#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u0g h ALA 2 N 0.00 1.37 0.14 0.00 0.00 -1.95 -3.00 119.26 115.82 1u0g h ALA 2 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1u0g h ALA 2 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1u0g h ALA 2 CO 0.00 0.53 -0.07 1.25 0.00 0.00 0.00 179.25 180.96 1u0g h LEU 3 N 1.23 -0.16 -1.23 0.00 5.85 -1.85 -2.83 115.31 116.32 1u0g h LEU 3 Ca 0.39 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1u0g h LEU 3 Cb 0.02 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1u0g h LEU 3 CO -0.13 0.04 0.00 0.71 -0.34 0.00 0.00 178.44 178.73 1u0g h THR 4 N -0.36 0.00 0.00 1.05 1.35 -1.94 -1.82 112.91 111.20 1u0g h THR 4 Ca -0.02 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1u0g h THR 4 Cb 0.29 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1u0g h THR 4 CO 0.03 0.00 -0.13 0.54 -0.25 0.00 0.00 175.52 175.71 1u0g n ARG 5 N -3.00 0.21 -2.46 4.72 1.74 -1.14 -4.74 116.66 112.00 1u0g n ARG 5 Ca 0.01 0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.81 1u0g n ARG 5 Cb 0.32 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 1u0g n ARG 5 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1u0g s ASN 6 N -4.13 7.07 0.40 0.55 3.84 -0.69 -4.94 114.94 117.04 1u0g s ASN 6 Ca 0.11 1.86 0.10 0.00 0.21 0.00 0.00 52.86 55.14 1u0g s ASN 6 Cb 0.14 -2.56 0.82 0.00 -0.55 0.00 0.00 41.25 39.09 1u0g s ASN 6 CO 0.61 -0.54 1.93 -0.65 -2.79 0.00 0.00 177.10 175.66 1u0g h PRO 7 N 7.27 0.22 -0.13 0.43 0.11 -1.89 -0.87 132.00 137.14 1u0g h PRO 7 Ca -0.36 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.56 1u0g h PRO 7 Cb 1.18 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1u0g h PRO 7 CO 0.86 0.35 -0.53 1.96 -0.21 0.00 0.00 178.00 180.43 1u0g h GLN 8 N 0.21 0.36 -0.15 1.05 7.50 -1.94 -1.36 115.11 120.79 1u0g h GLN 8 Ca 0.04 -0.22 -0.05 0.00 0.50 0.00 0.00 58.65 58.93 1u0g h GLN 8 Cb 0.34 0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.89 1u0g h GLN 8 CO 0.02 0.80 -0.10 0.35 -1.50 0.00 0.00 178.83 178.41 1u0g h PHE 9 N 0.28 0.38 -0.96 2.96 3.57 -1.68 -2.10 116.94 119.40 1u0g h PHE 9 Ca 0.01 -0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.47 1u0g h PHE 9 Cb 1.02 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.61 1u0g h PHE 9 CO 0.03 0.68 0.61 1.96 -2.23 0.00 0.00 178.31 179.36 1u0g h GLN 10 N -0.02 1.09 -0.44 1.11 4.20 -1.12 -0.24 115.11 119.69 1u0g h GLN 10 Ca 0.03 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1u0g h GLN 10 Cb 0.59 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1u0g h GLN 10 CO 0.03 0.72 0.17 -0.22 -0.67 0.00 0.00 178.83 178.85 1u0g h LYS 11 N 1.12 0.67 -0.47 1.46 3.64 -1.21 -1.15 116.57 120.63 1u0g h LYS 11 Ca 0.41 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1u0g h LYS 11 Cb 0.15 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1u0g h LYS 11 CO -0.17 0.62 0.25 1.25 -2.27 0.00 0.00 179.45 179.13 1u0g h LEU 12 N 0.57 0.59 -0.52 5.20 5.85 -0.71 -0.73 115.31 125.56 1u0g h LEU 12 Ca 0.15 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1u0g h LEU 12 Cb 0.21 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1u0g h LEU 12 CO -0.01 0.53 0.14 0.25 -0.34 0.00 0.00 178.44 179.00 1u0g h LEU 13 N 0.61 0.78 -0.79 2.25 5.85 -0.94 -1.24 115.31 121.82 1u0g h LEU 13 Ca 0.16 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 1u0g h LEU 13 Cb 0.07 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1u0g h LEU 13 CO -0.02 0.80 0.09 -0.08 -0.34 0.00 0.00 178.44 178.88 1u0g h GLU 14 N 0.72 1.00 -0.42 1.25 4.57 -1.07 -0.98 114.58 119.65 1u0g h GLU 14 Ca 0.16 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1u0g h GLU 14 Cb 0.32 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1u0g h GLU 14 CO -0.00 0.93 0.17 2.35 -1.18 0.00 0.00 179.01 181.28 1u0g h TRP 15 N 0.94 0.64 0.11 0.92 7.01 -0.90 -2.30 115.95 122.37 1u0g h TRP 15 Ca 0.19 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.14 1u0g h TRP 15 Cb 0.42 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 1u0g h TRP 15 CO 0.03 0.55 -0.10 1.25 -2.79 0.00 0.00 178.44 177.38 1u0g h HIS 16 N 0.54 -0.27 -0.93 2.65 2.76 -0.98 0.02 115.15 118.94 1u0g h HIS 16 Ca 0.14 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.44 1u0g h HIS 16 Cb 0.18 0.10 -0.09 0.00 1.55 0.00 0.00 27.41 29.16 1u0g h HIS 16 CO -0.00 -0.16 0.55 0.00 -1.30 0.00 0.00 177.93 177.02 1u0g h ARG 17 N -0.24 0.82 0.00 5.26 3.08 -1.12 0.10 114.38 122.29 1u0g h ARG 17 Ca 0.00 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 59.81 1u0g h ARG 17 Cb 0.22 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1u0g h ARG 17 CO -0.02 0.54 -1.09 0.00 -1.07 0.00 0.00 179.97 178.33 1u0g h ALA 18 N 1.54 0.57 0.00 0.04 0.00 -1.14 -3.42 119.26 116.85 1u0g h ALA 18 Ca 0.48 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1u0g h ALA 18 Cb 0.54 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1u0g h ALA 18 CO -0.30 1.10 -0.84 0.09 0.00 0.00 0.00 179.25 179.30 1u0g n ASN 19 N -3.18 4.22 -0.20 0.00 4.13 -0.03 -4.83 115.26 115.38 1u0g n ASN 19 Ca -0.05 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.21 1u0g n ASN 19 Cb 0.89 0.84 0.24 0.00 -1.54 0.00 0.00 39.78 40.21 1u0g n ASN 19 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1u0g h SER 20 N 0.00 0.85 0.00 6.41 4.64 -0.93 -1.81 113.55 122.71 1u0g h SER 20 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1u0g h SER 20 Cb 0.01 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1u0g h SER 20 CO 0.00 0.65 0.00 0.00 -0.87 0.00 0.00 176.83 176.61 1u0g h ALA 21 N 1.50 1.00 -0.01 5.18 0.00 -1.88 -1.49 119.26 123.57 1u0g h ALA 21 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1u0g h ALA 21 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1u0g h ALA 21 CO -0.05 -0.00 -0.57 0.09 0.00 0.00 0.00 179.25 178.71 1u0g n ASN 22 N -2.48 1.07 -4.65 0.00 4.13 -0.68 -4.87 115.26 107.78 1u0g n ASN 22 Ca -0.02 -0.87 -0.43 0.00 1.68 0.00 0.00 54.58 54.95 1u0g n ASN 22 Cb 0.05 0.47 -0.03 0.00 -1.54 0.00 0.00 39.78 38.73 1u0g n ASN 22 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1u0g s LEU 23 N -2.77 4.06 -0.12 3.41 1.43 -0.56 -5.01 118.68 119.12 1u0g s LEU 23 Ca 0.15 1.16 -0.01 0.00 -1.03 0.00 0.00 54.13 54.40 1u0g s LEU 23 Cb 0.18 -3.41 0.04 0.00 0.03 0.00 0.00 46.19 43.02 1u0g s LEU 23 CO 0.68 -0.67 -0.02 -0.54 0.23 0.00 0.00 176.35 176.03 1u0g s LYS 24 N 3.18 0.93 0.24 1.70 -0.14 -1.26 -5.04 119.74 119.34 1u0g s LYS 24 Ca 0.41 -0.17 -0.04 0.00 -1.36 0.00 0.00 55.97 54.81 1u0g s LYS 24 Cb -0.14 -1.49 0.43 0.00 -1.68 0.00 0.00 37.83 34.95 1u0g s LYS 24 CO 0.09 -0.39 1.75 -0.07 -0.76 0.00 0.00 175.35 175.97 1u0g h LEU 25 N 8.25 0.39 -0.49 3.17 3.38 -1.90 -0.47 115.31 127.63 1u0g h LEU 25 Ca -0.22 0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1u0g h LEU 25 Cb 1.12 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1u0g h LEU 25 CO 0.33 0.18 0.24 -0.09 0.09 0.00 0.00 178.44 179.19 1u0g h ARG 26 N 0.53 0.46 -0.16 1.13 2.43 -1.92 -1.82 114.38 115.02 1u0g h ARG 26 Ca 0.40 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.39 1u0g h ARG 26 Cb 0.55 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1u0g h ARG 26 CO -0.35 0.30 -0.55 0.93 -1.51 0.00 0.00 179.97 178.80 1u0g h GLU 27 N 0.47 0.47 -0.80 0.20 5.08 -1.72 -1.66 114.58 116.62 1u0g h GLU 27 Ca 0.22 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1u0g h GLU 27 Cb 0.14 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1u0g h GLU 27 CO -0.16 0.89 0.51 -0.07 -1.00 0.00 0.00 179.01 179.18 1u0g h LEU 28 N 0.36 0.94 -0.23 1.33 3.38 -0.63 -0.92 115.31 119.54 1u0g h LEU 28 Ca 0.01 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1u0g h LEU 28 Cb 1.07 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1u0g h LEU 28 CO 0.10 0.71 -0.34 -0.26 0.09 0.00 0.00 178.44 178.74 1u0g h PHE 29 N 1.09 0.77 -0.88 1.13 -1.00 -1.22 -2.79 116.94 114.04 1u0g h PHE 29 Ca 0.29 -0.26 0.07 0.00 2.81 0.00 0.00 57.97 60.88 1u0g h PHE 29 Cb -0.08 -0.15 -0.06 0.00 3.61 0.00 0.00 35.95 39.27 1u0g h PHE 29 CO -0.01 1.00 0.57 0.93 -1.61 0.00 0.00 178.31 179.20 1u0g h GLU 30 N 0.32 0.95 0.00 1.51 4.39 -1.11 -2.86 114.58 117.78 1u0g h GLU 30 Ca 0.02 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1u0g h GLU 30 Cb 0.92 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1u0g h GLU 30 CO 0.08 0.63 -0.06 0.00 -1.16 0.00 0.00 179.01 178.49 1u0g h ALA 31 N 1.53 0.96 -2.73 3.43 0.00 -1.13 -3.42 119.26 117.90 1u0g h ALA 31 Ca 0.38 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.74 1u0g h ALA 31 Cb 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.63 1u0g h ALA 31 CO -0.15 0.00 -0.81 0.34 0.00 0.00 0.00 179.25 178.64 1u0g s ASP 32 N -5.36 3.33 0.61 0.00 2.15 -1.06 -4.99 116.67 111.36 1u0g s ASP 32 Ca 0.08 -1.73 0.34 0.00 0.43 0.00 0.00 52.55 51.67 1u0g s ASP 32 Cb 0.09 -0.42 1.97 0.00 -0.30 0.00 0.00 42.92 44.26 1u0g s ASP 32 CO 0.64 -0.38 2.27 -0.65 -0.17 0.00 0.00 175.17 176.88 1u0g h PRO 33 N 7.76 0.00 -0.59 4.34 0.11 -1.83 -2.20 132.00 139.58 1u0g h PRO 33 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1u0g h PRO 33 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1u0g h PRO 33 CO 0.37 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.55 1u0g n GLU 34 N -3.62 2.77 0.01 1.05 -0.58 -1.26 -4.63 120.64 114.39 1u0g n GLU 34 Ca -0.03 -1.91 -0.11 0.00 -0.42 0.00 0.00 57.16 54.70 1u0g n GLU 34 Cb 0.11 -1.66 -0.05 0.00 -0.57 0.00 0.00 31.44 29.27 1u0g n GLU 34 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1u0g h ARG 35 N 2.77 -0.01 -0.29 3.49 2.43 -1.75 -1.08 114.38 119.94 1u0g h ARG 35 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1u0g h ARG 35 Cb 1.02 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 1u0g h ARG 35 CO 0.14 -0.01 0.08 0.35 -1.51 0.00 0.00 179.97 179.02 1u0g h PHE 36 N -0.01 0.13 -1.00 2.20 3.57 -1.86 -1.24 116.94 118.74 1u0g h PHE 36 Ca 0.04 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.61 1u0g h PHE 36 Cb 0.06 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.72 1u0g h PHE 36 CO -0.13 0.05 0.65 -0.91 -2.23 0.00 0.00 178.31 175.74 1u0g h ASN 37 N 0.19 1.06 0.53 0.41 -0.26 -1.77 -2.73 115.58 113.01 1u0g h ASN 37 Ca 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 1u0g h ASN 37 Cb 0.12 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1u0g h ASN 37 CO -0.16 0.70 -0.44 0.59 -1.06 0.00 0.00 177.43 177.06 1u0g n ASN 38 N -4.48 0.48 -2.38 5.81 5.03 -0.45 -4.19 115.26 115.09 1u0g n ASN 38 Ca 0.15 -0.22 -0.15 0.00 0.87 0.00 0.00 54.58 55.22 1u0g n ASN 38 Cb 0.15 0.17 0.03 0.00 -1.02 0.00 0.00 39.78 39.11 1u0g n ASN 38 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1u0g n PHE 39 N -1.45 2.20 -3.88 3.10 3.01 -0.49 -5.04 117.46 114.92 1u0g n PHE 39 Ca 0.06 -2.30 -0.09 0.00 1.01 0.00 0.00 57.45 56.13 1u0g n PHE 39 Cb 0.34 -0.28 -0.08 0.00 -0.01 0.00 0.00 39.48 39.44 1u0g n PHE 39 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1u0g s SER 40 N -3.64 0.13 -0.12 4.37 1.04 -1.12 -1.68 113.70 112.68 1u0g s SER 40 Ca 0.41 -0.60 -0.00 0.00 0.48 0.00 0.00 55.95 56.24 1u0g s SER 40 Cb 0.38 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.83 1u0g s SER 40 CO -0.01 -0.66 -0.09 -0.76 0.98 0.00 0.00 173.24 172.70 1u0g s LEU 41 N -2.63 1.33 -0.49 2.42 1.43 -0.10 -4.99 118.68 115.65 1u0g s LEU 41 Ca 0.02 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 1u0g s LEU 41 Cb 0.03 -0.91 0.10 0.00 0.03 0.00 0.00 46.19 45.44 1u0g s LEU 41 CO -0.09 -0.09 0.40 0.21 0.23 0.00 0.00 176.35 177.01 1u0g s ASN 42 N 1.58 5.99 -0.23 2.29 3.84 -1.26 0.02 114.94 127.16 1u0g s ASN 42 Ca 0.04 -1.64 -0.16 0.00 0.21 0.00 0.00 52.86 51.30 1u0g s ASN 42 Cb -0.13 -2.12 -0.03 0.00 -0.55 0.00 0.00 41.25 38.41 1u0g s ASN 42 CO -0.08 -0.71 0.44 -0.76 -2.79 0.00 0.00 177.10 173.20 1u0g s LEU 43 N 1.53 4.10 -0.43 3.21 1.43 0.38 -4.95 118.68 123.96 1u0g s LEU 43 Ca 0.04 0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 53.46 1u0g s LEU 43 Cb -0.26 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.43 1u0g s LEU 43 CO 0.03 -0.17 0.38 0.21 0.23 0.00 0.00 176.35 177.02 1u0g s ASN 44 N 1.34 6.15 0.00 2.29 2.47 -1.26 -0.44 114.94 125.48 1u0g s ASN 44 Ca 0.19 -0.88 0.28 0.00 0.42 0.00 0.00 52.86 52.87 1u0g s ASN 44 Cb -0.15 -2.19 1.05 0.00 -1.45 0.00 0.00 41.25 38.50 1u0g s ASN 44 CO 0.09 -0.54 1.75 0.35 -3.72 0.00 0.00 177.10 175.03 1u0g n THR 45 N 5.28 0.00 -0.74 -5.21 -2.24 -0.59 -4.91 114.28 105.87 1u0g n THR 45 Ca -0.10 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1u0g n THR 45 Cb 0.47 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1u0g n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1u0g n ASN 46 N -1.03 0.00 -2.04 3.42 4.13 -1.26 -4.76 115.26 113.72 1u0g n ASN 46 Ca 0.12 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.35 1u0g n ASN 46 Cb 0.30 -1.13 0.06 0.00 -1.54 0.00 0.00 39.78 37.47 1u0g n ASN 46 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1u0g n HIS 47 N -2.00 1.04 0.00 3.10 8.25 -1.26 -5.09 115.22 119.26 1u0g n HIS 47 Ca 0.00 -1.63 0.00 0.00 -0.26 0.00 0.00 57.72 55.83 1u0g n HIS 47 Cb 0.00 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 30.88 1u0g n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u0g n GLY 48 N -0.39 3.50 3.82 -1.41 0.00 -1.26 -4.81 105.19 104.64 1u0g n GLY 48 Ca 0.15 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 1u0g n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u0g s HIS 49 N -2.69 3.28 -0.19 1.61 0.09 -1.26 -1.55 115.29 114.58 1u0g s HIS 49 Ca 0.00 0.12 0.01 0.00 -0.00 0.00 0.00 55.06 55.18 1u0g s HIS 49 Cb 0.00 -1.65 0.04 0.00 -0.00 0.00 0.00 32.58 30.97 1u0g s HIS 49 CO 0.00 0.54 -0.09 0.42 -0.00 0.00 0.00 174.74 175.61 1u0g s ILE 50 N -1.44 1.52 -0.26 0.60 1.01 0.41 -1.96 121.20 121.08 1u0g s ILE 50 Ca 0.31 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 59.91 1u0g s ILE 50 Cb -0.12 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1u0g s ILE 50 CO 0.24 0.17 0.35 -0.22 0.00 0.00 0.00 174.94 175.48 1u0g s LEU 51 N 1.45 4.06 -0.55 2.97 2.96 0.98 -0.47 118.68 130.08 1u0g s LEU 51 Ca -0.00 0.29 -0.10 0.00 -0.22 0.00 0.00 54.13 54.09 1u0g s LEU 51 Cb -0.16 -2.39 0.14 0.00 0.50 0.00 0.00 46.19 44.28 1u0g s LEU 51 CO -0.08 -0.14 0.44 -0.69 -1.32 0.00 0.00 176.35 174.56 1u0g s VAL 52 N 1.87 4.52 -0.51 1.68 1.01 0.10 -1.50 120.40 127.57 1u0g s VAL 52 Ca 0.14 -1.98 -0.18 0.00 0.00 0.00 0.00 61.98 59.96 1u0g s VAL 52 Cb -0.15 -3.93 0.07 0.00 0.00 0.00 0.00 36.38 32.37 1u0g s VAL 52 CO 0.09 -0.84 0.57 -0.62 0.00 0.00 0.00 175.10 174.30 1u0g s ASP 53 N 2.51 6.19 -0.21 3.32 2.15 -0.18 -0.93 116.67 129.53 1u0g s ASP 53 Ca 0.08 -1.16 0.15 0.00 0.43 0.00 0.00 52.55 52.05 1u0g s ASP 53 Cb -0.24 -2.26 0.60 0.00 -0.30 0.00 0.00 42.92 40.73 1u0g s ASP 53 CO -0.02 -0.86 1.52 0.00 -0.17 0.00 0.00 175.17 175.65 1u0g n TYR 54 N 5.87 1.29 0.24 -5.34 0.18 -0.67 -1.52 117.16 117.20 1u0g n TYR 54 Ca -0.09 -0.92 0.13 0.00 1.88 0.00 0.00 57.90 58.89 1u0g n TYR 54 Cb 0.44 -0.40 0.46 0.00 -0.38 0.00 0.00 39.34 39.47 1u0g n TYR 54 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1u0g h SER 55 N 2.23 0.00 -0.31 9.48 4.64 -1.63 -3.12 113.55 124.84 1u0g h SER 55 Ca 0.04 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.17 1u0g h SER 55 Cb 1.64 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.63 1u0g h SER 55 CO 0.33 0.12 0.24 0.29 -0.87 0.00 0.00 176.83 176.93 1u0g n LYS 56 N -3.21 1.45 -4.25 4.77 5.02 -1.26 -4.88 118.16 115.80 1u0g n LYS 56 Ca 0.01 -0.97 -0.25 0.00 -2.02 0.00 0.00 58.31 55.08 1u0g n LYS 56 Cb 0.42 -1.38 -0.08 0.00 -0.02 0.00 0.00 35.03 33.97 1u0g n LYS 56 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1u0g s ASN 57 N 0.55 4.59 -1.49 4.39 0.01 -1.18 -1.66 114.94 120.14 1u0g s ASN 57 Ca 0.19 -0.52 -0.12 0.00 -0.71 0.00 0.00 52.86 51.70 1u0g s ASN 57 Cb 0.15 -0.89 0.01 0.00 0.41 0.00 0.00 41.25 40.93 1u0g s ASN 57 CO 0.02 0.06 2.46 0.18 -1.51 0.00 0.00 177.10 178.30 1u0g n LEU 58 N -0.38 7.58 -3.98 0.60 4.77 -1.26 -4.83 117.00 119.49 1u0g n LEU 58 Ca -0.09 -4.31 -0.08 0.00 -0.03 0.00 0.00 56.01 51.50 1u0g n LEU 58 Cb 0.57 -1.59 -0.09 0.00 -2.33 0.00 0.00 43.42 39.97 1u0g n LEU 58 CO 0.38 1.52 -0.25 0.68 -1.33 0.00 0.00 177.39 178.40 1u0g s VAL 59 N 2.32 0.18 0.00 4.08 -7.23 -1.26 -5.08 120.40 113.41 1u0g s VAL 59 Ca 0.55 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1u0g s VAL 59 Cb 0.15 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.78 1u0g s VAL 59 CO -0.07 -0.80 0.00 -0.46 -0.31 0.00 0.00 175.10 173.46 1u0g n ASN 60 N 0.22 0.33 -0.05 4.85 0.23 -1.26 -5.02 115.26 114.55 1u0g n ASN 60 Ca -0.16 -0.96 -0.08 0.00 -0.53 0.00 0.00 54.58 52.85 1u0g n ASN 60 Cb 0.61 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.29 1u0g n ASN 60 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1u0g h LYS 61 N 0.00 -0.02 -0.47 -3.83 3.64 -2.00 -2.13 116.57 111.76 1u0g h LYS 61 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1u0g h LYS 61 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1u0g h LYS 61 CO 0.00 -0.01 -0.06 0.93 -2.27 0.00 0.00 179.45 178.04 1u0g h GLU 62 N -0.02 0.83 -0.11 1.90 5.08 -1.99 -1.78 114.58 118.49 1u0g h GLU 62 Ca 0.12 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1u0g h GLU 62 Cb 0.20 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1u0g h GLU 62 CO -0.26 0.87 0.06 0.28 -1.00 0.00 0.00 179.01 178.96 1u0g h VAL 63 N 0.76 1.11 -0.84 3.13 2.07 -1.90 -0.91 116.25 119.67 1u0g h VAL 63 Ca 0.14 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1u0g h VAL 63 Cb 0.54 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1u0g h VAL 63 CO 0.03 0.10 0.49 0.24 0.02 0.00 0.00 177.57 178.46 1u0g h MET 64 N 0.07 1.15 -0.23 1.57 2.86 -1.27 -0.18 114.93 118.90 1u0g h MET 64 Ca 0.04 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1u0g h MET 64 Cb 0.11 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 1u0g h MET 64 CO -0.01 0.82 0.07 1.96 1.06 0.00 0.00 176.91 180.82 1u0g h GLN 65 N 1.16 0.17 -0.73 1.72 4.20 -1.14 0.38 115.11 120.86 1u0g h GLN 65 Ca 0.30 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.96 1u0g h GLN 65 Cb -0.02 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1u0g h GLN 65 CO -0.05 0.11 0.30 0.52 -0.67 0.00 0.00 178.83 179.03 1u0g h MET 66 N 0.17 1.07 -0.34 1.46 2.86 -0.76 -0.24 114.93 119.16 1u0g h MET 66 Ca 0.10 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1u0g h MET 66 Cb 0.08 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1u0g h MET 66 CO -0.11 0.87 0.02 -0.07 1.06 0.00 0.00 176.91 178.68 1u0g h LEU 67 N 1.05 0.56 -0.68 1.22 3.38 -0.68 -1.37 115.31 118.80 1u0g h LEU 67 Ca 0.25 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1u0g h LEU 67 Cb 0.19 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1u0g h LEU 67 CO -0.02 0.71 0.23 0.58 0.09 0.00 0.00 178.44 180.03 1u0g h VAL 68 N 0.39 1.25 -0.94 1.22 2.07 -0.68 -1.84 116.25 117.73 1u0g h VAL 68 Ca 0.10 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1u0g h VAL 68 Cb 0.41 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1u0g h VAL 68 CO 0.01 0.33 0.59 -0.33 0.02 0.00 0.00 177.57 178.19 1u0g h GLU 69 N 0.98 1.26 -0.17 1.57 4.39 -0.90 -1.80 114.58 119.90 1u0g h GLU 69 Ca 0.22 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1u0g h GLU 69 Cb 0.28 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1u0g h GLU 69 CO -0.01 0.86 0.11 1.25 -1.16 0.00 0.00 179.01 180.06 1u0g h LEU 70 N 1.28 0.20 -0.74 1.33 5.85 -0.88 