#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l2a s PRO 29 N 0.00 4.55 0.16 1.61 0.04 -1.26 -4.58 135.00 135.52 1l2a s PRO 29 Ca 0.00 1.83 0.02 0.00 0.04 0.00 0.00 61.00 62.89 1l2a s PRO 29 Cb 0.00 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 1l2a s PRO 29 CO 0.00 0.12 -0.02 0.95 0.04 0.00 0.00 177.00 178.09 1l2a s THR 30 N -1.21 0.74 0.25 1.26 -4.23 0.83 -4.94 115.64 108.34 1l2a s THR 30 Ca 0.46 -1.98 -0.31 0.00 -1.18 0.00 0.00 61.69 58.68 1l2a s THR 30 Cb -0.32 -2.04 -0.12 0.00 1.34 0.00 0.00 72.50 71.36 1l2a s THR 30 CO 0.41 -0.55 1.67 0.29 -0.54 0.00 0.00 174.62 175.91 1l2a n LYS 31 N -0.22 2.76 -2.32 3.99 4.01 -1.26 -2.55 118.16 122.58 1l2a n LYS 31 Ca -0.08 0.99 -0.41 0.00 -0.51 0.00 0.00 58.31 58.30 1l2a n LYS 31 Cb 0.63 -2.81 -0.03 0.00 -0.51 0.00 0.00 35.03 32.30 1l2a n LYS 31 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1l2a s ALA 32 N 0.65 3.46 0.41 7.82 0.00 -0.22 -4.91 121.76 128.96 1l2a s ALA 32 Ca 0.70 1.02 0.30 0.00 0.00 0.00 0.00 51.96 53.98 1l2a s ALA 32 Cb -0.50 -3.42 1.55 0.00 0.00 0.00 0.00 23.12 20.75 1l2a s ALA 32 CO 0.39 -0.41 2.10 -1.35 0.00 0.00 0.00 175.76 176.49 1l2a h PRO 33 N 4.80 0.00 -5.98 0.00 0.11 -1.93 -3.47 132.00 125.52 1l2a h PRO 33 Ca -0.45 0.00 -0.78 0.00 0.11 0.00 0.00 66.00 64.87 1l2a h PRO 33 Cb 1.22 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.38 1l2a h PRO 33 CO 0.73 0.09 0.02 2.41 -0.21 0.00 0.00 178.00 181.04 1l2a n THR 34 N -3.52 0.12 -3.07 -1.15 -1.04 -1.26 -4.94 114.28 99.42 1l2a n THR 34 Ca -0.02 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.05 61.57 1l2a n THR 34 Cb 0.23 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.68 1l2a n THR 34 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1l2a s LYS 35 N -0.06 4.45 0.14 -2.82 0.00 -1.26 -4.85 119.74 115.34 1l2a s LYS 35 Ca 0.89 1.01 -0.27 0.00 0.00 0.00 0.00 55.97 57.60 1l2a s LYS 35 Cb -1.25 -3.28 -0.16 0.00 0.00 0.00 0.00 37.83 33.14 1l2a s LYS 35 CO 0.57 0.51 0.57 -0.25 0.00 0.00 0.00 175.35 176.75 1l2a n ASP 36 N 1.97 -0.87 0.00 0.03 9.92 -1.26 -2.41 116.55 123.92 1l2a n ASP 36 Ca -0.06 1.01 0.00 0.00 -0.53 0.00 0.00 54.79 55.21 1l2a n ASP 36 Cb 0.50 -0.84 0.00 0.00 -0.64 0.00 0.00 41.12 40.14 1l2a n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1l2a n GLY 37 N 1.68 0.62 3.73 0.44 0.00 0.12 -5.01 105.19 106.77 1l2a n GLY 37 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1l2a n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l2a s THR 38 N -2.47 2.53 0.41 2.61 2.01 -1.01 -4.70 115.64 115.01 1l2a s THR 38 Ca 0.00 0.41 -0.25 0.00 0.31 0.00 0.00 61.69 62.16 1l2a s THR 38 Cb 0.00 -3.26 -0.08 0.00 0.01 0.00 0.00 72.50 69.17 1l2a s THR 38 CO 0.00 0.05 1.17 -0.94 -0.69 0.00 0.00 174.62 174.21 1l2a s SER 39 N 0.80 6.47 0.49 3.53 1.04 -1.26 0.07 113.70 124.84 1l2a s SER 39 Ca 0.66 2.35 0.14 0.00 0.48 0.00 0.00 55.95 59.58 1l2a s SER 39 Cb -0.44 -2.61 1.16 0.00 0.10 0.00 0.00 66.02 64.23 1l2a s SER 39 CO 0.37 -0.71 2.10 1.88 0.98 0.00 0.00 173.24 177.86 1l2a h TYR 40 N 2.55 0.16 -0.50 5.02 0.05 -1.89 0.22 116.97 122.57 1l2a h TYR 40 Ca -0.49 0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.39 1l2a h TYR 40 Cb 1.24 -0.05 -0.08 0.00 1.01 0.00 0.00 36.73 38.84 1l2a h TYR 40 CO 0.55 0.09 0.01 -0.22 -1.05 0.00 0.00 178.16 177.54 1l2a h LYS 41 N 0.16 0.12 -0.36 4.88 3.64 -1.91 0.41 116.57 123.52 1l2a h LYS 41 Ca 0.08 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 1l2a h LYS 41 Cb 0.11 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1l2a h LYS 41 CO -0.01 0.08 -0.42 -0.44 -2.27 0.00 0.00 179.45 176.38 1l2a h ASP 42 N 0.12 0.98 -0.37 4.20 3.32 -1.03 -1.33 116.42 122.32 1l2a h ASP 42 Ca 0.25 -0.47 0.07 0.00 0.02 0.00 0.00 57.03 56.90 1l2a h ASP 42 Cb 0.38 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.60 1l2a h ASP 42 CO -0.42 1.26 0.00 -0.07 -1.72 0.00 0.00 179.24 178.30 1l2a h LEU 43 N 0.73 -0.14 -0.33 1.55 3.38 -0.63 -2.25 115.31 117.62 1l2a h LEU 43 Ca 0.05 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1l2a h LEU 43 Cb 1.02 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 1l2a h LEU 43 CO 0.10 -0.04 0.02 0.15 0.09 0.00 0.00 178.44 178.76 1l2a h PHE 44 N 0.11 0.01 -0.14 1.13 3.57 0.31 -1.72 116.94 120.22 1l2a h PHE 44 Ca 0.18 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1l2a h PHE 44 Cb 0.25 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1l2a h PHE 44 CO -0.25 -0.04 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.69 1l2a h LEU 45 N 0.12 0.18 0.30 0.59 3.38 -0.98 0.15 115.31 119.04 1l2a h LEU 45 Ca 0.16 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1l2a h LEU 45 Cb 0.21 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1l2a h LEU 45 CO -0.25 0.25 -0.14 -0.08 0.09 0.00 0.00 178.44 178.30 1l2a h GLU 46 N 0.20 -0.39 -0.49 1.13 4.81 -0.94 -1.21 114.58 117.69 1l2a h GLU 46 Ca 0.05 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1l2a h GLU 46 Cb 0.19 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 1l2a h GLU 46 CO 0.01 -0.05 0.23 1.25 -0.73 0.00 0.00 179.01 179.71 1l2a h LEU 47 N -0.89 0.31 -0.33 1.64 6.46 -1.13 -0.73 115.31 120.64 1l2a h LEU 47 Ca -0.04 0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 1l2a h LEU 47 Cb 0.52 -0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.36 1l2a h LEU 47 CO 0.07 0.21 -0.14 0.22 -0.62 0.00 0.00 178.44 178.18 1l2a h TYR 48 N 0.45 -0.34 -0.76 1.25 3.20 -0.77 0.10 116.97 120.10 1l2a h TYR 48 Ca 0.22 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.17 1l2a h TYR 48 Cb 0.16 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 1l2a h TYR 48 CO -0.12 -0.22 0.47 0.78 -1.64 0.00 0.00 178.16 177.43 1l2a h GLY 49 N -0.09 1.11 1.00 1.82 0.00 -0.23 -0.84 103.07 105.85 1l2a h GLY 49 Ca 0.17 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1l2a h GLY 49 CO -0.39 0.26 -0.25 0.50 0.00 0.00 0.00 176.54 176.67 1l2a h LYS 50 N 0.88 0.76 -0.98 4.80 1.57 -0.73 -0.33 116.57 122.55 1l2a h LYS 50 Ca 0.32 -0.37 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1l2a h LYS 50 Cb 0.09 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.33 1l2a h LYS 50 CO -0.14 0.99 0.63 0.82 -0.57 0.00 0.00 179.45 181.18 1l2a h ILE 51 N 0.54 1.04 0.00 1.86 2.04 -0.48 -3.08 117.51 119.43 1l2a h ILE 51 Ca 0.06 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1l2a h ILE 51 Cb 0.81 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1l2a h ILE 51 CO 0.07 0.20 -0.63 0.11 0.00 0.00 0.00 178.15 177.89 1l2a h LYS 52 N 1.10 0.00 -6.39 2.37 1.79 -0.86 -3.42 116.57 111.16 1l2a h LYS 52 Ca 0.44 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.38 1l2a h LYS 52 Cb 0.26 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1l2a h LYS 52 CO -0.19 0.00 1.12 0.34 -1.08 0.00 0.00 179.45 179.65 1l2a s ASP 53 N -5.03 6.53 0.52 0.86 -1.08 -0.16 -4.90 116.67 113.41 1l2a s ASP 53 Ca 0.04 2.55 0.21 0.00 -0.52 0.00 0.00 52.55 54.83 1l2a s ASP 53 Cb 0.10 -2.55 1.32 0.00 -1.46 0.00 0.00 42.92 40.34 1l2a s ASP 53 CO 0.73 -0.98 2.06 -0.65 0.52 0.00 0.00 175.17 176.85 1l2a h PRO 54 N 9.46 0.02 0.00 4.34 0.11 -1.90 -2.28 132.00 141.74 1l2a h PRO 54 Ca -0.45 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1l2a h PRO 54 Cb 1.21 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1l2a h PRO 54 CO 0.94 0.01 -0.25 0.87 -0.21 0.00 0.00 178.00 179.37 1l2a h LYS 55 N 0.02 0.00 0.00 1.05 6.56 -1.95 -2.81 116.57 119.44 1l2a h LYS 55 Ca 0.15 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.65 1l2a h LYS 55 Cb 0.56 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.21 1l2a h LYS 55 CO -0.00 0.25 -0.42 -0.91 -2.06 0.00 0.00 179.45 176.31 1l2a h ASN 56 N 0.00 0.00 0.00 0.86 2.35 -1.71 -3.48 115.58 113.60 1l2a h ASN 56 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1l2a h ASN 56 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1l2a h ASN 56 CO 0.03 0.42 0.00 0.61 -1.65 0.00 0.00 177.43 176.84 1l2a n GLY 57 N 0.21 0.64 0.18 2.83 0.00 -1.06 -4.96 105.19 103.03 1l2a n GLY 57 Ca -0.00 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.31 1l2a n GLY 57 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1l2a h TYR 58 N 0.00 0.00 -3.52 1.61 0.05 -1.84 -3.44 116.97 109.84 1l2a h TYR 58 Ca 0.00 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 58.12 1l2a h TYR 58 Cb 0.26 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 37.82 1l2a h TYR 58 CO 0.00 0.43 -0.79 -0.06 -1.05 0.00 0.00 178.16 176.69 1l2a s PHE 59 N -3.60 2.51 0.32 4.88 0.40 -1.26 -1.33 117.98 119.90 1l2a s PHE 59 Ca -0.00 -0.28 -0.29 0.00 -0.60 0.00 0.00 56.93 55.76 1l2a s PHE 59 Cb 0.11 -1.30 -0.11 0.00 0.51 0.00 0.00 43.02 42.24 1l2a s PHE 59 CO 0.71 0.42 1.43 -1.54 0.70 0.00 0.00 175.22 176.94 1l2a s SER 60 N -2.35 6.55 0.16 1.36 1.04 0.36 -4.83 113.70 115.99 1l2a s SER 60 Ca 0.19 2.84 -0.14 0.00 0.48 0.00 0.00 55.95 59.32 1l2a s SER 60 Cb -0.10 -2.65 0.05 0.00 0.10 0.00 0.00 66.02 63.42 1l2a s SER 60 CO 0.11 -0.73 1.74 1.55 0.98 0.00 0.00 173.24 176.89 1l2a h PRO 61 N 3.77 0.74 0.00 4.02 0.13 -1.96 -1.35 132.00 137.34 1l2a h PRO 61 Ca -0.49 -0.11 -0.12 0.00 -0.87 0.00 0.00 66.00 64.41 1l2a h PRO 61 Cb 1.23 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1l2a h PRO 61 CO 0.69 0.61 -0.58 -0.44 -0.23 0.00 0.00 178.00 178.05 1l2a h ASP 62 N 0.68 0.00 0.00 1.44 3.32 -2.00 -3.39 116.42 116.47 1l2a h ASP 62 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1l2a h ASP 62 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1l2a h ASP 62 CO -0.02 0.58 0.00 -1.84 -1.72 0.00 0.00 179.24 176.24 1l2a n GLU 63 N -3.57 0.34 -2.37 3.56 0.00 -1.24 -5.04 120.64 112.33 1l2a n GLU 63 Ca -0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 57.16 57.02 1l2a n GLU 63 Cb 0.64 -0.45 0.01 0.00 0.00 0.00 0.00 31.44 31.64 1l2a n GLU 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1l2a n GLY 64 N 0.07 0.26 3.72 -1.84 0.00 -0.51 -4.98 105.19 101.91 1l2a n GLY 64 Ca 0.00 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 1l2a n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1l2a s ILE 65 N -2.59 5.17 0.09 -0.61 1.01 -1.26 -4.68 121.20 118.33 1l2a s ILE 65 Ca 0.06 0.99 -0.31 0.00 0.00 0.00 0.00 60.65 61.39 1l2a s ILE 65 Cb -0.03 -3.84 -0.08 0.00 0.01 0.00 0.00 42.46 38.53 1l2a s ILE 65 CO 0.08 0.30 1.44 -2.16 0.00 0.00 0.00 174.94 174.60 1l2a s PRO 66 N 0.74 4.29 0.70 2.79 0.04 -1.26 -0.49 135.00 141.80 1l2a s PRO 66 Ca 0.27 2.12 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 1l2a s PRO 66 Cb -0.15 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.06 1l2a s PRO 66 CO 0.11 -0.52 1.08 0.71 0.04 0.00 0.00 177.00 178.42 1l2a s TYR 67 N 1.53 3.31 0.13 0.56 2.02 -0.44 -4.56 117.35 119.90 1l2a s TYR 67 Ca 0.66 1.01 -0.18 0.00 -0.37 0.00 0.00 57.07 58.18 1l2a s TYR 67 Cb -0.37 -3.04 -0.03 0.00 -0.40 0.00 0.00 41.96 38.12 1l2a s TYR 67 CO 0.30 -1.15 1.78 1.25 -1.57 0.00 0.00 175.55 176.15 1l2a h HIS 68 N -0.61 0.28 -3.48 2.71 -0.00 -1.08 -3.41 115.15 109.56 1l2a h HIS 68 Ca -0.45 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 59.86 1l2a h HIS 68 Cb 1.25 -0.09 -0.14 0.00 -0.00 0.00 0.00 27.41 28.44 1l2a h HIS 68 CO 0.50 0.16 -0.18 -1.54 -0.00 0.00 0.00 177.93 176.87 1l2a s SER 69 N -5.39 -0.12 0.20 3.26 1.04 -0.91 -1.30 113.70 110.46 1l2a s SER 69 Ca -0.13 -0.38 -0.12 0.00 0.48 0.00 0.00 55.95 55.80 1l2a s SER 69 Cb 0.09 0.42 0.13 0.00 0.10 0.00 0.00 66.02 66.76 1l2a s SER 69 CO 0.70 -0.78 1.86 0.40 0.98 0.00 0.00 173.24 176.40 1l2a h ILE 70 N 2.60 1.15 -3.94 -1.02 2.04 -1.74 -3.41 117.51 113.20 1l2a h ILE 70 Ca -0.34 -0.30 -0.49 0.00 1.00 0.00 0.00 64.86 64.74 1l2a h ILE 70 Cb 1.23 0.20 0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1l2a h ILE 70 CO 0.49 0.16 0.43 -1.61 0.00 0.00 0.00 178.15 177.62 1l2a s GLU 71 N -6.14 4.21 -0.03 2.37 8.01 -1.26 -4.92 118.70 120.93 1l2a s GLU 71 Ca -0.13 1.59 -0.07 0.00 0.01 0.00 0.00 54.97 56.36 1l2a s GLU 71 Cb 0.14 -2.64 -0.29 0.00 -4.31 0.00 0.00 34.13 27.03 1l2a s GLU 71 CO 0.76 -0.12 0.72 1.79 0.01 0.00 0.00 175.26 178.42 1l2a h THR 72 N 2.32 0.99 -2.85 3.63 1.35 -1.89 -3.36 112.91 113.11 1l2a h THR 72 Ca -0.48 -2.61 -0.64 0.00 -0.55 0.00 0.00 66.41 62.13 1l2a h THR 72 Cb 1.22 2.74 -0.15 0.00 -1.73 0.00 0.00 68.15 70.22 1l2a h THR 72 CO 0.63 0.83 0.42 -0.22 -0.25 0.00 0.00 175.52 176.93 1l2a s LEU 73 N -7.13 4.58 -0.26 3.87 2.96 -1.26 -0.13 118.68 121.30 1l2a s LEU 73 Ca -0.13 -0.96 -0.17 0.00 -0.22 0.00 0.00 54.13 52.64 1l2a s LEU 73 Cb 0.06 -2.46 0.07 0.00 0.50 0.00 0.00 46.19 44.36 1l2a s LEU 73 CO 0.85 -1.29 0.66 -0.51 -1.32 0.00 0.00 176.35 174.74 1l2a s ILE 74 N 3.65 -0.00 -0.08 6.68 2.07 -1.26 -4.94 121.20 127.32 1l2a s ILE 74 Ca 0.21 0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.45 1l2a s ILE 74 Cb -0.18 -0.95 0.03 0.00 0.13 0.00 0.00 42.46 41.49 1l2a s ILE 74 CO 0.11 0.00 -0.02 -0.69 -1.91 0.00 0.00 174.94 172.44 1l2a s VAL 75 N 1.32 0.50 0.00 4.00 1.01 -1.26 -2.77 120.40 123.20 1l2a s VAL 75 Ca -0.08 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1l2a s VAL 75 Cb -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1l2a s VAL 75 CO -0.14 0.28 0.00 -1.84 0.00 0.00 0.00 175.10 173.39 1l2a n GLU 76 N 5.05 0.00 0.00 2.72 0.28 -1.26 -5.04 120.64 122.39 1l2a n GLU 76 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1l2a n GLU 76 Cb 0.50 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.37 1l2a n GLU 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1l2a n ALA 77 N -3.00 0.00 -1.52 -1.84 0.00 -1.26 -4.00 120.51 108.88 1l2a n ALA 77 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1l2a n ALA 77 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1l2a n ALA 77 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1l2a s PRO 78 N -1.98 2.86 -0.13 0.00 0.04 -1.26 -4.90 135.00 129.63 1l2a s PRO 78 Ca 0.00 1.05 0.15 0.00 0.04 0.00 0.00 61.00 62.24 1l2a s PRO 78 Cb 0.00 -1.98 0.38 0.00 0.04 0.00 0.00 34.50 32.95 1l2a s PRO 78 CO 0.00 -1.17 1.28 -0.40 0.04 0.00 0.00 177.00 176.76 1l2a n ASP 79 N -3.02 3.15 -3.63 6.66 5.68 -1.26 -4.42 116.55 119.70 1l2a n ASP 79 Ca 0.08 -2.82 -0.12 0.00 -0.50 0.00 0.00 54.79 51.43 1l2a n ASP 79 Cb 0.53 -0.42 -0.07 0.00 -1.14 0.00 0.00 41.12 40.02 1l2a n ASP 79 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1l2a s TYR 80 N -2.45 -0.85 -0.15 2.11 5.04 -1.12 -4.67 117.35 115.25 1l2a s TYR 80 Ca 0.33 1.96 0.25 0.00 -2.44 0.00 0.00 57.07 57.17 1l2a s TYR 80 Cb 0.27 0.37 0.67 0.00 0.35 0.00 0.00 41.96 43.61 1l2a s TYR 80 CO 0.07 -0.41 1.72 0.78 -1.34 0.00 0.00 175.55 176.37 1l2a h GLY 81 N 5.50 0.00 -2.77 8.97 0.00 -0.67 -3.08 103.07 111.02 1l2a h GLY 81 Ca -0.29 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 1l2a h GLY 81 CO 0.08 0.00 0.11 1.42 0.00 0.00 0.00 176.54 178.15 1l2a n HIS 82 N -3.17 1.75 -1.39 5.60 8.25 -1.26 -2.15 115.22 122.85 1l2a n HIS 82 Ca 0.02 -1.11 -0.29 0.00 -0.26 0.00 0.00 57.72 56.09 1l2a n HIS 82 Cb 0.48 -0.53 0.15 0.00 1.12 0.00 0.00 29.99 31.22 1l2a n HIS 82 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1l2a s VAL 83 N -2.96 2.09 0.23 1.59 -7.23 -1.17 -3.33 120.40 109.62 1l2a s VAL 83 Ca 0.50 0.03 0.11 0.00 -1.81 0.00 0.00 61.98 60.81 1l2a s VAL 83 Cb 0.40 -2.67 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 1l2a s VAL 83 CO 0.10 -0.04 -0.19 0.28 -0.31 0.00 0.00 175.10 174.94 1l2a s THR 84 N -3.14 2.58 0.20 5.32 -1.32 0.13 -1.83 115.64 117.57 1l2a s THR 84 Ca 0.64 -2.10 0.08 0.00 -1.21 0.00 0.00 61.69 59.10 1l2a s THR 84 Cb -0.16 -2.29 -0.05 0.00 -1.51 0.00 0.00 72.50 68.49 1l2a s THR 84 CO 0.55 -0.23 -0.15 0.42 -2.21 0.00 0.00 174.62 173.00 1l2a s THR 85 N -2.00 1.81 0.46 5.08 -4.23 -1.26 -0.85 115.64 114.65 1l2a s THR 85 Ca 0.25 -2.17 0.12 0.00 -1.18 0.00 0.00 61.69 58.71 1l2a s THR 85 Cb -0.07 -2.02 0.24 0.00 1.34 0.00 0.00 72.50 71.99 1l2a s THR 85 CO 0.13 -0.53 2.06 0.77 -0.54 0.00 0.00 174.62 176.51 1l2a h SER 86 N 2.67 0.18 0.16 3.99 4.64 -1.48 -1.58 113.55 122.13 1l2a h SER 86 Ca -0.39 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 60.93 1l2a h SER 86 Cb 1.22 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 1l2a h SER 86 CO 0.60 0.19 -0.26 -0.08 -0.87 0.00 0.00 176.83 176.40 1l2a h GLU 87 N 0.20 -0.48 -0.47 4.77 4.81 -1.91 -1.36 114.58 120.14 1l2a h GLU 87 Ca 0.05 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.41 1l2a h GLU 87 Cb 0.09 0.11 -0.09 0.00 0.63 0.00 0.00 28.75 29.49 1l2a h GLU 87 CO -0.00 -0.32 -0.12 0.00 -0.73 0.00 0.00 179.01 177.84 1l2a h ALA 88 N 0.20 0.31 -0.73 2.92 0.00 -1.68 0.93 119.26 121.22 1l2a h ALA 88 Ca 0.02 0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.22 1l2a h ALA 88 Cb 0.51 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1l2a h ALA 88 CO -0.13 -0.45 0.48 0.74 0.00 0.00 0.00 179.25 179.90 1l2a h PHE 89 N -0.00 0.60 -0.00 0.00 -1.00 -1.11 -0.70 116.94 114.73 1l2a h PHE 89 Ca 0.22 0.02 -0.23 0.00 2.81 0.00 0.00 57.97 60.79 1l2a h PHE 89 Cb 0.34 -0.19 0.01 0.00 3.61 0.00 0.00 35.95 39.72 1l2a h PHE 89 CO -0.40 0.27 -0.96 0.66 -1.61 0.00 0.00 178.31 176.26 1l2a h SER 90 N 0.55 0.61 -0.55 2.17 4.64 0.29 -2.29 113.55 118.97 1l2a h SER 90 Ca 0.34 -0.49 -0.05 0.00 -0.47 0.00 0.00 61.79 61.12 1l2a h SER 90 Cb 0.59 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 1l2a h SER 90 CO -0.12 1.29 0.16 1.88 -0.87 0.00 0.00 176.83 179.17 1l2a h TYR 91 N 0.27 0.94 0.19 4.77 0.05 -0.91 -2.04 116.97 120.22 1l2a h TYR 91 Ca -0.09 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.60 1l2a h TYR 91 Cb 1.60 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 39.07 1l2a h TYR 91 CO 0.07 0.77 -0.09 -0.92 -1.05 0.00 0.00 178.16 176.94 1l2a h TYR 92 N 0.88 -0.23 -0.63 4.88 3.20 -0.64 0.51 116.97 124.94 1l2a h TYR 92 Ca 0.19 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.10 1l2a h TYR 92 Cb 0.29 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 1l2a h TYR 92 CO 0.02 -0.14 0.35 0.28 -1.64 0.00 0.00 178.16 177.03 1l2a h VAL 93 N -0.25 1.00 -0.71 1.81 2.07 -1.43 -1.77 116.25 116.97 1l2a h VAL 93 Ca -0.03 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.34 1l2a h VAL 93 Cb 0.19 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 30.16 1l2a h VAL 93 CO 0.04 0.12 0.38 -0.25 0.02 0.00 0.00 177.57 177.88 1l2a h TRP 94 N 0.67 0.68 0.24 1.57 2.91 -0.82 -0.49 115.95 120.71 1l2a h TRP 94 Ca 0.27 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.31 1l2a h TRP 94 Cb 0.13 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 28.58 1l2a h TRP 94 CO -0.07 0.28 -0.11 1.25 -1.03 0.00 0.00 178.44 178.75 1l2a h LEU 95 N 0.66 -0.27 -1.76 0.65 5.85 -0.10 -1.43 115.31 118.92 1l2a h LEU 95 Ca 0.34 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 1l2a h LEU 95 Cb 0.30 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1l2a h LEU 95 CO -0.23 -0.16 0.13 -0.33 -0.34 0.00 0.00 178.44 177.51 1l2a h GLU 96 N -0.36 0.29 -0.18 1.25 4.39 -1.23 -0.85 114.58 117.88 1l2a h GLU 96 Ca -0.03 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1l2a h GLU 96 Cb 0.27 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1l2a h GLU 96 CO 0.05 0.21 0.04 0.00 -1.16 0.00 0.00 179.01 178.15 1l2a h ALA 97 N 1.85 0.24 -0.85 3.43 0.00 -0.45 -0.78 119.26 122.70 1l2a h ALA 97 Ca 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1l2a h ALA 97 Cb -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1l2a h ALA 97 CO -0.01 -0.10 0.43 1.98 0.00 0.00 0.00 179.25 181.54 1l2a h MET 98 N 0.10 1.22 -0.08 0.00 1.85 -0.89 -1.73 114.93 115.40 1l2a h MET 98 Ca 0.06 -0.17 0.02 0.00 -0.61 0.00 0.00 59.70 59.00 1l2a h MET 98 Cb 0.29 -0.23 -0.02 0.00 0.43 0.00 0.00 31.60 32.07 1l2a h MET 98 CO 0.00 0.92 -0.04 -0.92 -0.40 0.00 0.00 176.91 176.47 1l2a h TYR 99 N 1.21 -0.09 -0.85 1.39 3.20 -1.01 -2.04 116.97 118.78 1l2a h TYR 99 Ca 0.30 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.27 1l2a h TYR 99 Cb 0.09 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.35 1l2a h TYR 99 CO 0.01 -0.06 0.55 0.78 -1.64 0.00 0.00 178.16 177.80 1l2a h GLY 100 N -0.03 1.19 0.94 1.82 0.00 -0.88 -1.07 103.07 105.03 1l2a h GLY 100 Ca 0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1l2a h GLY 100 CO -0.10 0.19 -0.00 -0.57 0.00 0.00 0.00 176.54 176.06 1l2a h ASN 101 N 0.81 -0.00 0.56 0.19 -0.00 -0.75 -0.15 115.58 116.24 1l2a h ASN 101 Ca 0.40 -0.06 0.00 0.00 -0.00 0.00 0.00 56.30 56.63 1l2a h ASN 101 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.76 1l2a h ASN 101 CO -0.16 0.06 -0.39 0.18 -0.00 0.00 0.00 177.43 177.12 1l2a n LEU 102 N -5.06 0.45 0.00 0.34 4.77 -0.82 -4.33 117.00 112.35 1l2a n LEU 102 Ca -0.07 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1l2a n LEU 102 Cb 0.06 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1l2a n LEU 102 CO 0.33 0.11 -0.45 0.41 -1.33 0.00 0.00 177.39 176.46 1l2a n THR 103 N -1.42 0.00 -0.66 -5.08 -1.04 -0.46 -5.04 114.28 100.58 1l2a n THR 103 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1l2a n THR 103 Cb 0.33 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 1l2a n THR 103 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1l2a n GLY 104 N 3.23 0.82 3.62 3.41 0.00 -0.07 -5.04 105.19 111.15 1l2a n GLY 104 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1l2a n GLY 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1l2a s ASN 105 N -2.92 6.30 0.00 1.61 3.04 -1.26 -4.96 114.94 116.75 1l2a s ASN 105 Ca 0.00 0.35 0.08 0.00 0.04 0.00 0.00 52.86 53.32 1l2a s ASN 105 Cb 0.00 -2.21 0.03 0.00 -1.54 0.00 0.00 41.25 37.53 1l2a s ASN 105 CO 0.00 -0.15 0.65 0.79 -3.04 0.00 0.00 177.10 175.34 1l2a n TRP 106 N 5.10 0.00 -0.09 0.43 7.02 -1.26 -3.71 117.44 124.93 1l2a n TRP 106 Ca -0.08 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.55 1l2a n TRP 106 Cb 0.51 0.00 0.55 0.00 -2.42 0.00 0.00 31.31 29.95 1l2a n TRP 106 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1l2a h SER 107 N 1.20 0.28 -0.79 -0.99 4.64 -1.93 -2.40 113.55 113.57 1l2a h SER 107 Ca 0.00 0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.40 1l2a h SER 107 Cb 0.29 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.28 1l2a h SER 107 CO 0.00 0.16 0.51 1.23 -0.87 0.00 0.00 176.83 177.86 1l2a h GLY 108 N 0.31 1.07 0.80 -0.77 0.00 -1.91 -0.77 103.07 101.80 1l2a h GLY 108 Ca 0.30 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 1l2a h GLY 108 CO -0.07 0.23 -0.10 -2.08 0.00 0.00 0.00 176.54 174.51 1l2a h VAL 109 N 0.81 1.31 -0.99 4.60 2.07 -1.68 -1.09 116.25 121.27 1l2a h VAL 109 Ca 0.35 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.73 1l2a h VAL 109 Cb 0.30 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 1l2a h VAL 109 CO -0.12 0.35 0.65 -0.33 0.02 0.00 0.00 177.57 178.14 1l2a h GLU 110 N 0.12 1.22 -0.24 1.57 5.08 -1.43 -2.05 114.58 118.83 1l2a h GLU 110 Ca 0.04 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1l2a h GLU 110 Cb 0.59 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1l2a h GLU 110 CO 0.03 0.81 -0.05 1.15 -1.00 0.00 0.00 179.01 179.95 1l2a h THR 111 N 1.26 1.28 -0.67 1.13 2.02 -0.98 -0.67 112.91 116.27 1l2a h THR 111 Ca 0.39 -1.04 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 1l2a h THR 111 Cb -0.00 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1l2a h THR 111 CO -0.12 0.32 0.26 0.00 0.37 0.00 0.00 175.52 176.35 1l2a h ALA 112 N 0.77 0.88 -0.18 6.16 0.00 -1.01 -1.69 119.26 124.18 1l2a h ALA 112 Ca 0.06 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1l2a h ALA 112 Cb 0.51 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1l2a h ALA 112 CO 0.02 0.51 -0.47 2.35 0.00 0.00 0.00 179.25 181.66 1l2a h TRP 113 N 0.96 0.55 -0.64 0.00 2.91 -1.23 -1.38 115.95 117.13 1l2a h TRP 113 Ca 0.22 -0.17 -0.08 0.00 1.13 0.00 0.00 58.89 59.99 1l2a h TRP 113 Cb 0.23 -0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 28.74 1l2a h TRP 113 CO 0.02 0.84 0.10 -0.22 -1.03 0.00 0.00 178.44 178.14 1l2a h LYS 114 N 0.37 1.05 -0.27 2.65 3.64 -0.70 0.34 116.57 123.64 1l2a h LYS 114 Ca 0.02 -0.27 -0.05 0.00 -1.27 0.00 0.00 60.65 59.08 1l2a h LYS 114 Cb 0.96 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1l2a h LYS 114 CO 0.08 0.97 -0.02 0.28 -2.27 0.00 0.00 179.45 178.49 1l2a h VAL 115 N 0.98 1.27 -0.29 2.00 2.07 -0.99 0.89 116.25 122.19 1l2a h VAL 115 Ca 0.20 -0.98 0.07 0.00 0.82 0.00 0.00 66.70 66.81 1l2a h VAL 115 Cb 0.43 1.36 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 1l2a h VAL 115 CO 0.01 0.31 -0.28 -0.03 0.02 0.00 0.00 177.57 177.60 1l2a h MET 116 N 0.27 -0.26 -0.39 1.57 1.85 -0.98 -1.78 114.93 115.20 1l2a h MET 116 Ca 0.07 0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.13 1l2a h MET 116 Cb 0.46 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.53 1l2a h MET 116 CO 0.02 -0.17 0.03 0.93 -0.40 0.00 0.00 176.91 177.31 1l2a h GLU 117 N -0.27 0.61 0.00 0.39 5.08 -0.69 -1.62 114.58 118.08 1l2a h GLU 117 Ca 0.15 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1l2a h GLU 117 Cb 0.50 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1l2a h GLU 117 CO -0.44 0.61 -0.27 -0.44 -1.00 0.00 0.00 179.01 177.47 1l2a h ASP 118 N 0.58 0.00 0.00 1.42 3.32 -0.28 -3.41 116.42 118.06 1l2a h ASP 118 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1l2a h ASP 118 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1l2a h ASP 118 CO 0.01 0.27 -0.47 0.79 -1.72 0.00 0.00 179.24 178.11 1l2a n TRP 119 N -3.38 -0.19 0.88 4.55 7.02 -0.72 -4.94 117.44 120.66 1l2a n TRP 119 Ca 0.00 0.03 0.10 0.00 -1.02 0.00 0.00 57.50 56.62 1l2a n TRP 119 Cb 0.48 0.09 -0.12 0.00 -2.42 0.00 0.00 31.31 29.34 1l2a n TRP 119 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18 1l2a n ILE 120 N -3.17 0.00 -3.41 -0.99 3.06 -0.63 -4.73 119.36 109.49 1l2a n ILE 120 Ca 0.00 -0.06 -0.41 0.00 -2.50 0.00 0.00 62.75 59.78 1l2a n ILE 120 Cb 0.24 0.87 -0.09 0.00 0.54 0.00 0.00 39.64 41.19 1l2a n ILE 120 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1l2a s ILE 121 N -3.06 5.17 0.22 9.51 1.01 -1.15 -1.64 121.20 131.27 1l2a s ILE 121 Ca 0.06 0.01 -0.31 0.00 0.00 0.00 0.00 60.65 60.41 1l2a s ILE 121 Cb 0.16 -3.82 -0.11 0.00 0.01 0.00 0.00 42.46 38.69 1l2a s ILE 121 CO 0.87 -0.10 1.64 -2.84 0.00 0.00 0.00 174.94 174.51 1l2a s PRO 122 N 2.00 4.15 0.38 2.79 0.02 -1.26 -4.84 135.00 138.25 1l2a s PRO 122 Ca 0.11 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.66 1l2a s PRO 122 Cb -0.17 -3.08 0.08 0.00 0.02 0.00 0.00 34.50 31.35 1l2a s PRO 122 CO 0.12 -0.67 0.52 -0.40 -0.33 0.00 0.00 177.00 176.24 1l2a n ASP 123 N 3.49 0.72 -0.32 2.53 3.85 -1.26 -4.88 116.55 120.67 1l2a n ASP 123 Ca 0.13 -1.60 0.14 0.00 -0.71 0.00 0.00 54.79 52.75 1l2a n ASP 123 Cb 0.37 -0.34 0.33 0.00 -1.35 0.00 0.00 41.12 40.13 1l2a n ASP 123 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1l2a h SER 124 N -0.31 0.52 1.00 -1.12 0.02 -1.94 -0.85 113.55 110.88 1l2a h SER 124 Ca -0.17 0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1l2a h SER 124 Cb 0.64 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 1l2a h SER 124 CO 0.19 0.08 -0.11 0.74 -1.14 0.00 0.00 176.83 176.59 1l2a h THR 125 N 0.52 0.28 -0.35 -2.27 2.02 -2.02 -3.11 112.91 108.00 1l2a h THR 125 Ca 0.59 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1l2a h THR 125 Cb 1.08 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1l2a h THR 125 CO -0.48 0.11 0.00 -0.62 0.37 0.00 0.00 175.52 174.90 1l2a n GLU 126 N -3.25 2.33 -2.61 6.66 1.02 -0.33 -4.39 120.64 120.07 1l2a n GLU 126 Ca 0.00 -2.14 -0.19 0.00 -0.02 0.00 0.00 57.16 54.81 1l2a n GLU 126 Cb 0.37 -1.45 0.01 0.00 -0.02 0.00 0.00 31.44 30.35 1l2a n GLU 126 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1l2a n GLN 127 N 1.28 2.39 -2.14 3.49 6.02 -1.17 -4.89 117.38 122.35 1l2a n GLN 127 Ca 0.17 -3.97 -0.41 0.00 -0.01 0.00 0.00 57.00 52.77 1l2a n GLN 127 Cb 0.55 -1.82 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 1l2a n GLN 127 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1l2a s PRO 128 N -3.32 4.34 0.00 -1.09 0.04 -1.26 -3.01 135.00 130.71 1l2a s PRO 128 Ca 0.39 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1l2a s PRO 128 Cb 0.41 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1l2a s PRO 128 CO -0.09 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.05 1l2a n GLY 129 N 2.27 0.41 0.33 0.56 0.00 -1.26 -4.52 105.19 102.99 1l2a n GLY 129 Ca 0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.25 1l2a n GLY 129 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1l2a h MET 130 N 4.58 0.00 0.00 1.61 2.86 -1.83 -0.17 114.93 121.99 1l2a h MET 130 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1l2a h MET 130 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1l2a h MET 130 CO 0.00 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.84 1l2a n SER 131 N -4.04 0.00 -0.03 1.22 3.41 -1.26 -2.19 113.62 110.72 1l2a n SER 131 Ca 0.03 0.08 0.14 0.00 -0.26 0.00 0.00 58.87 58.86 1l2a n SER 131 Cb 0.35 -0.34 0.58 0.00 -0.26 0.00 0.00 64.21 64.54 1l2a n SER 131 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1l2a n SER 132 N -1.34 0.22 -4.74 4.04 7.64 -0.07 -4.94 113.62 114.43 1l2a n SER 132 Ca 0.10 -0.06 -0.40 0.00 1.01 0.00 0.00 58.87 59.52 1l2a n SER 132 Cb 0.22 -0.21 0.02 0.00 -1.01 0.00 0.00 64.21 63.23 1l2a n SER 132 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1l2a n TYR 133 N -1.30 2.48 -3.92 1.43 9.36 -0.93 -4.56 117.16 119.73 1l2a n TYR 133 Ca 0.10 0.46 -0.30 0.00 3.32 0.00 0.00 57.90 61.48 1l2a n TYR 133 Cb 0.30 -2.43 -0.15 0.00 -0.63 0.00 0.00 39.34 36.43 1l2a n TYR 133 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1l2a s ASN 134 N -0.49 4.21 0.59 2.98 3.84 -1.26 -4.99 114.94 119.82 1l2a s ASN 134 Ca 0.61 -1.61 0.32 0.00 0.21 0.00 0.00 52.86 52.39 1l2a s ASN 134 Cb -0.47 -1.26 1.83 0.00 -0.55 0.00 0.00 41.25 40.80 1l2a s ASN 134 CO 0.58 -0.32 2.23 -0.65 -2.79 0.00 0.00 177.10 176.14 1l2a h PRO 135 N 7.87 0.00 -0.01 0.43 0.11 -1.94 0.87 132.00 139.34 1l2a h PRO 135 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1l2a h PRO 135 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1l2a h PRO 135 CO 0.46 0.03 -0.05 0.09 -0.21 0.00 0.00 178.00 178.32 1l2a n ASN 136 N -3.66 0.57 -2.94 -2.05 3.02 -1.26 -0.54 115.26 108.40 1l2a n ASN 136 Ca -0.03 -0.92 -0.14 0.00 -0.03 0.00 0.00 54.58 53.47 1l2a n ASN 136 Cb 0.12 -0.04 0.02 0.00 -0.61 0.00 0.00 39.78 39.27 1l2a n ASN 136 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1l2a n SER 137 N -0.70 -1.26 0.24 6.41 2.88 0.30 -4.81 113.62 116.67 1l2a n SER 137 Ca 0.18 -3.22 0.10 0.00 -1.33 0.00 0.00 58.87 54.61 1l2a n SER 137 Cb 0.25 0.78 0.62 0.00 -0.75 0.00 0.00 64.21 65.10 1l2a n SER 137 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1l2a h PRO 138 N 3.51 0.00 -2.00 -1.46 0.13 -1.58 -3.41 132.00 127.19 1l2a h PRO 138 Ca -0.03 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.37 1l2a h PRO 138 Cb 1.