#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5l s ASN 3 N 0.00 0.07 0.00 4.04 0.01 -1.26 -5.15 114.94 112.65 1a5l s ASN 3 Ca 0.00 -0.23 -0.06 0.00 -0.71 0.00 0.00 52.86 51.87 1a5l s ASN 3 Cb 0.00 0.17 -0.00 0.00 0.41 0.00 0.00 41.25 41.83 1a5l s ASN 3 CO 0.00 -0.29 0.11 -0.51 -1.51 0.00 0.00 177.10 174.90 1a5l s ILE 4 N -1.16 0.08 0.61 0.60 2.07 -1.26 -5.15 121.20 116.99 1a5l s ILE 4 Ca -0.13 -0.66 -0.13 0.00 -1.41 0.00 0.00 60.65 58.32 1a5l s ILE 4 Cb -0.07 -0.38 -0.04 0.00 0.13 0.00 0.00 42.46 42.11 1a5l s ILE 4 CO 0.01 -0.36 1.03 -0.94 -1.91 0.00 0.00 174.94 172.77 1a5l s SER 5 N -1.24 6.00 0.34 4.50 1.04 -1.26 -4.89 113.70 118.18 1a5l s SER 5 Ca -0.13 1.60 0.03 0.00 0.48 0.00 0.00 55.95 57.93 1a5l s SER 5 Cb -0.07 -2.50 0.61 0.00 0.10 0.00 0.00 66.02 64.15 1a5l s SER 5 CO 0.01 -1.02 1.93 0.03 0.98 0.00 0.00 173.24 175.17 1a5l h ARG 6 N 0.07 0.67 -0.13 4.02 3.08 -2.01 -0.30 114.38 119.78 1a5l h ARG 6 Ca -0.45 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.47 1a5l h ARG 6 Cb 1.20 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 1a5l h ARG 6 CO 0.59 0.56 -0.04 0.37 -1.07 0.00 0.00 179.97 180.38 1a5l h GLN 7 N 0.67 0.25 -0.70 0.04 5.75 -1.99 -0.45 115.11 118.68 1a5l h GLN 7 Ca 0.16 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1a5l h GLN 7 Cb 0.15 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 1a5l h GLN 7 CO -0.01 0.56 0.32 0.00 -2.65 0.00 0.00 178.83 177.05 1a5l h ALA 8 N 0.68 1.25 -0.29 3.38 0.00 -1.92 -1.63 119.26 120.72 1a5l h ALA 8 Ca 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1a5l h ALA 8 Cb 0.48 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1a5l h ALA 8 CO 0.01 0.57 0.11 -0.92 0.00 0.00 0.00 179.25 179.03 1a5l h TYR 9 N 1.00 0.45 -0.48 0.00 5.03 -0.90 -2.44 116.97 119.63 1a5l h TYR 9 Ca 0.24 -0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.48 1a5l h TYR 9 Cb 0.13 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 1a5l h TYR 9 CO 0.01 0.45 0.18 0.00 -1.32 0.00 0.00 178.16 177.48 1a5l h ALA 10 N 0.95 1.41 0.00 1.82 0.00 -0.53 0.52 119.26 123.42 1a5l h ALA 10 Ca 0.10 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1a5l h ALA 10 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1a5l h ALA 10 CO -0.01 0.44 -0.45 -0.44 0.00 0.00 0.00 179.25 178.80 1a5l h ASP 11 N 0.69 0.00 0.11 0.00 5.19 -1.15 0.19 116.42 121.44 1a5l h ASP 11 Ca 0.16 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.26 1a5l h ASP 11 Cb 0.16 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 1a5l h ASP 11 CO -0.01 0.45 -1.68 -0.03 -3.12 0.00 0.00 179.24 174.84 1a5l h MET 12 N 0.00 0.23 0.00 3.56 4.05 -0.90 -3.41 114.93 118.45 1a5l h MET 12 Ca -0.00 -0.39 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 1a5l h MET 12 Cb 0.87 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 1a5l h MET 12 CO 0.06 1.19 0.00 1.19 0.23 0.00 0.00 176.91 179.57 1a5l n PHE 13 N -3.78 0.00 0.00 1.39 3.72 0.11 -4.98 117.46 113.92 1a5l n PHE 13 Ca -0.29 -0.22 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 1a5l n PHE 13 Cb 0.95 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 1a5l n PHE 13 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a5l n GLY 14 N -0.22 0.45 3.75 1.37 0.00 0.05 -4.36 105.19 106.24 1a5l n GLY 14 Ca 0.00 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 1a5l n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5l s PRO 15 N -2.24 2.49 0.14 1.61 0.04 -1.26 -3.99 135.00 131.80 1a5l s PRO 15 Ca 0.00 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1a5l s PRO 15 Cb 0.00 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 1a5l s PRO 15 CO 0.00 -1.50 0.02 -2.37 0.04 0.00 0.00 177.00 173.18 1a5l n THR 16 N -2.72 0.00 -1.67 1.26 5.66 -1.26 -4.96 114.28 110.58 1a5l n THR 16 Ca 0.11 -0.71 -0.58 0.00 -3.05 0.00 0.00 64.05 59.82 1a5l n THR 16 Cb 0.52 0.18 -0.07 0.00 -1.55 0.00 0.00 70.33 69.41 1a5l n THR 16 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1a5l n VAL 17 N -0.34 0.17 0.00 1.08 0.31 -1.26 -1.33 118.33 116.97 1a5l n VAL 17 Ca -0.05 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1a5l n VAL 17 Cb 0.19 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 1a5l n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a5l n GLY 18 N 3.60 2.47 3.77 2.92 0.00 -1.04 -4.98 105.19 111.93 1a5l n GLY 18 Ca 0.25 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1a5l n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a5l s ASP 19 N 0.47 6.56 0.11 1.61 1.01 -0.44 -4.80 116.67 121.19 1a5l s ASP 19 Ca 0.00 2.36 0.05 0.00 0.71 0.00 0.00 52.55 55.68 1a5l s ASP 19 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1a5l s ASP 19 CO 0.00 -0.65 -0.01 -0.54 0.21 0.00 0.00 175.17 174.18 1a5l s LYS 20 N -2.24 2.48 -0.03 8.23 1.02 -1.26 -2.14 119.74 125.80 1a5l s LYS 20 Ca 0.56 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.66 1a5l s LYS 20 Cb -0.31 -2.49 0.02 0.00 -0.52 0.00 0.00 37.83 34.53 1a5l s LYS 20 CO 0.39 0.52 -0.03 0.08 -0.92 0.00 0.00 175.35 175.40 1a5l s VAL 21 N -1.37 0.35 0.10 3.17 1.01 0.24 -4.95 120.40 118.95 1a5l s VAL 21 Ca 0.26 -0.05 -0.26 0.00 0.00 0.00 0.00 61.98 61.93 1a5l s VAL 21 Cb -0.11 -0.39 -0.06 0.00 0.00 0.00 0.00 36.38 35.81 1a5l s VAL 21 CO 0.18 0.17 0.81 -0.60 0.00 0.00 0.00 175.10 175.66 1a5l s ARG 22 N 0.78 4.57 -0.46 2.72 3.52 -1.26 -0.89 118.95 127.92 1a5l s ARG 22 Ca -0.09 1.18 -0.24 0.00 -0.13 0.00 0.00 55.73 56.45 1a5l s ARG 22 Cb -0.12 -3.34 0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1a5l s ARG 22 CO -0.01 0.35 0.85 -0.51 -0.81 0.00 0.00 175.30 175.17 1a5l s LEU 23 N -0.35 4.16 0.00 -0.88 1.43 -0.83 -4.75 118.68 117.45 1a5l s LEU 23 Ca 0.40 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1a5l s LEU 23 Cb -0.22 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1a5l s LEU 23 CO 0.25 -1.00 0.00 0.00 0.23 0.00 0.00 176.35 175.84 1a5l n ALA 24 N 6.95 0.00 -1.38 4.21 0.00 -0.02 -1.59 120.51 128.68 1a5l n ALA 24 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 1a5l n ALA 24 Cb 0.48 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.11 1a5l n ALA 24 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a5l n ASP 25 N 2.29 3.28 -4.74 0.00 5.75 -1.26 -4.84 116.55 117.03 1a5l n ASP 25 Ca 0.00 -3.72 -0.23 0.00 -0.01 0.00 0.00 54.79 50.83 1a5l n ASP 25 Cb 0.00 -0.73 0.10 0.00 -1.03 0.00 0.00 41.12 39.47 1a5l n ASP 25 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1a5l s THR 26 N -3.38 2.06 -2.62 2.12 -4.23 -0.62 -4.76 115.64 104.20 1a5l s THR 26 Ca 0.51 -0.70 0.26 0.00 -1.18 0.00 0.00 61.69 60.57 1a5l s THR 26 Cb 0.44 -2.36 0.42 0.00 1.34 0.00 0.00 72.50 72.35 1a5l s THR 26 CO 0.04 0.00 1.55 -0.62 -0.54 0.00 0.00 174.62 175.05 1a5l n GLU 27 N -2.73 1.93 -2.58 3.99 -0.58 -1.26 -4.66 120.64 114.75 1a5l n GLU 27 Ca 0.16 -1.36 -0.41 0.00 -0.42 0.00 0.00 57.16 55.13 1a5l n GLU 27 Cb 0.61 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 29.97 1a5l n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1a5l s LEU 28 N -1.91 4.47 -0.03 -4.62 1.43 -1.26 -5.00 118.68 111.76 1a5l s LEU 28 Ca 0.34 1.97 0.04 0.00 -1.03 0.00 0.00 54.13 55.46 1a5l s LEU 28 Cb 0.20 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.82 1a5l s LEU 28 CO 0.31 -0.20 -0.15 0.26 0.23 0.00 0.00 176.35 176.80 1a5l s TRP 29 N 0.03 1.48 0.22 0.29 0.52 -1.26 -1.97 118.94 118.24 1a5l s TRP 29 Ca 0.50 -0.36 0.10 0.00 0.02 0.00 0.00 56.10 56.35 1a5l s TRP 29 Cb -0.27 -0.98 -0.04 0.00 -1.15 0.00 0.00 33.47 31.02 1a5l s TRP 29 CO 0.32 -0.10 -0.09 0.96 0.02 0.00 0.00 176.95 178.06 1a5l s ILE 30 N -0.10 3.13 -0.05 2.03 -4.36 -0.06 -0.64 121.20 121.13 1a5l s ILE 30 Ca 0.00 -1.84 0.02 0.00 -0.26 0.00 0.00 60.65 58.58 1a5l s ILE 30 Cb -0.09 -2.59 0.02 0.00 1.25 0.00 0.00 42.46 41.05 1a5l s ILE 30 CO 0.01 -0.21 -0.08 -0.70 0.24 0.00 0.00 174.94 174.19 1a5l s GLU 31 N -3.12 1.17 -0.06 0.37 2.12 -1.26 -0.59 118.70 117.33 1a5l s GLU 31 Ca 0.27 -0.25 -0.29 0.00 0.36 0.00 0.00 54.97 55.05 1a5l s GLU 31 Cb -0.08 -1.05 -0.07 0.00 0.26 0.00 0.00 34.13 33.19 1a5l s GLU 31 CO 0.16 -0.01 1.91 0.08 -0.54 0.00 0.00 175.26 176.87 1a5l s VAL 32 N 0.69 3.21 0.04 3.70 1.01 -0.91 -4.87 120.40 123.27 1a5l s VAL 32 Ca -0.11 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.16 1a5l s VAL 32 Cb -0.14 -3.19 -0.24 0.00 0.00 0.00 0.00 36.38 32.82 1a5l s VAL 32 CO 0.02 -0.05 0.98 -0.33 0.00 0.00 0.00 175.10 175.72 1a5l h GLU 33 N 11.25 0.09 -3.39 2.72 5.08 -1.55 -2.75 114.58 126.03 1a5l h GLU 33 Ca -0.44 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 57.70 1a5l h GLU 33 Cb 1.22 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 30.38 1a5l h GLU 33 CO 0.95 0.91 -0.14 0.34 -1.00 0.00 0.00 179.01 180.07 1a5l s ASP 34 N -6.65 -0.17 -0.06 1.42 -1.08 -1.25 -4.93 116.67 103.94 1a5l s ASP 34 Ca -0.04 -0.31 -0.02 0.00 -0.52 0.00 0.00 52.55 51.66 1a5l s ASP 34 Cb 0.08 0.43 0.03 0.00 -1.46 0.00 0.00 42.92 42.01 1a5l s ASP 34 CO 0.83 -0.78 0.05 -0.62 0.52 0.00 0.00 175.17 175.17 1a5l s ASP 35 N -2.61 1.40 0.00 -0.34 -1.08 -1.26 -0.83 116.67 111.95 1a5l s ASP 35 Ca 0.01 -0.04 0.22 0.00 -0.52 0.00 0.00 52.55 52.21 1a5l s ASP 35 Cb 0.02 -0.23 1.03 0.00 -1.46 0.00 0.00 42.92 42.28 1a5l s ASP 35 CO -0.09 -0.25 1.70 0.18 0.52 0.00 0.00 175.17 177.22 1a5l n LEU 36 N 5.26 0.81 -4.92 -1.34 4.32 -0.47 -4.92 117.00 115.74 1a5l n LEU 36 Ca -0.04 -0.33 -0.29 0.00 -0.02 0.00 0.00 56.01 55.33 1a5l n LEU 36 Cb 0.50 -0.04 0.14 0.00 -1.62 0.00 0.00 43.42 42.40 1a5l n LEU 36 CO 0.08 0.16 0.84 0.28 -1.22 0.00 0.00 177.39 177.52 1a5l s THR 37 N -1.92 2.00 -0.28 -5.08 -1.32 -1.26 -4.58 115.64 103.21 1a5l s THR 37 Ca 0.32 -0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.83 1a5l s THR 37 Cb 0.16 -3.00 0.07 0.00 -1.51 0.00 0.00 72.50 68.22 1a5l s THR 37 CO 0.26 0.00 -0.06 -0.89 -2.21 0.00 0.00 174.62 171.72 1a5l s THR 38 N -3.74 2.08 -0.33 5.08 2.01 -1.26 -5.07 115.64 114.39 1a5l s THR 38 Ca 0.69 -1.73 -0.41 0.00 0.31 0.00 0.00 61.69 60.54 1a5l s THR 38 Cb -0.07 -2.29 -0.16 0.00 0.01 0.00 0.00 72.50 69.99 1a5l s THR 38 CO 0.51 -0.18 1.81 -1.22 -0.69 0.00 0.00 174.62 174.85 1a5l n TYR 39 N 4.43 1.91 0.00 4.92 4.01 -1.26 -0.60 117.16 130.58 1a5l n TYR 39 Ca -0.09 0.60 0.00 0.00 -0.16 0.00 0.00 57.90 58.25 1a5l n TYR 39 Cb 0.42 -2.43 0.00 0.00 -0.31 0.00 0.00 39.34 37.03 1a5l n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a5l n GLY 40 N 4.68 0.30 0.55 2.72 0.00 -1.26 -4.94 105.19 107.23 1a5l n GLY 40 Ca 0.31 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.40 1a5l n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a5l n GLU 41 N -1.64 2.00 -2.24 1.61 -0.58 0.24 -5.03 120.64 115.00 1a5l n GLU 41 Ca 0.00 -2.81 -0.41 0.00 -0.42 0.00 0.00 57.16 53.52 1a5l n GLU 41 Cb 0.00 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.16 1a5l n GLU 41 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1a5l s GLU 42 N -2.93 4.42 0.14 3.49 8.01 -1.26 -4.86 118.70 125.72 1a5l s GLU 42 Ca 0.38 2.04 -0.26 0.00 0.01 0.00 0.00 54.97 57.14 1a5l s GLU 42 Cb 0.33 -3.17 -0.07 0.00 -4.31 0.00 0.00 34.13 26.90 1a5l s GLU 42 CO 0.04 -0.16 0.79 0.14 0.01 0.00 0.00 175.26 176.08 1a5l s VAL 43 N -0.35 4.43 -0.05 2.63 -7.23 -1.26 -4.89 120.40 113.68 1a5l s VAL 43 Ca 0.53 1.73 -0.07 0.00 -1.81 0.00 0.00 61.98 62.36 1a5l s VAL 43 Cb -0.36 -4.16 0.01 0.00 0.56 0.00 0.00 36.38 32.44 1a5l s VAL 43 CO 0.42 0.48 0.18 -0.75 -0.31 0.00 0.00 175.10 175.11 1a5l s LYS 44 N -0.87 0.29 0.01 4.82 2.20 -1.26 -4.75 119.74 120.17 1a5l s LYS 44 Ca 0.37 0.10 0.01 0.00 -0.36 0.00 0.00 55.97 56.09 1a5l s LYS 44 Cb -0.23 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.19 1a5l s LYS 44 CO 0.26 -0.05 0.01 0.12 -0.36 0.00 0.00 175.35 175.33 1a5l s PHE 45 N -0.27 3.10 -5.00 4.03 5.36 -1.26 -1.70 117.98 122.23 1a5l s PHE 45 Ca -0.04 0.09 0.00 0.00 -0.96 0.00 0.00 56.93 56.02 1a5l s PHE 45 Cb -0.03 -1.67 0.00 0.00 -0.34 0.00 0.00 43.02 40.98 1a5l s PHE 45 CO 0.01 0.47 0.00 0.41 -1.46 0.00 0.00 175.22 174.65 1a5l n GLY 46 N 1.30 0.38 3.67 13.12 0.00 -1.26 -4.92 105.19 117.48 1a5l n GLY 46 Ca -0.14 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1a5l n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a5l s GLY 47 N 0.00 1.47 0.00 -0.02 0.00 -1.26 -1.61 107.32 105.90 1a5l s GLY 47 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 44.72 45.96 1a5l s GLY 47 CO 0.00 3.21 0.00 0.61 0.00 0.00 0.00 173.10 176.92 1a5l n GLY 48 N 4.30 0.38 0.00 0.20 0.00 -1.26 -5.01 105.19 103.80 1a5l n GLY 48 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1a5l n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a5l n LYS 49 N -1.70 0.95 0.09 1.61 4.76 -0.64 -5.04 118.16 118.20 1a5l n LYS 49 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 1a5l n LYS 49 Cb 0.14 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.20 1a5l n LYS 49 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1a5l h VAL 50 N -0.24 1.35 -0.72 -0.18 2.07 -1.65 -3.41 116.25 113.47 1a5l h VAL 50 Ca 0.00 -2.49 -0.55 0.00 0.82 0.00 0.00 66.70 64.48 1a5l h VAL 50 Cb 0.00 2.89 -0.07 0.00 -1.52 0.00 0.00 31.29 32.59 1a5l h VAL 50 CO 0.00 0.74 1.79 -0.63 0.02 0.00 0.00 177.57 179.49 1a5l s ILE 51 N -2.79 3.91 0.03 4.57 1.01 -0.69 -0.16 121.20 127.08 1a5l s ILE 51 Ca -0.11 -1.55 -0.06 0.00 0.00 0.00 0.00 60.65 58.93 1a5l s ILE 51 Cb 0.04 -4.97 -0.01 0.00 0.01 0.00 0.00 42.46 37.53 1a5l s ILE 51 CO 0.90 -1.65 0.11 -0.13 0.00 0.00 0.00 174.94 174.17 1a5l s ARG 52 N 5.05 0.56 -0.45 2.79 0.52 -1.26 -4.82 118.95 121.35 1a5l s ARG 52 Ca 0.59 -0.67 -0.46 0.00 -0.52 0.00 0.00 55.73 54.68 1a5l s ARG 52 Cb 0.02 0.22 -0.19 0.00 0.52 0.00 0.00 34.95 35.52 1a5l s ARG 52 CO 0.10 -0.14 1.61 -3.47 0.02 0.00 0.00 175.30 173.42 1a5l n ASP 53 N 0.94 1.36 0.00 0.23 2.03 -1.26 -0.76 116.55 119.08 1a5l n ASP 53 Ca -0.20 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.28 1a5l n ASP 53 Cb 0.58 -0.92 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 1a5l n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a5l n GLY 54 N 3.95 2.39 0.00 0.27 0.00 -0.38 -4.91 105.19 106.51 1a5l n GLY 54 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1a5l n GLY 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a5l n MET 55 N -2.00 0.00 0.00 1.61 2.81 0.06 -4.84 117.12 114.75 1a5l n MET 55 Ca 0.00 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.98 1a5l n MET 55 Cb 0.00 0.00 0.49 0.00 -0.71 0.00 0.00 33.22 33.00 1a5l n MET 55 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a5l n GLY 56 N 5.00 -0.89 3.30 3.03 0.00 0.77 -4.36 105.19 112.04 1a5l n GLY 56 Ca 0.00 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1a5l n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a5l s GLN 57 N -2.53 3.23 0.00 1.61 0.74 -1.09 -3.14 119.66 118.49 1a5l s GLN 57 Ca 0.19 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 54.83 1a5l s GLN 57 Cb 0.13 -2.49 0.00 0.00 1.10 0.00 0.00 33.01 31.75 1a5l s GLN 57 CO 0.28 0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.63 1a5l n GLY 58 N 3.54 0.17 0.66 2.59 0.00 0.14 -1.25 105.19 111.04 1a5l n GLY 58 Ca -0.19 -1.86 0.07 0.00 0.00 0.00 0.00 46.02 44.04 1a5l n GLY 58 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a5l n GLN 59 N -0.98 1.82 -2.22 1.61 1.13 -1.26 -4.20 117.38 113.28 1a5l n GLN 59 Ca 0.00 -1.72 -0.35 0.00 -1.94 0.00 0.00 57.00 52.99 1a5l n GLN 59 Cb 0.00 -1.29 0.01 0.00 0.11 0.00 0.00 30.24 29.06 1a5l n GLN 59 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1a5l s MET 60 N -1.07 3.30 0.85 -1.09 0.23 -1.26 -4.99 119.30 115.27 1a5l s MET 60 Ca 0.22 1.65 -0.12 0.00 -1.03 0.00 0.00 55.69 56.41 1a5l s MET 60 Cb 0.13 -2.00 0.10 0.00 -1.53 0.00 0.00 34.83 31.54 1a5l s MET 60 CO 0.18 -0.90 1.10 -0.51 -2.03 0.00 0.00 175.02 172.86 1a5l s LEU 61 N -3.83 2.40 0.30 0.18 1.43 -1.26 -4.45 118.68 113.44 1a5l s LEU 61 Ca 0.73 1.37 0.06 0.00 -1.03 0.00 0.00 54.13 55.27 1a5l s LEU 61 Cb -0.25 -3.87 0.78 0.00 0.03 0.00 0.00 46.19 42.88 1a5l s LEU 61 CO 0.28 -2.33 1.73 0.00 0.23 0.00 0.00 176.35 176.26 1a5l h ALA 62 N -1.34 1.63 0.00 4.21 0.00 -1.96 0.53 119.26 122.34 1a5l h ALA 62 Ca -0.48 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1a5l h ALA 62 Cb 1.28 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1a5l h ALA 62 CO 0.57 -0.22 -0.03 0.00 0.00 0.00 0.00 179.25 179.57 1a5l h ALA 63 N 1.69 1.24 -0.41 0.00 0.00 -2.00 -2.76 119.26 117.03 1a5l h ALA 63 Ca 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1a5l h ALA 63 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1a5l h ALA 63 CO -0.46 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 178.58 1a5l n ASP 64 N -3.47 4.64 -3.72 0.00 8.00 0.17 -4.97 116.55 117.21 1a5l n ASP 64 Ca -0.02 -2.92 -0.11 0.00 0.71 0.00 0.00 54.79 52.44 1a5l n ASP 64 Cb 0.14 -0.59 -0.06 0.00 -0.02 0.00 0.00 41.12 40.59 1a5l n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a5l s VAL 66 N -3.24 3.68 -0.01 0.00 -7.23 -0.82 -4.89 120.40 107.90 1a5l s VAL 66 Ca -0.00 0.65 -0.12 0.00 -1.81 0.00 0.00 61.98 60.70 1a5l s VAL 66 Cb 0.01 -3.24 -0.33 0.00 0.56 0.00 0.00 36.38 33.39 1a5l s VAL 66 CO -0.08 -0.61 0.84 0.44 -0.31 0.00 0.00 175.10 175.39 1a5l h ASP 67 N -0.34 0.69 -3.85 4.85 3.32 -1.38 -3.32 116.42 116.39 1a5l h ASP 67 Ca -0.45 -0.87 -0.30 0.00 0.02 0.00 0.00 57.03 55.42 1a5l h ASP 67 Cb 1.22 -0.23 -0.29 0.00 0.22 0.00 0.00 39.33 40.26 1a5l h ASP 67 CO 0.55 1.71 -0.75 -0.22 -1.72 0.00 0.00 179.24 178.82 1a5l s LEU 68 N -7.39 1.97 -0.06 1.55 2.96 -0.79 0.21 118.68 117.13 1a5l s LEU 68 Ca -0.12 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 1a5l s LEU 68 Cb 0.05 -0.21 0.02 0.00 0.50 0.00 0.00 46.19 46.55 1a5l s LEU 68 CO 0.90 0.04 -0.10 0.54 -1.32 0.00 0.00 176.35 176.41 1a5l s VAL 69 N -0.04 0.96 -0.42 1.68 0.11 -0.44 -0.82 120.40 121.42 1a5l s VAL 69 Ca 0.01 -0.37 -0.13 0.00 -2.93 0.00 0.00 61.98 58.55 1a5l s VAL 69 Cb -0.02 -0.90 0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1a5l s VAL 69 CO -0.00 0.32 0.30 -0.76 -3.33 0.00 0.00 175.10 171.62 1a5l s LEU 70 N 0.76 5.15 0.16 2.54 1.02 -0.05 -1.41 118.68 126.84 1a5l s LEU 70 Ca -0.13 -1.12 -0.26 0.00 0.02 0.00 0.00 54.13 52.64 1a5l s LEU 70 Cb -0.15 -2.11 -0.08 0.00 0.02 0.00 0.00 46.19 43.87 1a5l s LEU 70 CO 0.02 -0.50 0.82 0.42 0.02 0.00 0.00 176.35 177.13 1a5l s THR 71 N 1.60 4.37 -1.39 5.49 -4.23 -0.74 -1.08 115.64 119.66 1a5l s THR 71 Ca 0.04 1.79 -0.01 0.00 -1.18 0.00 0.00 61.69 62.33 1a5l s THR 71 Cb -0.21 -4.18 0.00 0.00 1.34 0.00 0.00 72.50 69.45 1a5l s THR 71 CO 0.07 0.48 0.50 0.59 -0.54 0.00 0.00 174.62 175.73 1a5l n ASN 72 N 1.82 -0.63 -4.81 3.99 3.02 -1.25 -1.30 115.26 116.10 1a5l n ASN 72 Ca -0.04 -0.95 -0.37 0.00 -0.03 0.00 0.00 54.58 53.19 1a5l n ASN 72 Cb 0.49 -3.33 -0.06 0.00 -0.61 0.00 0.00 39.78 36.27 1a5l n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a5l s ALA 73 N -3.87 3.43 -0.52 5.41 0.00 0.60 -3.29 121.76 123.53 1a5l s ALA 73 Ca 0.02 0.