0.11 115.31 122.46 1u0g h LEU 70 Ca 0.34 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.15 1u0g h LEU 70 Cb -0.09 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 1u0g h LEU 70 CO -0.07 0.15 0.36 0.00 -0.34 0.00 0.00 178.44 178.55 1u0g h ALA 71 N 1.05 1.04 -0.07 1.25 0.00 -0.98 0.64 119.26 122.20 1u0g h ALA 71 Ca 0.06 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1u0g h ALA 71 Cb -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1u0g h ALA 71 CO -0.01 -0.07 0.04 0.87 0.00 0.00 0.00 179.25 180.08 1u0g h LYS 72 N 0.59 0.09 0.00 0.00 1.57 -0.92 -2.51 116.57 115.39 1u0g h LYS 72 Ca 0.38 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 1u0g h LYS 72 Cb 0.45 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1u0g h LYS 72 CO -0.30 0.11 -0.12 1.03 -0.57 0.00 0.00 179.45 179.60 1u0g h SER 73 N 0.05 0.00 -0.05 0.86 0.87 -0.39 -1.19 113.55 113.69 1u0g h SER 73 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1u0g h SER 73 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1u0g h SER 73 CO -0.00 0.12 0.00 0.54 -0.53 0.00 0.00 176.83 176.95 1u0g n ARG 74 N -4.38 1.56 -2.78 2.24 5.12 0.17 -4.95 116.66 113.64 1u0g n ARG 74 Ca -0.03 -0.82 -0.10 0.00 -1.93 0.00 0.00 57.85 54.97 1u0g n ARG 74 Cb 0.19 -1.45 0.03 0.00 -1.16 0.00 0.00 32.46 30.07 1u0g n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1u0g n GLY 75 N 1.12 0.20 0.16 -0.13 0.00 -0.45 -4.79 105.19 101.29 1u0g n GLY 75 Ca 0.19 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1u0g n GLY 75 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u0g h VAL 76 N -0.90 1.10 -0.26 1.61 2.07 -1.67 -2.17 116.25 116.04 1u0g h VAL 76 Ca -0.25 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1u0g h VAL 76 Cb 1.17 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1u0g h VAL 76 CO 0.26 0.10 0.17 -0.33 0.02 0.00 0.00 177.57 177.78 1u0g h GLU 77 N 0.47 0.36 -0.56 1.57 5.08 -1.90 0.46 114.58 120.05 1u0g h GLU 77 Ca 0.13 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1u0g h GLU 77 Cb -0.04 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1u0g h GLU 77 CO -0.03 0.26 0.30 0.00 -1.00 0.00 0.00 179.01 178.55 1u0g h ALA 78 N 1.07 0.72 -0.52 3.43 0.00 -1.96 -1.32 119.26 120.68 1u0g h ALA 78 Ca 0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1u0g h ALA 78 Cb -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1u0g h ALA 78 CO -0.02 0.24 0.21 0.00 0.00 0.00 0.00 179.25 179.68 1u0g h ALA 79 N 1.14 0.68 -0.01 0.00 0.00 -1.11 -1.06 119.26 118.89 1u0g h ALA 79 Ca 0.20 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1u0g h ALA 79 Cb 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1u0g h ALA 79 CO -0.03 0.29 -0.11 -0.09 0.00 0.00 0.00 179.25 179.30 1u0g h ARG 80 N 0.70 -0.18 -0.98 0.00 2.43 -0.76 -1.14 114.38 114.45 1u0g h ARG 80 Ca 0.17 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.44 1u0g h ARG 80 Cb 0.20 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.72 1u0g h ARG 80 CO -0.01 -0.12 0.62 -0.44 -1.51 0.00 0.00 179.97 178.51 1u0g h ASP 81 N -0.19 0.97 -0.47 -3.80 3.32 -1.01 -1.77 116.42 113.47 1u0g h ASP 81 Ca 0.04 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1u0g h ASP 81 Cb 0.25 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1u0g h ASP 81 CO -0.12 0.58 0.17 0.78 -1.72 0.00 0.00 179.24 178.93 1u0g h ASN 82 N 1.08 0.67 -0.01 6.45 -0.26 -0.75 -2.02 115.58 120.73 1u0g h ASN 82 Ca 0.44 -0.19 0.03 0.00 -0.56 0.00 0.00 56.30 56.03 1u0g h ASN 82 Cb 0.27 -0.17 -0.04 0.00 -1.06 0.00 0.00 38.32 37.32 1u0g h ASN 82 CO -0.20 0.67 -0.23 -0.03 -1.06 0.00 0.00 177.43 176.58 1u0g h MET 83 N 0.62 -0.34 0.00 0.81 4.05 -0.50 -2.02 114.93 117.54 1u0g h MET 83 Ca 0.15 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 1u0g h MET 83 Cb 0.23 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1u0g h MET 83 CO -0.01 -0.23 -0.07 0.74 0.23 0.00 0.00 176.91 177.57 1u0g h PHE 84 N -0.36 0.00 -0.07 1.39 -1.00 -1.13 -2.66 116.94 113.11 1u0g h PHE 84 Ca 0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.85 1u0g h PHE 84 Cb 0.45 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.01 1u0g h PHE 84 CO -0.28 0.07 0.00 -1.13 -1.61 0.00 0.00 178.31 175.36 1u0g n SER 85 N -3.93 2.14 0.00 2.17 3.41 -0.78 -4.94 113.62 111.69 1u0g n SER 85 Ca -0.02 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 1u0g n SER 85 Cb 0.16 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1u0g n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u0g n GLY 86 N 1.25 0.68 3.76 5.00 0.00 -1.00 -4.19 105.19 110.69 1u0g n GLY 86 Ca 0.17 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1u0g n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u0g s SER 87 N -2.29 5.59 -1.49 1.61 0.01 -0.78 -4.71 113.70 111.64 1u0g s SER 87 Ca 0.00 2.69 -0.13 0.00 1.31 0.00 0.00 55.95 59.82 1u0g s SER 87 Cb 0.00 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 1u0g s SER 87 CO 0.00 -1.35 2.50 0.29 0.41 0.00 0.00 173.24 175.10 1u0g n LYS 88 N -0.74 3.12 0.06 12.44 5.02 -1.26 -4.09 118.16 132.71 1u0g n LYS 88 Ca 0.09 -2.40 0.12 0.00 -2.02 0.00 0.00 58.31 54.10 1u0g n LYS 88 Cb 0.45 -3.07 0.46 0.00 -0.02 0.00 0.00 35.03 32.85 1u0g n LYS 88 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1u0g n ILE 89 N 4.52 0.58 -2.74 -0.18 -5.35 -1.13 -3.94 119.36 111.12 1u0g n ILE 89 Ca 0.62 0.02 -0.43 0.00 -0.27 0.00 0.00 62.75 62.70 1u0g n ILE 89 Cb 0.32 -0.79 -0.02 0.00 -1.74 0.00 0.00 39.64 37.42 1u0g n ILE 89 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1u0g s ASN 90 N -3.75 6.74 0.37 7.28 3.84 -0.80 -4.85 114.94 123.76 1u0g s ASN 90 Ca 0.09 -2.18 0.20 0.00 0.21 0.00 0.00 52.86 51.18 1u0g s ASN 90 Cb 0.13 -2.49 0.33 0.00 -0.55 0.00 0.00 41.25 38.66 1u0g s ASN 90 CO 0.46 -1.15 1.58 0.10 -2.79 0.00 0.00 177.10 175.30 1u0g h TYR 91 N 8.44 0.00 -0.00 0.43 -0.00 -1.83 0.40 116.97 124.41 1u0g h TYR 91 Ca 0.28 0.00 -0.17 0.00 -0.00 0.00 0.00 58.73 58.84 1u0g h TYR 91 Cb 0.95 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.66 1u0g h TYR 91 CO 1.25 0.27 -0.79 1.79 -0.00 0.00 0.00 178.16 180.68 1u0g h THR 92 N 0.00 1.55 -0.02 -0.90 1.35 -1.93 -3.23 112.91 109.74 1u0g h THR 92 Ca -0.00 -2.65 0.00 0.00 -0.55 0.00 0.00 66.41 63.20 1u0g h THR 92 Cb 1.13 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.99 1u0g h THR 92 CO 0.04 0.76 -0.19 -0.62 -0.25 0.00 0.00 175.52 175.26 1u0g n GLU 93 N -3.62 1.59 -3.66 4.72 1.02 -1.19 -5.01 120.64 114.49 1u0g n GLU 93 Ca -0.01 -1.24 -0.28 0.00 -0.02 0.00 0.00 57.16 55.60 1u0g n GLU 93 Cb 0.76 -1.35 0.04 0.00 -0.02 0.00 0.00 31.44 30.87 1u0g n GLU 93 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1u0g n ASP 94 N 0.49 -4.60 -4.22 1.62 2.03 0.01 -5.02 116.55 106.85 1u0g n ASP 94 Ca 0.09 -0.96 -0.18 0.00 0.52 0.00 0.00 54.79 54.26 1u0g n ASP 94 Cb 0.42 -3.63 -0.11 0.00 -0.72 0.00 0.00 41.12 37.08 1u0g n ASP 94 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1u0g s ARG 95 N -5.85 0.95 0.97 -0.67 0.52 -0.46 -5.02 118.95 109.39 1u0g s ARG 95 Ca 0.38 -1.13 -0.13 0.00 -0.52 0.00 0.00 55.73 54.33 1u0g s ARG 95 Cb -0.13 -0.89 0.17 0.00 0.52 0.00 0.00 34.95 34.62 1u0g s ARG 95 CO 0.84 0.18 1.12 0.00 0.02 0.00 0.00 175.30 177.47 1u0g s ALA 96 N -1.79 1.32 -0.34 2.13 0.00 -1.26 -1.91 121.76 119.91 1u0g s ALA 96 Ca 0.05 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 1u0g s ALA 96 Cb -0.07 -3.06 0.11 0.00 0.00 0.00 0.00 23.12 20.11 1u0g s ALA 96 CO 0.03 -2.63 0.15 0.08 0.00 0.00 0.00 175.76 173.39 1u0g s VAL 97 N -3.14 0.87 -0.29 0.00 1.01 -1.26 -4.41 120.40 113.18 1u0g s VAL 97 Ca 0.65 -1.67 0.16 0.00 0.00 0.00 0.00 61.98 61.12 1u0g s VAL 97 Cb -0.16 -1.64 0.48 0.00 0.00 0.00 0.00 36.38 35.06 1u0g s VAL 97 CO 0.55 -0.77 1.13 0.18 0.00 0.00 0.00 175.10 176.19 1u0g n LEU 98 N 4.48 2.92 0.28 3.92 4.77 -0.22 -4.70 117.00 128.44 1u0g n LEU 98 Ca 0.02 -3.81 0.12 0.00 -0.03 0.00 0.00 56.01 52.31 1u0g n LEU 98 Cb 0.40 0.14 0.77 0.00 -2.33 0.00 0.00 43.42 42.39 1u0g n LEU 98 CO 0.14 1.52 1.07 1.12 -1.33 0.00 0.00 177.39 179.92 1u0g h HIS 99 N 2.49 0.00 0.00 -1.77 2.07 -1.87 -1.48 115.15 114.59 1u0g h HIS 99 Ca 0.07 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.55 1u0g h HIS 99 Cb 1.34 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.31 1u0g h HIS 99 CO 0.64 0.03 -0.17 -0.39 -3.07 0.00 0.00 177.93 174.97 1u0g h VAL 100 N 0.00 0.69 -0.16 6.12 -1.51 -1.95 -2.40 116.25 117.04 1u0g h VAL 100 Ca -0.00 -0.71 -0.14 0.00 -1.23 0.00 0.00 66.70 64.62 1u0g h VAL 100 Cb 0.06 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 1u0g h VAL 100 CO 0.00 0.17 -0.50 0.00 -1.23 0.00 0.00 177.57 176.01 1u0g h ALA 101 N 1.83 0.84 -0.66 5.19 0.00 -1.63 -2.89 119.26 121.94 1u0g h ALA 101 Ca -0.00 -0.48 0.07 0.00 0.00 0.00 0.00 54.91 54.49 1u0g h ALA 101 Cb 0.43 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1u0g h ALA 101 CO 0.02 0.67 0.44 -0.07 0.00 0.00 0.00 179.25 180.31 1u0g h LEU 102 N 0.34 0.57 -3.27 0.00 3.38 -1.41 -2.31 115.31 112.60 1u0g h LEU 102 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1u0g h LEU 102 Cb 1.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1u0g h LEU 102 CO 0.09 0.36 -0.01 -2.11 0.09 0.00 0.00 178.44 176.87 1u0g n ARG 103 N -4.48 2.57 -2.35 1.13 0.00 -1.20 -4.92 116.66 107.41 1u0g n ARG 103 Ca 0.10 -2.90 -0.37 0.00 -0.00 0.00 0.00 57.85 54.67 1u0g n ARG 103 Cb 0.25 -1.82 -0.02 0.00 -0.00 0.00 0.00 32.46 30.86 1u0g n ARG 103 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1u0g n ASN 104 N -0.72 4.17 0.29 2.89 4.05 -0.87 -4.39 115.26 120.68 1u0g n ASN 104 Ca 0.24 -2.83 0.18 0.00 0.45 0.00 0.00 54.58 52.62 1u0g n ASN 104 Cb 0.92 -1.74 0.88 0.00 1.23 0.00 0.00 39.78 41.07 1u0g n ASN 104 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 1u0g h ARG 105 N 8.38 0.00 0.00 1.20 2.47 -1.90 -1.57 114.38 122.97 1u0g h ARG 105 Ca 0.36 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.07 1u0g h ARG 105 Cb 0.89 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.21 1u0g h ARG 105 CO 1.38 0.04 -0.07 0.66 0.56 0.00 0.00 179.97 182.54 1u0g h SER 106 N 0.00 0.00 -0.88 7.04 4.64 -2.00 -3.47 113.55 118.89 1u0g h SER 106 Ca -0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1u0g h SER 106 Cb 0.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.22 1u0g h SER 106 CO 0.01 0.07 -0.34 0.59 -0.87 0.00 0.00 176.83 176.28 1u0g n ASN 107 N -3.15 -5.51 -4.77 4.97 3.02 -0.59 -4.98 115.26 104.25 1u0g n ASN 107 Ca 0.02 0.46 -0.40 0.00 -0.03 0.00 0.00 54.58 54.63 1u0g n ASN 107 Cb 0.42 -4.63 0.01 0.00 -0.61 0.00 0.00 39.78 34.97 1u0g n ASN 107 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1u0g s THR 108 N -2.59 2.34 0.32 3.41 -4.23 -1.26 -4.91 115.64 108.71 1u0g s THR 108 Ca 0.00 0.30 -0.29 0.00 -1.18 0.00 0.00 61.69 60.52 1u0g s THR 108 Cb 0.00 -3.17 -0.12 0.00 1.34 0.00 0.00 72.50 70.55 1u0g s THR 108 CO 0.00 0.04 1.49 -2.65 -0.54 0.00 0.00 174.62 172.96 1u0g n PRO 109 N -0.08 2.49 -3.86 3.99 -0.02 -1.26 -4.92 135.00 131.35 1u0g n PRO 109 Ca 0.05 0.88 -0.28 0.00 -2.02 0.00 0.00 63.50 62.13 1u0g n PRO 109 Cb 0.43 -2.60 -0.16 0.00 -0.02 0.00 0.00 33.50 31.15 1u0g n PRO 109 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1u0g s ILE 110 N -0.49 0.98 -0.15 4.25 1.01 -1.26 -5.04 121.20 120.49 1u0g s ILE 110 Ca 0.60 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.55 1u0g s ILE 110 Cb -0.53 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 1u0g s ILE 110 CO 0.55 0.08 0.24 -0.54 0.00 0.00 0.00 174.94 175.27 1u0g s LYS 111 N 1.68 4.11 -0.11 2.79 1.02 -1.26 -0.57 119.74 127.40 1u0g s LYS 111 Ca 0.01 0.01 0.02 0.00 0.02 0.00 0.00 55.97 56.02 1u0g s LYS 111 Cb -0.15 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.77 1u0g s LYS 111 CO -0.07 0.36 -0.18 0.08 -0.92 0.00 0.00 175.35 174.61 1u0g s VAL 112 N 0.13 2.57 -1.42 3.17 1.01 -0.18 -4.39 120.40 121.29 1u0g s VAL 112 Ca 0.15 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 1u0g s VAL 112 Cb -0.13 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.26 1u0g s VAL 112 CO 0.03 0.55 0.57 0.47 0.00 0.00 0.00 175.10 176.71 1u0g n ASP 113 N 3.43 -4.98 0.00 3.32 8.00 -1.26 -1.48 116.55 123.58 1u0g n ASP 113 Ca -0.18 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 54.97 1u0g n ASP 113 Cb 0.53 -4.06 0.00 0.00 -0.02 0.00 0.00 41.12 37.57 1u0g n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u0g n GLY 114 N -1.37 1.06 3.27 0.44 0.00 -1.26 -5.03 105.19 102.30 1u0g n GLY 114 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1u0g n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0g s LYS 115 N -0.16 2.90 0.09 1.61 1.02 -0.55 -5.01 119.74 119.65 1u0g s LYS 115 Ca 0.00 -0.85 -0.31 0.00 0.02 0.00 0.00 55.97 54.83 1u0g s LYS 115 Cb 0.00 -2.30 -0.09 0.00 -0.52 0.00 0.00 37.83 34.92 1u0g s LYS 115 CO 0.00 0.27 1.63 0.34 -0.92 0.00 0.00 175.35 176.67 1u0g s ASP 116 N 0.13 6.60 0.13 2.83 2.15 -1.26 -1.01 116.67 126.24 1u0g s ASP 116 Ca -0.11 2.52 0.26 0.00 0.43 0.00 0.00 52.55 55.64 1u0g s ASP 116 Cb -0.16 -2.57 0.70 0.00 -0.30 0.00 0.00 42.92 40.59 1u0g s ASP 116 CO 0.06 -0.87 1.62 1.33 -0.17 0.00 0.00 175.17 177.14 1u0g n VAL 117 N 4.52 0.37 -0.17 1.11 0.24 0.26 -4.39 118.33 120.28 1u0g n VAL 117 Ca 0.15 -0.21 -0.07 0.00 -2.04 0.00 0.00 64.34 62.17 1u0g n VAL 117 Cb 0.40 -0.35 0.02 0.00 -1.47 0.00 0.00 33.84 32.44 1u0g n VAL 117 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1u0g h MET 118 N 0.00 0.68 -0.78 7.34 2.86 -1.91 -2.09 114.93 121.03 1u0g h MET 118 Ca 0.00 -0.06 0.12 0.00 -2.06 0.00 0.00 59.70 57.70 1u0g h MET 118 Cb 0.68 -0.14 -0.09 0.00 0.06 0.00 0.00 31.60 32.11 1u0g h MET 118 CO 0.00 0.49 0.38 -1.35 1.06 0.00 0.00 176.91 177.50 1u0g h PRO 119 N 0.68 0.57 -0.21 -0.22 0.11 -1.97 0.47 132.00 131.43 1u0g h PRO 119 Ca 0.18 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.08 1u0g h PRO 119 Cb -0.01 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 30.96 1u0g h PRO 119 CO -0.03 0.38 -0.59 0.93 -0.21 0.00 0.00 178.00 178.47 1u0g h GLU 120 N 0.59 0.69 -0.11 1.05 4.39 -1.78 -0.20 114.58 119.20 1u0g h GLU 120 Ca 0.41 -0.46 0.03 0.00 0.34 0.00 0.00 59.36 59.68 1u0g h GLU 120 Cb 0.53 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 1u0g h GLU 120 CO -0.33 1.08 -0.07 0.28 -1.16 0.00 0.00 179.01 178.81 1u0g h VAL 121 N 0.51 0.79 -0.14 3.13 2.07 -0.94 -2.14 116.25 119.53 1u0g h VAL 121 Ca -0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1u0g h VAL 121 Cb 1.17 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1u0g h VAL 121 CO 0.12 0.00 -0.47 0.78 0.02 0.00 0.00 177.57 178.02 1u0g h ASN 122 N -0.07 0.39 -0.39 0.57 2.35 -0.85 -1.81 115.58 115.78 1u0g h ASN 122 Ca 0.07 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1u0g h ASN 122 Cb 0.17 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1u0g h ASN 122 CO -0.15 0.81 0.24 -0.09 -1.65 0.00 0.00 177.43 176.59 1u0g h ARG 123 N 0.30 0.52 -0.66 0.81 2.43 -0.91 -0.21 114.38 116.66 1u0g h ARG 123 Ca 0.02 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 1u0g h ARG 123 Cb 0.94 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 1u0g h ARG 123 CO 0.08 0.38 0.11 0.28 -1.51 0.00 0.00 179.97 179.31 1u0g h VAL 124 N 0.51 1.26 -0.87 0.20 2.07 -1.15 -1.70 116.25 116.57 1u0g h VAL 124 Ca 0.14 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1u0g h VAL 124 Cb -0.01 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1u0g h VAL 124 CO -0.03 0.39 0.54 -0.07 0.02 0.00 0.00 177.57 178.42 1u0g h LEU 125 N 1.01 1.03 -0.74 2.57 3.38 -1.08 0.30 115.31 121.78 1u0g h LEU 125 Ca 0.20 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1u0g h LEU 125 Cb 0.44 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1u0g h LEU 125 CO 0.01 0.78 0.39 0.44 0.09 0.00 0.00 178.44 180.15 1u0g h ASP 126 N 1.19 0.94 -0.62 -0.43 3.32 -0.71 -0.65 116.42 119.46 1u0g h ASP 126 Ca 0.32 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 1u0g h ASP 126 Cb -0.08 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 1u0g h ASP 126 CO -0.06 0.78 0.16 0.11 -1.72 0.00 0.00 179.24 178.50 1u0g h LYS 127 N 1.02 0.99 -0.57 3.56 1.57 -0.72 -1.72 116.57 120.72 1u0g h LYS 127 Ca 0.26 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1u0g h LYS 127 Cb 0.06 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1u0g h LYS 127 CO -0.04 0.90 0.37 0.52 -0.57 0.00 0.00 179.45 180.63 1u0g h MET 128 N 0.91 0.75 -0.10 3.15 2.86 -0.62 -1.55 114.93 120.33 1u0g h MET 128 Ca 0.20 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1u0g h MET 128 Cb 0.35 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1u0g h MET 128 CO 0.00 0.50 0.06 -0.22 1.06 0.00 0.00 176.91 178.31 1u0g h LYS 129 N 0.77 0.13 -0.18 1.72 3.64 -0.87 -0.38 116.57 121.40 1u0g h LYS 129 Ca 0.21 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1u0g h LYS 129 Cb -0.08 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1u0g h LYS 129 CO -0.04 0.09 0.07 1.03 -2.27 0.00 0.00 179.45 178.32 1u0g h SER 130 N 0.13 0.09 -0.45 4.20 0.87 -1.22 -2.13 113.55 115.04 1u0g h SER 130 Ca 0.04 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1u0g h SER 130 Cb -0.01 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1u0g h SER 130 CO -0.01 0.08 0.28 0.15 -0.53 0.00 0.00 176.83 176.79 1u0g h PHE 131 N 0.16 0.60 -0.69 2.24 3.57 -1.03 -2.07 116.94 119.72 1u0g h PHE 131 Ca 0.08 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.60 1u0g h PHE 131 Cb 0.04 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 1u0g h PHE 131 CO -0.11 0.42 0.44 0.00 -2.23 0.00 0.00 178.31 176.83 1u0g h GLN 133 N 0.87 0.71 -0.67 0.00 4.20 -1.13 0.13 115.11 119.22 1u0g h GLN 133 Ca 0.27 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 1u0g h GLN 133 Cb -0.01 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 1u0g h GLN 133 CO -0.09 0.57 0.16 0.00 -0.67 0.00 0.00 178.83 178.80 1u0g h ARG 134 N 0.66 1.07 -0.00 1.46 3.08 -0.91 -1.83 114.38 117.91 1u0g h ARG 134 Ca 0.17 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1u0g h ARG 134 Cb 0.08 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1u0g h ARG 134 CO -0.03 0.96 -0.02 0.28 -1.07 0.00 0.00 179.97 180.09 1u0g h VAL 135 N 1.00 1.57 -0.00 2.04 2.07 -0.88 0.83 116.25 122.88 1u0g h VAL 135 Ca 0.21 -1.71 -0.08 0.00 0.82 0.00 0.00 66.70 65.93 1u0g h VAL 135 Cb 0.37 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1u0g h VAL 135 CO 0.00 0.45 -0.40 0.03 0.02 0.00 0.00 177.57 177.67 1u0g h ARG 136 N -0.70 0.01 0.00 1.57 3.08 -0.76 -2.33 114.38 115.25 1u0g h ARG 136 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1u0g h ARG 136 Cb 0.74 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1u0g h ARG 136 CO 0.00 0.40 0.00 0.66 -1.07 0.00 0.00 179.97 179.97 1u0g h SER 137 N 0.01 0.00 0.00 7.04 4.64 -1.45 -3.47 113.55 120.31 1u0g h SER 137 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u0g h SER 137 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1u0g h SER 137 CO 0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1u0g n GLY 138 N 0.50 0.80 0.19 -0.77 0.00 -0.88 -4.96 105.19 100.07 1u0g n GLY 138 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1u0g n GLY 138 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1u0g h ASP 139 N 0.00 0.53 -2.64 1.61 -0.00 -1.65 -3.42 116.42 110.84 1u0g h ASP 139 Ca 0.00 -0.07 -0.55 0.00 -0.00 0.00 0.00 57.03 56.41 1u0g h ASP 139 Cb 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.19 1u0g h ASP 139 CO 0.00 0.45 1.06 0.86 -0.00 0.00 0.00 179.24 181.61 1u0g