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.05 1l2a h PRO 138 CO 0.34 0.18 0.73 0.00 -0.23 0.00 0.00 178.00 179.02 1l2a s ALA 139 N -4.15 -2.05 -0.16 -0.56 0.00 -1.26 -0.89 121.76 112.70 1l2a s ALA 139 Ca -0.02 0.21 -0.05 0.00 0.00 0.00 0.00 51.96 52.09 1l2a s ALA 139 Cb 0.13 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1l2a s ALA 139 CO 0.62 -1.08 0.01 0.99 0.00 0.00 0.00 175.76 176.30 1l2a s THR 140 N -2.41 4.30 0.40 0.00 2.01 -1.26 -4.83 115.64 113.84 1l2a s THR 140 Ca 0.19 -0.22 -0.27 0.00 0.31 0.00 0.00 61.69 61.71 1l2a s THR 140 Cb 0.01 -2.90 -0.10 0.00 0.01 0.00 0.00 72.50 69.52 1l2a s THR 140 CO -0.00 0.49 1.40 0.00 -0.69 0.00 0.00 174.62 175.82 1l2a n TYR 141 N 3.37 2.62 -3.81 4.92 9.36 -1.26 -4.78 117.16 127.58 1l2a n TYR 141 Ca -0.17 0.47 -0.12 0.00 3.32 0.00 0.00 57.90 61.40 1l2a n TYR 141 Cb 0.52 -2.46 -0.10 0.00 -0.63 0.00 0.00 39.34 36.68 1l2a n TYR 141 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1l2a s ALA 142 N -1.15 -0.58 0.49 2.98 0.00 -1.26 -0.24 121.76 122.01 1l2a s ALA 142 Ca 0.57 0.25 -0.22 0.00 0.00 0.00 0.00 51.96 52.57 1l2a s ALA 142 Cb -0.49 -0.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.53 1l2a s ALA 142 CO 0.61 -0.21 1.15 -0.51 0.00 0.00 0.00 175.76 176.80 1l2a s ASP 143 N -0.99 5.97 0.20 0.00 1.01 -1.26 -4.98 116.67 116.62 1l2a s ASP 143 Ca -0.11 2.26 -0.06 0.00 0.71 0.00 0.00 52.55 55.36 1l2a s ASP 143 Cb -0.05 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.22 1l2a s ASP 143 CO 0.02 -1.05 0.46 -1.61 0.21 0.00 0.00 175.17 173.20 1l2a s GLU 144 N -2.93 3.67 0.23 8.23 2.02 -0.97 -4.86 118.70 124.09 1l2a s GLU 144 Ca 0.67 0.03 0.06 0.00 0.02 0.00 0.00 54.97 55.75 1l2a s GLU 144 Cb -0.27 -2.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.16 1l2a s GLU 144 CO 0.32 0.38 -0.07 0.71 0.02 0.00 0.00 175.26 176.62 1l2a s TYR 145 N -1.79 1.68 -0.95 1.61 1.51 -1.26 -4.64 117.35 113.51 1l2a s TYR 145 Ca 0.43 -0.75 0.24 0.00 -1.01 0.00 0.00 57.07 55.98 1l2a s TYR 145 Cb -0.12 -0.92 0.98 0.00 -0.11 0.00 0.00 41.96 41.80 1l2a s TYR 145 CO 0.25 0.17 1.75 0.39 -1.11 0.00 0.00 175.55 176.99 1l2a n GLU 146 N -0.44 0.03 -3.70 -0.62 4.71 -1.26 -4.07 120.64 115.29 1l2a n GLU 146 Ca -0.07 0.12 -0.14 0.00 -0.01 0.00 0.00 57.16 57.07 1l2a n GLU 146 Cb 0.62 -1.54 -0.09 0.00 -1.01 0.00 0.00 31.44 29.42 1l2a n GLU 146 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1l2a s ASP 147 N -3.18 -0.51 0.58 1.62 2.15 -1.26 -4.32 116.67 111.74 1l2a s ASP 147 Ca 0.11 0.96 0.28 0.00 0.43 0.00 0.00 52.55 54.32 1l2a s ASP 147 Cb 0.15 0.97 1.58 0.00 -0.30 0.00 0.00 42.92 45.32 1l2a s ASP 147 CO 0.44 -0.21 2.06 -0.65 -0.17 0.00 0.00 175.17 176.64 1l2a h PRO 148 N 5.18 0.00 0.00 4.34 0.11 -1.85 -2.04 132.00 137.74 1l2a h PRO 148 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1l2a h PRO 148 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1l2a h PRO 148 CO 0.21 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.87 1l2a n SER 149 N -3.90 0.24 0.18 -2.05 3.41 -1.26 -1.76 113.62 108.48 1l2a n SER 149 Ca 0.03 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 1l2a n SER 149 Cb 0.40 -0.62 0.30 0.00 -0.26 0.00 0.00 64.21 64.03 1l2a n SER 149 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1l2a h TYR 150 N 0.00 0.00 -3.41 7.33 -1.99 -1.77 -3.47 116.97 113.66 1l2a h TYR 150 Ca 0.00 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.19 1l2a h TYR 150 Cb 0.14 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.84 1l2a h TYR 150 CO 0.00 0.00 -0.12 0.71 -0.00 0.00 0.00 178.16 178.75 1l2a s TYR 151 N -3.21 3.45 0.53 4.88 1.51 -0.72 -4.49 117.35 119.30 1l2a s TYR 151 Ca 0.08 0.88 -0.20 0.00 -1.01 0.00 0.00 57.07 56.82 1l2a s TYR 151 Cb 0.08 -2.26 -0.06 0.00 -0.11 0.00 0.00 41.96 39.61 1l2a s TYR 151 CO 0.62 0.30 1.16 -1.25 -1.11 0.00 0.00 175.55 175.27 1l2a s PRO 152 N -2.70 3.38 -0.14 -1.71 0.04 -1.17 -4.77 135.00 127.92 1l2a s PRO 152 Ca 0.46 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 63.03 1l2a s PRO 152 Cb -0.12 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1l2a s PRO 152 CO 0.21 -0.85 0.43 0.45 0.04 0.00 0.00 177.00 177.28 1l2a s SER 153 N -1.62 6.60 -0.06 6.66 0.15 -0.56 -4.64 113.70 120.22 1l2a s SER 153 Ca 0.71 0.71 -0.30 0.00 0.70 0.00 0.00 55.95 57.77 1l2a s SER 153 Cb -0.26 -2.26 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 1l2a s SER 153 CO 0.30 0.00 1.12 -0.70 1.20 0.00 0.00 173.24 175.16 1l2a s GLU 154 N 0.72 4.39 0.25 5.44 2.12 -1.26 -0.68 118.70 129.68 1l2a s GLU 154 Ca 0.23 1.56 -0.31 0.00 0.36 0.00 0.00 54.97 56.81 1l2a s GLU 154 Cb -0.15 -3.53 -0.11 0.00 0.26 0.00 0.00 34.13 30.60 1l2a s GLU 154 CO 0.08 -0.37 1.59 -0.51 -0.54 0.00 0.00 175.26 175.51 1l2a s LEU 155 N 2.01 4.36 -0.79 2.70 1.43 -0.38 -4.43 118.68 123.59 1l2a s LEU 155 Ca 0.53 2.82 -0.03 0.00 -1.03 0.00 0.00 54.13 56.42 1l2a s LEU 155 Cb -0.22 -3.62 0.20 0.00 0.03 0.00 0.00 46.19 42.58 1l2a s LEU 155 CO 0.21 -0.87 0.65 -0.54 0.23 0.00 0.00 176.35 176.04 1l2a s LYS 156 N 0.14 3.05 0.23 1.70 1.02 0.67 -4.93 119.74 121.62 1l2a s LYS 156 Ca 0.66 -2.92 -0.03 0.00 0.02 0.00 0.00 55.97 53.70 1l2a s LYS 156 Cb -0.46 -3.92 0.22 0.00 -0.52 0.00 0.00 37.83 33.15 1l2a s LYS 156 CO 0.41 -1.23 1.63 0.74 -0.92 0.00 0.00 175.35 175.98 1l2a h PHE 157 N 6.57 0.79 -0.01 3.18 -1.00 -1.91 -3.34 116.94 121.21 1l2a h PHE 157 Ca 0.09 -0.19 0.00 0.00 2.81 0.00 0.00 57.97 60.68 1l2a h PHE 157 Cb 0.89 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.26 1l2a h PHE 157 CO 0.75 0.88 -0.13 -0.25 -1.61 0.00 0.00 178.31 177.95 1l2a n ASP 158 N -4.10 1.24 -0.00 2.17 8.00 -1.26 -4.72 116.55 117.89 1l2a n ASP 158 Ca -0.00 -1.12 0.02 0.00 0.71 0.00 0.00 54.79 54.40 1l2a n ASP 158 Cb 0.45 0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 41.88 1l2a n ASP 158 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1l2a n THR 159 N -0.11 0.00 -3.71 -3.53 5.66 -1.25 -4.90 114.28 106.43 1l2a n THR 159 Ca 0.04 -0.37 -0.28 0.00 -3.05 0.00 0.00 64.05 60.39 1l2a n THR 159 Cb 0.19 0.95 -0.16 0.00 -1.55 0.00 0.00 70.33 69.76 1l2a n THR 159 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1l2a s VAL 160 N -1.50 0.54 0.16 1.08 1.01 -1.25 -5.10 120.40 115.33 1l2a s VAL 160 Ca 0.01 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 1l2a s VAL 160 Cb 0.03 -1.17 -0.07 0.00 0.00 0.00 0.00 36.38 35.17 1l2a s VAL 160 CO 0.19 -0.37 0.94 -0.60 0.00 0.00 0.00 175.10 175.26 1l2a s ARG 161 N 1.83 4.76 0.09 2.72 3.52 -1.26 -4.64 118.95 125.96 1l2a s ARG 161 Ca 0.02 1.45 0.04 0.00 -0.13 0.00 0.00 55.73 57.11 1l2a s ARG 161 Cb -0.17 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 1l2a s ARG 161 CO -0.15 0.35 0.04 0.08 -0.81 0.00 0.00 175.30 174.81 1l2a s VAL 162 N -0.52 4.25 0.09 7.11 1.01 -1.26 -4.48 120.40 126.60 1l2a s VAL 162 Ca 0.44 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1l2a s VAL 162 Cb -0.24 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1l2a s VAL 162 CO 0.30 0.12 0.09 0.61 0.00 0.00 0.00 175.10 176.22 1l2a n GLY 163 N 0.51 -2.09 3.65 4.51 0.00 -0.38 -4.85 105.19 106.54 1l2a n GLY 163 Ca -0.10 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 1l2a n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l2a s SER 164 N -1.62 4.71 -0.39 1.61 0.01 -0.38 -4.47 113.70 113.17 1l2a s SER 164 Ca 0.05 -0.36 -0.14 0.00 1.31 0.00 0.00 55.95 56.81 1l2a s SER 164 Cb -0.00 -1.00 0.01 0.00 0.21 0.00 0.00 66.02 65.24 1l2a s SER 164 CO 0.04 0.12 0.27 -0.62 0.41 0.00 0.00 173.24 173.46 1l2a s ASP 165 N -2.66 6.02 0.00 2.44 -1.08 0.30 -4.74 116.67 116.95 1l2a s ASP 165 Ca 0.26 -0.80 0.25 0.00 -0.52 0.00 0.00 52.55 51.73 1l2a s ASP 165 Cb -0.10 -2.13 0.74 0.00 -1.46 0.00 0.00 42.92 39.97 1l2a s ASP 165 CO 0.17 -0.39 1.56 -0.81 0.52 0.00 0.00 175.17 176.23 1l2a n PRO 166 N 5.12 1.90 -0.01 4.34 -0.04 -1.26 -4.13 135.00 140.92 1l2a n PRO 166 Ca -0.12 -1.33 0.01 0.00 -0.04 0.00 0.00 63.50 62.03 1l2a n PRO 166 Cb 0.47 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 1l2a n PRO 166 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1l2a n VAL 167 N 0.59 0.08 0.01 0.52 0.31 -1.26 -4.74 118.33 113.84 1l2a n VAL 167 Ca 0.17 -0.11 -0.10 0.00 -0.01 0.00 0.00 64.34 64.29 1l2a n VAL 167 Cb 0.43 0.02 -0.04 0.00 -0.91 0.00 0.00 33.84 33.33 1l2a n VAL 167 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1l2a h HIS 168 N 0.00 -0.16 -0.25 3.52 6.17 -2.00 -2.33 115.15 120.10 1l2a h HIS 168 Ca -0.03 0.01 -0.07 0.00 0.71 0.00 0.00 60.37 60.99 1l2a h HIS 168 Cb 0.50 0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.50 1l2a h HIS 168 CO 0.00 -0.11 -0.15 -0.91 0.71 0.00 0.00 177.93 177.48 1l2a h ASN 169 N -0.08 0.41 -0.85 3.26 2.35 -1.85 -0.89 115.58 117.92 1l2a h ASN 169 Ca 0.06 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1l2a h ASN 169 Cb 0.16 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.37 1l2a h ASN 169 CO -0.13 0.58 0.55 -0.78 -1.65 0.00 0.00 177.43 176.00 1l2a h ASP 170 N 0.39 0.92 -0.07 5.81 3.58 -1.79 -2.28 116.42 122.98 1l2a h ASP 170 Ca 0.07 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 1l2a h ASP 170 Cb 0.49 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 1l2a h ASP 170 CO 0.03 0.63 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.86 1l2a h LEU 171 N 1.08 0.20 -0.75 2.28 3.38 -0.83 -3.17 115.31 117.50 1l2a h LEU 171 Ca 0.34 -0.53 0.12 0.00 0.09 0.00 0.00 57.88 57.91 1l2a h LEU 171 Cb -0.01 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.60 1l2a h LEU 171 CO -0.11 0.68 0.33 0.58 0.09 0.00 0.00 178.44 180.02 1l2a h VAL 172 N -0.29 0.73 0.00 1.22 2.07 -1.14 0.13 116.25 118.98 1l2a h VAL 172 Ca 0.01 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1l2a h VAL 172 Cb 0.64 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1l2a h VAL 172 CO 0.02 0.09 0.00 0.77 0.02 0.00 0.00 177.57 178.48 1l2a h SER 173 N 0.52 0.00 0.23 0.57 4.64 -1.46 0.20 113.55 118.25 1l2a h SER 173 Ca 0.39 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.38 1l2a h SER 173 Cb 0.53 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1l2a h SER 173 CO -0.35 0.00 -1.52 0.00 -0.87 0.00 0.00 176.83 174.09 1l2a h ALA 174 N 2.07 -0.08 0.00 5.18 0.00 -1.37 -3.44 119.26 121.62 1l2a h ALA 174 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1l2a h ALA 174 Cb 0.75 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1l2a h ALA 174 CO 0.00 0.76 0.00 0.66 0.00 0.00 0.00 179.25 180.67 1l2a n TYR 175 N -3.71 0.00 -1.91 0.00 4.01 0.39 -4.98 117.16 110.96 1l2a n TYR 175 Ca -0.19 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1l2a n TYR 175 Cb 1.08 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.11 1l2a n TYR 175 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1l2a n GLY 176 N -0.07 -2.27 0.25 2.72 0.00 0.69 -4.67 105.19 101.84 1l2a n GLY 176 Ca 0.00 -1.65 0.15 0.00 0.00 0.00 0.00 46.02 44.51 1l2a n GLY 176 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l2a h PRO 177 N 0.00 0.00 -6.71 1.61 0.13 -1.94 -3.35 132.00 121.74 1l2a h PRO 177 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.69 1l2a h PRO 177 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 1l2a h PRO 177 CO 0.00 0.01 -0.11 -0.80 -0.23 0.00 0.00 178.00 176.88 1l2a s ASN 178 N -5.93 5.48 -0.01 1.44 0.01 -1.26 -4.63 114.94 110.05 1l2a s ASN 178 Ca 0.04 -0.05 -0.15 0.00 -0.71 0.00 0.00 52.86 51.98 1l2a s ASN 178 Cb 0.07 -0.96 -0.06 0.00 0.41 0.00 0.00 41.25 40.72 1l2a s ASN 178 CO 0.60 -0.96 0.41 -0.32 -1.51 0.00 0.00 177.10 175.33 1l2a s MET 179 N -4.61 3.96 -0.75 -0.60 1.75 -1.26 -4.99 119.30 112.79 1l2a s MET 179 Ca 0.55 0.41 0.01 0.00 -1.25 0.00 0.00 55.69 55.41 1l2a s MET 179 Cb -0.10 -3.24 0.18 0.00 2.84 0.00 0.00 34.83 34.51 1l2a s MET 179 CO 0.37 0.64 0.57 -0.47 -0.65 0.00 0.00 175.02 175.49 1l2a s TYR 180 N -0.93 3.64 0.11 4.11 5.04 -1.26 -4.85 117.35 123.21 1l2a s TYR 180 Ca 0.24 -3.12 -0.13 0.00 -2.44 0.00 0.00 57.07 51.62 1l2a s TYR 180 Cb -0.17 -2.99 0.02 0.00 0.35 0.00 0.00 41.96 39.17 1l2a s TYR 180 CO 0.13 -0.68 0.30 -0.51 -1.34 0.00 0.00 175.55 173.46 1l2a s LEU 181 N -1.11 0.87 -0.12 6.97 1.43 -1.26 -4.57 118.68 120.89 1l2a s LEU 181 Ca 0.24 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.65 1l2a s LEU 181 Cb -0.10 1.47 -0.04 0.00 0.03 0.00 0.00 46.19 47.55 1l2a s LEU 181 CO -0.12 -0.80 0.57 -0.04 0.23 0.00 0.00 176.35 176.20 1l2a s MET 182 N -3.84 4.35 0.53 1.70 -1.94 -1.26 -4.22 119.30 114.62 1l2a s MET 182 Ca 0.04 0.61 -0.21 0.00 -1.71 0.00 0.00 55.69 54.43 1l2a s MET 182 Cb 0.03 -3.46 -0.06 0.00 2.01 0.00 0.00 34.83 33.35 1l2a s MET 182 CO -0.11 0.06 1.20 -1.58 -0.01 0.00 0.00 175.02 174.58 1l2a s HIS 183 N 0.90 2.61 -0.25 -0.03 2.46 -0.65 -3.93 115.29 116.40 1l2a s HIS 183 Ca 0.30 1.51 0.19 0.00 0.47 0.00 0.00 55.06 57.53 1l2a s HIS 183 Cb -0.16 -3.45 0.10 0.00 -0.13 0.00 0.00 32.58 28.94 1l2a s HIS 183 CO 0.13 -1.93 1.32 0.11 -2.47 0.00 0.00 174.74 171.90 1l2a h TRP 184 N 1.46 0.00 -3.50 3.88 5.08 -1.61 -3.39 115.95 117.87 1l2a h TRP 184 Ca -0.50 0.00 -0.32 0.00 1.08 0.00 0.00 58.89 59.15 1l2a h TRP 184 Cb 1.27 0.00 -0.34 0.00 -3.00 0.00 0.00 29.16 27.09 1l2a h TRP 184 CO 0.50 0.28 -0.74 -1.17 -1.28 0.00 0.00 178.44 176.03 1l2a s LEU 185 N -6.08 1.06 -0.02 0.11 2.96 -1.26 -1.54 118.68 113.91 1l2a s LEU 185 Ca 0.03 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 1l2a s LEU 185 Cb 0.07 -0.13 0.00 0.00 0.50 0.00 0.00 46.19 46.64 1l2a s LEU 185 CO 0.74 -0.13 -0.06 -0.32 -1.32 0.00 0.00 176.35 175.27 1l2a s MET 186 N 1.11 0.62 -1.06 1.98 1.75 -0.03 -2.95 119.30 120.72 1l2a s MET 186 Ca -0.09 -0.19 -0.18 0.00 -1.25 0.00 0.00 55.69 53.98 1l2a s MET 186 Cb -0.13 -0.61 0.11 0.00 2.84 0.00 0.00 34.83 37.04 1l2a s MET 186 CO -0.03 0.07 1.35 0.34 -0.65 0.00 0.00 175.02 176.10 1l2a s ASP 187 N 0.20 6.73 0.27 1.11 2.15 0.11 0.18 116.67 127.42 1l2a s ASP 187 Ca -0.02 -2.18 -0.01 0.00 0.43 0.00 0.00 52.55 50.77 1l2a s ASP 187 Cb -0.07 -2.46 0.51 0.00 -0.30 0.00 0.00 42.92 40.61 1l2a s ASP 187 CO -0.00 -1.11 1.80 0.58 -0.17 0.00 0.00 175.17 176.27 1l2a h VAL 188 N 5.76 0.84 -0.19 1.11 2.07 -1.82 -1.60 116.25 122.42 1l2a h VAL 188 Ca 0.24 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1l2a h VAL 188 Cb 0.97 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1l2a h VAL 188 CO 1.26 0.14 0.00 0.47 0.02 0.00 0.00 177.57 179.46 1l2a n ASP 189 N -4.75 3.05 -3.57 0.57 8.00 -1.26 -2.44 116.55 116.15 1l2a n ASP 189 Ca 0.17 -2.65 -0.23 0.00 0.71 0.00 0.00 54.79 52.78 1l2a n ASP 189 Cb 0.37 -0.37 0.08 0.00 -0.02 0.00 0.00 41.12 41.19 1l2a n ASP 189 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1l2a n ASN 190 N -0.48 -6.16 -0.26 -2.24 5.15 -0.64 -4.66 115.26 105.97 1l2a n ASN 190 Ca 0.15 -0.54 0.14 0.00 -0.60 0.00 0.00 54.58 53.72 1l2a n ASN 190 Cb 0.64 -5.02 0.41 0.00 -0.53 0.00 0.00 39.78 35.28 1l2a n ASN 190 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 1l2a h TRP 191 N -2.66 0.76 0.00 1.20 7.01 -1.93 -1.80 115.95 118.53 1l2a h TRP 191 Ca -0.57 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.45 1l2a h TRP 191 Cb 1.37 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 28.19 1l2a h TRP 191 CO 0.49 0.26 -0.06 1.88 -2.79 0.00 0.00 178.44 178.23 1l2a h TYR 192 N 0.62 0.00 -0.02 2.65 0.05 -1.94 -3.48 116.97 114.86 1l2a h TYR 192 Ca 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.23 1l2a h TYR 192 Cb 0.83 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.57 1l2a h TYR 192 CO -0.00 0.00 -0.01 0.41 -1.05 0.00 0.00 178.16 177.51 1l2a n GLY 193 N 1.19 0.45 0.18 3.88 0.00 -0.68 -4.34 105.19 105.89 1l2a n GLY 193 Ca 0.04 