#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fly s ARG 5 N 0.00 4.26 0.89 3.49 3.52 -1.26 -5.02 118.95 124.84 3fly s ARG 5 Ca 0.00 1.93 -0.12 0.00 -0.13 0.00 0.00 55.73 57.41 3fly s ARG 5 Cb 0.00 -3.67 0.13 0.00 -1.56 0.00 0.00 34.95 29.84 3fly s ARG 5 CO 0.00 -0.63 1.09 -1.25 -0.81 0.00 0.00 175.30 173.70 3fly s PRO 6 N 2.84 1.28 0.07 5.12 0.04 -1.26 -5.02 135.00 138.07 3fly s PRO 6 Ca 0.63 0.73 -0.28 0.00 0.04 0.00 0.00 61.00 62.12 3fly s PRO 6 Cb -0.30 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 3fly s PRO 6 CO 0.25 -2.20 0.88 0.99 0.04 0.00 0.00 177.00 176.95 3fly s THR 7 N -2.99 4.64 0.05 1.26 2.01 -1.26 -4.98 115.64 114.38 3fly s THR 7 Ca 0.63 1.88 0.01 0.00 0.31 0.00 0.00 61.69 64.52 3fly s THR 7 Cb -0.17 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 3fly s THR 7 CO 0.56 0.32 0.12 -0.36 -0.69 0.00 0.00 174.62 174.57 3fly s PHE 8 N 0.11 3.33 0.09 4.92 0.40 -1.26 -1.19 117.98 124.37 3fly s PHE 8 Ca 0.44 0.17 0.05 0.00 -0.60 0.00 0.00 56.93 57.00 3fly s PHE 8 Cb -0.22 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 3fly s PHE 8 CO 0.27 0.56 -0.14 1.52 0.70 0.00 0.00 175.22 178.12 3fly s TYR 9 N -1.38 1.30 0.02 0.36 -0.85 -0.29 -4.92 117.35 111.61 3fly s TYR 9 Ca 0.29 -0.50 -0.01 0.00 -0.52 0.00 0.00 57.07 56.33 3fly s TYR 9 Cb -0.12 -0.71 -0.04 0.00 0.38 0.00 0.00 41.96 41.46 3fly s TYR 9 CO 0.22 0.09 0.19 1.03 -1.52 0.00 0.00 175.55 175.56 3fly s ARG 10 N -2.11 3.43 -0.28 -3.49 0.52 -1.26 -1.79 118.95 113.97 3fly s ARG 10 Ca 0.02 -0.38 -0.16 0.00 -0.52 0.00 0.00 55.73 54.70 3fly s ARG 10 Cb -0.08 -3.06 0.09 0.00 0.52 0.00 0.00 34.95 32.42 3fly s ARG 10 CO 0.02 0.64 0.73 -1.14 0.02 0.00 0.00 175.30 175.58 3fly s GLN 11 N -2.20 0.65 -0.15 3.54 0.74 0.16 -4.97 119.66 117.42 3fly s GLN 11 Ca 0.31 1.15 -0.21 0.00 0.05 0.00 0.00 55.36 56.66 3fly s GLN 11 Cb -0.13 0.18 -0.03 0.00 1.10 0.00 0.00 33.01 34.13 3fly s GLN 11 CO 0.23 -0.14 0.62 -2.00 -0.55 0.00 0.00 175.29 173.44 3fly s GLU 12 N 1.68 4.29 0.00 1.67 2.12 -1.26 0.77 118.70 127.97 3fly s GLU 12 Ca -0.10 0.64 0.00 0.00 0.36 0.00 0.00 54.97 55.88 3fly s GLU 12 Cb -0.05 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.81 3fly s GLU 12 CO -0.19 -0.10 0.00 1.28 -0.54 0.00 0.00 175.26 175.71 3fly n LEU 13 N 4.52 0.00 -3.45 2.70 4.77 -0.50 -4.91 117.00 120.12 3fly n LEU 13 Ca -0.02 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.56 3fly n LEU 13 Cb 0.50 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 3fly n LEU 13 CO 0.44 0.00 2.74 0.59 -1.33 0.00 0.00 177.39 179.83 3fly n ASN 14 N -0.53 8.02 -1.24 -1.43 3.02 -1.26 -4.54 115.26 117.30 3fly n ASN 14 Ca 0.00 -2.94 -0.14 0.00 -0.03 0.00 0.00 54.58 51.47 3fly n ASN 14 Cb 0.00 -1.44 -0.06 0.00 -0.61 0.00 0.00 39.78 37.66 3fly n ASN 14 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3fly n LYS 15 N 2.61 -1.50 -4.11 3.52 5.02 -1.26 -4.94 118.16 117.49 3fly n LYS 15 Ca 0.67 0.93 -0.14 0.00 -2.02 0.00 0.00 58.31 57.75 3fly n LYS 15 Cb 0.25 -5.24 -0.13 0.00 -0.02 0.00 0.00 35.03 29.89 3fly n LYS 15 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3fly s THR 16 N -2.20 0.48 -0.26 -0.18 2.01 -1.26 -5.12 115.64 109.11 3fly s THR 16 Ca 0.00 -0.67 -0.27 0.00 0.31 0.00 0.00 61.69 61.06 3fly s THR 16 Cb 0.00 -0.49 0.01 0.00 0.01 0.00 0.00 72.50 72.03 3fly s THR 16 CO 0.00 -0.14 0.96 -0.63 -0.69 0.00 0.00 174.62 174.12 3fly s ILE 17 N -0.78 4.70 -0.26 1.82 1.01 -1.26 -1.41 121.20 125.02 3fly s ILE 17 Ca -0.04 1.75 -0.09 0.00 0.00 0.00 0.00 60.65 62.26 3fly s ILE 17 Cb -0.06 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 3fly s ILE 17 CO 0.00 -0.22 0.14 0.26 0.00 0.00 0.00 174.94 175.12 3fly s TRP 18 N 3.17 3.18 -0.32 3.97 0.52 0.23 -4.91 118.94 124.77 3fly s TRP 18 Ca 0.40 -0.07 -0.03 0.00 0.02 0.00 0.00 56.10 56.43 3fly s TRP 18 Cb -0.14 -2.31 0.06 0.00 -1.15 0.00 0.00 33.47 29.92 3fly s TRP 18 CO 0.09 -0.20 0.04 -2.00 0.02 0.00 0.00 176.95 174.90 3fly s GLU 19 N 1.59 2.41 0.09 4.98 2.12 -1.26 -0.67 118.70 127.97 3fly s GLU 19 Ca 0.07 -1.32 0.04 0.00 0.36 0.00 0.00 54.97 54.12 3fly s GLU 19 Cb -0.15 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 3fly s GLU 19 CO 0.07 -0.68 -0.11 0.14 -0.54 0.00 0.00 175.26 174.14 3fly s VAL 20 N 1.27 1.00 0.54 3.70 -7.23 -0.74 -4.65 120.40 114.29 3fly s VAL 20 Ca -0.03 -1.51 -0.21 0.00 -1.81 0.00 0.00 61.98 58.42 3fly s VAL 20 Cb -0.20 -1.24 -0.06 0.00 0.56 0.00 0.00 36.38 35.44 3fly s VAL 20 CO -0.01 -0.44 1.13 -2.65 -0.31 0.00 0.00 175.10 172.82 3fly n PRO 21 N 0.82 1.32 -0.06 4.82 -0.02 -1.26 -1.13 135.00 139.48 3fly n PRO 21 Ca -0.18 0.49 0.22 0.00 -2.02 0.00 0.00 63.50 62.01 3fly n PRO 21 Cb 0.56 -2.30 0.69 0.00 -0.02 0.00 0.00 33.50 32.44 3fly n PRO 21 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3fly h GLU 22 N 1.10 0.02 -0.51 -0.52 5.08 -1.51 -1.97 114.58 116.28 3fly h GLU 22 Ca -0.48 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.02 3fly h GLU 22 Cb 1.33 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 3fly h GLU 22 CO 0.55 0.01 0.38 0.07 -1.00 0.00 0.00 179.01 179.02 3fly h ARG 23 N 0.02 0.00 -5.50 2.33 0.11 -1.90 -3.39 114.38 106.06 3fly h ARG 23 Ca 0.31 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.76 3fly h ARG 23 Cb 1.21 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.16 3fly h ARG 23 CO -0.01 0.00 0.15 0.71 0.10 0.00 0.00 179.97 180.92 3fly s TYR 24 N -4.96 3.17 0.27 4.08 1.51 -0.74 -0.43 117.35 120.24 3fly s TYR 24 Ca -0.05 0.42 0.08 0.00 -1.01 0.00 0.00 57.07 56.51 3fly s TYR 24 Cb 0.19 -3.10 -0.05 0.00 -0.11 0.00 0.00 41.96 38.88 3fly s TYR 24 CO 0.71 -0.59 -0.11 -0.65 -1.11 0.00 0.00 175.55 173.80 3fly s GLN 25 N 2.69 1.54 -1.29 -0.62 -1.52 -0.23 -4.86 119.66 115.39 3fly s GLN 25 Ca 0.25 -1.75 -0.01 0.00 -1.95 0.00 0.00 55.36 51.90 3fly s GLN 25 Cb -0.15 -1.32 -0.00 0.00 -0.22 0.00 0.00 33.01 31.32 3fly s GLN 25 CO 0.14 0.14 0.73 0.09 -0.25 0.00 0.00 175.29 176.14 3fly n ASN 26 N -0.56 -1.42 -4.71 5.90 3.02 -1.26 -0.34 115.26 115.88 3fly n ASN 26 Ca -0.06 -0.80 -0.42 0.00 -0.03 0.00 0.00 54.58 53.27 3fly n ASN 26 Cb 0.62 -4.16 -0.03 0.00 -0.61 0.00 0.00 39.78 35.60 3fly n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fly s LEU 27 N -6.61 4.37 -0.10 3.41 1.02 -1.26 -4.38 118.68 115.13 3fly s LEU 27 Ca 0.02 2.36 -0.04 0.00 0.02 0.00 0.00 54.13 56.49 3fly s LEU 27 Cb -0.01 -3.59 0.05 0.00 0.02 0.00 0.00 46.19 42.67 3fly s LEU 27 CO 0.80 -0.68 0.22 -0.55 0.02 0.00 0.00 176.35 176.16 3fly s SER 28 N 1.16 0.09 0.25 2.29 0.15 0.47 -4.96 113.70 113.14 3fly s SER 28 Ca 0.65 0.47 -0.30 0.00 0.70 0.00 0.00 55.95 57.47 3fly s SER 28 Cb -0.38 0.42 -0.14 0.00 -1.71 0.00 0.00 66.02 64.22 3fly s SER 28 CO 0.30 -0.19 1.30 -2.65 1.20 0.00 0.00 173.24 173.20 3fly n PRO 29 N 4.69 1.84 0.00 5.44 -0.02 -1.26 0.55 135.00 146.24 3fly n PRO 29 Ca -0.17 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3fly n PRO 29 Cb 0.51 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3fly n PRO 29 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3fly n VAL 30 N 1.36 0.23 0.00 -1.45 0.24 -0.33 -4.76 118.33 113.62 3fly n VAL 30 Ca 0.11 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 3fly n VAL 30 Cb 0.31 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 3fly n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fly n GLY 31 N -0.11 0.27 3.76 7.63 0.00 -1.22 -4.98 105.19 110.53 3fly n GLY 31 Ca 0.00 -2.28 -0.40 0.00 0.00 0.00 0.00 46.02 43.34 3fly n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fly s SER 32 N -4.00 7.37 0.33 1.61 0.01 -1.26 -1.22 113.70 116.53 3fly s SER 32 Ca 0.00 1.62 0.01 0.00 1.31 0.00 0.00 55.95 58.89 3fly s SER 32 Cb 0.00 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.73 3fly s SER 32 CO 0.00 0.12 0.07 0.61 0.41 0.00 0.00 173.24 174.45 3fly n GLY 33 N 1.89 3.54 3.62 3.44 0.00 0.12 -4.86 105.19 112.93 3fly n GLY 33 Ca -0.04 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.26 3fly n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fly s ALA 34 N -2.55 3.12 -1.13 4.61 0.00 -1.26 -3.28 121.76 121.26 3fly s ALA 34 Ca 0.05 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.53 3fly s ALA 34 Cb -0.00 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.19 3fly s ALA 34 CO 0.03 -2.22 0.00 0.66 0.00 0.00 0.00 175.76 174.24 3fly n TYR 35 N 9.30 -0.04 0.00 0.00 4.01 -1.26 -4.93 117.16 124.24 3fly n TYR 35 Ca 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 3fly n TYR 35 Cb 0.45 -2.09 0.00 0.00 -0.31 0.00 0.00 39.34 37.40 3fly n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fly n GLY 36 N -1.60 0.56 3.86 2.72 0.00 -1.21 -2.74 105.19 106.78 3fly n GLY 36 Ca -0.11 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 3fly n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fly s SER 37 N 0.00 6.68 -0.10 1.61 1.04 -1.20 -0.70 113.70 121.03 3fly s SER 37 Ca 0.00 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.34 3fly s SER 37 Cb 0.00 -2.22 -0.02 0.00 0.10 0.00 0.00 66.02 63.88 3fly s SER 37 CO 0.00 0.06 -0.11 -0.69 0.98 0.00 0.00 173.24 173.48 3fly s VAL 38 N -1.58 3.29 -0.04 5.02 1.01 -0.36 -2.32 120.40 125.42 3fly s VAL 38 Ca 0.40 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.84 3fly s VAL 38 Cb -0.13 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 3fly s VAL 38 CO 0.20 0.55 -0.21 0.00 0.00 0.00 0.00 175.10 175.63 3fly s ALA 40 N -0.53 3.17 0.21 0.00 0.00 0.19 0.55 121.76 125.36 3fly s ALA 40 Ca 0.07 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 3fly s ALA 40 Cb -0.11 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.88 3fly s ALA 40 CO 0.01 0.17 0.53 0.00 0.00 0.00 0.00 175.76 176.47 3fly s ALA 41 N -1.79 -0.84 -0.26 0.00 0.00 0.12 -0.40 121.76 118.60 3fly s ALA 41 Ca 0.53 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 52.07 3fly s ALA 41 Cb -0.16 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 3fly s ALA 41 CO 0.20 -0.84 0.09 0.12 0.00 0.00 0.00 175.76 175.33 3fly s PHE 42 N -3.90 3.10 -0.59 0.00 5.36 0.54 -0.81 117.98 121.68 3fly s PHE 42 Ca 0.12 -0.41 -0.24 0.00 -0.96 0.00 0.00 56.93 55.44 3fly s PHE 42 Cb -0.01 -2.26 0.05 0.00 -0.34 0.00 0.00 43.02 40.46 3fly s PHE 42 CO 0.00 -0.36 0.97 0.34 -1.46 0.00 0.00 175.22 174.71 3fly s ASP 43 N 1.62 6.28 0.55 6.13 2.15 -0.38 -1.06 116.67 131.97 3fly s ASP 43 Ca 0.06 -0.53 0.33 0.00 0.43 0.00 0.00 52.55 52.84 3fly s ASP 43 Cb -0.15 -2.44 1.57 0.00 -0.30 0.00 0.00 42.92 41.60 3fly s ASP 43 CO 0.04 -1.32 2.08 0.71 -0.17 0.00 0.00 175.17 176.51 3fly h THR 44 N 6.01 0.28 0.00 1.71 1.35 -1.05 0.19 112.91 121.40 3fly h THR 44 Ca -0.27 -0.48 -0.18 0.00 -0.55 0.00 0.00 66.41 64.92 3fly h THR 44 Cb 1.07 1.37 -0.02 0.00 -1.73 0.00 0.00 68.15 68.84 3fly h THR 44 CO 1.12 0.07 -0.85 0.11 -0.25 0.00 0.00 175.52 175.72 3fly h LYS 45 N 0.00 0.07 0.00 4.72 1.79 -1.91 -3.36 116.57 117.88 3fly h LYS 45 Ca -0.00 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3fly h LYS 45 Cb 0.37 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 3fly h LYS 45 CO 0.01 0.88 -0.92 0.25 -1.08 0.00 0.00 179.45 178.58 3fly n THR 46 N -3.58 0.00 -1.10 -0.16 -2.24 -1.10 -5.00 114.28 101.09 3fly n THR 46 Ca -0.02 -0.22 -0.03 0.00 -2.27 0.00 0.00 64.05 61.51 3fly n THR 46 Cb 0.80 0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 69.61 3fly n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fly n GLY 47 N 1.77 0.63 3.86 3.38 0.00 0.66 -5.02 105.19 110.48 3fly n GLY 47 Ca -0.00 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 3fly n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fly s LEU 48 N -0.77 4.40 -0.05 0.99 1.43 -1.20 -4.91 118.68 118.56 3fly s LEU 48 Ca 0.00 0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 53.53 3fly s LEU 48 Cb 0.00 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 3fly s LEU 48 CO 0.00 0.28 1.09 -0.13 0.23 0.00 0.00 176.35 177.81 3fly s ARG 49 N -1.48 4.42 0.15 1.70 0.52 -1.26 -1.25 118.95 121.76 3fly s ARG 49 Ca 0.26 1.53 0.08 0.00 -0.52 0.00 0.00 55.73 57.08 3fly s ARG 49 Cb -0.14 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 3fly s ARG 49 CO 0.14 -0.31 -0.18 0.14 0.02 0.00 0.00 175.30 175.11 3fly s VAL 50 N 1.81 1.75 -0.23 3.52 -7.23 0.01 -1.30 120.40 118.73 3fly s VAL 50 Ca 0.53 -1.85 -0.08 0.00 -1.81 0.00 0.00 61.98 58.76 3fly s VAL 50 Cb -0.22 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 3fly s VAL 50 CO 0.22 -0.30 0.10 0.00 -0.31 0.00 0.00 175.10 174.81 3fly s ALA 51 N -1.97 3.33 -0.25 1.32 0.00 0.17 -0.70 121.76 123.67 3fly s ALA 51 Ca 0.14 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 3fly s ALA 51 Cb -0.06 -2.