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.01 1a5l s ALA 73 Cb -0.01 -2.83 0.11 0.00 0.00 0.00 0.00 23.12 20.39 1a5l s ALA 73 CO 0.87 0.33 0.47 -1.17 0.00 0.00 0.00 175.76 176.25 1a5l s LEU 74 N -1.83 5.95 0.13 0.00 2.96 -0.99 -1.14 118.68 123.76 1a5l s LEU 74 Ca 0.41 -1.60 -0.27 0.00 -0.22 0.00 0.00 54.13 52.45 1a5l s LEU 74 Cb -0.18 -2.20 -0.07 0.00 0.50 0.00 0.00 46.19 44.24 1a5l s LEU 74 CO 0.21 -0.78 0.85 -0.63 -1.32 0.00 0.00 176.35 174.68 1a5l s ILE 75 N 1.65 4.45 -0.28 6.68 1.01 0.15 -0.57 121.20 134.29 1a5l s ILE 75 Ca 0.04 1.85 0.00 0.00 0.00 0.00 0.00 60.65 62.54 1a5l s ILE 75 Cb -0.28 -4.21 0.08 0.00 0.01 0.00 0.00 42.46 38.06 1a5l s ILE 75 CO 0.05 0.42 0.03 -0.69 0.00 0.00 0.00 174.94 174.75 1a5l s VAL 76 N -0.54 1.29 0.15 2.92 1.01 -1.04 -1.88 120.40 122.31 1a5l s VAL 76 Ca 0.40 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1a5l s VAL 76 Cb -0.23 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1a5l s VAL 76 CO 0.27 -0.41 0.08 -0.62 0.00 0.00 0.00 175.10 174.42 1a5l s ASP 77 N 1.45 0.26 0.61 3.32 2.15 -0.30 -4.63 116.67 119.54 1a5l s ASP 77 Ca 0.03 -1.26 0.29 0.00 0.43 0.00 0.00 52.55 52.05 1a5l s ASP 77 Cb -0.18 0.32 1.60 0.00 -0.30 0.00 0.00 42.92 44.36 1a5l s ASP 77 CO -0.14 -0.76 1.99 1.12 -0.17 0.00 0.00 175.17 177.21 1a5l h HIS 78 N 2.79 0.00 0.00 -5.34 2.07 -1.94 -1.69 115.15 111.04 1a5l h HIS 78 Ca -0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.17 1a5l h HIS 78 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 1a5l h HIS 78 CO 0.41 0.00 -0.83 -2.67 -3.07 0.00 0.00 177.93 171.77 1a5l n TRP 79 N -3.55 0.05 0.00 6.12 4.27 -1.26 -4.94 117.44 118.13 1a5l n TRP 79 Ca 0.04 0.02 0.00 0.00 -3.89 0.00 0.00 57.50 53.66 1a5l n TRP 79 Cb 0.47 -0.19 0.00 0.00 -1.36 0.00 0.00 31.31 30.23 1a5l n TRP 79 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1a5l n GLY 80 N 1.47 1.74 2.88 -1.67 0.00 -0.64 -5.05 105.19 103.92 1a5l n GLY 80 Ca 0.04 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1a5l n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5l s ILE 81 N -2.00 2.19 0.23 -0.61 1.01 -1.26 -1.15 121.20 119.62 1a5l s ILE 81 Ca 0.00 -3.02 0.08 0.00 0.00 0.00 0.00 60.65 57.71 1a5l s ILE 81 Cb 0.00 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 1a5l s ILE 81 CO 0.00 -0.82 -0.12 0.68 0.00 0.00 0.00 174.94 174.68 1a5l s VAL 82 N -0.01 1.75 -0.17 2.92 -7.23 -0.79 -1.28 120.40 115.59 1a5l s VAL 82 Ca 0.17 -2.20 -0.06 0.00 -1.81 0.00 0.00 61.98 58.07 1a5l s VAL 82 Cb -0.25 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1a5l s VAL 82 CO -0.01 -0.50 0.05 -0.75 -0.31 0.00 0.00 175.10 173.58 1a5l s LYS 83 N -3.66 3.84 0.05 4.82 2.47 -0.01 0.30 119.74 127.56 1a5l s LYS 83 Ca 0.25 -0.36 -0.28 0.00 -1.56 0.00 0.00 55.97 54.02 1a5l s LYS 83 Cb 0.00 -3.14 0.10 0.00 -1.46 0.00 0.00 37.83 33.33 1a5l s LYS 83 CO 0.09 0.33 1.16 0.00 0.16 0.00 0.00 175.35 177.09 1a5l s ALA 84 N 0.21 -2.02 0.09 3.13 0.00 -0.29 -1.37 121.76 121.51 1a5l s ALA 84 Ca 0.03 0.41 -0.10 0.00 0.00 0.00 0.00 51.96 52.30 1a5l s ALA 84 Cb -0.12 0.50 -0.06 0.00 0.00 0.00 0.00 23.12 23.44 1a5l s ALA 84 CO 0.01 -1.06 0.41 -0.51 0.00 0.00 0.00 175.76 174.61 1a5l s ASP 85 N -3.04 6.65 -0.14 0.00 1.01 -0.64 -0.29 116.67 120.22 1a5l s ASP 85 Ca 0.15 0.81 0.01 0.00 0.71 0.00 0.00 52.55 54.23 1a5l s ASP 85 Cb 0.02 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.77 1a5l s ASP 85 CO -0.01 0.16 -0.18 -0.63 0.21 0.00 0.00 175.17 174.72 1a5l s ILE 86 N -1.42 2.45 -0.14 0.77 1.01 -0.24 -1.20 121.20 122.43 1a5l s ILE 86 Ca 0.34 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 1a5l s ILE 86 Cb -0.14 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1a5l s ILE 86 CO 0.18 0.53 0.09 -0.83 0.00 0.00 0.00 174.94 174.91 1a5l s GLY 87 N 0.75 2.00 -0.11 6.18 0.00 0.46 -0.87 107.32 115.73 1a5l s GLY 87 Ca -0.07 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 43.96 1a5l s GLY 87 CO 0.00 -0.20 -0.18 0.14 0.00 0.00 0.00 173.10 172.86 1a5l s VAL 88 N -0.35 1.69 -0.01 1.40 1.01 -0.00 -0.74 120.40 123.39 1a5l s VAL 88 Ca 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1a5l s VAL 88 Cb -0.12 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1a5l s VAL 88 CO 0.02 0.48 -0.00 -0.75 0.00 0.00 0.00 175.10 174.84 1a5l s LYS 89 N 0.80 0.16 -1.42 2.72 2.20 -0.25 -1.20 119.74 122.76 1a5l s LYS 89 Ca -0.10 0.02 -0.00 0.00 -0.36 0.00 0.00 55.97 55.53 1a5l s LYS 89 Cb -0.16 -0.26 0.00 0.00 -1.51 0.00 0.00 37.83 35.90 1a5l s LYS 89 CO 0.01 -0.05 0.04 -0.25 -0.36 0.00 0.00 175.35 174.74 1a5l n ASP 90 N 3.57 -4.92 0.00 1.43 8.00 -1.26 -1.03 116.55 122.34 1a5l n ASP 90 Ca -0.20 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1a5l n ASP 90 Cb 0.55 -4.12 0.00 0.00 -0.02 0.00 0.00 41.12 37.53 1a5l n ASP 90 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5l n GLY 91 N -0.95 0.62 3.39 0.44 0.00 -1.26 -5.01 105.19 102.42 1a5l n GLY 91 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 1a5l n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5l s ARG 92 N -0.25 1.43 -0.29 1.61 0.52 -0.20 -1.15 118.95 120.62 1a5l s ARG 92 Ca 0.00 -1.52 -0.29 0.00 -0.52 0.00 0.00 55.73 53.41 1a5l s ARG 92 Cb 0.00 -1.59 -0.02 0.00 0.52 0.00 0.00 34.95 33.87 1a5l s ARG 92 CO 0.00 0.33 1.67 0.42 0.02 0.00 0.00 175.30 177.74 1a5l s ILE 93 N -2.01 3.62 -0.14 1.52 1.01 0.77 -1.09 121.20 124.89 1a5l s ILE 93 Ca 0.20 0.67 -0.19 0.00 0.00 0.00 0.00 60.65 61.32 1a5l s ILE 93 Cb -0.06 -3.74 -0.17 0.00 0.01 0.00 0.00 42.46 38.50 1a5l s ILE 93 CO 0.09 -0.41 0.45 0.15 0.00 0.00 0.00 174.94 175.23 1a5l h PHE 94 N 11.66 0.00 -3.01 3.97 3.57 -1.22 0.22 116.94 132.13 1a5l h PHE 94 Ca -0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1a5l h PHE 94 Cb 1.15 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.79 1a5l h PHE 94 CO 0.94 0.72 0.21 0.00 -2.23 0.00 0.00 178.31 177.95 1a5l s ALA 95 N -2.35 -1.49 -0.23 2.41 0.00 -1.07 -4.76 121.76 114.27 1a5l s ALA 95 Ca -0.15 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1a5l s ALA 95 Cb -0.01 0.88 0.06 0.00 0.00 0.00 0.00 23.12 24.05 1a5l s ALA 95 CO 0.47 -0.83 -0.04 0.42 0.00 0.00 0.00 175.76 175.78 1a5l s ILE 96 N -3.79 1.39 0.00 0.00 1.01 -1.26 -0.40 121.20 118.15 1a5l s ILE 96 Ca 0.04 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.53 1a5l s ILE 96 Cb -0.02 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1a5l s ILE 96 CO -0.08 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.33 1a5l n GLY 97 N 4.72 0.95 3.09 6.18 0.00 -0.34 -4.97 105.19 114.82 1a5l n GLY 97 Ca -0.11 0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1a5l n GLY 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a5l s LYS 98 N 3.84 2.32 0.48 1.61 2.36 -1.26 -1.62 119.74 127.47 1a5l s LYS 98 Ca 0.00 -1.30 -0.09 0.00 -2.55 0.00 0.00 55.97 52.02 1a5l s LYS 98 Cb 0.00 -2.94 -0.05 0.00 -1.05 0.00 0.00 37.83 33.79 1a5l s LYS 98 CO 0.00 -0.56 0.84 0.00 1.55 0.00 0.00 175.35 177.18 1a5l s ALA 99 N 1.14 3.30 0.00 3.13 0.00 -1.26 0.27 121.76 128.35 1a5l s ALA 99 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1a5l s ALA 99 Cb -0.20 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1a5l s ALA 99 CO -0.05 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1a5l n GLY 100 N -1.89 0.09 3.31 0.00 0.00 -0.35 -4.65 105.19 101.69 1a5l n GLY 100 Ca 0.03 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 1a5l n GLY 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a5l s ASN 101 N -4.00 4.66 0.55 1.61 2.47 -1.19 -1.80 114.94 117.25 1a5l s ASN 101 Ca 0.00 -0.61 0.37 0.00 0.42 0.00 0.00 52.86 53.04 1a5l s ASN 101 Cb 0.00 -1.79 1.85 0.00 -1.45 0.00 0.00 41.25 39.86 1a5l s ASN 101 CO 0.00 -0.11 2.11 -0.65 -3.72 0.00 0.00 177.10 174.73 1a5l h PRO 102 N 8.14 0.00 0.00 0.43 0.11 -1.92 0.08 132.00 138.84 1a5l h PRO 102 Ca -0.35 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.67 1a5l h PRO 102 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1a5l h PRO 102 CO 0.59 0.00 -0.39 -0.44 -0.21 0.00 0.00 178.00 177.56 1a5l h ASP 103 N 0.00 0.00 0.00 -2.05 3.32 -1.94 -3.37 116.42 112.38 1a5l h ASP 103 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1a5l h ASP 103 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1a5l h ASP 103 CO 0.00 0.39 -0.33 2.30 -1.72 0.00 0.00 179.24 179.87 1a5l n ILE 104 N -4.07 0.00 -4.10 0.35 -5.35 -1.09 -5.08 119.36 100.01 1a5l n ILE 104 Ca -0.02 -0.07 -0.29 0.00 -0.27 0.00 0.00 62.75 62.10 1a5l n ILE 104 Cb 0.42 0.47 -0.07 0.00 -1.74 0.00 0.00 39.64 38.72 1a5l n ILE 104 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1a5l s GLN 105 N -0.81 2.70 0.24 6.28 -0.21 -0.00 -5.08 119.66 122.79 1a5l s GLN 105 Ca 0.00 -0.82 -0.02 0.00 0.02 0.00 0.00 55.36 54.54 1a5l s GLN 105 Cb 0.00 -2.60 -0.05 0.00 1.00 0.00 0.00 33.01 31.36 1a5l s GLN 105 CO 0.00 0.53 0.46 -1.25 -2.12 0.00 0.00 175.29 172.91 1a5l s PRO 106 N -2.54 3.56 -2.08 2.91 0.04 -1.26 -4.47 135.00 131.16 1a5l s PRO 106 Ca 0.28 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.11 1a5l s PRO 106 Cb -0.11 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1a5l s PRO 106 CO 0.20 0.32 0.00 0.09 0.04 0.00 0.00 177.00 177.65 1a5l n ASN 107 N -0.82 -5.39 -4.66 6.66 4.13 -1.26 -4.94 115.26 108.98 1a5l n ASN 107 Ca -0.04 0.47 -0.42 0.00 1.68 0.00 0.00 54.58 56.27 1a5l n ASN 107 Cb 0.54 -4.62 -0.03 0.00 -1.54 0.00 0.00 39.78 34.13 1a5l n ASN 107 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1a5l s VAL 108 N -2.75 3.67 -0.14 2.41 1.01 -1.26 -4.53 120.40 118.81 1a5l s VAL 108 Ca 0.00 0.80 0.06 0.00 0.00 0.00 0.00 61.98 62.84 1a5l s VAL 108 Cb 0.00 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 1a5l s VAL 108 CO 0.00 -0.08 0.18 0.35 0.00 0.00 0.00 175.10 175.56 1a5l n THR 109 N 5.49 0.00 -3.91 3.92 -2.24 0.14 -4.86 114.28 112.83 1a5l n THR 109 Ca 0.17 -0.26 -0.30 0.00 -2.27 0.00 0.00 64.05 61.39 1a5l n THR 109 Cb 0.43 0.71 -0.14 0.00 -2.10 0.00 0.00 70.33 69.23 1a5l n THR 109 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1a5l s ILE 110 N -1.92 2.19 0.18 2.28 1.01 -0.65 -4.90 121.20 119.40 1a5l s ILE 110 Ca 0.00 -2.84 -0.30 0.00 0.00 0.00 0.00 60.65 57.51 1a5l s ILE 110 Cb 0.04 -2.55 -0.08 0.00 0.01 0.00 0.00 42.46 39.87 1a5l s ILE 110 CO 0.23 -0.76 1.28 -2.16 0.00 0.00 0.00 174.94 173.53 1a5l s PRO 111 N 0.22 4.41 -0.20 2.79 0.04 -1.26 -1.22 135.00 139.78 1a5l s PRO 111 Ca 0.15 1.99 -0.05 0.00 0.04 0.00 0.00 61.00 63.14 1a5l s PRO 111 Cb -0.24 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 1a5l s PRO 111 CO -0.03 -0.23 0.00 0.42 0.04 0.00 0.00 177.00 177.19 1a5l s ILE 112 N 0.24 4.00 0.05 0.56 1.01 -0.74 -1.93 121.20 124.38 1a5l s ILE 112 Ca 0.57 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.92 1a5l s ILE 112 Cb -0.35 -2.81 -0.00 0.00 0.01 0.00 0.00 42.46 39.31 1a5l s ILE 112 CO 0.36 0.43 0.02 0.61 0.00 0.00 0.00 174.94 176.37 1a5l n GLY 113 N 4.17 3.98 0.44 6.18 0.00 -1.26 0.28 105.19 118.98 1a5l n GLY 113 Ca -0.17 -1.88 0.26 0.00 0.00 0.00 0.00 46.02 44.23 1a5l n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5l h ALA 114 N 1.09 2.61 -0.19 4.61 0.00 -1.78 -0.33 119.26 125.26 1a5l h ALA 114 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a5l h ALA 114 Cb 0.14 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1a5l h ALA 114 CO 0.05 -0.90 0.00 0.00 0.00 0.00 0.00 179.25 178.41 1a5l n ALA 115 N -2.63 2.50 -2.64 0.00 0.00 -1.26 -4.88 120.51 111.59 1a5l n ALA 115 Ca 0.20 -0.42 -0.38 0.00 0.00 0.00 0.00 53.44 52.83 1a5l n ALA 115 Cb 0.89 -1.05 -0.08 0.00 0.00 0.00 0.00 19.45 19.21 1a5l n ALA 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a5l s THR 116 N -1.74 5.21 0.35 0.00 2.01 -0.14 -4.50 115.64 116.82 1a5l s THR 116 Ca 0.23 0.59 -0.07 0.00 0.31 0.00 0.00 61.69 62.75 1a5l s THR 116 Cb 0.12 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1a5l s THR 116 CO 0.17 0.22 0.65 -0.70 -0.69 0.00 0.00 174.62 174.28 1a5l s GLU 117 N 1.60 3.68 -0.06 4.92 2.56 0.13 -4.88 118.70 126.65 1a5l s GLU 117 Ca 0.16 0.19 0.04 0.00 0.00 0.00 0.00 54.97 55.35 1a5l s GLU 117 Cb -0.15 -2.53 0.00 0.00 2.00 0.00 0.00 34.13 33.45 1a5l s GLU 117 CO 0.08 0.08 -0.17 0.08 -0.56 0.00 0.00 175.26 174.78 1a5l s VAL 118 N -2.25 1.45 -0.19 3.70 1.01 -1.26 -1.33 120.40 121.53 1a5l s VAL 118 Ca 0.47 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1a5l s VAL 118 Cb -0.10 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.04 1a5l s VAL 118 CO 0.32 0.42 -0.18 -0.63 0.00 0.00 0.00 175.10 175.03 1a5l s ILE 119 N 0.24 2.05 -0.43 2.22 1.01 -0.50 -4.97 121.20 120.82 1a5l s ILE 119 Ca -0.09 -1.05 -0.29 0.00 0.00 0.00 0.00 60.65 59.22 1a5l s ILE 119 Cb -0.14 -1.92 0.03 0.00 0.01 0.00 0.00 42.46 40.44 1a5l s ILE 119 CO 0.04 0.43 1.09 0.00 0.00 0.00 0.00 174.94 176.49 1a5l s ALA 120 N 1.27 3.27 -0.62 9.38 0.00 -1.26 -1.80 121.76 132.00 1a5l s ALA 120 Ca 0.02 -0.38 0.13 0.00 0.00 0.00 0.00 51.96 51.73 1a5l s ALA 120 Cb -0.14 -3.79 0.40 0.00 0.00 0.00 0.00 23.12 19.59 1a5l s ALA 120 CO -0.11 -1.99 1.33 0.00 0.00 0.00 0.00 175.76 174.99 1a5l n ALA 121 N 7.46 2.52 -2.04 0.00 0.00 -0.42 -4.91 120.51 123.13 1a5l n ALA 121 Ca 0.11 -1.62 -0.42 0.00 0.00 0.00 0.00 53.44 51.51 1a5l n ALA 121 Cb 0.48 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.35 1a5l n ALA 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1a5l s GLU 122 N -1.75 4.21 0.00 0.00 1.03 -1.01 -1.58 118.70 119.60 1a5l s GLU 122 Ca 0.31 2.18 0.00 0.00 0.03 0.00 0.00 54.97 57.49 1a5l s GLU 122 Cb 0.21 -3.73 0.00 0.00 -0.80 0.00 0.00 34.13 29.81 1a5l s GLU 122 CO 0.13 -0.73 0.00 0.41 -1.33 0.00 0.00 175.26 173.74 1a5l n GLY 123 N 3.95 0.75 3.78 -3.83 0.00 -1.26 -4.78 105.19 103.80 1a5l n GLY 123 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1a5l n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5l s LYS 124 N -0.74 2.72 -0.14 1.61 -0.14 -0.61 -4.34 119.74 118.10 1a5l s LYS 124 Ca 0.00 -1.20 -0.03 0.00 -1.36 0.00 0.00 55.97 53.38 1a5l s LYS 124 Cb 0.00 -2.43 -0.03 0.00 -1.68 0.00 0.00 37.83 33.69 1a5l s LYS 124 CO 0.00 0.35 -0.03 0.42 -0.76 0.00 0.00 175.35 175.33 1a5l s ILE 125 N -2.22 4.01 -0.09 2.17 1.01 0.53 -2.34 121.20 124.28 1a5l s ILE 125 Ca 0.34 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.69 1a5l s ILE 125 Cb -0.07 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 1a5l s ILE 125 CO 0.24 0.52 -0.19 -0.69 0.00 0.00 0.00 174.94 174.82 1a5l s VAL 126 N 0.04 2.54 0.23 2.92 1.01 0.26 0.08 120.40 127.48 1a5l s VAL 126 Ca 0.01 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1a5l s VAL 126 Cb -0.13 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 1a5l s VAL 126 CO 0.02 0.56 0.04 0.42 0.00 0.00 0.00 175.10 176.14 1a5l s THR 127 N 0.03 0.76 0.80 3.92 -4.23 -0.14 -2.49 115.64 114.30 1a5l s THR 127 Ca -0.07 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.32 1a5l s THR 127 Cb -0.15 -2.41 0.07 0.00 1.34 0.00 0.00 72.50 71.35 1a5l s THR 127 CO 0.05 -0.23 1.09 0.00 -0.54 0.00 0.00 174.62 174.99 1a5l s ALA 128 N -3.61 2.15 0.26 3.99 0.00 -1.26 -0.53 121.76 122.77 1a5l s ALA 128 Ca 0.31 -0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.87 1a5l s ALA 128 Cb 0.07 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 1a5l s ALA 128 CO 0.10 -1.80 0.99 0.20 0.00 0.00 0.00 175.76 175.25 1a5l s GLY 129 N -3.75 3.06 0.80 0.00 0.00 -0.31 -4.53 107.32 102.59 1a5l s GLY 129 Ca 0.61 0.70 -0.11 0.00 0.00 0.00 0.00 44.72 45.92 1a5l s GLY 129 CO 0.55 1.26 1.09 -0.32 0.00 0.00 0.00 173.10 175.69 1a5l s GLY 130 N -1.14 1.67 -0.14 0.20 0.00 0.26 -4.59 107.32 103.57 1a5l s GLY 130 Ca 0.43 0.23 -0.02 0.00 0.00 0.00 0.00 44.72 45.37 1a5l s GLY 130 CO 0.34 0.60 -0.00 -0.42 0.00 0.00 0.00 173.10 173.62 1a5l s ILE 131 N -2.89 0.65 -0.27 0.90 1.01 0.82 -0.96 121.20 120.46 1a5l s ILE 131 Ca 0.62 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.83 1a5l s ILE 131 Cb -0.18 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 1a5l s ILE 131 CO 0.56 0.05 0.14 -0.62 0.00 0.00 0.00 174.94 175.07 1a5l s ASP 132 N 1.83 5.60 -0.28 3.58 -1.08 -0.73 -4.73 116.67 120.86 1a5l s ASP 132 Ca 0.02 -0.16 0.11 0.00 -0.52 0.00 0.00 52.55 52.00 1a5l s ASP 132 Cb -0.15 -2.03 0.55 0.00 -1.46 0.00 0.00 42.92 39.84 1a5l s ASP 132 CO -0.07 -0.06 1.53 0.35 0.52 0.00 0.00 175.17 177.44 1a5l n THR 133 N 5.00 2.58 -2.95 1.71 -2.24 -1.26 -0.50 114.28 116.62 1a5l n THR 133 Ca -0.15 -2.31 -0.14 0.00 -2.27 0.00 0.00 64.05 59.18 1a5l n THR 133 Cb 0.51 -0.32 -0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1a5l n THR 133 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1a5l n HIS 134 N -0.87 0.57 -3.67 4.78 -0.00 -1.14 -4.70 115.22 110.18 1a5l n HIS 134 Ca 0.33 -3.33 -0.35 0.00 -0.00 0.00 0.00 57.72 54.37 1a5l n HIS 134 Cb 1.09 -0.37 -0.08 0.00 -0.00 0.00 0.00 29.99 30.64 1a5l n HIS 134 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1a5l s ILE 135 N -2.70 5.38 -0.33 3.57 -1.09 -0.93 -1.40 121.20 123.70 1a5l s ILE 135 Ca 0.34 0.29 -0.13 0.00 -2.23 0.00 0.00 60.65 58.91 1a5l s ILE 135 Cb 0.40 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.74 1a5l s ILE 135 CO -0.03 0.42 0.27 -1.00 -1.23 0.00 0.00 174.94 173.38 1a5l s HIS 136 N 0.41 3.22 -1.35 3.97 3.76 -1.26 -0.98 115.29 123.07 1a5l s HIS 136 Ca 0.10 -0.09 -0.16 0.00 -0.15 0.00 0.00 55.06 54.76 1a5l s HIS 136 Cb -0.12 -2.52 0.03 0.00 1.11 0.00 0.00 32.58 31.08 1a5l s HIS 136 CO -0.00 -0.35 2.05 0.91 -0.85 0.00 0.00 174.74 176.51 1a5l n TRP 137 N 5.18 3.69 0.07 1.40 7.02 -0.20 -4.55 117.44 130.05 1a5l n TRP 137 Ca -0.12 -2.78 -0.13 0.00 -1.02 0.00 0.00 57.50 53.45 1a5l n TRP 137 Cb 0.50 -2.51 -0.13 0.00 -2.42 0.00 0.00 31.31 26.74 1a5l n TRP 137 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1a5l h ILE 138 N 4.57 1.42 -2.40 -0.99 