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 1l2a n GLY 193 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1l2a h PHE 194 N 0.00 0.40 -3.75 1.61 0.04 -1.92 -3.45 116.94 109.87 1l2a h PHE 194 Ca -0.01 -0.14 -0.22 0.00 2.80 0.00 0.00 57.97 60.40 1l2a h PHE 194 Cb 0.03 -0.08 0.06 0.00 2.20 0.00 0.00 35.95 38.17 1l2a h PHE 194 CO 0.02 0.80 0.12 0.41 -0.60 0.00 0.00 178.31 179.06 1l2a n GLY 195 N 0.18 -0.13 3.83 -1.45 0.00 -1.26 -5.02 105.19 101.33 1l2a n GLY 195 Ca -0.02 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 1l2a n GLY 195 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l2a s THR 196 N -1.80 4.83 0.00 2.61 2.01 -1.26 -4.90 115.64 117.13 1l2a s THR 196 Ca 0.34 1.02 0.00 0.00 0.31 0.00 0.00 61.69 63.36 1l2a s THR 196 Cb -0.01 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.69 1l2a s THR 196 CO 0.23 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.23 1l2a n GLY 197 N 1.43 0.90 0.00 4.40 0.00 -1.26 -1.45 105.19 109.21 1l2a n GLY 197 Ca -0.09 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1l2a n GLY 197 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1l2a n THR 198 N 0.00 0.18 -2.04 2.61 -1.04 -1.26 -4.87 114.28 107.86 1l2a n THR 198 Ca 0.00 -0.20 -0.41 0.00 -2.04 0.00 0.00 64.05 61.40 1l2a n THR 198 Cb 0.00 1.01 -0.02 0.00 -1.82 0.00 0.00 70.33 69.50 1l2a n THR 198 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1l2a s ARG 199 N -0.18 4.29 0.09 -2.82 0.52 -0.53 -4.17 118.95 116.15 1l2a s ARG 199 Ca 0.00 2.27 -0.34 0.00 -0.52 0.00 0.00 55.73 57.14 1l2a s ARG 199 Cb 0.00 -3.11 -0.14 0.00 0.52 0.00 0.00 34.95 32.23 1l2a s ARG 199 CO 0.00 -0.37 1.64 0.00 0.02 0.00 0.00 175.30 176.58 1l2a n ALA 200 N 2.08 1.10 -3.66 2.13 0.00 -1.02 -4.00 120.51 117.13 1l2a n ALA 200 Ca 0.05 0.41 -0.23 0.00 0.00 0.00 0.00 53.44 53.67 1l2a n ALA 200 Cb 0.41 -2.37 -0.17 0.00 0.00 0.00 0.00 19.45 17.32 1l2a n ALA 200 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1l2a s THR 201 N 1.65 0.81 0.06 0.00 2.01 -0.94 -4.97 115.64 114.25 1l2a s THR 201 Ca 0.83 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 1l2a s THR 201 Cb -0.70 -0.81 -0.09 0.00 0.01 0.00 0.00 72.50 70.91 1l2a s THR 201 CO 0.42 0.30 1.81 -0.36 -0.69 0.00 0.00 174.62 176.10 1l2a s PHE 202 N 1.16 1.90 0.30 4.92 2.99 -1.26 0.06 117.98 128.05 1l2a s PHE 202 Ca -0.06 -0.06 0.04 0.00 0.00 0.00 0.00 56.93 56.85 1l2a s PHE 202 Cb -0.14 -4.11 -0.06 0.00 0.00 0.00 0.00 43.02 38.71 1l2a s PHE 202 CO -0.01 -4.72 0.04 0.96 -0.00 0.00 0.00 175.22 171.49 1l2a s ILE 203 N 3.46 1.14 0.11 0.64 -4.36 -1.15 -1.51 121.20 119.52 1l2a s ILE 203 Ca 0.81 -2.02 -0.06 0.00 -0.26 0.00 0.00 60.65 59.12 1l2a s ILE 203 Cb -0.42 -2.68 -0.02 0.00 1.25 0.00 0.00 42.46 40.60 1l2a s ILE 203 CO 0.36 -0.08 0.16 0.21 0.24 0.00 0.00 174.94 175.83 1l2a s ASN 204 N -3.44 0.19 0.00 4.36 2.47 -0.04 -4.53 114.94 113.96 1l2a s ASN 204 Ca 0.35 -0.88 0.00 0.00 0.42 0.00 0.00 52.86 52.75 1l2a s ASN 204 Cb 0.08 0.34 0.00 0.00 -1.45 0.00 0.00 41.25 40.22 1l2a s ASN 204 CO 0.14 -0.76 0.00 0.35 -3.72 0.00 0.00 177.10 173.11 1l2a n THR 205 N -0.09 0.00 -1.65 -5.21 -2.24 -1.26 -1.73 114.28 102.10 1l2a n THR 205 Ca -0.11 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.20 1l2a n THR 205 Cb 0.63 -0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.51 1l2a n THR 205 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1l2a n PHE 206 N -1.60 2.02 -0.20 4.78 3.72 -1.26 -4.50 117.46 120.42 1l2a n PHE 206 Ca 0.00 0.42 0.00 0.00 -0.05 0.00 0.00 57.45 57.82 1l2a n PHE 206 Cb 0.00 -2.46 0.00 0.00 -0.94 0.00 0.00 39.48 36.08 1l2a n PHE 206 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1l2a n GLN 207 N 2.66 1.87 -2.18 -1.08 1.13 -1.26 -5.03 117.38 113.49 1l2a n GLN 207 Ca 0.15 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.95 1l2a n GLN 207 Cb 0.28 -0.16 0.02 0.00 0.11 0.00 0.00 30.24 30.49 1l2a n GLN 207 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1l2a n ARG 208 N 0.00 3.44 -0.07 -1.09 1.74 -1.26 -5.04 116.66 114.38 1l2a n ARG 208 Ca 0.00 -4.24 0.01 0.00 -0.77 0.00 0.00 57.85 52.85 1l2a n ARG 208 Cb 0.00 -2.27 -0.00 0.00 -1.02 0.00 0.00 32.46 29.17 1l2a n ARG 208 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1l2a n GLY 209 N -0.61 -1.96 0.33 -0.13 0.00 -1.26 -3.99 105.19 97.56 1l2a n GLY 209 Ca 0.43 -1.37 0.21 0.00 0.00 0.00 0.00 46.02 45.29 1l2a n GLY 209 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1l2a h GLU 210 N 0.00 0.00 -0.51 1.61 4.11 -1.71 -1.60 114.58 116.48 1l2a h GLU 210 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1l2a h GLU 210 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1l2a h GLU 210 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.13 1l2a n GLN 211 N -3.16 3.01 -3.03 1.06 1.13 -1.26 -0.62 117.38 114.52 1l2a n GLN 211 Ca -0.02 -2.48 -0.44 0.00 -1.94 0.00 0.00 57.00 52.12 1l2a n GLN 211 Cb 0.11 -1.54 -0.04 0.00 0.11 0.00 0.00 30.24 28.89 1l2a n GLN 211 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1l2a s GLU 212 N -1.34 3.21 0.90 -1.09 2.12 -0.60 -4.72 118.70 117.18 1l2a s GLU 212 Ca 0.38 -1.38 -0.14 0.00 0.36 0.00 0.00 54.97 54.20 1l2a s GLU 212 Cb 0.22 -4.40 0.14 0.00 0.26 0.00 0.00 34.13 30.36 1l2a s GLU 212 CO 0.22 -1.64 1.23 -1.54 -0.54 0.00 0.00 175.26 172.99 1l2a s SER 213 N 3.53 3.70 0.52 -1.70 1.04 -1.26 -4.89 113.70 114.64 1l2a s SER 213 Ca 0.19 0.59 0.28 0.00 0.48 0.00 0.00 55.95 57.49 1l2a s SER 213 Cb -0.17 -0.90 1.40 0.00 0.10 0.00 0.00 66.02 66.44 1l2a s SER 213 CO 0.03 -2.39 1.91 0.74 0.98 0.00 0.00 173.24 174.50 1l2a h THR 214 N -1.40 0.61 0.00 2.02 2.02 -1.90 0.14 112.91 114.40 1l2a h THR 214 Ca -0.46 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1l2a h THR 214 Cb 1.29 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1l2a h THR 214 CO 0.53 0.01 0.00 0.79 0.37 0.00 0.00 175.52 177.22 1l2a n TRP 215 N -4.33 0.55 0.09 3.16 7.02 -1.26 -3.85 117.44 118.82 1l2a n TRP 215 Ca 0.17 0.18 0.03 0.00 -1.02 0.00 0.00 57.50 56.86 1l2a n TRP 215 Cb 0.85 -0.79 0.06 0.00 -2.42 0.00 0.00 31.31 29.01 1l2a n TRP 215 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1l2a n GLU 216 N -1.96 1.38 -2.03 -0.99 1.02 0.03 -4.56 120.64 113.53 1l2a n GLU 216 Ca 0.05 -1.34 -0.29 0.00 -0.02 0.00 0.00 57.16 55.55 1l2a n GLU 216 Cb 0.33 -1.14 0.04 0.00 -0.02 0.00 0.00 31.44 30.65 1l2a n GLU 216 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1l2a s THR 217 N -0.77 3.53 -0.30 2.62 -4.23 -1.22 -4.60 115.64 110.67 1l2a s THR 217 Ca 0.11 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 60.97 1l2a s THR 217 Cb 0.06 -3.47 0.07 0.00 1.34 0.00 0.00 72.50 70.50 1l2a s THR 217 CO 0.09 -0.58 -0.01 -0.63 -0.54 0.00 0.00 174.62 172.95 1l2a s ILE 218 N -3.26 2.59 0.38 2.99 1.01 -1.26 -5.04 121.20 118.62 1l2a s ILE 218 Ca 0.57 -1.72 -0.28 0.00 0.00 0.00 0.00 60.65 59.22 1l2a s ILE 218 Cb -0.11 -2.61 -0.11 0.00 0.01 0.00 0.00 42.46 39.65 1l2a s ILE 218 CO 0.50 -0.23 1.48 -2.84 0.00 0.00 0.00 174.94 173.85 1l2a s PRO 219 N 1.12 4.08 0.13 2.79 0.02 -1.26 -4.73 135.00 137.15 1l2a s PRO 219 Ca -0.02 2.56 -0.15 0.00 0.02 0.00 0.00 61.00 63.40 1l2a s PRO 219 Cb -0.20 -2.95 0.03 0.00 0.02 0.00 0.00 34.50 31.41 1l2a s PRO 219 CO -0.04 -0.55 0.38 -3.38 -0.33 0.00 0.00 177.00 173.08 1l2a s HIS 220 N -1.13 -0.16 0.24 6.54 -3.43 -0.71 -5.01 115.29 111.63 1l2a s HIS 220 Ca 0.53 -0.17 -0.30 0.00 -0.80 0.00 0.00 55.06 54.32 1l2a s HIS 220 Cb -0.46 0.23 -0.09 0.00 -1.43 0.00 0.00 32.58 30.83 1l2a s HIS 220 CO 0.63 -0.70 1.12 -1.25 -2.00 0.00 0.00 174.74 172.54 1l2a s PRO 221 N -3.82 4.60 0.28 -0.38 0.04 -1.26 -0.86 135.00 133.61 1l2a s PRO 221 Ca 0.04 1.80 0.02 0.00 0.04 0.00 0.00 61.00 62.90 1l2a s PRO 221 Cb 0.02 -3.22 0.42 0.00 0.04 0.00 0.00 34.50 31.76 1l2a s PRO 221 CO -0.11 0.12 1.74 0.77 0.04 0.00 0.00 177.00 179.56 1l2a h SER 222 N 4.38 0.51 -3.26 6.66 0.02 -1.55 -3.37 113.55 116.93 1l2a h SER 222 Ca -0.46 -0.16 -0.72 0.00 -0.84 0.00 0.00 61.79 59.61 1l2a h SER 222 Cb 1.21 -0.14 -0.21 0.00 0.14 0.00 0.00 62.40 63.40 1l2a h SER 222 CO 0.70 0.72 -0.21 -0.63 -1.14 0.00 0.00 176.83 176.27 1l2a s ILE 223 N -4.58 5.12 -0.37 3.27 1.01 -1.26 -2.19 121.20 122.21 1l2a s ILE 223 Ca -0.07 -0.93 -0.19 0.00 0.00 0.00 0.00 60.65 59.46 1l2a s ILE 223 Cb 0.14 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1l2a s ILE 223 CO 0.79 -0.67 0.54 -0.70 0.00 0.00 0.00 174.94 174.89 1l2a s GLU 224 N 1.94 3.55 -0.03 2.79 2.56 0.12 -4.88 118.70 124.75 1l2a s GLU 224 Ca 0.07 -0.21 0.04 0.00 0.00 0.00 0.00 54.97 54.87 1l2a s GLU 224 Cb -0.23 -3.84 0.06 0.00 2.00 0.00 0.00 34.13 32.12 1l2a s GLU 224 CO 0.08 -0.71 0.93 0.39 -0.56 0.00 0.00 175.26 175.39 1l2a n GLU 225 N 5.83 1.83 -1.47 4.30 1.02 -1.26 -1.49 120.64 129.39 1l2a n GLU 225 Ca -0.04 -1.48 -0.16 0.00 -0.02 0.00 0.00 57.16 55.45 1l2a n GLU 225 Cb 0.49 -0.96 -0.07 0.00 -0.02 0.00 0.00 31.44 30.87 1l2a n GLU 225 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1l2a n PHE 226 N -0.55 0.00 -0.09 -0.32 3.72 -1.26 -4.87 117.46 114.09 1l2a n PHE 226 Ca 0.03 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.32 1l2a n PHE 226 Cb 0.41 -3.01 0.02 0.00 -0.94 0.00 0.00 39.48 35.96 1l2a n PHE 226 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1l2a h LYS 227 N 0.01 0.83 -5.40 -1.08 6.56 -1.94 -3.44 116.57 112.12 1l2a h LYS 227 Ca -0.33 -0.43 -0.55 0.00 -1.06 0.00 0.00 60.65 58.27 1l2a h LYS 227 Cb 1.19 0.01 -0.13 0.00 -0.57 0.00 0.00 32.23 32.72 1l2a h LYS 227 CO 0.49 1.07 -0.60 0.71 -2.06 0.00 0.00 179.45 179.06 1l2a s TYR 228 N -4.35 2.19 0.00 -1.35 1.51 -1.26 -5.03 117.35 109.06 1l2a s TYR 228 Ca -0.10 -0.85 0.00 0.00 -1.01 0.00 0.00 57.07 55.11 1l2a s TYR 228 Cb 0.12 -1.50 0.00 0.00 -0.11 0.00 0.00 41.96 40.46 1l2a s TYR 228 CO 0.86 0.19 0.00 0.41 -1.11 0.00 0.00 175.55 175.90 1l2a n GLY 229 N -0.84 0.92 0.00 0.71 0.00 -0.28 -4.17 105.19 101.54 1l2a n GLY 229 Ca -0.04 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1l2a n GLY 229 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l2a n GLY 230 N 0.00 4.01 0.29 -0.02 0.00 -0.53 -1.29 105.19 107.66 1l2a n GLY 230 Ca 0.00 -2.13 0.05 0.00 0.00 0.00 0.00 46.02 43.94 1l2a n GLY 230 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1l2a h PRO 231 N 0.00 0.39 -0.90 1.61 0.11 -1.92 0.86 132.00 132.14 1l2a h PRO 231 Ca 0.00 -0.03 -0.50 0.00 0.11 0.00 0.00 66.00 65.58 1l2a h PRO 231 Cb 0.00 -0.09 -0.28 0.00 0.11 0.00 0.00 31.00 30.74 1l2a h PRO 231 CO 0.00 0.27 0.56 0.09 -0.21 0.00 0.00 178.00 178.71 1l2a n ASN 232 N -4.48 4.35 0.00 -2.05 3.02 -1.26 -4.95 115.26 109.88 1l2a n ASN 232 Ca 0.01 -3.67 0.00 0.00 -0.03 0.00 0.00 54.58 50.89 1l2a n ASN 232 Cb 0.08 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 1l2a n ASN 232 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1l2a n GLY 233 N -1.09 3.44 0.78 7.41 0.00 0.29 -1.91 105.19 114.11 1l2a n GLY 233 Ca 0.57 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.57 1l2a n GLY 233 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1l2a n PHE 234 N 14.00 0.00 -0.10 1.61 3.01 -1.26 -1.45 117.46 133.27 1l2a n PHE 234 Ca 0.00 -0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.40 1l2a n PHE 234 Cb 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.48 1l2a n PHE 234 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1l2a h LEU 235 N 3.82 -0.24 -0.95 4.37 3.38 -1.76 -1.98 115.31 121.94 1l2a h LEU 235 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1l2a h LEU 235 Cb 0.81 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1l2a h LEU 235 CO 0.00 -0.08 0.00 -0.90 0.09 0.00 0.00 178.44 177.55 1l2a n ASP 236 N -5.24 1.28 0.17 -0.43 5.75 -1.26 -1.40 116.55 115.43 1l2a n ASP 236 Ca 0.01 -2.08 0.08 0.00 -0.01 0.00 0.00 54.79 52.79 1l2a n ASP 236 Cb 0.19 -0.28 0.09 0.00 -1.03 0.00 0.00 41.12 40.09 1l2a n ASP 236 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1l2a h LEU 237 N 0.87 0.00 0.00 -2.12 3.38 -1.70 -3.40 115.31 112.34 1l2a h LEU 237 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1l2a h LEU 237 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1l2a h LEU 237 CO 0.04 0.23 -1.09 0.49 0.09 0.00 0.00 178.44 178.20 1l2a n PHE 238 N -3.12 0.00 -4.04 1.13 3.72 -0.49 -3.05 117.46 111.61 1l2a n PHE 238 Ca 0.02 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.25 1l2a n PHE 238 Cb 0.63 -0.19 -0.16 0.00 -0.94 0.00 0.00 39.48 38.82 1l2a n PHE 238 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1l2a s THR 239 N -2.12 0.32 -0.21 4.37 -4.23 -0.70 -1.49 115.64 111.58 1l2a s THR 239 Ca -0.08 -0.03 -0.22 0.00 -1.18 0.00 0.00 61.69 60.18 1l2a s THR 239 Cb 0.03 -0.37 -0.02 0.00 1.34 0.00 0.00 72.50 73.48 1l2a s THR 239 CO 0.10 0.16 0.71 -0.75 -0.54 0.00 0.00 174.62 174.30 1l2a s LYS 240 N 0.76 4.21 0.34 3.99 2.20 0.15 -4.30 119.74 127.09 1l2a s LYS 240 Ca -0.08 0.76 0.09 0.00 -0.36 0.00 0.00 55.97 56.37 1l2a s LYS 240 Cb -0.12 -3.60 -0.06 0.00 -1.51 0.00 0.00 37.83 32.54 1l2a s LYS 240 CO -0.01 -0.34 -0.09 0.34 -0.36 0.00 0.00 175.35 174.90 1l2a s ASP 241 N 1.26 3.63 0.34 1.43 -1.08 -1.26 -1.24 116.67 119.75 1l2a s ASP 241 Ca 0.32 -1.21 0.08 0.00 -0.52 0.00 0.00 52.55 51.22 1l2a s ASP 241 Cb -0.16 -0.33 0.62 0.00 -1.46 0.00 0.00 42.92 41.59 1l2a s ASP 241 CO 0.10 -0.23 1.82 0.03 0.52 0.00 0.00 175.17 177.41 1l2a h ARG 242 N 2.04 0.27 -3.51 4.34 3.08 -1.97 -3.46 114.38 115.17 1l2a h ARG 242 Ca -0.42 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.49 1l2a h ARG 242 Cb 1.25 -0.02 -0.12 0.00 0.08 0.00 0.00 29.97 31.15 1l2a h ARG 242 CO 0.71 0.50 -0.12 -1.54 -1.07 0.00 0.00 179.97 178.44 1l2a s SER 243 N -6.86 -0.15 -0.10 7.04 1.04 -1.26 -5.17 113.70 108.23 1l2a s SER 243 Ca -0.05 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 55.89 1l2a s SER 243 Cb 0.15 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 1l2a s SER 243 CO 0.75 -0.90 -0.15 -0.31 0.98 0.00 0.00 173.24 173.61 1l2a s TYR 244 N -3.86 2.74 0.10 5.02 1.51 -1.26 -5.11 117.35 116.49 1l2a s TYR 244 Ca 0.08 -0.57 0.04 0.00 -1.01 0.00 0.00 57.07 55.61 1l2a s TYR 244 Cb 0.02 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 40.06 1l2a s TYR 244 CO -0.07 -0.14 -0.12 0.00 -1.11 0.00 0.00 175.55 174.12 1l2a s ALA 245 N 0.07 1.20 0.49 3.71 0.00 -1.26 -5.10 121.76 120.87 1l2a s ALA 245 Ca -0.06 -1.17 -0.23 0.00 0.00 0.00 0.00 51.96 50.50 1l2a s ALA 245 Cb -0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.89 1l2a s ALA 245 CO 0.05 0.03 1.29 0.15 0.00 0.00 0.00 175.76 177.28 1l2a s LYS 246 N -2.53 3.49 0.00 0.00 1.02 -1.26 -4.95 119.74 115.51 1l2a s LYS 246 Ca 0.04 2.09 -0.29 0.00 0.02 0.00 0.00 55.97 57.84 1l2a s LYS 246 Cb -0.05 -2.41 0.10 0.00 -0.52 0.00 0.00 37.83 34.96 1l2a s LYS 246 CO 0.01 -0.86 0.91 1.14 -0.92 0.00 0.00 175.35 175.63 1l2a s GLN 247 N -2.71 0.83 0.19 1.68 -2.07 -0.56 -1.97 119.66 115.05 1l2a s GLN 247 Ca 0.66 -0.33 0.10 0.00 -1.82 0.00 0.00 55.36 53.98 1l2a s GLN 247 Cb -0.37 0.37 -0.04 0.00 -1.09 0.00 0.00 33.01 31.88 1l2a s GLN 247 CO 0.44 -0.37 -0.21 1.67 -1.32 0.00 0.00 175.29 175.50 1l2a s TRP 248 N -3.10 2.10 -0.15 9.60 1.48 -0.30 0.15 118.94 128.72 1l2a s TRP 248 Ca 0.06 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.41 1l2a s TRP 248 Cb -0.01 -1.03 0.09 0.00 -1.16 0.00 0.00 33.47 31.35 1l2a s TRP 248 CO -0.08 0.44 0.78 -0.98 -4.06 0.00 0.00 176.95 173.06 1l2a s ARG 249 N -2.77 0.86 0.21 3.25 3.03 -0.93 -1.18 118.95 121.44 1l2a s ARG 249 Ca 0.19 0.47 0.07 0.00 2.03 0.00 0.00 55.73 58.49 1l2a s ARG 249 Cb -0.07 0.41 -0.05 