s TRP 140 N -5.93 2.08 0.02 0.28 -0.11 0.23 -5.00 118.94 110.51 1u0g s TRP 140 Ca -0.13 0.26 0.03 0.00 1.22 0.00 0.00 56.10 57.48 1u0g s TRP 140 Cb 0.11 -3.89 -0.04 0.00 -1.50 0.00 0.00 33.47 28.15 1u0g s TRP 140 CO 0.74 -3.70 -0.04 0.15 -4.62 0.00 0.00 176.95 169.47 1u0g s LYS 141 N 3.84 2.59 0.81 5.86 -0.14 -1.26 -3.82 119.74 127.62 1u0g s LYS 141 Ca 0.72 -0.72 -0.14 0.00 -1.36 0.00 0.00 55.97 54.47 1u0g s LYS 141 Cb -0.33 -2.54 0.20 0.00 -1.68 0.00 0.00 37.83 33.48 1u0g s LYS 141 CO 0.29 0.60 0.87 0.41 -0.76 0.00 0.00 175.35 176.76 1u0g n GLY 142 N 1.36 -2.13 0.18 -3.33 0.00 0.61 -4.85 105.19 97.03 1u0g n GLY 142 Ca -0.15 -1.58 0.14 0.00 0.00 0.00 0.00 46.02 44.43 1u0g n GLY 142 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1u0g h TYR 143 N -2.03 0.00 -0.45 1.61 -0.00 -1.88 0.04 116.97 114.25 1u0g h TYR 143 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.42 1u0g h TYR 143 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.62 1u0g h TYR 143 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.41 1u0g n THR 144 N -2.50 0.66 -1.14 -0.90 -2.24 -1.26 -4.97 114.28 101.93 1u0g n THR 144 Ca 0.02 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1u0g n THR 144 Cb 0.25 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 1u0g n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u0g n GLY 145 N 1.36 0.60 3.81 3.38 0.00 0.00 -5.07 105.19 109.27 1u0g n GLY 145 Ca 0.19 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 1u0g n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0g s LYS 146 N -2.38 3.08 0.70 1.61 1.02 -1.26 -4.80 119.74 117.70 1u0g s LYS 146 Ca 0.00 -0.54 -0.15 0.00 0.02 0.00 0.00 55.97 55.30 1u0g s LYS 146 Cb 0.00 -2.85 0.02 0.00 -0.52 0.00 0.00 37.83 34.48 1u0g s LYS 146 CO 0.00 0.61 1.15 -1.12 -0.92 0.00 0.00 175.35 175.08 1u0g s SER 147 N -2.12 4.65 0.05 2.83 0.01 -1.26 -0.28 113.70 117.58 1u0g s SER 147 Ca 0.27 2.17 -0.30 0.00 1.31 0.00 0.00 55.95 59.40 1u0g s SER 147 Cb -0.12 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.49 1u0g s SER 147 CO 0.20 -1.95 1.04 -0.63 0.41 0.00 0.00 173.24 172.31 1u0g s ILE 148 N -2.17 4.52 -0.03 1.44 -1.09 -1.25 -4.74 121.20 117.88 1u0g s ILE 148 Ca 0.70 1.88 0.08 0.00 -2.23 0.00 0.00 60.65 61.09 1u0g s ILE 148 Cb -0.24 -4.21 -0.12 0.00 -1.58 0.00 0.00 42.46 36.31 1u0g s ILE 148 CO 0.43 0.19 0.18 0.35 -1.23 0.00 0.00 174.94 174.86 1u0g n THR 149 N 3.57 0.00 -3.98 2.92 -2.24 -0.42 -4.87 114.28 109.26 1u0g n THR 149 Ca 0.06 -0.19 -0.17 0.00 -2.27 0.00 0.00 64.05 61.47 1u0g n THR 149 Cb 0.49 0.35 -0.16 0.00 -2.10 0.00 0.00 70.33 68.91 1u0g n THR 149 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1u0g s ASP 150 N -2.87 0.49 -0.15 3.42 1.11 -1.03 -1.66 116.67 115.97 1u0g s ASP 150 Ca -0.03 -0.04 -0.04 0.00 0.18 0.00 0.00 52.55 52.61 1u0g s ASP 150 Cb 0.05 -0.25 -0.03 0.00 1.07 0.00 0.00 42.92 43.76 1u0g s ASP 150 CO 0.33 -0.08 -0.00 -0.63 1.18 0.00 0.00 175.17 175.97 1u0g s ILE 151 N 0.92 4.21 -0.26 0.77 -1.09 0.37 -0.91 121.20 125.21 1u0g s ILE 151 Ca -0.10 -0.25 0.01 0.00 -2.23 0.00 0.00 60.65 58.09 1u0g s ILE 151 Cb -0.13 -2.85 0.07 0.00 -1.58 0.00 0.00 42.46 37.97 1u0g s ILE 151 CO -0.01 0.50 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.52 1u0g s ILE 152 N 0.19 1.71 -0.08 2.92 1.09 -0.08 -0.10 121.20 126.85 1u0g s ILE 152 Ca 0.00 -1.45 -0.30 0.00 -1.10 0.00 0.00 60.65 57.81 1u0g s ILE 152 Cb -0.13 -1.99 -0.02 0.00 -1.06 0.00 0.00 42.46 39.26 1u0g s ILE 152 CO 0.02 -0.18 1.03 0.21 -0.10 0.00 0.00 174.94 175.92 1u0g s ASN 153 N 1.29 7.24 -0.24 3.58 2.47 -0.19 -0.00 114.94 129.09 1u0g s ASN 153 Ca -0.04 1.60 -0.01 0.00 0.42 0.00 0.00 52.86 54.83 1u0g s ASN 153 Cb -0.19 -2.56 0.03 0.00 -1.45 0.00 0.00 41.25 37.08 1u0g s ASN 153 CO -0.07 -0.43 -0.09 -0.63 -3.72 0.00 0.00 177.10 172.16 1u0g s ILE 154 N 1.83 2.69 -0.15 -5.21 1.01 0.99 -0.53 121.20 121.83 1u0g s ILE 154 Ca 0.50 -1.06 -0.35 0.00 0.00 0.00 0.00 60.65 59.74 1u0g s ILE 154 Cb -0.20 -2.36 0.15 0.00 0.01 0.00 0.00 42.46 40.07 1u0g s ILE 154 CO 0.20 0.23 1.42 -0.83 0.00 0.00 0.00 174.94 175.97 1u0g s GLY 155 N 1.30 -0.41 0.06 6.18 0.00 -0.88 -0.49 107.32 113.08 1u0g s GLY 155 Ca 0.00 1.25 0.01 0.00 0.00 0.00 0.00 44.72 45.98 1u0g s GLY 155 CO -0.06 0.32 -0.06 -1.50 0.00 0.00 0.00 173.10 171.80 1u0g s ILE 156 N -2.03 0.50 0.00 0.90 2.07 -1.26 -3.99 121.20 117.38 1u0g s ILE 156 Ca 0.14 -1.55 0.00 0.00 -1.41 0.00 0.00 60.65 57.83 1u0g s ILE 156 Cb 0.05 -1.18 0.00 0.00 0.13 0.00 0.00 42.46 41.46 1u0g s ILE 156 CO -0.05 -0.71 0.00 0.61 -1.91 0.00 0.00 174.94 172.87 1u0g n GLY 157 N 0.61 4.02 0.31 1.50 0.00 -1.26 -1.62 105.19 108.75 1u0g n GLY 157 Ca -0.17 0.12 0.18 0.00 0.00 0.00 0.00 46.02 46.15 1u0g n GLY 157 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u0g h GLY 158 N 0.00 0.00 -2.02 -0.02 0.00 -1.97 -0.24 103.07 98.81 1u0g h GLY 158 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u0g h GLY 158 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1u0g n SER 159 N -3.46 3.01 0.10 0.19 7.64 -0.64 -4.55 113.62 115.91 1u0g n SER 159 Ca -0.03 -2.23 0.00 0.00 1.01 0.00 0.00 58.87 57.63 1u0g n SER 159 Cb 0.12 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1u0g n SER 159 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1u0g n ASP 160 N 0.64 0.07 0.06 6.43 2.03 -0.24 -4.18 116.55 121.36 1u0g n ASP 160 Ca 0.16 0.35 -0.03 0.00 0.52 0.00 0.00 54.79 55.79 1u0g n ASP 160 Cb 0.56 0.22 0.22 0.00 -0.72 0.00 0.00 41.12 41.40 1u0g n ASP 160 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1u0g h LEU 161 N 0.00 0.36 0.74 -2.67 5.85 -1.41 -1.86 115.31 116.31 1u0g h LEU 161 Ca 0.00 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1u0g h LEU 161 Cb 0.04 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 40.98 1u0g h LEU 161 CO 0.00 0.67 -0.35 1.23 -0.34 0.00 0.00 178.44 179.65 1u0g h GLY 162 N 1.09 -1.03 0.27 3.75 0.00 -1.81 0.12 103.07 105.46 1u0g h GLY 162 Ca 0.04 0.38 0.15 0.00 0.00 0.00 0.00 47.33 47.90 1u0g h GLY 162 CO 0.06 -0.38 0.54 -2.55 0.00 0.00 0.00 176.54 174.21 1u0g h PRO 163 N -1.11 0.74 0.43 4.80 0.11 -1.86 -0.57 132.00 134.53 1u0g h PRO 163 Ca -0.10 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 1u0g h PRO 163 Cb 0.76 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1u0g h PRO 163 CO 0.17 0.49 -0.21 1.25 -0.21 0.00 0.00 178.00 179.49 1u0g h LEU 164 N 0.76 -0.49 -0.68 2.35 6.46 -1.29 -1.24 115.31 121.20 1u0g h LEU 164 Ca 0.50 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.23 1u0g h LEU 164 Cb 0.67 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.70 1u0g h LEU 164 CO -0.34 -0.27 0.43 -0.03 -0.62 0.00 0.00 178.44 177.60 1u0g h MET 165 N -0.67 0.91 -0.28 1.25 4.05 -0.40 -1.68 114.93 118.10 1u0g h MET 165 Ca -0.06 -0.07 -0.13 0.00 -0.28 0.00 0.00 59.70 59.16 1u0g h MET 165 Cb 0.49 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1u0g h MET 165 CO 0.10 0.62 -0.35 0.28 0.23 0.00 0.00 176.91 177.79 1u0g h VAL 166 N 0.92 1.30 -0.33 -5.77 2.07 -1.11 -0.27 116.25 113.06 1u0g h VAL 166 Ca 0.25 -1.54 -0.06 0.00 0.82 0.00 0.00 66.70 66.17 1u0g h VAL 166 Cb -0.07 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1u0g h VAL 166 CO -0.05 0.49 -0.05 0.71 0.02 0.00 0.00 177.57 178.69 1u0g h THR 167 N 0.47 1.21 -0.20 2.57 1.35 -1.09 -0.41 112.91 116.81 1u0g h THR 167 Ca 0.03 -0.88 -0.03 0.00 -0.55 0.00 0.00 66.41 64.98 1u0g h THR 167 Cb 0.94 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 1u0g h THR 167 CO 0.08 0.30 0.01 -0.33 -0.25 0.00 0.00 175.52 175.33 1u0g h GLU 168 N 0.50 0.35 -0.06 4.72 4.39 -1.15 -2.32 114.58 121.00 1u0g h GLU 168 Ca 0.10 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1u0g h GLU 168 Cb 0.40 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1u0g h GLU 168 CO 0.02 0.53 -0.23 0.00 -1.16 0.00 0.00 179.01 178.17 1u0g h ALA 169 N 0.80 1.51 -0.41 3.43 0.00 -0.67 -3.03 119.26 120.88 1u0g h ALA 169 Ca 0.06 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1u0g h ALA 169 Cb 0.37 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1u0g h ALA 169 CO 0.01 0.36 0.05 1.28 0.00 0.00 0.00 179.25 180.95 1u0g n LEU 170 N -4.22 4.58 -0.32 0.00 4.77 -0.19 -4.76 117.00 116.86 1u0g n LEU 170 Ca -0.02 -3.22 0.18 0.00 -0.03 0.00 0.00 56.01 52.92 1u0g n LEU 170 Cb 0.31 -0.62 0.38 0.00 -2.33 0.00 0.00 43.42 41.16 1u0g n LEU 170 CO 0.38 0.83 1.06 0.50 -1.33 0.00 0.00 177.39 178.82 1u0g h LYS 171 N 1.94 0.32 0.00 3.23 1.63 -1.29 0.45 116.57 122.86 1u0g h LYS 171 Ca 0.11 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1u0g h LYS 171 Cb 1.74 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.30 1u0g h LYS 171 CO 0.40 0.21 0.00 -2.30 -3.45 0.00 0.00 179.45 174.31 1u0g n PRO 172 N -5.09 0.08 -0.22 1.90 -0.02 -1.26 -1.79 135.00 128.60 1u0g n PRO 172 Ca 0.26 0.44 0.11 0.00 -2.02 0.00 0.00 63.50 62.29 1u0g n PRO 172 Cb 0.81 -1.70 0.27 0.00 -0.02 0.00 0.00 33.50 32.86 1u0g n PRO 172 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1u0g n TYR 173 N -1.86 0.59 -0.13 6.00 4.02 0.15 -4.26 117.16 121.67 1u0g n TYR 173 Ca 0.01 -0.29 0.10 0.00 -0.01 0.00 0.00 57.90 57.71 1u0g n TYR 173 Cb 0.12 0.00 0.24 0.00 -0.02 0.00 0.00 39.34 39.67 1u0g n TYR 173 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1u0g n SER 174 N 1.17 3.47 -4.71 7.72 3.41 -0.74 -4.49 113.62 119.45 1u0g n SER 174 Ca 0.19 -1.97 -0.43 0.00 -0.26 0.00 0.00 58.87 56.40 1u0g n SER 174 Cb 0.51 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 1u0g n SER 174 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1u0g n LYS 175 N 1.25 2.35 0.00 4.33 5.02 -1.26 -1.48 118.16 128.37 1u0g n LYS 175 Ca 0.19 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 1u0g n LYS 175 Cb 0.55 -2.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 1u0g n LYS 175 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u0g n GLY 176 N 1.94 2.34 3.74 0.72 0.00 -1.26 -5.01 105.19 107.67 1u0g n GLY 176 Ca 0.09 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1u0g n GLY 176 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u0g s GLY 177 N -0.64 1.63 0.71 -0.02 0.00 -0.55 -5.02 107.32 103.44 1u0g s GLY 177 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 44.72 44.60 1u0g s GLY 177 CO 0.00 0.45 1.09 2.56 0.00 0.00 0.00 173.10 177.20 1u0g s PRO 178 N -4.95 2.58 0.54 2.90 0.04 -1.26 -5.00 135.00 129.85 1u0g s PRO 178 Ca 0.62 1.25 -0.21 0.00 0.04 0.00 0.00 61.00 62.70 1u0g s PRO 178 Cb -0.17 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1u0g s PRO 178 CO 0.56 -1.40 1.23 1.03 0.04 0.00 0.00 177.00 178.47 1u0g s ARG 179 N -4.54 3.27 -0.03 4.56 0.52 -0.66 -4.76 118.95 117.31 1u0g s ARG 179 Ca 0.63 1.92 0.07 0.00 -0.52 0.00 0.00 55.73 57.83 1u0g s ARG 179 Cb -0.18 -2.17 -0.01 0.00 0.52 0.00 0.00 34.95 33.11 1u0g s ARG 179 CO 0.49 -0.99 -0.23 0.54 0.02 0.00 0.00 175.30 175.13 1u0g s VAL 180 N -1.50 1.82 0.11 3.52 0.11 -1.26 -0.48 120.40 122.72 1u0g s VAL 180 Ca 0.71 -0.97 0.08 0.00 -2.93 0.00 0.00 61.98 58.87 1u0g s VAL 180 Cb -0.32 -1.52 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 1u0g s VAL 180 CO 0.37 0.51 -0.20 0.26 -3.33 0.00 0.00 175.10 172.71 1u0g s TRP 181 N -0.40 1.78 -0.16 1.54 0.52 0.86 -4.96 118.94 118.12 1u0g s TRP 181 Ca 0.05 -0.42 0.00 0.00 0.02 0.00 0.00 56.10 55.75 1u0g s TRP 181 Cb -0.10 -0.97 0.03 0.00 -1.15 0.00 0.00 33.47 31.28 1u0g s TRP 181 CO 0.00 0.21 -0.11 -0.06 0.02 0.00 0.00 176.95 177.02 1u0g s PHE 182 N -1.25 2.12 -0.14 -1.98 0.40 -1.26 -1.02 117.98 114.85 1u0g s PHE 182 Ca 0.07 -1.27 -0.02 0.00 -0.60 0.00 0.00 56.93 55.11 1u0g s PHE 182 Cb -0.10 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.87 1u0g s PHE 182 CO 0.04 -0.67 -0.07 0.08 0.70 0.00 0.00 175.22 175.30 1u0g s VAL 183 N 1.50 3.62 0.06 -0.44 1.01 0.31 -4.98 120.40 121.47 1u0g s VAL 183 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1u0g s VAL 183 Cb -0.14 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1u0g s VAL 183 CO -0.09 0.51 0.00 -1.54 0.00 0.00 0.00 175.10 173.98 1u0g n SER 184 N 3.38 -0.12 -4.76 3.32 3.41 -1.26 -2.08 113.62 115.51 1u0g n SER 184 Ca -0.18 0.10 -0.39 0.00 -0.26 0.00 0.00 58.87 58.14 1u0g n SER 184 Cb 0.53 0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.69 1u0g n SER 184 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1u0g s ASN 185 N -4.68 5.69 0.31 4.04 3.84 -1.26 -4.67 114.94 118.21 1u0g s ASN 185 Ca 0.00 2.87 0.06 0.00 0.21 0.00 0.00 52.86 56.01 1u0g s ASN 185 Cb 0.00 -2.65 0.53 0.00 -0.55 0.00 0.00 41.25 38.58 1u0g s ASN 185 CO 0.00 -1.30 1.76 -0.29 -2.79 0.00 0.00 177.10 174.48 1u0g h ILE 186 N 2.04 1.27 -0.58 -5.21 6.09 -1.98 -3.44 117.51 115.70 1u0g h ILE 186 Ca -0.51 -1.28 -0.80 0.00 -1.37 0.00 0.00 64.86 60.91 1u0g h ILE 186 Cb 1.28 1.49 -0.01 0.00 0.47 0.00 0.00 36.82 40.05 1u0g h ILE 186 CO 0.60 0.39 0.89 -0.67 -3.07 0.00 0.00 178.15 176.29 1u0g n ASP 187 N -4.11 0.98 0.27 2.19 4.64 -1.26 -4.74 116.55 114.52 1u0g n ASP 187 Ca -0.01 0.94 0.18 0.00 -1.38 0.00 0.00 54.79 54.52 1u0g n ASP 187 Cb 0.41 -0.84 0.91 0.00 -1.04 0.00 0.00 41.12 40.56 1u0g n ASP 187 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1u0g h GLY 188 N 6.23 0.00 0.17 0.27 0.00 -2.02 -1.09 103.07 106.63 1u0g h GLY 188 Ca -0.29 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.20 1u0g h GLY 188 CO 0.97 0.00 0.49 -0.84 0.00 0.00 0.00 176.54 177.16 1u0g h THR 189 N 0.00 0.71 0.49 4.70 2.02 -1.94 -0.64 112.91 118.25 1u0g h THR 189 Ca 0.05 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1u0g h THR 189 Cb 0.48 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1u0g h THR 189 CO -0.00 0.12 -0.24 -0.74 0.37 0.00 0.00 175.52 175.03 1u0g h HIS 190 N 0.66 -0.61 -0.39 3.16 2.76 -1.49 -1.55 115.15 117.69 1u0g h HIS 190 Ca 0.51 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.54 1u0g h HIS 190 Cb 0.75 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 1u0g h HIS 190 CO -0.07 -0.30 -0.26 0.97 -1.30 0.00 0.00 177.93 176.98 1u0g h ILE 191 N -0.88 1.27 -0.14 6.26 6.09 -1.72 -2.97 117.51 125.42 1u0g h ILE 191 Ca -0.07 -1.40 0.00 0.00 -1.37 0.00 0.00 64.86 62.03 1u0g h ILE 191 Cb 0.59 1.25 -0.01 0.00 0.47 0.00 0.00 36.82 39.12 1u0g h ILE 191 CO 0.11 0.47 0.09 0.00 -3.07 0.00 0.00 178.15 175.75 1u0g h ALA 192 N 1.00 0.18 0.00 0.18 0.00 -1.02 0.10 119.26 119.70 1u0g h ALA 192 Ca 0.09 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1u0g h ALA 192 Cb 0.79 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1u0g h ALA 192 CO 0.07 -0.33 -0.43 1.57 0.00 0.00 0.00 179.25 180.13 1u0g h LYS 193 N 0.18 0.00 0.16 0.00 2.10 -1.36 -1.73 116.57 115.92 1u0g h LYS 193 Ca 0.05 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.69 1u0g h LYS 193 Cb -0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1u0g h LYS 193 CO -0.01 0.43 -0.08 1.15 -2.00 0.00 0.00 179.45 178.94 1u0g h THR 194 N 0.00 0.97 -0.10 0.07 2.02 -1.31 -3.27 112.91 111.29 1u0g h THR 194 Ca -0.00 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.26 1u0g h THR 194 Cb 1.05 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 1u0g h THR 194 CO 0.06 0.20 -0.07 -0.07 0.37 0.00 0.00 175.52 176.01 1u0g h LEU 195 N -0.67 0.13 -2.47 2.58 3.38 -0.72 -1.95 115.31 115.60 1u0g h LEU 195 Ca -0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1u0g h LEU 195 Cb 0.49 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1u0g h LEU 195 CO 0.04 0.23 -0.01 0.00 0.09 0.00 0.00 178.44 178.78 1u0g h ALA 196 N 1.79 1.45 -0.70 1.53 0.00 -1.36 -2.00 119.26 119.97 1u0g h ALA 196 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1u0g h ALA 196 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1u0g h ALA 196 CO 0.01 0.01 0.00 0.43 0.00 0.00 0.00 179.25 179.71 1u0g n SER 197 N -3.75 4.27 -4.27 0.00 7.64 -0.73 -4.99 113.62 111.78 1u0g n SER 197 Ca -0.03 -2.18 -0.15 0.00 1.01 0.00 0.00 58.87 57.52 1u0g n SER 197 Cb 0.10 -0.52 -0.10 0.00 -1.01 0.00 0.00 64.21 62.67 1u0g n SER 197 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1u0g s LEU 198 N -1.33 2.53 -0.11 -3.43 1.43 -0.75 -5.11 118.68 111.90 1u0g s LEU 198 Ca 0.50 -1.01 -0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1u0g s LEU 198 Cb 0.28 -0.42 -0.02 0.00 0.03 0.00 0.00 46.19 46.06 1u0g s LEU 198 CO 0.30 -0.29 -0.09 -0.55 0.23 0.00 0.00 176.35 175.95 1u0g s SER 199 N -3.18 4.44 0.54 2.29 0.15 -1.26 -5.00 113.70 111.68 1u0g s SER 199 Ca 0.18 -0.16 0.23 0.00 0.70 0.00 0.00 55.95 56.90 1u0g s SER 199 Cb 0.02 -1.43 1.42 0.00 -1.71 0.00 0.00 66.02 64.32 1u0g s SER 199 CO 0.02 0.25 2.08 -0.65 1.20 0.00 0.00 173.24 176.14 1u0g h PRO 200 N 6.08 0.00 0.00 5.44 0.11 -1.94 -2.48 132.00 139.21 1u0g h PRO 200 Ca -0.37 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 1u0g h PRO 200 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1u0g h PRO 200 CO 0.56 0.00 -0.16 0.93 -0.21 0.00 0.00 178.00 179.12 1u0g h GLU 201 N 0.00 0.00 0.00 1.05 5.08 -1.97 -3.30 114.58 115.44 1u0g h GLU 201 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1u0g h GLU 201 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1u0g h GLU 201 CO -0.00 0.16 -0.04 0.25 -1.00 0.00 0.00 179.01 178.38 1u0g n THR 202 N -3.96 0.62 -4.20 1.13 -2.24 -0.96 -4.30 114.28 100.37 1u0g n THR 202 Ca -0.02 -0.65 -0.34 0.00 -2.27 0.00 0.00 64.05 60.77 1u0g n THR 202 Cb 0.25 0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 69.01 1u0g n THR 202 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1u0g s SER 203 N -0.78 5.33 -0.19 3.42 0.01 -1.07 -1.30 113.70 119.12 1u0g s SER 203 Ca 0.03 0.05 -0.02 0.00 1.31 0.00 0.00 55.95 57.32 1u0g s SER 203 Cb 0.02 -1.81 -0.00 0.00 0.21 0.00 0.00 66.02 64.45 1u0g s SER 203 CO 0.00 0.23 -0.10 -0.22 0.41 0.00 0.00 173.24 173.56 1u0g s LEU 204 N 0.03 2.64 -0.11 2.44 2.96 -0.09 -4.80 118.68 121.75 1u0g s LEU 204 Ca 0.04 -0.45 -0.13 0.00 -0.22 0.00 0.00 54.13 53.37 1u0g s LEU 204 Cb -0.13 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 1u0g s LEU 204 CO 0.02 0.02 0.29 -0.36 -1.32 0.00 0.00 176.35 174.99 1u0g s PHE 205 N 1.21 3.55 -0.28 5.38 0.40 0.13 -0.91 117.98 127.48 1u0g s PHE 205 Ca 0.02 0.67 -0.03 0.00 -0.60 0.00 0.00 56.93 56.99 1u0g s PHE 205 Cb -0.14 -2.25 0.03 0.00 0.51 0.00 0.00 43.02 41.17 1u0g s PHE 205 CO -0.04 0.43 -0.00 0.42 0.70 0.00 0.00 175.22 176.73 1u0g s ILE 206 N -0.19 3.24 -0.47 0.64 1.01 0.99 -1.19 121.20 125.23 1u0g s ILE 206 Ca 0.18 -1.03 -0.17 0.00 0.00 0.00 0.00 60.65 59.63 1u0g s ILE 206 Cb -0.14 -2.71 0.05 0.00 0.01 0.00 0.00 42.46 39.68 1u0g s ILE 206 CO 0.06 0.07 0.49 -0.63 0.00 0.00 0.00 174.94 174.94 1u0g s ILE 207 N 1.36 5.06 -0.37 2.92 -1.09 0.62 -0.01 121.20 129.68 1u0g s ILE 207 Ca -0.01 -0.66 -0.09 0.00 -2.23 0.00 0.00 60.65 57.66 1u0g s ILE 207 Cb -0.18 -4.17 0.04 0.00 -1.58 0.00 0.00 42.46 36.58 1u0g s ILE 207 CO -0.01 -0.62 0.19 0.00 -1.23 0.00 0.00 174.94 173.26 1u0g s ALA 208 N 2.15 3.22 -0.30 9.38 0.00 0.36 -1.07 121.76 135.50 1u0g s ALA 208 Ca 0.10 -1.