.00 175.30 173.73 3ie1 s ILE 360 N 3.55 0.55 -0.30 4.11 1.01 -1.26 -4.92 121.20 123.94 3ie1 s ILE 360 Ca 0.32 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.31 3ie1 s ILE 360 Cb -0.12 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.27 3ie1 s ILE 360 CO 0.23 -0.25 0.32 0.18 0.00 0.00 0.00 174.94 175.41 3ie1 n LEU 361 N 5.04 -4.48 -3.76 2.97 4.32 -1.26 -4.37 117.00 115.46 3ie1 n LEU 361 Ca -0.08 0.07 -0.26 0.00 -0.02 0.00 0.00 56.01 55.71 3ie1 n LEU 361 Cb 0.47 -2.12 0.00 0.00 -1.62 0.00 0.00 43.42 40.15 3ie1 n LEU 361 CO 0.13 -0.74 -0.26 0.61 -1.22 0.00 0.00 177.39 175.91 3ie1 n GLY 362 N -1.04 -1.15 0.00 -0.72 0.00 -1.26 -4.85 105.19 96.17 3ie1 n GLY 362 Ca 0.02 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -2.37 0.00 -3.52 1.61 2.13 -1.26 -5.15 120.64 112.08 3ie1 n GLU 363 Ca -0.30 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.52 3ie1 n GLU 363 Cb 0.69 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.35 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 -0.45 0.36 0.09 5.31 2.56 -1.26 -4.17 118.70 121.14 3ie1 s GLU 364 Ca 0.00 0.79 0.08 0.00 0.00 0.00 0.00 54.97 55.84 3ie1 s GLU 364 Cb 0.00 0.34 -0.04 0.00 2.00 0.00 0.00 34.13 36.43 3ie1 s GLU 364 CO 0.00 -0.10 -0.18 0.14 -0.56 0.00 0.00 175.26 174.56 3ie1 s VAL 365 N 2.07 2.84 0.22 3.70 -7.23 0.24 -4.85 120.40 117.39 3ie1 s VAL 365 Ca -0.05 -1.38 -0.30 0.00 -1.81 0.00 0.00 61.98 58.43 3ie1 s VAL 365 Cb -0.06 -2.26 -0.09 0.00 0.56 0.00 0.00 36.38 34.53 3ie1 s VAL 365 CO -0.17 0.19 1.32 -2.84 -0.31 0.00 0.00 175.10 173.29 3ie1 s PRO 366 N -1.89 4.38 -1.06 4.82 0.02 -1.26 -0.88 135.00 139.14 3ie1 s PRO 366 Ca 0.17 2.10 -0.02 0.00 0.02 0.00 0.00 61.00 63.27 3ie1 s PRO 366 Cb -0.11 -3.17 0.31 0.00 0.02 0.00 0.00 34.50 31.55 3ie1 s PRO 366 CO 0.08 -0.25 1.82 -0.11 -0.33 0.00 0.00 177.00 178.21 3ie1 n LEU 367 N 2.38 7.29 0.05 -5.54 7.94 -1.26 -2.30 117.00 125.56 3ie1 n LEU 367 Ca 0.05 -5.33 0.12 0.00 -1.11 0.00 0.00 56.01 49.74 3ie1 n LEU 367 Cb 0.42 -1.20 0.07 0.00 0.53 0.00 0.00 43.42 43.25 3ie1 n LEU 367 CO 0.58 2.00 0.11 0.54 -1.11 0.00 0.00 177.39 179.51 3ie1 n ARG 368 N 0.25 0.36 -1.88 1.96 1.74 -0.94 -4.92 116.66 113.23 3ie1 n ARG 368 Ca 0.45 0.05 -0.36 0.00 -0.77 0.00 0.00 57.85 57.22 3ie1 n ARG 368 Cb 0.27 -1.67 0.05 0.00 -1.02 0.00 0.00 32.46 30.09 3ie1 n ARG 368 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ie1 s ALA 369 N -3.23 2.46 -0.74 7.54 0.00 -1.13 -4.55 121.76 122.11 3ie1 s ALA 369 Ca 0.03 1.10 -0.21 0.00 0.00 0.00 0.00 51.96 52.89 3ie1 s ALA 369 Cb 0.13 -3.50 0.09 0.00 0.00 0.00 0.00 23.12 19.85 3ie1 s ALA 369 CO 0.77 -1.37 0.98 -1.54 0.00 0.00 0.00 175.76 174.60 3ie1 s SER 370 N -1.51 6.32 