0.00 -1.03 0.00 0.00 34.95 34.21 1l2a s ARG 249 CO 0.09 -0.22 -0.11 0.71 -1.13 0.00 0.00 175.30 174.65 1l2a s TYR 250 N -0.60 1.67 -0.08 5.89 2.02 0.16 -4.73 117.35 121.69 1l2a s TYR 250 Ca -0.05 -0.66 -0.03 0.00 -0.37 0.00 0.00 57.07 55.96 1l2a s TYR 250 Cb -0.02 -0.84 0.04 0.00 -0.40 0.00 0.00 41.96 40.74 1l2a s TYR 250 CO 0.04 0.26 0.16 0.99 -1.57 0.00 0.00 175.55 175.44 1l2a s THR 251 N -3.08 -0.10 0.36 -0.71 2.01 -1.26 -1.58 115.64 111.28 1l2a s THR 251 Ca 0.24 0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.41 1l2a s THR 251 Cb 0.01 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 1l2a s THR 251 CO 0.07 0.09 0.62 0.54 -0.69 0.00 0.00 174.62 175.25 1l2a s ASN 252 N 1.43 6.35 -0.37 3.53 4.22 -0.47 -1.57 114.94 128.06 1l2a s ASN 252 Ca -0.07 0.71 0.01 0.00 -2.14 0.00 0.00 52.86 51.37 1l2a s ASN 252 Cb -0.12 -2.14 0.10 0.00 1.28 0.00 0.00 41.25 40.37 1l2a s ASN 252 CO -0.06 -0.34 0.12 0.00 -2.04 0.00 0.00 177.10 174.78 1l2a s ALA 253 N -2.34 3.02 0.05 3.54 0.00 -1.26 -3.97 121.76 120.79 1l2a s ALA 253 Ca 0.44 -2.51 0.31 0.00 0.00 0.00 0.00 51.96 50.19 1l2a s ALA 253 Cb -0.10 -2.18 1.54 0.00 0.00 0.00 0.00 23.12 22.39 1l2a s ALA 253 CO 0.36 -1.73 1.93 -1.00 0.00 0.00 0.00 175.76 175.32 1l2a h PRO 254 N 7.83 0.00 0.00 0.00 0.13 -1.84 -1.79 132.00 136.33 1l2a h PRO 254 Ca -0.09 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.98 1l2a h PRO 254 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1l2a h PRO 254 CO 0.60 0.00 -0.28 0.38 -0.23 0.00 0.00 178.00 178.47 1l2a h ASP 255 N 0.00 0.00 0.63 1.44 2.03 -1.92 -1.28 116.42 117.32 1l2a h ASP 255 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 1l2a h ASP 255 Cb 0.15 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.66 1l2a h ASP 255 CO 0.00 0.28 -0.30 0.00 -1.03 0.00 0.00 179.24 178.19 1l2a h ALA 256 N 1.72 -0.85 -0.86 4.15 0.00 -1.64 -0.01 119.26 121.77 1l2a h ALA 256 Ca -0.00 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1l2a h ALA 256 Cb 0.69 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1l2a h ALA 256 CO 0.04 -0.91 0.54 0.93 0.00 0.00 0.00 179.25 179.85 1l2a h GLU 257 N -0.98 0.96 -0.14 0.00 3.07 -1.64 -0.80 114.58 115.06 1l2a h GLU 257 Ca -0.09 -0.06 0.04 0.00 -0.50 0.00 0.00 59.36 58.76 1l2a h GLU 257 Cb 0.69 -0.22 -0.05 0.00 -0.84 0.00 0.00 28.75 28.33 1l2a h GLU 257 CO 0.14 0.64 -0.14 0.78 -1.40 0.00 0.00 179.01 179.03 1l2a h GLY 258 N 0.99 -0.06 1.06 -3.84 0.00 -1.12 -1.44 103.07 98.66 1l2a h GLY 258 Ca 0.37 0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.82 1l2a h GLY 258 CO -0.17 -0.15 0.27 -0.09 0.00 0.00 0.00 176.54 176.41 1l2a h ARG 259 N -0.17 1.18 -0.55 4.80 2.43 -0.30 -1.29 114.38 120.48 1l2a h ARG 259 Ca 0.09 -0.24 -0.07 0.00 -0.81 0.00 0.00 59.98 58.96 1l2a h ARG 259 Cb 0.31 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1l2a h ARG 259 CO -0.24 0.98 0.07 0.00 -1.51 0.00 0.00 179.97 179.27 1l2a h ALA 260 N 1.15 0.73 -0.52 2.80 0.00 -0.86 -0.93 119.26 121.64 1l2a h ALA 260 Ca 0.25 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1l2a h ALA 260 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1l2a h ALA 260 CO -0.01 0.49 -0.08 0.82 0.00 0.00 0.00 179.25 180.47 1l2a h ILE 261 N 0.81 1.27 -0.67 0.00 2.04 -1.02 -1.06 117.51 118.88 1l2a h ILE 261 Ca 0.16 -1.22 0.08 0.00 1.00 0.00 0.00 64.86 64.88 1l2a h ILE 261 Cb 0.44 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 1l2a h ILE 261 CO 0.01 0.43 0.34 -0.61 0.00 0.00 0.00 178.15 178.33 1l2a h GLN 262 N 0.84 0.59 -0.44 2.37 4.15 -1.05 -1.02 115.11 120.55 1l2a h GLN 262 Ca 0.14 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 1l2a h GLN 262 Cb 0.64 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 1l2a h GLN 262 CO 0.04 0.39 0.16 0.00 -1.93 0.00 0.00 178.83 177.50 1l2a h ALA 263 N 1.38 0.57 0.00 3.38 0.00 -0.69 -2.53 119.26 121.36 1l2a h ALA 263 Ca 0.32 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1l2a h ALA 263 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1l2a h ALA 263 CO -0.23 0.18 -0.32 0.28 0.00 0.00 0.00 179.25 179.17 1l2a h VAL 264 N 0.56 1.13 0.25 0.00 2.07 -0.53 0.36 116.25 120.08 1l2a h VAL 264 Ca 0.14 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1l2a h VAL 264 Cb 0.21 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1l2a h VAL 264 CO -0.01 0.31 -0.13 0.22 0.02 0.00 0.00 177.57 177.99 1l2a h TYR 265 N 0.00 -0.33 -0.55 1.57 3.20 -0.78 -0.61 116.97 119.47 1l2a h TYR 265 Ca -0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1l2a h TYR 265 Cb 0.60 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1l2a h TYR 265 CO 0.00 -0.21 0.35 -1.49 -1.64 0.00 0.00 178.16 175.18 1l2a h TRP 266 N -0.35 0.66 -0.76 -3.82 4.06 -1.26 0.25 115.95 114.73 1l2a h TRP 266 Ca -0.03 0.02 0.15 0.00 2.06 0.00 0.00 58.89 61.09 1l2a h TRP 266 Cb 0.28 -0.22 -0.10 0.00 -1.00 0.00 0.00 29.16 28.11 1l2a h TRP 266 CO -0.07 0.40 0.28 0.00 -3.56 0.00 0.00 178.44 175.49 1l2a h ALA 267 N 1.22 1.06 -0.05 1.49 0.00 -0.62 0.13 119.26 122.48 1l2a h ALA 267 Ca 0.21 0.13 -0.24 0.00 0.00 0.00 0.00 54.91 55.01 1l2a h ALA 267 Cb -0.04 0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1l2a h ALA 267 CO -0.07 -0.25 -0.92 -0.97 0.00 0.00 0.00 179.25 177.05 1l2a h ASN 268 N 0.40 0.82 0.29 0.00 -0.73 -0.24 -0.48 115.58 115.65 1l2a h ASN 268 Ca 0.42 -0.61 -0.01 0.00 1.87 0.00 0.00 56.30 57.97 1l2a h ASN 268 Cb 0.67 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 39.02 1l2a h ASN 268 CO -0.43 1.40 -0.14 0.50 -0.37 0.00 0.00 177.43 178.39 1l2a h LYS 269 N 0.40 -0.38 -0.57 6.67 3.64 0.10 -2.66 116.57 123.77 1l2a h LYS 269 Ca -0.09 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1l2a h LYS 269 Cb 1.55 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.43 1l2a h LYS 269 CO 0.18 -0.22 0.18 -1.49 -2.27 0.00 0.00 179.45 175.84 1l2a h TRP 270 N -0.45 0.91 -0.53 1.91 6.55 -1.03 -1.47 115.95 121.84 1l2a h TRP 270 Ca -0.04 -0.09 -0.03 0.00 0.95 0.00 0.00 58.89 59.68 1l2a h TRP 270 Cb 0.34 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.35 1l2a h TRP 270 CO -0.04 0.76 0.20 0.00 -1.05 0.00 0.00 178.44 178.31 1l2a h ALA 271 N 1.05 0.69 -0.89 1.49 0.00 -1.14 -2.83 119.26 117.62 1l2a h ALA 271 Ca 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1l2a h ALA 271 Cb 0.27 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1l2a h ALA 271 CO -0.01 0.31 0.48 -0.22 0.00 0.00 0.00 179.25 179.80 1l2a h LYS 272 N 0.72 1.25 -0.21 0.00 1.63 -1.28 0.67 116.57 119.34 1l2a h LYS 272 Ca 0.18 -0.15 0.06 0.00 -0.85 0.00 0.00 60.65 59.88 1l2a h LYS 272 Cb 0.21 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1l2a h LYS 272 CO -0.01 0.92 0.26 0.93 -3.45 0.00 0.00 179.45 178.09 1l2a h GLU 273 N 1.25 0.00 -0.37 1.90 5.08 -1.04 0.47 114.58 121.87 1l2a h GLU 273 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1l2a h GLU 273 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1l2a h GLU 273 CO -0.05 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.00 1l2a n GLN 274 N -3.66 2.48 -1.76 2.33 6.02 0.02 -4.95 117.38 117.86 1l2a n GLN 274 Ca 0.02 -2.24 -0.17 0.00 -0.01 0.00 0.00 57.00 54.61 1l2a n GLN 274 Cb 0.38 -1.51 -0.05 0.00 1.02 0.00 0.00 30.24 30.08 1l2a n GLN 274 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1l2a n GLY 275 N 1.49 1.04 0.15 1.08 0.00 0.16 -4.88 105.19 104.23 1l2a n GLY 275 Ca 0.19 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1l2a n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1l2a n LYS 276 N -2.55 1.36 -1.96 1.61 5.02 -0.01 -4.90 118.16 116.73 1l2a n LYS 276 Ca -0.18 -2.66 -0.42 0.00 -2.02 0.00 0.00 58.31 53.03 1l2a n LYS 276 Cb 0.59 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1l2a n LYS 276 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1l2a n GLY 277 N -1.38 3.94 0.00 0.72 0.00 -1.12 -1.30 105.19 106.05 1l2a n GLY 277 Ca 0.17 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1l2a n GLY 277 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1l2a n SER 278 N 6.68 0.00 0.29 1.61 2.88 -1.26 -4.80 113.62 119.02 1l2a n SER 278 Ca 0.51 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 58.22 1l2a n SER 278 Cb 0.41 0.00 0.84 0.00 -0.75 0.00 0.00 64.21 64.71 1l2a n SER 278 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1l2a h ALA 279 N 0.00 1.11 -0.11 -1.46 0.00 -1.60 -3.24 119.26 113.96 1l2a h ALA 279 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1l2a h ALA 279 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1l2a h ALA 279 CO 0.00 0.07 0.00 1.33 0.00 0.00 0.00 179.25 180.65 1l2a n VAL 280 N -3.31 0.68 -0.29 0.00 0.24 -1.26 -4.80 118.33 109.60 1l2a n VAL 280 Ca -0.01 -0.84 0.01 0.00 -2.04 0.00 0.00 64.34 61.45 1l2a n VAL 280 Cb 0.22 0.69 0.14 0.00 -1.47 0.00 0.00 33.84 33.42 1l2a n VAL 280 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1l2a h ALA 281 N 0.95 1.11 0.00 2.33 0.00 -1.87 -1.06 119.26 120.73 1l2a h ALA 281 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1l2a h ALA 281 Cb 0.48 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1l2a h ALA 281 CO 0.00 0.19 -0.47 0.66 0.00 0.00 0.00 179.25 179.62 1l2a h SER 282 N 0.87 0.00 -0.06 0.00 4.64 -1.87 -2.10 113.55 115.03 1l2a h SER 282 Ca 0.36 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.64 1l2a h SER 282 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1l2a h SER 282 CO -0.19 0.47 -0.13 0.58 -0.87 0.00 0.00 176.83 176.69 1l2a h VAL 283 N 0.00 1.42 -0.69 0.95 2.07 -1.77 -2.26 116.25 115.97 1l2a h VAL 283 Ca -0.00 -1.45 0.15 0.00 0.82 0.00 0.00 66.70 66.21 1l2a h VAL 283 Cb 1.14 2.23 -0.11 0.00 -1.52 0.00 0.00 31.29 33.03 1l2a h VAL 283 CO 0.06 0.40 0.07 0.58 0.02 0.00 0.00 177.57 178.70 1l2a h VAL 284 N -0.30 0.47 -0.25 2.57 2.07 -1.13 0.68 116.25 120.36 1l2a h VAL 284 Ca 0.00 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 1l2a h VAL 284 Cb 0.72 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1l2a h VAL 284 CO 0.03 0.03 -0.28 -1.28 0.02 0.00 0.00 177.57 176.09 1l2a h SER 285 N 0.17 0.50 -0.36 0.57 0.87 -1.36 -1.88 113.55 112.06 1l2a h SER 285 Ca 0.38 -0.18 -0.13 0.00 -1.23 0.00 0.00 61.79 60.63 1l2a h SER 285 Cb 0.64 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1l2a h SER 285 CO -0.55 0.77 -0.25 0.11 -0.53 0.00 0.00 176.83 176.38 1l2a h LYS 286 N 0.43 0.87 -0.74 2.24 1.57 -0.70 -2.81 116.57 117.42 1l2a h LYS 286 Ca 0.06 -0.37 0.03 0.00 -1.87 0.00 0.00 60.65 58.49 1l2a h LYS 286 Cb 0.72 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 1l2a h LYS 286 CO 0.06 1.02 0.47 0.00 -0.57 0.00 0.00 179.45 180.42 1l2a h ALA 287 N 0.97 0.97 -0.23 3.86 0.00 -0.72 -0.35 119.26 123.75 1l2a h ALA 287 Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1l2a h ALA 287 Cb 0.80 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1l2a h ALA 287 CO 0.07 0.26 0.03 0.00 0.00 0.00 0.00 179.25 179.61 1l2a h ALA 288 N 1.31 0.22 -0.51 0.00 0.00 -1.25 0.12 119.26 119.15 1l2a h ALA 288 Ca 0.30 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.27 1l2a h ALA 288 Cb 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1l2a h ALA 288 CO -0.11 -0.39 0.33 -0.22 0.00 0.00 0.00 179.25 178.86 1l2a h LYS 289 N 0.11 0.65 -0.57 0.00 3.64 -1.29 -1.90 116.57 117.21 1l2a h LYS 289 Ca 0.11 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1l2a h LYS 289 Cb 0.11 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 1l2a h LYS 289 CO -0.15 0.43 0.29 1.98 -2.27 0.00 0.00 179.45 179.73 1l2a h MET 290 N 0.67 0.53 -0.07 1.90 4.05 0.09 0.05 114.93 122.15 1l2a h MET 290 Ca 0.19 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.55 1l2a h MET 290 Cb -0.05 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 1l2a h MET 290 CO -0.05 0.35 -0.09 0.78 0.23 0.00 0.00 176.91 178.12 1l2a h GLY 291 N 0.54 0.11 1.06 1.39 0.00 -0.47 -1.84 103.07 103.86 1l2a h GLY 291 Ca 0.26 -0.06 -0.13 0.00 0.00 0.00 0.00 47.33 47.40 1l2a h GLY 291 CO -0.19 0.06 -0.25 -1.80 0.00 0.00 0.00 176.54 174.36 1l2a h ASP 292 N 0.11 0.91 0.61 0.19 1.82 -0.21 -3.01 116.42 116.83 1l2a h ASP 292 Ca 0.02 -0.42 -0.07 0.00 -0.39 0.00 0.00 57.03 56.17 1l2a h ASP 292 Cb 0.23 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 39.98 1l2a h ASP 292 CO 0.01 1.14 -0.35 -0.26 -1.61 0.00 0.00 179.24 178.18 1l2a h PHE 293 N 0.69 0.00 0.00 0.28 -1.00 -0.55 -2.43 116.94 113.93 1l2a h PHE 293 Ca 0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.86 1l2a h PHE 293 Cb 0.82 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.38 1l2a h PHE 293 CO 0.06 0.35 0.09 1.28 -1.61 0.00 0.00 178.31 178.47 1l2a n LEU 294 N -3.73 0.32 0.28 1.54 4.32 -0.82 -1.12 117.00 117.79 1l2a n LEU 294 Ca -0.01 0.60 0.12 0.00 -0.02 0.00 0.00 56.01 56.71 1l2a n LEU 294 Cb 0.44 -0.62 0.79 0.00 -1.62 0.00 0.00 43.42 42.40 1l2a n LEU 294 CO 0.36 -0.71 1.07 0.03 -1.22 0.00 0.00 177.39 176.92 1l2a h ARG 295 N 0.00 0.00 0.00 3.23 3.08 -1.55 -0.93 114.38 118.21 1l2a h ARG 295 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1l2a h ARG 295 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1l2a h ARG 295 CO 0.00 0.04 -0.06 -0.91 -1.07 0.00 0.00 179.97 177.97 1l2a h ASN 296 N 0.00 0.00 0.54 7.04 2.35 -1.37 -2.03 115.58 122.11 1l2a h ASN 296 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1l2a h ASN 296 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1l2a h ASN 296 CO 0.01 0.06 0.00 0.47 -1.65 0.00 0.00 177.43 176.32 1l2a n ASP 297 N -3.60 0.00 -0.51 5.81 8.00 -0.35 -3.71 116.55 122.19 1l2a n ASP 297 Ca -0.02 0.03 0.12 0.00 0.71 0.00 0.00 54.79 55.63 1l2a n ASP 297 Cb 0.17 -0.32 0.43 0.00 -0.02 0.00 0.00 41.12 41.38 1l2a n ASP 297 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1l2a n MET 298 N -1.32 1.69 -4.50 -1.24 2.81 -0.76 -1.58 117.12 112.21 1l2a n MET 298 Ca 0.11 -1.02 -0.31 0.00 -1.81 0.00 0.00 57.70 54.67 1l2a n MET 298 Cb 0.22 -1.42 -0.12 0.00 -0.71 0.00 0.00 33.22 31.19 1l2a n MET 298 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1l2a s PHE 299 N -1.86 2.64 0.37 2.03 0.40 -1.24 -0.84 117.98 119.48 1l2a s PHE 299 Ca 0.34 -0.20 -0.24 0.00 -0.60 0.00 0.00 56.93 56.23 1l2a s PHE 299 Cb 0.19 -1.47 -0.13 0.00 0.51 0.00 0.00 43.02 42.12 1l2a s PHE 299 CO 0.29 0.32 0.68 -3.47 0.70 0.00 0.00 175.22 173.74 1l2a n ASP 300 N 1.29 -0.28 -0.15 1.36 2.03 -0.47 -0.75 116.55 119.59 1l2a n ASP 300 Ca -0.15 1.00 -0.07 0.00 0.52 0.00 0.00 54.79 56.09 1l2a n ASP 300 Cb 0.52 -1.16 -0.01 0.00 -0.72 0.00 0.00 41.12 39.76 1l2a n ASP 300 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1l2a h LYS 301 N 1.12 -0.21 -0.71 -0.67 3.64 -1.76 -2.05 116.57 115.94 1l2a h LYS 301 Ca -0.39 0.01 -0.37 0.00 -1.27 0.00 0.00 60.65 58.63 1l2a h LYS 301 Cb 1.39 0.05 -0.22 0.00 -0.41 0.00 0.00 32.23 33.03 1l2a h LYS 301 CO 0.54 -0.14 0.31 0.66 -2.27 0.00 0.00 179.45 178.56 1l2a n TYR 302 N -5.42 2.19 -3.57 1.91 4.01 -1.26 -2.39 117.16 112.63 1l2a n TYR 302 Ca 0.02 -1.79 -0.26 0.00 -0.16 0.00 0.00 57.90 55.71 1l2a n TYR 302 Cb 0.34 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.62 1l2a n TYR 302 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1l2a n PHE 303 N -1.13 -1.91 -2.27 -0.72 3.01 -0.77 -1.25 117.46 112.41 1l2a n PHE 303 Ca 0.48 0.61 -0.32 0.00 1.01 0.00 0.00 57.45 59.23 1l2a n PHE 303 Cb 1.35 -3.31 -0.02 0.00 -0.01 0.00 0.00 39.48 37.49 1l2a n PHE 303 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1l2a s MET 304 N -6.24 3.70 0.19 -1.08 -1.94 -1.26 -1.57 119.30 111.10 1l2a s MET 304 Ca 0.50 1.07 -0.31 0.00 -1.71 0.00 0.00 55.69 55.24 1l2a s MET 304 Cb -0.26 -2.09 -0.10 0.00 2.01 0.00 0.00 34.83 34.39 1l2a s MET 304 CO 0.61 -0.48 1.50 0.21 -0.01 0.00 0.00 175.02 176.84 1l2a s LYS 305 N -4.03 4.25 0.22 2.03 2.20 0.90 -4.30 119.74 121.01 1l2a s LYS 305 Ca 0.61 2.30 -0.31 0.00 -0.36 0.00 0.00 55.97 58.20 1l2a s LYS 305 Cb -0.13 -3.15 -0.12 0.00 -1.51 0.00 0.00 37.83 32.93 1l2a s LYS 305 CO 0.33 -0.51 1.68 0.42 -0.36 0.00 0.00 175.35 176.90 1l2a s ILE 306 N 0.73 2.11 0.00 5.43 -1.09 0.47 -1.70 121.20 127.15 1l2a s ILE 306 Ca 0.65 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 1l2a s ILE 306 Cb -0.42 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 1l2a s ILE 306 CO 0.35 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 1l2a n GLY 307 N 3.55 1.20 0.35 6.18 0.00 -1.25 -4.95 105.19 110.27 1l2a n GLY 307 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1l2a n GLY 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l2a h ALA 308 N 0.00 1.69 -3.15 4.61 0.00 -1.65 -3.45 119.26 117.30 1l2a h ALA 308 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 1l2a h ALA 308 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1l2a h ALA 308 CO 0.00 0.19 -0.31 1.04 0.00 0.00 0.00 179.25 180.18 1l2a n GLN 309 N -4.48 -1.95 -3.82 0.00 6.02 -1.26 -4.88 117.38 107.01 1l2a n GLN 309 Ca 0.11 0.66 -0.05 0.00 -0.01 0.00 0.00 57.00 57.71 1l2a n GLN 309 Cb 0.23 -5.17 0.00 0.00 1.02 0.00 0.00 30.24 26.32 1l2a n GLN 309 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1l2a s ASP 310 N -2.05 -0.11 -1.54 1.08 -1.08 -1.23 -3.68 116.67 108.07 1l2a s ASP 310 Ca 0.00 -0.67 -0.12 0.00 -0.52 0.00 0.00 52.55 51.24 1l2a s ASP 310 Cb 0.00 0.62 -0.03 0.00 -1.46 0.00 0.00 42.92 42.05 1l2a s ASP 310 CO 0.00 -1.18 2.60 0.29 0.52 0.00 0.00 175.17 177.39 1l2a n LYS 311 N -0.53 3.27 -3.38 4.34 5.02 -1.26 -4.85 118.16 120.76 1l2a n LYS 311 Ca -0.05 -2.39 -0.42 0.00 -2.02 0.00 0.00 58.31 53.42 1l2a n LYS 311 Cb 0.60 -3.04 -0.09 0.00 -0.02 0.00 0.00 35.03 32.48 1l2a n LYS 311 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1l2a s THR 312 N 2.70 5.16 0.31 -0.18 2.01 -1.26 -4.86 115.64 119.52 1l2a s THR 312 Ca 0.58 -0.