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.23 1u0g s ALA 208 Cb -0.20 -2.52 0.18 0.00 0.00 0.00 0.00 23.12 20.58 1u0g s ALA 208 CO 0.10 -1.43 0.59 0.45 0.00 0.00 0.00 175.76 175.48 1u0g s SER 209 N 1.62 -1.31 0.18 0.00 0.15 -0.31 -4.31 113.70 109.74 1u0g s SER 209 Ca 0.01 0.90 -0.18 0.00 0.70 0.00 0.00 55.95 57.39 1u0g s SER 209 Cb -0.20 2.14 0.13 0.00 -1.71 0.00 0.00 66.02 66.38 1u0g s SER 209 CO 0.05 -0.26 1.63 0.50 1.20 0.00 0.00 173.24 176.36 1u0g h LYS 210 N 8.01 -0.10 0.00 5.44 3.64 -1.94 -2.65 116.57 128.97 1u0g h LYS 210 Ca -0.22 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.06 1u0g h LYS 210 Cb 1.16 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1u0g h LYS 210 CO 0.25 -0.06 -0.89 1.79 -2.27 0.00 0.00 179.45 178.26 1u0g h THR 211 N -0.10 0.52 -3.55 1.00 1.35 -1.96 -1.93 112.91 108.23 1u0g h THR 211 Ca 0.22 -1.84 -0.32 0.00 -0.55 0.00 0.00 66.41 63.92 1u0g h THR 211 Cb 0.44 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 1u0g h THR 211 CO -0.53 0.29 -0.41 0.33 -0.25 0.00 0.00 175.52 174.95 1u0g n PHE 212 N -3.00 -1.27 -0.31 4.73 7.35 -1.00 -4.68 117.46 119.29 1u0g n PHE 212 Ca -0.03 0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1u0g n PHE 212 Cb 0.73 -3.27 0.00 0.00 0.35 0.00 0.00 39.48 37.29 1u0g n PHE 212 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1u0g n THR 213 N -3.66 0.00 -1.70 -2.13 -2.24 -1.26 -4.83 114.28 98.46 1u0g n THR 213 Ca -0.18 -0.21 -0.44 0.00 -2.27 0.00 0.00 64.05 60.95 1u0g n THR 213 Cb 0.64 1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 70.14 1u0g n THR 213 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1u0g n THR 214 N -0.20 0.10 0.00 4.28 -1.04 -1.26 -4.86 114.28 111.30 1u0g n THR 214 Ca 0.00 -0.03 -0.11 0.00 -2.04 0.00 0.00 64.05 61.88 1u0g n THR 214 Cb 0.08 -1.79 -0.05 0.00 -1.82 0.00 0.00 70.33 66.75 1u0g n THR 214 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1u0g h GLN 215 N 6.20 0.06 -0.44 -2.82 4.15 -1.98 -1.03 115.11 119.25 1u0g h GLN 215 Ca -0.44 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.00 1u0g h GLN 215 Cb 1.23 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.87 1u0g h GLN 215 CO 0.91 0.04 0.25 0.93 -1.93 0.00 0.00 178.83 179.03 1u0g h GLU 216 N 0.06 0.49 -0.15 1.69 3.07 -1.91 -1.40 114.58 116.43 1u0g h GLU 216 Ca 0.04 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.80 1u0g h GLU 216 Cb 0.03 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.83 1u0g h GLU 216 CO -0.05 0.33 -0.17 1.15 -1.40 0.00 0.00 179.01 178.86 1u0g h THR 217 N 0.51 1.35 -0.55 1.13 2.02 -1.76 -0.68 112.91 114.93 1u0g h THR 217 Ca 0.18 -1.36 -0.11 0.00 0.77 0.00 0.00 66.41 65.89 1u0g h THR 217 Cb 0.03 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1u0g h THR 217 CO -0.09 0.40 -0.07 0.40 0.37 0.00 0.00 175.52 176.53 1u0g h ILE 218 N -0.00 1.27 -0.00 3.11 1.08 -1.18 0.91 117.51 122.69 1u0g h ILE 218 Ca 0.02 -1.22 -0.00 0.00 -0.39 0.00 0.00 64.86 63.27 1u0g h ILE 218 Cb 0.72 0.92 -0.00 0.00 -3.07 0.00 0.00 36.82 35.39 1u0g h ILE 218 CO 0.04 0.43 0.00 0.74 -0.69 0.00 0.00 178.15 178.68 1u0g h THR 219 N 0.91 1.18 -0.79 -0.27 2.02 -1.23 0.12 112.91 114.85 1u0g h THR 219 Ca 0.15 -0.54 0.11 0.00 0.77 0.00 0.00 66.41 66.90 1u0g h THR 219 Cb 0.63 1.55 -0.08 0.00 -1.74 0.00 0.00 68.15 68.51 1u0g h THR 219 CO 0.04 0.14 0.41 0.78 0.37 0.00 0.00 175.52 177.27 1u0g h ASN 220 N -0.23 0.55 -0.54 4.18 2.35 -1.05 -0.82 115.58 120.01 1u0g h ASN 220 Ca 0.00 0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 1u0g h ASN 220 Cb 0.23 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1u0g h ASN 220 CO 0.00 0.29 -0.01 0.00 -1.65 0.00 0.00 177.43 176.06 1u0g h ALA 221 N 1.48 0.91 -0.45 -0.83 0.00 -0.54 -0.90 119.26 118.93 1u0g h ALA 221 Ca 0.40 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1u0g h ALA 221 Cb 0.46 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1u0g h ALA 221 CO -0.29 0.65 -0.18 0.93 0.00 0.00 0.00 179.25 180.36 1u0g h GLU 222 N 0.91 0.88 -0.62 0.00 5.08 -0.63 -0.40 114.58 119.80 1u0g h GLU 222 Ca 0.16 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1u0g h GLU 222 Cb 0.54 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1u0g h GLU 222 CO 0.03 0.98 0.26 1.15 -1.00 0.00 0.00 179.01 180.43 1u0g h THR 223 N 0.77 1.23 -0.44 1.13 2.02 -0.90 -0.09 112.91 116.62 1u0g h THR 223 Ca 0.11 -0.70 -0.05 0.00 0.77 0.00 0.00 66.41 66.55 1u0g h THR 223 Cb 0.71 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1u0g h THR 223 CO 0.05 0.28 0.09 0.00 0.37 0.00 0.00 175.52 176.31 1u0g h ALA 224 N 1.10 0.59 -0.64 6.16 0.00 -1.03 -1.44 119.26 124.00 1u0g h ALA 224 Ca 0.21 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1u0g h ALA 224 Cb 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1u0g h ALA 224 CO -0.02 0.29 0.12 -0.22 0.00 0.00 0.00 179.25 179.42 1u0g h LYS 225 N 0.59 1.04 -0.36 0.00 3.64 -0.88 0.47 116.57 121.06 1u0g h LYS 225 Ca 0.14 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1u0g h LYS 225 Cb 0.35 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1u0g h LYS 225 CO 0.00 0.94 0.15 1.49 -2.27 0.00 0.00 179.45 179.76 1u0g h GLU 226 N 0.98 0.54 -0.66 1.90 4.81 -0.86 0.19 114.58 121.47 1u0g h GLU 226 Ca 0.20 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1u0g h GLU 226 Cb 0.40 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1u0g h GLU 226 CO 0.01 0.52 0.42 2.35 -0.73 0.00 0.00 179.01 181.58 1u0g h TRP 227 N 0.44 0.85 -0.15 0.92 7.01 -1.04 -1.01 115.95 122.97 1u0g h TRP 227 Ca 0.12 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 1u0g h TRP 227 Cb 0.18 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.95 1u0g h TRP 227 CO -0.00 0.55 0.02 0.35 -2.79 0.00 0.00 178.44 176.57 1u0g h PHE 228 N 0.90 0.26 0.00 2.65 3.57 -0.64 -3.15 116.94 120.53 1u0g h PHE 228 Ca 0.24 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1u0g h PHE 228 Cb -0.07 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1u0g h PHE 228 CO -0.02 0.43 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.13 1u0g h LEU 229 N 0.02 0.00 -1.91 0.59 3.38 -0.83 0.65 115.31 117.21 1u0g h LEU 229 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1u0g h LEU 229 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1u0g h LEU 229 CO 0.00 0.29 -0.07 -0.33 0.09 0.00 0.00 178.44 178.42 1u0g h GLU 230 N 0.00 0.00 0.02 1.13 5.08 -1.14 0.72 114.58 120.39 1u0g h GLU 230 Ca -0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 1u0g h GLU 230 Cb 0.86 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 1u0g h GLU 230 CO 0.04 0.07 -2.03 0.00 -1.00 0.00 0.00 179.01 176.09 1u0g n ALA 231 N -2.49 1.05 0.05 3.43 0.00 -0.87 -4.60 120.51 117.07 1u0g n ALA 231 Ca -0.03 -0.81 -0.20 0.00 0.00 0.00 0.00 53.44 52.40 1u0g n ALA 231 Cb 0.15 -0.28 -0.10 0.00 0.00 0.00 0.00 19.45 19.22 1u0g n ALA 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u0g h ALA 232 N -0.46 0.13 -3.29 0.00 0.00 -0.90 -3.48 119.26 111.27 1u0g h ALA 232 Ca -0.52 -0.71 -0.41 0.00 0.00 0.00 0.00 54.91 53.27 1u0g h ALA 232 Cb 1.65 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1u0g h ALA 232 CO -0.20 0.70 -0.54 1.63 0.00 0.00 0.00 179.25 180.83 1u0g n LYS 233 N -3.84 -2.24 -3.35 0.00 5.02 0.24 -4.96 118.16 109.02 1u0g n LYS 233 Ca -0.11 0.98 -0.09 0.00 -2.02 0.00 0.00 58.31 57.07 1u0g n LYS 233 Cb 0.89 -5.68 -0.08 0.00 -0.02 0.00 0.00 35.03 30.14 1u0g n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1u0g s ASP 234 N -2.16 0.31 0.54 4.39 3.68 -1.26 -5.02 116.67 117.15 1u0g s ASP 234 Ca 0.05 0.14 0.23 0.00 2.13 0.00 0.00 52.55 55.11 1u0g s ASP 234 Cb -0.02 1.08 1.50 0.00 -1.45 0.00 0.00 42.92 44.03 1u0g s ASP 234 CO 0.06 -0.31 2.16 -0.65 0.13 0.00 0.00 175.17 176.57 1u0g h PRO 235 N 8.19 0.00 0.00 4.34 0.11 -1.97 -0.41 132.00 142.26 1u0g h PRO 235 Ca -0.18 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.91 1u0g h PRO 235 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1u0g h PRO 235 CO 0.27 0.05 -0.08 0.77 -0.21 0.00 0.00 178.00 178.80 1u0g h SER 236 N 0.00 0.00 1.26 -2.05 0.02 -2.00 -2.77 113.55 108.01 1u0g h SER 236 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1u0g h SER 236 Cb 0.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 1u0g h SER 236 CO 0.01 0.08 -0.05 0.00 -1.14 0.00 0.00 176.83 175.73 1u0g h ALA 237 N 1.92 0.99 -0.68 3.77 0.00 -1.48 -3.18 119.26 120.60 1u0g h ALA 237 Ca -0.00 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1u0g h ALA 237 Cb 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1u0g h ALA 237 CO 0.01 0.07 0.45 0.28 0.00 0.00 0.00 179.25 180.06 1u0g h VAL 238 N 0.00 0.92 0.00 0.00 2.07 -1.60 -0.90 116.25 116.74 1u0g h VAL 238 Ca -0.00 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1u0g h VAL 238 Cb 0.70 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1u0g h VAL 238 CO 0.01 0.10 -0.01 0.00 0.02 0.00 0.00 177.57 177.68 1u0g h ALA 239 N 1.66 1.27 0.00 1.67 0.00 -1.76 -0.65 119.26 121.44 1u0g h ALA 239 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1u0g h ALA 239 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1u0g h ALA 239 CO -0.10 0.02 -0.59 1.63 0.00 0.00 0.00 179.25 180.21 1u0g n LYS 240 N -3.49 0.16 0.00 0.00 5.02 -0.34 -4.47 118.16 115.04 1u0g n LYS 240 Ca -0.03 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1u0g n LYS 240 Cb 0.10 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1u0g n LYS 240 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1u0g n HIS 241 N -1.82 0.00 -4.20 2.13 8.25 -0.68 -4.76 115.22 114.15 1u0g n HIS 241 Ca 0.04 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.30 1u0g n HIS 241 Cb 0.39 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.34 1u0g n HIS 241 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1u0g s PHE 242 N -0.16 0.75 -0.00 4.41 0.40 -0.34 0.22 117.98 123.26 1u0g s PHE 242 Ca 0.00 -0.20 0.05 0.00 -0.60 0.00 0.00 56.93 56.18 1u0g s PHE 242 Cb 0.00 -0.65 -0.01 0.00 0.51 0.00 0.00 43.02 42.87 1u0g s PHE 242 CO 0.00 -0.17 -0.17 0.14 0.70 0.00 0.00 175.22 175.72 1u0g s VAL 243 N 0.80 1.33 -0.07 -0.44 -7.23 -0.33 -4.75 120.40 109.71 1u0g s VAL 243 Ca -0.11 -0.78 -0.02 0.00 -1.81 0.00 0.00 61.98 59.27 1u0g s VAL 243 Cb -0.14 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 1u0g s VAL 243 CO 0.00 0.33 0.02 0.00 -0.31 0.00 0.00 175.10 175.14 1u0g s ALA 244 N -0.46 3.36 -0.23 1.32 0.00 -0.37 -0.28 121.76 125.10 1u0g s ALA 244 Ca 0.06 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1u0g s ALA 244 Cb -0.07 -1.51 0.05 0.00 0.00 0.00 0.00 23.12 21.60 1u0g s ALA 244 CO -0.00 0.61 -0.12 -0.51 0.00 0.00 0.00 175.76 175.74 1u0g s LEU 245 N -1.09 2.94 0.20 0.00 1.43 -0.23 -0.51 118.68 121.42 1u0g s LEU 245 Ca 0.15 -1.16 -0.23 0.00 -1.03 0.00 0.00 54.13 51.86 1u0g s LEU 245 Cb -0.11 -1.45 0.05 0.00 0.03 0.00 0.00 46.19 44.71 1u0g s LEU 245 CO 0.05 -0.15 0.88 -0.55 0.23 0.00 0.00 176.35 176.80 1u0g s SER 246 N 1.21 -0.19 0.00 2.29 0.15 -1.05 -1.16 113.70 114.95 1u0g s SER 246 Ca -0.05 -0.51 0.13 0.00 0.70 0.00 0.00 55.95 56.23 1u0g s SER 246 Cb -0.18 0.58 -0.12 0.00 -1.71 0.00 0.00 66.02 64.59 1u0g s SER 246 CO -0.07 -1.08 0.62 0.35 1.20 0.00 0.00 173.24 174.26 1u0g n THR 247 N -0.48 0.00 -3.56 6.45 -2.24 -0.73 -2.16 114.28 111.56 1u0g n THR 247 Ca -0.05 -0.22 -0.40 0.00 -2.27 0.00 0.00 64.05 61.11 1u0g n THR 247 Cb 0.60 1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 69.81 1u0g n THR 247 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1u0g s ASN 248 N -2.15 6.06 0.21 3.42 3.84 -1.24 -4.93 114.94 120.15 1u0g s ASN 248 Ca 0.06 -3.22 -0.10 0.00 0.21 0.00 0.00 52.86 49.82 1u0g s ASN 248 Cb 0.10 -1.99 0.21 0.00 -0.55 0.00 0.00 41.25 39.02 1u0g s ASN 248 CO 0.51 -0.34 1.84 0.74 -2.79 0.00 0.00 177.10 177.07 1u0g h THR 249 N 4.56 1.07 -0.43 -5.21 2.02 -1.95 -1.86 112.91 111.11 1u0g h THR 249 Ca 0.09 -0.29 0.04 0.00 0.77 0.00 0.00 66.41 67.03 1u0g h THR 249 Cb 0.91 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1u0g h THR 249 CO 0.80 0.15 0.20 0.00 0.37 0.00 0.00 175.52 177.04 1u0g h ALA 250 N 1.31 0.53 -0.01 6.16 0.00 -1.99 -0.83 119.26 124.43 1u0g h ALA 250 Ca 0.29 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 1u0g h ALA 250 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1u0g h ALA 250 CO -0.13 -0.17 -0.66 0.87 0.00 0.00 0.00 179.25 179.17 1u0g h LYS 251 N 0.40 0.04 0.07 0.00 1.79 -1.86 -0.14 116.57 116.88 1u0g h LYS 251 Ca 0.19 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1u0g h LYS 251 Cb 0.11 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1u0g h LYS 251 CO -0.14 0.68 -0.04 0.28 -1.08 0.00 0.00 179.45 179.15 1u0g h VAL 252 N 0.03 0.95 -0.66 0.50 2.07 -1.03 -1.37 116.25 116.74 1u0g h VAL 252 Ca -0.01 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1u0g h VAL 252 Cb 1.17 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1u0g h VAL 252 CO 0.09 0.02 0.32 0.50 0.02 0.00 0.00 177.57 178.52 1u0g h LYS 253 N -0.14 0.95 -0.88 1.57 3.64 -1.02 -2.41 116.57 118.29 1u0g h LYS 253 Ca -0.01 -0.14 0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1u0g h LYS 253 Cb 0.11 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 1u0g h LYS 253 CO 0.02 0.75 0.52 1.49 -2.27 0.00 0.00 179.45 179.96 1u0g h GLU 254 N 0.91 0.87 -0.27 1.90 4.81 -0.93 -1.81 114.58 120.06 1u0g h GLU 254 Ca 0.23 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1u0g h GLU 254 Cb 0.11 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1u0g h GLU 254 CO -0.03 0.57 -0.08 0.35 -0.73 0.00 0.00 179.01 179.09 1u0g h PHE 255 N 0.89 0.45 0.00 0.92 3.57 -0.78 -3.47 116.94 118.53 1u0g h PHE 255 Ca 0.41 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.86 1u0g h PHE 255 Cb 0.33 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1u0g h PHE 255 CO -0.04 0.51 0.00 0.41 -2.23 0.00 0.00 178.31 176.96 1u0g n GLY 256 N -0.79 1.59 3.60 2.40 0.00 -0.68 -5.10 105.19 106.21 1u0g n GLY 256 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1u0g n GLY 256 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u0g s ILE 257 N -1.88 4.49 0.28 -0.61 1.01 -0.96 -4.94 121.20 118.58 1u0g s ILE 257 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.21 1u0g s ILE 257 Cb 0.00 -3.00 -0.09 0.00 0.01 0.00 0.00 42.46 39.38 1u0g s ILE 257 CO 0.00 0.48 1.06 -0.62 0.00 0.00 0.00 174.94 175.86 1u0g s ASP 258 N 0.28 7.34 0.56 3.58 2.15 -1.26 -3.15 116.67 126.17 1u0g s ASP 258 Ca 0.01 2.19 0.36 0.00 0.43 0.00 0.00 52.55 55.54 1u0g s ASP 258 Cb -0.13 -2.62 1.50 0.00 -0.30 0.00 0.00 42.92 41.37 1u0g s ASP 258 CO 0.01 -0.09 1.74 -0.65 -0.17 0.00 0.00 175.17 176.01 1u0g h PRO 259 N 3.84 0.00 0.00 4.34 0.11 -1.94 0.32 132.00 138.67 1u0g h PRO 259 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1u0g h PRO 259 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u0g h PRO 259 CO 0.67 0.00 -0.05 -0.56 -0.21 0.00 0.00 178.00 177.84 1u0g h GLN 260 N 0.00 0.00 -0.76 1.05 -0.00 -2.02 -2.00 115.11 111.38 1u0g h GLN 260 Ca 0.55 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.91 1u0g h GLN 260 Cb 2.36 0.00 -0.17 0.00 -0.00 0.00 0.00 27.48 29.67 1u0g h GLN 260 CO -0.01 0.05 0.33 0.09 -0.00 0.00 0.00 178.83 179.30 1u0g n ASN 261 N -3.24 4.32 -4.21 0.06 5.03 0.11 -4.92 115.26 112.41 1u0g n ASN 261 Ca -0.01 -3.37 -0.30 0.00 0.87 0.00 0.00 54.58 51.78 1u0g n ASN 261 Cb 0.26 -0.75 -0.16 0.00 -1.02 0.00 0.00 39.78 38.10 1u0g n ASN 261 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 1u0g s MET 262 N -3.09 2.32 -0.19 3.52 1.75 -0.75 -1.23 119.30 121.62 1u0g s MET 262 Ca 0.54 -0.79 -0.04 0.00 -1.25 0.00 0.00 55.69 54.15 1u0g s MET 262 Cb 0.44 -1.95 -0.02 0.00 2.84 0.00 0.00 34.83 36.15 1u0g s MET 262 CO 0.11 0.30 -0.03 -0.51 -0.65 0.00 0.00 175.02 174.25 1u0g s LEU 263 N -0.01 3.13 0.21 4.11 1.43 0.33 -4.97 118.68 122.90 1u0g s LEU 263 Ca -0.06 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1u0g s LEU 263 Cb -0.14 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 1u0g s LEU 263 CO 0.04 0.07 0.43 -1.83 0.23 0.00 0.00 176.35 175.28 1u0g s GLU 264 N 0.97 3.58 0.00 1.70 1.03 -1.26 -2.53 118.70 122.19 1u0g s GLU 264 Ca 0.01 -0.18 0.00 0.00 0.03 0.00 0.00 54.97 54.83 1u0g s GLU 264 Cb -0.14 -2.79 0.00 0.00 -0.80 0.00 0.00 34.13 30.39 1u0g s GLU 264 CO 0.01 0.37 0.00 1.97 -1.33 0.00 0.00 175.26 176.28 1u0g n PHE 265 N -0.51 0.00 -4.27 4.83 1.16 -0.92 -4.55 117.46 113.21 1u0g n PHE 265 Ca -0.03 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.40 1u0g n PHE 265 Cb 0.53 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.30 1u0g n PHE 265 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1u0g s TRP 266 N -0.95 1.33 0.52 2.97 0.51 -1.26 -4.38 118.94 117.67 1u0g s TRP 266 Ca 0.00 -0.89 0.31 0.00 -2.12 0.00 0.00 56.10 53.40 1u0g s TRP 266 Cb 0.00 -0.73 1.78 0.00 -0.81 0.00 0.00 33.47 33.70 1u0g s TRP 266 CO 0.00 -0.05 2.20 0.38 -0.51 0.00 0.00 176.95 178.97 1u0g h ASP 267 N 2.67 0.00 -0.05 2.95 3.04 -1.97 -1.68 116.42 121.37 1u0g h ASP 267 Ca -0.37 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.42 1u0g h ASP 267 Cb 1.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 1u0g h ASP 267 CO 0.64 0.04 0.00 -2.67 -2.04 0.00 0.00 179.24 175.21 1u0g n TRP 268 N -3.63 0.07 -3.41 4.15 4.27 -1.26 -4.53 117.44 113.10 1u0g n TRP 268 Ca -0.02 -0.03 -0.44 0.00 -3.89 0.00 0.00 57.50 53.11 1u0g n TRP 268 Cb 0.14 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.02 1u0g n TRP 268 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1u0g s VAL 269 N -1.93 5.05 0.39 -1.67 1.01 -0.63 -1.05 120.40 121.57 1u0g s VAL 269 Ca 0.22 -1.20 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 1u0g s VAL 269 Cb 0.11 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 1u0g s VAL 269 CO 0.17 -0.62 1.16 -0.83 0.00 0.00 0.00 175.10 174.99 1u0g s GLY 270 N 2.68 2.87 0.18 4.51 0.00 -1.26 -4.89 107.32 111.41 1u0g s GLY 270 Ca 0.04 0.96 -0.16 0.00 0.00 0.00 0.00 44.72 45.55 1u0g s GLY 270 CO 0.05 1.47 1.65 -1.33 0.00 0.00 0.00 173.10 174.95 1u0g h GLY 271 N 2.70 0.32 0.77 0.20 0.00 -1.95 0.66 103.07 105.76 1u0g h GLY 271 Ca -0.49 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1u0g h GLY 271 CO 0.63 -0.18 0.00 -0.96 0.00 0.00 0.00 176.54 176.02 1u0g n ARG 272 N -5.35 0.66 -0.77 4.80 1.85 -1.26 -1.66 116.66 114.92 1u0g n ARG 272 Ca 0.04 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.94 1u0g n ARG 272 Cb 0.26 -1.38 0.13 0.00 -1.05 0.00 0.00 32.46 30.42 1u0g n ARG 272 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1u0g n TYR 273 N -0.88 0.00 0.83 2.89 4.02 0.17 -4.83 117.16 119.35 1u0g n TYR 273 Ca 0.12 -1.05 0.08 0.00 -0.01 0.00 0.00 57.90 57.04 1u0g n TYR 273 Cb 0.06 -0.20 -0.10 0.00 -0.02 0.00 0.00 39.34 39.08 1u0g n TYR 273 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1u0g n SER 274 N -0.64 0.84 0.32 7.72 3.41 -0.67 -4.45 113.62 120.16 1u0g n SER 274 Ca 0.14 -0.90 0.19 0.00 -0.26 0.00 0.00 58.87 58.03 1u0g n SER 274 Cb 0.81 1.02 1.06 0.00 -0.26 0.00 0.00 64.21 66.84 1u0g n SER 274 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1u0g h LEU 275 N 0.00 0.00 -0.65 1.04 8.10 -1.84 0.04 115.31 122.00 1u0g h LEU 275 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1u0g h LEU 275 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.65 1u0g h LEU 275 CO 0.00 0.00 0.00 -0.50 -4.11 0.00 0.00 178.44 173.83 1u0g h TRP 276 N 0.00 0.00 -2.73 0.17 4.06 -1.95 -2.98 115.95 112.52 1u0g h TRP 276 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1u0g h TRP 276 Cb 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 1u0g h TRP 276 CO 0.00 0.00 0.00 -1.13 -3.56 0.00 0.00 178.44 173.75 1u0g n SER 277 N -2.44 0.00 -0.20 -3.49 3.41 0.00 -4.77 113.62 106.13 1u0g n SER 277 Ca 0.03 -0.01 0.27 0.00 -0.26 0.00 0.00 58.87 58.89 1u0g n SER 277 Cb 0.30 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 64.93 1u0g n SER 277 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u0g h ALA 278 N -1.12 2.70 -0.21 7.33 0.00 -1.80 -0.30 119.26 125.86 1u0g h ALA 278 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1u0g h ALA 278 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1u0g h ALA 278 CO 0.00 -0.97 0.29 0.82 0.00 0.00 0.00 179.25 179.39 1u0g h ILE 279 N 0.09 0.32 -0.00 0.00 1.08 -1.85 -0.80 117.51 116.35 1u0g h ILE 279 Ca 0.44 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.91 1u0g h ILE 279 Cb 1.60 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 1u0g h ILE 279 CO -0.05 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.02 1u0g n GLY 280 N -1.37 -0.99 0.25 5.37 0.00 -0.12 -4.25 105.19 104.08 1u0g n GLY 280 Ca 0.02 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.98 1u0g n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1u0g h LEU 281 N 0.01 0.30 -1.94 0.99 5.85 -1.33 0.16 115.31 119.36 1u0g h LEU 281 Ca 0.00 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1u0g h LEU 281 Cb 0.00 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1u0g h LEU 281 CO 0.00 0.16 0.07 0.77 -0.34 0.00 0.00 178.44 179.10 1u0g h SER 282 N 0.47 0.07 0.38 1.25 4.64 -1.85 0.17 113.55 118.68 1u0g h SER 282 Ca 0.34 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.64 1u0g h SER 282 Cb 0.42 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1u0g h SER 282 CO -0.32 0.05 -0.18 0.40 -0.87 0.00 0.00 176.83 175.92 1u0g h ILE 283 N 0.09 0.62 -0.88 0.95 2.04 -1.29 -2.15 117.51 116.88 1u0g h ILE 283 Ca 0.04 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.58 1u0g h ILE 283 Cb 0.06 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1u0g h ILE 283 CO -0.01 0.07 0.57 0.00 0.00 0.00 0.00 178.15 178.78 1u0g h ALA 284 N -0.18 1.16 -0.89 1.87 0.00 -0.85 -0.05 119.26 120.32 1u0g h ALA 284 Ca -0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1u0g h ALA 284 Cb 0.50 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1u0g h ALA 284 CO 0.09 0.43 0.47 -0.07 0.00 0.00 0.00 179.25 180.17 1u0g h LEU 285 N 1.12 1.13 0.00 0.00 3.38 -0.71 0.21 115.31 120.43 1u0g h LEU 285 Ca 0.35 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 1u0g h LEU 285 Cb -0.01 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.46 1u0g h LEU 285 CO -0.11 0.91 -0.35 -0.74 0.09 0.00 0.00 178.44 178.24 1u0g h HIS 286 N 1.25 0.35 -0.00 1.13 2.76 -0.60 -3.38 115.15 116.67 1u0g h HIS 286 Ca 0.31 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1u0g h HIS 286 Cb 0.05 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1u0g h HIS 286 CO 0.01 1.01 -0.68 1.33 -1.30 0.00 0.00 177.93 178.30 1u0g n VAL 287 N -4.42 0.00 0.00 5.26 0.24 -0.13 -4.39 118.33 114.89 1u0g n VAL 287 Ca -0.10 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 1u0g n VAL 287 Cb 0.56 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.98 1u0g n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u0g n GLY 288 N 1.34 1.31 0.23 7.63 0.00 0.72 -4.50 105.19 111.92 1u0g n GLY 288 Ca 0.04 -1.