2.04 -1.87 -1.02 117.51 119.25 1a5l h ILE 138 Ca 0.51 -3.07 -0.08 0.00 1.00 0.00 0.00 64.86 63.22 1a5l h ILE 138 Cb 0.72 2.83 -0.19 0.00 -0.74 0.00 0.00 36.82 39.43 1a5l h ILE 138 CO 1.75 0.86 0.01 0.00 0.00 0.00 0.00 178.15 180.77 1a5l h PRO 140 N 3.36 0.00 0.00 0.00 0.13 -1.98 -3.19 132.00 130.32 1a5l h PRO 140 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1a5l h PRO 140 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1a5l h PRO 140 CO 0.39 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.20 1a5l n GLN 141 N -2.81 0.07 0.10 0.86 3.00 -1.26 -2.55 117.38 114.78 1a5l n GLN 141 Ca 0.02 0.44 -0.01 0.00 -0.01 0.00 0.00 57.00 57.44 1a5l n GLN 141 Cb 0.33 -1.68 0.25 0.00 0.00 0.00 0.00 30.24 29.14 1a5l n GLN 141 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1a5l h GLN 142 N 0.00 0.24 -0.14 -1.09 4.20 -1.98 -3.08 115.11 113.25 1a5l h GLN 142 Ca 0.00 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 1a5l h GLN 142 Cb 0.15 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1a5l h GLN 142 CO 0.00 0.58 -0.18 0.00 -0.67 0.00 0.00 178.83 178.56 1a5l h ALA 143 N 1.41 1.44 0.01 3.87 0.00 -1.77 -1.62 119.26 122.61 1a5l h ALA 143 Ca 0.02 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 1a5l h ALA 143 Cb 0.76 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1a5l h ALA 143 CO 0.06 0.40 -0.69 1.49 0.00 0.00 0.00 179.25 180.51 1a5l h GLU 144 N 0.22 0.44 -0.66 0.00 4.81 -1.74 -0.94 114.58 116.71 1a5l h GLU 144 Ca 0.04 -0.49 0.06 0.00 -0.13 0.00 0.00 59.36 58.84 1a5l h GLU 144 Cb 0.46 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 1a5l h GLU 144 CO 0.03 1.15 0.37 1.49 -0.73 0.00 0.00 179.01 181.31 1a5l h GLU 145 N -0.06 0.66 -0.28 1.92 4.57 -1.46 -0.86 114.58 119.07 1a5l h GLU 145 Ca -0.09 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 57.89 1a5l h GLU 145 Cb 1.40 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1a5l h GLU 145 CO 0.13 0.44 -0.44 0.00 -1.18 0.00 0.00 179.01 177.96 1a5l h ALA 146 N 1.35 0.43 -0.53 2.92 0.00 -1.32 -3.01 119.26 119.10 1a5l h ALA 146 Ca 0.30 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1a5l h ALA 146 Cb 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1a5l h ALA 146 CO -0.18 0.56 0.34 1.25 0.00 0.00 0.00 179.25 181.22 1a5l h LEU 147 N 0.55 0.61 -1.72 0.00 5.85 -0.80 -1.24 115.31 118.56 1a5l h LEU 147 Ca 0.03 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1a5l h LEU 147 Cb 1.03 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1a5l h LEU 147 CO 0.10 0.45 0.10 0.58 -0.34 0.00 0.00 178.44 179.33 1a5l h VAL 148 N 0.71 1.08 0.00 1.05 2.07 -1.16 -1.77 116.25 118.23 1a5l h VAL 148 Ca 0.19 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1a5l h VAL 148 Cb -0.07 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1a5l h VAL 148 CO -0.04 0.09 0.00 -1.54 0.02 0.00 0.00 177.57 176.10 1a5l n SER 149 N -4.47 0.80 0.00 0.57 3.41 -0.93 -4.34 113.62 108.66 1a5l n SER 149 Ca 0.00 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1a5l n SER 149 Cb 0.11 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1a5l n SER 149 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a5l n GLY 150 N 1.23 1.39 3.46 5.00 0.00 -0.66 -4.87 105.19 110.74 1a5l n GLY 150 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1a5l n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a5l s VAL 151 N -2.00 4.63 -1.29 1.61 1.01 -0.51 -0.58 120.40 123.27 1a5l s VAL 151 Ca 0.00 -0.28 0.19 0.00 0.00 0.00 0.00 61.98 61.89 1a5l s VAL 151 Cb 0.00 -3.30 -0.12 0.00 0.00 0.00 0.00 36.38 32.96 1a5l s VAL 151 CO 0.00 0.15 0.89 0.35 0.00 0.00 0.00 175.10 176.49 1a5l n THR 152 N 4.98 0.00 -4.41 3.92 -2.24 -0.13 -3.55 114.28 112.85 1a5l n THR 152 Ca -0.14 -0.15 -0.20 0.00 -2.27 0.00 0.00 64.05 61.28 1a5l n THR 152 Cb 0.50 1.10 -0.15 0.00 -2.10 0.00 0.00 70.33 69.68 1a5l n THR 152 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1a5l s THR 153 N -2.57 0.79 -0.08 4.28 2.01 -0.99 -1.04 115.64 118.05 1a5l s THR 153 Ca 0.11 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 61.71 1a5l s THR 153 Cb 0.15 -0.68 0.03 0.00 0.01 0.00 0.00 72.50 72.00 1a5l s THR 153 CO 0.66 0.24 -0.03 -0.04 -0.69 0.00 0.00 174.62 174.76 1a5l s MET 154 N -0.00 0.93 -0.06 4.92 -1.94 0.18 -1.78 119.30 121.55 1a5l s MET 154 Ca 0.00 -0.05 0.04 0.00 -1.71 0.00 0.00 55.69 53.97 1a5l s MET 154 Cb -0.06 -1.11 -0.02 0.00 2.01 0.00 0.00 34.83 35.64 1a5l s MET 154 CO 0.00 -0.23 -0.19 0.08 -0.01 0.00 0.00 175.02 174.67 1a5l s VAL 155 N 1.61 2.64 -2.65 -6.03 1.01 0.34 -2.77 120.40 114.54 1a5l s VAL 155 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1a5l s VAL 155 Cb -0.13 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1a5l s VAL 155 CO -0.04 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1a5l n GLY 156 N 2.73 -0.80 3.38 4.51 0.00 -0.98 -2.18 105.19 111.84 1a5l n GLY 156 Ca -0.17 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 1a5l n GLY 156 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a5l s GLY 157 N 0.00 0.04 0.00 -0.02 0.00 -0.15 -1.46 107.32 105.73 1a5l s GLY 157 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.31 1a5l s GLY 157 CO 0.00 -0.50 0.00 0.61 0.00 0.00 0.00 173.10 173.21 1a5l n GLY 158 N -0.24 1.17 0.00 0.20 0.00 -1.18 -1.03 105.19 104.11 1a5l n GLY 158 Ca -0.11 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1a5l n GLY 158 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5l n THR 159 N -1.29 0.04 0.00 2.61 -2.24 -1.23 -4.61 114.28 107.55 1a5l n THR 159 Ca 0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1a5l n THR 159 Cb 0.00 1.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1a5l n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a5l n GLY 160 N -0.02 0.65 2.91 3.38 0.00 -0.39 -4.92 105.19 106.80 1a5l n GLY 160 Ca 0.00 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 1a5l n GLY 160 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a5l n PRO 161 N 0.00 2.16 -4.41 1.61 -0.04 -0.80 -4.44 135.00 129.08 1a5l n PRO 161 Ca 0.00 -2.18 -0.26 0.00 -0.04 0.00 0.00 63.50 61.01 1a5l n PRO 161 Cb 0.00 -3.07 -0.12 0.00 -0.04 0.00 0.00 33.50 30.27 1a5l n PRO 161 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a5l s ALA 162 N 4.11 2.46 0.26 0.55 0.00 -1.26 -4.99 121.76 122.89 1a5l s ALA 162 Ca 0.53 -1.61 -0.04 0.00 0.00 0.00 0.00 51.96 50.84 1a5l s ALA 162 Cb 0.14 -0.32 0.53 0.00 0.00 0.00 0.00 23.12 23.48 1a5l s ALA 162 CO 0.02 0.41 1.64 0.00 0.00 0.00 0.00 175.76 177.83 1a5l h ALA 163 N 3.25 0.97 -0.73 0.00 0.00 -1.99 0.82 119.26 121.57 1a5l h ALA 163 Ca -0.46 0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1a5l h ALA 163 Cb 1.21 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 1a5l h ALA 163 CO 0.48 -0.43 0.47 0.78 0.00 0.00 0.00 179.25 180.55 1a5l h GLY 164 N 0.15 1.04 1.69 0.00 0.00 -1.95 -2.52 103.07 101.49 1a5l h GLY 164 Ca 0.46 -0.37 -0.20 0.00 0.00 0.00 0.00 47.33 47.23 1a5l h GLY 164 CO -0.66 0.34 -0.86 -0.84 0.00 0.00 0.00 176.54 174.52 1a5l h THR 165 N 0.95 1.45 -0.82 4.70 2.02 -1.39 -0.33 112.91 119.48 1a5l h THR 165 Ca 0.28 -2.47 0.02 0.00 0.77 0.00 0.00 66.41 65.01 1a5l h THR 165 Cb -0.06 2.38 -0.05 0.00 -1.74 0.00 0.00 68.15 68.68 1a5l h THR 165 CO -0.08 0.73 0.54 0.45 0.37 0.00 0.00 175.52 177.52 1a5l h HIS 166 N 0.17 1.01 0.07 3.16 3.86 -0.66 -3.22 115.15 119.53 1a5l h HIS 166 Ca -0.05 0.03 -0.31 0.00 -1.16 0.00 0.00 60.37 58.88 1a5l h HIS 166 Cb 1.47 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 29.58 1a5l h HIS 166 CO 0.04 0.61 -1.65 0.00 0.86 0.00 0.00 177.93 177.78 1a5l h ALA 167 N 1.33 0.50 -2.23 2.45 0.00 -1.44 -3.42 119.26 116.44 1a5l h ALA 167 Ca 0.32 -1.29 -0.30 0.00 0.00 0.00 0.00 54.91 53.64 1a5l h ALA 167 Cb -0.05 0.41 -0.15 0.00 0.00 0.00 0.00 17.79 18.00 1a5l h ALA 167 CO -0.09 1.35 -0.71 0.95 0.00 0.00 0.00 179.25 180.75 1a5l s THR 168 N -2.61 1.03 -1.11 0.00 -4.23 -0.14 -5.01 115.64 103.58 1a5l s THR 168 Ca -0.09 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 58.35 1a5l s THR 168 Cb 0.07 -1.80 0.19 0.00 1.34 0.00 0.00 72.50 72.30 1a5l s THR 168 CO 0.82 -0.78 2.23 0.35 -0.54 0.00 0.00 174.62 176.70 1a5l n THR 169 N -0.15 5.22 -4.94 3.99 -2.24 -1.26 -4.27 114.28 110.63 1a5l n THR 169 Ca -0.11 -4.71 -0.27 0.00 -2.27 0.00 0.00 64.05 56.69 1a5l n THR 169 Cb 0.61 -1.81 -0.16 0.00 -2.10 0.00 0.00 70.33 66.87 1a5l n THR 169 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5l s THR 171 N -0.04 4.07 -0.29 0.00 2.01 -0.63 -3.08 115.64 117.68 1a5l s THR 171 Ca -0.03 -2.15 -0.28 0.00 0.31 0.00 0.00 61.69 59.54 1a5l s THR 171 Cb -0.12 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 1a5l s THR 171 CO 0.02 -0.81 1.98 -2.84 -0.69 0.00 0.00 174.62 172.29 1a5l s PRO 172 N 0.90 3.21 0.22 4.92 0.02 -1.26 -3.74 135.00 139.27 1a5l s PRO 172 Ca 0.10 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.77 1a5l s PRO 172 Cb -0.23 -4.28 0.00 0.00 0.02 0.00 0.00 34.50 30.01 1a5l s PRO 172 CO -0.03 -2.01 0.00 0.41 -0.33 0.00 0.00 177.00 175.04 1a5l n GLY 173 N 5.58 -2.46 0.27 0.52 0.00 -1.26 -4.21 105.19 103.63 1a5l n GLY 173 Ca 0.26 -1.32 0.05 0.00 0.00 0.00 0.00 46.02 45.01 1a5l n GLY 173 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a5l h PRO 174 N -0.58 0.16 0.38 1.61 0.11 -1.90 0.57 132.00 132.35 1a5l h PRO 174 Ca -0.05 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1a5l h PRO 174 Cb 0.56 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1a5l h PRO 174 CO 0.02 0.10 -0.18 2.35 -0.21 0.00 0.00 178.00 180.09 1a5l h TRP 175 N 0.16 -0.47 -0.09 0.65 7.01 -2.00 -1.26 115.95 119.96 1a5l h TRP 175 Ca 0.41 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.33 1a5l h TRP 175 Cb 0.71 0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.92 1a5l h TRP 175 CO -0.35 -0.16 -0.27 1.88 -2.79 0.00 0.00 178.44 176.75 1a5l h TYR 176 N -0.77 0.17 -0.08 2.65 0.05 -1.69 -1.29 116.97 116.02 1a5l h TYR 176 Ca -0.05 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 1a5l h TYR 176 Cb 0.52 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.21 1a5l h TYR 176 CO 0.01 0.42 0.03 0.82 -1.05 0.00 0.00 178.16 178.38 1a5l h ILE 177 N 0.14 1.16 -0.34 -2.88 2.04 -0.83 -0.63 117.51 116.18 1a5l h ILE 177 Ca 0.02 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 1a5l h ILE 177 Cb 0.56 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1a5l h ILE 177 CO 0.04 0.14 0.10 0.28 0.00 0.00 0.00 178.15 178.71 1a5l h SER 178 N -0.06 0.44 -0.22 1.72 0.02 -0.96 -0.36 113.55 114.14 1a5l h SER 178 Ca 0.02 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 1a5l h SER 178 Cb 0.20 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1a5l h SER 178 CO -0.00 0.44 -0.18 -0.09 -1.14 0.00 0.00 176.83 175.85 1a5l h ARG 179 N 0.48 0.51 -0.09 3.45 9.65 -0.98 -2.40 114.38 124.99 1a5l h ARG 179 Ca 0.12 -0.26 -0.10 0.00 -1.10 0.00 0.00 59.98 58.64 1a5l h ARG 179 Cb 0.16 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 1a5l h ARG 179 CO -0.01 0.83 -0.38 0.52 2.80 0.00 0.00 179.97 183.74 1a5l h MET 180 N 0.19 0.19 -0.59 0.20 2.86 -0.65 -1.39 114.93 115.75 1a5l h MET 180 Ca 0.04 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1a5l h MET 180 Cb 0.72 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1a5l h MET 180 CO 0.05 0.55 -0.05 -0.07 1.06 0.00 0.00 176.91 178.45 1a5l h LEU 181 N 0.17 1.06 -0.44 1.22 3.38 -0.98 -1.25 115.31 118.46 1a5l h LEU 181 Ca 0.02 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 1a5l h LEU 181 Cb 0.75 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1a5l h LEU 181 CO 0.06 1.13 -0.09 1.56 0.09 0.00 0.00 178.44 181.18 1a5l h GLN 182 N 0.96 0.84 0.00 1.13 4.20 -1.07 -2.85 115.11 118.33 1a5l h GLN 182 Ca 0.16 -0.32 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 1a5l h GLN 182 Cb 0.62 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1a5l h GLN 182 CO 0.04 0.95 -0.21 0.00 -0.67 0.00 0.00 178.83 178.94 1a5l h ALA 183 N 0.87 1.38 -0.16 3.87 0.00 -1.09 -2.90 119.26 121.22 1a5l h ALA 183 Ca 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1a5l h ALA 183 Cb 0.63 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1a5l h ALA 183 CO 0.04 0.26 0.01 0.00 0.00 0.00 0.00 179.25 179.57 1a5l h ALA 184 N 1.79 1.72 -0.17 0.00 0.00 -0.97 -2.23 119.26 119.40 1a5l h ALA 184 Ca -0.00 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1a5l h ALA 184 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1a5l h ALA 184 CO 0.03 0.21 0.20 -0.44 0.00 0.00 0.00 179.25 179.26 1a5l h ASP 185 N 0.23 0.00 0.69 0.00 3.32 -1.58 0.02 116.42 119.10 1a5l h ASP 185 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1a5l h ASP 185 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1a5l h ASP 185 CO 0.00 0.00 -0.18 -1.20 -1.72 0.00 0.00 179.24 176.14 1a5l n SER 186 N -3.71 0.26 -4.80 6.45 7.64 -0.84 -4.69 113.62 113.94 1a5l n SER 186 Ca 0.01 0.01 -0.36 0.00 1.01 0.00 0.00 58.87 59.54 1a5l n SER 186 Cb 0.32 -0.16 -0.07 0.00 -1.01 0.00 0.00 64.21 63.28 1a5l n SER 186 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a5l s LEU 187 N -2.88 4.18 0.00 -3.43 1.43 -0.01 -5.01 118.68 112.98 1a5l s LEU 187 Ca 0.17 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1a5l s LEU 187 Cb 0.19 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1a5l s LEU 187 CO 0.57 0.33 0.38 -0.81 0.23 0.00 0.00 176.35 177.06 1a5l n PRO 188 N 2.50 0.68 -4.31 1.29 -0.04 -1.26 -4.81 135.00 129.04 1a5l n PRO 188 Ca -0.19 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.10 1a5l n PRO 188 Cb 0.54 -1.30 -0.10 0.00 -0.04 0.00 0.00 33.50 32.60 1a5l n PRO 188 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1a5l s VAL 189 N -1.13 1.47 0.31 0.52 -7.23 -1.26 -5.00 120.40 108.07 1a5l s VAL 189 Ca 0.00 -2.14 -0.28 0.00 -1.81 0.00 0.00 61.98 57.75 1a5l s VAL 189 Cb 0.00 -2.02 -0.09 0.00 0.56 0.00 0.00 36.38 34.82 1a5l s VAL 189 CO 0.00 -0.61 1.12 0.20 -0.31 0.00 0.00 175.10 175.50 1a5l s ASN 190 N -3.27 7.10 0.04 4.85 0.01 -0.20 -4.68 114.94 118.78 1a5l s ASN 190 Ca 0.21 2.30 0.03 0.00 -0.71 0.00 0.00 52.86 54.70 1a5l s ASN 190 Cb 0.01 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 1a5l s ASN 190 CO 0.05 -0.27 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.65 1a5l s ILE 191 N -1.23 0.74 -0.12 0.60 1.01 -0.75 -0.65 121.20 120.80 1a5l s ILE 191 Ca 0.47 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 1a5l s ILE 191 Cb -0.32 -0.72 0.04 0.00 0.01 0.00 0.00 42.46 41.48 1a5l s ILE 191 CO 0.41 -0.16 0.30 -0.83 0.00 0.00 0.00 174.94 174.66 1a5l s GLY 192 N -1.19 -0.21 0.15 6.18 0.00 -1.12 -0.66 107.32 110.48 1a5l s GLY 192 Ca -0.04 1.10 0.01 0.00 0.00 0.00 0.00 44.72 45.79 1a5l s GLY 192 CO 0.01 1.22 0.30 1.08 0.00 0.00 0.00 173.10 175.71 1a5l s LEU 193 N 1.00 4.31 -0.06 0.66 1.43 -1.26 -2.32 118.68 122.44 1a5l s LEU 193 Ca -0.07 0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.32 1a5l s LEU 193 Cb -0.08 -2.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 1a5l s LEU 193 CO -0.07 0.04 -0.20 -0.76 0.23 0.00 0.00 176.35 175.59 1a5l s LEU 194 N -3.18 2.36 0.00 1.79 1.43 -0.54 -0.51 118.68 120.03 1a5l s LEU 194 Ca 0.36 -0.38 0.09 0.00 -1.03 0.00 0.00 54.13 53.16 1a5l s LEU 194 Cb -0.11 -1.46 0.09 0.00 0.03 0.00 0.00 46.19 44.74 1a5l s LEU 194 CO 0.29 0.28 0.71 0.61 0.23 0.00 0.00 176.35 178.46 1a5l n GLY 195 N 2.75 2.00 3.59 -3.19 0.00 -0.57 -1.61 105.19 108.17 1a5l n GLY 195 Ca -0.17 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.20 1a5l n GLY 195 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a5l s LYS 196 N -4.36 3.73 0.00 1.61 2.20 -1.25 -1.25 119.74 120.42 1a5l s LYS 196 Ca 0.54 0.47 0.22 0.00 -0.36 0.00 0.00 55.97 56.84 1a5l s LYS 196 Cb -0.04 -3.86 0.65 0.00 -1.51 0.00 0.00 37.83 33.07 1a5l s LYS 196 CO 0.34 -1.12 1.50 0.41 -0.36 0.00 0.00 175.35 176.13 1a5l n GLY 197 N 4.62 0.69 3.52 5.54 0.00 -0.35 -4.78 105.19 114.43 1a5l n GLY 197 Ca 0.08 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1a5l n GLY 197 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a5l s ASN 198 N -1.62 6.76 -0.06 1.61 -0.87 -1.26 -4.55 114.94 114.95 1a5l s ASN 198 Ca 0.34 -2.23 -0.31 0.00 -1.57 0.00 0.00 52.86 49.09 1a5l s ASN 198 Cb 0.19 -2.50 0.07 0.00 -0.02 0.00 0.00 41.25 39.00 1a5l s ASN 198 CO 0.29 -1.14 0.70 -0.69 -2.57 0.00 0.00 177.10 173.68 1a5l s VAL 199 N 3.48 0.00 -0.75 1.60 1.01 -1.26 -4.99 120.40 119.48 1a5l s VAL 199 Ca 0.45 0.00 0.16 0.00 0.00 0.00 0.00 61.98 62.59 1a5l s VAL 199 Cb -0.01 -1.00 0.63 0.00 0.00 0.00 0.00 36.38 36.00 1a5l s VAL 199 CO -0.02 0.00 1.54 -1.20 0.00 0.00 0.00 175.10 175.42 1a5l n SER 200 N 0.94 4.41 -4.02 3.32 7.64 -1.26 -4.50 113.62 120.15 1a5l n SER 200 Ca -0.18 -2.58 -0.31 0.00 1.01 0.00 0.00 58.87 56.80 1a5l n SER 200 Cb 0.57 -0.53 -0.16 0.00 -1.01 0.00 0.00 64.21 63.08 1a5l n SER 200 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1a5l s GLN 201 N -2.07 2.12 0.20 1.43 2.00 -1.26 -5.01 119.66 117.07 1a5l s GLN 201 Ca 0.45 -1.05 -0.12 0.00 -2.00 0.00 0.00 55.36 52.65 1a5l s GLN 201 Cb 0.31 -2.63 0.24 0.00 0.80 0.00 0.00 33.01 31.73 1a5l s GLN 201 CO 0.18 -0.49 1.69 -1.35 -0.50 0.00 0.00 175.29 174.83 1a5l h PRO 202 N 7.90 0.18 -0.62 1.67 0.11 -1.91 -2.24 132.00 137.08 1a5l h PRO 202 Ca -0.25 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.97 1a5l h PRO 202 Cb 1.08 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1a5l h PRO 202 CO 0.47 0.12 0.42 -0.44 -0.21 0.00 0.00 178.00 178.36 1a5l h ASP 203 N 0.18 0.32 0.49 -2.05 3.32 -1.99 0.36 116.42 117.05 1a5l h ASP 203 Ca 0.28 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 1a5l h ASP 203 Cb 0.42 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1a5l h ASP 203 CO -0.41 0.18 -0.11 0.00 -1.72 0.00 0.00 179.24 177.18 1a5l h ALA 204 N 1.69 1.19 0.09 3.45 0.00 -1.84 -2.15 119.26 121.69 1a5l h ALA 204 Ca 0.29 -0.10 -0.33 0.00 0.00 0.00 0.00 54.91 54.77 1a5l h ALA 204 Cb 0.68 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1a5l h ALA 204 CO -0.08 0.14 -1.81 1.28 0.00 0.00 0.00 179.25 178.78 1a5l n LEU 205 N -3.49 2.44 -0.37 0.00 4.77 -0.01 -4.06 117.00 116.28 1a5l n LEU 205 Ca -0.01 0.27 0.06 0.00 -0.03 0.00 0.00 56.01 56.30 1a5l n LEU 205 Cb 0.26 -1.08 0.23 0.00 -2.33 0.00 0.00 43.42 40.49 1a5l n LEU 205 CO 0.29 0.71 1.24 0.03 -1.33 0.00 0.00 177.39 178.33 1a5l h ARG 206 N -0.21 1.00 -0.68 3.23 