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 3fly s ALA 51 CO 0.06 -0.28 0.02 0.08 0.00 0.00 0.00 175.76 175.64 3fly s VAL 52 N 1.23 3.82 -0.26 0.00 1.01 0.19 -1.05 120.40 125.34 3fly s VAL 52 Ca 0.05 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 3fly s VAL 52 Cb -0.14 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 3fly s VAL 52 CO 0.04 0.31 0.07 -0.75 0.00 0.00 0.00 175.10 174.77 3fly s LYS 53 N 1.53 3.56 -0.29 2.72 2.20 0.12 -0.16 119.74 129.43 3fly s LYS 53 Ca 0.05 -0.54 -0.17 0.00 -0.36 0.00 0.00 55.97 54.95 3fly s LYS 53 Cb -0.15 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 3fly s LYS 53 CO 0.00 -0.23 0.49 0.21 -0.36 0.00 0.00 175.35 175.46 3fly s LYS 54 N 1.60 3.94 0.24 4.03 2.20 -0.98 -0.34 119.74 130.43 3fly s LYS 54 Ca 0.06 0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.51 3fly s LYS 54 Cb -0.15 -3.70 -0.09 0.00 -1.51 0.00 0.00 37.83 32.38 3fly s LYS 54 CO 0.03 -0.42 1.29 -0.51 -0.36 0.00 0.00 175.35 175.39 3fly s LEU 55 N 2.29 4.43 -0.14 5.43 1.43 -0.85 -3.21 118.68 128.07 3fly s LEU 55 Ca 0.19 2.47 -0.21 0.00 -1.03 0.00 0.00 54.13 55.55 3fly s LEU 55 Cb -0.16 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 3fly s LEU 55 CO 0.10 -0.49 0.63 -0.94 0.23 0.00 0.00 176.35 175.88 3fly s SER 56 N -0.00 6.79 -0.56 2.29 1.04 -1.11 -4.44 113.70 117.70 3fly s SER 56 Ca 0.53 0.95 -0.01 0.00 0.48 0.00 0.00 55.95 57.91 3fly s SER 56 Cb -0.37 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3fly s SER 56 CO 0.42 -0.17 0.40 0.54 0.98 0.00 0.00 173.24 175.42 3fly n ARG 57 N 4.38 -1.02 0.28 4.02 3.00 -1.26 -4.83 116.66 121.22 3fly n ARG 57 Ca -0.02 0.48 0.16 0.00 -0.01 0.00 0.00 57.85 58.45 3fly n ARG 57 Cb 0.51 -1.48 0.79 0.00 0.00 0.00 0.00 32.46 32.28 3fly n ARG 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3fly h PRO 58 N 0.10 0.00 -0.28 5.56 0.13 -1.82 -3.23 132.00 132.45 3fly h PRO 58 Ca -0.44 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.46 3fly h PRO 58 Cb 0.95 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.81 3fly h PRO 58 CO 0.25 0.07 -0.80 1.19 -0.23 0.00 0.00 178.00 178.49 3fly n PHE 59 N -3.36 0.99 0.22 1.56 3.01 -1.26 -2.50 117.46 116.12 3fly n PHE 59 Ca -0.01 -1.61 0.11 0.00 1.01 0.00 0.00 57.45 56.95 3fly n PHE 59 Cb 0.24 -0.25 0.20 0.00 -0.01 0.00 0.00 39.48 39.66 3fly n PHE 59 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 3fly h GLN 60 N 1.60 0.00 -3.76 -1.08 3.07 -1.91 -3.46 115.11 109.57 3fly h GLN 60 Ca 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.70 3fly h GLN 60 Cb 1.38 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 28.83 3fly h GLN 60 CO 0.27 0.05 -0.19 -1.54 0.09 0.00 0.00 178.83 177.51 3fly s SER 61 N -6.19 -0.06 0.18 0.06 1.04 -1.26 -5.01 113.70 102.46 3fly s SER 61 Ca 0.06 -0.94 -0.13 0.00 0.48 0.00 0.00 55.95 55.43 3fly s SER 61 Cb 0.06 0.54 0.11 0.00 0.10 0.00 0.00 66.02 66.83 3fly s SER 61 CO 0.67 -1.07 1.84 0.40 0.98 0.00 0.00 173.24 176.05 3fly h ILE 62 N 2.33 1.11 -0.37 -1.02 2.04 -1.94 0.24 117.51 119.89 3fly h ILE 62 Ca -0.28 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.35 3fly h ILE 62 Cb 1.25 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3fly h ILE 62 CO 0.39 0.13 0.20 0.40 0.00 0.00 0.00 178.15 179.28 3fly h ILE 63 N 0.74 1.02 -0.25 -0.67 1.08 -1.97 -0.00 117.51 117.45 3fly h ILE 63 Ca 0.22 -0.14 -0.04 0.00 -0.39 0.00 0.00 64.86 64.52 3fly h ILE 63 Cb -0.03 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 3fly h ILE 63 CO -0.07 0.08 0.02 0.45 -0.69 0.00 0.00 178.15 177.93 3fly h HIS 64 N 0.41 0.47 -0.57 1.37 3.86 -1.77 -1.51 115.15 117.41 3fly h HIS 64 Ca 0.15 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3fly h HIS 64 Cb 0.03 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 3fly h HIS 64 CO -0.08 0.57 0.37 0.00 0.86 0.00 0.00 177.93 179.65 3fly h ALA 65 N 0.83 0.73 -0.47 2.45 0.00 -0.22 -0.30 119.26 122.29 3fly h ALA 65 Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3fly h ALA 65 Cb 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3fly h ALA 65 CO 0.01 0.14 -0.14 -0.22 0.00 0.00 0.00 179.25 179.04 3fly h LYS 66 N 0.76 0.89 -0.37 0.00 3.64 -0.97 -1.93 116.57 118.59 3fly h LYS 66 Ca 0.21 -0.33 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 3fly h LYS 66 Cb -0.07 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3fly h LYS 66 CO -0.06 0.97 -0.15 -0.09 -2.27 0.00 0.00 179.45 177.85 3fly h ARG 67 N 0.79 0.67 -0.05 1.90 2.43 -0.95 0.17 114.38 119.33 3fly h ARG 67 Ca 0.12 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3fly h ARG 67 Cb 0.67 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3fly h ARG 67 CO 0.05 0.79 0.01 1.15 -1.51 0.00 0.00 179.97 180.46 3fly h THR 68 N 0.60 1.19 -0.56 0.20 2.02 -0.88 -1.18 112.91 114.30 3fly h THR 68 Ca 0.10 -0.58 0.04 0.00 0.77 0.00 0.00 66.41 66.74 3fly h THR 68 Cb 0.60 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 3fly h THR 68 CO 0.04 0.16 0.32 0.22 0.37 0.00 0.00 175.52 176.63 3fly h TYR 69 N -0.14 0.59 -0.07 3.16 3.20 -1.15 -1.99 116.97 120.57 3fly h TYR 69 Ca 0.02 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.92 3fly h TYR 69 Cb 0.24 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 3fly h TYR 69 CO 0.01 0.31 -0.03 -0.09 -1.64 0.00 0.00 178.16 176.72 3fly h ARG 70 N 0.62 -0.03 -0.66 1.82 2.43 -0.52 -0.50 114.38 117.54 3fly h ARG 70 Ca 0.24 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3fly h ARG 70 Cb 0.08 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3fly h ARG 70 CO -0.13 -0.02 0.35 1.49 -1.51 0.00 0.00 179.97 180.16 3fly h GLU 71 N -0.03 0.92 -0.38 0.20 4.81 -1.06 -0.87 114.58 118.17 3fly h GLU 71 Ca 0.04 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3fly h GLU 71 Cb 0.09 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3fly h GLU 71 CO -0.09 0.70 0.12 1.25 -0.73 0.00 0.00 179.01 180.26 3fly h LEU 72 N 0.90 0.55 -0.42 1.64 5.85 -1.16 -1.35 115.31 121.32 3fly h LEU 72 Ca 0.23 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3fly h LEU 72 Cb 0.05 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3fly h LEU 72 CO -0.04 0.61 0.23 0.03 -0.34 0.00 0.00 178.44 178.93 3fly h ARG 73 N 0.46 0.45 0.12 1.25 2.47 -0.87 -0.18 114.38 118.09 3fly h ARG 73 Ca 0.12 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 3fly h ARG 73 Cb 0.25 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.47 3fly h ARG 73 CO -0.00 0.30 -0.07 -0.07 0.56 0.00 0.00 179.97 180.69 3fly h LEU 74 N 0.47 -0.17 -0.79 3.04 3.38 -1.04 -2.27 115.31 117.93 3fly h LEU 74 Ca 0.17 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 3fly h LEU 74 Cb 0.04 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3fly h LEU 74 CO -0.10 -0.12 0.01 -0.07 0.09 0.00 0.00 178.44 178.26 3fly h LEU 75 N -0.18 0.90 -1.62 1.67 3.38 -1.13 -2.37 115.31 115.95 3fly h LEU 75 Ca -0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3fly h LEU 75 Cb 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3fly h LEU 75 CO 0.02 0.95 -0.12 0.11 0.09 0.00 0.00 178.44 179.49 3fly h LYS 76 N 0.86 0.10 0.05 1.13 1.57 -0.97 -3.17 116.57 116.14 3fly h LYS 76 Ca 0.16 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.70 3fly h LYS 76 Cb 0.49 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3fly h LYS 76 CO 0.02 0.22 -1.05 1.25 -0.57 0.00 0.00 179.45 179.33 3fly h HIS 77 N 0.09 0.23 -3.30 -1.35 2.76 -0.89 -3.46 115.15 109.24 3fly h HIS 77 Ca 0.02 -0.16 -0.57 0.00 -2.20 0.00 0.00 60.37 57.46 3fly h HIS 77 Cb 0.27 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.16 3fly h HIS 77 CO 0.00 1.08 0.97 -1.64 -1.30 0.00 0.00 177.93 177.04 3fly s MET 78 N -2.81 3.82 -0.53 5.26 -1.94 -1.06 -4.93 119.30 117.10 3fly s MET 78 Ca -0.02 1.03 0.05 0.00 -1.71 0.00 0.00 55.69 55.04 3fly s MET 78 Cb 0.09 -3.90 0.19 0.00 2.01 0.00 0.00 34.83 33.23 3fly s MET 78 CO 0.84 -1.24 0.47 1.63 -0.01 0.00 0.00 175.02 176.71 3fly n LYS 79 N 7.52 1.10 -3.75 2.03 5.02 -1.26 -4.49 118.16 124.34 3fly n LYS 79 Ca 0.14 -3.80 -0.13 0.00 -2.02 0.00 0.00 58.31 52.50 3fly n LYS 79 Cb 0.47 -1.87 -0.10 0.00 -0.02 0.00 0.00 35.03 33.51 3fly n LYS 79 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3fly s HIS 80 N -0.96 -0.36 0.45 2.13 2.46 -1.26 -5.06 115.29 112.69 3fly s HIS 80 Ca 0.32 0.85 0.16 0.00 0.47 0.00 0.00 55.06 56.86 3fly s HIS 80 Cb 0.05 0.13 1.10 0.00 -0.13 0.00 0.00 32.58 33.73 3fly s HIS 80 CO -0.15 -0.23 1.97 0.93 -2.47 0.00 0.00 174.74 174.78 3fly h GLU 81 N 5.23 0.33 -0.51 2.88 5.08 -1.98 -2.31 114.58 123.30 3fly h GLU 81 Ca -0.27 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3fly h GLU 81 Cb 1.18 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3fly h GLU 81 CO 0.30 0.22 0.00 0.09 -1.00 0.00 0.00 179.01 178.62 3fly n ASN 82 N -4.46 4.48 -4.06 1.42 4.13 -1.26 -4.69 115.26 110.82 3fly n ASN 82 Ca 0.11 -2.59 -0.22 0.00 1.68 0.00 0.00 54.58 53.56 3fly n ASN 82 Cb 0.45 -0.54 -0.15 0.00 -1.54 0.00 0.00 39.78 37.99 3fly n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3fly s VAL 83 N -2.09 0.98 0.22 2.41 1.01 -0.87 -0.73 120.40 121.33 3fly s VAL 83 Ca 0.46 -0.50 -0.32 0.00 0.00 0.00 0.00 61.98 61.62 3fly s VAL 83 Cb 0.32 -0.84 -0.13 0.00 0.00 0.00 0.00 36.38 35.72 3fly s VAL 83 CO 0.19 0.29 1.47 0.00 0.00 0.00 0.00 175.10 177.04 3fly n ILE 84 N 3.02 0.70 -4.50 2.22 3.06 -0.36 -4.54 119.36 118.96 3fly n ILE 84 Ca -0.16 -0.18 -0.24 0.00 -2.50 0.00 0.00 62.75 59.67 3fly n ILE 84 Cb 0.55 -1.53 -0.10 0.00 0.54 0.00 0.00 39.64 39.09 3fly n ILE 84 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 3fly s GLY 85 N 0.47 2.07 -0.33 4.50 0.00 -1.26 -4.80 107.32 107.97 3fly s GLY 85 Ca 0.71 -2.04 -0.17 0.00 0.00 0.00 0.00 44.72 43.22 3fly s GLY 85 CO 0.46 -1.95 0.46 -2.27 0.00 0.00 0.00 173.10 169.80 3fly s LEU 86 N -3.55 4.31 0.05 0.66 2.96 -1.23 -4.56 118.68 117.33 3fly s LEU 86 Ca 0.32 0.00 -0.05 0.00 -0.22 0.00 0.00 54.13 54.18 3fly s LEU 86 Cb 0.04 -2.51 -0.29 0.00 0.50 0.00 0.00 46.19 43.93 3fly s LEU 86 CO 0.15 -0.39 1.05 -0.07 -1.32 0.00 0.00 176.35 175.77 3fly h LEU 87 N 8.92 0.45 -7.00 -0.68 3.38 -1.18 -3.42 115.31 115.77 3fly h LEU 87 Ca -0.29 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.15 3fly h LEU 87 Cb 1.14 -0.15 -0.18 0.00 0.09 0.00 0.00 40.66 41.56 3fly h LEU 87 CO 0.73 1.41 0.27 -0.62 0.09 0.00 0.00 178.44 180.32 3fly s ASP 88 N -7.14 -0.58 -0.02 -0.43 3.68 -1.12 -4.57 116.67 106.50 3fly s ASP 88 Ca -0.06 0.45 -0.01 0.00 2.13 0.00 0.00 52.55 55.07 3fly s ASP 88 Cb 0.07 0.51 0.02 0.00 -1.45 0.00 0.00 42.92 42.07 3fly s ASP 88 CO 0.88 -0.66 0.04 0.54 0.13 0.00 0.00 175.17 176.10 3fly s VAL 89 N -1.92 -0.03 0.13 1.11 0.11 -1.26 -0.61 120.40 117.93 3fly s VAL 89 Ca -0.06 0.12 -0.08 0.00 -2.93 0.00 0.00 61.98 59.03 3fly s VAL 89 Cb -0.00 -0.08 -0.01 0.00 -1.53 0.00 0.00 36.38 34.76 3fly s VAL 89 CO 0.02 0.05 0.22 0.72 -3.33 0.00 0.00 175.10 172.78 3fly s PHE 90 N 0.62 0.33 0.00 1.54 -0.12 -0.74 -4.97 117.98 114.64 3fly s PHE 90 Ca -0.05 -0.73 0.00 0.00 -0.05 0.00 0.00 56.93 56.10 3fly s PHE 90 Cb -0.07 -0.10 -0.00 0.00 -0.63 0.00 0.00 43.02 42.22 3fly s PHE 90 CO -0.02 -0.62 -0.00 -0.08 -0.05 0.00 0.00 175.22 174.45 3fly s THR 91 N -3.93 0.01 -0.29 -4.49 -1.32 -1.26 -1.55 115.64 102.82 3fly s THR 91 Ca 0.12 -0.06 0.27 0.00 -1.21 0.00 0.00 61.69 60.81 3fly s THR 91 Cb 0.04 -0.03 0.29 0.00 -1.51 0.00 0.00 72.50 71.30 3fly s THR 91 CO -0.05 -0.03 1.80 1.55 -2.21 0.00 0.00 174.62 175.68 3fly h PRO 92 N 6.05 0.00 -6.78 7.08 0.13 -1.82 -3.45 132.00 133.20 3fly h PRO 92 Ca -0.25 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.32 3fly h PRO 92 