0.32 0.00 1.04 -0.73 -4.82 113.70 114.32 3ie1 s SER 370 Ca 0.80 -1.40 -0.21 0.00 0.48 0.00 0.00 55.95 55.62 3ie1 s SER 370 Cb -0.34 -2.40 -0.10 0.00 0.10 0.00 0.00 66.02 63.29 3ie1 s SER 370 CO 0.36 -1.27 0.84 -0.69 0.98 0.00 0.00 173.24 173.46 3ie1 s VAL 371 N 3.42 4.46 -0.02 5.02 1.01 -1.25 -1.37 120.40 131.67 3ie1 s VAL 371 Ca 0.24 1.39 -0.07 0.00 0.00 0.00 0.00 61.98 63.54 3ie1 s VAL 371 Cb -0.14 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.47 3ie1 s VAL 371 CO 0.03 -0.04 0.16 -1.00 0.00 0.00 0.00 175.10 174.25 3ie1 s HIS 372 N -1.82 -0.04 -0.71 5.22 3.76 0.17 -4.90 115.29 116.98 3ie1 s HIS 372 Ca 0.52 0.05 0.02 0.00 -0.15 0.00 0.00 55.06 55.51 3ie1 s HIS 372 Cb -0.14 -0.01 0.17 0.00 1.11 0.00 0.00 32.58 33.72 3ie1 s HIS 372 CO 0.19 -0.24 0.51 0.99 -0.85 0.00 0.00 174.74 175.34 3ie1 s THR 373 N -0.98 3.33 -0.94 1.30 2.01 -1.26 -0.26 115.64 118.83 3ie1 s THR 373 Ca -0.11 -3.81 -0.24 0.00 0.31 0.00 0.00 61.69 57.84 3ie1 s THR 373 Cb -0.06 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 3ie1 s THR 373 CO 0.01 -0.97 1.82 -0.76 -0.69 0.00 0.00 174.62 174.03 3ie1 s LEU 374 N -1.02 3.25 -0.67 4.42 1.43 -1.00 -4.84 118.68 120.26 3ie1 s LEU 374 Ca 0.23 -0.91 -0.05 0.00 -1.03 0.00 0.00 54.13 52.37 3ie1 s LEU 374 Cb -0.12 -2.56 -0.08 0.00 0.03 0.00 0.00 46.19 43.46 3ie1 s LEU 374 CO -0.10 -2.43 2.18 0.61 0.23 0.00 0.00 176.35 176.84 3ie1 n GLY 375 N 6.83 2.86 0.00 -3.19 0.00 -1.26 -3.36 105.19 107.06 3ie1 n GLY 375 Ca 0.39 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3ie1 n GLY 375 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie1 n GLY 376 N 3.46 0.00 0.07 -0.02 0.00 -1.26 -1.24 105.19 106.19 3ie1 n GLY 376 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.18 0.03 -1.68 1.61 3.01 -1.21 -4.87 117.46 114.16 3ie1 n PHE 377 Ca 0.00 -0.01 -0.45 0.00 1.01 0.00 0.00 57.45 57.99 3ie1 n PHE 377 Cb 0.00 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.42 3ie1 n PHE 377 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3ie1 n SER 378 N -0.41 3.56 -0.34 4.37 2.88 -1.23 -4.79 113.62 117.66 3ie1 n SER 378 Ca 0.01 1.02 0.09 0.00 -1.33 0.00 0.00 58.87 58.65 3ie1 n SER 378 Cb 0.03 -1.46 0.39 0.00 -0.75 0.00 0.00 64.21 62.42 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 3.99 -0.20 0.00 0.46 0.00 -1.26 -4.64 105.19 103.54 3ie1 n GLY 379 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3ie1 n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie1 n ALA 380 N -0.09 0.00 -3.33 4.61 0.00 -1.26 -4.29 120.51 116.14 3ie1 n ALA 380 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.34 3ie1 n ALA 380 Cb 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.50 3ie1 n ALA 