3.08 -1.00 -0.93 114.38 118.88 1a5l h ARG 206 Ca -0.41 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 59.63 1a5l h ARG 206 Cb 1.85 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 31.62 1a5l h ARG 206 CO 0.01 0.66 0.39 0.93 -1.07 0.00 0.00 179.97 180.90 1a5l h GLU 207 N 1.03 0.72 -0.27 0.04 5.08 -1.57 0.03 114.58 119.64 1a5l h GLU 207 Ca 0.49 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.77 1a5l h GLU 207 Cb 0.43 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1a5l h GLU 207 CO -0.25 0.47 0.04 1.96 -1.00 0.00 0.00 179.01 180.24 1a5l h GLN 208 N 0.74 0.45 -0.84 2.33 4.20 -1.34 -1.06 115.11 119.58 1a5l h GLN 208 Ca 0.29 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 1a5l h GLN 208 Cb 0.13 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 1a5l h GLN 208 CO -0.16 0.57 0.45 0.28 -0.67 0.00 0.00 178.83 179.30 1a5l h VAL 209 N 0.27 1.25 0.00 -0.54 2.07 -1.06 -1.13 116.25 117.11 1a5l h VAL 209 Ca 0.08 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1a5l h VAL 209 Cb 0.34 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1a5l h VAL 209 CO 0.01 0.29 -0.17 0.00 0.02 0.00 0.00 177.57 177.71 1a5l h ALA 210 N 1.24 1.21 0.00 1.67 0.00 -0.84 -2.43 119.26 120.11 1a5l h ALA 210 Ca 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1a5l h ALA 210 Cb 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1a5l h ALA 210 CO -0.04 0.22 -0.14 0.00 0.00 0.00 0.00 179.25 179.28 1a5l h ALA 211 N 1.83 0.91 0.00 0.00 0.00 0.08 -3.34 119.26 118.74 1a5l h ALA 211 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1a5l h ALA 211 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1a5l h ALA 211 CO 0.02 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1a5l n GLY 212 N 1.08 0.58 3.77 0.00 0.00 -0.91 -4.70 105.19 105.00 1a5l n GLY 212 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1a5l n GLY 212 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a5l s VAL 213 N 0.00 2.85 -2.78 1.61 -7.23 -1.18 -3.82 120.40 109.84 1a5l s VAL 213 Ca 0.00 0.72 0.24 0.00 -1.81 0.00 0.00 61.98 61.13 1a5l s VAL 213 Cb 0.00 -3.41 0.30 0.00 0.56 0.00 0.00 36.38 33.84 1a5l s VAL 213 CO 0.00 0.07 1.37 2.30 -0.31 0.00 0.00 175.10 178.53 1a5l n ILE 214 N -0.02 0.12 -3.83 -0.62 -5.35 0.34 -4.07 119.36 105.94 1a5l n ILE 214 Ca 0.05 -0.52 -0.04 0.00 -0.27 0.00 0.00 62.75 61.97 1a5l n ILE 214 Cb 0.45 1.20 0.01 0.00 -1.74 0.00 0.00 39.64 39.56 1a5l n ILE 214 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1a5l s GLY 215 N -1.86 0.01 -0.07 3.28 0.00 -1.20 -2.74 107.32 104.74 1a5l s GLY 215 Ca 0.32 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.85 1a5l s GLY 215 CO 0.31 1.26 -0.08 1.08 0.00 0.00 0.00 173.10 175.67 1a5l s LEU 216 N -3.20 1.42 -0.23 0.66 1.43 -0.44 -1.51 118.68 116.80 1a5l s LEU 216 Ca 0.18 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 1a5l s LEU 216 Cb -0.02 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 1a5l s LEU 216 CO 0.05 -0.03 0.24 0.00 0.23 0.00 0.00 176.35 176.83 1a5l s ILE 218 N 1.23 5.09 0.01 0.00 1.09 0.97 -1.21 121.20 128.38 1a5l s ILE 218 Ca 0.11 -0.41 0.09 0.00 -1.10 0.00 0.00 60.65 59.34 1a5l s ILE 218 Cb -0.14 -3.68 -0.02 0.00 -1.06 0.00 0.00 42.46 37.56 1a5l s ILE 218 CO 0.06 -0.08 -0.26 -2.28 -0.10 0.00 0.00 174.94 172.28 1a5l s HIS 219 N 1.68 2.31 0.55 3.97 2.46 -1.26 -1.04 115.29 123.95 1a5l s HIS 219 Ca 0.05 -0.42 0.23 0.00 0.47 0.00 0.00 55.06 55.39 1a5l s HIS 219 Cb -0.18 -1.43 1.46 0.00 -0.13 0.00 0.00 32.58 32.30 1a5l s HIS 219 CO 0.09 0.04 2.10 1.05 -2.47 0.00 0.00 174.74 175.56 1a5l h GLU 220 N 5.15 0.00 0.00 2.88 4.11 -1.63 -2.27 114.58 122.81 1a5l h GLU 220 Ca -0.45 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.95 1a5l h GLU 220 Cb 1.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1a5l h GLU 220 CO 0.45 0.00 -0.14 -0.44 0.07 0.00 0.00 179.01 178.95 1a5l h ASP 221 N 0.00 0.00 0.01 3.06 5.19 -1.94 -0.07 116.42 122.66 1a5l h ASP 221 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1a5l h ASP 221 Cb 0.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.92 1a5l h ASP 221 CO -0.00 0.14 -0.12 0.79 -3.12 0.00 0.00 179.24 176.93 1a5l n TRP 222 N -3.82 0.00 -0.09 4.55 7.02 -0.87 -4.99 117.44 119.24 1a5l n TRP 222 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1a5l n TRP 222 Cb 0.25 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.12 1a5l n TRP 222 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1a5l n GLY 223 N 1.31 -0.39 2.70 6.99 0.00 -0.04 -4.92 105.19 110.84 1a5l n GLY 223 Ca 0.14 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1a5l n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5l n ALA 224 N 0.02 6.00 -2.29 4.61 0.00 -1.25 -4.85 120.51 122.75 1a5l n ALA 224 Ca 0.00 -4.21 -0.28 0.00 0.00 0.00 0.00 53.44 48.95 1a5l n ALA 224 Cb 0.00 -2.91 -0.01 0.00 0.00 0.00 0.00 19.45 16.53 1a5l n ALA 224 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1a5l s THR 225 N -0.19 4.90 0.36 0.00 -4.23 -1.26 -4.42 115.64 110.80 1a5l s THR 225 Ca 0.46 0.25 0.08 0.00 -1.18 0.00 0.00 61.69 61.30 1a5l s THR 225 Cb 0.13 -3.83 0.31 0.00 1.34 0.00 0.00 72.50 70.46 1a5l s THR 225 CO -0.04 -0.72 1.91 -0.65 -0.54 0.00 0.00 174.62 174.58 1a5l h PRO 226 N 0.60 0.69 -0.50 3.99 0.11 -1.93 -0.16 132.00 134.80 1a5l h PRO 226 Ca -0.47 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1a5l h PRO 226 Cb 1.20 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1a5l h PRO 226 CO 0.62 0.46 0.11 0.00 -0.21 0.00 0.00 178.00 178.98 1a5l h ALA 227 N 1.60 0.66 -0.20 -0.75 0.00 -1.98 -0.78 119.26 117.81 1a5l h ALA 227 Ca 0.39 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1a5l h ALA 227 Cb 0.54 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1a5l h ALA 227 CO -0.16 0.37 -0.15 0.00 0.00 0.00 0.00 179.25 179.32 1a5l h ALA 228 N 0.98 0.29 -0.08 0.00 0.00 -1.59 -2.08 119.26 116.79 1a5l h ALA 228 Ca 0.15 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1a5l h ALA 228 Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1a5l h ALA 228 CO 0.00 0.17 -0.05 0.82 0.00 0.00 0.00 179.25 180.19 1a5l h ILE 229 N 0.14 0.84 -0.83 0.00 2.04 -0.97 -0.64 117.51 118.08 1a5l h ILE 229 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1a5l h ILE 229 Cb 0.67 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1a5l h ILE 229 CO 0.04 0.00 0.54 -0.78 0.00 0.00 0.00 178.15 177.95 1a5l h ASP 230 N -0.06 0.97 -0.38 1.72 3.58 -1.18 -1.81 116.42 119.27 1a5l h ASP 230 Ca 0.05 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 1a5l h ASP 230 Cb 0.13 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 1a5l h ASP 230 CO -0.11 0.72 0.16 0.00 -2.88 0.00 0.00 179.24 177.13 1a5l h ALA 232 N 1.01 0.97 -0.01 0.00 0.00 -0.89 -2.68 119.26 117.67 1a5l h ALA 232 Ca 0.13 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1a5l h ALA 232 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1a5l h ALA 232 CO -0.01 0.67 -0.49 -0.07 0.00 0.00 0.00 179.25 179.34 1a5l h LEU 233 N 1.09 0.01 -0.13 0.00 3.38 -1.18 -0.47 115.31 118.02 1a5l h LEU 233 Ca 0.23 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1a5l h LEU 233 Cb 0.35 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1a5l h LEU 233 CO -0.00 0.50 -0.01 0.74 0.09 0.00 0.00 178.44 179.77 1a5l h THR 234 N 0.01 1.26 -0.52 0.22 2.02 -1.06 -1.84 112.91 113.01 1a5l h THR 234 Ca -0.00 -0.86 -0.11 0.00 0.77 0.00 0.00 66.41 66.20 1a5l h THR 234 Cb 0.87 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 1a5l h THR 234 CO 0.06 0.25 -0.12 0.58 0.37 0.00 0.00 175.52 176.66 1a5l h VAL 235 N -0.05 1.27 -0.46 3.16 2.07 -1.38 -2.70 116.25 118.16 1a5l h VAL 235 Ca 0.03 -1.27 0.05 0.00 0.82 0.00 0.00 66.70 66.34 1a5l h VAL 235 Cb 0.39 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1a5l h VAL 235 CO 0.01 0.44 0.19 0.00 0.02 0.00 0.00 177.57 178.23 1a5l h ALA 236 N 0.98 0.56 -0.30 1.67 0.00 -1.02 -0.59 119.26 120.54 1a5l h ALA 236 Ca 0.13 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1a5l h ALA 236 Cb 0.68 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1a5l h ALA 236 CO 0.05 -0.19 0.21 -0.44 0.00 0.00 0.00 179.25 178.87 1a5l h ASP 237 N 0.37 0.17 0.64 0.00 3.32 -1.02 -0.40 116.42 119.51 1a5l h ASP 237 Ca 0.21 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1a5l h ASP 237 Cb 0.18 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1a5l h ASP 237 CO -0.19 0.11 -1.31 -1.84 -1.72 0.00 0.00 179.24 174.29 1a5l n GLU 238 N -4.48 0.59 -0.00 3.56 0.28 -0.66 -4.36 120.64 115.57 1a5l n GLU 238 Ca 0.03 0.01 0.07 0.00 -0.16 0.00 0.00 57.16 57.12 1a5l n GLU 238 Cb 0.24 -1.71 0.06 0.00 1.43 0.00 0.00 31.44 31.45 1a5l n GLU 238 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1a5l n MET 239 N -2.49 0.95 -3.46 3.44 2.81 -0.32 -5.01 117.12 113.04 1a5l n MET 239 Ca -0.01 -1.34 -0.21 0.00 -1.81 0.00 0.00 57.70 54.34 1a5l n MET 239 Cb 0.55 -1.27 0.06 0.00 -0.71 0.00 0.00 33.22 31.85 1a5l n MET 239 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1a5l n ASP 240 N 0.79 -4.88 -4.29 7.83 2.03 -0.19 -4.65 116.55 113.19 1a5l n ASP 240 Ca 0.08 -0.80 -0.16 0.00 0.52 0.00 0.00 54.79 54.44 1a5l n ASP 240 Cb 0.35 -4.54 -0.10 0.00 -0.72 0.00 0.00 41.12 36.11 1a5l n ASP 240 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1a5l s ILE 241 N -3.45 1.24 0.24 5.18 -5.25 -1.19 -4.59 121.20 113.38 1a5l s ILE 241 Ca 0.34 -2.08 -0.02 0.00 -0.99 0.00 0.00 60.65 57.90 1a5l s ILE 241 Cb -0.07 -2.03 -0.04 0.00 2.95 0.00 0.00 42.46 43.27 1a5l s ILE 241 CO 0.78 -0.60 0.45 -1.58 -1.79 0.00 0.00 174.94 172.20 1a5l s GLN 242 N -3.76 3.55 -0.09 0.37 2.00 -1.11 -4.68 119.66 115.95 1a5l s GLN 242 Ca 0.21 -0.25 0.04 0.00 -2.00 0.00 0.00 55.36 53.36 1a5l s GLN 242 Cb 0.03 -2.77 -0.01 0.00 0.80 0.00 0.00 33.01 31.06 1a5l s GLN 242 CO 0.04 0.32 -0.20 0.08 -0.50 0.00 0.00 175.29 175.03 1a5l s VAL 243 N -1.98 2.47 -0.17 1.34 1.01 -1.26 -1.33 120.40 120.48 1a5l s VAL 243 Ca 0.40 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 1a5l s VAL 243 Cb -0.11 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 1a5l s VAL 243 CO 0.30 0.56 -0.14 0.00 0.00 0.00 0.00 175.10 175.82 1a5l s ALA 244 N 0.03 2.54 -0.06 5.51 0.00 -0.34 -1.42 121.76 128.02 1a5l s ALA 244 Ca -0.07 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1a5l s ALA 244 Cb -0.15 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1a5l s ALA 244 CO 0.05 -0.13 -0.09 -1.17 0.00 0.00 0.00 175.76 174.42 1a5l s LEU 245 N 0.97 3.06 -0.40 0.00 2.96 -0.10 -0.02 118.68 125.15 1a5l s LEU 245 Ca -0.02 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1a5l s LEU 245 Cb -0.15 -1.67 0.13 0.00 0.50 0.00 0.00 46.19 45.00 1a5l s LEU 245 CO -0.02 0.35 0.20 -2.28 -1.32 0.00 0.00 176.35 173.28 1a5l s HIS 246 N -0.81 1.77 1.14 5.38 5.65 -0.20 -0.67 115.29 127.54 1a5l s HIS 246 Ca 0.13 -2.16 -0.13 0.00 0.25 0.00 0.00 55.06 53.15 1a5l s HIS 246 Cb -0.11 -1.73 0.27 0.00 -1.18 0.00 0.00 32.58 29.83 1a5l s HIS 246 CO 0.02 -0.81 1.04 -1.54 -0.65 0.00 0.00 174.74 172.79 1a5l s SER 247 N 0.75 1.17 -0.50 9.88 1.04 -1.26 -1.96 113.70 122.83 1a5l s SER 247 Ca 0.16 1.56 -0.27 0.00 0.48 0.00 0.00 55.95 57.88 1a5l s SER 247 Cb -0.23 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 1a5l s SER 247 CO -0.05 -4.09 1.90 -0.62 0.98 0.00 0.00 173.24 171.36 1a5l s ASP 248 N -2.57 5.39 0.27 7.02 2.15 -1.26 -3.63 116.67 124.04 1a5l s ASP 248 Ca 0.68 0.76 0.07 0.00 0.43 0.00 0.00 52.55 54.49 1a5l s ASP 248 Cb -0.25 -2.52 0.37 0.00 -0.30 0.00 0.00 42.92 40.22 1a5l s ASP 248 CO 0.64 -2.21 1.64 0.74 -0.17 0.00 0.00 175.17 175.81 1a5l h THR 249 N 6.95 1.36 0.00 1.71 2.02 -1.92 -3.21 112.91 119.82 1a5l h THR 249 Ca -0.28 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.11 1a5l h THR 249 Cb 1.18 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1a5l h THR 249 CO 1.15 0.53 0.00 0.18 0.37 0.00 0.00 175.52 177.74 1a5l n LEU 250 N -3.93 0.00 -2.06 2.58 4.77 -1.26 -3.12 117.00 113.97 1a5l n LEU 250 Ca -0.02 0.45 -0.20 0.00 -0.03 0.00 0.00 56.01 56.22 1a5l n LEU 250 Cb 0.55 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1a5l n LEU 250 CO 0.43 -0.06 -0.24 0.59 -1.33 0.00 0.00 177.39 176.78 1a5l n ASN 251 N -1.45 -5.64 -0.13 -1.43 3.02 -1.21 -4.89 115.26 103.51 1a5l n ASN 251 Ca 0.07 0.14 -0.09 0.00 -0.03 0.00 0.00 54.58 54.68 1a5l n ASN 251 Cb 0.28 -4.74 -0.00 0.00 -0.61 0.00 0.00 39.78 34.70 1a5l n ASN 251 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1a5l h GLU 252 N 0.00 0.57 -0.00 3.52 4.81 -1.90 -3.17 114.58 118.41 1a5l h GLU 252 Ca -0.46 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1a5l h GLU 252 Cb 1.34 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1a5l h GLU 252 CO 0.58 0.46 -0.74 -1.13 -0.73 0.00 0.00 179.01 177.45 1a5l n SER 253 N -4.72 1.19 0.00 1.04 3.41 -1.26 -5.05 113.62 108.22 1a5l n SER 253 Ca 0.00 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1a5l n SER 253 Cb 0.09 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 1a5l n SER 253 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a5l n GLY 254 N 1.47 -1.73 3.52 5.00 0.00 -1.20 -4.95 105.19 107.30 1a5l n GLY 254 Ca 0.06 -1.45 -0.19 0.00 0.00 0.00 0.00 46.02 44.44 1a5l n GLY 254 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a5l n PHE 255 N 1.48 -2.72 -0.30 1.61 3.72 -1.26 -4.20 117.46 115.78 1a5l n PHE 255 Ca 0.00 -1.73 0.13 0.00 -0.05 0.00 0.00 57.45 55.80 1a5l n PHE 255 Cb 0.00 -0.59 0.36 0.00 -0.94 0.00 0.00 39.48 38.31 1a5l n PHE 255 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 1a5l h VAL 256 N -0.31 0.79 0.00 -4.37 3.04 -1.92 -0.19 116.25 113.30 1a5l h VAL 256 Ca -0.28 -0.24 -0.02 0.00 -1.01 0.00 0.00 66.70 65.15 1a5l h VAL 256 Cb 1.11 0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 30.41 1a5l h VAL 256 CO 0.33 0.13 -0.09 1.05 -1.01 0.00 0.00 177.57 177.98 1a5l h GLU 257 N 0.71 0.00 0.01 4.17 9.09 -1.95 0.51 114.58 127.12 1a5l h GLU 257 Ca 0.49 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.66 1a5l h GLU 257 Cb 0.80 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.91 1a5l h GLU 257 CO -0.25 0.09 -0.99 -0.44 0.05 0.00 0.00 179.01 177.47 1a5l h ASP 258 N 0.00 0.63 0.23 3.06 3.32 -1.40 -1.72 116.42 120.54 1a5l h ASP 258 Ca -0.00 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1a5l h ASP 258 Cb 0.18 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1a5l h ASP 258 CO 0.01 1.32 -0.11 0.74 -1.72 0.00 0.00 179.24 179.48 1a5l h THR 259 N 0.26 0.83 -0.86 0.35 2.02 -0.95 -0.79 112.91 113.76 1a5l h THR 259 Ca -0.10 -0.35 0.10 0.00 0.77 0.00 0.00 66.41 66.83 1a5l h THR 259 Cb 1.64 1.03 -0.06 0.00 -1.74 0.00 0.00 68.15 69.02 1a5l h THR 259 CO 0.18 0.08 0.56 -0.07 0.37 0.00 0.00 175.52 176.64 1a5l h LEU 260 N -0.48 0.75 -0.57 2.58 3.38 -0.98 -0.09 115.31 119.90 1a5l h LEU 260 Ca -0.03 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1a5l h LEU 260 Cb 0.36 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1a5l h LEU 260 CO 0.05 0.44 -0.06 0.00 0.09 0.00 0.00 178.44 178.96 1a5l h ALA 261 N 1.57 0.77 -0.52 1.53 0.00 -1.05 -2.65 119.26 118.91 1a5l h ALA 261 Ca 0.40 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1a5l h ALA 261 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1a5l h ALA 261 CO -0.17 0.65 0.05 0.00 0.00 0.00 0.00 179.25 179.79 1a5l h ALA 262 N 0.95 1.12 -0.40 0.00 0.00 0.44 -2.03 119.26 119.34 1a5l h ALA 262 Ca 0.15 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1a5l h ALA 262 Cb 0.63 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1a5l h ALA 262 CO 0.04 0.57 0.26 0.82 0.00 0.00 0.00 179.25 180.95 1a5l h ILE 263 N 0.79 1.08 -6.06 0.00 2.04 -0.90 -3.41 117.51 111.06 1a5l h ILE 263 Ca 0.16 -0.17 -0.43 0.00 1.00 0.00 0.00 64.86 65.42 1a5l h ILE 263 Cb 0.40 0.53 0.06 0.00 -0.74 0.00 0.00 36.82 37.07 1a5l h ILE 263 CO 0.01 0.09 -0.73 0.61 0.00 0.00 0.00 178.15 178.14 1a5l n GLY 264 N -1.48 -0.50 2.55 5.37 0.00 -0.77 -2.28 105.19 108.08 1a5l n GLY 264 Ca 0.03 0.22 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 1a5l n GLY 264 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5l n GLY 265 N -1.81 0.37 3.86 -0.02 0.00 -1.26 -5.00 105.19 101.34 1a5l n GLY 265 Ca -0.01 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1a5l n GLY 265 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5l s ARG 266 N -1.45 3.89 0.20 1.61 0.52 -0.97 -4.72 118.95 118.03 1a5l s ARG 266 Ca 0.00 0.58 -0.32 0.00 -0.52 0.00 0.00 55.73 55.47 1a5l s ARG 266 Cb 0.00 -2.40 -0.12 0.00 0.52 0.00 0.00 34.95 32.94 1a5l s ARG 266 CO 0.00 0.05 1.69 2.41 0.02 0.00 0.00 175.30 179.46 1a5l n THR 267 N -0.86 0.03 -3.62 0.02 -1.04 -1.26 -4.75 114.28 102.80 1a5l n THR 267 Ca 0.03 -0.01 -0.15 0.00 -2.04 0.00 0.00 64.05 61.88 1a5l n THR 267 Cb 0.54 -1.88 -0.07 0.00 -1.82 0.00 0.00 70.33 67.10 1a5l n THR 267 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1a5l s ILE 268 N 1.07 0.00 -0.32 12.58 2.07 -0.74 -4.69 121.20 131.18 1a5l s ILE 268 Ca 0.76 -0.03 -0.14 0.00 -1.41 0.00 0.00 60.65 59.83 1a5l s ILE 268 Cb -0.55 -0.92 -0.03 0.00 0.13 0.00 0.00 42.46 41.10 1a5l s ILE 268 CO 0.34 -0.02 0.30 -2.28 -1.91 0.00 0.00 174.94 171.37 1a5l s HIS 269 N -0.26 3.22 -0.20 3.50 5.65 -0.51 -1.28 115.29 125.42 1a5l s HIS 269 Ca -0.04 0.04 -0.16 0.00 0.25 0.00 0.00 55.06 55.15 1a5l s HIS 269 Cb -0.03 -2.55 -0.04 0.00 -1.18 0.00 0.00 32.58 28.78 1a5l s HIS 269 CO 0.04 -0.32 0.42 0.95 -0.65 0.00 0.00 174.74 175.18 1a5l s THR 270 N 1.91 5.18 0.36 0.89 -4.23 -0.83 -0.92 115.64 118.00 1a5l s THR 270 Ca 0.10 0.75 -0.22 0.00 -1.18 0.00 0.00 61.69 61.14 1a5l s THR 270 Cb -0.16 -3.75 -0.10 0.00 1.34 0.00 0.00 72.50 69.82 1a5l s THR 270 CO 0.11 0.24 0.91 -0.36 -0.54 0.00 0.00 174.62 174.98 1a5l s PHE 271 N 1.38 3.49 -1.34 3.99 0.08 0.15 -2.38 117.98 123.35 1a5l s PHE 271 Ca 0.20 1.63 -0.19 0.00 0.12 0.00 0.00 56.93 58.69 1a5l s PHE 271 Cb -0.15 -2.84 0.03 0.00 -0.57 0.00 0.00 43.02 39.49 1a5l s PHE 271 CO 0.08 0.06 0.35 0.72 -0.10 0.00 0.00 175.22 176.34 1a5l n HIS 272 N -0.05 -1.28 0.23 0.36 8.25 -1.17 -4.78 115.22 116.78 1a5l n HIS 272 Ca 0.04 0.30 0.12 0.00 -0.26 0.00 0.00 57.72 57.92 1a5l n HIS 272 Cb 0.52 -2.70 0.67 0.00 1.12 0.00 0.00 29.99 29.60 1a5l n HIS 272 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1a5l h THR 273 N -2.15 0.00 0.00 1.59 2.02 -1.40 0.76 112.91 113.73 1a5l h THR 273 Ca -0.67 