Cb 1.21 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.45 3fly h PRO 92 CO 0.50 0.00 0.57 0.00 -0.23 0.00 0.00 178.00 178.85 3fly n ALA 93 N -1.87 1.55 0.91 -0.56 0.00 -1.26 -4.93 120.51 114.35 3fly n ALA 93 Ca 0.01 0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.92 3fly n ALA 93 Cb 0.24 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.36 3fly n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fly n ARG 94 N 0.61 0.06 -3.84 0.00 1.74 -1.26 -4.98 116.66 108.98 3fly n ARG 94 Ca 0.04 -0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 57.02 3fly n ARG 94 Cb 0.36 -1.51 -0.05 0.00 -1.02 0.00 0.00 32.46 30.25 3fly n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3fly s SER 95 N -3.15 -0.16 0.36 0.55 1.04 -1.26 -5.04 113.70 106.04 3fly s SER 95 Ca 0.07 -0.65 0.06 0.00 0.48 0.00 0.00 55.95 55.91 3fly s SER 95 Cb 0.16 0.55 0.74 0.00 0.10 0.00 0.00 66.02 67.57 3fly s SER 95 CO 0.83 -1.04 1.95 0.25 0.98 0.00 0.00 173.24 176.21 3fly h LEU 96 N 2.28 0.67 -0.92 2.42 5.85 -1.96 -2.42 115.31 121.24 3fly h LEU 96 Ca -0.28 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.45 3fly h LEU 96 Cb 1.25 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 3fly h LEU 96 CO 0.39 0.43 0.61 -0.33 -0.34 0.00 0.00 178.44 179.20 3fly h GLU 97 N 0.76 1.21 -0.57 1.25 3.07 -2.02 -2.54 114.58 115.74 3fly h GLU 97 Ca 0.33 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 3fly h GLU 97 Cb 0.30 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3fly h GLU 97 CO -0.11 0.80 0.00 -0.85 -1.40 0.00 0.00 179.01 177.44 3fly n GLU 98 N -4.45 2.46 -2.33 2.33 0.28 -1.07 -4.94 120.64 112.92 3fly n GLU 98 Ca 0.10 -2.26 -0.43 0.00 -0.16 0.00 0.00 57.16 54.42 3fly n GLU 98 Cb 0.01 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.36 3fly n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3fly s PHE 99 N -1.24 2.55 0.00 -1.84 5.36 -0.93 -4.66 117.98 117.21 3fly s PHE 99 Ca 0.42 0.79 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 3fly s PHE 99 Cb 0.22 -3.85 0.00 0.00 -0.34 0.00 0.00 43.02 39.05 3fly s PHE 99 CO 0.30 -2.08 0.00 0.09 -1.46 0.00 0.00 175.22 172.07 3fly n ASN 100 N 7.61 1.09 -4.32 6.13 3.02 -1.26 -5.04 115.26 122.50 3fly n ASN 100 Ca 0.16 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.42 3fly n ASN 100 Cb 0.46 0.11 -0.15 0.00 -0.61 0.00 0.00 39.78 39.59 3fly n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3fly s ASP 101 N -1.44 2.96 -0.10 6.41 -0.00 -1.26 -4.64 116.67 118.60 3fly s ASP 101 Ca 0.00 -0.57 0.02 0.00 -0.00 0.00 0.00 52.55 52.00 3fly s ASP 101 Cb 0.00 -0.27 0.01 0.00 -0.00 0.00 0.00 42.92 42.67 3fly s ASP 101 CO 0.00 0.23 -0.15 -0.69 -0.00 0.00 0.00 175.17 174.57 3fly s VAL 102 N -0.79 1.43 -0.11 -1.27 1.01 -1.26 -4.51 120.40 114.89 3fly s VAL 102 Ca 0.10 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3fly s VAL 102 Cb -0.10 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 3fly s VAL 102 CO 0.02 0.42 -0.17 -0.31 0.00 0.00 0.00 175.10 175.07 3fly s TYR 103 N 0.90 2.71 -0.08 5.22 1.51 -0.60 -2.00 117.35 125.01 3fly s TYR 103 Ca -0.09 -0.69 0.02 0.00 -1.01 0.00 0.00 57.07 55.30 3fly s TYR 103 Cb -0.15 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 3fly s TYR 103 CO 0.00 -0.22 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.56 3fly s LEU 104 N 0.19 2.65 -0.10 -1.29 1.43 0.54 -1.79 118.68 120.31 3fly s LEU 104 Ca -0.10 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 3fly s LEU 104 Cb -0.16 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.52 3fly s LEU 104 CO 0.06 0.26 -0.20 -0.69 0.23 0.00 0.00 176.35 176.01 3fly s VAL 105 N -0.24 1.81 0.28 -1.59 1.01 0.22 0.14 120.40 122.04 3fly s VAL 105 Ca 0.01 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3fly s VAL 105 Cb -0.13 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3fly s VAL 105 CO 0.03 0.50 0.22 0.28 0.00 0.00 0.00 175.10 176.13 3fly s THR 106 N 0.58 0.00 0.34 3.92 -1.32 -0.22 -0.53 115.64 118.42 3fly s THR 106 Ca -0.14 -1.99 -0.29 0.00 -1.21 0.00 0.00 61.69 58.06 3fly s THR 106 Cb -0.17 -2.50 -0.11 0.00 -1.51 0.00 0.00 72.50 68.21 3fly s THR 106 CO 0.04 0.00 1.55 1.41 -2.21 0.00 0.00 174.62 175.41 3fly n HIS 107 N -0.48 2.98 -2.52 9.09 8.25 -1.26 0.46 115.22 131.75 3fly n HIS 107 Ca 0.05 0.36 -0.42 0.00 -0.26 0.00 0.00 57.72 57.44 3fly n HIS 107 Cb 0.64 -2.57 -0.03 0.00 1.12 0.00 0.00 29.99 29.15 3fly n HIS 107 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3fly s LEU 108 N -1.43 4.25 0.18 2.41 2.96 -0.42 -4.21 118.68 122.43 3fly s LEU 108 Ca 0.58 1.72 -0.01 0.00 -0.22 0.00 0.00 54.13 56.19 3fly s LEU 108 Cb -0.48 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.61 3fly s LEU 108 CO 0.57 -0.58 0.38 -0.04 -1.32 0.00 0.00 176.35 175.36 3fly s MET 109 N 2.36 3.53 -0.07 1.98 -1.94 -1.26 -4.88 119.30 119.01 3fly s MET 109 Ca 0.53 -0.30 -0.25 0.00 -1.71 0.00 0.00 55.69 53.96 3fly s MET 109 Cb -0.22 -2.85 -0.20 0.00 2.01 0.00 0.00 34.83 33.56 3fly s MET 109 CO 0.19 0.43 0.96 0.78 -0.01 0.00 0.00 175.02 177.37 3fly h GLY 110 N 2.23 -0.06 -3.42 -0.03 0.00 -1.96 -3.48 103.07 96.35 3fly h GLY 110 Ca -0.47 0.02 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 3fly h GLY 110 CO 0.69 -0.02 -0.14 0.00 0.00 0.00 0.00 176.54 177.07 3fly s ALA 111 N -3.36 -0.84 0.64 3.60 0.00 -1.13 -5.03 121.76 115.63 3fly s ALA 111 Ca -0.16 0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.83 3fly s ALA 111 Cb -0.00 0.50 0.08 0.00 0.00 0.00 0.00 23.12 23.70 3fly s ALA 111 CO 0.61 -0.53 0.88 0.16 0.00 0.00 0.00 175.76 176.88 3fly s ASP 112 N -2.43 4.81 0.51 0.00 3.84 -1.26 -0.35 116.67 121.79 3fly s ASP 112 Ca -0.01 -0.23 0.28 0.00 -0.00 0.00 0.00 52.55 52.60 3fly s ASP 112 Cb 0.01 -0.39 1.34 0.00 -1.38 0.00 0.00 42.92 42.49 3fly s ASP 112 CO -0.07 -1.51 2.00 0.25 -0.00 0.00 0.00 175.17 175.84 3fly h LEU 113 N -0.22 0.00 -0.85 2.11 5.85 -0.13 -2.37 115.31 119.70 3fly h LEU 113 Ca -0.39 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 3fly h LEU 113 Cb 1.28 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 3fly h LEU 113 CO 0.46 0.13 0.47 0.78 -0.34 0.00 0.00 178.44 179.94 3fly h ASN 114 N 0.00 1.06 0.46 1.25 -0.26 -1.86 -1.47 115.58 114.76 3fly h ASN 114 Ca -0.00 -0.10 -0.04 0.00 -0.56 0.00 0.00 56.30 55.61 3fly h ASN 114 Cb 0.47 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 3fly h ASN 114 CO 0.02 0.85 -0.17 0.78 -1.06 0.00 0.00 177.43 177.85 3fly h ASN 115 N 1.19 0.00 0.10 5.81 -0.26 -1.80 -2.63 115.58 117.98 3fly h ASN 115 Ca 0.30 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.79 3fly h ASN 115 Cb 0.02 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 3fly h ASN 115 CO -0.05 0.17 -1.31 0.40 -1.06 0.00 0.00 177.43 175.58 3fly h ILE 116 N 0.00 1.06 -0.09 2.81 2.04 -1.48 -3.37 117.51 118.48 3fly h ILE 116 Ca -0.00 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.49 3fly h ILE 116 Cb 0.44 2.70 -0.00 0.00 -0.74 0.00 0.00 36.82 39.22 3fly h ILE 116 CO 0.02 0.66 0.06 0.58 0.00 0.00 0.00 178.15 179.47 3fly h VAL 117 N -0.42 1.03 -6.97 1.67 2.07 -1.27 -3.47 116.25 108.89 3fly h VAL 117 Ca -0.29 -0.06 -0.37 0.00 0.82 0.00 0.00 66.70 66.80 3fly h VAL 117 Cb 1.66 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 3fly h VAL 117 CO 0.03 0.03 -0.64 2.29 0.02 0.00 0.00 177.57 179.29 3fly n LYS 118 N -5.02 -0.60 -0.80 1.57 2.85 -0.99 -0.34 118.16 114.83 3fly n LYS 118 Ca -0.05 -0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 3fly n LYS 118 Cb 0.03 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 3fly n LYS 118 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3fly s GLN 120 N -1.59 1.35 0.26 0.00 -2.07 0.54 -4.84 119.66 113.32 3fly s GLN 120 Ca 0.00 -1.36 -0.30 0.00 -1.82 0.00 0.00 55.36 51.89 3fly s GLN 120 Cb 0.00 -1.70 -0.10 0.00 -1.09 0.00 0.00 33.01 30.13 3fly s GLN 120 CO 0.00 0.39 1.35 0.15 -1.32 0.00 0.00 175.29 175.86 3fly s LYS 121 N -2.26 4.34 0.22 9.60 1.02 -1.26 -4.12 119.74 127.27 3fly s LYS 121 Ca 0.14 2.19 -0.03 0.00 0.02 0.00 0.00 55.97 58.30 3fly s LYS 121 Cb -0.09 -3.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 3fly s LYS 121 CO 0.07 -0.28 0.44 -0.51 -0.92 0.00 0.00 175.35 174.14 3fly s LEU 122 N -0.77 4.19 0.57 3.17 1.02 -0.75 -4.98 118.68 121.13 3fly s LEU 122 Ca 0.55 0.53 -0.19 0.00 0.02 0.00 0.00 54.13 55.04 3fly s LEU 122 Cb -0.39 -3.30 -0.05 0.00 0.02 0.00 0.00 46.19 42.47 3fly s LEU 122 CO 0.45 -0.07 1.15 0.42 0.02 0.00 0.00 176.35 178.31 3fly s THR 123 N -1.89 3.03 0.34 5.49 -4.23 -1.26 -4.77 115.64 112.35 3fly s THR 123 Ca 0.41 0.63 0.05 0.00 -1.18 0.00 0.00 61.69 61.59 3fly s THR 123 Cb -0.11 -3.23 0.30 0.00 1.34 0.00 0.00 72.50 70.79 3fly s THR 123 CO 0.28 -0.16 1.91 -0.78 -0.54 0.00 0.00 174.62 175.34 3fly h ASP 124 N 1.00 0.74 -0.17 3.99 3.58 -1.98 -1.30 116.42 122.29 3fly h ASP 124 Ca -0.50 0.02 -0.09 0.00 0.42 0.00 0.00 57.03 56.88 3fly h ASP 124 Cb 1.27 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 3fly h ASP 124 CO 0.56 0.45 -0.19 0.44 -2.88 0.00 0.00 179.24 177.62 3fly h ASP 125 N 0.83 0.59 -0.35 2.28 5.19 -1.99 0.31 116.42 123.28 3fly h ASP 125 Ca 0.39 -0.19 -0.10 0.00 -0.62 0.00 0.00 57.03 56.51 3fly h ASP 125 Cb 0.39 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 3fly h ASP 125 CO -0.15 0.79 -0.18 0.45 -3.12 0.00 0.00 179.24 177.02 3fly h HIS 126 N 0.54 0.85 -0.27 4.55 3.86 -1.65 -2.65 115.15 120.38 3fly h HIS 126 Ca 0.09 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 3fly h HIS 126 Cb 0.62 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 3fly h HIS 126 CO 0.02 0.94 0.14 0.28 0.86 0.00 0.00 177.93 180.18 3fly h VAL 127 N 0.52 1.13 -0.49 2.45 2.07 -1.06 -1.30 116.25 119.56 3fly h VAL 127 Ca 0.08 -0.35 0.10 0.00 0.82 0.00 0.00 66.70 67.34 3fly h VAL 127 Cb 0.72 0.87 -0.10 0.00 -1.52 0.00 0.00 31.29 31.27 3fly h VAL 127 CO 0.05 0.13 -0.21 1.56 0.02 0.00 0.00 177.57 179.12 3fly h GLN 128 N 0.32 -0.10 -0.23 1.57 4.20 -0.94 -0.16 115.11 119.77 3fly h GLN 128 Ca 0.09 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 3fly h GLN 128 Cb 0.08 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3fly h GLN 128 CO -0.01 -0.07 -0.09 0.35 -0.67 0.00 0.00 178.83 178.34 3fly h PHE 129 N -0.11 0.53 -0.04 2.96 3.57 -1.19 -0.81 116.94 121.85 3fly h PHE 129 Ca 0.23 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 3fly h PHE 129 Cb 0.46 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 3fly h PHE 129 CO -0.49 0.72 0.01 -0.07 -2.23 0.00 0.00 178.31 176.25 3fly h LEU 130 N 0.18 0.06 -0.82 0.59 3.38 -1.08 -2.42 115.31 115.20 3fly h LEU 130 Ca 0.05 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 3fly h LEU 130 Cb 0.57 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3fly h LEU 130 CO 0.03 0.27 0.03 0.40 0.09 0.00 0.00 178.44 179.27 3fly h ILE 131 N -0.17 1.25 -0.35 1.22 1.08 -1.06 -2.23 117.51 117.26 3fly h ILE 131 Ca 0.01 -1.03 0.07 0.00 -0.39 0.00 0.00 64.86 63.51 3fly h ILE 131 Cb 0.24 0.79 -0.06 0.00 -3.07 0.00 0.00 36.82 34.72 3fly h ILE 131 CO 0.00 0.37 -0.04 0.22 -0.69 0.00 0.00 178.15 178.02 3fly h TYR 132 N 0.86 -0.09 -0.72 1.37 3.20 -1.07 -0.85 116.97 119.67 3fly h TYR 132 Ca 0.17 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 3fly h TYR 132 Cb 0.46 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 3fly h TYR 132 CO 0.03 -0.10 0.35 1.96 -1.64 0.00 0.00 178.16 178.76 3fly h GLN 133 N 0.05 1.04 -0.22 1.82 4.20 -1.19 0.14 115.11 120.94 3fly h GLN 133 Ca 0.17 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.75 3fly h GLN 133 Cb 0.25 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3fly h GLN 133 CO -0.32 0.81 0.10 0.82 -0.67 0.00 0.00 178.83 179.57 3fly h ILE 134 N 1.01 0.98 -0.39 2.54 2.04 -1.02 -0.30 117.51 122.37 3fly h ILE 134 Ca 0.25 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.96 3fly h ILE 134 Cb 0.11 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3fly h ILE 134 CO -0.03 0.04 -0.07 -0.07 0.00 0.00 0.00 178.15 178.01 3fly h LEU 135 N 0.22 0.64 -0.26 1.44 3.38 -0.80 0.14 115.31 120.07 3fly h LEU 135 Ca 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3fly h LEU 135 