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.36 1u0g n GLY 288 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1u0g h PHE 289 N 0.00 0.50 -0.43 1.61 3.57 -1.91 -2.30 116.94 117.98 1u0g h PHE 289 Ca 0.00 -0.11 0.09 0.00 3.53 0.00 0.00 57.97 61.47 1u0g h PHE 289 Cb 0.00 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.54 1u0g h PHE 289 CO 0.00 0.69 -0.12 0.38 -2.23 0.00 0.00 178.31 177.03 1u0g h ASP 290 N 0.39 -0.44 -0.03 0.41 -0.00 -1.92 0.30 116.42 115.13 1u0g h ASP 290 Ca 0.05 0.13 -0.12 0.00 -0.00 0.00 0.00 57.03 57.09 1u0g h ASP 290 Cb 0.70 0.28 -0.01 0.00 -0.00 0.00 0.00 39.33 40.30 1u0g h ASP 290 CO 0.05 -0.16 -0.37 0.45 -0.00 0.00 0.00 179.24 179.22 1u0g h HIS 291 N -0.02 0.62 -0.64 4.15 3.86 -1.73 -1.69 115.15 119.70 1u0g h HIS 291 Ca 0.21 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1u0g h HIS 291 Cb 0.33 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 1u0g h HIS 291 CO -0.39 0.83 0.38 0.35 0.86 0.00 0.00 177.93 179.96 1u0g h PHE 292 N 0.44 0.84 -0.60 2.45 3.57 -0.81 -0.96 116.94 121.87 1u0g h PHE 292 Ca 0.04 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1u0g h PHE 292 Cb 0.85 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 1u0g h PHE 292 CO 0.03 0.58 0.37 0.93 -2.23 0.00 0.00 178.31 177.99 1u0g h GLU 293 N 0.86 0.81 -0.42 1.11 5.08 -0.03 -1.63 114.58 120.35 1u0g h GLU 293 Ca 0.23 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 1u0g h GLU 293 Cb -0.01 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1u0g h GLU 293 CO -0.04 0.56 -0.24 1.96 -1.00 0.00 0.00 179.01 180.25 1u0g h GLN 294 N 0.82 0.87 0.04 2.33 4.20 -0.84 -0.58 115.11 121.95 1u0g h GLN 294 Ca 0.22 -0.37 0.01 0.00 0.06 0.00 0.00 58.65 58.57 1u0g h GLN 294 Cb -0.04 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1u0g h GLN 294 CO -0.04 1.02 -0.12 1.25 -0.67 0.00 0.00 178.83 180.26 1u0g h LEU 295 N 0.75 -0.34 -0.77 1.46 5.85 -0.70 -1.11 115.31 120.45 1u0g h LEU 295 Ca 0.10 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1u0g h LEU 295 Cb 0.79 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.89 1u0g h LEU 295 CO 0.07 -0.18 0.42 -0.07 -0.34 0.00 0.00 178.44 178.34 1u0g h LEU 296 N -0.23 0.59 -1.00 2.25 3.38 -1.19 -2.64 115.31 116.48 1u0g h LEU 296 Ca 0.03 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1u0g h LEU 296 Cb 0.26 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1u0g h LEU 296 CO -0.09 0.35 0.01 0.28 0.09 0.00 0.00 178.44 179.07 1u0g h SER 297 N 0.72 0.70 -0.44 -0.43 0.02 -0.64 -0.59 113.55 112.89 1u0g h SER 297 Ca 0.37 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 61.06 1u0g h SER 297 Cb 0.34 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1u0g h SER 297 CO -0.24 0.76 -0.13 1.23 -1.14 0.00 0.00 176.83 177.30 1u0g h GLY 298 N 0.95 0.93 1.00 -3.77 0.00 -0.94 -1.14 103.07 100.10 1u0g h GLY 298 Ca 0.14 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1u0g h GLY 298 CO 0.02 0.72 0.36 0.00 0.00 0.00 0.00 176.54 177.63 1u0g h ALA 299 N 0.86 0.80 -0.56 3.60 0.00 -1.21 -2.26 119.26 120.48 1u0g h ALA 299 Ca 0.11 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1u0g h ALA 299 Cb 0.68 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1u0g h ALA 299 CO 0.05 0.30 0.33 1.25 0.00 0.00 0.00 179.25 181.18 1u0g h HIS 300 N 0.85 0.61 -0.48 0.00 6.17 -0.87 0.18 115.15 121.62 1u0g h HIS 300 Ca 0.22 0.02 0.06 0.00 0.71 0.00 0.00 60.37 61.39 1u0g h HIS 300 Cb 0.01 -0.19 -0.05 0.00 2.52 0.00 0.00 27.41 29.69 1u0g h HIS 300 CO -0.01 0.34 0.17 2.35 0.71 0.00 0.00 177.93 181.48 1u0g h TRP 301 N 0.65 0.30 -0.18 5.26 7.01 -0.92 -1.35 115.95 126.72 1u0g h TRP 301 Ca 0.23 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 61.13 1u0g h TRP 301 Cb 0.05 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 1u0g h TRP 301 CO -0.07 0.10 -0.42 1.98 -2.79 0.00 0.00 178.44 177.24 1u0g h MET 302 N 0.34 0.41 -0.42 2.65 4.05 -0.83 -1.43 114.93 119.71 1u0g h MET 302 Ca 0.23 -0.21 0.03 0.00 -0.28 0.00 0.00 59.70 59.47 1u0g h MET 302 Cb 0.23 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.00 1u0g h MET 302 CO -0.23 0.77 0.21 -0.44 0.23 0.00 0.00 176.91 177.44 1u0g h ASP 303 N 0.34 0.30 -0.56 1.39 3.32 -0.16 -0.15 116.42 120.90 1u0g h ASP 303 Ca 0.03 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1u0g h ASP 303 Cb 0.89 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1u0g h ASP 303 CO 0.07 0.22 0.10 1.56 -1.72 0.00 0.00 179.24 179.47 1u0g h GLN 304 N 0.42 0.92 -0.46 3.56 1.08 -0.97 0.85 115.11 120.50 1u0g h GLN 304 Ca 0.18 -0.24 0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1u0g h GLN 304 Cb 0.09 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.37 1u0g h GLN 304 CO -0.13 0.88 0.24 1.25 -0.95 0.00 0.00 178.83 180.12 1u0g h HIS 305 N 0.81 0.45 -0.74 2.96 -0.00 -1.04 -0.45 115.15 117.15 1u0g h HIS 305 Ca 0.17 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.51 1u0g h HIS 305 Cb 0.40 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.64 1u0g h HIS 305 CO 0.03 0.24 0.29 0.35 -0.00 0.00 0.00 177.93 178.83 1u0g h PHE 306 N 0.48 1.14 -0.20 5.26 3.57 -0.65 -2.15 116.94 124.39 1u0g h PHE 306 Ca 0.20 -0.09 -0.16 0.00 3.53 0.00 0.00 57.97 61.45 1u0g h PHE 306 Cb 0.08 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 1u0g h PHE 306 CO -0.09 0.87 -0.52 1.25 -2.23 0.00 0.00 178.31 177.59 1u0g h LEU 307 N 1.07 0.63 -0.01 0.59 5.85 -0.40 -3.37 115.31 119.67 1u0g h LEU 307 Ca 0.25 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1u0g h LEU 307 Cb 0.23 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1u0g h LEU 307 CO -0.02 1.03 -0.55 0.29 -0.34 0.00 0.00 178.44 178.86 1u0g n LYS 308 N -3.97 3.14 -3.40 1.25 4.76 -0.22 -4.98 118.16 114.75 1u0g n LYS 308 Ca -0.03 -0.01 -0.38 0.00 -2.87 0.00 0.00 58.31 55.03 1u0g n LYS 308 Cb 0.59 -1.05 -0.06 0.00 -1.84 0.00 0.00 35.03 32.67 1u0g n LYS 308 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1u0g s THR 309 N -2.10 5.15 0.41 -0.18 2.01 -0.82 -5.04 115.64 115.08 1u0g s THR 309 Ca 0.04 0.86 -0.25 0.00 0.31 0.00 0.00 61.69 62.66 1u0g s THR 309 Cb 0.09 -3.76 -0.11 0.00 0.01 0.00 0.00 72.50 68.73 1u0g s THR 309 CO 0.48 0.41 1.12 -2.65 -0.69 0.00 0.00 174.62 173.29 1u0g n PRO 310 N 3.11 1.60 -0.35 4.92 -0.02 -1.26 -4.74 135.00 138.26 1u0g n PRO 310 Ca -0.10 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.08 1u0g n PRO 310 Cb 0.52 -2.17 0.32 0.00 -0.02 0.00 0.00 33.50 32.16 1u0g n PRO 310 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1u0g h LEU 311 N 1.82 0.78 -1.07 2.45 3.38 -1.96 -1.83 115.31 118.88 1u0g h LEU 311 Ca -0.45 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1u0g h LEU 311 Cb 1.32 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1u0g h LEU 311 CO 0.59 0.29 0.00 1.05 0.09 0.00 0.00 178.44 180.45 1u0g h GLU 312 N 0.77 0.00 0.00 1.13 9.09 -1.96 -2.54 114.58 121.07 1u0g h GLU 312 Ca 0.57 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.93 1u0g h GLU 312 Cb 0.88 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 27.88 1u0g h GLU 312 CO -0.36 0.00 -0.54 1.63 0.05 0.00 0.00 179.01 179.79 1u0g n LYS 313 N -2.31 0.75 -3.54 1.06 5.02 -0.70 -5.01 118.16 113.42 1u0g n LYS 313 Ca 0.01 -2.31 -0.41 0.00 -2.02 0.00 0.00 58.31 53.58 1u0g n LYS 313 Cb 0.16 -0.92 -0.11 0.00 -0.02 0.00 0.00 35.03 34.15 1u0g n LYS 313 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1u0g s ASN 314 N -2.35 5.90 0.11 4.39 3.84 -0.96 -4.89 114.94 120.98 1u0g s ASN 314 Ca 0.28 -0.85 -0.32 0.00 0.21 0.00 0.00 52.86 52.17 1u0g s ASN 314 Cb 0.28 -2.09 -0.12 0.00 -0.55 0.00 0.00 41.25 38.77 1u0g s ASN 314 CO -0.06 -0.38 1.58 0.00 -2.79 0.00 0.00 177.10 175.45 1u0g h ALA 315 N 8.51 -0.84 -0.16 1.71 0.00 -1.91 -0.10 119.26 126.47 1u0g h ALA 315 Ca -0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1u0g h ALA 315 Cb 1.12 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1u0g h ALA 315 CO 0.68 -1.04 0.04 -1.00 0.00 0.00 0.00 179.25 177.94 1u0g h PRO 316 N -0.73 0.22 -0.17 0.00 0.13 -1.94 -1.83 132.00 127.67 1u0g h PRO 316 Ca -0.00 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1u0g h PRO 316 Cb 0.72 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1u0g h PRO 316 CO -0.20 0.21 0.02 0.28 -0.23 0.00 0.00 178.00 178.08 1u0g h VAL 317 N 0.22 1.23 -0.54 1.56 2.07 -1.62 -1.50 116.25 117.69 1u0g h VAL 317 Ca 0.06 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1u0g h VAL 317 Cb 0.09 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1u0g h VAL 317 CO -0.00 0.23 0.24 -0.07 0.02 0.00 0.00 177.57 177.99 1u0g h LEU 318 N 0.07 0.72 -0.94 2.57 3.38 -0.77 0.10 115.31 120.44 1u0g h LEU 318 Ca 0.05 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1u0g h LEU 318 Cb 0.34 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1u0g h LEU 318 CO 0.01 0.67 0.62 -0.07 0.09 0.00 0.00 178.44 179.76 1u0g h LEU 319 N 0.72 1.07 -0.28 1.67 3.38 -1.31 -0.91 115.31 119.65 1u0g h LEU 319 Ca 0.18 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1u0g h LEU 319 Cb 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1u0g h LEU 319 CO -0.02 0.77 0.12 0.00 0.09 0.00 0.00 178.44 179.40 1u0g h ALA 320 N 1.35 0.37 -0.72 1.53 0.00 -0.64 -2.20 119.26 118.95 1u0g h ALA 320 Ca 0.35 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1u0g h ALA 320 Cb -0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1u0g h ALA 320 CO -0.08 -0.04 0.26 -0.07 0.00 0.00 0.00 179.25 179.32 1u0g h LEU 321 N 0.31 1.02 -0.50 0.00 3.38 -0.48 -0.54 115.31 118.50 1u0g h LEU 321 Ca 0.10 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1u0g h LEU 321 Cb 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1u0g h LEU 321 CO -0.01 0.93 0.29 -0.07 0.09 0.00 0.00 178.44 179.67 1u0g h LEU 322 N 1.04 0.62 -0.50 1.67 3.38 -1.13 -1.32 115.31 119.08 1u0g h LEU 322 Ca 0.24 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1u0g h LEU 322 Cb 0.25 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 1u0g h LEU 322 CO -0.01 0.52 0.05 1.23 0.09 0.00 0.00 178.44 180.31 1u0g h GLY 323 N 0.67 0.56 0.96 0.83 0.00 -0.93 -1.87 103.07 103.29 1u0g h GLY 323 Ca 0.18 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.55 1u0g h GLY 323 CO -0.03 -0.11 0.48 -2.22 0.00 0.00 0.00 176.54 174.65 1u0g h ILE 324 N 0.17 1.16 -0.11 2.60 1.08 -0.54 0.68 117.51 122.54 1u0g h ILE 324 Ca 0.26 -0.33 0.04 0.00 -0.39 0.00 0.00 64.86 64.44 1u0g h ILE 324 Cb 0.37 0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 34.19 1u0g h ILE 324 CO -0.38 0.17 -0.15 -0.25 -0.69 0.00 0.00 178.15 176.86 1u0g h TRP 325 N 0.96 -0.37 -0.18 1.37 -0.00 -0.84 0.17 115.95 117.05 1u0g h TRP 325 Ca 0.28 0.02 -0.18 0.00 -0.00 0.00 0.00 58.89 59.01 1u0g h TRP 325 Cb -0.07 0.18 -0.00 0.00 -0.00 0.00 0.00 29.16 29.28 1u0g h TRP 325 CO -0.03 -0.21 -0.62 1.88 -0.00 0.00 0.00 178.44 179.46 1u0g h TYR 326 N -0.19 0.83 0.15 2.65 0.05 -0.90 -1.96 116.97 117.59 1u0g h TYR 326 Ca 0.09 -0.32 -0.01 0.00 0.05 0.00 0.00 58.73 58.54 1u0g h TYR 326 Cb 0.31 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.91 1u0g h TYR 326 CO -0.25 1.10 -0.07 0.82 -1.05 0.00 0.00 178.16 178.70 1u0g h ILE 327 N 0.48 0.78 0.00 -2.88 2.04 -0.73 0.12 117.51 117.31 1u0g h ILE 327 Ca -0.01 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.67 1u0g h ILE 327 Cb 1.20 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1u0g h ILE 327 CO 0.12 0.22 -0.89 0.78 0.00 0.00 0.00 178.15 178.38 1u0g h ASN 328 N -0.91 0.00 0.00 1.72 4.21 -0.79 -2.76 115.58 117.06 1u0g h ASN 328 Ca -0.02 -0.07 -0.30 0.00 1.21 0.00 0.00 56.30 57.12 1u0g h ASN 328 Cb 0.51 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.66 1u0g h ASN 328 CO 0.03 0.04 -1.97 0.00 -1.29 0.00 0.00 177.43 174.24 1u0g h TYR 330 N -0.71 0.00 0.00 0.00 0.05 -1.27 -3.49 116.97 111.56 1u0g h TYR 330 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1u0g h TYR 330 Cb 1.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.11 1u0g h TYR 330 CO -0.09 0.60 0.00 0.41 -1.05 0.00 0.00 178.16 178.04 1u0g n GLY 331 N 1.27 0.44 3.67 3.88 0.00 0.29 -4.98 105.19 109.76 1u0g n GLY 331 Ca 0.00 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 1u0g n GLY 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u0g h GLU 333 N 8.58 0.00 -5.98 0.00 5.08 -1.90 -3.40 114.58 116.96 1u0g h GLU 333 Ca -0.38 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.37 1u0g h GLU 333 Cb 1.17 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 1u0g h GLU 333 CO 0.93 0.60 -0.70 0.95 -1.00 0.00 0.00 179.01 179.79 1u0g s THR 334 N -3.63 2.27 -0.04 1.13 -4.23 -1.26 -0.97 115.64 108.91 1u0g s THR 334 Ca -0.01 -2.25 -0.02 0.00 -1.18 0.00 0.00 61.69 58.23 1u0g s THR 334 Cb 0.13 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.44 1u0g s THR 334 CO 0.76 -0.25 0.07 -2.28 -0.54 0.00 0.00 174.62 172.37 1u0g s HIS 335 N -2.60 0.01 -0.15 3.99 2.46 -0.44 -4.18 115.29 114.38 1u0g s HIS 335 Ca 0.32 0.27 -0.08 0.00 0.47 0.00 0.00 55.06 56.03 1u0g s HIS 335 Cb 0.01 -0.35 -0.04 0.00 -0.13 0.00 0.00 32.58 32.06 1u0g s HIS 335 CO 0.16 -0.16 0.15 0.00 -2.47 0.00 0.00 174.74 172.41 1u0g s ALA 336 N 1.76 3.80 -0.25 1.58 0.00 -0.49 -2.25 121.76 125.90 1u0g s ALA 336 Ca -0.01 -0.64 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 1u0g s ALA 336 Cb -0.12 -2.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 1u0g s ALA 336 CO -0.03 0.44 0.03 -0.51 0.00 0.00 0.00 175.76 175.68 1u0g s LEU 337 N -0.50 3.37 -0.55 0.00 1.02 0.27 -1.02 118.68 121.27 1u0g s LEU 337 Ca 0.13 -0.48 0.04 0.00 0.02 0.00 0.00 54.13 53.84 1u0g s LEU 337 Cb -0.12 -1.83 0.16 0.00 0.02 0.00 0.00 46.19 44.42 1u0g s LEU 337 CO 0.02 -0.09 0.38 -0.76 0.02 0.00 0.00 176.35 175.92 1u0g s LEU 338 N 1.51 3.40 -0.05 1.79 1.43 0.19 -3.88 118.68 123.08 1u0g s LEU 338 Ca 0.05 -3.30 -0.29 0.00 -1.03 0.00 0.00 54.13 49.55 1u0g s LEU 338 Cb -0.16 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 1u0g s LEU 338 CO 0.00 -0.16 0.97 -2.16 0.23 0.00 0.00 176.35 175.23 1u0g s PRO 339 N -0.55 4.49 -1.33 1.29 0.04 -1.26 -2.25 135.00 135.42 1u0g s PRO 339 Ca 0.25 1.37 -0.08 0.00 0.04 0.00 0.00 61.00 62.57 1u0g s PRO 339 Cb -0.09 -3.49 0.13 0.00 0.04 0.00 0.00 34.50 31.09 1u0g s PRO 339 CO -0.12 -0.15 2.14 0.66 0.04 0.00 0.00 177.00 179.57 1u0g n TYR 340 N 4.35 2.81 -3.36 0.56 4.02 0.15 -1.06 117.16 124.64 1u0g n TYR 340 Ca 0.07 -2.83 0.02 0.00 -0.01 0.00 0.00 57.90 55.15 1u0g n TYR 340 Cb 0.50 -1.98 -0.03 0.00 -0.02 0.00 0.00 39.34 37.81 1u0g n TYR 340 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1u0g s ASP 341 N 0.91 -0.96 0.29 7.72 2.15 -1.24 -4.69 116.67 120.85 1u0g s ASP 341 Ca 0.47 0.96 -0.00 0.00 0.43 0.00 0.00 52.55 54.41 1u0g s ASP 341 Cb 0.13 1.95 0.43 0.00 -0.30 0.00 0.00 42.92 45.13 1u0g s ASP 341 CO -0.04 -0.18 1.84 -0.61 -0.17 0.00 0.00 175.17 176.01 1u0g h GLN 342 N 7.87 0.80 -0.04 4.34 5.75 -1.86 -1.90 115.11 130.07 1u0g h GLN 342 Ca -0.18 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.15 1u0g h GLN 342 Cb 1.13 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.56 1u0g h GLN 342 CO 0.11 0.72 -0.04 1.88 -2.65 0.00 0.00 178.83 178.85 1u0g h TYR 343 N 0.77 0.06 -0.18 3.99 0.99 -1.90 -1.99 116.97 118.71 1u0g h TYR 343 Ca 0.17 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.85 1u0g h TYR 343 Cb 0.28 -0.02 -0.03 0.00 1.00 0.00 0.00 36.73 37.97 1u0g h TYR 343 CO 0.02 0.10 0.06 -1.33 -0.00 0.00 0.00 178.16 177.01 1u0g n MET 344 N -4.45 1.70 0.28 4.88 2.81 -0.71 -2.39 117.12 119.22 1u0g n MET 344 Ca -0.02 -0.74 0.19 0.00 -1.81 0.00 0.00 57.70 55.31 1u0g n MET 344 Cb 0.15 -1.53 0.95 0.00 -0.71 0.00 0.00 33.22 32.07 1u0g n MET 344 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1u0g h HIS 345 N 0.69 0.00 -0.38 2.03 2.07 -1.41 -1.83 115.15 116.32 1u0g h HIS 345 Ca 0.06 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.58 1u0g h HIS 345 Cb 1.