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 66.38 1a5l h THR 273 Cb 1.37 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1a5l h THR 273 CO 0.59 0.00 -0.60 -0.08 0.37 0.00 0.00 175.52 175.80 1a5l h GLU 274 N 0.00 0.00 0.00 6.66 4.22 -1.86 -2.43 114.58 121.16 1a5l h GLU 274 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1a5l h GLU 274 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1a5l h GLU 274 CO 0.00 0.60 0.00 0.41 -2.18 0.00 0.00 179.01 177.84 1a5l n GLY 275 N 0.59 3.17 0.26 1.92 0.00 0.26 -4.61 105.19 106.78 1a5l n GLY 275 Ca -0.00 -0.96 -0.07 0.00 0.00 0.00 0.00 46.02 44.99 1a5l n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5l n ALA 276 N 0.00 -0.40 0.33 4.61 0.00 -1.26 -0.01 120.51 123.78 1a5l n ALA 276 Ca 0.00 0.53 0.02 0.00 0.00 0.00 0.00 53.44 53.99 1a5l n ALA 276 Cb 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 19.45 19.56 1a5l n ALA 276 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5l n GLY 277 N -1.16 2.05 0.00 0.00 0.00 -1.26 -4.96 105.19 99.86 1a5l n GLY 277 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1a5l n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5l n GLY 278 N 0.21 4.32 0.00 -0.02 0.00 0.98 -4.95 105.19 105.72 1a5l n GLY 278 Ca 0.10 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1a5l n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5l n GLY 279 N -1.45 3.91 3.35 -0.02 0.00 -1.24 -4.28 105.19 105.47 1a5l n GLY 279 Ca 0.00 -1.67 -0.56 0.00 0.00 0.00 0.00 46.02 43.78 1a5l n GLY 279 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a5l n HIS 280 N -1.52 1.38 -2.09 1.61 8.25 -1.22 -4.09 115.22 117.53 1a5l n HIS 280 Ca 0.00 0.57 -0.42 0.00 -0.26 0.00 0.00 57.72 57.61 1a5l n HIS 280 Cb 0.00 -2.39 -0.03 0.00 1.12 0.00 0.00 29.99 28.69 1a5l n HIS 280 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a5l s ALA 281 N 6.39 3.57 -0.03 -1.41 0.00 -1.18 -2.23 121.76 126.86 1a5l s ALA 281 Ca 1.15 0.78 0.04 0.00 0.00 0.00 0.00 51.96 53.93 1a5l s ALA 281 Cb -1.23 -3.74 0.07 0.00 0.00 0.00 0.00 23.12 18.22 1a5l s ALA 281 CO 0.59 -1.45 0.92 -0.35 0.00 0.00 0.00 175.76 175.47 1a5l n PRO 282 N 7.14 1.60 -1.09 0.00 -0.04 -1.26 -4.96 135.00 136.38 1a5l n PRO 282 Ca 0.17 -1.47 -0.14 0.00 -0.04 0.00 0.00 63.50 62.02 1a5l n PRO 282 Cb 0.43 -0.95 0.23 0.00 -0.04 0.00 0.00 33.50 33.18 1a5l n PRO 282 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1a5l n ASP 283 N -0.55 4.06 0.24 3.54 5.75 -0.94 -4.39 116.55 124.27 1a5l n ASP 283 Ca 0.04 -3.46 0.09 0.00 -0.01 0.00 0.00 54.79 51.45 1a5l n ASP 283 Cb 0.45 -0.78 0.63 0.00 -1.03 0.00 0.00 41.12 40.39 1a5l n ASP 283 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1a5l h ILE 284 N 1.68 0.82 -0.28 2.12 6.09 -1.77 -2.29 117.51 123.88 1a5l h ILE 284 Ca 0.44 -0.60 0.08 0.00 -1.37 0.00 0.00 64.86 63.40 1a5l h ILE 284 Cb 2.51 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 41.15 1a5l h ILE 284 CO 0.87 0.15 0.33 -0.29 -3.07 0.00 0.00 178.15 176.14 1a5l h ILE 285 N 0.00 0.38 0.00 2.19 2.10 -1.64 -0.94 117.51 119.60 1a5l h ILE 285 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1a5l h ILE 285 Cb 0.34 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 1a5l h ILE 285 CO 0.02 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 177.80 1a5l h THR 286 N 0.00 0.00 -0.29 2.19 1.35 -1.69 -2.90 112.91 111.57 1a5l h THR 286 Ca 0.13 -0.14 0.03 0.00 -0.55 0.00 0.00 66.41 65.88 1a5l h THR 286 Cb 0.79 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 1a5l h THR 286 CO -0.00 0.00 0.20 0.00 -0.25 0.00 0.00 175.52 175.46 1a5l h ALA 287 N 2.09 1.95 0.00 6.62 0.00 -1.39 -2.42 119.26 126.11 1a5l h ALA 287 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a5l h ALA 287 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1a5l h ALA 287 CO 0.00 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1a5l n ALA 289 N -0.89 4.13 -2.54 0.00 0.00 -0.91 -4.19 120.51 116.10 1a5l n ALA 289 Ca 0.02 -0.56 -0.37 0.00 0.00 0.00 0.00 53.44 52.53 1a5l n ALA 289 Cb 0.01 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 1a5l n ALA 289 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1a5l s HIS 290 N -2.82 3.69 0.34 0.00 3.76 -0.13 -4.76 115.29 115.37 1a5l s HIS 290 Ca 0.13 0.92 0.06 0.00 -0.15 0.00 0.00 55.06 56.02 1a5l s HIS 290 Cb 0.17 -2.24 0.60 0.00 1.11 0.00 0.00 32.58 32.22 1a5l s HIS 290 CO 0.74 0.63 1.83 -1.00 -0.85 0.00 0.00 174.74 176.08 1a5l h PRO 291 N 4.56 0.36 -0.00 8.40 0.13 -1.93 -2.99 132.00 140.52 1a5l h PRO 291 Ca -0.51 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1a5l h PRO 291 Cb 1.22 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1a5l h PRO 291 CO 0.62 0.53 -0.16 0.27 -0.23 0.00 0.00 178.00 179.03 1a5l n ASN 292 N -4.20 0.53 -4.67 1.44 6.94 -1.26 -0.39 115.26 113.64 1a5l n ASN 292 Ca -0.00 -0.52 -0.38 0.00 -0.02 0.00 0.00 54.58 53.66 1a5l n ASN 292 Cb 0.33 -0.04 -0.08 0.00 -2.36 0.00 0.00 39.78 37.63 1a5l n ASN 292 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1a5l s ILE 293 N -2.56 5.23 -0.53 1.53 -1.09 -1.13 -1.79 121.20 120.86 1a5l s ILE 293 Ca 0.26 0.61 -0.06 0.00 -2.23 0.00 0.00 60.65 59.23 1a5l s ILE 293 Cb 0.20 -3.69 0.14 0.00 -1.58 0.00 0.00 42.46 37.53 1a5l s ILE 293 CO 0.50 0.27 0.37 -0.76 -1.23 0.00 0.00 174.94 174.10 1a5l s LEU 294 N 1.23 5.52 0.20 2.97 1.43 -0.40 -4.36 118.68 125.26 1a5l s LEU 294 Ca 0.17 -2.31 -0.20 0.00 -1.03 0.00 0.00 54.13 50.77 1a5l s LEU 294 Cb -0.14 -1.93 -0.08 0.00 0.03 0.00 0.00 46.19 44.07 1a5l s LEU 294 CO 0.07 -0.54 0.71 -2.16 0.23 0.00 0.00 176.35 174.66 1a5l s PRO 295 N 0.76 4.26 0.08 1.29 0.04 -1.26 -1.96 135.00 138.20 1a5l s PRO 295 Ca 0.11 0.86 0.01 0.00 0.04 0.00 0.00 61.00 62.02 1a5l s PRO 295 Cb -0.22 -2.94 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 1a5l s PRO 295 CO -0.03 0.43 -0.06 -1.54 0.04 0.00 0.00 177.00 175.84 1a5l s SER 296 N -1.57 0.98 0.14 6.66 1.04 -1.00 -1.72 113.70 118.22 1a5l s SER 296 Ca 0.41 -0.93 0.08 0.00 0.48 0.00 0.00 55.95 55.98 1a5l s SER 296 Cb -0.17 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 1a5l s SER 296 CO 0.21 -0.45 -0.17 -0.44 0.98 0.00 0.00 173.24 173.37 1a5l s SER 297 N -2.79 2.42 0.46 7.02 0.01 -0.64 -1.39 113.70 118.80 1a5l s SER 297 Ca 0.07 -0.80 0.05 0.00 1.31 0.00 0.00 55.95 56.58 1a5l s SER 297 Cb 0.03 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.15 1a5l s SER 297 CO -0.05 -0.05 0.65 0.42 0.41 0.00 0.00 173.24 174.62 1a5l s THR 298 N -1.84 3.07 0.02 1.44 -4.23 -1.26 -1.29 115.64 111.54 1a5l s THR 298 Ca 0.11 -0.83 0.13 0.00 -1.18 0.00 0.00 61.69 59.92 1a5l s THR 298 Cb -0.07 -3.08 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 1a5l s THR 298 CO 0.05 -0.04 1.46 -0.55 -0.54 0.00 0.00 174.62 174.99 1a5l h ASN 299 N 0.42 0.00 0.19 3.99 7.08 -1.53 -3.32 115.58 122.41 1a5l h ASN 299 Ca -0.42 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.80 1a5l h ASN 299 Cb 1.28 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.52 1a5l h ASN 299 CO 0.50 0.64 0.00 -0.81 -2.08 0.00 0.00 177.43 175.68 1a5l n PRO 300 N -3.36 0.13 0.00 4.14 -0.04 -1.26 -0.43 135.00 134.17 1a5l n PRO 300 Ca 0.01 0.55 0.08 0.00 -0.04 0.00 0.00 63.50 64.10 1a5l n PRO 300 Cb 0.75 -1.86 -0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1a5l n PRO 300 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1a5l n THR 301 N -2.13 0.00 -3.60 0.52 -2.24 -1.25 -4.92 114.28 100.67 1a5l n THR 301 Ca -0.00 -0.33 -0.40 0.00 -2.27 0.00 0.00 64.05 61.04 1a5l n THR 301 Cb 0.08 1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 69.38 1a5l n THR 301 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a5l s LEU 302 N -2.01 4.50 0.41 3.22 1.43 0.42 -3.08 118.68 123.58 1a5l s LEU 302 Ca 0.13 -0.73 0.08 0.00 -1.03 0.00 0.00 54.13 52.57 1a5l s LEU 302 Cb 0.12 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 1a5l s LEU 302 CO 0.40 -0.30 0.43 -2.16 0.23 0.00 0.00 176.35 174.95 1a5l s PRO 303 N 1.61 2.64 -0.39 1.29 0.04 -1.26 -4.78 135.00 134.16 1a5l s PRO 303 Ca 0.04 -1.43 -0.28 0.00 0.04 0.00 0.00 61.00 59.37 1a5l s PRO 303 Cb -0.18 -2.50 -0.08 0.00 0.04 0.00 0.00 34.50 31.78 1a5l s PRO 303 CO 0.07 -0.20 2.33 0.98 0.04 0.00 0.00 177.00 180.22 1a5l n TYR 304 N -1.63 1.62 -4.47 0.56 9.36 -1.18 -4.92 117.16 116.50 1a5l n TYR 304 Ca 0.05 0.05 -0.24 0.00 3.32 0.00 0.00 57.90 61.08 1a5l n TYR 304 Cb 0.61 -2.65 -0.04 0.00 -0.63 0.00 0.00 39.34 36.62 1a5l n TYR 304 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1a5l n THR 305 N 7.78 0.00 0.16 2.97 -2.24 -1.26 -2.30 114.28 119.39 1a5l n THR 305 Ca 0.36 -1.80 0.02 0.00 -2.27 0.00 0.00 64.05 60.37 1a5l n THR 305 Cb 0.44 0.29 0.37 0.00 -2.10 0.00 0.00 70.33 69.34 1a5l n THR 305 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1a5l h LEU 306 N 0.00 0.11 -0.86 3.22 3.38 -1.67 -3.29 115.31 116.20 1a5l h LEU 306 Ca -0.31 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1a5l h LEU 306 Cb 0.97 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1a5l h LEU 306 CO 0.52 0.38 -0.46 0.59 0.09 0.00 0.00 178.44 179.56 1a5l n ASN 307 N -4.19 1.77 0.00 -0.43 3.02 -1.26 -5.10 115.26 109.07 1a5l n ASN 307 Ca -0.02 -1.38 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 1a5l n ASN 307 Cb 0.34 0.52 0.00 0.00 -0.61 0.00 0.00 39.78 40.03 1a5l n ASN 307 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1a5l n THR 308 N -0.19 0.00 0.00 3.41 -1.04 -1.24 -5.24 114.28 109.98 1a5l n THR 308 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1a5l n THR 308 Cb 0.40 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 1a5l n THR 308 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1a5l n ARG 339 N 0.00 0.00 -0.04 -2.82 0.63 -1.26 -5.10 116.66 108.07 1a5l n ARG 339 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1a5l n ARG 339 Cb 0.00 -0.36 -0.03 0.00 0.45 0.00 0.00 32.46 32.52 1a5l n ARG 339 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1a5l h GLU 340 N 0.00 0.10 0.00 -0.14 3.07 -1.93 -1.69 114.58 113.99 1a5l h GLU 340 Ca 0.00 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.77 1a5l h GLU 340 Cb 0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1a5l h GLU 340 CO 0.00 0.06 -0.38 1.79 -1.40 0.00 0.00 179.01 179.08 1a5l h THR 341 N 0.10 1.25 -0.37 1.13 1.35 -1.92 -2.08 112.91 112.37 1a5l h THR 341 Ca 0.09 -1.33 -0.12 0.00 -0.55 0.00 0.00 66.41 64.50 1a5l h THR 341 Cb 0.09 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 1a5l h THR 341 CO -0.13 0.38 -0.25 0.40 -0.25 0.00 0.00 175.52 175.66 1a5l h ILE 342 N 0.00 1.27 -0.29 6.82 2.04 -1.77 -1.47 117.51 124.12 1a5l h ILE 342 Ca -0.00 -1.37 -0.16 0.00 1.00 0.00 0.00 64.86 64.33 1a5l h ILE 342 Cb 0.69 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1a5l h ILE 342 CO 0.05 0.46 -0.46 0.00 0.00 0.00 0.00 178.15 178.20 1a5l h ALA 343 N 1.06 0.66 -0.61 1.87 0.00 -0.98 -3.20 119.26 118.05 1a5l h ALA 343 Ca 0.09 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1a5l h ALA 343 Cb 0.77 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1a5l h ALA 343 CO 0.06 0.67 -0.00 0.00 0.00 0.00 0.00 179.25 179.98 1a5l h ALA 344 N 0.89 0.83 -0.60 0.00 0.00 -1.18 -3.24 119.26 115.97 1a5l h ALA 344 Ca 0.04 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 54.75 1a5l h ALA 344 Cb 1.02 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 1a5l h ALA 344 CO 0.10 0.67 0.03 1.49 0.00 0.00 0.00 179.25 181.55 1a5l h GLU 345 N 0.99 0.15 -0.96 0.00 4.81 -1.26 0.57 114.58 118.86 1a5l h GLU 345 Ca 0.17 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1a5l h GLU 345 Cb 0.57 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 1a5l h GLU 345 CO 0.03 0.10 0.64 -0.44 -0.73 0.00 0.00 179.01 178.61 1a5l h ASP 346 N 0.15 1.10 -0.04 1.04 5.19 -1.66 -1.01 116.42 121.20 1a5l h ASP 346 Ca 0.31 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.68 1a5l h ASP 346 Cb 0.50 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 1a5l h ASP 346 CO -0.48 0.79 -0.05 0.58 -3.12 0.00 0.00 179.24 176.95 1a5l h VAL 347 N 1.29 1.41 -0.27 -1.35 2.07 -1.37 -2.08 116.25 115.95 1a5l h VAL 347 Ca 0.36 -1.30 0.08 0.00 0.82 0.00 0.00 66.70 66.66 1a5l h VAL 347 Cb -0.12 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1a5l h VAL 347 CO -0.08 0.35 0.23 -0.07 0.02 0.00 0.00 177.57 178.01 1a5l h LEU 348 N -0.40 0.00 -0.04 2.57 3.38 -0.68 0.95 115.31 121.10 1a5l h LEU 348 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1a5l h LEU 348 Cb 0.59 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.35 1a5l h LEU 348 CO 0.01 0.00 -0.32 0.45 0.09 0.00 0.00 178.44 178.67 1a5l h HIS 349 N 0.00 0.39 -0.14 1.13 3.86 -1.04 0.24 115.15 119.60 1a5l h HIS 349 Ca 0.13 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 1a5l h HIS 349 Cb 0.58 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 1a5l h HIS 349 CO 0.00 0.95 0.06 0.22 0.86 0.00 0.00 177.93 180.02 1a5l h ASP 350 N -0.27 0.16 0.65 2.45 3.58 -0.23 -0.85 116.42 121.90 1a5l h ASP 350 Ca -0.03 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1a5l h ASP 350 Cb 1.01 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1a5l h ASP 350 CO 0.07 0.15 -0.33 0.18 -2.88 0.00 0.00 179.24 176.42 1a5l n LEU 351 N -4.48 0.35 0.00 2.28 4.77 0.11 -4.94 117.00 115.09 1a5l n LEU 351 Ca -0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1a5l n LEU 351 Cb 0.11 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1a5l n LEU 351 CO 0.35 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1a5l n GLY 352 N 1.49 0.56 0.09 -0.72 0.00 -0.33 -4.66 105.19 101.63 1a5l n GLY 352 Ca 0.06 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 1a5l n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5l h ALA 353 N 0.00 0.51 -3.20 4.61 0.00 -0.74 -2.44 119.26 118.00 1a5l h ALA 353 Ca 0.00 -0.75 -0.63 0.00 0.00 0.00 0.00 54.91 53.53 1a5l h ALA 353 Cb 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 17.52 1a5l h ALA 353 CO 0.00 1.00 -0.62 -0.06 0.00 0.00 0.00 179.25 179.58 1a5l s PHE 354 N -2.81 3.13 -0.07 0.00 0.40 -0.97 -4.82 117.98 112.83 1a5l s PHE 354 Ca 0.02 -0.19 0.22 0.00 -0.60 0.00 0.00 56.93 56.38 1a5l s PHE 354 Cb 0.09 -2.07 -0.29 0.00 0.51 0.00 0.00 43.02 41.25 1a5l s PHE 354 CO 0.79 -0.04 0.56 0.43 0.70 0.00 0.00 175.22 177.66 1a5l n SER 355 N 3.88 0.13 -4.16 1.36 7.64 -0.83 -4.69 113.62 116.95 1a5l n SER 355 Ca -0.17 0.03 -0.15 0.00 1.01 0.00 0.00 58.87 59.59 1a5l n SER 355 Cb 0.52 1.77 -0.11 0.00 -1.01 0.00 0.00 64.21 65.38 1a5l n SER 355 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a5l s LEU 356 N -4.61 2.37 -0.04 -3.43 1.02 -0.70 -4.24 118.68 109.05 1a5l s LEU 356 Ca -0.07 -0.75 0.05 0.00 0.02 0.00 0.00 54.13 53.38 1a5l s LEU 356 Cb 0.13 -0.31 -0.01 0.00 0.02 0.00 0.00 46.19 46.02 1a5l s LEU 356 CO 0.89 -0.23 -0.18 0.42 0.02 0.00 0.00 176.35 177.27 1a5l s THR 357 N -2.13 1.50 0.24 5.49 -4.23 -1.12 -1.61 115.64 113.78 1a5l s THR 357 Ca 0.02 -0.77 0.05 0.00 -1.18 0.00 0.00 61.69 59.81 1a5l s THR 357 Cb -0.05 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.49 1a5l s THR 357 CO 0.00 0.43 0.20 -1.54 -0.54 0.00 0.00 174.62 173.17 1a5l n SER 358 N 2.97 -0.51 -0.11 3.99 3.41 -0.42 -4.69 113.62 118.25 1a5l n SER 358 Ca -0.17 -2.56 -0.24 0.00 -0.26 0.00 0.00 58.87 55.64 1a5l n SER 358 Cb 0.53 1.20 -0.08 0.00 -0.26 0.00 0.00 64.21 65.60 1a5l n SER 358 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1a5l n SER 359 N -2.06 1.64 -1.93 4.04 3.41 -1.26 -1.93 113.62 115.53 1a5l n SER 359 Ca 0.06 0.28 -0.06 0.00 -0.26 0.00 0.00 58.87 58.89 1a5l n SER 359 Cb 0.43 -0.68 0.03 0.00 -0.26 0.00 0.00 64.21 63.73 1a5l n SER 359 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1a5l n ASP 360 N -4.06 -2.33 -4.67 4.04 2.03 -0.50 -3.67 116.55 107.39 1a5l n ASP 360 Ca -0.44 -0.23 -0.61 0.00 0.52 0.00 0.00 54.79 54.03 1a5l n ASP 360 Cb 0.80 -2.19 -0.08 0.00 -0.72 0.00 0.00 41.12 38.93 1a5l n ASP 360 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1a5l n SER 361 N -1.84 1.48 -1.89 1.67 3.41 -1.13 -1.55 113.62 113.78 1a5l n SER 361 Ca -0.09 1.14 -0.13 0.00 -0.26 0.00 0.00 58.87 59.53 1a5l n SER 361 Cb 0.56 -1.