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ie1 s ALA 381 N -2.44 1.21 0.63 0.00 0.00 -1.26 -0.05 121.76 119.85 3ie1 s ALA 381 Ca 0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 51.96 51.38 3ie1 s ALA 381 Cb 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 3ie1 s ALA 381 CO 0.00 0.14 1.11 0.20 0.00 0.00 0.00 175.76 177.20 3ie1 s GLY 382 N 0.52 2.22 0.17 0.00 0.00 -1.26 -4.45 107.32 104.52 3ie1 s GLY 382 Ca -0.11 0.57 -0.28 0.00 0.00 0.00 0.00 44.72 44.89 3ie1 s GLY 382 CO 0.03 0.92 1.54 -1.61 0.00 0.00 0.00 173.10 173.98 3ie1 h GLN 383 N 0.25 -0.04 -1.07 2.90 4.15 -1.41 0.44 115.11 120.32 3ie1 h GLN 383 Ca -0.47 0.00 0.29 0.00 0.77 0.00 0.00 58.65 59.24 3ie1 h GLN 383 Cb 1.25 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.84 3ie1 h GLN 383 CO 0.55 -0.03 0.68 0.38 -1.93 0.00 0.00 178.83 178.48 3ie1 h ASP 384 N -0.04 0.44 0.24 -0.69 -0.00 -1.87 0.44 116.42 114.94 3ie1 h ASP 384 Ca 0.19 0.10 -0.01 0.00 -0.00 0.00 0.00 57.03 57.31 3ie1 h ASP 384 Cb 0.47 0.04 0.00 0.00 -0.00 0.00 0.00 39.33 39.84 3ie1 h ASP 384 CO -0.91 0.04 -0.12 -0.33 -0.00 0.00 0.00 179.24 177.92 3ie1 h GLU 385 N 0.36 -0.31 -0.17 4.15 5.08 -0.51 -0.94 114.58 122.25 3ie1 h GLU 385 Ca 0.64 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 59.07 3ie1 h GLU 385 Cb 1.64 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 3ie1 h GLU 385 CO -0.35 0.00 0.20 -0.07 -1.00 0.00 0.00 179.01 177.79 3ie1 h LEU 386 N -0.65 0.00 -0.16 1.33 4.07 0.40 0.31 115.31 120.60 3ie1 h LEU 386 Ca -0.03 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.70 3ie1 h LEU 386 Cb 0.46 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.21 3ie1 h LEU 386 CO 0.05 0.00 -0.91 -0.07 -1.08 0.00 0.00 178.44 176.44 3ie1 h LEU 387 N 0.00 0.70 0.53 1.67 3.38 0.21 -3.06 115.31 118.75 3ie1 h LEU 387 Ca 0.08 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 3ie1 h LEU 387 Cb 0.48 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.02 3ie1 h LEU 387 CO -0.00 1.32 -0.25 0.44 0.09 0.00 0.00 178.44 180.03 3ie1 h ASP 388 N 0.34 -0.60 -0.89 -0.43 3.45 0.93 -2.78 116.42 116.44 3ie1 h ASP 388 Ca -0.08 0.02 0.10 0.00 0.43 0.00 0.00 57.03 57.50 3ie1 h ASP 388 Cb 1.53 0.16 -0.12 0.00 -0.56 0.00 0.00 39.33 40.34 3ie1 h ASP 388 CO 0.17 -0.30 -0.53 -0.25 -1.57 0.00 0.00 179.24 176.75 3ie1 h TRP 389 N -0.96 -1.66 0.00 4.55 7.01 -1.34 0.65 115.95 124.19 3ie1 h TRP 389 Ca -0.07 0.12 0.00 0.00 2.11 0.00 0.00 58.89 61.04 3ie1 h TRP 389 Cb 0.55 0.85 0.00 0.00 -2.10 0.00 0.00 29.16 28.45 3ie1 h TRP 389 CO 0.04 -0.40 0.00 1.28 -2.79 0.00 0.00 178.44 176.57 3ie1 n LEU 390 N -5.32 0.00 -4.68 0.65 4.32 -1.15 -4.70 117.00 106.12 3ie1 n LEU 390 Ca 0.03 0.08 -0.48 0.00 -0.02 0.00 0.00 56.01 55.62 3ie1 n LEU 390 Cb 0.30 -0.08 -0.05 0.00 -1.62 0.00 0.00 43.42 41.98 3ie1 n LEU 390 CO -0.12 -0.04 1.39 1.67 -1.22 0.00 0.00 177.39 179.07 3ie1 n GLN 391 N -1.08 2.10 0.00 3.23 0.00 0.23 -1.81 117.38 120.04 3ie1 n GLN 391 Ca 0.09 0.76 0.00 0.00 -0.00 0.00 0.00 57.00 57.86 3ie1 n GLN 391 Cb 0.07 -2.58 0.00 0.00 0.00 0.00 0.00 30.24 27.73 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 4.10 3.21 3.69 1.69 0.00 -1.26 -5.03 105.19 111.59 3ie1 n GLY 392 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.50 4.36 0.09 1.61 0.41 -0.75 -4.96 118.70 118.96 3ie1 s GLU 393 Ca 0.00 1.74 -0.20 0.00 -0.41 0.00 0.00 54.97 56.10 3ie1 s GLU 393 Cb 0.00 -3.50 -0.09 0.00 -1.78 0.00 0.00 34.13 28.76 3ie1 s GLU 393 CO 0.00 -0.41 1.61 -1.00 -0.49 0.00 0.00 175.26 174.97 3ie1 h PRO 394 N 7.34 0.31 -4.61 0.39 0.13 -1.89 -3.44 132.00 130.23 3ie1 h PRO 394 Ca -0.37 -0.06 -0.57 0.00 -0.87 0.00 0.00 66.00 64.13 3ie1 h PRO 394 Cb 1.18 -0.05 -0.35 0.00 0.13 0.00 0.00 31.00 31.91 3ie1 h PRO 394 CO 0.86 0.39 -0.83 0.50 -0.23 0.00 0.00 178.00 178.70 3ie1 s ARG 395 N -5.46 2.04 0.18 0.86 3.52 -1.26 -0.16 118.95 118.67 3ie1 s ARG 395 Ca -0.14 -0.49 0.11 0.00 -0.13 0.00 0.00 55.73 55.09 3ie1 s ARG 395 Cb 0.07 -1.81 -0.04 0.00 -1.56 0.00 0.00 34.95 31.61 3ie1 s ARG 395 CO 0.71 -0.12 -0.22 0.08 -0.81 0.00 0.00 175.30 174.94 3ie1 s VAL 396 N 1.17 2.47 -0.42 7.11 1.01 -0.84 -1.76 120.40 129.14 3ie1 s VAL 396 Ca -0.03 -1.91 0.06 0.00 0.00 0.00 0.00 61.98 60.10 3ie1 s VAL 396 Cb -0.14 -2.17 0.20 0.00 0.00 0.00 0.00 36.38 34.27 3ie1 s VAL 396 CO -0.04 -0.07 0.43 0.52 0.00 0.00 0.00 175.10 175.95 3ie1 n VAL 397 N 0.39 -0.80 -1.31 2.92 0.31 -0.48 -2.86 118.33 116.50 3ie1 n VAL 397 Ca -0.13 -3.77 -0.42 0.00 -0.01 0.00 0.00 64.34 60.01 3ie1 n VAL 397 Cb 0.55 -1.81 -0.00 0.00 -0.91 0.00 0.00 33.84 31.67 3ie1 n VAL 397 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3ie1 n LEU 398 N 2.17 -2.65 0.00 7.52 4.32 -0.98 -3.91 117.00 123.47 3ie1 n LEU 398 Ca 0.26 0.80 -0.04 0.00 -0.02 0.00 0.00 56.01 57.02 3ie1 n LEU 398 Cb 0.49 -0.90 0.01 0.00 -1.62 0.00 0.00 43.42 41.40 3ie1 n LEU 398 CO 0.14 -4.13 0.22 1.33 -1.22 0.00 0.00 177.39 173.73 3ie1 n VAL 399 N -1.06 0.00 -3.84 4.08 0.24 0.65 -2.34 118.33 116.05 3ie1 n VAL 399 Ca 0.11 -0.40 -0.32 0.00 -2.04 0.00 0.00 64.34 61.69 3ie1 n VAL 399 Cb 0.41 0.41 0.02 0.00 -1.47 0.00 0.00 33.84 33.20 3ie1 n VAL 399 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3ie1 n HIS 400 N -0.22 -1.73 -3.76 6.34 -0.00 -0.63 -1.27 115.22 113.95 3ie1 n HIS 400 Ca -0.04 0.49 -0.03 0.00 -0.00 0.00 0.00 57.72 58.14 3ie1 n HIS 400 Cb 0.24 -3.42 -0.01 0.00 -0.00 0.00 0.00 29.99 