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 1l2a s THR 312 Cb 0.16 -3.96 -0.10 0.00 0.01 0.00 0.00 72.50 68.61 1l2a s THR 312 CO -0.07 -0.32 1.22 -2.84 -0.69 0.00 0.00 174.62 171.92 1l2a s PRO 313 N 1.96 4.48 0.35 4.92 0.02 -1.26 -0.07 135.00 145.40 1l2a s PRO 313 Ca 0.10 2.03 0.07 0.00 0.02 0.00 0.00 61.00 63.22 1l2a s PRO 313 Cb -0.18 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.20 1l2a s PRO 313 CO 0.12 -0.01 0.38 0.00 -0.33 0.00 0.00 177.00 177.15 1l2a s ALA 314 N -1.12 4.03 0.00 -1.55 0.00 -0.61 -4.61 121.76 117.90 1l2a s ALA 314 Ca 0.47 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1l2a s ALA 314 Cb -0.36 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1l2a s ALA 314 CO 0.47 -0.04 0.00 0.25 0.00 0.00 0.00 175.76 176.45 1l2a n THR 315 N -1.50 0.00 0.00 0.00 -2.24 -1.26 -1.25 114.28 108.02 1l2a n THR 315 Ca -0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1l2a n THR 315 Cb 0.59 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1l2a n THR 315 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1l2a n GLY 316 N 1.06 1.22 1.37 3.38 0.00 -1.26 -4.83 105.19 106.12 1l2a n GLY 316 Ca 0.00 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 45.00 1l2a n GLY 316 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1l2a n TYR 317 N 0.00 1.30 0.18 1.61 4.01 -1.26 -4.53 117.16 118.47 1l2a n TYR 317 Ca 0.00 -0.46 0.11 0.00 -0.16 0.00 0.00 57.90 57.38 1l2a n TYR 317 Cb 0.00 -0.33 0.55 0.00 -0.31 0.00 0.00 39.34 39.25 1l2a n TYR 317 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1l2a n ASP 318 N 0.49 0.55 -0.90 7.72 8.00 -1.26 -0.36 116.55 130.78 1l2a n ASP 318 Ca 0.18 0.74 0.08 0.00 0.71 0.00 0.00 54.79 56.50 1l2a n ASP 318 Cb 0.83 -0.82 0.20 0.00 -0.02 0.00 0.00 41.12 41.31 1l2a n ASP 318 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1l2a n SER 319 N -2.22 3.22 -4.61 -2.24 3.41 -1.26 -0.39 113.62 109.53 1l2a n SER 319 Ca -0.01 -1.95 -0.40 0.00 -0.26 0.00 0.00 58.87 56.25 1l2a n SER 319 Cb 0.06 -0.29 -0.08 0.00 -0.26 0.00 0.00 64.21 63.63 1l2a n SER 319 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1l2a s ALA 320 N -1.05 3.57 -0.80 7.33 0.00 0.51 -1.37 121.76 129.95 1l2a s ALA 320 Ca 0.32 -0.71 0.24 0.00 0.00 0.00 0.00 51.96 51.81 1l2a s ALA 320 Cb 0.17 -2.85 0.33 0.00 0.00 0.00 0.00 23.12 20.77 1l2a s ALA 320 CO 0.23 -0.77 1.28 -2.39 0.00 0.00 0.00 175.76 174.11 1l2a n HIS 321 N 5.50 0.22 -1.23 0.00 1.44 -0.02 -4.92 115.22 116.20 1l2a n HIS 321 Ca -0.05 0.07 -0.08 0.00 -2.01 0.00 0.00 57.72 55.64 1l2a n HIS 321 Cb 0.50 -0.40 -0.03 0.00 0.12 0.00 0.00 29.99 30.17 1l2a n HIS 321 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1l2a n TYR 322 N -1.79 0.00 -3.25 -1.40 4.01 -0.98 -4.99 117.16 108.76 1l2a n TYR 322 Ca 0.04 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.59 1l2a n TYR 322 Cb 0.39 -2.26 0.00 0.00 -0.31 0.00 0.00 39.34 37.16 1l2a n TYR 322 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1l2a s LEU 323 N -1.83 3.42 -0.56 7.72 1.43 -1.26 -4.53 118.68 123.07 1l2a s LEU 323 Ca 0.00 -0.65 -0.25 0.00 -1.03 0.00 0.00 54.13 52.20 1l2a s LEU 323 Cb 0.00 -2.20 0.04 0.00 0.03 0.00 0.00 46.19 44.06 1l2a s LEU 323 CO 0.00 -0.84 0.98 -0.04 0.23 0.00 0.00 176.35 176.68 1l2a s MET 324 N -4.33 3.36 0.97 1.70 -1.94 -1.26 -3.42 119.30 114.37 1l2a s MET 324 Ca 0.53 -0.19 -0.16 0.00 -1.71 0.00 0.00 55.69 54.15 1l2a s MET 324 Cb -0.07 -4.05 0.23 0.00 2.01 0.00 0.00 34.83 32.95 1l2a s MET 324 CO 0.32 -1.52 1.10 0.00 -0.01 0.00 0.00 175.02 174.91 1l2a n ALA 325 N 7.63 -2.06 0.26 3.03 0.00 -0.61 -4.41 120.51 124.34 1l2a n ALA 325 Ca 0.03 -1.51 0.11 0.00 0.00 0.00 0.00 53.44 52.06 1l2a n ALA 325 Cb 0.48 -0.09 0.70 0.00 0.00 0.00 0.00 19.45 20.54 1l2a n ALA 325 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1l2a h TRP 326 N -2.06 0.00 -2.02 0.00 2.91 -1.59 -3.43 115.95 109.76 1l2a h TRP 326 Ca -0.38 0.00 0.25 0.00 1.13 0.00 0.00 58.89 59.89 1l2a h TRP 326 Cb 1.08 0.00 -0.08 0.00 -0.51 0.00 0.00 29.16 29.65 1l2a h TRP 326 CO 0.00 0.08 0.69 1.52 -1.03 0.00 0.00 178.44 179.70 1l2a s TYR 327 N -4.59 -0.03 0.01 2.65 -0.85 -1.26 -4.47 117.35 108.80 1l2a s TYR 327 Ca -0.04 -0.19 0.04 0.00 -0.52 0.00 0.00 57.07 56.36 1l2a s TYR 327 Cb 0.15 0.61 -0.01 0.00 0.38 0.00 0.00 41.96 43.08 1l2a s TYR 327 CO 0.62 -0.57 -0.14 0.99 -1.52 0.00 0.00 175.55 174.93 1l2a s THR 328 N -2.57 1.07 0.13 -3.49 2.01 -1.25 -3.54 115.64 108.01 1l2a s THR 328 Ca 0.17 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.53 1l2a s THR 328 Cb 0.01 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1l2a s THR 328 CO 0.00 0.20 -0.17 0.00 -0.69 0.00 0.00 174.62 173.96 1l2a s ALA 329 N -0.49 1.76 0.09 7.40 0.00 -0.94 -1.37 121.76 128.21 1l2a s ALA 329 Ca 0.04 -1.35 -0.22 0.00 0.00 0.00 0.00 51.96 50.43 1l2a s ALA 329 Cb -0.06 -0.16 0.05 0.00 0.00 0.00 0.00 23.12 22.95 1l2a s ALA 329 CO 0.00 0.22 0.52 1.67 0.00 0.00 0.00 175.76 178.17 1l2a s TRP 330 N -1.85 -0.42 0.01 0.00 -2.14 -0.62 -1.01 118.94 112.91 1l2a s TRP 330 Ca 0.11 0.34 -0.17 0.00 2.66 0.00 0.00 56.10 59.04 1l2a s TRP 330 Cb -0.07 0.39 0.06 0.00 -3.10 0.00 0.00 33.47 30.75 1l2a s TRP 330 CO 0.05 -0.71 0.76 0.41 -2.66 0.00 0.00 176.95 174.80 1l2a n GLY 331 N 0.09 0.46 3.78 3.67 0.00 -0.79 -0.66 105.19 111.73 1l2a n GLY 331 Ca -0.18 -0.98 0.02 0.00 0.00 0.00 0.00 46.02 44.89 1l2a n GLY 331 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1l2a s GLY 332 N -3.31 -0.29 0.73 -0.02 0.00 -0.32 -1.25 107.32 102.87 1l2a s GLY 332 Ca 0.18 0.40 -0.11 0.00 0.00 0.00 0.00 44.72 45.19 1l2a s GLY 332 CO 0.00 2.55 1.07 -0.32 0.00 0.00 0.00 173.10 176.41 1l2a s GLY 333 N -3.35 1.66 -0.20 0.20 0.00 -1.06 -1.15 107.32 103.42 1l2a s GLY 333 Ca 0.21 0.05 -0.14 0.00 0.00 0.00 0.00 44.72 44.84 1l2a s GLY 333 CO -0.03 0.39 -0.31 1.39 0.00 0.00 0.00 173.10 174.55 1l2a n ILE 334 N -3.27 1.38 0.91 0.90 5.41 -0.83 -4.57 119.36 119.29 1l2a n ILE 334 Ca 0.08 -0.11 0.09 0.00 1.00 0.00 0.00 62.75 63.80 1l2a n ILE 334 Cb 0.54 -2.01 0.47 0.00 -0.71 0.00 0.00 39.64 37.93 1l2a n ILE 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1l2a n GLY 335 N 1.60 -0.80 3.36 7.39 0.00 -1.26 -4.87 105.19 110.62 1l2a n GLY 335 Ca -0.32 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 1l2a n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l2a s ALA 336 N -2.44 -1.21 -0.43 4.61 0.00 -1.26 -5.13 121.76 115.90 1l2a s ALA 336 Ca 0.19 0.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.36 1l2a s ALA 336 Cb 0.12 0.66 0.10 0.00 0.00 0.00 0.00 23.12 24.00 1l2a s ALA 336 CO 0.25 -0.64 0.25 -1.54 0.00 0.00 0.00 175.76 174.09 1l2a s SER 337 N -2.56 5.46 0.14 0.00 1.04 -1.26 -3.96 113.70 112.56 1l2a s SER 337 Ca 0.00 -1.85 -0.12 0.00 0.48 0.00 0.00 55.95 54.46 1l2a s SER 337 Cb 0.00 -1.92 0.01 0.00 0.10 0.00 0.00 66.02 64.22 1l2a s SER 337 CO -0.09 -0.58 0.33 -1.66 0.98 0.00 0.00 173.24 172.22 1l2a s TRP 338 N 1.28 0.07 0.09 5.02 1.48 -1.26 -4.92 118.94 120.70 1l2a s TRP 338 Ca 0.06 -0.44 -0.24 0.00 -1.06 0.00 0.00 56.10 54.42 1l2a s TRP 338 Cb -0.24 0.11 0.06 0.00 -1.16 0.00 0.00 33.47 32.24 1l2a s TRP 338 CO -0.02 -0.70 0.57 0.00 -4.06 0.00 0.00 176.95 172.75 1l2a s ALA 339 N -3.88 -1.49 0.12 2.67 0.00 -1.26 -2.56 121.76 115.36 1l2a s ALA 339 Ca 0.08 0.61 -0.10 0.00 0.00 0.00 0.00 51.96 52.55 1l2a s ALA 339 Cb 0.03 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1l2a s ALA 339 CO -0.07 -0.62 0.26 1.67 0.00 0.00 0.00 175.76 177.00 1l2a s TRP 340 N -2.97 0.18 -0.14 0.00 1.48 -0.38 -4.54 118.94 112.58 1l2a s TRP 340 Ca -0.03 -0.57 -0.09 0.00 -1.06 0.00 0.00 56.10 54.35 1l2a s TRP 340 Cb -0.00 -0.00 0.05 0.00 -1.16 0.00 0.00 33.47 32.35 1l2a s TRP 340 CO -0.06 -0.64 0.34 0.21 -4.06 0.00 0.00 176.95 172.74 1l2a s LYS 341 N -3.89 0.33 0.09 3.25 2.20 -0.06 -1.89 119.74 119.77 1l2a s LYS 341 Ca 0.09 0.62 0.10 0.00 -0.36 0.00 0.00 55.97 56.41 1l2a s LYS 341 Cb 0.04 0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.33 1l2a s LYS 341 CO -0.07 -0.13 -0.25 0.96 -0.36 0.00 0.00 175.35 175.50 1l2a s ILE 342 N 1.01 2.05 0.00 5.43 -4.36 -0.18 -4.36 121.20 120.80 1l2a s ILE 342 Ca -0.07 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 1l2a s ILE 342 Cb -0.07 -1.80 0.00 0.00 1.25 0.00 0.00 42.46 41.84 1l2a s ILE 342 CO -0.08 0.15 0.00 0.61 0.24 0.00 0.00 174.94 175.87 1l2a n GLY 343 N 1.30 1.33 3.34 6.27 0.00 -1.01 -2.21 105.19 114.22 1l2a n GLY 343 Ca -0.18 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 1l2a n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l2a n SER 345 N 2.68 0.51 -4.52 0.00 7.64 -1.26 -3.76 113.62 114.91 1l2a n SER 345 Ca -0.14 -0.32 -0.34 0.00 1.01 0.00 0.00 58.87 59.08 1l2a n SER 345 Cb 0.57 0.02 -0.12 0.00 -1.01 0.00 0.00 64.21 63.67 1l2a n SER 345 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1l2a s HIS 346 N -2.78 2.91 -0.05 1.43 3.76 -1.26 -1.25 115.29 118.06 1l2a s HIS 346 Ca 0.18 -0.17 0.02 0.00 -0.15 0.00 0.00 55.06 54.95 1l2a s HIS 346 Cb 0.19 -1.78 0.01 0.00 1.11 0.00 0.00 32.58 32.11 1l2a s HIS 346 CO 0.58 0.15 -0.09 0.00 -0.85 0.00 0.00 174.74 174.54 1l2a s ALA 347 N -0.37 0.96 -0.14 -1.40 0.00 -0.41 -1.54 121.76 118.86 1l2a s ALA 347 Ca 0.05 -0.28 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 1l2a s ALA 347 Cb -0.12 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1l2a s ALA 347 CO 0.02 0.09 0.02 -1.58 0.00 0.00 0.00 175.76 174.32 1l2a s HIS 348 N 0.57 3.20 0.55 0.00 5.04 -1.26 -1.44 115.29 121.95 1l2a s HIS 348 Ca -0.10 0.07 0.23 0.00 -1.54 0.00 0.00 55.06 53.73 1l2a s HIS 348 Cb -0.13 -1.94 1.45 0.00 0.04 0.00 0.00 32.58 32.00 1l2a s HIS 348 CO 0.02 0.27 2.09 0.27 -2.34 0.00 0.00 174.74 175.05 1l2a h PHE 349 N 6.00 0.00 0.00 3.88 -0.00 -0.56 -1.51 116.94 124.76 1l2a h PHE 349 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.55 1l2a h PHE 349 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.14 1l2a h PHE 349 CO 0.59 0.00 0.00 0.41 -0.00 0.00 0.00 178.31 179.31 1l2a n GLY 350 N -1.52 -1.12 0.08 6.09 0.00 -1.26 -2.27 105.19 105.18 1l2a n GLY 350 Ca 0.02 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1l2a n GLY 350 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1l2a n TYR 351 N -2.15 0.00 -2.56 1.61 4.02 -0.57 -4.63 117.16 112.89 1l2a n TYR 351 Ca 0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.56 1l2a n TYR 351 Cb 0.17 -0.07 -0.04 0.00 -0.02 0.00 0.00 39.34 39.38 1l2a n TYR 351 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1l2a s GLN 352 N -2.90 3.84 -0.43 -0.72 -1.52 -0.96 -4.53 119.66 112.43 1l2a s GLN 352 Ca 0.11 1.36 0.06 0.00 -1.95 0.00 0.00 55.36 54.95 1l2a s GLN 352 Cb 0.17 -2.12 0.21 0.00 -0.22 0.00 0.00 33.01 31.05 1l2a s GLN 352 CO 0.76 -0.40 0.55 -1.71 -0.25 0.00 0.00 175.29 174.24 1l2a n ASN 353 N -0.90 -1.14 0.29 5.90 2.85 -1.26 -4.86 115.26 116.13 1l2a n ASN 353 Ca 0.09 -2.71 0.18 0.00 -0.11 0.00 0.00 54.58 52.03 1l2a n ASN 353 Cb 0.52 0.18 0.94 0.00 1.24 0.00 0.00 39.78 42.66 1l2a n ASN 353 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1l2a h PRO 354 N 4.73 0.00 0.45 1.20 0.13 -1.88 -1.03 132.00 135.60 1l2a h PRO 354 Ca 0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 1l2a h PRO 354 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1l2a h PRO 354 CO 0.33 0.00 -0.22 0.35 -0.23 0.00 0.00 178.00 178.24 1l2a h PHE 355 N 0.00 -0.56 -0.88 1.56 3.57 -1.94 -0.59 116.94 118.09 1l2a h PHE 355 Ca 0.04 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.65 1l2a h PHE 355 Cb 0.42 0.19 -0.09 0.00 2.79 0.00 0.00 35.95 39.26 1l2a h PHE 355 CO 0.00 -0.26 0.50 0.37 -2.23 0.00 0.00 178.31 176.69 1l2a h GLN 356 N -1.05 0.74 -0.21 1.11 -0.00 -1.78 -0.78 115.11 113.14 1l2a h GLN 356 Ca -0.06 -0.04 0.04 0.00 -0.00 0.00 0.00 58.65 58.59 1l2a h GLN 356 Cb 0.56 -0.17 -0.04 0.00 0.00 0.00 0.00 27.48 27.83 1l2a h GLN 356 CO 0.10 0.49 -0.06 0.78 0.00 0.00 0.00 178.83 180.13 1l2a h GLY 357 N 0.76 0.13 1.00 2.39 0.00 -1.19 -0.78 103.07 105.38 1l2a h GLY 357 Ca 0.46 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.88 1l2a h GLY 357 CO -0.31 -0.09 0.49 -0.25 0.00 0.00 0.00 176.54 176.38 1l2a h TRP 358 N -0.02 0.92 0.05 5.60 7.01 -0.44 -1.28 115.95 127.79 1l2a h TRP 358 Ca 0.10 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.14 1l2a h TRP 358 Cb 0.17 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 26.90 1l2a h TRP 358 CO -0.23 0.58 -0.15 0.28 -2.79 0.00 0.00 178.44 176.12 1l2a h VAL 359 N 0.99 0.64 0.00 2.65 2.07 -0.61 0.24 116.25 122.24 1l2a h VAL 359 Ca 0.27 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.75 1l2a h VAL 359 Cb -0.11 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1l2a h VAL 359 CO -0.06 0.00 -0.22 0.77 0.02 0.00 0.00 177.57 178.08 1l2a h SER 360 N -0.28 0.00 0.21 0.57 4.64 -0.96 -0.76 113.55 116.98 1l2a h SER 360 Ca 0.04 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.10 1l2a h SER 360 Cb 0.