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 1a5l n SER 361 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a5l n GLN 362 N 3.86 -1.72 -2.71 4.33 6.02 -0.88 -4.05 117.38 122.24 1a5l n GLN 362 Ca 0.26 0.70 -0.05 0.00 -0.01 0.00 0.00 57.00 57.90 1a5l n GLN 362 Cb 0.06 -5.11 0.09 0.00 1.02 0.00 0.00 30.24 26.30 1a5l n GLN 362 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a5l n ALA 363 N -0.82 2.42 0.00 -1.58 0.00 -1.00 -4.90 120.51 114.62 1a5l n ALA 363 Ca -0.14 -1.88 0.00 0.00 0.00 0.00 0.00 53.44 51.42 1a5l n ALA 363 Cb 0.52 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1a5l n ALA 363 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a5l n MET 364 N -0.75 0.00 -3.47 0.00 2.81 -1.22 -4.97 117.12 109.51 1a5l n MET 364 Ca -0.03 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.76 1a5l n MET 364 Cb 0.84 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.33 1a5l n MET 364 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1a5l s GLY 365 N -2.00 -0.54 -0.33 3.03 0.00 -0.60 -4.32 107.32 102.57 1a5l s GLY 365 Ca 0.00 0.65 -0.07 0.00 0.00 0.00 0.00 44.72 45.30 1a5l s GLY 365 CO 0.00 0.21 0.10 0.50 0.00 0.00 0.00 173.10 173.92 1a5l s ARG 366 N -3.51 2.74 0.52 2.90 0.52 -1.25 -2.07 118.95 118.81 1a5l s ARG 366 Ca 0.03 -1.10 0.23 0.00 -0.52 0.00 0.00 55.73 54.37 1a5l s ARG 366 Cb -0.01 -3.45 1.34 0.00 0.52 0.00 0.00 34.95 33.35 1a5l s ARG 366 CO -0.10 -0.61 2.02 -0.24 0.02 0.00 0.00 175.30 176.38 1a5l h VAL 367 N 6.08 0.79 -0.68 3.52 3.04 -1.92 -1.22 116.25 125.88 1a5l h VAL 367 Ca -0.25 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1a5l h VAL 367 Cb 1.09 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 1a5l h VAL 367 CO 0.61 0.01 0.00 0.61 -1.01 0.00 0.00 177.57 177.78 1a5l n GLY 368 N -1.61 2.52 0.08 3.17 0.00 -1.26 -4.43 105.19 103.65 1a5l n GLY 368 Ca 0.08 -0.81 0.04 0.00 0.00 0.00 0.00 46.02 45.33 1a5l n GLY 368 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a5l n GLU 369 N 1.33 1.67 -0.10 1.61 1.02 -0.46 -4.78 120.64 120.93 1a5l n GLU 369 Ca 0.25 -1.77 -0.10 0.00 -0.02 0.00 0.00 57.16 55.52 1a5l n GLU 369 Cb 0.76 -1.09 -0.03 0.00 -0.02 0.00 0.00 31.44 31.06 1a5l n GLU 369 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1a5l h VAL 370 N 1.09 1.22 0.00 2.62 2.07 -1.77 -1.13 116.25 120.34 1a5l h VAL 370 Ca 0.00 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1a5l h VAL 370 Cb 0.85 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1a5l h VAL 370 CO 0.00 0.25 -0.00 0.40 0.02 0.00 0.00 177.57 178.23 1a5l h ILE 371 N 0.34 1.45 -0.55 4.57 2.04 -1.89 -2.84 117.51 120.63 1a5l h ILE 371 Ca 0.10 -1.35 0.11 0.00 1.00 0.00 0.00 64.86 64.72 1a5l h ILE 371 Cb 0.30 2.37 -0.09 0.00 -0.74 0.00 0.00 36.82 38.66 1a5l h ILE 371 CO 0.00 0.35 0.02 0.25 0.00 0.00 0.00 178.15 178.77 1a5l h LEU 372 N -0.58 -0.20 -0.96 1.44 6.46 -1.63 -1.34 115.31 118.49 1a5l h LEU 372 Ca -0.00 0.13 -0.10 0.00 -0.12 0.00 0.00 57.88 57.79 1a5l h LEU 372 Cb 0.58 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.72 1a5l h LEU 372 CO 0.00 -0.08 -0.46 0.03 -0.62 0.00 0.00 178.44 177.32 1a5l h ARG 373 N 0.13 0.00 -0.79 1.25 3.08 -1.27 -2.76 114.38 114.01 1a5l h ARG 373 Ca 0.28 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.29 1a5l h ARG 373 Cb 0.44 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 1a5l h ARG 373 CO -0.45 0.46 0.35 1.15 -1.07 0.00 0.00 179.97 180.40 1a5l h THR 374 N 0.00 1.26 0.00 2.04 2.02 -0.99 -2.12 112.91 115.11 1a5l h THR 374 Ca -0.00 -0.77 -0.11 0.00 0.77 0.00 0.00 66.41 66.30 1a5l h THR 374 Cb 0.91 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1a5l h THR 374 CO 0.06 0.32 -0.52 -0.50 0.37 0.00 0.00 175.52 175.25 1a5l h TRP 375 N 1.14 0.00 -0.48 3.16 4.06 -1.36 -2.39 115.95 120.07 1a5l h TRP 375 Ca 0.27 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.13 1a5l h TRP 375 Cb 0.17 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 1a5l h TRP 375 CO 0.02 0.52 -0.04 1.96 -3.56 0.00 0.00 178.44 177.33 1a5l h GLN 376 N 0.00 0.88 -0.09 0.49 4.20 -1.17 -0.41 115.11 119.00 1a5l h GLN 376 Ca -0.01 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 1a5l h GLN 376 Cb 1.22 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 1a5l h GLN 376 CO 0.07 0.94 0.04 0.28 -0.67 0.00 0.00 178.83 179.49 1a5l h VAL 377 N 0.73 1.12 -0.99 -0.54 2.07 -1.31 -0.77 116.25 116.56 1a5l h VAL 377 Ca 0.13 -0.34 0.10 0.00 0.82 0.00 0.00 66.70 67.41 1a5l h VAL 377 Cb 0.57 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.44 1a5l h VAL 377 CO 0.03 0.10 0.63 0.00 0.02 0.00 0.00 177.57 178.36 1a5l h ALA 378 N 0.92 1.50 0.21 1.67 0.00 -1.20 0.12 119.26 122.49 1a5l h ALA 378 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1a5l h ALA 378 Cb 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1a5l h ALA 378 CO -0.00 0.29 -0.10 1.25 0.00 0.00 0.00 179.25 180.68 1a5l h HIS 379 N 1.04 -0.27 -0.73 0.00 6.17 -0.80 -0.92 115.15 119.65 1a5l h HIS 379 Ca 0.46 -0.01 0.06 0.00 0.71 0.00 0.00 60.37 61.60 1a5l h HIS 379 Cb 0.37 0.09 -0.05 0.00 2.52 0.00 0.00 27.41 30.35 1a5l h HIS 379 CO -0.00 0.04 0.48 0.00 0.71 0.00 0.00 177.93 179.16 1a5l h ARG 380 N -0.59 0.76 -0.07 5.26 2.47 -0.53 -0.40 114.38 121.27 1a5l h ARG 380 Ca -0.03 -0.05 -0.21 0.00 -1.26 0.00 0.00 59.98 58.44 1a5l h ARG 380 Cb 0.43 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1a5l h ARG 380 CO 0.05 0.50 -0.81 0.52 0.56 0.00 0.00 179.97 180.79 1a5l h MET 381 N 0.78 0.50 0.27 0.04 2.86 -0.71 -0.83 114.93 117.85 1a5l h MET 381 Ca 0.31 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1a5l h MET 381 Cb 0.24 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1a5l h MET 381 CO -0.10 1.08 -0.13 -0.22 1.06 0.00 0.00 176.91 178.60 1a5l h LYS 382 N 0.33 -0.35 -0.55 1.72 3.64 -0.34 0.30 116.57 121.31 1a5l h LYS 382 Ca -0.05 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 1a5l h LYS 382 Cb 1.42 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 33.24 1a5l h LYS 382 CO 0.15 -0.16 0.11 0.28 -2.27 0.00 0.00 179.45 177.56 1a5l h VAL 383 N -0.47 0.68 0.18 2.00 2.07 -1.06 0.17 116.25 119.82 1a5l h VAL 383 Ca -0.04 -0.09 -0.28 0.00 0.82 0.00 0.00 66.70 67.12 1a5l h VAL 383 Cb 0.35 0.41 0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1a5l h VAL 383 CO 0.06 0.05 -1.31 1.56 0.02 0.00 0.00 177.57 177.95 1a5l h GLN 384 N 0.25 0.38 -0.00 1.57 4.20 -1.04 -3.40 115.11 117.06 1a5l h GLN 384 Ca 0.28 -0.65 0.00 0.00 0.06 0.00 0.00 58.65 58.35 1a5l h GLN 384 Cb 0.40 0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1a5l h GLN 384 CO -0.36 1.31 -0.64 0.54 -0.67 0.00 0.00 178.83 179.00 1a5l n ARG 385 N -3.87 1.66 0.00 1.46 1.74 0.10 -5.08 116.66 112.68 1a5l n ARG 385 Ca -0.19 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.65 1a5l n ARG 385 Cb 0.97 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 1a5l n ARG 385 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5l n GLY 386 N 1.32 -0.96 3.76 -0.13 0.00 0.58 -4.87 105.19 104.90 1a5l n GLY 386 Ca 0.04 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 1a5l n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5l s ALA 387 N -1.27 2.91 0.60 4.61 0.00 -1.26 -4.61 121.76 122.74 1a5l s ALA 387 Ca 0.00 1.16 -0.14 0.00 0.00 0.00 0.00 51.96 52.98 1a5l s ALA 387 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1a5l s ALA 387 CO 0.00 -1.04 1.03 -0.51 0.00 0.00 0.00 175.76 175.24 1a5l s LEU 388 N -3.26 3.38 0.65 0.00 1.43 -1.26 -4.92 118.68 114.70 1a5l s LEU 388 Ca 0.67 1.62 0.43 0.00 -1.03 0.00 0.00 54.13 55.82 1a5l s LEU 388 Cb -0.35 -4.50 2.26 0.00 0.03 0.00 0.00 46.19 43.62 1a5l s LEU 388 CO 0.42 -1.02 2.31 0.00 0.23 0.00 0.00 176.35 178.30 1a5l h ALA 389 N 0.12 1.00 0.00 4.21 0.00 -1.98 -1.68 119.26 120.93 1a5l h ALA 389 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1a5l h ALA 389 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1a5l h ALA 389 CO 0.59 0.00 -0.80 0.39 0.00 0.00 0.00 179.25 179.43 1a5l n GLU 390 N -3.09 0.17 -1.77 0.00 4.71 -1.26 -4.95 120.64 114.45 1a5l n GLU 390 Ca -0.02 0.01 -0.41 0.00 -0.01 0.00 0.00 57.16 56.73 1a5l n GLU 390 Cb 0.11 -1.57 0.00 0.00 -1.01 0.00 0.00 31.44 28.97 1a5l n GLU 390 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1a5l n GLU 391 N -1.80 2.61 -4.51 3.49 -0.58 -0.63 -4.93 120.64 114.30 1a5l n GLU 391 Ca 0.03 0.92 -0.21 0.00 -0.42 0.00 0.00 57.16 57.48 1a5l n GLU 391 Cb 0.39 -2.65 -0.15 0.00 -0.57 0.00 0.00 31.44 28.46 1a5l n GLU 391 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1a5l s THR 392 N -1.12 0.94 0.00 2.62 -1.32 -1.26 -4.98 115.64 110.52 1a5l s THR 392 Ca 0.54 -0.47 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 1a5l s THR 392 Cb -0.48 -0.81 0.00 0.00 -1.51 0.00 0.00 72.50 69.70 1a5l s THR 392 CO 0.63 0.28 0.00 0.61 -2.21 0.00 0.00 174.62 173.93 1a5l n GLY 393 N 3.08 -1.52 2.65 6.08 0.00 -1.26 -4.47 105.19 109.75 1a5l n GLY 393 Ca -0.17 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1a5l n GLY 393 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a5l n ASP 394 N -1.76 7.22 -3.42 1.61 -0.08 -1.26 -4.89 116.55 113.96 1a5l n ASP 394 Ca 0.00 -3.34 -0.12 0.00 -1.51 0.00 0.00 54.79 49.82 1a5l n ASP 394 Cb 0.00 -1.31 -0.04 0.00 2.34 0.00 0.00 41.12 42.11 1a5l n ASP 394 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1a5l s ASN 395 N -0.35 0.51 -0.24 1.67 6.03 -1.26 -5.02 114.94 116.28 1a5l s ASN 395 Ca 0.45 -1.29 0.13 0.00 -1.03 0.00 0.00 52.86 51.11 1a5l s ASN 395 Cb 0.16 0.66 0.56 0.00 -3.03 0.00 0.00 41.25 39.59 1a5l s ASN 395 CO -0.07 -1.30 1.50 0.47 -2.03 0.00 0.00 177.10 175.68 1a5l n ASP 396 N -1.11 3.58 -0.24 3.54 8.00 0.18 -4.77 116.55 125.74 1a5l n ASP 396 Ca -0.01 -3.29 0.04 0.00 0.71 0.00 0.00 54.79 52.24 1a5l n ASP 396 Cb 0.62 -0.61 0.14 0.00 -0.02 0.00 0.00 41.12 41.25 1a5l n ASP 396 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1a5l h ASN 397 N 1.65 -0.29 -0.18 -2.24 4.21 -1.90 -0.40 115.58 116.43 1a5l h ASN 397 Ca 0.12 0.18 -0.04 0.00 1.21 0.00 0.00 56.30 57.77 1a5l h ASN 397 Cb 1.67 0.31 -0.01 0.00 -1.12 0.00 0.00 38.32 39.17 1a5l h ASN 397 CO 0.36 -0.14 -0.04 0.15 -1.29 0.00 0.00 177.43 176.47 1a5l h PHE 398 N 0.12 0.38 -0.67 1.19 3.57 -1.91 -1.64 116.94 117.99 1a5l h PHE 398 Ca 0.38 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.86 1a5l h PHE 398 Cb 0.66 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 1a5l h PHE 398 CO -0.39 0.60 0.44 -0.09 -2.23 0.00 0.00 178.31 176.64 1a5l h ARG 399 N 0.06 0.69 -0.49 1.11 2.43 -1.77 -0.71 114.38 115.70 1a5l h ARG 399 Ca 0.05 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1a5l h ARG 399 Cb 0.47 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1a5l h ARG 399 CO 0.02 0.46 -0.07 0.28 -1.51 0.00 0.00 179.97 179.14 1a5l h VAL 400 N 0.71 1.27 -0.50 0.20 2.07 -0.84 -2.01 116.25 117.16 1a5l h VAL 400 Ca 0.28 -1.19 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 1a5l h VAL 400 Cb 0.20 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1a5l h VAL 400 CO -0.09 0.41 -0.11 0.11 0.02 0.00 0.00 177.57 177.92 1a5l h LYS 401 N 0.77 0.93 -0.56 1.57 1.57 -0.48 -1.08 116.57 119.28 1a5l h LYS 401 Ca 0.13 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 1a5l h LYS 401 Cb 0.62 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1a5l h LYS 401 CO 0.04 0.98 0.13 -0.09 -0.57 0.00 0.00 179.45 179.94 1a5l h ARG 402 N 0.83 0.91 0.02 3.15 2.43 -1.06 -2.75 114.38 117.91 1a5l h ARG 402 Ca 0.13 -0.22 -0.24 0.00 -0.81 0.00 0.00 59.98 58.84 1a5l h ARG 402 Cb 0.64 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1a5l h ARG 402 CO 0.04 0.85 -1.01 1.88 -1.51 0.00 0.00 179.97 180.23 1a5l h TYR 403 N 0.81 0.69 -0.13 2.20 -1.99 -1.30 -3.26 116.97 113.99 1a5l h TYR 403 Ca 0.18 -0.39 -0.10 0.00 2.00 0.00 0.00 58.73 60.41 1a5l h TYR 403 Cb 0.36 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 1a5l h TYR 403 CO 0.03 1.22 -0.38 0.97 -0.00 0.00 0.00 178.16 180.00 1a5l h ILE 404 N 0.24 1.30 0.00 -2.88 2.10 -1.24 -2.65 117.51 114.37 1a5l h ILE 404 Ca -0.10 -1.46 -0.01 0.00 1.08 0.00 0.00 64.86 64.37 1a5l h ILE 404 Cb 1.66 1.62 -0.00 0.00 -1.09 0.00 0.00 36.82 39.00 1a5l h ILE 404 CO 0.18 0.44 -0.04 0.00 -1.08 0.00 0.00 178.15 177.65 1a5l h ALA 405 N 1.36 1.79 -0.42 0.18 0.00 -1.53 -2.67 119.26 117.97 1a5l h ALA 405 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a5l h ALA 405 Cb 0.78 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1a5l h ALA 405 CO 0.06 0.05 0.28 0.87 0.00 0.00 0.00 179.25 180.50 1a5l h LYS 406 N 0.00 0.55 -0.20 0.00 1.57 -1.52 -1.88 116.57 115.09 1a5l h LYS 406 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1a5l h LYS 406 Cb 0.07 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1a5l h LYS 406 CO 0.00 0.37 0.00 2.48 -0.57 0.00 0.00 179.45 181.73 1a5l n TYR 407 N -4.47 0.29 0.00 -1.35 0.18 -1.02 -2.79 117.16 108.00 1a5l n TYR 407 Ca 0.03 -0.53 0.00 0.00 1.88 0.00 0.00 57.90 59.28 1a5l n TYR 407 Cb 0.06 -0.05 0.00 0.00 -0.38 0.00 0.00 39.34 38.97 1a5l n TYR 407 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1a5l n THR 408 N 0.02 0.00 -0.09 -3.48 -2.24 -1.13 -0.12 114.28 107.24 1a5l n THR 408 Ca 0.08 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.75 1a5l n THR 408 Cb 0.38 -0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 1a5l n THR 408 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1a5l h ILE 409 N 0.00 1.19 -1.01 2.28 6.09 -1.31 -3.02 117.51 121.74 1a5l h ILE 409 Ca 0.00 -0.60 0.01 0.00 -1.37 0.00 0.00 64.86 62.90 1a5l h ILE 409 Cb 0.00 1.07 -0.05 0.00 0.47 0.00 0.00 36.82 38.31 1a5l h ILE 409 CO 0.00 0.20 0.67 0.78 -3.07 0.00 0.00 178.15 176.73 1a5l h ASN 410 N 0.29 1.16 -0.09 2.19 2.35 -1.64 0.06 115.58 119.90 1a5l h ASN 410 Ca 0.09 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 1a5l h ASN 410 Cb 0.22 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1a5l h ASN 410 CO -0.00 0.83 -0.24 -0.65 -1.65 0.00 0.00 177.43 175.72 1a5l h PRO 411 N 1.36 0.52 -0.68 0.81 0.11 -1.76 -1.63 132.00 130.73 1a5l h PRO 411 Ca 0.37 -0.20 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 1a5l h PRO 411 Cb -0.15 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 30.90 1a5l h PRO 411 CO -0.08 0.72 0.21 0.00 -0.21 0.00 0.00 178.00 178.64 1a5l h ALA 412 N 1.28 0.90 -0.23 -0.75 0.00 -1.15 -2.50 119.26 116.81 1a5l h ALA 412 Ca 0.07 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 1a5l h ALA 412 Cb 0.67 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1a5l h ALA 412 CO 0.05 0.58 -0.60 -0.07 0.00 0.00 0.00 179.25 179.21 1a5l h LEU 413 N 1.00 0.86 -1.47 0.00 3.38 -0.82 -0.82 115.31 117.44 1a5l h LEU 413 Ca 0.22 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1a5l h LEU 413 Cb 0.30 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1a5l h LEU 413 CO -0.01 1.26 0.32 0.74 0.09 0.00 0.00 178.44 180.84 1a5l h THR 414 N 0.57 1.14 -0.53 0.22 2.02 -1.14 -2.97 112.91 112.22 1a5l h THR 414 Ca -0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1a5l h THR 414 Cb 1.19 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1a5l h THR 414 CO 0.12 0.14 0.00 1.41 0.37 0.00 0.00 175.52 177.56 1a5l n HIS 415 N -4.45 0.91 -2.86 3.16 8.25 -0.96 -4.85 115.22 114.42 1a5l n HIS 415 Ca 0.04 -0.56 -0.16 0.00 -0.26 0.00 0.00 57.72 56.78 1a5l n HIS 415 Cb 0.06 -0.10 0.03 0.00 1.12 0.00 0.00 29.99 31.10 1a5l n HIS 415 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a5l n GLY 416 N 0.90 -0.18 0.02 -1.41 0.00 -1.03 -4.72 105.19 98.76 1a5l n GLY 416 Ca 0.20 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 46.12 1a5l n GLY 416 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1a5l n ILE 417 N -4.18 0.82 0.74 -0.61 -5.35 -0.37 -2.12 119.36 108.29 1a5l n ILE 417 Ca -0.07 -0.86 0.07 0.00 -0.27 0.00 0.00 62.75 61.62 1a5l n ILE 417 Cb 0.58 0.55 0.38 0.00 -1.74 0.00 0.00 39.64 39.41 1a5l n ILE 417 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1a5l n ALA 418 N -0.45 1.87 0.38 -1.28 0.00 -0.88 -1.39 120.51 118.76 1a5l n ALA 418 Ca 0.01 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1a5l n ALA 418 Cb 0.35 -1.23 0.12 0.00 0.00 0.00 0.00 19.45 18.69 1a5l n ALA 418 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1a5l h HIS 419 N 0.00 0.00 0.00 0.00 2.07 -1.89 -3.39 115.15 111.94 1a5l h HIS 419 Ca 0.00 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.25 1a5l h HIS 419 Cb 0.09 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.03 1a5l h HIS 419 CO 0.00 0.00 -1.99 0.39 -3.07 0.00 0.00 177.93 173.26 1a5l n GLU 420 N -2.40 0.41 -2.22 5.12 -0.58 -0.49 -4.76 120.64 115.72 1a5l n GLU 420 Ca 0.02 0.13 -0.02 0.00 -0.42 0.00 0.00 57.16 56.87 1a5l n GLU 420 Cb 0.49 -1.26 -0.01 0.00 -0.57 0.00 0.00 31.44 30.08 1a5l n GLU 420 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1a5l n VAL 421 N -3.32 0.00 0.00 2.62 0.24 -0.84 -0.72 118.33 116.31 1a5l n VAL 421 Ca -0.32 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 1a5l n VAL 421 Cb 0.79 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.27 1a5l n VAL 421 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a5l n GLY 422 N 0.84 2.43 3.82 7.63 0.00 -1.26 -4.32 105.19 114.32 1a5l n GLY 422 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 1a5l n GLY 422 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a5l s SER 423 N -0.80 -0.15 -0.99 1.61 1.04 -1.26 -1.66 113.70 111.49 1a5l s SER 423 Ca 0.00 -0.64 -0.14 0.00 0.48 0.00 0.00 55.95 55.65 1a5l s SER 423 Cb 0.00 0.64 0.20 0.00 0.10 0.00 0.00 66.02 66.96 1a5l s SER 423 CO 0.00 -1.21 1.07 -0.63 0.98 0.00 0.00 173.24 173.45 1a5l s ILE 424 N -3.20 5.36 0.05 -1.02 1.01 -1.26 -4.92 121.20 117.21 1a5l s ILE 424 Ca 0.14 -2.49 0.02 0.00 0.00 0.00 0.00 60.65 58.32 1a5l s ILE 424 Cb -0.04 -4.67 -0.03 0.00 0.01 0.00 0.00 42.46 37.74 1a5l s ILE 424 CO 0.06 -1.31 -0.08 -1.61 0.00 0.00 0.00 174.94 172.00 1a5l s GLU 425 N 0.78 0.56 0.48 2.79 2.02 -1.26 -5.09 118.70 118.98 1a5l s GLU 425 Ca 0.30 -0.80 -0.24 0.00 0.02 0.00 0.00 54.97 54.24 1a5l s GLU 425 Cb -0.07 -0.32 -0.07 0.00 0.10 0.00 0.00 34.13 33.77 1a5l s GLU 425 CO -0.07 0.05 1.38 0.14 0.02 0.00 0.00 175.26 176.79 1a5l s VAL 426 N -1.49 2.16 0.00 2.63 -7.23 -1.26 -2.43 120.40 112.78 1a5l s VAL 426 Ca -0.08 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.22 1a5l s VAL 426 Cb -0.09 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 33.77 1a5l s VAL 426 CO 0.00 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 1a5l n GLY 427 N 0.63 2.18 3.88 2.32 0.00 0.76 -4.96 105.19 110.00 1a5l n GLY 427 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1a5l n GLY 427 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5l s LYS 428 N -0.51 3.72 0.24 1.61 1.02 -1.02 -4.74 119.74 120.06 1a5l s LYS 428 Ca 0.00 0.39 -0.31 0.00 0.02 0.00 0.00 55.97 56.06 1a5l s LYS 428 Cb 0.00 -2.41 -0.12 0.00 -0.52 0.00 0.00 37.83 34.79 1a5l s LYS 428 CO 0.00 -0.05 1.66 -0.11 -0.92 0.00 0.00 175.35 175.93 1a5l n LEU 429 N -1.46 4.11 -3.82 3.17 7.94 0.10 -0.16 117.00 126.88 1a5l n LEU 429 Ca 0.02 1.10 -0.42 0.00 -1.11 0.00 0.00 56.01 55.60 1a5l n LEU 429 Cb 0.54 -1.58 -0.03 0.00 0.53 0.00 0.00 43.42 42.89 1a5l n LEU 429 CO 0.49 0.14 2.33 0.00 -1.11 0.00 0.00 177.39 179.24 1a5l n ALA 430 N 3.13 4.27 -3.38 1.96 0.00 -0.30 -4.72 120.51 121.47 1a5l n ALA 430 Ca 0.13 -3.61 -0.45 0.00 0.00 0.00 0.00 53.44 49.51 1a5l n ALA 430 Cb 0.35 -3.58 -0.05 0.00 0.00 0.00 0.00 19.45 16.17 1a5l n ALA 430 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a5l s ASP 431 N 4.19 6.19 0.17 0.00 1.01 -1.26 -2.09 116.67 124.88 1a5l s ASP 431 Ca 0.53 -2.09 0.11 0.00 0.71 0.00 0.00 52.55 51.81 1a5l s ASP 431 Cb 0.12 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.86 1a5l s ASP 431 CO 0.02 -0.73 -0.23 -0.76 0.21 0.00 0.00 175.17 173.67 1a5l s LEU 432 N 1.11 2.46 -0.08 1.23 1.43 -0.75 -1.16 118.68 122.93 1a5l s LEU 432 Ca 0.08 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.40 1a5l s LEU 432 Cb -0.24 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 44.75 1a5l s LEU 432 CO -0.01 0.14 -0.09 -0.69 0.23 0.00 0.00 176.35 175.93 1a5l s VAL 433 N -1.46 0.98 -0.17 -1.59 1.01 0.31 -0.34 120.40 119.13 1a5l s VAL 433 Ca 0.19 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1a5l s VAL 433 Cb -0.09 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1a5l s VAL 433 CO 0.09 0.33 0.10 -0.69 0.00 0.00 0.00 175.10 174.93 1a5l s VAL 434 N 1.06 5.12 0.03 2.92 1.01 -0.15 -0.96 120.40 129.42 1a5l s VAL 434 Ca -0.08 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1a5l s VAL 434 Cb -0.14 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1a5l s VAL 434 CO -0.01 0.49 -0.13 0.26 0.00 0.00 0.00 175.10 175.71 1a5l s TRP 435 N 0.05 1.16 -0.01 5.22 0.52 0.11 -0.69 118.94 125.31 1a5l s TRP 435 Ca 0.08 -0.32 -0.21 0.00 0.02 0.00 0.00 56.10 55.67 1a5l s TRP 435 Cb -0.12 -0.71 -0.05 0.00 -1.15 0.00 0.00 33.47 31.44 1a5l s TRP 435 CO 0.00 0.02 0.60 0.45 0.02 0.00 0.00 176.95 178.03 1a5l s SER 436 N -0.91 6.97 0.38 2.95 0.15 -1.26 -0.35 113.70 121.63 1a5l s SER 436 Ca 0.02 1.16 0.19 0.00 0.70 0.00 0.00 55.95 58.02 1a5l s SER 436 Cb -0.07 -2.37 1.15 0.00 -1.71 0.00 0.00 66.02 63.02 1a5l s SER 436 CO 0.01 0.10 1.71 -0.65 1.20 0.00 0.00 173.24 175.60 1a5l h PRO 437 N 5.65 0.32 0.00 5.44 0.11 -1.92 -0.14 132.00 141.47 1a5l h PRO 437 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1a5l h PRO 437 Cb 1.20 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1a5l h PRO 437 CO 0.70 0.21 -0.03 0.00 -0.21 0.00 0.00 178.00 178.67 1a5l h ALA 438 N 1.68 1.04 -0.06 -0.75 0.00 -1.88 0.03 119.26 119.33 1a5l h ALA 438 Ca 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1a5l h ALA 438 Cb 1.