26.81 3ie1 n HIS 400 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 3ie1 s GLY 401 N -3.78 -0.19 0.16 1.57 0.00 0.56 -1.97 107.32 103.67 3ie1 s GLY 401 Ca 0.32 0.12 -0.29 0.00 0.00 0.00 0.00 44.72 44.86 3ie1 s GLY 401 CO 0.89 0.52 0.93 -0.54 0.00 0.00 0.00 173.10 174.90 3ie1 s GLU 402 N -2.92 4.75 0.32 2.90 2.02 -1.26 -1.12 118.70 123.37 3ie1 s GLU 402 Ca 0.15 1.43 0.12 0.00 0.02 0.00 0.00 54.97 56.68 3ie1 s GLU 402 Cb -0.01 -3.33 1.02 0.00 0.10 0.00 0.00 34.13 31.91 3ie1 s GLU 402 CO 0.02 0.37 1.45 -1.91 0.02 0.00 0.00 175.26 175.21 3ie1 n GLU 403 N 2.18 -0.06 -0.02 1.61 2.13 -1.16 0.33 120.64 125.66 3ie1 n GLU 403 Ca -0.00 1.32 -0.13 0.00 0.66 0.00 0.00 57.16 59.01 3ie1 n GLU 403 Cb 0.48 -2.25 -0.09 0.00 0.27 0.00 0.00 31.44 29.85 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 0.06 -0.29 5.31 3.07 -1.91 -1.99 114.58 118.83 3ie1 h GLU 404 Ca 0.69 -0.03 0.06 0.00 -0.50 0.00 0.00 59.36 59.58 3ie1 h GLU 404 Cb 1.68 -0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.51 3ie1 h GLU 404 CO -0.78 0.48 -0.37 0.87 -1.40 0.00 0.00 179.01 177.81 3ie1 h LYS 405 N -0.35 -0.34 0.00 2.33 1.79 -0.47 -1.14 116.57 118.39 3ie1 h LYS 405 Ca 0.01 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 3ie1 h LYS 405 Cb 0.46 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 3ie1 h LYS 405 CO 0.00 -0.23 0.00 1.28 -1.08 0.00 0.00 179.45 179.43 3ie1 n LEU 406 N -5.42 0.00 -0.32 2.94 4.32 -0.33 -2.14 117.00 116.06 3ie1 n LEU 406 Ca -0.01 0.85 0.26 0.00 -0.02 0.00 0.00 56.01 57.09 3ie1 n LEU 406 Cb 0.34 -0.35 0.43 0.00 -1.62 0.00 0.00 43.42 42.22 3ie1 n LEU 406 CO 0.09 -0.35 0.77 0.18 -1.22 0.00 0.00 177.39 176.86 3ie1 n LEU 407 N -1.78 0.10 0.06 2.23 4.32 -0.75 0.69 117.00 121.87 3ie1 n LEU 407 Ca 0.00 0.78 -0.02 0.00 -0.02 0.00 0.00 56.01 56.74 3ie1 n LEU 407 Cb 0.00 -0.38 -0.01 0.00 -1.62 0.00 0.00 43.42 41.41 3ie1 n LEU 407 CO 0.00 -0.83 0.44 0.00 -1.22 0.00 0.00 177.39 175.78 3ie1 h ALA 408 N 0.87 -0.92 -0.92 -1.18 0.00 -0.67 -1.94 119.26 114.50 3ie1 h ALA 408 Ca 0.54 -0.03 0.25 0.00 0.00 0.00 0.00 54.91 55.66 3ie1 h ALA 408 Cb 1.83 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.63 3ie1 h ALA 408 CO -0.22 -0.90 0.64 1.25 0.00 0.00 0.00 179.25 180.02 3ie1 h LEU 409 N -0.18 0.18 -0.77 0.00 6.46 0.25 0.54 115.31 121.78 3ie1 h LEU 409 Ca -0.02 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3ie1 h LEU 409 Cb 0.12 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 3ie1 h LEU 409 CO 0.03 0.06 0.47 1.23 -0.62 0.00 0.00 178.44 179.61 3ie1 h GLY 410 N 0.17 1.11 1.35 3.75 0.00 -0.69 -1.04 103.07 107.71 3ie1 h GLY 410 Ca 0.46 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 3ie1 h GLY 410 