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.06 1u0g h HIS 345 CO 0.31 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.71 1u0g n ARG 346 N -2.85 2.67 0.00 5.12 5.12 -1.26 -4.65 116.66 120.80 1u0g n ARG 346 Ca -0.02 -2.07 -0.12 0.00 -1.93 0.00 0.00 57.85 53.71 1u0g n ARG 346 Cb 0.12 -1.31 -0.07 0.00 -1.16 0.00 0.00 32.46 30.04 1u0g n ARG 346 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1u0g h PHE 347 N 2.41 0.07 -0.64 -1.55 3.57 -1.67 -1.07 116.94 118.06 1u0g h PHE 347 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1u0g h PHE 347 Cb 0.75 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 1u0g h PHE 347 CO 0.25 0.21 0.42 0.00 -2.23 0.00 0.00 178.31 176.95 1u0g h ALA 348 N 0.86 0.82 -0.85 2.41 0.00 -1.83 -2.16 119.26 118.50 1u0g h ALA 348 Ca 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1u0g h ALA 348 Cb 0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1u0g h ALA 348 CO -0.00 0.26 0.42 0.00 0.00 0.00 0.00 179.25 179.93 1u0g h ALA 349 N 1.23 1.15 -0.12 0.00 0.00 -1.82 0.16 119.26 119.85 1u0g h ALA 349 Ca 0.23 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1u0g h ALA 349 Cb -0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1u0g h ALA 349 CO -0.05 0.66 0.02 -0.92 0.00 0.00 0.00 179.25 178.96 1u0g h TYR 350 N 1.20 0.03 0.00 0.00 3.20 -0.77 -2.63 116.97 118.00 1u0g h TYR 350 Ca 0.29 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1u0g h TYR 350 Cb 0.09 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1u0g h TYR 350 CO 0.01 0.01 0.00 0.74 -1.64 0.00 0.00 178.16 177.28 1u0g h PHE 351 N 0.07 0.00 -0.56 -3.82 -1.00 -1.18 -0.66 116.94 109.78 1u0g h PHE 351 Ca 0.05 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.89 1u0g h PHE 351 Cb 0.05 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.55 1u0g h PHE 351 CO -0.12 0.00 0.27 0.37 -1.61 0.00 0.00 178.31 177.22 1u0g h GLN 352 N 0.00 0.50 0.20 1.51 4.15 -0.44 0.63 115.11 121.66 1u0g h GLN 352 Ca 0.00 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1u0g h GLN 352 Cb 0.83 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.41 1u0g h GLN 352 CO 0.00 0.33 -0.09 0.37 -1.93 0.00 0.00 178.83 177.50 1u0g h GLN 353 N 0.51 -0.25 -0.93 1.69 4.15 -1.08 -2.55 115.11 116.64 1u0g h GLN 353 Ca 0.26 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.74 1u0g h GLN 353 Cb 0.21 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.90 1u0g h GLN 353 CO -0.20 0.11 0.60 0.78 -1.93 0.00 0.00 178.83 178.19 1u0g h GLY 354 N -0.67 1.36 0.17 2.39 0.00 -0.97 0.53 103.07 105.89 1u0g h GLY 354 Ca -0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1u0g h GLY 354 CO 0.04 0.38 -0.06 -1.80 0.00 0.00 0.00 176.54 175.10 1u0g h ASP 355 N 1.16 -0.15 -0.51 0.19 1.82 -1.01 -3.23 116.42 114.68 1u0g h ASP 355 Ca 0.38 -0.17 -0.11 0.00 -0.39 0.00 0.00 57.03 56.74 1u0g h ASP 355 Cb 0.03 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.06 1u0g h ASP 355 CO -0.13 0.40 -0.08 0.24 -1.61 0.00 0.00 179.24 178.06 1u0g h MET 356 N -1.01 0.99 0.00 0.28 2.86 -1.30 0.13 114.93 116.88 1u0g h MET 356 Ca -0.02 -0.34 -0.09 0.00 -2.06 0.00 0.00 59.70 57.19 1u0g h MET 356 Cb 0.31 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1u0g h MET 356 CO 0.03 1.02 -0.41 1.49 1.06 0.00 0.00 176.91 180.09 1u0g h GLU 357 N 0.89 0.00 0.13 1.72 4.81 -1.08 -0.59 114.58 120.46 1u0g h GLU 357 Ca 0.14 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1u0g h GLU 357 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1u0g h GLU 357 CO 0.04 0.41 -0.06 0.77 -0.73 0.00 0.00 179.01 179.44 1u0g h SER 358 N 0.00 -0.15 -0.30 1.04 0.02 -1.46 -3.41 113.55 109.29 1u0g h SER 358 Ca -0.00 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1u0g h SER 358 Cb 0.80 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1u0g h SER 358 CO 0.05 0.45 0.00 0.59 -1.14 0.00 0.00 176.83 176.79 1u0g n ASN 359 N -4.87 2.81 -4.20 3.07 3.02 0.40 -4.21 115.26 111.28 1u0g n ASN 359 Ca -0.06 -1.88 -0.42 0.00 -0.03 0.00 0.00 54.58 52.19 1u0g n ASN 359 Cb 0.24 -0.20 -0.01 0.00 -0.61 0.00 0.00 39.78 39.21 1u0g n ASN 359 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u0g n GLY 360 N 0.68 3.23 3.08 7.41 0.00 -0.23 -1.32 105.19 118.03 1u0g n GLY 360 Ca 0.12 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 1u0g n GLY 360 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0g s LYS 361 N 3.98 0.58 0.00 1.61 -0.14 -1.26 -4.97 119.74 119.54 1u0g s LYS 361 Ca 0.52 -1.06 0.00 0.00 -1.36 0.00 0.00 55.97 54.08 1u0g s LYS 361 Cb 0.08 0.06 0.00 0.00 -1.68 0.00 0.00 37.83 36.29 1u0g s LYS 361 CO 0.02 -0.06 0.35 2.48 -0.76 0.00 0.00 175.35 177.38 1u0g n TYR 362 N 0.56 0.00 -5.15 3.18 0.18 -1.26 -4.71 117.16 109.96 1u0g n TYR 362 Ca -0.17 -0.06 -0.32 0.00 1.88 0.00 0.00 57.90 59.24 1u0g n TYR 362 Cb 0.59 -0.01 -0.16 0.00 -0.38 0.00 0.00 39.34 39.39 1u0g n TYR 362 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1u0g s ILE 363 N -0.11 2.33 0.72 -3.48 -1.09 -1.26 -1.07 121.20 117.24 1u0g s ILE 363 Ca 0.00 -0.96 -0.03 0.00 -2.23 0.00 0.00 60.65 57.43 1u0g s ILE 363 Cb 0.00 -1.88 0.11 0.00 -1.58 0.00 0.00 42.46 39.12 1u0g s ILE 363 CO 0.00 0.57 1.00 0.42 -1.23 0.00 0.00 174.94 175.70 1u0g s THR 364 N -0.17 2.22 0.53 2.92 -4.23 0.04 -4.49 115.64 112.45 1u0g s THR 364 Ca -0.03 -0.49 0.25 0.00 -1.18 0.00 0.00 61.69 60.24 1u0g s THR 364 Cb -0.14 -2.72 0.39 0.00 1.34 0.00 0.00 72.50 71.37 1u0g s THR 364 CO 0.04 0.00 2.00 0.50 -0.54 0.00 0.00 174.62 176.62 1u0g h LYS 365 N -0.58 0.00 0.00 3.99 3.64 -1.42 -0.49 116.57 121.71 1u0g h LYS 365 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1u0g h LYS 365 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1u0g h LYS 365 CO 0.44 0.00 -0.20 -1.13 -2.27 0.00 0.00 179.45 176.29 1u0g n SER 366 N -4.36 0.31 0.00 4.20 3.41 -1.26 -4.91 113.62 111.01 1u0g n SER 366 Ca 0.09 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1u0g n SER 366 Cb 0.59 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1u0g n SER 366 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u0g n GLY 367 N 1.46 0.78 3.79 5.00 0.00 -0.19 -5.07 105.19 110.96 1u0g n GLY 367 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1u0g n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u0g s ALA 368 N -2.21 3.08 0.01 4.61 0.00 -1.26 -4.73 121.76 121.27 1u0g s ALA 368 Ca 0.00 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 1u0g s ALA 368 Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1u0g s ALA 368 CO 0.00 -0.01 1.00 0.50 0.00 0.00 0.00 175.76 177.25 1u0g s ARG 369 N -2.67 4.55 0.50 0.00 3.52 -1.26 -0.78 118.95 122.81 1u0g s ARG 369 Ca 0.58 1.45 -0.23 0.00 -0.13 0.00 0.00 55.73 57.40 1u0g s ARG 369 Cb -0.16 -3.45 -0.06 0.00 -1.56 0.00 0.00 34.95 29.72 1u0g s ARG 369 CO 0.21 -0.06 1.37 0.14 -0.81 0.00 0.00 175.30 176.15 1u0g s VAL 370 N 0.97 2.18 -0.28 7.11 -7.23 -0.23 -4.54 120.40 118.37 1u0g s VAL 370 Ca 0.52 0.15 0.08 0.00 -1.81 0.00 0.00 61.98 60.92 1u0g s VAL 370 Cb -0.22 -3.08 0.46 0.00 0.56 0.00 0.00 36.38 34.10 1u0g s VAL 370 CO 0.28 0.01 1.32 -0.90 -0.31 0.00 0.00 175.10 175.50 1u0g n ASP 371 N -0.61 3.22 -3.79 4.85 5.75 -1.26 -5.01 116.55 119.70 1u0g n ASP 371 Ca 0.08 -3.83 -0.09 0.00 -0.01 0.00 0.00 54.79 50.94 1u0g n ASP 371 Cb 0.44 -0.52 -0.04 0.00 -1.03 0.00 0.00 41.12 39.96 1u0g n ASP 371 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1u0g s HIS 372 N -3.39 -0.02 0.43 2.11 -3.43 -1.26 -5.04 115.29 104.70 1u0g s HIS 372 Ca 0.45 -0.33 -0.25 0.00 -0.80 0.00 0.00 55.06 54.13 1u0g s HIS 372 Cb 0.40 0.33 -0.08 0.00 -1.43 0.00 0.00 32.58 31.80 1u0g s HIS 372 CO -0.02 -0.91 1.23 -0.65 -2.00 0.00 0.00 174.74 172.39 1u0g s GLN 373 N -3.90 3.86 0.00 -0.38 -1.52 -1.26 -5.06 119.66 111.40 1u0g s GLN 373 Ca 0.11 1.96 0.00 0.00 -1.95 0.00 0.00 55.36 55.49 1u0g s GLN 373 Cb -0.01 -2.59 0.00 0.00 -0.22 0.00 0.00 33.01 30.19 1u0g s GLN 373 CO -0.01 -0.52 0.00 0.25 -0.25 0.00 0.00 175.29 174.76 1u0g n THR 374 N -0.16 0.00 -1.63 -0.19 -2.24 -1.26 -4.89 114.28 103.91 1u0g n THR 374 Ca 0.05 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.43 1u0g n THR 374 Cb 0.46 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.70 1u0g n THR 374 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u0g n GLY 375 N 5.00 -0.04 3.91 3.38 0.00 -0.44 -4.99 105.19 112.01 1u0g n GLY 375 Ca 0.00 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1u0g n GLY 375 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u0g s PRO 376 N -2.16 3.00 -0.24 1.61 0.04 -1.26 -4.82 135.00 131.18 1u0g s PRO 376 Ca 0.64 0.08 -0.29 0.00 0.04 0.00 0.00 61.00 61.47 1u0g s PRO 376 Cb -0.53 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1u0g s PRO 376 CO 0.56 -0.67 1.13 0.42 0.04 0.00 0.00 177.00 178.47 1u0g s ILE 377 N -3.00 4.50 -0.13 0.56 1.01 -0.14 -4.65 121.20 119.34 1u0g s ILE 377 Ca 0.54 1.79 -0.06 0.00 0.00 0.00 0.00 60.65 62.91 1u0g s ILE 377 Cb -0.11 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 1u0g s ILE 377 CO 0.46 -0.25 0.10 -0.69 0.00 0.00 0.00 174.94 174.55 1u0g s VAL 378 N 3.47 5.13 0.28 2.92 1.01 -1.26 -1.33 120.40 130.62 1u0g s VAL 378 Ca 0.48 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.36 1u0g s VAL 378 Cb -0.16 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1u0g s VAL 378 CO 0.11 0.58 0.65 -1.66 0.00 0.00 0.00 175.10 174.78 1u0g s TRP 379 N -0.66 0.04 0.00 5.22 1.48 -0.96 -4.64 118.94 119.43 1u0g s TRP 379 Ca 0.12 -0.49 0.00 0.00 -1.06 0.00 0.00 56.10 54.67 1u0g s TRP 379 Cb -0.12 0.55 0.00 0.00 -1.16 0.00 0.00 33.47 32.74 1u0g s TRP 379 CO 0.02 -1.20 0.00 0.41 -4.06 0.00 0.00 176.95 172.12 1u0g n GLY 380 N -0.45 2.14 3.11 3.67 0.00 -1.26 -0.57 105.19 111.83 1u0g n GLY 380 Ca -0.04 -1.25 -0.08 0.00 0.00 0.00 0.00 46.02 44.66 1u0g n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u0g s GLU 381 N -1.99 0.64 0.53 1.61 0.41 -1.25 -4.74 118.70 113.91 1u0g s GLU 381 Ca 0.00 -1.11 -0.21 0.00 -0.41 0.00 0.00 54.97 53.24 1u0g s GLU 381 Cb 0.00 0.23 -0.05 0.00 -1.78 0.00 0.00 34.13 32.53 1u0g s GLU 381 CO 0.00 -0.14 1.27 -1.25 -0.49 0.00 0.00 175.26 174.65 1u0g s PRO 382 N -3.72 3.26 0.39 0.39 0.04 -1.26 -4.32 135.00 129.79 1u0g s PRO 382 Ca 0.05 2.01 -0.20 0.00 0.04 0.00 0.00 61.00 62.90 1u0g s PRO 382 Cb 0.06 -2.22 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 1u0g s PRO 382 CO -0.09 -1.02 0.90 0.20 0.04 0.00 0.00 177.00 177.02 1u0g s GLY 383 N -1.21 2.44 0.00 0.56 0.00 -0.23 -2.43 107.32 106.45 1u0g s GLY 383 Ca 0.71 0.34 0.27 0.00 0.00 0.00 0.00 44.72 46.04 1u0g s GLY 383 CO 0.41 0.63 1.62 -1.30 0.00 0.00 0.00 173.10 174.45 1u0g n THR 384 N -0.40 0.00 -0.27 0.90 -2.24 -1.26 -3.71 114.28 107.30 1u0g n THR 384 Ca 0.05 -0.12 0.09 0.00 -2.27 0.00 0.00 64.05 61.80 1u0g n THR 384 Cb 0.53 0.33 0.23 0.00 -2.10 0.00 0.00 70.33 69.32 1u0g n THR 384 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1u0g h ASN 385 N 1.14 0.10 -0.81 3.42 4.21 -1.89 -0.22 115.58 121.54 1u0g h ASN 385 Ca 0.00 0.16 0.17 0.00 1.21 0.00 0.00 56.30 57.83 1u0g h ASN 385 Cb 0.48 0.19 -0.06 0.00 -1.12 0.00 0.00 38.32 37.82 1u0g h ASN 385 CO 0.00 -0.04 0.54 1.23 -1.29 0.00 0.00 177.43 177.87 1u0g h GLY 386 N 0.30 0.75 1.09 2.83 0.00 -1.75 0.13 103.07 106.42 1u0g h GLY 386 Ca 0.48 -0.18 0.13 0.00 0.00 0.00 0.00 47.33 47.75 1u0g h GLY 386 CO -0.54 0.04 0.33 1.46 0.00 0.00 0.00 176.54 177.83 1u0g h GLN 387 N 0.41 0.00 -0.45 4.80 4.20 -1.34 -0.42 115.11 122.31 1u0g h GLN 387 Ca 0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.12 1u0g h GLN 387 Cb 0.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1u0g h GLN 387 CO -0.14 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.74 1u0g n HIS 388 N -4.33 0.58 0.03 2.96 8.25 0.02 -4.38 115.22 118.35 1u0g n HIS 388 Ca 0.08 -0.31 -0.01 0.00 -0.26 0.00 0.00 57.72 57.22 1u0g n HIS 388 Cb 0.53 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.64 1u0g n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u0g n ALA 389 N 1.44 2.83 -0.31 -1.41 0.00 -0.30 -4.98 120.51 117.78 1u0g n ALA 389 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1u0g n ALA 389 Cb 0.59 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1u0g n ALA 389 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1u0g n PHE 390 N -3.45 0.00 0.28 0.00 1.16 -0.41 -4.73 117.46 110.32 1u0g n PHE 390 Ca -0.01 0.00 0.16 0.00 -1.87 0.00 0.00 57.45 55.73 1u0g n PHE 390 Cb 0.04 0.00 0.81 0.00 -1.61 0.00 0.00 39.48 38.71 1u0g n PHE 390 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1u0g h TYR 391 N 0.00 0.00 -0.62 2.97 -1.99 -1.66 -1.33 116.97 114.34 1u0g h TYR 391 Ca 0.00 0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.86 1u0g h TYR 391 Cb 0.15 0.00 -0.10 0.00 2.00 0.00 0.00 36.73 38.78 1u0g h TYR 391 CO 0.00 0.07 0.01 0.37 -0.00 0.00 0.00 178.16 178.61 1u0g h GLN 392 N 0.00 0.12 -0.38 4.88 5.75 -1.85 0.61 115.11 124.25 1u0g h GLN 392 Ca -0.00 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.36 1u0g h GLN 392 Cb 0.34 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1u0g h GLN 392 CO 0.01 0.08 -0.27 1.25 -2.65 0.00 0.00 178.83 177.26 1u0g h LEU 393 N 0.13 0.89 -0.86 -2.39 6.46 -1.60 -0.44 115.31 117.50 1u0g h LEU 393 Ca 0.33 -0.43 0.04 0.00 -0.12 0.00 0.00 57.88 57.70 1u0g h LEU 393 Cb 0.53 -0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.16 1u0g h LEU 393 CO -0.53 1.13 0.55 0.40 -0.62 0.00 0.00 178.44 179.37 1u0g h ILE 394 N 0.65 1.10 0.12 4.05 2.04 -1.19 0.04 117.51 124.33 1u0g h ILE 394 Ca 0.07 -0.36 -0.29 0.00 1.00 0.00 0.00 64.86 65.29 1u0g h ILE 394 Cb 0.84 -0.03 0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1u0g h ILE 394 CO 0.07 0.19 -1.23 0.45 0.00 0.00 0.00 178.15 177.63 1u0g h HIS 395 N 1.04 0.80 0.00 1.37 3.86 -0.80 -3.41 115.15 118.01 1u0g h HIS 395 Ca 0.35 -0.52 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1u0g h HIS 395 Cb 0.06 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1u0g h HIS 395 CO -0.02 1.38 -0.11 1.04 0.86 0.00 0.00 177.93 181.08 1u0g n GLN 396 N -3.70 0.48 -0.04 2.45 6.02 -0.18 -4.60 117.38 117.81 1u0g n GLN 396 Ca -0.12 -0.85 0.00 0.00 -0.01 0.00 0.00 57.00 56.03 1u0g n GLN 396 Cb 0.99 -0.62 0.00 0.00 1.02 0.00 0.00 30.24 31.63 1u0g n GLN 396 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u0g n GLY 397 N -0.14 -0.04 0.45 1.08 0.00 -0.01 -4.94 105.19 101.59 1u0g n GLY 397 Ca 0.01 -1.75 0.07 0.00 0.00 0.00 0.00 46.02 44.35 1u0g n GLY 397 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u0g n THR 398 N -0.25 1.76 -4.81 2.61 -2.24 -1.26 -5.01 114.28 105.10 1u0g n THR 398 Ca 0.00 -1.74 -0.33 0.00 -2.27 0.00 0.00 64.05 59.71 1u0g n THR 398 Cb 0.00 -0.02 -0.13 0.00 -2.10 0.00 0.00 70.33 68.08 1u0g n THR 398 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u0g s LYS 399 N -2.29 2.63 -0.20 -0.78 3.01 -1.26 -5.11 119.74 115.75 1u0g s LYS 399 Ca 0.30 -0.65 -0.19 0.00 -1.01 0.00 0.00 55.97 54.42 1u0g s LYS 399 Cb 0.24 -2.46 -0.03 0.00 -1.01 0.00 0.00 37.83 34.57 1u0g s LYS 399 CO 0.07 0.61 0.54 1.41 0.51 0.00 0.00 175.35 178.48 1u0g s MET 400 N -0.68 4.19 -0.30 1.68 -2.45 -1.26 -4.92 119.30 115.55 1u0g s MET 400 Ca 0.10 0.44 -0.02 0.00 -1.25 0.00 0.00 55.69 54.97 1u0g s MET 400 Cb -0.11 -3.57 0.10 0.00 1.25 0.00 0.00 34.83 32.50 1u0g s MET 400 CO 0.01 -0.17 0.11 0.42 1.05 0.00 0.00 175.02 176.44 1u0g s ILE 401 N 1.70 0.52 0.24 10.11 1.01 -1.26 -4.69 121.20 128.84 1u0g s ILE 401 Ca 0.25 -1.18 -0.31 0.00 0.00 0.00 0.00 60.65 59.41 1u0g s ILE 401 Cb -0.15 -1.41 -0.11 0.00 0.01 0.00 0.00 42.46 40.79 1u0g s ILE 401 CO 0.10 -0.70 1.60 -2.84 0.00 0.00 0.00 174.94 173.09 1u0g s PRO 402 N 1.77 4.16 -0.05 2.79 0.02 -1.26 -4.78 135.00 137.66 1u0g s PRO 402 Ca 0.10 2.50 0.04 0.00 0.02 0.00 0.00 61.00 63.66 1u0g s PRO 402 Cb -0.17 -3.07 -0.00 0.00 0.02 0.00 0.00 34.50 31.28 1u0g s PRO 402 CO -0.29 -0.62 -0.17 0.00 -0.33 0.00 0.00 177.00 175.59 1u0g s ASP 404 N 0.12 5.80 -0.18 0.00 1.01 -0.19 -0.76 116.67 122.47 1u0g s ASP 404 Ca -0.06 -0.24 -0.14 0.00 0.71 0.00 0.00 52.55 52.82 1u0g s ASP 404 Cb -0.12 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 1u0g s ASP 404 CO 0.03 -0.12 0.33 -0.36 0.21 0.00 0.00 175.17 175.25 1u0g s PHE 405 N 1.70 3.42 -0.02 4.23 0.40 0.21 -0.64 117.98 127.28 1u0g s PHE 405 Ca 0.06 0.58 0.06 0.00 -0.60 0.00 0.00 56.93 57.03 1u0g s PHE 405 Cb -0.16 -2.41 -0.01 0.00 0.51 0.00 0.00 43.02 40.94 1u0g s PHE 405 CO 0.09 0.13 -0.20 -0.51 0.70 0.00 0.00 175.22 175.43 1u0g s LEU 406 N 0.83 2.03 -0.16 -0.37 1.02 -0.96 0.05 118.68 121.13 1u0g s LEU 406 Ca 0.17 -0.36 -0.22 0.00 0.02 0.00 0.00 54.13 53.74 1u0g s LEU 406 Cb -0.14 -1.02 0.06 0.00 0.02 0.00 0.00 46.19 45.11 1u0g s LEU 406 CO 0.06 0.24 0.58 -0.51 0.02 0.00 0.00 176.35 176.73 1u0g s ILE 407 N -0.43 0.01 0.18 -0.59 2.07 -0.67 0.33 121.20 122.10 1u0g s ILE 407 Ca 0.07 -0.06 -0.26 0.00 -1.41 0.00 0.00 60.65 58.99 1u0g s ILE 407 Cb -0.08 -0.84 -0.08 0.00 0.13 0.00 0.00 42.46 41.59 1u0g s ILE 407 CO -0.00 -0.03 0.80 -2.16 -1.91 0.00 0.00 174.94 171.63 1u0g s PRO 408 N -0.24 4.60 0.08 3.50 0.04 -1.26 -2.02 135.00 139.69 1u0g s PRO 408 Ca -0.04 1.20 -0.19 0.00 0.04 0.00 0.00 61.00 62.01 1u0g s PRO 408 Cb -0.03 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.17 1u0g s PRO 408 CO 0.03 0.56 1.50 0.28 0.04 0.00 0.00 177.00 179.41 1u0g h VAL 409 N 3.28 1.27 -3.27 -0.36 2.07 -0.33 -3.43 116.25 115.48 1u0g h VAL 409 Ca -0.47 -0.96 -0.59 0.00 0.82 0.00 0.00 66.70 65.50 1u0g h VAL 409 Cb 1.20 1.42 -0.11 0.00 -1.52 0.00 0.00 31.29 32.29 1u0g h VAL 409 CO 0.66 0.30 -0.38 -1.10 0.02 0.00 0.00 177.57 177.07 1u0g s GLN 410 N -4.90 4.21 0.31 1.57 -0.21 0.50 -5.02 119.66 116.12 1u0g s GLN 410 Ca -0.14 -0.01 -0.08 0.00 0.02 0.00 0.00 55.36 55.15 1u0g s GLN 410 Cb 0.07 -3.42 -0.06 0.00 1.00 0.00 0.00 33.01 30.60 1u0g s GLN 410 CO 0.75 0.28 0.62 -0.08 -2.12 0.00 0.00 175.29 174.74 1u0g s THR 411 N 0.38 4.92 -0.39 -0.19 -1.32 -1.26 -4.43 115.64 113.34 1u0g s THR 411 Ca 0.14 0.36 0.27 0.00 -1.21 0.00 0.00 61.69 61.24 1u0g s THR 411 Cb -0.12 -3.70 0.32 0.00 -1.51 0.00 0.00 72.50 67.49 1u0g s THR 411 CO 0.02 -0.30 1.77 1.56 -2.21 0.00 0.00 174.62 175.45 1u0g h GLN 412 N 1.81 0.00 -2.55 7.08 1.08 -1.98 -3.37 115.11 117.18 1u0g h GLN 412 Ca -0.47 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.13 1u0g h GLN 412 Cb 1.18 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.22 1u0g h GLN 412 CO 0.66 0.00 -0.86 0.72 -0.95 0.00 0.00 178.83 178.40 1u0g n HIS 413 N -2.70 0.38 -1.12 2.96 8.25 -1.26 -5.02 115.22 116.70 1u0g n HIS 413 Ca 0.03 -3.62 -0.32 0.00 -0.26 0.00 0.00 57.72 53.55 1u0g n HIS 413 Cb 0.39 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.43 1u0g n HIS 413 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1u0g n PRO 414 N 2.48 3.12 -1.36 -0.41 -0.04 -1.26 -4.91 135.00 132.63 1u0g n PRO 414 Ca 0.27 -1.90 -0.31 0.00 -0.04 0.00 0.00 63.50 61.52 1u0g n PRO 414 Cb 0.44 -2.64 0.08 0.00 -0.04 0.00 0.00 33.50 31.35 1u0g n PRO 414 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1u0g s ILE 415 N 2.42 3.36 -1.48 0.52 -4.36 -1.26 -3.30 121.20 117.10 1u0g s ILE 415 Ca 0.61 0.47 -0.09 0.00 -0.26 0.00 0.00 60.65 61.38 1u0g s ILE 415 Cb 0.17 -2.98 0.06 0.00 1.25 0.00 0.00 42.46 40.96 1u0g s ILE 415 CO -0.05 -0.55 0.79 0.54 0.24 0.00 0.00 174.94 175.91 1u0g n ARG 416 N -3.33 -4.65 -2.98 0.37 5.12 -1.26 -1.22 116.66 108.72 1u0g n ARG 416 Ca 0.09 0.54 -0.20 0.00 -1.93 0.00 0.00 57.85 56.35 1u0g n ARG 416 Cb 0.53 -5.19 0.00 0.00 -1.16 0.00 0.00 32.46 26.64 1u0g n ARG 416 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1u0g n LYS 417 N -4.49 -3.35 -0.57 5.56 5.02 -1.25 -1.62 118.16 117.45 1u0g n LYS 417 Ca -0.10 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1u0g n LYS 417 Cb 0.58 -5.35 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 1u0g n LYS 417 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u0g n GLY 418 N -1.15 0.72 0.19 0.72 0.00 -0.36 -4.99 105.19 100.34 1u0g n GLY 418 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 1u0g n GLY 418 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1u0g h LEU 419 N 0.00 0.56 -0.66 0.99 5.85 -1.21 -1.43 115.31 119.41 1u0g h LEU 419 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1u0g h LEU 419 Cb 0.00 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1u0g