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1a5l h ALA 438 CO -0.42 0.04 0.00 1.19 0.00 0.00 0.00 179.25 180.06 1a5l n PHE 439 N -3.18 0.13 -1.63 0.00 3.01 -0.11 -4.49 117.46 111.19 1a5l n PHE 439 Ca -0.01 -0.69 -0.47 0.00 1.01 0.00 0.00 57.45 57.29 1a5l n PHE 439 Cb 0.24 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.58 1a5l n PHE 439 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1a5l n PHE 440 N -0.69 1.78 0.00 1.38 7.35 -0.92 -1.29 117.46 125.07 1a5l n PHE 440 Ca 0.08 0.54 0.00 0.00 -0.76 0.00 0.00 57.45 57.31 1a5l n PHE 440 Cb 0.45 -2.38 0.00 0.00 0.35 0.00 0.00 39.48 37.90 1a5l n PHE 440 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1a5l n GLY 441 N 2.17 2.45 0.51 7.13 0.00 -1.26 -4.58 105.19 111.61 1a5l n GLY 441 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 1a5l n GLY 441 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a5l n VAL 442 N -1.92 1.34 -3.72 1.61 0.31 -0.41 -3.69 118.33 111.86 1a5l n VAL 442 Ca 0.00 0.22 -0.27 0.00 -0.01 0.00 0.00 64.34 64.28 1a5l n VAL 442 Cb 0.00 -1.99 -0.17 0.00 -0.91 0.00 0.00 33.84 30.77 1a5l n VAL 442 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1a5l s LYS 443 N -2.49 0.55 0.45 5.55 1.02 -0.80 -4.86 119.74 119.17 1a5l s LYS 443 Ca -0.17 -0.35 -0.24 0.00 0.02 0.00 0.00 55.97 55.24 1a5l s LYS 443 Cb 0.03 -2.03 -0.07 0.00 -0.52 0.00 0.00 37.83 35.24 1a5l s LYS 443 CO 0.24 -0.63 1.23 -2.14 -0.92 0.00 0.00 175.35 173.14 1a5l s PRO 444 N 1.91 3.75 -0.01 -1.68 0.02 -1.26 -4.69 135.00 133.04 1a5l s PRO 444 Ca -0.00 1.96 -0.04 0.00 0.02 0.00 0.00 61.00 62.94 1a5l s PRO 444 Cb -0.17 -2.51 -0.28 0.00 0.02 0.00 0.00 34.50 31.56 1a5l s PRO 444 CO -0.08 -0.61 0.80 0.00 -0.33 0.00 0.00 177.00 176.78 1a5l h ALA 445 N 2.20 0.27 -2.82 -1.55 0.00 -1.27 -3.41 119.26 112.69 1a5l h ALA 445 Ca -0.50 -1.14 -0.14 0.00 0.00 0.00 0.00 54.91 53.14 1a5l h ALA 445 Cb 1.25 0.34 -0.26 0.00 0.00 0.00 0.00 17.79 19.12 1a5l h ALA 445 CO 0.61 1.14 -0.33 0.99 0.00 0.00 0.00 179.25 181.65 1a5l s THR 446 N -2.61 -0.02 -0.26 0.00 2.01 -1.12 -4.14 115.64 109.50 1a5l s THR 446 Ca -0.11 0.06 0.02 0.00 0.31 0.00 0.00 61.69 61.97 1a5l s THR 446 Cb 0.07 -0.52 0.06 0.00 0.01 0.00 0.00 72.50 72.11 1a5l s THR 446 CO 0.85 0.02 -0.09 -0.69 -0.69 0.00 0.00 174.62 174.02 1a5l s VAL 447 N 0.80 2.34 -0.21 3.82 1.01 -0.82 -0.97 120.40 126.36 1a5l s VAL 447 Ca -0.05 -1.55 -0.10 0.00 0.00 0.00 0.00 61.98 60.28 1a5l s VAL 447 Cb -0.06 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1a5l s VAL 447 CO -0.06 -0.01 0.14 -0.63 0.00 0.00 0.00 175.10 174.54 1a5l s ILE 448 N 1.14 5.40 -0.21 2.22 1.01 0.53 -0.56 121.20 130.73 1a5l s ILE 448 Ca -0.07 0.19 -0.00 0.00 0.00 0.00 0.00 60.65 60.77 1a5l s ILE 448 Cb -0.20 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 38.82 1a5l s ILE 448 CO -0.05 0.42 -0.13 -0.54 0.00 0.00 0.00 174.94 174.63 1a5l s LYS 449 N 0.54 2.93 -1.13 2.79 1.02 0.11 -1.81 119.74 124.19 1a5l s LYS 449 Ca 0.08 -0.89 -0.04 0.00 0.02 0.00 0.00 55.97 55.14 1a5l s LYS 449 Cb -0.12 -2.77 0.03 0.00 -0.52 0.00 0.00 37.83 34.45 1a5l s LYS 449 CO -0.00 -0.29 0.22 0.41 -0.92 0.00 0.00 175.35 174.77 1a5l n GLY 450 N 4.64 -0.50 0.00 -3.33 0.00 -0.89 -1.72 105.19 103.39 1a5l n GLY 450 Ca -0.19 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1a5l n GLY 450 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5l n GLY 451 N -0.98 1.08 3.27 -0.02 0.00 -1.13 -4.29 105.19 103.12 1a5l n GLY 451 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 1a5l n GLY 451 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a5l s MET 452 N -0.74 1.35 0.04 1.61 -1.94 -0.70 -4.97 119.30 113.95 1a5l s MET 452 Ca 0.00 -1.02 -0.30 0.00 -1.71 0.00 0.00 55.69 52.65 1a5l s MET 452 Cb 0.00 -1.52 -0.07 0.00 2.01 0.00 0.00 34.83 35.26 1a5l s MET 452 CO 0.00 0.38 1.47 0.42 -0.01 0.00 0.00 175.02 177.27 1a5l s ILE 453 N -0.90 3.45 -0.21 2.53 1.01 -1.26 0.09 121.20 125.91 1a5l s ILE 453 Ca 0.08 0.90 0.07 0.00 0.00 0.00 0.00 60.65 61.70 1a5l s ILE 453 Cb -0.09 -3.58 -0.21 0.00 0.01 0.00 0.00 42.46 38.59 1a5l s ILE 453 CO 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 174.94 174.97 1a5l n ALA 454 N 5.17 1.41 -3.30 9.38 0.00 0.27 -1.34 120.51 132.10 1a5l n ALA 454 Ca 0.14 -1.12 -0.15 0.00 0.00 0.00 0.00 53.44 52.31 1a5l n ALA 454 Cb 0.43 -0.23 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 1a5l n ALA 454 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1a5l s ILE 455 N -2.52 0.04 -0.10 0.00 2.07 -1.20 -0.40 121.20 119.08 1a5l s ILE 455 Ca -0.23 -0.32 -0.32 0.00 -1.41 0.00 0.00 60.65 58.37 1a5l s ILE 455 Cb 0.08 -0.83 0.12 0.00 0.13 0.00 0.00 42.46 41.96 1a5l s ILE 455 CO 0.71 -0.18 1.08 0.00 -1.91 0.00 0.00 174.94 174.64 1a5l s ALA 456 N -1.65 -1.97 0.30 1.50 0.00 -1.19 -1.94 121.76 116.81 1a5l s ALA 456 Ca -0.10 1.32 -0.29 0.00 0.00 0.00 0.00 51.96 52.88 1a5l s ALA 456 Cb -0.02 0.13 -0.10 0.00 0.00 0.00 0.00 23.12 23.12 1a5l s ALA 456 CO 0.04 -0.65 1.35 -2.14 0.00 0.00 0.00 175.76 174.36 1a5l s PRO 457 N -2.72 4.32 -0.07 0.00 0.02 -1.26 -2.56 135.00 132.73 1a5l s PRO 457 Ca 0.08 2.24 -0.03 0.00 0.02 0.00 0.00 61.00 63.31 1a5l s PRO 457 Cb -0.01 -3.09 0.04 0.00 0.02 0.00 0.00 34.50 31.46 1a5l s PRO 457 CO -0.06 -0.28 0.16 1.41 -0.33 0.00 0.00 177.00 177.90 1a5l s MET 458 N -1.22 0.11 0.35 5.54 1.75 -0.31 -4.91 119.30 120.61 1a5l s MET 458 Ca 0.53 0.39 -0.03 0.00 -1.25 0.00 0.00 55.69 55.33 1a5l s MET 458 Cb -0.40 -0.17 0.08 0.00 2.84 0.00 0.00 34.83 37.17 1a5l s MET 458 CO 0.49 -0.16 0.48 0.41 -0.65 0.00 0.00 175.02 175.58 1a5l n GLY 459 N 4.20 -0.27 2.48 2.11 0.00 -0.28 -2.34 105.19 111.10 1a5l n GLY 459 Ca -0.26 -1.84 -0.45 0.00 0.00 0.00 0.00 46.02 43.47 1a5l n GLY 459 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a5l n ASP 460 N -3.15 0.73 0.22 1.61 -0.08 -0.21 -4.85 116.55 110.82 1a5l n ASP 460 Ca 0.07 0.70 0.05 0.00 -1.51 0.00 0.00 54.79 54.10 1a5l n ASP 460 Cb 0.24 -0.62 0.50 0.00 2.34 0.00 0.00 41.12 43.58 1a5l n ASP 460 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1a5l h ILE 461 N 3.97 1.14 -0.18 5.18 1.08 -1.92 -2.34 117.51 124.44 1a5l h ILE 461 Ca -0.22 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.60 1a5l h ILE 461 Cb 0.97 1.34 0.00 0.00 -3.07 0.00 0.00 36.82 36.06 1a5l h ILE 461 CO 0.71 0.18 0.00 -3.20 -0.69 0.00 0.00 178.15 175.15 1a5l n ASN 462 N -4.32 2.16 -4.83 1.72 5.15 -1.26 -4.97 115.26 108.90 1a5l n ASN 462 Ca -0.02 -1.77 -0.30 0.00 -0.60 0.00 0.00 54.58 51.89 1a5l n ASN 462 Cb 0.25 -0.11 0.08 0.00 -0.53 0.00 0.00 39.78 39.47 1a5l n ASN 462 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a5l s ALA 463 N -1.78 2.45 -1.41 5.20 0.00 -0.88 -4.95 121.76 120.39 1a5l s ALA 463 Ca 0.34 -0.28 0.29 0.00 0.00 0.00 0.00 51.96 52.32 1a5l s ALA 463 Cb 0.19 -3.07 1.46 0.00 0.00 0.00 0.00 23.12 21.70 1a5l s ALA 463 CO 0.29 -1.56 2.01 -1.13 0.00 0.00 0.00 175.76 175.37 1a5l n SER 464 N -3.30 0.00 -3.82 0.00 3.41 -1.26 -4.80 113.62 103.84 1a5l n SER 464 Ca 0.07 -0.11 -0.09 0.00 -0.26 0.00 0.00 58.87 58.48 1a5l n SER 464 Cb 0.57 -0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 1a5l n SER 464 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1a5l s ILE 465 N -2.59 0.10 -2.16 -1.33 -4.36 -1.26 -5.06 121.20 104.54 1a5l s ILE 465 Ca 0.27 -1.07 0.22 0.00 -0.26 0.00 0.00 60.65 59.81 1a5l s ILE 465 Cb 0.20 -1.44 0.55 0.00 1.25 0.00 0.00 42.46 43.01 1a5l s ILE 465 CO 0.45 -0.45 1.71 -0.81 0.24 0.00 0.00 174.94 176.08 1a5l n PRO 466 N -0.16 1.34 0.08 0.37 -0.04 -1.26 -4.20 135.00 131.13 1a5l n PRO 466 Ca -0.13 -0.51 0.09 0.00 -0.04 0.00 0.00 63.50 62.91 1a5l n PRO 466 Cb 0.63 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.68 1a5l n PRO 466 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1a5l n THR 467 N -0.30 0.66 -1.75 0.52 -2.24 -1.26 -1.12 114.28 108.78 1a5l n THR 467 Ca 0.16 -0.57 -0.38 0.00 -2.27 0.00 0.00 64.05 60.99 1a5l n THR 467 Cb 0.20 -0.37 0.05 0.00 -2.10 0.00 0.00 70.33 68.11 1a5l n THR 467 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1a5l s PRO 468 N -3.29 2.88 0.75 -0.78 0.02 -1.26 -4.77 135.00 128.54 1a5l s PRO 468 Ca -0.02 2.18 -0.12 0.00 0.02 0.00 0.00 61.00 63.06 1a5l s PRO 468 Cb 0.10 -2.08 0.05 0.00 0.02 0.00 0.00 34.50 32.59 1a5l s PRO 468 CO 0.81 -1.38 1.11 -0.65 -0.33 0.00 0.00 177.00 176.57 1a5l s GLN 469 N -3.11 2.26 -0.04 5.54 -1.52 -1.26 -1.04 119.66 120.49 1a5l s GLN 469 Ca 0.76 1.33 -0.27 0.00 -1.95 0.00 0.00 55.36 55.23 1a5l s GLN 469 Cb -0.40 -1.89 -0.03 0.00 -0.22 0.00 0.00 33.01 30.48 1a5l s GLN 469 CO 0.45 -1.66 0.88 -1.25 -0.25 0.00 0.00 175.29 173.45 1a5l s PRO 470 N -4.55 4.49 -0.24 2.91 0.04 -1.26 -4.17 135.00 132.22 1a5l s PRO 470 Ca 0.65 1.21 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1a5l s PRO 470 Cb -0.20 -3.47 -0.05 0.00 0.04 0.00 0.00 34.50 30.83 1a5l s PRO 470 CO 0.51 -0.05 0.22 0.08 0.04 0.00 0.00 177.00 177.80 1a5l s VAL 471 N 1.08 5.31 0.16 -0.36 1.01 -1.26 -3.68 120.40 122.67 1a5l s VAL 471 Ca 0.46 0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.60 1a5l s VAL 471 Cb -0.19 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1a5l s VAL 471 CO 0.23 0.31 0.42 -1.38 0.00 0.00 0.00 175.10 174.68 1a5l s HIS 472 N 1.20 -0.01 0.08 5.22 -3.43 -0.99 -4.86 115.29 112.49 1a5l s HIS 472 Ca 0.10 -0.33 -0.31 0.00 -0.80 0.00 0.00 55.06 53.72 1a5l s HIS 472 Cb -0.14 0.23 -0.07 0.00 -1.43 0.00 0.00 32.58 31.17 1a5l s HIS 472 CO 0.06 -0.80 1.40 0.71 -2.00 0.00 0.00 174.74 174.11 1a5l s TYR 473 N -3.87 3.11 0.03 0.38 1.51 -1.26 -1.17 117.35 116.07 1a5l s TYR 473 Ca 0.09 0.90 0.02 0.00 -1.01 0.00 0.00 57.07 57.07 1a5l s TYR 473 Cb 0.01 -3.68 -0.02 0.00 -0.11 0.00 0.00 41.96 38.16 1a5l s TYR 473 CO -0.05 -2.44 -0.07 1.03 -1.11 0.00 0.00 175.55 172.91 1a5l s ARG 474 N 1.50 0.50 0.47 -0.62 0.52 -1.06 -4.95 118.95 115.31 1a5l s ARG 474 Ca 0.65 -0.55 -0.24 0.00 -0.52 0.00 0.00 55.73 55.07 1a5l s ARG 474 Cb -0.35 -0.35 -0.07 0.00 0.52 0.00 0.00 34.95 34.69 1a5l s ARG 474 CO 0.29 0.08 1.35 -2.14 0.02 0.00 0.00 175.30 174.90 1a5l s PRO 475 N -1.03 3.61 0.01 3.54 0.02 -1.26 -3.19 135.00 136.69 1a5l s PRO 475 Ca -0.05 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.21 1a5l s PRO 475 Cb -0.07 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.91 1a5l s PRO 475 CO 0.00 -0.82 0.00 -1.33 -0.33 0.00 0.00 177.00 174.53 1a5l n MET 476 N -0.38 1.86 0.28 5.54 2.81 0.46 -4.94 117.12 122.75 1a5l n MET 476 Ca 0.06 -0.08 0.12 0.00 -1.81 0.00 0.00 57.70 56.00 1a5l n MET 476 Cb 0.44 0.02 0.80 0.00 -0.71 0.00 0.00 33.22 33.76 1a5l n MET 476 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 1a5l h PHE 477 N 0.89 0.00 0.00 2.03 0.04 -1.84 -0.95 116.94 117.12 1a5l h PHE 477 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1a5l h PHE 477 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1a5l h PHE 477 CO 0.00 0.01 0.00 0.41 -0.60 0.00 0.00 178.31 178.13 1a5l n GLY 478 N -1.39 -1.11 0.86 -1.45 0.00 -0.45 -2.33 105.19 99.33 1a5l n GLY 478 Ca -0.03 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1a5l n GLY 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5l n ALA 479 N -1.55 2.39 -2.67 4.61 0.00 -0.36 -3.78 120.51 119.14 1a5l n ALA 479 Ca 0.04 -0.90 -0.37 0.00 0.00 0.00 0.00 53.44 52.20 1a5l n ALA 479 Cb 0.20 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 1a5l n ALA 479 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a5l s LEU 480 N -1.29 4.42 0.00 0.00 1.43 -0.98 -4.78 118.68 117.47 1a5l s LEU 480 Ca 0.28 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 1a5l s LEU 480 Cb 0.17 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1a5l s LEU 480 CO 0.24 0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.77 1a5l n GLY 481 N 2.01 0.00 0.19 -3.19 0.00 -1.26 -0.36 105.19 102.58 1a5l n GLY 481 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.90 1a5l n GLY 481 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a5l h SER 482 N 0.00 0.00 -0.63 1.61 0.02 -1.96 -2.77 113.55 109.82 1a5l h SER 482 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1a5l h SER 482 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1a5l h SER 482 CO 0.00 0.36 0.05 0.00 -1.14 0.00 0.00 176.83 176.11 1a5l h ALA 483 N 1.64 0.89 0.17 3.77 0.00 -1.49 -2.59 119.26 121.64 1a5l h ALA 483 Ca -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1a5l h ALA 483 Cb 0.69 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1a5l h ALA 483 CO 0.05 0.67 -0.11 -0.09 0.00 0.00 0.00 179.25 179.77 1a5l h ARG 484 N 1.00 -0.27 -0.96 0.00 2.43 -0.42 -2.23 114.38 113.93 1a5l h ARG 484 Ca 0.19 0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.54 1a5l h ARG 484 Cb 0.50 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.01 1a5l h ARG 484 CO 0.02 -0.18 0.56 0.45 -1.51 0.00 0.00 179.97 179.31 1a5l h HIS 485 N -0.28 0.99 0.00 2.20 3.86 -1.39 0.40 115.15 120.94 1a5l h HIS 485 Ca -0.01 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1a5l h HIS 485 Cb 0.23 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1a5l h HIS 485 CO -0.09 0.25 0.00 1.25 0.86 0.00 0.00 177.93 180.20 1a5l h HIS 486 N 0.76 0.00 -0.22 2.45 -0.00 -1.05 -2.84 115.15 114.25 1a5l h HIS 486 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.90 1a5l h HIS 486 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.17 1a5l h HIS 486 CO -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 177.90 1a5l s ARG 488 N -1.07 1.37 -0.01 0.00 1.70 -0.74 -3.35 118.95 116.85 1a5l s ARG 488 Ca 0.22 -1.62 0.06 0.00 -0.47 0.00 0.00 55.73 53.92 1a5l s ARG 488 Cb 0.13 -1.16 -0.02 0.00 -0.57 0.00 0.00 34.95 33.33 1a5l s ARG 488 CO 0.18 0.18 -0.21 -0.51 -1.08 0.00 0.00 175.30 173.86 1a5l s LEU 489 N -3.34 2.05 -0.25 -1.89 1.43 -1.26 -2.90 118.68 112.52 1a5l s LEU 489 Ca 0.24 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 1a5l s LEU 489 Cb -0.01 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 1a5l s LEU 489 CO 0.08 0.25 0.02 -0.89 0.23 0.00 0.00 176.35 176.04 1a5l s THR 490 N -0.51 3.77 0.01 5.49 2.01 -0.33 -1.80 115.64 124.29 1a5l s THR 490 Ca 0.08 -0.45 -0.25 0.00 0.31 0.00 0.00 61.69 61.37 1a5l s THR 490 Cb -0.08 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 1a5l s THR 490 CO -0.01 0.32 0.79 -0.36 -0.69 0.00 0.00 174.62 174.67 1a5l s PHE 491 N 1.52 3.69 0.23 4.92 0.08 0.16 -2.19 117.98 126.40 1a5l s PHE 491 Ca 0.05 1.46 0.10 0.00 0.12 0.00 0.00 56.93 58.66 1a5l s PHE 491 Cb -0.15 -2.87 -0.05 0.00 -0.57 0.00 0.00 43.02 39.38 1a5l s PHE 491 CO 0.00 0.19 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.62 1a5l s LEU 492 N 0.30 2.54 0.58 -0.37 1.43 0.06 -4.60 118.68 118.63 1a5l s LEU 492 Ca 0.40 -0.99 -0.14 0.00 -1.03 0.00 0.00 54.13 52.37 1a5l s LEU 492 Cb -0.20 -0.90 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 1a5l s LEU 492 CO 0.23 -0.04 1.02 -0.94 0.23 0.00 0.00 176.35 176.84 1a5l s SER 493 N -3.25 6.18 0.33 2.29 1.04 -1.25 -2.12 113.70 116.93 1a5l s SER 493 Ca 0.24 1.60 0.07 0.00 0.48 0.00 0.00 55.95 58.34 1a5l s SER 493 Cb -0.04 -2.50 0.74 0.00 0.10 0.00 0.00 66.02 64.32 1a5l s SER 493 CO 0.10 -0.90 1.86 1.56 0.98 0.00 0.00 173.24 176.85 1a5l h GLN 494 N 0.31 0.76 0.07 4.02 4.20 -1.82 -2.04 115.11 120.60 1a5l h GLN 494 Ca -0.46 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.20 1a5l h GLN 494 Cb 1.20 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1a5l h GLN 494 CO 0.60 0.50 -0.03 0.00 -0.67 0.00 0.00 178.83 179.23 1a5l h ALA 495 N 1.58 -0.09 -0.80 3.87 0.00 -1.87 -1.61 119.26 120.35 1a5l h ALA 495 Ca 0.46 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.33 1a5l h ALA 495 Cb 0.65 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1a5l h ALA 495 CO -0.22 -0.45 0.48 0.00 0.00 0.00 0.00 179.25 179.05 1a5l h ALA 496 N 0.63 1.10 -0.26 0.00 0.00 -1.59 0.29 119.26 119.44 1a5l h ALA 496 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a5l h ALA 496 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1a5l h ALA 496 CO 0.01 0.19 0.16 0.00 0.00 0.00 0.00 179.25 179.61 1a5l h ALA 497 N 1.40 0.32 -0.66 0.00 0.00 -1.23 -2.02 119.26 117.07 1a5l h ALA 497 Ca 0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1a5l h ALA 497 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1a5l h ALA 497 CO -0.19 -0.22 0.27 0.00 0.00 0.00 0.00 179.25 179.11 1a5l h ALA 498 N 1.10 0.86 0.00 0.00 0.00 -0.56 -2.49 119.26 118.17 1a5l h ALA 498 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1a5l h ALA 498 Cb -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1a5l h ALA 498 CO -0.03 0.47 0.00 0.09 0.00 0.00 0.00 179.25 179.78 1a5l n ASN 499 N -4.41 0.00 -0.68 0.00 3.02 0.02 -4.86 115.26 108.35 1a5l n ASN 499 Ca 0.05 -0.04 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 1a5l n ASN 499 Cb 0.17 -0.21 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 1a5l n ASN 499 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a5l n GLY 500 N -0.16 0.19 0.33 7.41 0.00 -0.94 -4.94 105.19 107.09 1a5l n GLY 500 Ca 0.07 -0.64 0.05 0.00 0.00 0.00 0.00 46.02 45.50 1a5l n GLY 500 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a5l h VAL 501 N 0.00 0.91 -0.90 1.61 2.07 -1.59 -1.71 116.25 116.65 1a5l h VAL 501 Ca -0.14 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1a5l