Cb 0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3fly h LEU 135 CO -0.08 0.76 0.13 -0.09 0.09 0.00 0.00 178.44 179.25 3fly h ARG 136 N 0.61 0.36 -0.58 1.13 2.43 -0.44 0.11 114.38 118.01 3fly h ARG 136 Ca 0.11 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3fly h ARG 136 Cb 0.49 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3fly h ARG 136 CO 0.03 0.34 0.19 0.78 -1.51 0.00 0.00 179.97 179.80 3fly h GLY 137 N 0.29 0.95 1.07 2.80 0.00 -0.80 -2.93 103.07 104.46 3fly h GLY 137 Ca 0.09 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 3fly h GLY 137 CO -0.01 0.52 0.16 1.41 0.00 0.00 0.00 176.54 178.62 3fly h LEU 138 N 0.81 1.09 -0.44 3.11 3.38 -0.51 -0.57 115.31 122.18 3fly h LEU 138 Ca 0.19 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.99 3fly h LEU 138 Cb 0.27 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 3fly h LEU 138 CO -0.01 1.05 0.09 0.50 0.09 0.00 0.00 178.44 180.15 3fly h LYS 139 N 1.08 0.21 0.47 1.13 3.64 -0.72 0.19 116.57 122.58 3fly h LYS 139 Ca 0.22 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3fly h LYS 139 Cb 0.39 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3fly h LYS 139 CO 0.00 0.14 -0.25 -0.92 -2.27 0.00 0.00 179.45 176.16 3fly h TYR 140 N 0.22 -0.64 -0.31 1.91 3.20 -1.28 -1.16 116.97 118.90 3fly h TYR 140 Ca 0.22 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.12 3fly h TYR 140 Cb 0.27 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 3fly h TYR 140 CO -0.21 -0.39 0.06 0.82 -1.64 0.00 0.00 178.16 176.80 3fly h ILE 141 N -0.66 0.85 -0.19 1.81 2.04 -0.83 -2.49 117.51 118.04 3fly h ILE 141 Ca -0.06 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3fly h ILE 141 Cb 0.52 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3fly h ILE 141 CO 0.09 0.03 -0.12 0.45 0.00 0.00 0.00 178.15 178.60 3fly h HIS 142 N 0.17 0.31 0.00 1.37 3.86 -0.59 -2.36 115.15 117.91 3fly h HIS 142 Ca 0.15 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3fly h HIS 142 Cb 0.16 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 3fly h HIS 142 CO -0.18 0.41 -0.01 0.66 0.86 0.00 0.00 177.93 179.68 3fly h SER 143 N 0.28 0.00 -0.51 2.45 4.64 -0.73 0.53 113.55 120.21 3fly h SER 143 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3fly h SER 143 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3fly h SER 143 CO 0.02 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 3fly n ALA 144 N -2.11 2.51 -3.66 5.18 0.00 -0.92 -4.74 120.51 116.78 3fly n ALA 144 Ca -0.01 -0.95 -0.27 0.00 0.00 0.00 0.00 53.44 52.21 3fly n ALA 144 Cb 0.19 -0.97 0.03 0.00 0.00 0.00 0.00 19.45 18.70 3fly n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fly n ASP 145 N 0.96 -5.13 -4.72 0.00 10.43 0.18 -4.41 116.55 113.86 3fly n ASP 145 Ca 0.18 -0.61 -0.35 0.00 2.57 0.00 0.00 54.79 56.57 3fly n ASP 145 Cb 0.48 -4.11 -0.09 0.00 1.84 0.00 0.00 41.12 39.25 3fly n ASP 145 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3fly s ILE 146 N -3.23 4.65 -0.09 0.53 1.01 -1.03 -5.03 121.20 118.00 3fly s ILE 146 Ca 0.57 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 61.11 3fly s ILE 146 Cb -0.28 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 3fly s ILE 146 CO 0.70 0.59 -0.11 -0.63 0.00 0.00 0.00 174.94 175.50 3fly s ILE 147 N -0.76 3.33 -0.00 2.92 1.01 -1.26 -3.75 121.20 122.69 3fly s ILE 147 Ca 0.12 -0.60 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 3fly s ILE 147 Cb -0.12 -2.37 -0.16 0.00 0.01 0.00 0.00 42.46 39.82 3fly s ILE 147 CO 0.02 0.56 1.17 -0.74 0.00 0.00 0.00 174.94 175.96 3fly h HIS 148 N 5.89 -0.38 0.00 3.97 -0.00 -1.93 -2.32 115.15 120.39 3fly h HIS 148 Ca -0.39 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.97 3fly h HIS 148 Cb 1.18 0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 3fly h HIS 148 CO 0.52 -0.04 0.00 0.54 -0.00 0.00 0.00 177.93 178.96 3fly n ARG 149 N -5.11 0.00 -2.77 5.26 1.74 -1.26 -2.29 116.66 112.23 3fly n ARG 149 Ca -0.09 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.97 3fly n ARG 149 Cb 0.27 -0.92 0.08 0.00 -1.02 0.00 0.00 32.46 30.87 3fly n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fly n ASP 150 N 0.00 0.43 -4.70 0.55 2.03 -1.26 -5.02 116.55 108.58 3fly n ASP 150 Ca 0.00 -2.13 -0.42 0.00 0.52 0.00 0.00 54.79 52.76 3fly n ASP 150 Cb 0.00 -0.04 -0.03 0.00 -0.72 0.00 0.00 41.12 40.33 3fly n ASP 150 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3fly s LEU 151 N -3.87 4.35 0.18 -2.67 1.43 -1.26 -4.89 118.68 111.95 3fly s LEU 151 Ca 0.21 2.38 -0.21 0.00 -1.03 0.00 0.00 54.13 55.48 3fly s LEU 151 Cb 0.37 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 43.07 3fly s LEU 151 CO -0.07 -0.79 0.57 -1.59 0.23 0.00 0.00 176.35 174.70 3fly s LYS 152 N 2.06 1.33 0.42 1.70 -2.85 -1.26 -4.82 119.74 116.31 3fly s LYS 152 Ca 0.69 -0.63 0.19 0.00 -1.00 0.00 0.00 55.97 55.21 3fly s LYS 152 Cb -0.38 0.56 1.11 0.00 -2.06 0.00 0.00 37.83 37.07 3fly s LYS 152 CO 0.30 -0.57 1.82 -1.35 0.10 0.00 0.00 175.35 175.64 3fly h PRO 153 N 2.09 0.37 0.00 1.78 0.11 -1.94 0.65 132.00 135.06 3fly h PRO 153 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3fly h PRO 153 Cb 1.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3fly h PRO 153 CO 0.37 0.25 0.00 0.66 -0.21 0.00 0.00 178.00 179.07 3fly h SER 154 N 0.38 0.00 -0.67 -2.05 4.64 -1.95 -2.00 113.55 111.90 3fly h SER 154 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 3fly h SER 154 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3fly h SER 154 CO -0.22 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.33 3fly n ASN 155 N -2.51 3.68 -4.02 4.97 3.02 0.22 -4.84 115.26 115.77 3fly n ASN 155 Ca 0.02 -2.03 -0.31 0.00 -0.03 0.00 0.00 54.58 52.22 3fly n ASN 155 Cb 0.27 -0.46 -0.15 0.00 -0.61 0.00 0.00 39.78 38.82 3fly n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fly s LEU 156 N -1.05 2.80 -0.03 3.41 1.43 -0.80 -0.80 118.68 123.63 3fly s LEU 156 Ca 0.45 -1.14 -0.00 0.00 -1.03 0.00 0.00 54.13 52.41 3fly s LEU 156 Cb 0.24 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 3fly s LEU 156 CO 0.30 -0.17 0.03 0.00 0.23 0.00 0.00 176.35 176.74 3fly s ALA 157 N 1.27 3.38 -0.02 4.21 0.00 -0.53 -0.34 121.76 129.73 3fly s ALA 157 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3fly s ALA 157 Cb -0.18 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 21.49 3fly s ALA 157 CO -0.07 0.64 0.00 0.08 0.00 0.00 0.00 175.76 176.41 3fly s VAL 158 N -1.05 0.11 0.39 0.00 1.01 0.53 -0.54 120.40 120.84 3fly s VAL 158 Ca 0.18 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 3fly s VAL 158 Cb -0.12 -0.17 0.08 0.00 0.00 0.00 0.00 36.38 36.17 3fly s VAL 158 CO 0.08 0.09 0.53 -0.46 0.00 0.00 0.00 175.10 175.34 3fly n ASN 159 N 3.74 0.45 0.10 3.32 0.23 -0.61 -2.83 115.26 119.66 3fly n ASN 159 Ca -0.22 -1.44 0.05 0.00 -0.53 0.00 0.00 54.58 52.44 3fly n ASN 159 Cb 0.54 -0.37 0.48 0.00 -2.08 0.00 0.00 39.78 38.35 3fly n ASN 159 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3fly h GLU 160 N 0.00 0.31 -0.53 -3.83 3.07 -1.99 -1.02 114.58 110.59 3fly h GLU 160 Ca -0.17 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3fly h GLU 160 Cb 0.58 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3fly h GLU 160 CO 0.16 0.25 0.00 -0.25 -1.40 0.00 0.00 179.01 177.77 3fly n ASP 161 N -4.46 2.27 -0.75 1.42 10.43 -1.26 -4.90 116.55 119.30 3fly n ASP 161 Ca 0.00 -2.17 -0.10 0.00 2.57 0.00 0.00 54.79 55.10 3fly n ASP 161 Cb 0.11 -0.37 -0.04 0.00 1.84 0.00 0.00 41.12 42.66 3fly n ASP 161 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3fly s GLU 163 N -2.63 4.40 0.00 0.00 2.02 -1.26 -4.80 118.70 116.44 3fly s GLU 163 Ca 0.00 1.75 0.03 0.00 0.02 0.00 0.00 54.97 56.78 3fly s GLU 163 Cb 0.00 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 3fly s GLU 163 CO 0.00 -0.32 -0.08 -1.17 0.02 0.00 0.00 175.26 173.71 3fly s LEU 164 N 1.45 3.10 0.02 1.80 0.20 -1.26 -1.58 118.68 122.42 3fly s LEU 164 Ca 0.58 -0.16 0.05 0.00 0.69 0.00 0.00 54.13 55.29 3fly s LEU 164 Cb -0.28 -1.77 -0.02 0.00 -0.43 0.00 0.00 46.19 43.69 3fly s LEU 164 CO 0.27 0.29 -0.15 -0.54 -0.29 0.00 0.00 176.35 175.92 3fly s LYS 165 N -1.36 1.12 -0.14 1.98 1.02 0.29 -4.23 119.74 118.42 3fly s LYS 165 Ca 0.16 -0.70 -0.19 0.00 0.02 0.00 0.00 55.97 55.26 3fly s LYS 165 Cb -0.11 -1.12 -0.04 0.00 -0.52 0.00 0.00 37.83 36.04 3fly s LYS 165 CO 0.07 0.29 0.54 0.42 -0.92 0.00 0.00 175.35 175.75 3fly s ILE 166 N -0.64 5.13 0.17 2.17 1.01 0.09 -1.45 121.20 127.68 3fly s ILE 166 Ca 0.04 1.06 0.07 0.00 0.00 0.00 0.00 60.65 61.82 3fly s ILE 166 Cb -0.07 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 3fly s ILE 166 CO 0.01 0.25 -0.01 -0.76 0.00 0.00 0.00 174.94 174.43 3fly s LEU 167 N 1.06 3.30 -1.04 2.97 1.43 0.02 -1.22 118.68 125.20 3fly s LEU 167 Ca 0.28 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 3fly s LEU 167 Cb -0.16 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.11 3fly s LEU 167 CO 0.11 0.09 0.42 0.47 0.23 0.00 0.00 176.35 177.68 3fly n ASP 168 N -0.09 -4.64 -4.81 2.29 8.00 -1.26 -4.84 116.55 111.20 3fly n ASP 168 Ca -0.10 -0.20 -0.35 0.00 0.71 0.00 0.00 54.79 54.86 3fly n ASP 168 Cb 0.55 -3.50 -0.07 0.00 -0.02 0.00 0.00 41.12 38.08 3fly n ASP 168 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3fly s PHE 169 N -2.97 3.46 -0.57 1.24 -0.12 -1.26 -4.28 117.98 113.47 3fly s PHE 169 Ca 0.21 1.66 0.00 0.00 -0.05 0.00 0.00 56.93 58.75 3fly s PHE 169 Cb -0.09 -2.86 0.00 0.00 -0.63 0.00 0.00 43.02 39.43 3fly s PHE 169 CO 0.26 0.02 0.00 0.41 -0.05 0.00 0.00 175.22 175.86 3fly n GLY 170 N -0.16 0.76 0.00 1.99 0.00 -0.87 -4.95 105.19 101.96 3fly n GLY 170 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3fly n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fly n LEU 171 N -0.61 0.00 0.00 0.99 7.99 -1.26 -5.00 117.00 119.11 3fly n LEU 171 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.95 3fly n LEU 171 Cb 0.25 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 3fly n LEU 171 CO 0.08 0.00 0.00 1.41 -1.51 0.00 0.00 177.39 177.37 3fly n HIS 174 N 0.00 0.00 -1.63 -1.77 8.25 -1.26 -4.95 115.22 113.86 3fly n HIS 174 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 3fly n HIS 174 Cb 0.00 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.21 3fly n HIS 174 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3fly s THR 175 N 0.00 2.56 0.25 1.59 -4.23 -1.26 -4.93 115.64 109.62 3fly s THR 175 Ca 0.00 0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 60.64 3fly s THR 175 Cb 0.00 -2.99 0.23 0.00 1.34 0.00 0.00 72.50 71.08 3fly s THR 175 CO 0.00 -0.24 1.86 0.44 -0.54 0.00 0.00 174.62 176.14 3fly h ASP 176 N -1.20 0.88 -0.64 3.99 3.45 -2.04 -2.85 116.42 118.01 3fly h ASP 176 Ca -0.48 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 56.99 3fly h ASP 176 Cb 1.30 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 39.87 3fly h ASP 176 CO 0.62 0.56 0.38 -0.78 -1.57 0.00 0.00 179.24 178.45 3fly h ASP 177 N 1.01 0.77 0.77 6.45 1.82 -1.96 -2.47 116.42 122.81 3fly h ASP 177 Ca 0.39 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.97 3fly h ASP 177 Cb 0.18 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 39.99 3fly h ASP 177 CO -0.18 0.61 -0.02 -1.84 -1.61 0.00 0.00 179.24 176.20 3fly n GLU 178 N -4.58 0.21 0.00 0.28 0.28 -1.12 -2.38 120.64 113.34 3fly n GLU 178 Ca 0.05 -0.01 0.13 0.00 -0.16 0.00 0.00 57.16 57.17 3fly n GLU 178 Cb 0.06 -1.50 0.39 0.00 1.43 0.00 0.00 31.44 31.82 3fly n GLU 178 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3fly n MET 179 N -1.38 1.79 -3.39 3.44 2.81 -0.95 -4.70 117.12 114.74 3fly n MET 179 Ca 0.10 -1.20 -0.38 0.00 -1.81 0.00 0.00 57.70 54.42 3fly n MET 179 Cb 0.29 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.27 3fly n MET 179 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3fly s THR 180 N -2.04 5.10 0.00 2.03 2.01 -1.00 -4.81 115.64 116.94 3fly s THR 180 Ca 0.34 0.91 0.00 0.00 0.31 0.00 0.00 61.69 63.26 3fly s THR 180 Cb 0.21 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.94 3fly s THR 180 CO 0.34 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 