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1l2a h SER 360 CO -0.11 0.22 -1.06 0.00 -0.87 0.00 0.00 176.83 175.01 1l2a h ALA 361 N 1.78 0.19 0.00 5.18 0.00 -0.63 -3.40 119.26 122.38 1l2a h ALA 361 Ca -0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 54.91 54.10 1l2a h ALA 361 Cb 0.69 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1l2a h ALA 361 CO 0.03 0.76 -1.50 0.25 0.00 0.00 0.00 179.25 178.79 1l2a n THR 362 N -3.77 0.29 -3.02 0.00 -2.24 0.80 -4.82 114.28 101.52 1l2a n THR 362 Ca -0.10 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1l2a n THR 362 Cb 0.90 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.82 1l2a n THR 362 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1l2a s GLN 363 N -2.41 4.07 0.19 -0.78 -1.52 -0.31 -4.95 119.66 113.96 1l2a s GLN 363 Ca -0.04 0.63 -0.22 0.00 -1.95 0.00 0.00 55.36 53.78 1l2a s GLN 363 Cb 0.04 -3.67 0.13 0.00 -0.22 0.00 0.00 33.01 29.28 1l2a s GLN 363 CO 0.36 -0.51 1.57 1.03 -0.25 0.00 0.00 175.29 177.48 1l2a h SER 364 N 7.92 -1.43 0.67 5.90 0.87 -1.94 -0.00 113.55 125.53 1l2a h SER 364 Ca -0.25 0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1l2a h SER 364 Cb 1.11 0.70 -0.00 0.00 -0.44 0.00 0.00 62.40 63.77 1l2a h SER 364 CO 0.82 -0.30 -0.01 0.44 -0.53 0.00 0.00 176.83 177.25 1l2a h ASP 365 N -0.11 0.00 -0.64 6.23 3.32 -1.94 -0.67 116.42 122.60 1l2a h ASP 365 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1l2a h ASP 365 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1l2a h ASP 365 CO -0.81 0.01 0.00 0.49 -1.72 0.00 0.00 179.24 177.22 1l2a n PHE 366 N -3.13 0.96 -1.71 4.55 3.01 -0.11 -4.65 117.46 116.37 1l2a n PHE 366 Ca -0.01 -0.52 -0.42 0.00 1.01 0.00 0.00 57.45 57.51 1l2a n PHE 366 Cb 0.23 -0.05 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 1l2a n PHE 366 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1l2a n ALA 367 N 1.31 2.60 -1.75 4.37 0.00 -0.26 -4.61 120.51 122.16 1l2a n ALA 367 Ca 0.22 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.63 1l2a n ALA 367 Cb 0.63 -2.54 0.01 0.00 0.00 0.00 0.00 19.45 17.55 1l2a n ALA 367 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1l2a n PRO 368 N 4.44 2.39 0.23 0.00 -0.02 -1.26 -4.90 135.00 135.88 1l2a n PRO 368 Ca 0.17 0.84 0.12 0.00 -2.02 0.00 0.00 63.50 62.61 1l2a n PRO 368 Cb 0.35 -2.58 0.38 0.00 -0.02 0.00 0.00 33.50 31.63 1l2a n PRO 368 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1l2a h LYS 369 N 2.59 0.00 -7.38 -0.52 3.64 -1.91 -3.45 116.57 109.55 1l2a h LYS 369 Ca -0.50 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.39 1l2a h LYS 369 Cb 1.26 0.00 0.11 0.00 -0.41 0.00 0.00 32.23 33.19 1l2a h LYS 369 CO 0.62 0.12 0.34 -1.54 -2.27 0.00 0.00 179.45 176.73 1l2a s SER 370 N -6.08 4.68 0.36 4.20 1.04 -1.26 -4.85 113.70 111.79 1l2a s SER 370 Ca 0.03 1.44 0.21 0.00 0.48 0.00 0.00 55.95 58.11 1l2a s SER 370 Cb 0.08 -2.21 0.22 0.00 0.10 0.00 0.00 66.02 64.21 1l2a s SER 370 CO 0.63 -1.87 1.47 0.77 0.98 0.00 0.00 173.24 175.22 1l2a h SER 371 N -1.02 0.00 -0.01 7.02 4.64 -1.87 -3.32 113.55 118.99 1l2a h SER 371 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1l2a h SER 371 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1l2a h SER 371 CO 0.58 0.11 -0.35 0.59 -0.87 0.00 0.00 176.83 176.89 1l2a n ASN 372 N -3.05 1.51 -0.07 4.97 3.02 -1.26 -4.73 115.26 115.65 1l2a n ASN 372 Ca 0.03 -1.25 -0.08 0.00 -0.03 0.00 0.00 54.58 53.24 1l2a n ASN 372 Cb 0.58 0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 40.25 1l2a n ASN 372 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1l2a h GLY 373 N 3.31 0.34 0.75 7.41 0.00 -1.90 0.11 103.07 113.08 1l2a h GLY 373 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.31 1l2a h GLY 373 CO 0.00 0.03 0.11 1.70 0.00 0.00 0.00 176.54 178.38 1l2a h LYS 374 N 0.22 0.25 0.01 4.80 3.64 -1.85 0.11 116.57 123.74 1l2a h LYS 374 Ca 0.12 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1l2a h LYS 374 Cb 0.09 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1l2a h LYS 374 CO -0.13 0.16 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.05 1l2a h ARG 375 N 0.25 -0.13 -0.52 1.90 2.43 -1.75 -1.32 114.38 115.24 1l2a h ARG 375 Ca 0.14 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1l2a h ARG 375 Cb 0.11 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1l2a h ARG 375 CO -0.14 -0.09 0.35 -0.44 -1.51 0.00 0.00 179.97 178.14 1l2a h ASP 376 N -0.13 0.60 0.07 -3.80 3.32 -0.53 -2.18 116.42 113.76 1l2a h ASP 376 Ca 0.03 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1l2a h ASP 376 Cb 0.17 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1l2a h ASP 376 CO -0.07 0.43 -0.16 -0.50 -1.72 0.00 0.00 179.24 177.22 1l2a h TRP 377 N 0.71 0.19 -0.52 4.55 4.06 -0.87 0.57 115.95 124.64 1l2a h TRP 377 Ca 0.19 -0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.10 1l2a h TRP 377 Cb -0.08 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.01 1l2a h TRP 377 CO -0.04 0.35 0.24 1.15 -3.56 0.00 0.00 178.44 176.58 1l2a h THR 378 N 0.18 1.20 -0.17 1.49 2.02 -0.70 -1.83 112.91 115.09 1l2a h THR 378 Ca 0.03 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1l2a h THR 378 Cb 0.40 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1l2a h THR 378 CO 0.03 0.23 0.06 0.74 0.37 0.00 0.00 175.52 176.94 1l2a h THR 379 N 0.70 1.18 0.29 3.16 2.02 -0.79 -3.28 112.91 116.18 1l2a h THR 379 Ca 0.18 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1l2a h THR 379 Cb 0.14 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1l2a h THR 379 CO -0.02 0.17 -0.14 -1.28 0.37 0.00 0.00 175.52 174.62 1l2a h SER 380 N 0.11 -0.33 -0.60 4.18 0.87 -0.80 -1.26 113.55 115.72 1l2a h SER 380 Ca 0.06 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1l2a h SER 380 Cb 0.21 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 1l2a h SER 380 CO -0.00 -0.08 0.40 0.10 -0.53 0.00 0.00 176.83 176.72 1l2a h TYR 381 N -0.57 0.76 -0.51 2.24 -0.00 -1.46 0.38 116.97 117.81 1l2a h TYR 381 Ca -0.04 0.02 -0.08 0.00 -0.00 0.00 0.00 58.73 58.63 1l2a h TYR 381 Cb 0.42 -0.26 -0.02 0.00 -0.00 0.00 0.00 36.73 36.87 1l2a h TYR 381 CO -0.01 0.48 -0.00 0.87 -0.00 0.00 0.00 178.16 179.50 1l2a h LYS 382 N 0.82 0.91 -0.26 0.10 1.57 -1.59 -1.63 116.57 116.49 1l2a h LYS 382 Ca 0.22 -0.29 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1l2a h LYS 382 Cb -0.09 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1l2a h LYS 382 CO -0.05 0.93 0.13 -0.09 -0.57 0.00 0.00 179.45 179.81 1l2a h ARG 383 N 0.77 0.27 -0.77 3.15 9.65 0.12 -2.27 114.38 125.30 1l2a h ARG 383 Ca 0.14 -0.02 0.10 0.00 -1.10 0.00 0.00 59.98 59.11 1l2a h ARG 383 Cb 0.53 -0.06 -0.08 0.00 -1.39 0.00 0.00 29.97 28.97 1l2a h ARG 383 CO 0.03 0.18 0.40 1.96 2.80 0.00 0.00 179.97 185.34 1l2a h GLN 384 N 0.28 0.64 -0.67 0.20 4.20 -0.10 -1.63 115.11 118.04 1l2a h GLN 384 Ca 0.11 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1l2a h GLN 384 Cb 0.03 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1l2a h GLN 384 CO -0.07 0.42 0.44 -0.07 -0.67 0.00 0.00 178.83 178.88 1l2a h LEU 385 N 0.66 0.77 -0.82 1.46 3.38 -0.92 -2.05 115.31 117.80 1l2a h LEU 385 Ca 0.38 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.20 1l2a h LEU 385 Cb 0.41 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1l2a h LEU 385 CO -0.28 0.56 -0.56 -0.33 0.09 0.00 0.00 178.44 177.93 1l2a h GLU 386 N 0.91 0.09 0.13 1.13 5.08 -0.78 -2.99 114.58 118.16 1l2a h GLU 386 Ca 0.24 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1l2a h GLU 386 Cb -0.09 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1l2a h GLU 386 CO -0.05 0.62 -0.15 0.35 -1.00 0.00 0.00 179.01 178.79 1l2a h PHE 387 N 0.07 -0.38 -0.45 4.33 3.57 -0.60 0.45 116.94 123.92 1l2a h PHE 387 Ca -0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1l2a h PHE 387 Cb 1.01 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.83 1l2a h PHE 387 CO 0.01 -0.22 0.05 1.88 -2.23 0.00 0.00 178.31 177.79 1l2a h TYR 388 N -0.31 0.06 -0.82 0.41 0.05 -1.53 -1.35 116.97 113.48 1l2a h TYR 388 Ca 0.01 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.83 1l2a h TYR 388 Cb 0.31 0.04 -0.04 0.00 1.01 0.00 0.00 36.73 38.05 1l2a h TYR 388 CO -0.14 -0.05 0.54 1.96 -1.05 0.00 0.00 178.16 179.43 1l2a h GLN 389 N 0.17 1.09 -0.22 4.88 4.20 -1.28 -2.07 115.11 121.87 1l2a h GLN 389 Ca 0.23 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.75 1l2a h GLN 389 Cb 0.31 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1l2a h GLN 389 CO -0.33 0.72 -0.35 2.35 -0.67 0.00 0.00 178.83 180.55 1l2a h TRP 390 N 1.12 0.54 -0.04 2.96 7.01 -0.46 -2.80 115.95 124.28 1l2a h TRP 390 Ca 0.30 -0.14 0.00 0.00 2.11 0.00 0.00 58.89 61.16 1l2a h TRP 390 Cb -0.12 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 26.82 1l2a h TRP 390 CO -0.01 0.76 0.00 1.28 -2.79 0.00 0.00 178.44 177.67 1l2a n LEU 391 N -4.06 0.75 -4.67 0.65 4.77 -0.55 -4.79 117.00 109.10 1l2a n LEU 391 Ca -0.01 -0.28 -0.43 0.00 -0.03 0.00 0.00 56.01 55.26 1l2a n LEU 391 Cb 0.47 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1l2a n LEU 391 CO 0.43 0.14 1.04 -1.58 -1.33 0.00 0.00 177.39 176.09 1l2a s GLN 392 N -1.95 4.26 0.92 3.23 0.74 -0.94 -0.32 119.66 125.61 1l2a s GLN 392 Ca 0.37 1.64 -0.12 0.00 0.05 0.00 0.00 55.36 57.31 1l2a s GLN 392 Cb 0.18 -3.71 0.14 0.00 1.10 0.00 0.00 33.01 30.73 1l2a s GLN 392 CO 0.30 -0.64 1.09 -1.54 -0.55 0.00 0.00 175.29 173.95 1l2a s SER 393 N 1.81 3.24 0.39 6.67 1.04 -0.02 -4.55 113.70 122.27 1l2a s SER 393 Ca 0.54 1.44 0.17 0.00 0.48 0.00 0.00 55.95 58.59 1l2a s SER 393 Cb -0.22 -2.12 1.07 0.00 0.10 0.00 0.00 66.02 64.86 1l2a s SER 393 CO 0.16 -2.78 1.77 0.00 0.98 0.00 0.00 173.24 173.37 1l2a h ALA 394 N -1.65 2.18 0.00 5.32 0.00 -1.04 -2.60 119.26 121.48 1l2a h ALA 394 Ca -0.51 0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.23 1l2a h ALA 394 Cb 1.29 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1l2a h ALA 394 CO 0.55 -0.58 -1.38 0.93 0.00 0.00 0.00 179.25 178.77 1l2a h GLU 395 N 0.42 0.00 0.00 0.00 3.07 -1.90 -3.49 114.58 112.68 1l2a h GLU 395 Ca 0.59 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.45 1l2a h GLU 395 Cb 1.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.35 1l2a h GLU 395 CO -0.30 0.63 0.00 0.41 -1.40 0.00 0.00 179.01 178.34 1l2a n GLY 396 N 1.45 1.26 3.77 -3.84 0.00 -0.98 -4.40 105.19 102.45 1l2a n GLY 396 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1l2a n GLY 396 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1l2a s GLY 397 N -0.23 2.70 -0.28 -0.02 0.00 -1.26 -4.33 107.32 103.90 1l2a s GLY 397 Ca 0.00 0.93 -0.20 0.00 0.00 0.00 0.00 44.72 45.45 1l2a s GLY 397 CO 0.00 1.32 0.61 -0.42 0.00 0.00 0.00 173.10 174.60 1l2a s ILE 398 N -1.66 4.98 1.13 0.90 -1.09 -1.26 -0.85 121.20 123.35 1l2a s ILE 398 Ca 0.73 0.93 -0.15 0.00 -2.23 0.00 0.00 60.65 59.93 1l2a s ILE 398 Cb -0.28 -3.95 0.25 0.00 -1.58 0.00 0.00 42.46 36.91 1l2a s ILE 398 CO 0.31 -0.05 1.07 0.00 -1.23 0.00 0.00 174.94 175.04 1l2a s ALA 399 N 2.52 0.40 0.01 9.38 0.00 0.57 -4.98 121.76 129.65 1l2a s ALA 399 Ca 0.25 -0.53 -0.17 0.00 0.00 0.00 0.00 51.96 51.50 1l2a s ALA 399 Cb -0.15 -3.06 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 1l2a s ALA 399 CO 0.10 -3.41 0.94 0.78 0.00 0.00 0.00 175.76 174.17 1l2a h GLY 400 N -2.37 -0.65 0.00 0.00 0.00 -1.73 -3.42 103.07 94.91 1l2a h GLY 400 Ca -0.53 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1l2a h GLY 400 CO 0.48 -0.23 0.00 0.61 0.00 0.00 0.00 176.54 177.40 1l2a n GLY 401 N -0.41 -0.63 3.82 4.60 0.00 -0.94 0.14 105.19 111.77 1l2a n GLY 401 Ca -0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 1l2a n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l2a s ALA 402 N -1.00 -1.33 -0.00 4.61 0.00 -0.52 -0.72 121.76 122.80 1l2a s ALA 402 Ca 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 51.96 51.71 1l2a s ALA 402 Cb 0.00 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.92 1l2a s ALA 402 CO 0.00 -1.03 0.13 -0.08 0.00 0.00 0.00 175.76 174.78 1l2a s THR 403 N -3.77 0.08 -2.75 0.00 -1.32 0.60 -1.28 115.64 107.19 1l2a s THR 403 Ca 0.11 -0.63 0.22 0.00 -1.21 0.00 0.00 61.69 60.19 1l2a s THR 403 Cb -0.05 -0.41 0.21 0.00 -1.51 0.00 0.00 72.50 70.74 1l2a s THR 403 CO 0.05 -0.34 1.23 -3.20 -2.21 0.00 0.00 174.62 170.15 1l2a n ASN 404 N 1.62 2.94 -3.65 8.08 5.15 -0.38 0.01 115.26 129.03 1l2a n ASN 404 Ca -0.22 -1.94 -0.29 0.00 -0.60 0.00 0.00 54.58 51.53 1l2a n ASN 404 Cb 0.56 -0.03 -0.12 0.00 -0.53 0.00 0.00 39.78 39.65 1l2a n ASN 404 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1l2a s SER 405 N -1.82 3.35 0.19 1.20 0.15 -1.26 -4.68 113.70 110.83 1l2a s SER 405 Ca 0.28 -2.82 -0.32 0.00 0.70 0.00 0.00 55.95 53.79 1l2a s SER 405 Cb 0.19 -0.94 -0.11 0.00 -1.71 0.00 0.00 66.02 63.45 1l2a s SER 405 CO 0.28 -0.23 1.63 0.86 1.20 0.00 0.00 173.24 176.98 1l2a s TRP 406 N 0.14 2.99 0.00 3.44 -0.11 -1.26 -0.36 118.94 123.78 1l2a s TRP 406 Ca 0.21 0.53 0.00 0.00 1.22 0.00 0.00 56.10 58.06 1l2a s TRP 406 Cb -0.17 -4.01 0.00 0.00 -1.50 0.00 0.00 33.47 27.79 1l2a s TRP 406 CO -0.05 -3.77 0.00 0.09 -4.62 0.00 0.00 176.95 168.60 1l2a n ASN 407 N 3.86 -4.82 -0.46 5.86 3.02 -1.26 -2.24 115.26 119.23 1l2a n ASN 407 Ca 0.14 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.63 1l2a n ASN 407 Cb 0.37 -3.15 -0.02 0.00 -0.61 0.00 0.00 39.78 36.37 1l2a n ASN 407 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1l2a n GLY 408 N 0.57 0.78 0.51 7.41 0.00 0.51 -4.55 105.19 110.42 1l2a n GLY 408 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.26 1l2a n GLY 408 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1l2a n ARG 409 N -2.74 0.29 -3.68 1.61 1.74 -0.99 -2.30 116.66 110.59 1l2a n ARG 409 Ca -0.06 -1.45 -0.21 0.00 -0.77 0.00 0.00 57.85 55.36 1l2a n ARG 409 Cb 0.22 -0.68 0.04 0.00 -1.02 0.00 0.00 32.46 31.02 1l2a n ARG 409 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1l2a n TYR 410 N -0.26 -1.95 -1.62 -1.55 4.01 -1.16 -4.84 117.16 109.79 1l2a n TYR 410 Ca 0.04 0.85 -0.31 0.00 -0.16 0.00 0.00 57.90 58.32 1l2a n TYR 410 Cb 0.73 -4.45 0.04 0.00 -0.31 0.00 0.00 39.34 35.36 1l2a n TYR 410 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1l2a s GLU 411 N -5.94 3.03 0.25 -0.72 2.02 -0.95 -3.47 118.70 112.91 1l2a s GLU 411 Ca 0.02 0.94 -0.31 0.00 0.02 0.00 0.00 54.97 55.64 1l2a s GLU 411 Cb -0.01 -2.00 -0.13 0.00 0.10 0.00 0.00 34.13 32.09 1l2a s GLU 411 CO 0.81 -1.03 1.42 1.63 0.02 0.00 0.00 175.26 178.10 1l2a n LYS 412 N -3.06 2.08 -1.90 1.61 4.76 -1.24 -4.23 118.16 116.19 1l2a n LYS 412 Ca 0.07 0.74 -0.41 0.00 -2.87 0.00 0.00 58.31 55.84 1l2a n LYS 412 Cb 0.54 -2.40 -0.01 0.00 -1.84 0.00 0.00 35.03 31.31 1l2a n LYS 412 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1l2a s TYR 413 N -0.10 2.82 0.69 2.13 2.02 -1.26 -4.96 117.35 118.70 1l2a s TYR 413 Ca 0.67 1.05 -0.17 0.00 -0.37 0.00 0.00 57.07 58.25 1l2a s TYR 413 Cb -0.64 -3.93 -0.00 0.00 -0.40 0.00 0.00 41.96 36.99 1l2a s TYR 413 CO 0.50 -2.92 1.02 -2.30 -1.57 0.00 0.00 175.55 170.28 1l2a n PRO 414 N 1.55 0.65 -1.52 -1.71 -0.02 -1.26 -4.87 135.00 127.83 1l2a n PRO 414 Ca 0.05 0.28 -0.50 0.00 -2.02 0.00 0.00 63.50 61.30 1l2a n PRO 414 Cb 0.39 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 1l2a n PRO 414 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1l2a n ALA 415 N -2.31 -1.88 -0.99 3.55 0.00 -1.26 -1.86 120.51 115.76 1l2a n ALA 415 Ca 0.14 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1l2a n ALA 415 Cb 0.49 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1l2a n ALA 415 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l2a n GLY 416 N 1.83 0.54 3.71 0.00 0.00 -1.26 -5.00 105.19 105.02 1l2a n GLY 416 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1l2a n GLY 416 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l2a s THR 417 N -2.26 3.14 0.17 2.61 2.01 -0.78 -4.99 115.64 115.55 1l2a s THR 417 Ca 0.00 0.80 -0.30 0.00 0.31 