h VAL 501 Cb 1.04 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1a5l h VAL 501 CO 0.17 0.16 0.54 0.00 0.02 0.00 0.00 177.57 178.46 1a5l h ALA 502 N 1.49 1.14 -0.05 1.67 0.00 -1.89 0.25 119.26 121.87 1a5l h ALA 502 Ca 0.44 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 55.05 1a5l h ALA 502 Cb 0.41 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1a5l h ALA 502 CO -0.26 0.61 -0.79 0.93 0.00 0.00 0.00 179.25 179.74 1a5l h GLU 503 N 1.24 0.38 -0.17 0.00 3.07 -1.71 -0.76 114.58 116.62 1a5l h GLU 503 Ca 0.32 -0.34 -0.10 0.00 -0.50 0.00 0.00 59.36 58.74 1a5l h GLU 503 Cb -0.04 0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1a5l h GLU 503 CO -0.06 1.00 -0.29 -0.09 -1.40 0.00 0.00 179.01 178.17 1a5l h ARG 504 N 0.24 0.51 0.00 2.33 2.43 -1.02 -2.97 114.38 115.89 1a5l h ARG 504 Ca -0.04 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1a5l h ARG 504 Cb 1.39 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1a5l h ARG 504 CO 0.13 0.91 0.00 1.28 -1.51 0.00 0.00 179.97 180.79 1a5l n LEU 505 N -4.37 0.20 -3.26 3.80 4.77 0.05 -4.92 117.00 113.28 1a5l n LEU 505 Ca -0.06 0.52 -0.18 0.00 -0.03 0.00 0.00 56.01 56.26 1a5l n LEU 505 Cb 0.47 -0.46 0.08 0.00 -2.33 0.00 0.00 43.42 41.18 1a5l n LEU 505 CO 0.43 -0.07 0.15 -3.20 -1.33 0.00 0.00 177.39 173.36 1a5l n ASN 506 N -1.69 -3.50 -4.72 -1.43 2.85 -0.53 -4.94 115.26 101.29 1a5l n ASN 506 Ca 0.06 -0.54 -0.42 0.00 -0.11 0.00 0.00 54.58 53.58 1a5l n ASN 506 Cb 0.35 -4.69 -0.03 0.00 1.24 0.00 0.00 39.78 36.64 1a5l n ASN 506 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1a5l s LEU 507 N -6.27 4.38 0.12 1.20 1.02 -0.40 -4.96 118.68 113.77 1a5l s LEU 507 Ca 0.20 2.28 0.19 0.00 0.02 0.00 0.00 54.13 56.82 1a5l s LEU 507 Cb -0.09 -3.59 -0.08 0.00 0.02 0.00 0.00 46.19 42.45 1a5l s LEU 507 CO 0.67 -0.59 0.92 0.03 0.02 0.00 0.00 176.35 177.40 1a5l h ARG 508 N 6.47 0.00 -7.54 1.70 -0.00 -1.92 -3.47 114.38 109.63 1a5l h ARG 508 Ca -0.43 0.00 -0.48 0.00 -0.50 0.00 0.00 59.98 58.58 1a5l h ARG 508 Cb 1.21 0.00 0.10 0.00 0.00 0.00 0.00 29.97 31.28 1a5l h ARG 508 CO 0.83 0.18 0.39 -1.12 0.00 0.00 0.00 179.97 180.26 1a5l s SER 509 N -5.64 4.65 0.71 7.04 0.01 -1.26 -4.73 113.70 114.47 1a5l s SER 509 Ca -0.02 0.96 -0.14 0.00 1.31 0.00 0.00 55.95 58.06 1a5l s SER 509 Cb 0.09 -1.58 0.02 0.00 0.21 0.00 0.00 66.02 64.76 1a5l s SER 509 CO 0.80 -1.83 1.13 0.00 0.41 0.00 0.00 173.24 173.75 1a5l s ALA 510 N -3.43 2.30 0.04 1.44 0.00 -1.08 -4.84 121.76 116.20 1a5l s ALA 510 Ca 0.61 0.58 0.09 0.00 0.00 0.00 0.00 51.96 53.24 1a5l s ALA 510 Cb -0.12 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1a5l s ALA 510 CO 0.51 -1.56 -0.24 0.42 0.00 0.00 0.00 175.76 174.89 1a5l s ILE 511 N -2.36 2.33 0.01 0.00 -1.09 -1.26 -1.18 121.20 117.65 1a5l s ILE 511 Ca 0.68 -1.31 0.02 0.00 -2.23 0.00 0.00 60.65 57.80 1a5l s ILE 511 Cb -0.22 -1.93 -0.01 0.00 -1.58 0.00 0.00 42.46 38.72 1a5l s ILE 511 CO 0.45 0.37 -0.06 0.00 -1.23 0.00 0.00 174.94 174.48 1a5l s ALA 512 N -0.83 0.45 0.01 9.38 0.00 -0.93 -4.91 121.76 124.94 1a5l s ALA 512 Ca 0.12 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.71 1a5l s ALA 512 Cb -0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1a5l s ALA 512 CO 0.03 0.06 0.02 0.08 0.00 0.00 0.00 175.76 175.95 1a5l s VAL 513 N -0.52 4.27 0.33 0.00 1.01 -1.26 -0.76 120.40 123.46 1a5l s VAL 513 Ca -0.02 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 1a5l s VAL 513 Cb -0.04 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.34 1a5l s VAL 513 CO -0.00 0.33 0.64 0.68 0.00 0.00 0.00 175.10 176.75 1a5l s VAL 514 N -1.15 4.92 -0.16 2.92 -7.23 -0.90 -4.92 120.40 113.88 1a5l s VAL 514 Ca 0.21 0.30 -0.30 0.00 -1.81 0.00 0.00 61.98 60.39 1a5l s VAL 514 Cb -0.12 -3.73 0.12 0.00 0.56 0.00 0.00 36.38 33.22 1a5l s VAL 514 CO 0.12 -0.39 0.97 -1.59 -0.31 0.00 0.00 175.10 173.90 1a5l s LYS 515 N -3.63 0.63 0.00 4.82 -2.85 -0.90 -4.42 119.74 113.39 1a5l s LYS 515 Ca 0.47 0.22 0.00 0.00 -1.00 0.00 0.00 55.97 55.66 1a5l s LYS 515 Cb -0.11 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1a5l s LYS 515 CO 0.30 -0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.97 1a5l n GLY 516 N 0.96 0.60 0.18 0.59 0.00 -1.26 -4.42 105.19 101.83 1a5l n GLY 516 Ca -0.11 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.18 1a5l n GLY 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5l h ARG 518 N 0.00 0.00 -0.00 0.00 2.47 -1.91 -3.37 114.38 111.57 1a5l h ARG 518 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1a5l h ARG 518 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 1a5l h ARG 518 CO 0.03 0.23 -0.44 0.25 0.56 0.00 0.00 179.97 180.60 1a5l n THR 519 N -2.85 0.00 -2.67 2.04 -2.24 -1.25 -4.58 114.28 102.74 1a5l n THR 519 Ca -0.07 -0.06 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 1a5l n THR 519 Cb 0.77 0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 69.34 1a5l n THR 519 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1a5l s VAL 520 N -2.79 4.00 0.22 2.28 -7.23 -1.24 -5.06 120.40 110.57 1a5l s VAL 520 Ca 0.16 1.51 -0.06 0.00 -1.81 0.00 0.00 61.98 61.79 1a5l s VAL 520 Cb 0.18 -3.77 -0.03 0.00 0.56 0.00 0.00 36.38 33.32 1a5l s VAL 520 CO 0.64 -0.00 0.27 0.00 -0.31 0.00 0.00 175.10 175.69 1a5l s GLN 521 N -2.47 1.33 0.34 4.82 -2.07 -1.26 -4.84 119.66 115.52 1a5l s GLN 521 Ca 0.56 -1.47 0.12 0.00 -1.82 0.00 0.00 55.36 52.75 1a5l s GLN 521 Cb -0.19 0.35 0.96 0.00 -1.09 0.00 0.00 33.01 33.05 1a5l s GLN 521 CO 0.24 -0.49 1.73 -0.22 -1.32 0.00 0.00 175.29 175.23 1a5l h LYS 522 N 2.48 0.49 0.00 9.60 1.63 -0.92 0.82 116.57 130.67 1a5l h LYS 522 Ca -0.32 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1a5l h LYS 522 Cb 1.25 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1a5l h LYS 522 CO 0.46 0.33 0.00 0.00 -3.45 0.00 0.00 179.45 176.79 1a5l h ALA 523 N 1.71 1.00 0.00 5.00 0.00 -1.83 -2.29 119.26 122.86 1a5l h ALA 523 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.56 1a5l h ALA 523 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1a5l h ALA 523 CO -0.45 0.00 -0.27 -0.25 0.00 0.00 0.00 179.25 178.28 1a5l n ASP 524 N -3.01 0.56 -4.58 0.00 8.00 0.28 -4.81 116.55 112.99 1a5l n ASP 524 Ca -0.01 0.29 -0.41 0.00 0.71 0.00 0.00 54.79 55.37 1a5l n ASP 524 Cb 0.19 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 1a5l n ASP 524 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1a5l s MET 525 N -3.08 3.17 -0.32 -1.24 -1.94 -0.86 -4.91 119.30 110.11 1a5l s MET 525 Ca 0.10 0.82 -0.40 0.00 -1.71 0.00 0.00 55.69 54.50 1a5l s MET 525 Cb 0.15 -4.20 -0.15 0.00 2.01 0.00 0.00 34.83 32.64 1a5l s MET 525 CO 0.64 -2.08 1.87 0.28 -0.01 0.00 0.00 175.02 175.72 1a5l n VAL 526 N 7.13 0.25 -1.05 -6.03 0.31 -1.26 -0.90 118.33 116.77 1a5l n VAL 526 Ca 0.18 -0.09 -0.02 0.00 -0.01 0.00 0.00 64.34 64.40 1a5l n VAL 526 Cb 0.49 -1.22 -0.01 0.00 -0.91 0.00 0.00 33.84 32.20 1a5l n VAL 526 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1a5l n HIS 527 N 6.43 0.00 -3.13 3.52 8.25 -1.26 -4.82 115.22 124.20 1a5l n HIS 527 Ca 0.32 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.60 1a5l n HIS 527 Cb 0.13 -2.07 -0.02 0.00 1.12 0.00 0.00 29.99 29.14 1a5l n HIS 527 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a5l n ASN 528 N -1.00 0.28 -0.30 0.41 3.02 -0.08 -4.70 115.26 112.90 1a5l n ASN 528 Ca -0.02 -3.02 0.05 0.00 -0.03 0.00 0.00 54.58 51.56 1a5l n ASN 528 Cb 0.50 -0.31 0.11 0.00 -0.61 0.00 0.00 39.78 39.47 1a5l n ASN 528 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1a5l n SER 529 N 0.56 2.59 -4.73 6.41 3.41 -1.18 -4.58 113.62 116.10 1a5l n SER 529 Ca 0.22 -2.43 -0.42 0.00 -0.26 0.00 0.00 58.87 55.99 1a5l n SER 529 Cb 0.64 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 1a5l n SER 529 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1a5l s LEU 530 N -1.75 4.39 -0.53 1.04 2.96 -0.93 -4.66 118.68 119.21 1a5l s LEU 530 Ca 0.20 2.49 0.03 0.00 -0.22 0.00 0.00 54.13 56.63 1a5l s LEU 530 Cb 0.15 -3.60 0.13 0.00 0.50 0.00 0.00 46.19 43.37 1a5l s LEU 530 CO 0.06 -0.67 0.27 -1.10 -1.32 0.00 0.00 176.35 173.59 1a5l s GLN 531 N 0.40 2.02 0.44 1.98 -0.21 -1.26 -4.38 119.66 118.65 1a5l s GLN 531 Ca 0.62 -2.60 -0.11 0.00 0.02 0.00 0.00 55.36 53.29 1a5l s GLN 531 Cb -0.39 -3.35 -0.06 0.00 1.00 0.00 0.00 33.01 30.20 1a5l s GLN 531 CO 0.36 -1.11 0.82 -1.25 -2.12 0.00 0.00 175.29 171.98 1a5l s PRO 532 N -0.25 3.76 -0.94 2.91 0.04 -1.26 -4.94 135.00 134.32 1a5l s PRO 532 Ca 0.17 0.51 -0.23 0.00 0.04 0.00 0.00 61.00 61.50 1a5l s PRO 532 Cb -0.25 -2.34 0.07 0.00 0.04 0.00 0.00 34.50 32.02 1a5l s PRO 532 CO -0.01 -0.12 1.32 1.21 0.04 0.00 0.00 177.00 179.44 1a5l s ASN 533 N -3.33 6.46 -0.10 6.66 2.47 -1.26 -4.47 114.94 121.37 1a5l s ASN 533 Ca 0.52 -1.42 -0.02 0.00 0.42 0.00 0.00 52.86 52.36 1a5l s ASN 533 Cb -0.10 -2.52 -0.03 0.00 -1.45 0.00 0.00 41.25 37.15 1a5l s ASN 533 CO 0.34 -1.45 -0.02 -0.51 -3.72 0.00 0.00 177.10 171.75 1a5l s ILE 534 N 4.48 4.12 0.09 -5.21 2.07 -1.26 -0.85 121.20 124.64 1a5l s ILE 534 Ca 0.40 -0.31 0.05 0.00 -1.41 0.00 0.00 60.65 59.38 1a5l s ILE 534 Cb -0.03 -2.74 -0.03 0.00 0.13 0.00 0.00 42.46 39.78 1a5l s ILE 534 CO -0.05 0.58 -0.13 0.42 -1.91 0.00 0.00 174.94 173.84 1a5l s THR 535 N -0.60 1.13 0.01 4.00 -4.23 1.00 -4.87 115.64 112.07 1a5l s THR 535 Ca 0.10 -1.46 0.05 0.00 -1.18 0.00 0.00 61.69 59.20 1a5l s THR 535 Cb -0.12 -1.23 -0.02 0.00 1.34 0.00 0.00 72.50 72.48 1a5l s THR 535 CO 0.02 -0.33 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.91 1a5l s VAL 536 N -1.68 1.32 -0.38 2.29 1.01 -1.26 -0.52 120.40 121.17 1a5l s VAL 536 Ca 0.02 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 1a5l s VAL 536 Cb -0.08 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.19 1a5l s VAL 536 CO 0.02 0.28 0.55 -0.62 0.00 0.00 0.00 175.10 175.33 1a5l s ASP 537 N -0.64 6.32 0.49 3.32 -1.08 -0.65 -4.95 116.67 119.49 1a5l s ASP 537 Ca 0.06 -0.17 0.32 0.00 -0.52 0.00 0.00 52.55 52.24 1a5l s ASP 537 Cb -0.07 -2.28 1.43 0.00 -1.46 0.00 0.00 42.92 40.54 1a5l s ASP 537 CO 0.00 -0.59 1.76 0.00 0.52 0.00 0.00 175.17 176.86 1a5l h ALA 538 N 8.60 2.90 0.00 3.66 0.00 -1.96 0.37 119.26 132.84 1a5l h ALA 538 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1a5l h ALA 538 Cb 1.11 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1a5l h ALA 538 CO 0.82 -1.31 -0.03 1.04 0.00 0.00 0.00 179.25 179.77 1a5l n GLN 539 N -4.34 0.02 0.06 0.00 6.02 -1.26 -4.57 117.38 113.32 1a5l n GLN 539 Ca 0.28 0.21 0.08 0.00 -0.01 0.00 0.00 57.00 57.57 1a5l n GLN 539 Cb 1.23 -0.75 0.37 0.00 1.02 0.00 0.00 30.24 32.10 1a5l n GLN 539 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1a5l n THR 540 N -2.42 1.05 -1.24 5.09 -2.24 -1.21 -4.88 114.28 108.43 1a5l n THR 540 Ca -0.00 0.31 -0.08 0.00 -2.27 0.00 0.00 64.05 62.01 1a5l n THR 540 Cb 0.02 -1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 67.03 1a5l n THR 540 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1a5l n TYR 541 N -1.84 0.00 -2.43 4.78 4.01 0.13 -4.96 117.16 116.86 1a5l n TYR 541 Ca 0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.36 1a5l n TYR 541 Cb 0.16 -2.38 -0.04 0.00 -0.31 0.00 0.00 39.34 36.77 1a5l n TYR 541 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1a5l s GLU 542 N -2.57 4.60 -0.13 -0.72 2.02 -1.26 -4.31 118.70 116.34 1a5l s GLU 542 Ca 0.00 1.86 -0.06 0.00 0.02 0.00 0.00 54.97 56.79 1a5l s GLU 542 Cb 0.00 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 1a5l s GLU 542 CO 0.00 0.16 0.09 0.08 0.02 0.00 0.00 175.26 175.61 1a5l s VAL 543 N -1.14 5.07 0.01 2.63 1.01 -1.26 -1.64 120.40 125.06 1a5l s VAL 543 Ca 0.45 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1a5l s VAL 543 Cb -0.33 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1a5l s VAL 543 CO 0.43 0.58 -0.06 -0.13 0.00 0.00 0.00 175.10 175.91 1a5l s ARG 544 N -0.66 0.46 -0.25 2.72 0.52 0.32 -1.81 118.95 120.25 1a5l s ARG 544 Ca 0.12 -0.32 0.02 0.00 -0.52 0.00 0.00 55.73 55.04 1a5l s ARG 544 Cb -0.12 -0.40 0.06 0.00 0.52 0.00 0.00 34.95 35.01 1a5l s ARG 544 CO 0.02 0.10 -0.11 0.08 0.02 0.00 0.00 175.30 175.42 1a5l s VAL 545 N -0.40 2.05 -1.20 3.52 1.01 0.37 -0.00 120.40 125.75 1a5l s VAL 545 Ca -0.01 -1.51 -0.08 0.00 0.00 0.00 0.00 61.98 60.38 1a5l s VAL 545 Cb -0.04 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1a5l s VAL 545 CO -0.00 0.01 1.05 0.47 0.00 0.00 0.00 175.10 176.63 1a5l n ASP 546 N 4.49 -5.87 0.00 3.32 8.00 -0.03 -1.97 116.55 124.48 1a5l n ASP 546 Ca -0.14 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1a5l n ASP 546 Cb 0.43 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 37.02 1a5l n ASP 546 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5l n GLY 547 N -1.84 2.55 3.75 0.44 0.00 -1.26 -4.97 105.19 103.86 1a5l n GLY 547 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1a5l n GLY 547 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a5l s GLU 548 N 0.00 4.66 0.01 1.61 -1.05 -0.83 -4.97 118.70 118.13 1a5l s GLU 548 Ca 0.00 1.74 -0.30 0.00 -0.15 0.00 0.00 54.97 56.26 1a5l s GLU 548 Cb 0.00 -3.22 -0.04 0.00 -0.44 0.00 0.00 34.13 30.43 1a5l s GLU 548 CO 0.00 0.22 1.03 -1.17 0.95 0.00 0.00 175.26 176.30 1a5l s LEU 549 N -1.14 4.36 -0.17 1.83 2.96 -1.26 -0.48 118.68 124.79 1a5l s LEU 549 Ca 0.45 1.74 -0.09 0.00 -0.22 0.00 0.00 54.13 56.01 1a5l s LEU 549 Cb -0.30 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.77 1a5l s LEU 549 CO 0.38 -0.32 0.12 -0.63 -1.32 0.00 0.00 176.35 174.59 1a5l s ILE 550 N 1.09 5.37 0.01 6.68 -1.09 -0.75 -4.92 121.20 127.58 1a5l s ILE 550 Ca 0.53 0.17 -0.29 0.00 -2.23 0.00 0.00 60.65 58.83 1a5l s ILE 550 Cb -0.23 -3.40 0.10 0.00 -1.58 0.00 0.00 42.46 37.35 1a5l s ILE 550 CO 0.28 0.51 1.15 0.28 -1.23 0.00 0.00 174.94 175.92 1a5l s THR 551 N -0.15 0.00 0.17 2.92 -1.32 -1.26 -4.57 115.64 111.42 1a5l s THR 551 Ca 0.10 -0.31 -0.20 0.00 -1.21 0.00 0.00 61.69 60.08 1a5l s THR 551 Cb -0.11 -1.79 0.05 0.00 -1.51 0.00 0.00 72.50 69.14 1a5l s THR 551 CO 0.00 0.00 0.54 -0.94 -2.21 0.00 0.00 174.62 172.01 1a5l s SER 552 N -2.82 -0.39 0.04 8.08 1.04 -1.26 -4.91 113.70 113.47 1a5l s SER 552 Ca 0.12 -0.24 -0.08 0.00 0.48 0.00 0.00 55.95 56.23 1a5l s SER 552 Cb 0.02 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 1a5l s SER 552 CO -0.03 -0.99 0.33 -1.61 0.98 0.00 0.00 173.24 171.92 1a5l s GLU 553 N -3.81 3.67 0.25 4.02 0.41 -1.26 -4.86 118.70 117.12 1a5l s GLU 553 Ca 0.04 0.05 -0.30 0.00 -0.41 0.00 0.00 54.97 54.36 1a5l s GLU 553 Cb -0.01 -3.05 -0.09 0.00 -1.78 0.00 0.00 34.13 29.20 1a5l s GLU 553 CO -0.09 0.62 1.28 -1.25 -0.49 0.00 0.00 175.26 175.33 1a5l s PRO 554 N -1.78 4.41 0.20 0.39 0.04 -1.26 -4.87 135.00 132.14 1a5l s PRO 554 Ca 0.29 2.07 -0.20 0.00 0.04 0.00 0.00 61.00 63.20 1a5l s PRO 554 Cb -0.14 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.16 1a5l s PRO 554 CO 0.17 -0.17 0.72 0.00 0.04 0.00 0.00 177.00 177.75 1a5l s ALA 555 N -0.41 3.43 -0.08 8.56 0.00 -0.97 -4.69 121.76 127.60 1a5l s ALA 555 Ca 0.53 0.18 0.13 0.00 0.00 0.00 0.00 51.96 52.80 1a5l s ALA 555 Cb -0.37 -2.82 -0.23 0.00 0.00 0.00 0.00 23.12 19.70 1a5l s ALA 555 CO 0.43 0.33 0.52 -0.40 0.00 0.00 0.00 175.76 176.64 1a5l n ASP 556 N 0.91 0.70 -3.77 0.00 5.75 -1.26 -1.96 116.55 116.92 1a5l n ASP 556 Ca -0.03 0.32 -0.15 0.00 -0.01 0.00 0.00 54.79 54.92 1a5l n ASP 556 Cb 0.51 0.16 -0.16 0.00 -1.03 0.00 0.00 41.12 40.60 1a5l n ASP 556 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1a5l s VAL 557 N -2.57 -0.05 0.25 2.12 1.01 -1.26 -4.95 120.40 114.95 1a5l s VAL 557 Ca -0.06 0.20 0.12 0.00 0.00 0.00 0.00 61.98 62.23 1a5l s VAL 557 Cb 0.08 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.31 1a5l s VAL 557 CO 0.82 0.08 -0.21 -0.76 0.00 0.00 0.00 175.10 175.04 1a5l s LEU 558 N 1.00 2.55 0.90 3.92 1.43 -1.26 -5.14 118.68 122.09 1a5l s LEU 558 Ca -0.08 -0.97 -0.14 0.00 -1.03 0.00 0.00 54.13 51.90 1a5l s LEU 558 Cb -0.12 -1.13 0.16 0.00 0.03 0.00 0.00 46.19 45.13 1a5l s LEU 558 CO -0.03 0.07 1.26 -2.84 0.23 0.00 0.00 176.35 175.04 1a5l s PRO 559 N -3.25 1.09 -1.48 1.29 0.02 -1.26 -4.22 135.00 127.19 1a5l s PRO 559 Ca 0.27 -0.28 -0.09 0.00 0.02 0.00 0.00 61.00 60.92 1a5l s PRO 559 Cb -0.06 -1.90 0.06 0.00 0.02 0.00 0.00 34.50 32.62 1a5l s PRO 559 CO 0.13 -2.12 0.82 -1.33 -0.33 0.00 0.00 177.00 174.18 1a5l n MET 560 N -3.59 -4.85 0.00 5.54 2.81 -1.26 -4.90 117.12 110.86 1a5l n MET 560 Ca 0.13 0.56 0.00 0.00 -1.81 0.00 0.00 57.70 56.58 1a5l n MET 560 Cb 0.60 -5.25 0.00 0.00 -0.71 0.00 0.00 33.22 27.86 1a5l n MET 560 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a5l n ALA 561 N -4.52 0.00 0.26 3.04 0.00 -1.26 -4.96 120.51 113.07 1a5l n ALA 561 Ca -0.08 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.49 1a5l n ALA 561 Cb 0.58 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.76 1a5l n ALA 561 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1a5l h GLN 562 N 0.00 0.00 0.00 0.00 4.20 -1.90 -1.56 115.11 115.85 1a5l h GLN 562 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1a5l h GLN 562 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1a5l h GLN 562 CO 0.00 0.00 0.00 -0.09 -0.67 0.00 0.00 178.83 178.07 1a5l h ARG 563 N 0.00 0.00 0.00 1.46 2.43 -1.93 -3.37 114.38 112.97 1a5l h ARG 563 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1a5l h ARG 563 Cb 0.38 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1a5l h ARG 563 CO 0.00 0.00 -1.52 0.66 -1.51 0.00 0.00 179.97 177.60 1a5l n TYR 564 N -2.80 0.00 -3.83 2.20 4.01 -0.59 -5.03 117.16 111.11 1a5l n TYR 564 Ca 0.04 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.41 1a5l n TYR 564 Cb 0.45 -0.36 -0.06 0.00 -0.31 0.00 0.00 39.34 39.06 1a5l n TYR 564 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1a5l s PHE 565 N -2.23 3.59 0.23 -0.72 0.08 -1.19 -5.00 117.98 112.74 1a5l s PHE 565 Ca -0.04 0.55 0.03 0.00 0.12 0.00 0.00 56.93 57.60 1a5l s PHE 565 Cb 0.03 -1.99 0.23 0.00 -0.57 0.00 0.00 43.02 40.72 1a5l s PHE 565 CO 0.32 0.69 1.55 1.25 -0.10 0.00 0.00 175.22 178.94 1a5l h LEU 566 N 5.11 0.32 -0.62 -0.37 5.85 -1.94 -3.46 115.31 120.19 1a5l h LEU 566 Ca -0.54 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.00 1a5l h LEU 566 Cb 1.22 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1a5l h LEU 566 CO 0.60 0.85 0.00 0.49 -0.34 0.00 0.00 178.44 180.03