175.31 3fly n GLY 181 N 2.67 -0.96 3.46 4.40 0.00 -1.26 -4.59 105.19 108.91 3fly n GLY 181 Ca -0.10 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 3fly n GLY 181 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3fly n TYR 182 N 0.00 4.62 -4.13 1.61 9.36 -1.09 -3.84 117.16 123.70 3fly n TYR 182 Ca 0.00 -3.02 -0.17 0.00 3.32 0.00 0.00 57.90 58.03 3fly n TYR 182 Cb 0.00 -2.46 -0.15 0.00 -0.63 0.00 0.00 39.34 36.10 3fly n TYR 182 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3fly s VAL 183 N 3.12 0.41 0.25 2.97 -7.23 -1.26 -5.03 120.40 113.63 3fly s VAL 183 Ca 0.49 -0.14 0.35 0.00 -1.81 0.00 0.00 61.98 60.87 3fly s VAL 183 Cb 0.03 -0.39 0.37 0.00 0.56 0.00 0.00 36.38 36.94 3fly s VAL 183 CO 0.04 0.15 2.08 0.00 -0.31 0.00 0.00 175.10 177.06 3fly h ALA 184 N 6.53 1.00 0.00 1.32 0.00 -1.93 -2.25 119.26 123.93 3fly h ALA 184 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3fly h ALA 184 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3fly h ALA 184 CO 0.49 0.00 0.00 1.79 0.00 0.00 0.00 179.25 181.53 3fly h THR 185 N 0.00 0.00 0.00 0.00 1.35 -1.96 -3.17 112.91 109.13 3fly h THR 185 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3fly h THR 185 Cb 0.13 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 3fly h THR 185 CO 0.00 0.00 -1.02 -1.14 -0.25 0.00 0.00 175.52 173.11 3fly n ARG 186 N -2.85 0.66 0.32 4.72 0.63 -0.85 -4.75 116.66 114.53 3fly n ARG 186 Ca -0.01 -0.02 0.19 0.00 -0.92 0.00 0.00 57.85 57.09 3fly n ARG 186 Cb 0.14 -1.02 1.05 0.00 0.45 0.00 0.00 32.46 33.08 3fly n ARG 186 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 3fly h TRP 187 N 0.00 0.00 -0.20 -0.14 6.55 -1.51 -2.34 115.95 118.32 3fly h TRP 187 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3fly h TRP 187 Cb 0.11 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.41 3fly h TRP 187 CO 0.00 0.01 0.00 0.66 -1.05 0.00 0.00 178.44 178.06 3fly n TYR 188 N -3.35 0.24 -2.90 0.49 4.02 -1.26 -4.58 117.16 109.83 3fly n TYR 188 Ca -0.03 -0.19 -0.40 0.00 -0.01 0.00 0.00 57.90 57.28 3fly n TYR 188 Cb 0.11 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.37 3fly n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3fly s ARG 189 N -1.19 4.58 0.42 -0.72 1.81 -0.88 -3.76 118.95 119.21 3fly s ARG 189 Ca 0.24 1.21 -0.26 0.00 -1.72 0.00 0.00 55.73 55.19 3fly s ARG 189 Cb 0.14 -3.35 -0.10 0.00 -0.45 0.00 0.00 34.95 31.20 3fly s ARG 189 CO 0.20 0.32 1.44 0.00 -0.68 0.00 0.00 175.30 176.58 3fly n ALA 190 N 2.55 2.08 -0.13 2.13 0.00 -1.26 -4.80 120.51 121.08 3fly n ALA 190 Ca -0.02 0.29 0.06 0.00 0.00 0.00 0.00 53.44 53.77 3fly n ALA 190 Cb 0.49 -2.39 0.37 0.00 0.00 0.00 0.00 19.45 17.93 3fly n ALA 190 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3fly h PRO 191 N 2.53 0.69 0.00 0.00 0.13 -1.96 -0.97 132.00 132.43 3fly h PRO 191 Ca -0.50 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.55 3fly h PRO 191 Cb 1.26 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3fly h PRO 191 CO 0.62 0.45 -0.15 1.05 -0.23 0.00 0.00 178.00 179.74 3fly h GLU 192 N 0.71 0.00 0.06 0.86 9.09 -1.91 -1.76 114.58 121.63 3fly h GLU 192 Ca 0.27 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.34 3fly h GLU 192 Cb 0.16 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.23 3fly h GLU 192 CO -0.08 0.15 -1.90 1.51 0.05 0.00 0.00 179.01 178.74 3fly n ILE 193 N -4.03 1.69 -0.16 -1.06 3.06 -0.79 -0.76 119.36 117.30 3fly n ILE 193 Ca -0.02 -0.72 0.01 0.00 -2.50 0.00 0.00 62.75 59.51 3fly n ILE 193 Cb 0.23 -1.38 0.27 0.00 0.54 0.00 0.00 39.64 39.30 3fly n ILE 193 CO 0.00 0.00 0.00 -0.03 -2.50 0.00 0.00 176.55 174.02 3fly h MET 194 N 0.04 0.88 -0.15 9.51 4.05 -0.93 -2.99 114.93 125.34 3fly h MET 194 Ca -0.37 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 3fly h MET 194 Cb 2.03 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 32.64 3fly h MET 194 CO 0.08 0.62 0.00 1.28 0.23 0.00 0.00 176.91 179.11 3fly n LEU 195 N -4.41 2.81 -4.02 3.39 4.77 -0.69 -5.01 117.00 113.85 3fly n LEU 195 Ca 0.07 -2.56 -0.29 0.00 -0.03 0.00 0.00 56.01 53.20 3fly n LEU 195 Cb 0.07 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 3fly n LEU 195 CO 0.37 0.66 -0.27 0.59 -1.33 0.00 0.00 177.39 177.40 3fly n ASN 196 N -0.52 -0.71 -0.12 -1.43 5.03 -1.04 -4.88 115.26 111.60 3fly n ASN 196 Ca 0.13 -1.09 -0.08 0.00 0.87 0.00 0.00 54.58 54.41 3fly n ASN 196 Cb 0.57 -2.66 0.08 0.00 -1.02 0.00 0.00 39.78 36.75 3fly n ASN 196 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 3fly h TRP 197 N -1.88 0.95 -2.95 3.10 6.55 -1.22 -3.44 115.95 117.06 3fly h TRP 197 Ca -0.65 -0.20 0.07 0.00 0.95 0.00 0.00 58.89 59.06 3fly h TRP 197 Cb 1.38 -0.23 -0.05 0.00 -0.86 0.00 0.00 29.16 29.40 3fly h TRP 197 CO 0.47 0.95 0.25 0.00 -1.05 0.00 0.00 178.44 179.07 3fly s MET 198 N -4.71 1.78 -0.19 0.49 0.23 -1.25 -2.24 119.30 113.42 3fly s MET 198 Ca -0.10 -1.01 -0.29 0.00 -1.03 0.00 0.00 55.69 53.27 3fly s MET 198 Cb 0.13 0.60 -0.04 0.00 -1.53 0.00 0.00 34.83 33.99 3fly s MET 198 CO 0.84 -0.82 1.83 -1.58 -2.03 0.00 0.00 175.02 173.27 3fly s HIS 199 N -3.72 1.71 0.52 3.16 5.65 -1.26 -4.87 115.29 116.48 3fly s HIS 199 Ca 0.12 0.38 -0.06 0.00 0.25 0.00 0.00 55.06 55.74 3fly s HIS 199 Cb -0.06 -4.03 -0.03 0.00 -1.18 0.00 0.00 32.58 27.28 3fly s HIS 199 CO 0.07 -3.65 0.85 1.52 -0.65 0.00 0.00 174.74 172.88 3fly s TYR 200 N 5.98 3.54 0.00 3.88 -0.85 -1.26 -5.11 117.35 123.53 3fly s TYR 200 Ca 0.82 0.88 0.00 0.00 -0.52 0.00 0.00 57.07 58.25 3fly s TYR 200 Cb -0.29 -2.44 0.00 0.00 0.38 0.00 0.00 41.96 39.60 3fly s TYR 200 CO 0.33 -0.43 0.00 0.27 -1.52 0.00 0.00 175.55 174.20 3fly n ASN 201 N -2.40 0.54 0.11 -0.18 0.23 -1.26 -5.04 115.26 107.25 3fly n ASN 201 Ca 0.02 -0.40 0.18 0.00 -0.53 0.00 0.00 54.58 53.86 3fly n ASN 201 Cb 0.55 0.00 0.75 0.00 -2.08 0.00 0.00 39.78 39.00 3fly n ASN 201 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3fly h GLN 202 N 0.00 0.00 0.00 -3.83 4.20 -1.99 -2.50 115.11 110.99 3fly h GLN 202 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fly h GLN 202 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3fly h GLN 202 CO 0.00 0.00 0.00 1.79 -0.67 0.00 0.00 178.83 179.95 3fly h THR 203 N 0.00 0.00 -0.23 -0.54 1.35 -1.96 -1.85 112.91 109.67 3fly h THR 203 Ca 0.17 -0.02 -0.02 0.00 -0.55 0.00 0.00 66.41 65.99 3fly h THR 203 Cb 0.79 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 3fly h THR 203 CO -0.00 0.00 0.06 -0.37 -0.25 0.00 0.00 175.52 174.96 3fly h VAL 204 N 0.00 1.11 -0.32 6.82 -1.51 -1.83 -2.46 116.25 118.05 3fly h VAL 204 Ca 0.00 -0.38 -0.12 0.00 -1.23 0.00 0.00 66.70 64.97 3fly h VAL 204 Cb 0.02 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 30.03 3fly h VAL 204 CO 0.00 0.14 -0.28 0.44 -1.23 0.00 0.00 177.57 176.64 3fly h ASP 205 N 0.32 0.68 -0.54 4.19 3.32 -1.58 -2.84 116.42 119.97 3fly h ASP 205 Ca 0.08 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 3fly h ASP 205 Cb 0.12 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3fly h ASP 205 CO -0.00 0.93 0.11 0.40 -1.72 0.00 0.00 179.24 178.95 3fly h ILE 206 N 0.57 1.24 -0.33 0.35 1.08 -1.57 -1.52 117.51 117.34 3fly h ILE 206 Ca 0.07 -0.93 0.06 0.00 -0.39 0.00 0.00 64.86 63.68 3fly h ILE 206 Cb 0.77 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 35.14 3fly h ILE 206 CO 0.06 0.34 -0.05 -0.25 -0.69 0.00 0.00 178.15 177.56 3fly h TRP 207 N 0.89 -0.12 -0.77 1.37 2.91 -1.34 -1.38 115.95 117.51 3fly h TRP 207 Ca 0.18 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.26 3fly h TRP 207 Cb 0.37 0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 29.07 3fly h TRP 207 CO 0.02 -0.11 0.49 0.77 -1.03 0.00 0.00 178.44 178.58 3fly h SER 208 N 0.03 0.80 -0.79 2.65 0.02 -1.20 -1.87 113.55 113.20 3fly h SER 208 Ca 0.16 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3fly h SER 208 Cb 0.23 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3fly h SER 208 CO -0.31 0.55 0.52 0.58 -1.14 0.00 0.00 176.83 177.03 3fly h VAL 209 N 0.95 1.18 -0.35 2.27 2.07 -0.84 -0.28 116.25 121.25 3fly h VAL 209 Ca 0.31 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.51 3fly h VAL 209 Cb 0.01 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 3fly h VAL 209 CO -0.11 0.19 0.12 1.23 0.02 0.00 0.00 177.57 179.03 3fly h GLY 210 N 1.05 0.45 1.02 2.17 0.00 -0.51 0.37 103.07 107.62 3fly h GLY 210 Ca 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 3fly h GLY 210 CO -0.08 0.03 0.48 0.00 0.00 0.00 0.00 176.54 176.98 3fly h ILE 212 N 1.20 1.32 -0.43 0.00 2.04 -0.57 -2.47 117.51 118.59 3fly h ILE 212 Ca 0.30 -0.95 0.06 0.00 1.00 0.00 0.00 64.86 65.27 3fly h ILE 212 Cb 0.02 1.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 3fly h ILE 212 CO -0.05 0.25 0.14 -0.03 0.00 0.00 0.00 178.15 178.46 3fly h MET 213 N -0.36 0.30 -0.35 2.37 4.05 -0.13 -0.77 114.93 120.04 3fly h MET 213 Ca 0.00 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.46 3fly h MET 213 Cb 0.41 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.10 3fly h MET 213 CO 0.00 0.20 0.06 0.00 0.23 0.00 0.00 176.91 177.40 3fly h ALA 214 N 1.29 0.36 -0.95 0.39 0.00 -1.18 -1.44 119.26 117.74 3fly h ALA 214 Ca 0.20 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3fly h ALA 214 Cb 0.21 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3fly h ALA 214 CO -0.22 -0.34 0.62 1.49 0.00 0.00 0.00 179.25 180.80 3fly h GLU 215 N 0.18 1.21 -0.70 0.00 4.81 -0.93 -0.92 114.58 118.23 3fly h GLU 215 Ca 0.16 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3fly h GLU 215 Cb 0.19 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3fly h GLU 215 CO -0.22 0.80 0.33 -0.07 -0.73 0.00 0.00 179.01 179.11 3fly h LEU 216 N 1.25 0.90 -0.48 1.64 3.38 -0.69 0.46 115.31 121.76 3fly h LEU 216 Ca 0.36 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 58.06 3fly h LEU 216 Cb -0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3fly h LEU 216 CO -0.09 0.76 -0.72 -0.07 0.09 0.00 0.00 178.44 178.41 3fly h LEU 217 N 0.99 0.32 0.00 1.67 3.38 -0.53 -1.99 115.31 119.15 3fly h LEU 217 Ca 0.24 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3fly h LEU 217 Cb 0.11 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3fly h LEU 217 CO -0.03 0.93 -1.55 0.35 0.09 0.00 0.00 178.44 178.23 3fly n THR 218 N -3.80 0.09 -1.00 0.22 -2.24 -0.42 -4.59 114.28 102.54 3fly n THR 218 Ca -0.03 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3fly n THR 218 Cb 0.70 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 3fly n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fly n GLY 219 N 1.91 0.47 3.08 3.38 0.00 0.16 -4.40 105.19 109.80 3fly n GLY 219 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 3fly n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fly s ARG 220 N -0.12 0.82 0.19 1.61 1.81 -1.22 -4.20 118.95 117.84 3fly s ARG 220 Ca 0.00 -0.55 -0.33 0.00 -1.72 0.00 0.00 55.73 53.13 3fly s ARG 220 Cb 0.00 -0.78 -0.14 0.00 -0.45 0.00 0.00 34.95 33.58 3fly s ARG 220 CO 0.00 0.20 1.48 2.41 -0.68 0.00 0.00 175.30 178.71 3fly n THR 221 N 2.32 0.40 -0.02 0.02 -1.04 -1.26 -3.99 114.28 110.72 3fly n THR 221 Ca -0.16 -0.10 -0.13 0.00 -2.04 0.00 0.00 64.05 61.62 3fly n THR 221 Cb 0.56 -1.45 -0.09 0.00 -1.82 0.00 0.00 70.33 67.53 3fly n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3fly h LEU 222 N 5.08 0.07 -6.12 -4.42 5.85 -1.92 -3.38 115.31 110.46 3fly h LEU 222 Ca -0.45 -0.46 -0.59 0.00 0.84 0.00 0.00 57.88 57.23 3fly h LEU 222 Cb 1.27 -0.02 -0.41 0.00 0.37 0.00 0.00 40.66 41.87 3fly h LEU 222 CO 0.82 0.51 -0.75 0.49 -0.34 0.00 0.00 178.44 179.17 3fly n PHE 223 N -4.82 2.45 -1.30 1.25 3.01 -1.26 -5.00 117.46 111.78 3fly n PHE 223 Ca -0.08 -3.98 -0.38 0.00 1.01 0.00 0.00 57.45 54.03 3fly n PHE 223 Cb 0.25 -0.50 -0.03 0.00 -0.01 0.00 0.00 39.48 39.20 3fly n PHE 223 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3fly n PRO 224 N 0.99 3.41 -1.88 -1.08 -0.04 -1.26 -4.69 135.00 130.45 3fly n PRO 224 Ca 0.27 -2.17 -0.40 0.00 -0.04 0.00 0.00 63.50 61.17 3fly n PRO 224 Cb 0.45 -2.83 0.01 0.00 -0.04 0.00 0.00 33.50 31.09 3fly n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3fly