h LEU 419 CO 0.00 0.58 0.41 0.45 -0.34 0.00 0.00 178.44 179.54 1u0g h HIS 420 N 0.50 0.85 -0.06 1.25 3.86 -1.84 -2.14 115.15 117.57 1u0g h HIS 420 Ca 0.13 0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.19 1u0g h HIS 420 Cb 0.20 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 1u0g h HIS 420 CO 0.00 0.56 -0.66 1.25 0.86 0.00 0.00 177.93 179.94 1u0g h HIS 421 N 0.89 0.35 -0.50 2.45 -0.00 -1.83 -0.52 115.15 116.00 1u0g h HIS 421 Ca 0.24 -0.15 0.01 0.00 -0.00 0.00 0.00 60.37 60.47 1u0g h HIS 421 Cb -0.06 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.27 1u0g h HIS 421 CO -0.02 0.85 0.32 -0.22 -0.00 0.00 0.00 177.93 178.86 1u0g h LYS 422 N 0.19 0.64 -0.34 5.26 3.64 -1.09 0.98 116.57 125.85 1u0g h LYS 422 Ca -0.02 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1u0g h LYS 422 Cb 1.20 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1u0g h LYS 422 CO 0.10 0.42 0.08 0.82 -2.27 0.00 0.00 179.45 178.61 1u0g h ILE 423 N 0.66 1.22 -0.38 2.00 2.04 -1.14 -1.10 117.51 120.81 1u0g h ILE 423 Ca 0.19 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.34 1u0g h ILE 423 Cb -0.06 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 1u0g h ILE 423 CO -0.05 0.26 0.10 0.25 0.00 0.00 0.00 178.15 178.70 1u0g h LEU 424 N 0.40 0.05 -0.62 1.44 5.85 -0.86 -1.55 115.31 120.03 1u0g h LEU 424 Ca 0.11 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1u0g h LEU 424 Cb 0.31 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1u0g h LEU 424 CO 0.00 0.07 0.31 -0.07 -0.34 0.00 0.00 178.44 178.41 1u0g h LEU 425 N 0.23 0.80 -0.76 2.25 3.38 -0.68 -1.66 115.31 118.87 1u0g h LEU 425 Ca 0.18 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1u0g h LEU 425 Cb 0.20 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1u0g h LEU 425 CO -0.22 0.69 0.47 0.00 0.09 0.00 0.00 178.44 179.47 1u0g h ALA 426 N 1.14 1.01 -0.38 1.53 0.00 -0.77 -1.30 119.26 120.50 1u0g h ALA 426 Ca 0.21 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1u0g h ALA 426 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1u0g h ALA 426 CO -0.03 0.23 -0.10 -0.91 0.00 0.00 0.00 179.25 178.44 1u0g h ASN 427 N 0.89 0.74 -0.51 0.00 2.35 -1.07 -0.46 115.58 117.52 1u0g h ASN 427 Ca 0.32 -0.37 0.08 0.00 -0.55 0.00 0.00 56.30 55.78 1u0g h ASN 427 Cb 0.08 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.18 1u0g h ASN 427 CO -0.14 0.94 0.13 0.15 -1.65 0.00 0.00 177.43 176.86 1u0g h PHE 428 N 0.53 0.22 -0.14 1.19 3.57 -0.80 -0.80 116.94 120.71 1u0g h PHE 428 Ca 0.09 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1u0g h PHE 428 Cb 0.62 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1u0g h PHE 428 CO 0.05 0.03 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.82 1u0g h LEU 429 N 0.28 0.49 -0.94 0.59 3.38 -1.19 -3.30 115.31 114.62 1u0g h LEU 429 Ca 0.26 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1u0g h LEU 429 Cb 0.33 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1u0g h LEU 429 CO -0.31 0.94 0.39 0.00 0.09 0.00 0.00 178.44 179.55 1u0g h ALA 430 N 0.55 1.17 -0.45 1.53 0.00 -0.76 -2.54 119.26 118.76 1u0g h ALA 430 Ca 0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1u0g h ALA 430 Cb 0.86 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1u0g h ALA 430 CO 0.06 0.63 0.08 1.96 0.00 0.00 0.00 179.25 181.98 1u0g h GLN 431 N 1.14 0.75 -0.13 0.00 1.08 -1.23 0.17 115.11 116.89 1u0g h GLN 431 Ca 0.28 -0.20 -0.17 0.00 -1.45 0.00 0.00 58.65 57.11 1u0g h GLN 431 Cb 0.11 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1u0g h GLN 431 CO -0.04 0.76 -0.61 1.79 -0.95 0.00 0.00 178.83 179.78 1u0g h THR 432 N 0.61 1.35 -0.29 -0.54 1.35 -1.63 -0.71 112.91 113.04 1u0g h THR 432 Ca 0.14 -1.92 0.01 0.00 -0.55 0.00 0.00 66.41 64.09 1u0g h THR 432 Cb 0.37 1.91 -0.02 0.00 -1.73 0.00 0.00 68.15 68.68 1u0g h THR 432 CO 0.01 0.59 0.17 -0.08 -0.25 0.00 0.00 175.52 175.95 1u0g h GLU 433 N 0.35 0.34 -0.62 4.72 4.81 -1.21 -1.43 114.58 121.53 1u0g h GLU 433 Ca -0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1u0g h GLU 433 Cb 1.16 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 1u0g h GLU 433 CO 0.11 0.22 0.34 0.00 -0.73 0.00 0.00 179.01 178.95 1u0g h ALA 434 N 1.13 0.80 -0.71 2.92 0.00 -0.49 0.83 119.26 123.72 1u0g h ALA 434 Ca 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1u0g h ALA 434 Cb -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1u0g h ALA 434 CO -0.05 0.32 0.28 -0.07 0.00 0.00 0.00 179.25 179.72 1u0g h LEU 435 N 0.85 0.97 0.25 0.00 3.38 -1.00 -0.56 115.31 119.20 1u0g h LEU 435 Ca 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1u0g h LEU 435 Cb 0.04 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1u0g h LEU 435 CO -0.03 0.86 -0.12 -0.03 0.09 0.00 0.00 178.44 179.21 1u0g h MET 436 N 1.03 -0.33 0.17 1.13 4.05 -0.97 -0.62 114.93 119.39 1u0g h MET 436 Ca 0.24 0.02 -0.24 0.00 -0.28 0.00 0.00 59.70 59.44 1u0g h MET 436 Cb 0.20 0.07 0.03 0.00 -0.80 0.00 0.00 31.60 31.10 1u0g h MET 436 CO -0.02 0.04 -1.04 -0.22 0.23 0.00 0.00 176.91 175.90 1u0g h LYS 437 N -0.84 0.40 0.00 0.39 3.64 -0.80 -1.22 116.57 118.15 1u0g h LYS 437 Ca -0.03 -0.66 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 1u0g h LYS 437 Cb 0.51 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1u0g h LYS 437 CO 0.06 1.31 0.00 0.41 -2.27 0.00 0.00 179.45 178.96 1u0g n GLY 438 N 1.64 0.02 3.02 5.01 0.00 -0.22 -4.66 105.19 109.99 1u0g n GLY 438 Ca -0.15 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 1u0g n GLY 438 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u0g s LYS 439 N 0.00 0.29 0.64 1.61 2.20 0.72 -4.92 119.74 120.28 1u0g s LYS 439 Ca 0.00 0.69 -0.16 0.00 -0.36 0.00 0.00 55.97 56.14 1u0g s LYS 439 Cb 0.00 -0.24 -0.01 0.00 -1.51 0.00 0.00 37.83 36.08 1u0g s LYS 439 CO 0.00 -0.47 1.12 -0.51 -0.36 0.00 0.00 175.35 175.13 1u0g s LEU 440 N 2.52 3.44 0.23 5.43 1.43 -1.26 -1.64 118.68 128.84 1u0g s LEU 440 Ca 0.06 2.05 -0.07 0.00 -1.03 0.00 0.00 54.13 55.14 1u0g s LEU 440 Cb -0.14 -4.56 0.41 0.00 0.03 0.00 0.00 46.19 41.93 1u0g s LEU 440 CO -0.13 -1.60 1.67 -0.65 0.23 0.00 0.00 176.35 175.87 1u0g h PRO 441 N 0.20 0.19 -0.55 1.29 0.11 -1.95 0.57 132.00 131.86 1u0g h PRO 441 Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1u0g h PRO 441 Cb 1.25 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1u0g h PRO 441 CO 0.54 0.12 0.28 1.05 -0.21 0.00 0.00 178.00 179.79 1u0g h GLU 442 N 0.19 0.77 -0.26 1.05 9.09 -1.99 0.36 114.58 123.80 1u0g h GLU 442 Ca 0.39 -0.08 -0.11 0.00 0.05 0.00 0.00 59.36 59.60 1u0g h GLU 442 Cb 0.66 -0.15 -0.00 0.00 -1.65 0.00 0.00 28.75 27.60 1u0g h GLU 442 CO -0.54 0.58 -0.28 0.93 0.05 0.00 0.00 179.01 179.75 1u0g h GLU 443 N 0.77 0.65 -0.41 1.06 5.08 -1.54 -2.58 114.58 117.61 1u0g h GLU 443 Ca 0.20 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1u0g h GLU 443 Cb 0.05 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1u0g h GLU 443 CO -0.03 0.96 -0.05 0.00 -1.00 0.00 0.00 179.01 178.89 1u0g h ALA 444 N 0.68 1.15 -0.32 3.43 0.00 -0.45 -2.97 119.26 120.78 1u0g h ALA 444 Ca 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1u0g h ALA 444 Cb 0.85 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1u0g h ALA 444 CO 0.07 0.54 0.17 -0.09 0.00 0.00 0.00 179.25 179.94 1u0g h ARG 445 N 0.64 0.45 -0.94 0.00 2.43 -0.22 -2.56 114.38 114.17 1u0g h ARG 445 Ca 0.12 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1u0g h ARG 445 Cb 0.47 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 1u0g h ARG 445 CO 0.02 0.38 0.58 0.87 -1.51 0.00 0.00 179.97 180.31 1u0g h LYS 446 N 0.39 1.27 -0.70 0.20 6.56 -1.40 -1.52 116.57 121.37 1u0g h LYS 446 Ca 0.11 -0.11 -0.06 0.00 -1.06 0.00 0.00 60.65 59.53 1u0g h LYS 446 Cb 0.07 -0.27 -0.03 0.00 -0.57 0.00 0.00 32.23 31.43 1u0g h LYS 446 CO -0.02 0.88 0.19 0.93 -2.06 0.00 0.00 179.45 179.37 1u0g h GLU 447 N 1.29 1.11 -0.26 3.15 5.08 -1.36 -1.87 114.58 121.72 1u0g h GLU 447 Ca 0.34 -0.26 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 1u0g h GLU 447 Cb -0.07 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1u0g h GLU 447 CO -0.07 0.97 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.38 1u0g h LEU 448 N 1.04 0.72 -0.43 1.33 3.38 -1.13 -1.13 115.31 119.09 1u0g h LEU 448 Ca 0.22 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1u0g h LEU 448 Cb 0.35 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1u0g h LEU 448 CO -0.00 1.08 0.28 1.56 0.09 0.00 0.00 178.44 181.45 1u0g h GLN 449 N 0.53 0.56 0.00 1.13 4.20 -1.16 -2.32 115.11 118.05 1u0g h GLN 449 Ca 0.03 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u0g h GLN 449 Cb 1.01 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1u0g h GLN 449 CO 0.09 0.37 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 1u0g n ALA 450 N -2.22 1.75 1.18 3.87 0.00 -0.72 -2.22 120.51 122.15 1u0g n ALA 450 Ca 0.01 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.65 1u0g n ALA 450 Cb 0.03 -1.39 0.48 0.00 0.00 0.00 0.00 19.45 18.57 1u0g n ALA 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u0g n ALA 451 N -1.76 2.93 -0.95 0.00 0.00 -0.45 -4.93 120.51 115.35 1u0g n ALA 451 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1u0g n ALA 451 Cb 0.26 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1u0g n ALA 451 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u0g n GLY 452 N 1.40 0.50 3.73 0.00 0.00 -0.94 -5.03 105.19 104.84 1u0g n GLY 452 Ca 0.10 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1u0g n GLY 452 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0g s LYS 453 N -1.92 4.51 0.72 1.61 -0.14 -0.97 -5.03 119.74 118.53 1u0g s LYS 453 Ca 0.00 1.76 -0.15 0.00 -1.36 0.00 0.00 55.97 56.22 1u0g s LYS 453 Cb 0.00 -3.30 0.04 0.00 -1.68 0.00 0.00 37.83 32.89 1u0g s LYS 453 CO 0.00 -0.08 1.20 -1.54 -0.76 0.00 0.00 175.35 174.17 1u0g s SER 454 N 0.39 4.26 0.37 2.83 1.04 -1.26 -4.73 113.70 116.60 1u0g s SER 454 Ca 0.53 2.33 0.13 0.00 0.48 0.00 0.00 55.95 59.43 1u0g s SER 454 Cb -0.30 -2.59 0.94 0.00 0.10 0.00 0.00 66.02 64.18 1u0g s SER 454 CO 0.33 -2.22 1.81 1.55 0.98 0.00 0.00 173.24 175.70 1u0g h PRO 455 N -0.27 0.54 -0.12 4.02 0.13 -1.99 0.20 132.00 134.51 1u0g h PRO 455 Ca -0.48 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.54 1u0g h PRO 455 Cb 1.29 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1u0g h PRO 455 CO 0.50 0.36 -0.24 1.49 -0.23 0.00 0.00 178.00 179.88 1u0g h GLU 456 N 0.56 0.38 -0.50 0.86 4.57 -2.00 -2.37 114.58 116.08 1u0g h GLU 456 Ca 0.53 -0.24 -0.09 0.00 -1.18 0.00 0.00 59.36 58.37 1u0g h GLU 456 Cb 1.09 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 1u0g h GLU 456 CO -0.27 0.84 -0.04 -0.44 -1.18 0.00 0.00 179.01 177.91 1u0g h ASP 457 N -0.04 0.90 -0.36 1.04 3.45 -1.82 -2.79 116.42 116.81 1u0g h ASP 457 Ca 0.01 -0.33 0.02 0.00 0.43 0.00 0.00 57.03 57.16 1u0g h ASP 457 Cb 0.82 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 39.32 1u0g h ASP 457 CO 0.05 1.02 0.20 0.25 -1.57 0.00 0.00 179.24 179.19 1u0g h LEU 458 N 0.77 0.32 -1.06 1.55 6.46 -1.00 -1.67 115.31 120.68 1u0g h LEU 458 Ca 0.14 0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.82 1u0g h LEU 458 Cb 0.58 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1u0g h LEU 458 CO 0.03 0.23 -0.21 -0.08 -0.62 0.00 0.00 178.44 177.80 1u0g h GLU 459 N 0.41 0.42 -0.28 1.25 4.57 -1.36 0.14 114.58 119.73 1u0g h GLU 459 Ca 0.15 -0.14 -0.14 0.00 -1.18 0.00 0.00 59.36 58.05 1u0g h GLU 459 Cb 0.02 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1u0g h GLU 459 CO -0.08 0.61 -0.38 -0.22 -1.18 0.00 0.00 179.01 177.76 1u0g h LYS 460 N 0.38 0.75 0.02 1.92 3.64 -1.30 -3.32 116.57 118.66 1u0g h LYS 460 Ca 0.06 -0.43 -0.22 0.00 -1.27 0.00 0.00 60.65 58.79 1u0g h LYS 460 Cb 0.58 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1u0g h LYS 460 CO 0.04 1.06 -0.96 1.25 -2.27 0.00 0.00 179.45 178.57 1u0g h LEU 461 N 0.49 0.32 -0.77 5.20 6.46 -1.05 -3.41 115.31 122.55 1u0g h LEU 461 Ca 0.03 -0.28 0.10 0.00 -0.12 0.00 0.00 57.88 57.61 1u0g h LEU 461 Cb 0.97 -0.10 -0.12 0.00 -0.73 0.00 0.00 40.66 40.68 1u0g h LEU 461 CO 0.09 1.11 -0.49 0.25 -0.62 0.00 0.00 178.44 178.78 1u0g h LEU 462 N 0.12 -1.73 -1.74 2.25 5.85 -0.83 -1.55 115.31 117.67 1u0g h LEU 462 Ca -0.06 0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1u0g h LEU 462 Cb 1.62 0.79 -0.01 0.00 0.37 0.00 0.00 40.66 43.43 1u0g h LEU 462 CO 0.15 -0.30 0.10 1.55 -0.34 0.00 0.00 178.44 179.60 1u0g h PRO 463 N -0.14 0.27 0.00 5.25 0.13 -1.81 -1.30 132.00 134.40 1u0g h PRO 463 Ca 0.19 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1u0g h PRO 463 Cb 0.53 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 1u0g h PRO 463 CO -0.81 0.21 -0.07 0.45 -0.23 0.00 0.00 178.00 177.55 1u0g h HIS 464 N 0.27 0.00 -0.01 1.56 3.86 -1.56 -2.77 115.15 116.50 1u0g h HIS 464 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1u0g h HIS 464 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1u0g h HIS 464 CO 0.00 0.07 -0.25 1.63 0.86 0.00 0.00 177.93 180.23 1u0g n LYS 465 N -3.23 1.18 -2.91 2.45 4.76 -0.50 -4.91 118.16 115.00 1u0g n LYS 465 Ca -0.00 -0.81 -0.40 0.00 -2.87 0.00 0.00 58.31 54.23 1u0g n LYS 465 Cb 0.30 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 31.96 1u0g n LYS 465 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1u0g s VAL 466 N -2.38 4.73 -0.24 -0.18 1.01 -1.05 -4.88 120.40 117.42 1u0g s VAL 466 Ca 0.25 1.74 -0.03 0.00 0.00 0.00 0.00 61.98 63.94 1u0g s VAL 466 Cb 0.19 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1u0g s VAL 466 CO 0.49 0.32 -0.05 -0.36 0.00 0.00 0.00 175.10 175.50 1u0g s PHE 467 N 0.14 3.00 -0.22 5.22 0.40 -0.65 -4.95 117.98 120.93 1u0g s PHE 467 Ca 0.41 -1.21 0.29 0.00 -0.60 0.00 0.00 56.93 55.82 1u0g s PHE 467 Cb -0.21 -2.09 1.02 0.00 0.51 0.00 0.00 43.02 42.25 1u0g s PHE 467 CO 0.24 -0.63 1.83 0.93 0.70 0.00 0.00 175.22 178.29 1u0g h GLU 468 N 8.08 0.00 0.00 0.44 5.08 -1.81 0.20 114.58 126.57 1u0g h GLU 468 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1u0g h GLU 468 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1u0g h GLU 468 CO 0.60 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.02 1u0g n GLY 469 N 0.37 1.49 2.41 -3.84 0.00 -1.26 -4.79 105.19 99.57 1u0g n GLY 469 Ca 0.02 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 1u0g n GLY 469 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1u0g n ASN 470 N -2.14 -5.95 -4.40 1.61 5.15 -0.46 -4.93 115.26 104.15 1u0g n ASN 470 Ca 0.00 -0.02 -0.38 0.00 -0.60 0.00 0.00 54.58 53.57 1u0g n ASN 470 Cb 0.00 -4.95 -0.12 0.00 -0.53 0.00 0.00 39.78 34.19 1u0g n ASN 470 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1u0g s ARG 471 N -5.06 3.19 0.35 1.20 0.52 -0.28 -4.89 118.95 113.99 1u0g s ARG 471 Ca 0.01 -0.81 -0.24 0.00 -0.52 0.00 0.00 55.73 54.16 1u0g s ARG 471 Cb -0.00 -3.52 -0.10 0.00 0.52 0.00 0.00 34.95 31.85 1u0g s ARG 471 CO 0.01 -0.46 0.93 -1.25 0.02 0.00 0.00 175.30 174.55 1u0g s PRO 472 N 1.57 4.47 0.04 3.54 0.04 -1.26 -3.79 135.00 139.61 1u0g s PRO 472 Ca 0.04 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 1u0g s PRO 472 Cb -0.17 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 1u0g s PRO 472 CO 0.05 0.20 -0.00 0.95 0.04 0.00 0.00 177.00 178.24 1u0g s THR 473 N -1.76 0.18 -0.10 1.26 -4.23 -0.67 -3.36 115.64 106.97 1u0g s THR 473 Ca 0.53 -1.47 -0.03 0.00 -1.18 0.00 0.00 61.69 59.54 1u0g s THR 473 Cb -0.16 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.52 1u0g s THR 473 CO 0.21 -0.81 0.04 0.20 -0.54 0.00 0.00 174.62 173.72 1u0g s ASN 474 N -2.46 5.55 -0.20 3.99 0.01 0.06 -3.99 114.94 117.90 1u0g s ASN 474 Ca -0.00 0.23 -0.02 0.00 -0.71 0.00 0.00 52.86 52.36 1u0g s ASN 474 Cb 0.02 -1.64 -0.00 0.00 0.41 0.00 0.00 41.25 40.04 1u0g s ASN 474 CO -0.07 0.38 -0.10 -0.44 -1.51 0.00 0.00 177.10 175.36 1u0g s SER 475 N -0.90 3.94 -0.28 -1.22 0.01 -0.58 -0.62 113.70 114.05 1u0g s SER 475 Ca 0.14 -0.45 -0.01 0.00 1.31 0.00 0.00 55.95 56.93 1u0g s SER 475 Cb -0.12 -1.65 0.04 0.00 0.21 0.00 0.00 66.02 64.51 1u0g s SER 475 CO 0.03 0.01 -0.04 -0.63 0.41 0.00 0.00 173.24 173.02 1u0g s ILE 476 N 1.26 2.84 -0.05 1.44 1.01 0.11 -1.01 121.20 126.79 1u0g s ILE 476 Ca 0.03 -1.28 0.06 0.00 0.00 0.00 0.00 60.65 59.46 1u0g s ILE 476 Cb -0.14 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 1u0g s ILE 476 CO -0.04 0.02 -0.23 -0.69 0.00 0.00 0.00 174.94 173.99 1u0g s VAL 477 N 1.26 1.92 0.05 2.92 1.01 -0.56 -1.67 120.40 125.33 1u0g s VAL 477 Ca -0.04 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1u0g s VAL 477 Cb -0.19 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1u0g s VAL 477 CO -0.03 0.54 -0.06 0.72 0.00 0.00 0.00 175.10 176.27 1u0g s PHE 478 N -0.13 0.63 0.17 5.22 -0.12 -0.86 -0.01 117.98 122.88 1u0g s PHE 478 Ca -0.03 -0.64 -0.17 0.00 -0.05 0.00 0.00 56.93 56.03 1u0g s PHE 478 Cb -0.13 -0.39 0.10 0.00 -0.63 0.00 0.00 43.02 41.98 1u0g s PHE 478 CO 0.03 -0.14 1.65 1.15 -0.05 0.00 0.00 175.22 177.87 1u0g h THR 479 N 4.08 0.53 -1.89 -4.49 2.02 -1.72 0.27 112.91 111.71 1u0g h THR 479 Ca -0.35 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1u0g h THR 479 Cb 1.19 0.53 -0.20 0.00 -1.74 0.00 0.00 68.15 67.93 1u0g h THR 479 CO 0.48 0.00 0.28 -0.75 0.37 0.00 0.00 175.52 175.90 1u0g s LYS 480 N -6.20 0.94 -1.27 6.66 2.20 -1.26 -0.37 119.74 120.44 1u0g s LYS 480 Ca -0.14 0.23 -0.15 0.00 -0.36 0.00 0.00 55.97 55.56 1u0g s LYS 480 Cb 0.15 0.45 0.12 0.00 -1.51 0.00 0.00 37.83 37.03 1u0g s LYS 480 CO 0.71 -0.29 1.67 -0.11 -0.36 0.00 0.00 175.35 176.96 1u0g n LEU 481 N 0.87 5.42 -4.94 5.43 7.94 -1.26 -4.73 117.00 125.72 1u0g n LEU 481 Ca -0.17 -4.25 -0.24 0.00 -1.11 0.00 0.00 56.01 50.24 1u0g n LEU 481 Cb 0.57 -1.66 0.04 0.00 0.53 0.00 0.00 43.42 42.91 1u0g n LEU 481 CO 0.22 0.62 0.48 0.42 -1.11 0.00 0.00 177.39 178.02 1u0g s THR 482 N 2.57 2.99 0.25 1.96 -4.23 -1.26 -4.87 115.64 113.05 1u0g s THR 482 Ca 0.47 -0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.60 1u0g s THR 482 Cb 0.03 -3.19 0.22 0.00 1.34 0.00 0.00 72.50 70.90 1u0g s THR 482 CO 0.02 -0.17 1.73 -0.65 -0.54 0.00 0.00 174.62 175.01 1u0g h PRO 483 N -0.16 0.42 -0.14 3.99 0.11 -1.92 -0.69 132.00 133.61 1u0g h PRO 483 Ca -0.44 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1u0g h PRO 483 Cb 1.29 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1u0g h PRO 483 CO 0.58 0.28 0.08 0.35 -0.21 0.00 0.00 178.00 179.07 1u0g h PHE 484 N 0.43 0.20 -0.45 0.65 3.57 -1.87 -0.96 116.94 118.50 1u0g h PHE 484 Ca 0.42 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.83 1u0g h PHE 484 Cb 0.64 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1u0g h PHE 484 CO -0.17 0.21 -0.03 0.82 -2.23 0.00 0.00 178.31 176.91 1u0g h ILE 485 N 0.13 1.27 -0.51 1.41 1.08 -1.76 -1.20 117.51 117.93 1u0g h ILE 485 Ca 0.05 -1.11 0.04 0.00 -0.39 0.00 0.00 64.86 63.46 1u0g h ILE 485 Cb 0.08 1.