CO -0.09 0.44 -0.10 1.70 0.00 0.00 0.00 176.54 178.49 3ie1 h LYS 411 N 1.05 0.78 0.96 4.80 3.64 -0.09 -0.91 116.57 126.80 3ie1 h LYS 411 Ca 0.28 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3ie1 h LYS 411 Cb -0.05 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3ie1 h LYS 411 CO -0.05 0.85 -0.46 -0.07 -2.27 0.00 0.00 179.45 177.45 3ie1 h LEU 412 N 0.70 -1.09 -0.93 5.20 3.38 -1.17 -2.83 115.31 118.57 3ie1 h LEU 412 Ca 0.12 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.26 3ie1 h LEU 412 Cb 0.58 0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.53 3ie1 h LEU 412 CO 0.04 -0.76 0.55 -0.07 0.09 0.00 0.00 178.44 178.29 3ie1 h LEU 413 N -1.34 0.76 -0.91 1.67 3.38 -1.19 -0.81 115.31 116.87 3ie1 h LEU 413 Ca -0.13 0.07 0.25 0.00 0.09 0.00 0.00 57.88 58.16 3ie1 h LEU 413 Cb 0.99 -0.08 -0.14 0.00 0.09 0.00 0.00 40.66 41.52 3ie1 h LEU 413 CO 0.22 0.37 0.33 0.00 0.09 0.00 0.00 178.44 179.44 3ie1 h ALA 414 N 1.54 1.45 0.00 1.53 0.00 -0.93 0.29 119.26 123.15 3ie1 h ALA 414 Ca 0.48 0.21 -0.15 0.00 0.00 0.00 0.00 54.91 55.45 3ie1 h ALA 414 Cb 0.57 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3ie1 h ALA 414 CO -0.30 -0.48 -0.72 -0.07 0.00 0.00 0.00 179.25 177.68 3ie1 h LEU 415 N 0.25 0.00 0.00 0.00 3.38 -0.94 -2.89 115.31 115.11 3ie1 h LEU 415 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 3ie1 h LEU 415 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3ie1 h LEU 415 CO -0.64 0.72 0.00 -1.14 0.09 0.00 0.00 178.44 177.47 3ie1 n ARG 416 N -3.61 0.58 -0.69 1.13 0.63 0.10 -4.80 116.66 110.00 3ie1 n ARG 416 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3ie1 n ARG 416 Cb 0.72 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 32.18 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 0.15 0.78 3.62 5.14 0.00 -1.07 -5.03 105.19 108.79 3ie1 n GLY 417 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.31 4.05 -0.63 1.61 -0.21 -1.05 -5.00 119.66 118.13 3ie1 s GLN 418 Ca 0.00 0.51 -0.26 0.00 0.02 0.00 0.00 55.36 55.63 3ie1 s GLN 418 Cb 0.00 -3.67 -0.05 0.00 1.00 0.00 0.00 33.01 30.29 3ie1 s GLN 418 CO 0.00 -0.47 2.07 -2.00 -2.12 0.00 0.00 175.29 172.77 3ie1 s GLU 419 N 2.57 2.39 0.57 2.91 2.12 0.77 -3.94 118.70 126.09 3ie1 s GLU 419 Ca 0.27 0.72 0.09 0.00 0.36 0.00 0.00 54.97 56.41 3ie1 s GLU 419 Cb -0.15 -4.56 0.09 0.00 0.26 0.00 0.00 34.13 29.77 3ie1 s GLU 419 CO 0.09 -3.09 0.78 1.55 -0.54 0.00 0.00 175.26 174.05 3ie1 n VAL 420 N 7.63 0.00 0.00 3.70 3.14 -1.26 -1.99 118.33 129.55 3ie1 n VAL 420 Ca 0.29 -1.89 0.00 0.00 -2.96 0.00 0.00 64.34 59.79 3ie1 n VAL 420 Cb 0.52 -0.53 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 3ie1 n VAL 420 