s GLY 225 N 2.47 2.92 0.07 0.55 0.00 -1.26 -4.92 107.32 107.15 3fly s GLY 225 Ca 0.64 1.39 0.27 0.00 0.00 0.00 0.00 44.72 47.02 3fly s GLY 225 CO -0.06 1.99 1.74 -1.30 0.00 0.00 0.00 173.10 175.48 3fly n THR 226 N -0.12 0.21 -3.84 0.90 -2.24 -1.26 -4.23 114.28 103.69 3fly n THR 226 Ca 0.05 -0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 61.70 3fly n THR 226 Cb 0.42 -0.37 0.01 0.00 -2.10 0.00 0.00 70.33 68.29 3fly n THR 226 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3fly s ASP 227 N -3.56 -0.04 0.20 3.42 1.47 -1.25 -2.66 116.67 114.25 3fly s ASP 227 Ca 0.12 -0.46 -0.12 0.00 1.18 0.00 0.00 52.55 53.27 3fly s ASP 227 Cb 0.16 0.38 0.23 0.00 -0.34 0.00 0.00 42.92 43.36 3fly s ASP 227 CO 0.60 -0.75 1.71 0.45 0.68 0.00 0.00 175.17 177.86 3fly h HIS 228 N 2.00 0.18 -0.16 2.11 3.86 -1.88 0.03 115.15 121.30 3fly h HIS 228 Ca -0.26 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 58.92 3fly h HIS 228 Cb 1.21 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.68 3fly h HIS 228 CO 1.05 -0.01 -0.13 0.82 0.86 0.00 0.00 177.93 180.52 3fly h ILE 229 N 0.25 1.34 -0.72 2.45 1.08 -1.99 -1.17 117.51 118.75 3fly h ILE 229 Ca 0.28 -1.26 0.04 0.00 -0.39 0.00 0.00 64.86 63.53 3fly h ILE 229 Cb 0.38 1.82 -0.05 0.00 -3.07 0.00 0.00 36.82 35.90 3fly h ILE 229 CO -0.35 0.37 0.44 -0.78 -0.69 0.00 0.00 178.15 177.13 3fly h ASP 230 N 0.01 0.70 -0.61 1.72 1.82 -1.90 -1.70 116.42 116.46 3fly h ASP 230 Ca 0.03 0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 56.62 3fly h ASP 230 Cb 0.65 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.49 3fly h ASP 230 CO 0.03 0.47 0.16 -0.61 -1.61 0.00 0.00 179.24 177.69 3fly h GLN 231 N 0.84 0.97 -0.74 0.28 4.15 -0.88 -1.89 115.11 117.84 3fly h GLN 231 Ca 0.30 -0.22 0.03 0.00 0.77 0.00 0.00 58.65 59.53 3fly h GLN 231 Cb 0.07 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.58 3fly h GLN 231 CO -0.13 0.87 0.46 1.25 -1.93 0.00 0.00 178.83 179.35 3fly h LEU 232 N 0.88 0.75 -0.69 -2.39 5.85 -0.83 -0.24 115.31 118.64 3fly h LEU 232 Ca 0.19 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3fly h LEU 232 Cb 0.33 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3fly h LEU 232 CO -0.00 0.51 0.39 0.11 -0.34 0.00 0.00 178.44 179.11 3fly h LYS 233 N 0.89 0.96 -0.56 1.25 1.57 -0.99 0.14 116.57 119.84 3fly h LYS 233 Ca 0.30 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3fly h LYS 233 Cb 0.04 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 3fly h LYS 233 CO -0.12 0.71 0.36 -0.07 -0.57 0.00 0.00 179.45 179.76 3fly h LEU 234 N 0.95 0.66 0.20 2.94 3.38 -0.93 -0.92 115.31 121.58 3fly h LEU 234 Ca 0.24 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3fly h LEU 234 Cb 0.03 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3fly h LEU 234 CO -0.04 0.50 -0.09 0.40 0.09 0.00 0.00 178.44 179.29 3fly h ILE 235 N 0.75 0.84 0.00 1.22 2.04 -0.45 -3.04 117.51 118.88 3fly h ILE 235 Ca 0.20 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 3fly h ILE 235 Cb -0.05 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3fly h ILE 235 CO -0.04 0.04 -0.28 -0.07 0.00 0.00 0.00 178.15 177.80 3fly h LEU 236 N -0.36 0.00 -0.91 1.44 3.38 -0.64 -1.50 115.31 116.73 3fly h LEU 236 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3fly h LEU 236 Cb 0.27 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3fly h LEU 236 CO 0.04 0.28 0.45 -0.09 0.09 0.00 0.00 178.44 179.22 3fly h ARG 237 N 0.00 1.23 0.02 1.13 2.43 -1.10 0.59 114.38 118.68 3fly h ARG 237 Ca -0.00 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3fly h ARG 237 Cb 0.56 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3fly h ARG 237 CO 0.04 0.92 -0.01 1.25 -1.51 0.00 0.00 179.97 180.66 3fly h LEU 238 N 1.23 -0.02 -0.89 3.80 5.85 -1.29 -3.38 115.31 120.61 3fly h LEU 238 Ca 0.30 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3fly h LEU 238 Cb 0.07 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3fly h LEU 238 CO -0.04 0.77 -0.48 1.33 -0.34 0.00 0.00 178.44 179.67 3fly n VAL 239 N -4.72 0.00 0.00 1.05 0.24 -0.63 -0.70 118.33 113.58 3fly n VAL 239 Ca -0.09 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3fly n VAL 239 Cb 0.37 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 3fly n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fly n GLY 240 N 1.42 0.18 3.78 7.63 0.00 0.20 -4.27 105.19 114.12 3fly n GLY 240 Ca 0.09 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 3fly n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fly s THR 241 N -2.92 3.40 0.53 2.61 -4.23 -0.70 -4.67 115.64 109.66 3fly s THR 241 Ca 0.00 0.71 -0.21 0.00 -1.18 0.00 0.00 61.69 61.01 3fly s THR 241 Cb 0.00 -3.23 -0.06 0.00 1.34 0.00 0.00 72.50 70.55 3fly s THR 241 CO 0.00 -0.35 1.19 -2.16 -0.54 0.00 0.00 174.62 172.77 3fly s PRO 242 N -3.87 3.36 0.80 3.99 0.04 -1.26 -4.87 135.00 133.19 3fly s PRO 242 Ca 0.67 1.81 -0.08 0.00 0.04 0.00 0.00 61.00 63.45 3fly s PRO 242 Cb -0.20 -2.16 0.13 0.00 0.04 0.00 0.00 34.50 32.31 3fly s PRO 242 CO 0.36 -0.89 1.11 0.20 0.04 0.00 0.00 177.00 177.83 3fly s GLY 243 N -1.46 1.74 0.37 0.56 0.00 -1.26 -4.88 107.32 102.39 3fly s GLY 243 Ca 0.71 -1.26 0.09 0.00 0.00 0.00 0.00 44.72 44.25 3fly s GLY 243 CO 0.34 -0.68 1.91 0.00 0.00 0.00 0.00 173.10 174.67 3fly h ALA 244 N -0.93 1.83 0.14 3.20 0.00 -1.99 -1.65 119.26 119.86 3fly h ALA 244 Ca -0.42 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3fly h ALA 244 Cb 1.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3fly h ALA 244 CO 0.47 -0.02 -0.07 1.49 0.00 0.00 0.00 179.25 181.12 3fly h GLU 245 N 0.67 -0.18 -0.46 0.00 4.81 -2.01 -2.38 114.58 115.04 3fly h GLU 245 Ca 0.38 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.53 3fly h GLU 245 Cb 0.57 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 3fly h GLU 245 CO -0.15 -0.05 -0.07 1.25 -0.73 0.00 0.00 179.01 179.25 3fly h LEU 246 N -0.26 0.85 -0.98 1.64 5.85 -1.87 -3.17 115.31 117.38 3fly h LEU 246 Ca -0.02 -0.34 0.17 0.00 0.84 0.00 0.00 57.88 58.53 3fly h LEU 246 Cb 0.21 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 40.91 3fly h LEU 246 CO 0.03 0.99 0.58 -0.07 -0.34 0.00 0.00 178.44 179.64 3fly h LEU 247 N 0.69 0.76 -1.92 2.25 3.38 -1.17 0.10 115.31 119.40 3fly h LEU 247 Ca 0.12 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3fly h LEU 247 Cb 0.60 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3fly h LEU 247 CO 0.04 0.30 0.04 0.11 0.09 0.00 0.00 178.44 179.01 3fly h LYS 248 N 0.77 0.09 0.00 1.13 1.57 -1.40 -2.57 116.57 116.16 3fly h LYS 248 Ca 0.55 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 3fly h LYS 248 Cb 0.79 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3fly h LYS 248 CO -0.36 0.06 -0.23 1.63 -0.57 0.00 0.00 179.45 179.98 3fly n LYS 249 N -4.52 0.23 -2.33 3.15 5.02 0.34 -4.59 118.16 115.46 3fly n LYS 249 Ca -0.02 0.14 -0.38 0.00 -2.02 0.00 0.00 58.31 56.03 3fly n LYS 249 Cb 0.09 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.34 3fly n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fly s ILE 250 N -3.11 3.62 0.24 -0.18 1.01 -0.97 -4.77 121.20 117.04 3fly s ILE 250 Ca 0.10 -0.06 0.23 0.00 0.00 0.00 0.00 60.65 60.92 3fly s ILE 250 Cb 0.14 -4.53 0.22 0.00 0.01 0.00 0.00 42.46 38.29 3fly s ILE 250 CO 0.64 -1.47 1.88 0.77 0.00 0.00 0.00 174.94 176.76 3fly h SER 251 N 11.49 0.00 -2.95 3.58 4.64 -1.70 -3.41 113.55 125.21 3fly h SER 251 Ca -0.10 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.65 3fly h SER 251 Cb 1.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.11 3fly h SER 251 CO 1.29 0.24 1.15 -0.55 -0.87 0.00 0.00 176.83 178.08 3fly s SER 252 N -6.29 6.22 0.37 4.97 0.15 -1.10 -4.89 113.70 113.13 3fly s SER 252 Ca -0.01 1.19 0.07 0.00 0.70 0.00 0.00 55.95 57.90 3fly s SER 252 Cb 0.12 -2.53 0.72 0.00 -1.71 0.00 0.00 66.02 62.61 3fly s SER 252 CO 0.64 -1.46 1.92 -0.08 1.20 0.00 0.00 173.24 175.46 3fly h GLU 253 N 11.34 0.41 0.16 5.44 4.81 -1.94 -1.76 114.58 133.05 3fly h GLU 253 Ca -0.31 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 3fly h GLU 253 Cb 1.14 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3fly h GLU 253 CO 1.04 0.45 -0.07 1.03 -0.73 0.00 0.00 179.01 180.73 3fly h SER 254 N 0.40 -0.18 -0.53 1.04 0.87 -1.95 -2.11 113.55 111.10 3fly h SER 254 Ca 0.09 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 3fly h SER 254 Cb 0.28 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 3fly h SER 254 CO 0.01 0.22 0.34 0.00 -0.53 0.00 0.00 176.83 176.87 3fly h ALA 255 N 0.14 0.68 -0.51 6.23 0.00 -1.91 -2.12 119.26 121.77 3fly h ALA 255 Ca -0.02 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3fly h ALA 255 Cb 0.46 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3fly h ALA 255 CO 0.04 0.14 0.22 -0.09 0.00 0.00 0.00 179.25 179.56 3fly h ARG 256 N 0.72 0.42 -0.84 0.00 2.43 -1.37 -1.60 114.38 114.14 3fly h ARG 256 Ca 0.19 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3fly h ARG 256 Cb -0.05 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 3fly h ARG 256 CO -0.04 0.28 0.45 -0.97 -1.51 0.00 0.00 179.97 178.18 3fly h ASN 257 N 0.44 1.06 -0.43 -3.80 -0.73 -1.06 -2.89 115.58 108.17 3fly h ASN 257 Ca 0.23 -0.10 -0.08 0.00 1.87 0.00 0.00 56.30 58.22 3fly h ASN 257 Cb 0.19 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 3fly h ASN 257 CO -0.20 0.86 -0.04 0.22 -0.37 0.00 0.00 177.43 177.90 3fly h TYR 258 N 1.19 0.87 -0.81 0.67 3.20 -0.96 -3.19 116.97 117.95 3fly h TYR 258 Ca 0.30 -0.17 0.12 0.00 3.14 0.00 0.00 58.73 62.12 3fly h TYR 258 Cb 0.05 -0.22 -0.08 0.00 1.54 0.00 0.00 36.73 38.02 3fly h TYR 258 CO 0.01 0.87 0.43 0.82 -1.64 0.00 0.00 178.16 178.65 3fly h ILE 259 N 0.62 0.81 0.00 1.81 1.08 -1.10 -1.42 117.51 119.30 3fly h ILE 259 Ca 0.12 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3fly h ILE 259 Cb 0.55 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 3fly h ILE 259 CO 0.03 0.12 0.00 0.00 -0.69 0.00 0.00 178.15 177.61 3fly n GLN 260 N -4.83 0.16 0.15 2.37 6.02 -1.14 -2.11 117.38 118.01 3fly n GLN 260 Ca 0.15 0.38 0.13 0.00 -0.01 0.00 0.00 57.00 57.64 3fly n GLN 260 Cb 0.35 -1.80 0.36 0.00 1.02 0.00 0.00 30.24 30.17 3fly n GLN 260 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3fly h SER 261 N 0.00 0.00 -3.51 1.08 4.64 -1.29 -3.45 113.55 111.02 3fly h SER 261 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3fly h SER 261 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 3fly h SER 261 CO 0.00 0.00 0.22 -0.76 -0.87 0.00 0.00 176.83 175.42 3fly s LEU 262 N -5.10 4.51 0.22 5.97 1.43 -0.90 -5.01 118.68 119.81 3fly s LEU 262 Ca 0.08 1.61 -0.32 0.00 -1.03 0.00 0.00 54.13 54.48 3fly s LEU 262 Cb 0.10 -3.36 -0.12 0.00 0.03 0.00 0.00 46.19 42.84 3fly s LEU 262 CO 0.59 0.06 1.68 0.41 0.23 0.00 0.00 176.35 179.32 3fly n THR 263 N 2.39 0.20 -2.09 5.49 -1.04 -1.26 -4.92 114.28 113.04 3fly n THR 263 Ca -0.02 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.05 61.54 3fly n THR 263 Cb 0.49 -1.92 -0.01 0.00 -1.82 0.00 0.00 70.33 67.07 3fly n THR 263 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3fly s GLN 264 N 0.82 4.08 -0.01 -2.82 -0.21 -1.26 -4.94 119.66 115.33 3fly s GLN 264 Ca 0.73 2.15 0.02 0.00 0.02 0.00 0.00 55.36 58.28 3fly s GLN 264 Cb -0.53 -2.84 -0.00 0.00 1.00 0.00 0.00 33.01 30.64 3fly s GLN 264 CO 0.36 -0.39 -0.06 -1.64 -2.12 0.00 0.00 175.29 171.44 3fly s MET 265 N -2.12 0.51 0.58 2.91 -1.94 -1.26 -4.99 119.30 112.98 3fly s MET 265 Ca 0.55 -0.21 -0.14 0.00 -1.71 0.00 0.00 55.69 54.18 3fly s MET 265 Cb -0.38 -0.50 -0.05 0.00 2.01 0.00 0.00 34.83 35.91 3fly s MET 265 CO 0.49 0.11 1.02 -1.25 -0.01 0.00 0.00 175.02 175.38 3fly s PRO 266 N -0.06 3.65 0.32 2.03 0.04 -1.26 -1.72 135.00 137.99 3fly s PRO 266 Ca 0.01 0.93 -0.29 0.00 0.04 0.00 0.00 61.00 61.69 3fly s PRO 266 Cb -0.03 -2.09 -0.12 0.00 0.04 0.00 0.00 34.50 32.30 3fly s PRO 266 CO -0.00 -0.53 1.49 1.17 0.04 0.00 0.00 177.00 179.17 3fly n LYS 267 N -2.16 2.51 -1.68 4.56 4.81 -1.26 -4.19 118.16 120.75 3fly n LYS 267 Ca 0.07 0.89 -0.30 0.00 -0.87 0.00 0.00 58.31 58.09 3fly n LYS 267 Cb 