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.86 1u0g h ILE 485 CO -0.01 0.38 0.27 0.25 -0.69 0.00 0.00 178.15 178.35 1u0g h LEU 486 N 0.66 0.39 -0.51 1.44 5.85 -1.04 0.08 115.31 122.18 1u0g h LEU 486 Ca 0.12 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.94 1u0g h LEU 486 Cb 0.55 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1u0g h LEU 486 CO 0.03 0.27 0.19 1.23 -0.34 0.00 0.00 178.44 179.83 1u0g h GLY 487 N 0.52 0.70 1.01 3.75 0.00 -0.80 -0.51 103.07 107.73 1u0g h GLY 487 Ca 0.22 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.45 1u0g h GLY 487 CO -0.14 0.02 0.43 0.00 0.00 0.00 0.00 176.54 176.85 1u0g h ALA 488 N 1.34 0.84 -0.45 3.60 0.00 -0.64 -1.79 119.26 122.16 1u0g h ALA 488 Ca 0.25 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1u0g h ALA 488 Cb 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1u0g h ALA 488 CO -0.24 0.28 -0.06 -0.07 0.00 0.00 0.00 179.25 179.15 1u0g h LEU 489 N 0.90 0.83 -0.14 0.00 3.38 -0.37 -1.20 115.31 118.71 1u0g h LEU 489 Ca 0.24 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1u0g h LEU 489 Cb -0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1u0g h LEU 489 CO -0.05 0.98 0.05 0.40 0.09 0.00 0.00 178.44 179.90 1u0g h ILE 490 N 0.67 1.17 -0.78 1.22 2.04 -0.99 -2.82 117.51 118.01 1u0g h ILE 490 Ca 0.12 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.51 1u0g h ILE 490 Cb 0.59 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 1u0g h ILE 490 CO 0.04 0.15 0.52 0.00 0.00 0.00 0.00 178.15 178.85 1u0g h ALA 491 N 0.88 1.54 -0.19 1.87 0.00 -1.26 -1.12 119.26 120.99 1u0g h ALA 491 Ca 0.05 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1u0g h ALA 491 Cb 0.19 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1u0g h ALA 491 CO -0.00 0.37 -0.09 1.98 0.00 0.00 0.00 179.25 181.51 1u0g h MET 492 N 0.95 -0.07 -0.32 0.00 -1.53 -0.99 -1.17 114.93 111.80 1u0g h MET 492 Ca 0.32 0.00 -0.13 0.00 -3.44 0.00 0.00 59.70 56.45 1u0g h MET 492 Cb 0.07 0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.12 1u0g h MET 492 CO -0.09 -0.05 -0.32 1.88 0.14 0.00 0.00 176.91 178.47 1u0g h TYR 493 N -0.07 0.81 -0.53 1.39 -1.99 -1.25 -0.64 116.97 114.69 1u0g h TYR 493 Ca 0.10 -0.21 0.10 0.00 2.00 0.00 0.00 58.73 60.72 1u0g h TYR 493 Cb 0.23 -0.18 -0.08 0.00 2.00 0.00 0.00 36.73 38.70 1u0g h TYR 493 CO -0.25 0.93 0.10 0.93 -0.00 0.00 0.00 178.16 179.87 1u0g h GLU 494 N 0.59 0.22 -0.02 4.88 5.08 -0.82 -0.96 114.58 123.55 1u0g h GLU 494 Ca 0.07 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1u0g h GLU 494 Cb 0.83 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1u0g h GLU 494 CO 0.07 0.15 -0.74 0.45 -1.00 0.00 0.00 179.01 177.94 1u0g h HIS 495 N 0.23 0.17 -0.17 4.33 3.86 -0.94 -1.64 115.15 120.99 1u0g h HIS 495 Ca 0.27 -0.08 0.05 0.00 -1.16 0.00 0.00 60.37 59.45 1u0g h HIS 495 Cb 0.38 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.77 1u0g h HIS 495 CO -0.24 0.81 -0.22 -0.22 0.86 0.00 0.00 177.93 178.92 1u0g h LYS 496 N 0.08 -0.24 -0.89 2.45 3.64 -0.65 -1.01 116.57 119.95 1u0g h LYS 496 Ca -0.02 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1u0g h LYS 496 Cb 1.30 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.13 1u0g h LYS 496 CO 0.11 -0.16 0.58 0.82 -2.27 0.00 0.00 179.45 178.53 1u0g h ILE 497 N -0.25 1.23 -0.10 2.00 2.04 -0.86 -1.84 117.51 119.74 1u0g h ILE 497 Ca 0.11 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.56 1u0g h ILE 497 Cb 0.42 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1u0g h ILE 497 CO -0.32 0.23 -0.04 0.15 0.00 0.00 0.00 178.15 178.17 1u0g h PHE 498 N 1.21 -0.08 -0.70 1.37 3.57 -1.01 -1.31 116.94 119.99 1u0g h PHE 498 Ca 0.33 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 1u0g h PHE 498 Cb -0.12 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 1u0g h PHE 498 CO -0.01 -0.06 0.38 0.28 -2.23 0.00 0.00 178.31 176.67 1u0g h VAL 499 N -0.02 1.22 -0.54 1.41 2.07 -0.74 -1.23 116.25 118.41 1u0g h VAL 499 Ca 0.05 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 1u0g h VAL 499 Cb 0.10 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1u0g h VAL 499 CO -0.11 0.24 0.20 1.56 0.02 0.00 0.00 177.57 179.47 1u0g h GLN 500 N 0.97 0.82 -0.42 1.57 4.20 -1.14 -1.45 115.11 119.66 1u0g h GLN 500 Ca 0.25 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.83 1u0g h GLN 500 Cb 0.04 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 1u0g h GLN 500 CO -0.04 0.73 0.19 0.78 -0.67 0.00 0.00 178.83 179.82 1u0g h GLY 501 N 0.74 0.56 1.01 3.46 0.00 -0.83 -0.49 103.07 107.53 1u0g h GLY 501 Ca 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 1u0g h GLY 501 CO -0.01 0.08 0.20 -2.22 0.00 0.00 0.00 176.54 174.59 1u0g h ILE 502 N 0.39 1.24 -0.70 2.60 1.08 -1.00 -1.11 117.51 120.02 1u0g h ILE 502 Ca 0.18 -0.82 -0.04 0.00 -0.39 0.00 0.00 64.86 63.80 1u0g h ILE 502 Cb 0.12 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 1u0g h ILE 502 CO -0.15 0.31 0.30 0.24 -0.69 0.00 0.00 178.15 178.16 1u0g h MET 503 N 0.88 1.02 0.00 2.37 2.86 -0.87 -1.83 114.93 119.37 1u0g h MET 503 Ca 0.20 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1u0g h MET 503 Cb 0.28 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1u0g h MET 503 CO -0.01 0.82 0.00 0.91 1.06 0.00 0.00 176.91 179.69 1u0g n TRP 504 N -4.31 0.00 -2.37 -0.22 8.01 -0.23 -4.52 117.44 113.81 1u0g n TRP 504 Ca 0.06 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 56.09 1u0g n TRP 504 Cb 0.16 -0.38 -0.00 0.00 -2.01 0.00 0.00 31.31 29.08 1u0g n TRP 504 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1u0g n ASP 505 N -1.38 -4.84 -4.90 -0.99 2.03 -0.51 -4.75 116.55 101.22 1u0g n ASP 505 Ca 0.11 -0.04 -0.21 0.00 0.52 0.00 0.00 54.79 55.17 1u0g n ASP 505 Cb 0.28 -3.93 -0.02 0.00 -0.72 0.00 0.00 41.12 36.73 1u0g n ASP 505 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1u0g s ILE 506 N -2.83 2.55 -0.50 5.18 -4.36 -0.68 -1.02 121.20 119.54 1u0g s ILE 506 Ca 0.03 -1.32 -0.18 0.00 -0.26 0.00 0.00 60.65 58.91 1u0g s ILE 506 Cb -0.01 -2.87 0.06 0.00 1.25 0.00 0.00 42.46 40.89 1u0g s ILE 506 CO 0.03 0.00 0.59 0.21 0.24 0.00 0.00 174.94 176.01 1u0g s ASN 507 N -4.19 6.21 0.00 4.36 2.47 -1.26 -4.51 114.94 118.02 1u0g s ASN 507 Ca 0.48 -1.00 0.19 0.00 0.42 0.00 0.00 52.86 52.95 1u0g s ASN 507 Cb -0.04 -2.27 0.96 0.00 -1.45 0.00 0.00 41.25 38.45 1u0g s ASN 507 CO 0.28 -0.86 1.59 -1.20 -3.72 0.00 0.00 177.10 173.19 1u0g n SER 508 N 6.01 0.00 -0.08 -4.21 7.64 -1.26 -3.88 113.62 117.84 1u0g n SER 508 Ca -0.08 0.04 0.01 0.00 1.01 0.00 0.00 58.87 59.85 1u0g n SER 508 Cb 0.45 -0.29 0.01 0.00 -1.01 0.00 0.00 64.21 63.36 1u0g n SER 508 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1u0g n PHE 509 N -1.29 0.00 -3.17 1.43 3.01 -1.26 -4.35 117.46 111.82 1u0g n PHE 509 Ca 0.09 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.34 1u0g n PHE 509 Cb 0.15 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.68 1u0g n PHE 509 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1u0g s ASP 510 N -0.26 5.00 -0.47 4.37 1.47 -1.25 -4.96 116.67 120.56 1u0g s ASP 510 Ca 0.03 -0.94 0.06 0.00 1.18 0.00 0.00 52.55 52.87 1u0g s ASP 510 Cb 0.02 0.38 0.29 0.00 -0.34 0.00 0.00 42.92 43.27 1u0g s ASP 510 CO 0.03 -1.35 1.04 0.00 0.68 0.00 0.00 175.17 175.57 1u0g n GLN 511 N -2.20 0.90 0.28 2.11 0.00 -1.26 -4.76 117.38 112.45 1u0g n GLN 511 Ca 0.13 -1.82 0.14 0.00 0.00 0.00 0.00 57.00 55.45 1u0g n GLN 511 Cb 0.62 -1.18 0.82 0.00 0.00 0.00 0.00 30.24 30.50 1u0g n GLN 511 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1u0g h TRP 512 N 3.37 0.00 -0.07 2.61 4.06 -1.97 -0.52 115.95 123.42 1u0g h TRP 512 Ca -0.12 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.68 1u0g h TRP 512 Cb 1.08 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 1u0g h TRP 512 CO 0.19 0.06 -0.61 0.78 -3.56 0.00 0.00 178.44 175.31 1u0g h GLY 513 N 0.46 0.28 1.10 1.49 0.00 -1.96 0.68 103.07 105.11 1u0g h GLY 513 Ca -0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 47.33 46.80 1u0g h GLY 513 CO 0.01 0.31 -0.60 -2.08 0.00 0.00 0.00 176.54 174.18 1u0g h VAL 514 N 0.19 1.29 -0.67 4.60 2.07 -1.60 -2.34 116.25 119.78 1u0g h VAL 514 Ca -0.01 -1.80 -0.04 0.00 0.82 0.00 0.00 66.70 65.67 1u0g h VAL 514 Cb 1.12 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 1u0g h VAL 514 CO 0.10 0.57 0.27 -0.33 0.02 0.00 0.00 177.57 178.20 1u0g h GLU 515 N 0.52 1.01 -0.41 1.57 4.39 -1.04 -2.52 114.58 118.11 1u0g h GLU 515 Ca -0.01 -0.19 0.05 0.00 0.34 0.00 0.00 59.36 59.55 1u0g h GLU 515 Cb 1.22 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.66 1u0g h GLU 515 CO 0.13 0.84 0.14 1.25 -1.16 0.00 0.00 179.01 180.22 1u0g h LEU 516 N 0.96 0.15 -0.97 1.33 5.85 -0.84 -2.54 115.31 119.25 1u0g h LEU 516 Ca 0.22 0.05 0.21 0.00 0.84 0.00 0.00 57.88 59.20 1u0g h LEU 516 Cb 0.21 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.16 1u0g h LEU 516 CO -0.02 0.12 0.56 1.23 -0.34 0.00 0.00 178.44 179.99 1u0g h GLY 517 N 0.31 1.76 1.73 3.75 0.00 -0.99 -0.70 103.07 108.93 1u0g h GLY 517 Ca 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1u0g h GLY 517 CO -0.19 -0.16 0.00 0.28 0.00 0.00 0.00 176.54 176.47 1u0g n LYS 518 N -4.86 0.16 -0.00 4.80 5.02 -0.96 -2.76 118.16 119.56 1u0g n LYS 518 Ca 0.24 0.14 0.09 0.00 -2.02 0.00 0.00 58.31 56.76 1u0g n LYS 518 Cb 0.63 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 34.03 1u0g n LYS 518 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u0g n GLN 519 N -1.36 1.04 0.12 1.97 10.64 -0.27 -4.77 117.38 124.74 1u0g n GLN 519 Ca 0.07 -0.03 -0.24 0.00 -1.83 0.00 0.00 57.00 54.97 1u0g n GLN 519 Cb 0.17 -1.35 -0.16 0.00 -0.86 0.00 0.00 30.24 28.04 1u0g n GLN 519 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1u0g h LEU 520 N 0.00 0.76 -0.87 2.61 3.38 -1.50 -3.36 115.31 116.33 1u0g h LEU 520 Ca 0.00 -0.91 -0.04 0.00 0.09 0.00 0.00 57.88 57.02 1u0g h LEU 520 Cb 0.49 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1u0g h LEU 520 CO 0.00 1.73 -0.21 0.00 0.09 0.00 0.00 178.44 180.05 1u0g h ALA 521 N 0.15 0.96 -0.19 1.53 0.00 -1.86 -3.17 119.26 116.69 1u0g h ALA 521 Ca -0.29 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.48 1u0g h ALA 521 Cb 2.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 1u0g h ALA 521 CO 0.24 0.26 0.14 0.87 0.00 0.00 0.00 179.25 180.76 1u0g h LYS 522 N 0.00 0.05 0.00 0.00 1.57 -1.91 -1.22 116.57 115.05 1u0g h LYS 522 Ca -0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1u0g h LYS 522 Cb 0.84 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1u0g h LYS 522 CO 0.03 0.03 -0.02 0.87 -0.57 0.00 0.00 179.45 179.79 1u0g h LYS 523 N 0.05 0.00 0.00 3.15 6.56 -1.79 -3.36 116.57 121.18 1u0g h LYS 523 Ca 0.09 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.37 1u0g h LYS 523 Cb 0.30 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 31.90 1u0g h LYS 523 CO -0.01 0.00 -2.16 -0.89 -2.06 0.00 0.00 179.45 174.34 1u0g n ILE 524 N -2.87 1.16 -0.28 1.86 2.08 -0.84 -4.62 119.36 115.84 1u0g n ILE 524 Ca 0.04 -0.60 0.03 0.00 0.56 0.00 0.00 62.75 62.78 1u0g n ILE 524 Cb 0.50 -0.85 0.11 0.00 -0.75 0.00 0.00 39.64 38.65 1u0g n ILE 524 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1u0g h GLU 525 N 0.00 0.00 -0.13 0.38 5.08 -1.39 -0.56 114.58 117.97 1u0g h GLU 525 Ca -0.46 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.84 1u0g h GLU 525 Cb 1.90 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 1u0g h GLU 525 CO -0.02 0.00 -0.19 -1.35 -1.00 0.00 0.00 179.01 176.46 1u0g h PRO 526 N 0.00 0.21 0.00 2.33 0.11 -1.82 -2.60 132.00 130.24 1u0g h PRO 526 Ca 0.39 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.39 1u0g h PRO 526 Cb 0.61 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1u0g h PRO 526 CO -0.83 0.40 -0.28 0.93 -0.21 0.00 0.00 178.00 178.01 1u0g h GLU 527 N 0.20 0.00 0.00 1.05 3.07 -1.36 -2.83 114.58 114.70 1u0g h GLU 527 Ca 0.04 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.83 1u0g h GLU 527 Cb 0.46 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1u0g h GLU 527 CO 0.03 0.28 -0.33 -0.07 -1.40 0.00 0.00 179.01 177.52 1u0g h LEU 528 N 0.00 0.00 -9.60 1.33 3.38 -1.22 -3.43 115.31 105.76 1u0g h LEU 528 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1u0g h LEU 528 Cb 0.70 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.47 1u0g h LEU 528 CO 0.04 0.33 0.58 -1.61 0.09 0.00 0.00 178.44 177.87 1u0g s GLU 529 N -3.59 4.45 0.00 1.13 2.02 -1.07 -4.88 118.70 116.76 1u0g s GLU 529 Ca 0.00 1.88 0.00 0.00 0.02 0.00 0.00 54.97 56.87 1u0g s GLU 529 Cb 0.11 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1u0g s GLU 529 CO 0.67 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 176.18 1u0g n GLY 530 N 2.63 -0.81 0.91 -1.39 0.00 -1.26 -4.71 105.19 100.56 1u0g n GLY 530 Ca 0.06 -1.67 0.11 0.00 0.00 0.00 0.00 46.02 44.53 1u0g n GLY 530 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u0g n SER 531 N -1.59 2.71 -4.77 1.61 7.64 -1.26 -4.98 113.62 112.98 1u0g n SER 531 Ca 0.00 -1.89 -0.38 0.00 1.01 0.00 0.00 58.87 57.61 1u0g n SER 531 Cb 0.00 -0.20 -0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1u0g n SER 531 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1u0g s SER 532 N -1.48 6.17 0.24 6.43 1.04 -1.26 -4.99 113.70 119.84 1u0g s SER 532 Ca 0.36 2.52 -0.30 0.00 0.48 0.00 0.00 55.95 59.01 1u0g s SER 532 Cb 0.20 -2.62 -0.09 0.00 0.10 0.00 0.00 66.02 63.61 1u0g s SER 532 CO 0.29 -0.93 1.14 0.00 0.98 0.00 0.00 173.24 174.71 1u0g s ALA 533 N -1.37 3.41 -0.28 5.32 0.00 -1.26 -5.03 121.76 122.56 1u0g s ALA 533 Ca 0.61 0.92 -0.10 0.00 0.00 0.00 0.00 51.96 53.38 1u0g s ALA 533 Cb -0.35 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1u0g s ALA 533 CO 0.43 -0.25 0.16 0.08 0.00 0.00 0.00 175.76 176.18 1u0g s VAL 534 N -0.72 4.96 0.00 0.00 1.01 -1.26 -4.90 120.40 119.49 1u0g s VAL 534 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1u0g s VAL 534 Cb -0.32 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1u0g s VAL 534 CO 0.40 0.24 0.72 0.35 0.00 0.00 0.00 175.10 176.81 1u0g n THR 535 N 5.02 0.47 -0.32 3.92 -2.24 -1.26 -4.72 114.28 115.14 1u0g n THR 535 Ca -0.15 -0.72 -0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1u0g n THR 535 Cb 0.51 0.78 0.13 0.00 -2.10 0.00 0.00 70.33 69.66 1u0g n THR 535 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1u0g h SER 536 N 0.00 0.91 -3.41 3.42 0.87 -1.99 -3.46 113.55 109.88 1u0g h SER 536 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1u0g h SER 536 Cb 0.26 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1u0g h SER 536 CO 0.00 0.60 0.00 1.41 -0.53 0.00 0.00 176.83 178.31 1u0g n HIS 537 N -4.57 -2.03 -0.79 2.24 8.25 -1.26 -5.09 115.22 111.97 1u0g n HIS 537 Ca 0.12 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.26 1u0g n HIS 537 Cb 0.13 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.40 1u0g n HIS 537 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1u0g s ASP 538 N -0.95 3.05 0.48 0.41 1.47 -1.26 -4.77 116.67 115.10 1u0g s ASP 538 Ca 0.00 2.25 0.22 0.00 1.18 0.00 0.00 52.55 56.20 1u0g s ASP 538 Cb 0.00 -2.57 1.24 0.00 -0.34 0.00 0.00 42.92 41.24 1u0g s ASP 538 CO 0.00 -3.02 2.03 0.77 0.68 0.00 0.00 175.17 175.62 1u0g h SER 539 N -1.63 0.00 0.62 2.11 4.64 -1.98 -1.20 113.55 116.10 1u0g h SER 539 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 1u0g h SER 539 Cb 1.28 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1u0g h SER 539 CO 0.42 0.16 -0.30 -1.28 -0.87 0.00 0.00 176.83 174.97 1u0g h SER 540 N 0.00 -0.70 -0.73 4.97 0.87 -1.98 0.19 113.55 116.17 1u0g h SER 540 Ca -0.00 0.01 0.16 0.00 -1.23 0.00 0.00 61.79 60.72 1u0g h SER 540 Cb 0.35 0.18 -0.11 0.00 -0.44 0.00 0.00 62.40 62.39 1u0g h SER 540 CO 0.02 -0.31 0.17 0.74 -0.53 0.00 0.00 176.83 176.92 1u0g h THR 541 N -1.20 0.51 -0.67 2.23 2.02 -1.90 0.15 112.91 114.06 1u0g h THR 541 Ca -0.08 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1u0g h THR 541 Cb 0.65 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1u0g h THR 541 CO 0.14 0.05 0.41 0.78 0.37 0.00 0.00 175.52 177.27 1u0g h ASN 542 N 0.26 0.80 -0.08 4.18 2.35 -1.19 -1.67 115.58 120.23 1u0g h ASN 542 Ca 0.41 -0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.96 1u0g h ASN 542 Cb 0.70 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1u0g h ASN 542 CO -0.51 0.62 -0.43 1.23 -1.65 0.00 0.00 177.43 176.69 1u0g h GLY 543 N 0.91 0.68 0.90 2.83 0.00 0.99 -0.89 103.07 108.49 1u0g h GLY 543 Ca 0.24 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 1u0g h GLY 543 CO -0.05 0.63 -0.03 1.41 0.00 0.00 0.00 176.54 178.50 1u0g h LEU 544 N 0.51 0.59 -0.43 3.11 3.38 -0.67 -1.25 115.31 120.55 1u0g h LEU 544 Ca 0.04 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1u0g h LEU 544 Cb 0.95 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1u0g h LEU 544 CO 0.09 0.79 0.26 0.40 0.09 0.00 0.00 178.44 180.06 1u0g h ILE 545 N 0.39 1.05 -0.62 1.22 2.04 -1.15 -0.44 117.51 120.00 1u0g h ILE 545 Ca 0.09 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1u0g h ILE 545 Cb 0.50 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1u0g h ILE 545 CO 0.02 0.10 0.35 0.28 0.00 0.00 0.00 178.15 178.90 1u0g h SER 546 N 0.52 0.53 -0.41 1.72 0.02 -1.04 -0.20 113.55 114.69 1u0g h SER 546 Ca 0.17 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1u0g h SER 546 Cb 0.00 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1u0g h SER 546 CO -0.07 0.35 0.25 0.15 -1.14 0.00 0.00 176.83 176.37 1u0g h PHE 547 N 0.66 0.54 -0.34 3.45 3.57 -0.87 -0.78 116.94 123.17 1u0g h PHE 547 Ca 0.27 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.80 1u0g h PHE 547 Cb 0.14 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1u0g h PHE 547 CO -0.08 0.38 0.15 0.82 -2.23 0.00 0.00 178.31 177.36 1u0g h ILE 548 N 0.54 0.96 -0.64 1.41 2.04 -0.58 -0.30 117.51 120.94 1u0g h ILE 548 Ca 0.15 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 1u0g h ILE 548 Cb 0.00 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1u0g h ILE 548 CO -0.03 0.06 0.09 0.11 0.00 0.00 0.00 178.15 178.38 1u0g h LYS 549 N 0.32 1.06 -0.52 2.37 1.57 -0.83 -1.88 116.57 118.67 1u0g h LYS 549 Ca 0.14 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 1u0g h LYS 549 Cb 0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1u0g h LYS 549 CO -0.11 0.98 -0.05 0.37 -0.57 0.00 0.00 179.45 180.07 1u0g h GLN 550 N 0.99 0.92 0.00 3.15 -0.00 -0.86 -3.30 115.11 116.01 1u0g h GLN 550 Ca 0.20 -0.29 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 1u0g h GLN 550 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.84 1u0g h GLN 550 CO 0.01 0.94 -0.94 1.04 0.00 0.00 0.00 178.83 179.88 1u0g n GLN 551 N -4.18 0.30 0.18 1.69 1.13 -0.15 -4.41 117.38 111.94 1u0g n GLN 551 Ca 0.02 0.02 0.14 0.00 -1.94 0.00 0.00 57.00 55.24 1u0g n GLN 551 Cb 0.35 -1.62 0.59 0.00 0.11 0.00 0.00 30.24 29.68 1u0g n GLN 551 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 1u0g h ARG 552 N 0.00 0.00 0.00 -1.09 0.11 -1.42 -3.11 114.38 108.87 1u0g h ARG 552 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1u0g h ARG 552 Cb 0.74 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.81 1u0g h ARG 552 CO 0.00 0.00 -1.89 -0.25 0.10 0.00 0.00 179.97 177.93 1u0g n ASP 553 N -2.49 0.76 -4.74 0.08 8.00 -1.26 -5.01 116.55 111.89 1u0g n ASP 553 Ca 0.01 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.09 1u0g n ASP 553 Cb 0.21 1.74 -0.02 0.00 -0.02 0.00 0.00 41.12 43.03 1u0g n ASP 553 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1u0g s THR 554 N -3.19 2.35 -0.44 -3.53 -4.23 -1.18 -4.95 115.64 100.48 1u0g s THR 554 Ca -0.07 0.28 -0.20 0.00 -1.18 0.00 0.00 61.69 60.53 1u0g s THR 554 Cb 0.11 -3.18 0.03 0.00 1.34 0.00 0.00 72.50 70.80 1u0g s THR 554 CO 0.76 0.04 0.60 -0.75 -0.54 0.00 0.00 174.62 174.73 1u0g s LYS 555 N -0.00 3.22 0.00 3.99 2.36 -1.26 -5.11 119.74 122.93 1u0g s LYS 555 Ca 0.64 -0.52 0.30 0.00 -2.55 0.00 0.00 55.97 53.84 1u0g s LYS 555 Cb -0.45 -3.97 1.50 0.00 -1.05 0.00 0.00 37.83 33.85 1u0g s LYS 555 CO 0.42 -1.00 2.00 1.28 1.55 0.00 0.00 175.35 179.59