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3ie1 n SER 421 N -2.35 0.00 -4.72 6.55 3.41 -1.14 -4.91 113.62 110.47 3ie1 n SER 421 Ca 0.16 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.44 3ie1 n SER 421 Cb 0.58 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.45 3ie1 n SER 421 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ie1 s LEU 422 N 0.00 3.66 0.06 1.04 1.43 -1.26 -2.32 118.68 121.29 3ie1 s LEU 422 Ca 0.00 0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 3ie1 s LEU 422 Cb 0.00 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 3ie1 s LEU 422 CO 0.00 0.27 1.03 0.00 0.23 0.00 0.00 176.35 177.88 3ie1 s ALA 423 N -1.14 3.25 -0.27 4.21 0.00 -0.99 -4.93 121.76 121.88 3ie1 s ALA 423 Ca 0.21 0.63 -0.09 0.00 0.00 0.00 0.00 51.96 52.72 3ie1 s ALA 423 Cb -0.12 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 3ie1 s ALA 423 CO 0.12 -0.21 0.12 1.03 0.00 0.00 0.00 175.76 176.82 3ie1 s ARG 424 N 0.59 3.61 0.01 0.00 0.52 -1.26 -3.93 118.95 118.49 3ie1 s ARG 424 Ca 0.52 -0.52 -0.40 0.00 -0.52 0.00 0.00 55.73 54.81 3ie1 s ARG 424 Cb -0.24 -3.46 -0.20 0.00 0.52 0.00 0.00 34.95 31.57 3ie1 s ARG 424 CO 0.29 -0.26 1.08 0.34 0.02 0.00 0.00 175.30 176.78 3ie1 n PHE 425 N 4.97 0.68 0.00 -0.53 7.35 -1.26 -0.90 117.46 127.76 3ie1 n PHE 425 Ca -0.15 1.04 0.00 0.00 -0.76 0.00 0.00 57.45 57.58 3ie1 n PHE 425 Cb 0.51 -2.10 0.00 0.00 0.35 0.00 0.00 39.48 38.24 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 1.56 1.99 3.62 7.13 0.00 -0.35 -4.97 105.19 114.17 3ie1 n GLY 426 Ca 0.20 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3ie1 n GLY 426 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie1 s GLU 427 N 0.00 3.71 0.57 1.61 2.02 -0.08 -4.78 118.70 121.75 3ie1 s GLU 427 Ca 0.00 1.20 -0.16 0.00 0.02 0.00 0.00 54.97 56.04 3ie1 s GLU 427 Cb 0.00 -3.99 -0.05 0.00 0.10 0.00 0.00 34.13 30.19 3ie1 s GLU 427 CO 0.00 -1.39 1.04 0.20 0.02 0.00 0.00 175.26 175.13 3ie1 s GLY 428 N 3.76 2.12 -0.10 -1.39 0.00 -1.26 -4.41 107.32 106.03 3ie1 s GLY 428 Ca 0.63 0.35 0.03 0.00 0.00 0.00 0.00 44.72 45.73 3ie1 s GLY 428 CO 0.29 0.66 -0.20 0.14 0.00 0.00 0.00 173.10 173.99 3ie1 s VAL 429 N -2.49 1.74 0.30 1.40 1.01 -0.29 -4.98 120.40 117.10 3ie1 s VAL 429 Ca 0.63 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 3ie1 s VAL 429 Cb -0.15 -1.53 -0.09 0.00 0.00 0.00 0.00 36.38 34.61 3ie1 s VAL 429 CO 0.35 0.49 0.98 -2.16 0.00 0.00 0.00 175.10 174.77 3ie1 s PRO 430 N 0.55 4.61 0.00 2.72 0.04 -1.26 -1.17 135.00 140.49 3ie1 s PRO 430 Ca -0.15 1.48 0.29 0.00 0.04 0.00 0.00 61.00 62.65 3ie1 s PRO 430 Cb -0.17 -2.96 1.18 0.00 0.04 0.00 0.00 34.50 32.59 3ie1 s PRO 430 CO 0.05 0.27 1.82 0.28 0.04 0.00 0.00 177.00 179.46