0.54 -2.60 0.06 0.00 0.02 0.00 0.00 35.03 33.04 3fly n LYS 267 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3fly s MET 268 N -1.22 2.71 -0.47 1.64 -1.94 0.13 -4.91 119.30 115.25 3fly s MET 268 Ca 0.60 0.70 -0.28 0.00 -1.71 0.00 0.00 55.69 55.00 3fly s MET 268 Cb -0.52 -1.98 0.03 0.00 2.01 0.00 0.00 34.83 34.36 3fly s MET 268 CO 0.56 -1.19 1.10 1.21 -0.01 0.00 0.00 175.02 176.68 3fly s ASN 269 N -4.02 6.62 0.45 3.03 3.84 -1.26 -4.93 114.94 118.68 3fly s ASN 269 Ca 0.59 0.43 0.14 0.00 0.21 0.00 0.00 52.86 54.23 3fly s ASN 269 Cb -0.13 -2.53 1.01 0.00 -0.55 0.00 0.00 41.25 39.05 3fly s ASN 269 CO 0.54 -1.20 2.01 -0.26 -2.79 0.00 0.00 177.10 175.39 3fly h PHE 270 N 9.15 0.02 0.00 0.43 -1.00 -1.95 -1.30 116.94 122.30 3fly h PHE 270 Ca -0.23 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.52 3fly h PHE 270 Cb 1.06 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.61 3fly h PHE 270 CO 0.95 0.18 -0.15 0.00 -1.61 0.00 0.00 178.31 177.67 3fly h ALA 271 N 1.83 1.63 0.00 2.45 0.00 -1.91 0.64 119.26 123.89 3fly h ALA 271 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3fly h ALA 271 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3fly h ALA 271 CO 0.02 0.19 -0.56 -0.91 0.00 0.00 0.00 179.25 177.99 3fly h ASN 272 N 0.00 0.00 0.12 0.00 -0.26 -1.66 -3.31 115.58 110.46 3fly h ASN 272 Ca -0.00 -0.02 -0.23 0.00 -0.56 0.00 0.00 56.30 55.49 3fly h ASN 272 Cb 0.29 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.56 3fly h ASN 272 CO 0.02 0.01 -1.13 0.58 -1.06 0.00 0.00 177.43 175.85 3fly h VAL 273 N 0.00 1.24 -2.48 2.81 2.07 -0.96 -3.39 116.25 115.54 3fly h VAL 273 Ca 0.00 -2.45 -0.74 0.00 0.82 0.00 0.00 66.70 64.32 3fly h VAL 273 Cb 0.97 2.92 -0.32 0.00 -1.52 0.00 0.00 31.29 33.34 3fly h VAL 273 CO 0.00 0.69 0.44 0.49 0.02 0.00 0.00 177.57 179.21 3fly n PHE 274 N -4.04 2.91 -1.69 1.57 3.01 0.15 -5.04 117.46 114.34 3fly n PHE 274 Ca -0.20 -3.03 -0.44 0.00 1.01 0.00 0.00 57.45 54.78 3fly n PHE 274 Cb 0.85 -1.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.28 3fly n PHE 274 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3fly n ILE 275 N 0.54 0.18 -0.01 4.37 5.41 -1.25 -2.28 119.36 126.32 3fly n ILE 275 Ca 0.34 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 64.06 3fly n ILE 275 Cb 0.33 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 3fly n ILE 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3fly n GLY 276 N 3.91 1.57 3.78 7.39 0.00 -1.26 -5.03 105.19 115.55 3fly n GLY 276 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3fly n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fly s ALA 277 N -2.54 2.89 -0.24 4.61 0.00 -0.97 -4.94 121.76 120.58 3fly s ALA 277 Ca 0.00 0.77 -0.42 0.00 0.00 0.00 0.00 51.96 52.32 3fly s ALA 277 Cb 0.00 -3.32 -0.18 0.00 0.00 0.00 0.00 23.12 19.62 3fly s ALA 277 CO 0.00 -0.51 1.52 -1.71 0.00 0.00 0.00 175.76 175.06 3fly n ASN 278 N -0.75 1.50 -0.12 0.00 2.85 -1.26 -4.82 115.26 112.65 3fly n ASN 278 Ca 0.09 1.13 0.22 0.00 -0.11 0.00 0.00 54.58 55.91 3fly n ASN 278 Cb 0.50 -1.03 0.66 0.00 1.24 0.00 0.00 39.78 41.15 3fly n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3fly h PRO 279 N 5.37 0.10 -0.18 1.20 0.11 -1.97 0.07 132.00 136.70 3fly h PRO 279 Ca -0.47 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 3fly h PRO 279 Cb 1.36 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 3fly h PRO 279 CO 0.88 0.07 -0.45 -0.07 -0.21 0.00 0.00 178.00 178.22 3fly h LEU 280 N 0.11 0.48 -0.41 2.35 3.38 -1.99 -0.79 115.31 118.44 3fly h LEU 280 Ca 0.36 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3fly h LEU 280 Cb 1.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3fly h LEU 280 CO -0.04 0.87 0.01 0.00 0.09 0.00 0.00 178.44 179.37 3fly h ALA 281 N 1.15 0.55 -0.44 1.53 0.00 -1.38 -1.88 119.26 118.79 3fly h ALA 281 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3fly h ALA 281 Cb 0.93 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3fly h ALA 281 CO 0.08 0.32 0.29 0.28 0.00 0.00 0.00 179.25 180.21 3fly h VAL 282 N 0.55 1.12 -0.52 0.00 2.07 -1.14 -0.94 116.25 117.38 3fly h VAL 282 Ca 0.12 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.43 3fly h VAL 282 Cb 0.46 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3fly h VAL 282 CO 0.02 0.12 0.32 -0.78 0.02 0.00 0.00 177.57 177.26 3fly h ASP 283 N 0.59 0.52 -0.33 0.57 3.58 -1.06 -1.58 116.42 118.71 3fly h ASP 283 Ca 0.16 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 3fly h ASP 283 Cb -0.06 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 3fly h ASP 283 CO -0.03 0.37 0.06 0.25 -2.88 0.00 0.00 179.24 177.00 3fly h LEU 284 N 0.63 0.52 -0.81 2.28 5.85 -1.05 -2.68 115.31 120.04 3fly h LEU 284 Ca 0.21 -0.25 0.11 0.00 0.84 0.00 0.00 57.88 58.79 3fly h LEU 284 Cb 0.01 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 40.82 3fly h LEU 284 CO -0.09 0.64 0.44 -0.07 -0.34 0.00 0.00 178.44 179.02 3fly h LEU 285 N 0.38 0.58 -1.78 2.25 3.38 -0.95 -0.63 115.31 118.54 3fly h LEU 285 Ca 0.10 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3fly h LEU 285 Cb 0.34 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3fly h LEU 285 CO 0.01 0.30 -0.05 -0.33 0.09 0.00 0.00 178.44 178.45 3fly h GLU 286 N 0.69 0.07 0.00 1.13 5.08 -1.04 0.49 114.58 121.00 3fly h GLU 286 Ca 0.41 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.71 3fly h GLU 286 Cb 0.48 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3fly h GLU 286 CO -0.30 0.13 -0.86 0.87 -1.00 0.00 0.00 179.01 177.85 3fly h LYS 287 N 0.07 0.00 0.16 2.33 1.57 -0.86 -3.36 116.57 116.48 3fly h LYS 287 Ca 0.02 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.44 3fly h LYS 287 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3fly h LYS 287 CO 0.01 0.14 -1.84 0.52 -0.57 0.00 0.00 179.45 177.71 3fly h MET 288 N 0.00 0.33 -2.41 3.15 2.86 -0.81 -1.19 114.93 116.86 3fly h MET 288 Ca -0.04 -0.56 -0.73 0.00 -2.06 0.00 0.00 59.70 56.31 3fly h MET 288 Cb 1.20 0.21 -0.17 0.00 0.06 0.00 0.00 31.60 32.89 3fly h MET 288 CO 0.02 1.27 1.74 1.28 1.06 0.00 0.00 176.91 182.28 3fly n LEU 289 N -3.57 7.66 -4.70 1.22 4.77 0.13 -4.31 117.00 118.19 3fly n LEU 289 Ca -0.28 -4.91 -0.35 0.00 -0.03 0.00 0.00 56.01 50.44 3fly n LEU 289 Cb 1.05 -1.28 -0.09 0.00 -2.33 0.00 0.00 43.42 40.77 3fly n LEU 289 CO 0.47 2.00 -0.23 -0.69 -1.33 0.00 0.00 177.39 177.62 3fly s VAL 290 N -2.30 5.01 0.12 4.08 1.01 -1.26 -4.88 120.40 122.18 3fly s VAL 290 Ca 0.51 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.35 3fly s VAL 290 Cb 0.22 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3fly s VAL 290 CO -0.14 0.50 1.69 0.25 0.00 0.00 0.00 175.10 177.40 3fly h LEU 291 N 6.27 0.41 -8.82 3.92 5.85 -1.91 -3.39 115.31 117.64 3fly h LEU 291 Ca -0.42 -0.13 -0.57 0.00 0.84 0.00 0.00 57.88 57.61 3fly h LEU 291 Cb 1.18 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 3fly h LEU 291 CO 0.68 0.42 1.05 -0.62 -0.34 0.00 0.00 178.44 179.64 3fly s ASP 292 N -5.68 6.41 0.38 1.25 3.68 -1.26 -4.90 116.67 116.55 3fly s ASP 292 Ca -0.13 0.89 0.05 0.00 2.13 0.00 0.00 52.55 55.49 3fly s ASP 292 Cb 0.09 -2.54 0.74 0.00 -1.45 0.00 0.00 42.92 39.76 3fly s ASP 292 CO 0.73 -1.36 2.01 0.77 0.13 0.00 0.00 175.17 177.44 3fly h SER 293 N 10.40 0.55 -0.45 -0.34 4.64 -1.98 -1.39 113.55 124.97 3fly h SER 293 Ca -0.27 -0.03 0.13 0.00 -0.47 0.00 0.00 61.79 61.15 3fly h SER 293 Cb 1.10 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 3fly h SER 293 CO 1.08 0.44 0.45 0.44 -0.87 0.00 0.00 176.83 178.37 3fly h ASP 294 N 0.63 0.00 -0.01 4.97 3.45 -1.94 -2.49 116.42 121.03 3fly h ASP 294 Ca 0.16 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.62 3fly h ASP 294 Cb 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 3fly h ASP 294 CO -0.03 0.00 -0.31 0.29 -1.57 0.00 0.00 179.24 177.62 3fly n LYS 295 N -3.81 1.64 -2.00 3.56 5.02 -0.53 -4.98 118.16 117.07 3fly n LYS 295 Ca 0.08 -0.87 -0.37 0.00 -2.02 0.00 0.00 58.31 55.13 3fly n LYS 295 Cb 0.64 -1.28 0.02 0.00 -0.02 0.00 0.00 35.03 34.39 3fly n LYS 295 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3fly s ARG 296 N -1.87 3.32 0.44 1.97 0.52 -0.94 -4.98 118.95 117.41 3fly s ARG 296 Ca 0.14 1.99 -0.25 0.00 -0.52 0.00 0.00 55.73 57.09 3fly s ARG 296 Cb 0.13 -2.24 -0.08 0.00 0.52 0.00 0.00 34.95 33.28 3fly s ARG 296 CO 0.39 -0.97 1.36 -1.50 0.02 0.00 0.00 175.30 174.60 3fly s ILE 297 N -1.45 2.34 0.67 1.52 2.07 -0.45 -5.03 121.20 120.88 3fly s ILE 297 Ca 0.70 0.30 -0.05 0.00 -1.41 0.00 0.00 60.65 60.18 3fly s ILE 297 Cb -0.34 -3.17 0.05 0.00 0.13 0.00 0.00 42.46 39.13 3fly s ILE 297 CO 0.40 0.04 0.97 0.42 -1.91 0.00 0.00 174.94 174.85 3fly s THR 298 N -1.25 2.47 0.10 4.00 -4.23 -1.26 -4.90 115.64 110.56 3fly s THR 298 Ca 0.61 -0.30 -0.19 0.00 -1.18 0.00 0.00 61.69 60.62 3fly s THR 298 Cb -0.40 -3.05 -0.07 0.00 1.34 0.00 0.00 72.50 70.32 3fly s THR 298 CO 0.51 -0.05 1.61 0.00 -0.54 0.00 0.00 174.62 176.16 3fly h ALA 299 N -0.46 0.33 -0.73 3.99 0.00 -1.93 -0.62 119.26 119.84 3fly h ALA 299 Ca -0.44 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.39 3fly h ALA 299 Cb 1.31 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3fly h ALA 299 CO 0.59 -0.04 0.42 0.00 0.00 0.00 0.00 179.25 180.22 3fly h ALA 300 N 0.91 0.99 -0.40 0.00 0.00 -1.93 -1.77 119.26 117.05 3fly h ALA 300 Ca 0.08 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3fly h ALA 300 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3fly h ALA 300 CO -0.00 0.10 -0.13 1.96 0.00 0.00 0.00 179.25 181.19 3fly h GLN 301 N 0.76 0.80 -0.55 0.00 4.20 -1.92 -3.19 115.11 115.22 3fly h GLN 301 Ca 0.33 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3fly h GLN 301 Cb 0.21 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 3fly h GLN 301 CO -0.19 0.94 0.22 0.00 -0.67 0.00 0.00 178.83 179.13 3fly h ALA 302 N 0.84 1.36 -0.53 3.87 0.00 -0.72 -2.21 119.26 121.87 3fly h ALA 302 Ca 0.10 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3fly h ALA 302 Cb 0.66 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3fly h ALA 302 CO 0.05 0.48 0.35 -0.07 0.00 0.00 0.00 179.25 180.06 3fly h LEU 303 N 0.78 0.43 -0.56 0.00 3.38 -1.32 -1.31 115.31 116.72 3fly h LEU 303 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3fly h LEU 303 Cb 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3fly h LEU 303 CO -0.02 0.28 -0.01 0.00 0.09 0.00 0.00 178.44 178.79 3fly n ALA 304 N -2.50 2.63 -1.77 1.53 0.00 -0.84 -4.73 120.51 114.84 3fly n ALA 304 Ca 0.07 -0.34 -0.38 0.00 0.00 0.00 0.00 53.44 52.79 3fly n ALA 304 Cb 0.23 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 3fly n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fly s HIS 305 N -2.02 2.96 0.62 0.00 5.04 -0.49 -4.92 115.29 116.47 3fly s HIS 305 Ca 0.41 1.53 0.38 0.00 -1.54 0.00 0.00 55.06 55.84 3fly s HIS 305 Cb 0.21 -3.43 2.13 0.00 0.04 0.00 0.00 32.58 31.54 3fly s HIS 305 CO 0.36 -1.51 2.31 0.00 -2.34 0.00 0.00 174.74 173.56 3fly h ALA 306 N 2.42 1.24 -0.28 1.58 0.00 -1.90 -1.54 119.26 120.78 3fly h ALA 306 Ca -0.49 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.50 3fly h ALA 306 Cb 1.24 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3fly h ALA 306 CO 0.62 0.00 0.20 -0.92 0.00 0.00 0.00 179.25 179.15 3fly h TYR 307 N 0.00 0.00 -0.54 0.00 3.20 -1.91 -2.25 116.97 115.46 3fly h TYR 307 Ca -0.00 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 3fly h TYR 307 Cb 0.02 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 3fly h TYR 307 CO 0.00 0.00 0.08 1.19 -1.64 0.00 0.00 178.16 177.79 3fly n PHE 308 N -4.42 1.89 -0.33 -3.82 3.01 -0.58 -4.74 117.46 108.48 3fly n PHE 308 Ca 0.04 -0.94 0.16 0.00 1.01 0.00 0.00 57.45 57.72 3fly n PHE 308 Cb 0.36 -0.52 0.35 0.00 -0.01 0.00 0.00 39.48 39.67 3fly n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fly h ALA 309 N 2.98 1.63 0.00 4.37 0.00 -1.53 0.11 119.26 126.83 3fly h ALA 309 Ca 0.09 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3fly h ALA 309 Cb 1.95 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.83 3fly h ALA 309 CO 0.50 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.43 3fly n GLN 310 N -4.97 0.27 -0.05 0.00 10.64 -1.26 -3.99 117.38 118.02 3fly n GLN 310 Ca 0.25 0.23 -0.05 0.00 -1.83 0.00 0.00 57.00 55.60 3fly n GLN 310 Cb 0.72 -1.82 -0.08 0.00 -0.86 0.00 0.00 30.24 28.20 3fly n GLN 310 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3fly n TYR 311 N -2.28 0.00 -1.71 2.61 4.02 -0.36 -5.03 117.16 114.41 3fly n TYR 311 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.52 3fly n TYR 311 Cb 0.43 -0.50 -0.03 0.00 -0.02 0.00 0.00 39.34 39.21 3fly n TYR 311 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 3fly n HIS 312 N -2.36 2.69 -3.45 -0.72 -0.00 0.26 -4.99 115.22 106.65 3fly n HIS 312 Ca -0.16 -0.04 -0.18 0.00 0.46 0.00 0.00 57.72 57.80 3fly n HIS 312 Cb 0.81 -2.70 -0.11 0.00 -0.12 0.00 0.00 29.99 27.87 3fly n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3fly s ASP 313 N 1.84 1.52 0.34 0.26 3.68 -1.26 -4.99 116.67 118.06 3fly s ASP 313 Ca 0.78 -0.44 0.26 0.00 2.13 0.00 0.00 52.55 55.28 3fly s ASP 313 Cb -0.50 0.44 1.20 0.00 -1.45 0.00 0.00 42.92 42.62 3fly s ASP 313 CO 0.34 -0.35 1.78 -0.65 0.13 0.00 0.00 175.17 176.42 3fly h PRO 314 N 8.29 0.00 -0.04 4.34 0.11 -1.96 -0.06 132.00 142.67 3fly h PRO 314 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3fly h PRO 314 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3fly h PRO 314 CO 0.31 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.85 3fly n ASP 315 N -2.40 1.98 -2.58 -2.05 10.43 -1.26 -4.19 116.55 116.48 3fly n ASP 315 Ca 0.00 -1.67 -0.08 0.00 2.57 0.00 0.00 54.79 55.62 3fly n ASP 315 Cb 0.16 -0.02 0.04 0.00 1.84 0.00 0.00 41.12 43.14 3fly n ASP 315 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3fly n ASP 316 N 0.55 2.64 -3.31 -2.24 2.03 -0.04 -4.89 116.55 111.28 3fly n ASP 316 Ca 0.17 -2.59 -0.25 0.00 0.52 0.00 0.00 54.79 52.64 3fly n ASP 316 Cb 0.43 -0.44 -0.08 0.00 -0.72 0.00 0.00 41.12 40.31 3fly n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3fly n GLU 317 N -0.62 0.82 -1.55 -0.67 1.02 -1.19 -4.87 120.64 113.59 3fly n GLU 317 Ca 0.19 -3.44 -0.32 0.00 -0.02 0.00 0.00 57.16 53.57 3fly n GLU 317 Cb 0.85 -1.52 0.07 0.00 -0.02 0.00 0.00 31.44 30.82 3fly n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3fly s PRO 318 N -0.98 2.52 0.36 3.49 0.04 -1.26 -4.96 135.00 134.21 3fly s PRO 318 Ca 0.34 1.36 0.07 0.00 0.04 0.00 0.00 61.00 62.81 3fly s PRO 318 Cb 0.12 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 3fly s PRO 318 CO -0.13 -1.46 0.40 0.14 0.04 0.00 0.00 177.00 175.99 3fly s VAL 319 N -2.49 3.43 0.34 -0.36 -7.23 -1.26 -4.13 120.40 108.70 3fly s VAL 319 Ca 0.66 -1.21 -0.06 0.00 -1.81 0.00 0.00 61.98 59.56 3fly s VAL 319 Cb -0.20 -3.18 -0.05 0.00 0.56 0.00 0.00 36.38 33.51 3fly s VAL 319 CO 0.47 -0.11 0.63 0.00 -0.31 0.00 0.00 175.10 175.78 3fly s ALA 320 N -2.31 3.54 0.76 1.32 0.00 -1.26 -5.02 121.76 118.79 3fly s ALA 320 Ca 0.45 -0.50 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 3fly s ALA 320 Cb -0.07 -2.41 0.06 0.00 0.00 0.00 0.00 23.12 20.70 3fly s ALA 320 CO 0.29 0.09 1.22 -0.51 0.00 0.00 0.00 175.76 176.85 3fly s ASP 321 N -3.35 3.91 0.37 0.00 -0.00 -1.26 -4.76 116.67 111.58 3fly s ASP 321 Ca 0.46 2.41 -0.26 0.00 -0.00 0.00 0.00 52.55 55.15 3fly s ASP 321 Cb -0.10 -2.59 -0.11 0.00 -0.00 0.00 0.00 42.92 40.11 3fly s ASP 321 CO 0.32 -2.46 1.18 -2.65 -0.00 0.00 0.00 175.17 171.57 3fly n PRO 322 N -2.92 1.79 -4.07 8.23 -0.02 -1.26 -4.74 135.00 132.01 3fly n PRO 322 Ca 0.14 0.63 -0.32 0.00 -2.02 0.00 0.00 63.50 61.93 3fly n PRO 322 Cb 0.50 -2.21 -0.15 0.00 -0.02 0.00 0.00 33.50 31.62 3fly n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3fly s TYR 323 N -1.16 3.19 -0.53 6.00 5.04 -1.26 -5.08 117.35 123.55 3fly s TYR 323 Ca 0.59 -2.18 -0.27 0.00 -2.44 0.00 0.00 57.07 52.77 3fly s TYR 323 Cb -0.57 -1.94 0.03 0.00 0.35 0.00 0.00 41.96 39.83 3fly s TYR 323 CO 0.60 -0.86 1.08 0.34 -1.34 0.00 0.00 175.55 175.36 3fly s ASP 324 N 1.14 6.48 -0.25 4.32 -1.08 -1.26 -4.87 116.67 121.15 3fly s ASP 324 Ca -0.06 0.10 0.12 0.00 -0.52 0.00 0.00 52.55 52.18 3fly s ASP 324 Cb -0.19 -2.51 0.50 0.00 -1.46 0.00 0.00 42.92 39.26 3fly s ASP 324 CO -0.06 -1.29 1.43 0.00 0.52 0.00 0.00 175.17 175.77 3fly n GLN 325 N 7.86 2.11 0.25 4.34 10.64 -1.26 -4.65 117.38 136.67 3fly n GLN 325 Ca 0.08 -3.05 0.17 0.00 -1.83 0.00 0.00 57.00 52.36 3fly n GLN 325 Cb 0.49 -1.81 0.90 0.00 -0.86 0.00 0.00 30.24 28.96 3fly n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3fly h SER 326 N 1.16 0.00 -0.08 2.61 4.64 -2.03 -0.98 113.55 118.88 3fly h SER 326 Ca 0.15 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.49 3fly h SER 326 Cb 1.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.65 3fly h SER 326 CO 0.32 0.00 0.08 2.19 -0.87 0.00 0.00 176.83 178.55 3fly h PHE 327 N 0.00 0.00 0.00 4.77 -5.15 -1.96 -2.64 116.94 111.95 3fly h PHE 327 Ca 0.05 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.80 3fly h PHE 327 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.48 3fly h PHE 327 CO 0.00 0.00 -0.10 0.93 -2.00 0.00 0.00 178.31 177.14 3fly h GLU 328 N 0.00 0.00 -0.63 6.09 4.39 -1.56 -1.36 114.58 121.51 3fly h GLU 328 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3fly h GLU 328 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3fly h GLU 328 CO -0.00 0.10 0.00 -1.13 -1.16 0.00 0.00 179.01 176.82 3fly n SER 329 N -4.17 3.77 -4.82 1.42 3.41 -1.00 -4.95 113.62 107.29 3fly n SER 329 Ca -0.03 -2.00 -0.37 0.00 -0.26 0.00 0.00 58.87 56.21 3fly n SER 329 Cb 0.18 -0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 63.66 3fly n SER 329 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3fly s ARG 330 N -1.17 3.89 -0.30 4.33 3.52 -0.51 -5.07 118.95 123.65 3fly s ARG 330 Ca 0.46 0.21 -0.09 0.00 -0.13 0.00 0.00 55.73 56.17 3fly s ARG 330 Cb 0.25 -3.27 -0.02 0.00 -1.56 0.00 0.00 34.95 30.35 3fly s ARG 330 CO 0.33 0.59 0.14 -0.51 -0.81 0.00 0.00 175.30 175.04 3fly s ASP 331 N -0.66 5.52 0.17 -2.12 1.01 -1.26 -5.03 116.67 114.30 3fly s ASP 331 Ca 0.20 -0.42 0.03 0.00 0.71 0.00 0.00 52.55 53.08 3fly s ASP 331 Cb -0.15 -2.00 -0.05 0.00 1.01 0.00 0.00 42.92 41.74 3fly s ASP 331 CO 0.09 -0.15 -0.05 -0.76 0.21 0.00 0.00 175.17 174.51 3fly s LEU 332 N 1.63 2.35 0.67 1.23 1.43 -1.26 -5.15 118.68 119.58 3fly s LEU 332 Ca 0.05 -1.10 -0.10 0.00 -1.03 0.00 0.00 54.13 51.95 3fly s LEU 332 Cb -0.17 -0.24 0.01 0.00 0.03 0.00 0.00 46.19 45.82 3fly s LEU 332 CO 0.06 -0.44 1.04 -0.76 0.23 0.00 0.00 176.35 176.49 3fly s LEU 333 N -3.20 3.01 0.15 1.79 1.43 -1.26 -4.88 118.68 115.72 3fly s LEU 333 Ca 0.21 1.05 -0.22 0.00 -1.03 0.00 0.00 54.13 54.15 3fly s LEU 333 Cb 0.04 -3.87 0.03 0.00 0.03 0.00 0.00 46.19 42.42 3fly s LEU 333 CO 0.03 -1.24 1.64 0.40 0.23 0.00 0.00 176.35 177.41 3fly h ILE 334 N -0.51 0.45 0.00 -0.59 2.04 -1.93 -1.73 117.51 115.23 3fly h ILE 334 Ca -0.45 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 3fly h ILE 334 Cb 1.25 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3fly h ILE 334 CO 0.63 0.00 -0.14 0.44 0.00 0.00 0.00 178.15 179.08 3fly h ASP 335 N -0.21 0.00 -0.13 1.72 3.45 -1.95 0.12 116.42 119.42 3fly h ASP 335 Ca 0.14 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.54 3fly h ASP 335 Cb 0.42 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.18 3fly h ASP 335 CO -0.37 0.14 -0.14 -0.33 -1.57 0.00 0.00 179.24 176.97 3fly h GLU 336 N 0.00 0.33 -0.72 3.56 5.08 -1.72 -0.09 114.58 121.02 3fly h GLU 336 Ca -0.00 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3fly h GLU 336 Cb 0.26 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3fly h GLU 336 CO 0.02 0.73 0.42 -1.49 -1.00 0.00 0.00 179.01 177.69 3fly h TRP 337 N -0.06 0.94 -0.42 4.33 -0.00 -0.93 -1.79 115.95 118.02 3fly h TRP 337 Ca 0.02 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.88 3fly h TRP 337 Cb 0.68 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 29.51 3fly h TRP 337 CO 0.09 0.64 0.15 -0.22 -0.00 0.00 0.00 178.44 179.09 3fly h LYS 338 N 0.99 0.64 -0.57 0.49 3.64 -0.86 -0.72 116.57 120.18 3fly h LYS 338 Ca 0.26 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3fly h LYS 338 Cb -0.02 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3fly h LYS 338 CO -0.05 0.61 0.15 1.03 -2.27 0.00 0.00 179.45 178.93 3fly h SER 339 N 0.53 0.86 -0.59 4.20 0.87 -0.81 0.12 113.55 118.73 3fly h SER 339 Ca 0.14 -0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.48 3fly h SER 339 Cb 0.23 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3fly h SER 339 CO -0.01 0.86 0.38 -0.07 -0.53 0.00 0.00 176.83 177.46 3fly h LEU 340 N 0.81 0.65 -0.31 2.23 3.38 -1.20 -1.00 115.31 119.87 3fly h LEU 340 Ca 0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3fly h LEU 340 Cb 0.33 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3fly h LEU 340 CO -0.00 0.47 0.18 0.74 0.09 0.00 0.00 178.44 179.92 3fly h THR 341 N 0.77 1.11 -0.43 0.22 2.02 -0.88 -2.45 112.91 113.28 3fly h THR 341 Ca 0.22 -0.28 0.05 0.00 0.77 0.00 0.00 66.41 67.18 3fly h THR 341 Cb -0.06 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 3fly h THR 341 CO -0.06 0.11 0.15 0.22 0.37 0.00 0.00 175.52 176.31 3fly h TYR 342 N 0.39 0.26 -0.98 3.16 3.20 -0.64 -0.92 116.97 121.44 3fly h TYR 342 Ca 0.11 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.09 3fly h TYR 342 Cb 0.03 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.17 3fly h TYR 342 CO -0.04 0.09 0.63 -0.44 -1.64 0.00 0.00 178.16 176.76 3fly h ASP 343 N 0.31 0.96 -0.10 -2.11 3.32 -1.03 -1.50 116.42 116.27 3fly h ASP 343 Ca 0.20 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 3fly h ASP 343 Cb 0.20 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3fly h ASP 343 CO -0.21 0.58 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.22 3fly h GLU 344 N 1.07 0.60 0.04 3.56 4.39 -0.80 -1.51 114.58 121.93 3fly h GLU 344 Ca 0.45 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 3fly h GLU 344 Cb 0.31 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3fly h GLU 344 CO -0.20 0.86 -0.02 0.28 -1.16 0.00 0.00 179.01 178.77 3fly h VAL 345 N 0.51 1.12 -0.48 3.13 2.07 -0.65 -3.09 116.25 118.86 3fly h VAL 345 Ca 0.06 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 3fly h VAL 345 Cb 0.83 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3fly h VAL 345 CO 0.07 0.13 0.11 0.40 0.02 0.00 0.00 177.57 178.31 3fly h ILE 346 N -0.29 1.21 -0.00 4.57 1.08 -1.22 -2.89 117.51 119.96 3fly h ILE 346 Ca -0.01 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 3fly h ILE 346 Cb 0.26 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 3fly h ILE 346 CO 0.01 0.28 -0.06 -1.54 -0.69 0.00 0.00 178.15 176.15 3fly n SER 347 N -4.29 0.50 -4.74 1.72 3.41 -0.57 -4.92 113.62 104.72 3fly n SER 347 Ca 0.03 -0.80 -0.42 0.00 -0.26 0.00 0.00 58.87 57.43 3fly n SER 347 Cb 0.21 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 3fly n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3fly s PHE 348 N -2.29 2.80 -0.18 7.33 5.36 -1.09 -5.00 117.98 124.90 3fly s PHE 348 Ca 0.35 0.58 -0.00 0.00 -0.96 0.00 0.00 56.93 56.89 3fly s PHE 348 Cb 0.21 -4.11 0.01 0.00 -0.34 0.00 0.00 43.02 38.78 3fly s PHE 348 CO 0.43 -3.96 -0.15 0.08 -1.46 0.00 0.00 175.22 170.16 3fly s VAL 349 N 0.50 2.50 0.63 3.12 1.01 -1.26 -5.08 120.40 121.81 3fly s VAL 349 Ca 0.68 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 3fly s VAL 349 Cb -0.49 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 3fly s VAL 349 CO 0.41 0.51 1.28 -2.16 0.00 0.00 0.00 175.10 175.14 3fly s PRO 350 N 1.23 2.70 0.57 2.72 0.04 -1.26 -5.00 135.00 136.01 3fly s PRO 350 Ca 0.03 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.93 3fly s PRO 350 Cb -0.14 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3fly s PRO 350 CO -0.08 -1.47 1.07 -1.25 0.04 0.00 0.00 177.00 175.31 3fly s PRO 351 N -3.32 3.35 0.00 0.56 0.04 -1.26 -5.16 135.00 129.21 3fly s PRO 351 Ca 0.80 1.30 0.00 0.00 0.04 0.00 0.00 61.00 63.15 3fly s PRO 351 Cb -0.36 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3fly s PRO 351 CO 0.39 -0.80 0.38 -2.30 0.04 0.00 0.00 177.00 174.71