0.00 0.00 61.69 62.50 1l2a s THR 417 Cb 0.00 -3.51 -0.07 0.00 0.01 0.00 0.00 72.50 68.92 1l2a s THR 417 CO 0.00 0.06 1.00 -0.55 -0.69 0.00 0.00 174.62 174.44 1l2a s SER 418 N 1.21 7.46 0.22 3.53 0.15 -1.26 -4.93 113.70 120.08 1l2a s SER 418 Ca 0.66 1.94 0.08 0.00 0.70 0.00 0.00 55.95 59.33 1l2a s SER 418 Cb -0.38 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.28 1l2a s SER 418 CO 0.30 -0.06 -0.14 0.42 1.20 0.00 0.00 173.24 174.97 1l2a s THR 419 N -0.43 1.76 -0.15 6.45 -4.23 -1.26 -0.50 115.64 117.29 1l2a s THR 419 Ca 0.46 -2.21 -0.03 0.00 -1.18 0.00 0.00 61.69 58.73 1l2a s THR 419 Cb -0.26 -2.10 0.05 0.00 1.34 0.00 0.00 72.50 71.53 1l2a s THR 419 CO 0.32 -0.56 0.04 0.12 -0.54 0.00 0.00 174.62 174.00 1l2a s PHE 420 N -2.96 0.73 -1.65 3.99 5.36 -0.67 -0.68 117.98 122.10 1l2a s PHE 420 Ca 0.24 -0.51 -0.11 0.00 -0.96 0.00 0.00 56.93 55.59 1l2a s PHE 420 Cb -0.00 -0.88 0.11 0.00 -0.34 0.00 0.00 43.02 41.90 1l2a s PHE 420 CO 0.08 -0.49 0.44 0.66 -1.46 0.00 0.00 175.22 174.44 1l2a n TYR 421 N 5.13 -1.43 0.00 10.12 4.02 -1.26 -0.28 117.16 133.47 1l2a n TYR 421 Ca -0.08 0.70 0.00 0.00 -0.01 0.00 0.00 57.90 58.52 1l2a n TYR 421 Cb 0.48 -2.76 0.00 0.00 -0.02 0.00 0.00 39.34 37.05 1l2a n TYR 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1l2a n GLY 422 N -1.76 1.88 3.84 2.72 0.00 -1.26 -4.71 105.19 105.89 1l2a n GLY 422 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1l2a n GLY 422 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1l2a s MET 423 N -0.65 4.03 0.04 1.61 -1.94 0.62 -3.87 119.30 119.13 1l2a s MET 423 Ca 0.00 0.57 -0.30 0.00 -1.71 0.00 0.00 55.69 54.25 1l2a s MET 423 Cb 0.00 -2.88 -0.04 0.00 2.01 0.00 0.00 34.83 33.92 1l2a s MET 423 CO 0.00 0.44 0.99 0.00 -0.01 0.00 0.00 175.02 176.44 1l2a s ALA 424 N -1.52 3.20 0.29 3.03 0.00 0.10 -1.67 121.76 125.19 1l2a s ALA 424 Ca 0.40 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 1l2a s ALA 424 Cb -0.15 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.52 1l2a s ALA 424 CO 0.20 -0.18 1.54 0.98 0.00 0.00 0.00 175.76 178.29 1l2a n TYR 425 N 3.53 2.70 -3.84 0.00 9.36 0.34 -0.29 117.16 128.95 1l2a n TYR 425 Ca 0.05 0.31 -0.21 0.00 3.32 0.00 0.00 57.90 61.38 1l2a n TYR 425 Cb 0.50 -2.56 -0.17 0.00 -0.63 0.00 0.00 39.34 36.48 1l2a n TYR 425 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1l2a s VAL 426 N -0.13 0.29 0.36 2.97 -7.23 0.11 -4.85 120.40 111.91 1l2a s VAL 426 Ca 0.64 0.12 0.06 0.00 -1.81 0.00 0.00 61.98 60.99 1l2a s VAL 426 Cb -0.53 -0.43 0.30 0.00 0.56 0.00 0.00 36.38 36.28 1l2a s VAL 426 CO 0.50 0.22 1.94 -0.65 -0.31 0.00 0.00 175.10 176.80 1l2a h PRO 427 N 7.95 0.74 -2.49 4.82 0.10 -1.94 -2.50 132.00 138.69 1l2a h PRO 427 Ca -0.26 -0.04 -0.59 0.00 0.10 0.00 0.00 66.00 65.20 1l2a h PRO 427 Cb 1.13 -0.17 -0.39 0.00 0.10 0.00 0.00 31.00 31.67 1l2a h PRO 427 CO 0.32 0.49 -0.88 0.72 0.10 0.00 0.00 178.00 178.75 1l2a n HIS 428 N -4.49 0.33 -1.63 0.65 8.25 -1.26 -3.54 115.22 113.53 1l2a n HIS 428 Ca 0.12 -3.61 -0.46 0.00 -0.26 0.00 0.00 57.72 53.51 1l2a n HIS 428 Cb 0.27 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 1l2a n HIS 428 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1l2a n PRO 429 N 2.38 1.61 0.00 -0.41 -0.02 -1.25 -3.83 135.00 133.48 1l2a n PRO 429 Ca 0.27 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1l2a n PRO 429 Cb 0.45 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1l2a n PRO 429 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1l2a n VAL 430 N 1.48 0.00 -5.08 -1.45 0.31 -1.26 -4.59 118.33 107.73 1l2a n VAL 430 Ca 0.12 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.13 1l2a n VAL 430 Cb 0.29 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.07 1l2a n VAL 430 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1l2a s TYR 431 N 0.00 2.57 -0.62 3.52 2.02 -1.25 -3.68 117.35 119.91 1l2a s TYR 431 Ca 0.00 -0.53 0.16 0.00 -0.37 0.00 0.00 57.07 56.33 1l2a s TYR 431 Cb 0.00 -1.64 -0.19 0.00 -0.40 0.00 0.00 41.96 39.73 1l2a s TYR 431 CO 0.00 -0.09 0.62 0.00 -1.57 0.00 0.00 175.55 174.51 1l2a n ALA 432 N 2.82 3.81 -3.50 3.71 0.00 0.21 -1.71 120.51 125.85 1l2a n ALA 432 Ca -0.17 -0.44 -0.29 0.00 0.00 0.00 0.00 53.44 52.54 1l2a n ALA 432 Cb 0.52 -0.57 -0.13 0.00 0.00 0.00 0.00 19.45 19.27 1l2a n ALA 432 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1l2a s ASP 433 N -2.74 3.20 0.87 0.00 2.15 -1.25 -2.32 116.67 116.58 1l2a s ASP 433 Ca 0.04 -1.90 -0.12 0.00 0.43 0.00 0.00 52.55 50.99 1l2a s ASP 433 Cb 0.12 -0.42 0.11 0.00 -0.30 0.00 0.00 42.92 42.43 1l2a s ASP 433 CO 0.65 -0.35 1.14 -2.16 -0.17 0.00 0.00 175.17 174.29 1l2a s PRO 434 N 1.38 1.50 0.17 4.34 0.04 -1.26 -4.50 135.00 136.68 1l2a s PRO 434 Ca 0.15 0.28 -0.34 0.00 0.04 0.00 0.00 61.00 61.14 1l2a s PRO 434 Cb -0.21 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.31 1l2a s PRO 434 CO -0.12 -1.95 1.47 0.41 0.04 0.00 0.00 177.00 176.86 1l2a n GLY 435 N -2.52 0.86 0.15 0.56 0.00 -0.98 -4.85 105.19 98.41 1l2a n GLY 435 Ca 0.07 0.61 0.10 0.00 0.00 0.00 0.00 46.02 46.80 1l2a n GLY 435 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1l2a n SER 436 N 2.85 0.51 -0.91 1.61 3.41 -0.69 -1.17 113.62 119.22 1l2a n SER 436 Ca 0.16 0.73 0.03 0.00 -0.26 0.00 0.00 58.87 59.53 1l2a n SER 436 Cb 0.28 -0.79 0.22 0.00 -0.26 0.00 0.00 64.21 63.65 1l2a n SER 436 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1l2a n ASN 437 N -2.19 3.03 0.09 4.04 5.15 -1.26 -4.46 115.26 119.67 1l2a n ASN 437 Ca -0.01 -3.39 -0.19 0.00 -0.60 0.00 0.00 54.58 50.39 1l2a n ASN 437 Cb 0.04 -0.57 -0.11 0.00 -0.53 0.00 0.00 39.78 38.61 1l2a n ASN 437 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1l2a h GLN 438 N 1.22 0.48 -6.24 1.20 4.15 -1.37 -3.43 115.11 111.11 1l2a h GLN 438 Ca 0.10 -0.65 -0.55 0.00 0.77 0.00 0.00 58.65 58.32 1l2a h GLN 438 Cb 1.48 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 29.38 1l2a h GLN 438 CO 0.27 1.28 1.06 -0.46 -1.93 0.00 0.00 178.83 179.05 1l2a s TRP 439 N -2.95 2.13 0.62 3.99 -0.00 -1.26 -0.20 118.94 121.28 1l2a s TRP 439 Ca -0.07 0.36 0.34 0.00 -0.00 0.00 0.00 56.10 56.73 1l2a s TRP 439 Cb 0.07 -3.85 1.95 0.00 -0.00 0.00 0.00 33.47 31.64 1l2a s TRP 439 CO 0.91 -3.41 2.21 0.35 -0.00 0.00 0.00 176.95 177.00 1l2a h PHE 440 N 9.45 0.00 -0.48 5.86 3.57 -1.50 -3.18 116.94 130.65 1l2a h PHE 440 Ca -0.37 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.17 1l2a h PHE 440 Cb 1.16 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 1l2a h PHE 440 CO 0.87 0.00 0.32 0.78 -2.23 0.00 0.00 178.31 178.06 1l2a h GLY 441 N 0.00 0.58 1.61 2.40 0.00 -1.88 -0.95 103.07 104.83 1l2a h GLY 441 Ca 0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 1l2a h GLY 441 CO -0.00 0.17 -0.04 0.74 0.00 0.00 0.00 176.54 177.41 1l2a h PHE 442 N 0.50 0.50 0.05 5.60 0.05 -1.95 -1.25 116.94 120.45 1l2a h PHE 442 Ca 0.20 -0.06 0.02 0.00 3.82 0.00 0.00 57.97 61.95 1l2a h PHE 442 Cb 0.17 -0.14 -0.02 0.00 2.00 0.00 0.00 35.95 37.95 1l2a h PHE 442 CO -0.00 0.53 -0.15 1.96 -0.18 0.00 0.00 178.31 180.46 1l2a h GLN 443 N 0.46 -0.27 0.41 1.51 1.08 -1.39 -0.53 115.11 116.38 1l2a h GLN 443 Ca 0.10 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 1l2a h GLN 443 Cb 0.36 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1l2a h GLN 443 CO 0.02 -0.18 -0.20 0.00 -0.95 0.00 0.00 178.83 177.52 1l2a h ALA 444 N 0.62 -0.55 -0.83 3.87 0.00 -1.53 -1.37 119.26 119.47 1l2a h ALA 444 Ca 0.03 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.93 1l2a h ALA 444 Cb 0.31 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 1l2a h ALA 444 CO -0.11 -0.72 0.39 -1.49 0.00 0.00 0.00 179.25 177.32 1l2a h TRP 445 N -0.72 0.68 0.13 0.00 4.06 -1.12 -0.22 115.95 118.76 1l2a h TRP 445 Ca -0.06 0.04 -0.35 0.00 2.06 0.00 0.00 58.89 60.58 1l2a h TRP 445 Cb 0.51 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 1l2a h TRP 445 CO -0.01 0.12 -1.90 1.03 -3.56 0.00 0.00 178.44 174.12 1l2a h SER 446 N 0.54 0.43 0.66 -3.49 0.87 -1.14 -3.31 113.55 108.12 1l2a h SER 446 Ca 0.46 -0.86 -0.07 0.00 -1.23 0.00 0.00 61.79 60.10 1l2a h SER 446 Cb 0.69 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1l2a h SER 446 CO -0.39 1.76 -0.32 0.24 -0.53 0.00 0.00 176.83 177.59 1l2a h MET 447 N 0.07 0.00 -0.97 2.24 2.86 -1.19 -2.72 114.93 115.23 1l2a h MET 447 Ca -0.39 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.37 1l2a h MET 447 Cb 2.05 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 33.63 1l2a h MET 447 CO 0.11 0.32 0.62 0.37 1.06 0.00 0.00 176.91 179.38 1l2a h GLN 448 N 0.00 0.91 -0.29 1.72 -0.00 -1.12 -0.63 115.11 115.70 1l2a h GLN 448 Ca -0.00 -0.05 -0.12 0.00 -0.00 0.00 0.00 58.65 58.47 1l2a h GLN 448 Cb 0.73 -0.21 -0.01 0.00 0.00 0.00 0.00 27.48 27.99 1l2a h GLN 448 CO 0.04 0.60 -0.31 0.00 0.00 0.00 0.00 178.83 179.16 1l2a h ARG 449 N 0.94 0.61 -0.24 1.69 3.08 -1.59 -2.03 114.38 116.84 1l2a h ARG 449 Ca 0.47 -0.27 -0.10 0.00 0.07 0.00 0.00 59.98 60.16 1l2a h ARG 449 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1l2a h ARG 449 CO -0.24 0.85 -0.28 0.28 -1.07 0.00 0.00 179.97 179.51 1l2a h VAL 450 N 0.52 1.27 -0.32 2.04 2.07 -1.21 -1.71 116.25 118.92 1l2a h VAL 450 Ca 0.06 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.23 1l2a h VAL 450 Cb 0.79 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1l2a h VAL 450 CO 0.06 0.41 0.02 0.24 0.02 0.00 0.00 177.57 178.33 1l2a h MET 451 N 0.40 0.54 -0.45 1.57 2.86 -0.66 -1.48 114.93 117.72 1l2a h MET 451 Ca 0.06 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1l2a h MET 451 Cb 0.70 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1l2a h MET 451 CO 0.05 0.66 0.26 0.93 1.06 0.00 0.00 176.91 179.87 1l2a h GLU 452 N 0.35 0.60 -0.31 1.72 5.08 -1.15 -1.13 114.58 119.75 1l2a h GLU 452 Ca 0.09 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1l2a h GLU 452 Cb 0.40 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1l2a h GLU 452 CO 0.01 0.43 0.05 -0.92 -1.00 0.00 0.00 179.01 177.59 1l2a h TYR 453 N 0.61 0.54 -0.67 4.33 3.20 -0.94 -2.45 116.97 121.59 1l2a h TYR 453 Ca 0.16 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1l2a h TYR 453 Cb -0.00 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 1l2a h TYR 453 CO 0.00 0.59 0.34 -0.92 -1.64 0.00 0.00 178.16 176.53 1l2a h TYR 454 N 0.34 0.95 -0.24 -3.82 3.20 -0.82 -2.13 116.97 114.45 1l2a h TYR 454 Ca 0.09 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.97 1l2a h TYR 454 Cb 0.34 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 1l2a h TYR 454 CO 0.02 0.70 -0.06 1.25 -1.64 0.00 0.00 178.16 178.43 1l2a h LEU 455 N 0.93 -0.22 -0.16 2.82 6.46 -1.04 0.27 115.31 124.36 1l2a h LEU 455 Ca 0.23 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 1l2a h LEU 455 Cb 0.09 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1l2a h LEU 455 CO -0.03 -0.08 -0.16 -0.62 -0.62 0.00 0.00 178.44 176.93 1l2a n GLU 456 N -5.22 0.45 0.00 1.25 -0.58 -0.94 -4.28 120.64 111.33 1l2a n GLU 456 Ca -0.02 -0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 1l2a n GLU 456 Cb 0.14 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 1l2a n GLU 456 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1l2a n THR 457 N -1.13 0.00 -1.16 2.62 -2.24 -0.81 -5.00 114.28 106.54 1l2a n THR 457 Ca 0.11 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1l2a n THR 457 Cb 0.30 -0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 67.90 1l2a n THR 457 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1l2a n GLY 458 N 2.49 0.76 3.50 3.38 0.00 0.92 -4.91 105.19 111.33 1l2a n GLY 458 Ca 0.00 -0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 1l2a n GLY 458 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1l2a n ASP 459 N 0.01 2.09 0.11 1.61 -0.08 -1.26 -4.81 116.55 114.23 1l2a n ASP 459 Ca -0.06 0.11 0.11 0.00 -1.51 0.00 0.00 54.79 53.45 1l2a n ASP 459 Cb 0.29 -1.34 0.46 0.00 2.34 0.00 0.00 41.12 42.86 1l2a n ASP 459 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1l2a n SER 460 N 11.80 0.57 0.00 1.67 3.41 -1.26 -2.89 113.62 126.91 1l2a n SER 460 Ca 0.42 0.63 0.10 0.00 -0.26 0.00 0.00 58.87 59.76 1l2a n SER 460 Cb 0.32 -0.75 0.48 0.00 -0.26 0.00 0.00 64.21 63.99 1l2a n SER 460 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1l2a n SER 461 N -2.11 0.00 -0.41 4.04 3.41 -1.26 -2.65 113.62 114.64 1l2a n SER 461 Ca 0.03 0.25 0.07 0.00 -0.26 0.00 0.00 58.87 58.96 1l2a n SER 461 Cb 0.24 -0.40 0.02 0.00 -0.26 0.00 0.00 64.21 63.82 1l2a n SER 461 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1l2a n VAL 462 N -1.40 0.00 0.15 -3.33 3.14 -1.14 -4.69 118.33 111.06 1l2a n VAL 462 Ca 0.07 -0.41 -0.14 0.00 -2.96 0.00 0.00 64.34 60.90 1l2a n VAL 462 Cb 0.20 1.21 -0.08 0.00 -1.06 0.00 0.00 33.84 34.12 1l2a n VAL 462 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1l2a h LYS 463 N 2.00 -0.29 -0.73 1.45 1.57 -1.68 -2.08 116.57 116.81 1l2a h LYS 463 Ca 0.00 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1l2a h LYS 463 Cb 0.51 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1l2a h LYS 463 CO 0.00 -0.18 0.46 -0.91 -0.57 0.00 0.00 179.45 178.25 1l2a h ASN 464 N -0.32 0.76 -0.33 0.86 2.35 -1.83 -1.00 115.58 116.07 1l2a h ASN 464 Ca -0.03 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1l2a h ASN 464 Cb 0.24 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1l2a h ASN 464 CO 0.05 0.53 0.14 0.25 -1.65 0.00 0.00 177.43 176.75 1l2a h LEU 465 N 0.90 0.19 0.10 1.61 5.85 -1.85 -2.30 115.31 119.81 1l2a h LEU 465 Ca 0.29 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1l2a h LEU 465 Cb 0.00 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1l2a h LEU 465 CO -0.10 0.15 -0.05 0.40 -0.34 0.00 0.00 178.44 178.49 1l2a h ILE 466 N 0.30 0.99 -0.15 4.05 2.04 -0.83 -2.19 117.51 121.72 1l2a h ILE 466 Ca 0.14 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1l2a h ILE 466 Cb 0.08 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1l2a h ILE 466 CO -0.12 0.08 0.08 0.11 0.00 0.00 0.00 178.15 178.30 1l2a h LYS 467 N -0.28 0.22 -0.89 2.37 1.57 -1.20 0.17 116.57 118.52 1l2a h LYS 467 Ca -0.01 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1l2a h LYS 467 Cb 0.23 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 1l2a h LYS 467 CO 0.02 0.25 0.58 -0.22 -0.57 0.00 0.00 179.45 179.51 1l2a h LYS 468 N 0.13 0.92 -0.20 3.15 3.64 -1.50 0.22 116.57 122.93 1l2a h LYS 468 Ca 0.05 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 1l2a h LYS 468 Cb 0.10 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1l2a h LYS 468 CO -0.01 0.61 -0.61 2.35 -2.27 0.00 0.00 179.45 179.52 1l2a h TRP 469 N 0.95 0.87 -0.32 1.91 7.01 -0.66 -2.53 115.95 123.18 1l2a h TRP 469 Ca 0.40 -0.33 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 1l2a h TRP 469 Cb 0.31 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 1l2a h TRP 469 CO -0.00 1.12 0.07 0.28 -2.79 0.00 0.00 178.44 177.12 1l2a h VAL 470 N 0.51 1.22 -0.26 2.65 2.07 -0.06 -1.80 116.25 120.58 1l2a h VAL 470 Ca -0.01 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 66.82 1l2a h VAL 470 Cb 1.20 1.11 -0.07 0.00 -1.52 0.00 0.00 31.29 32.01 1l2a h VAL 470 CO 0.12 0.25 -0.18 0.44 0.02 0.00 0.00 177.57 178.22 1l2a h ASP 471 N 0.36 -0.59 0.00 0.57 3.32 -0.58 0.48 116.42 119.98 1l2a h ASP 471 Ca 0.10 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1l2a h ASP 471 Cb 0.31 0.30 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1l2a h ASP 471 CO 0.00 -0.22 -0.15 -0.25 -1.72 0.00 0.00 179.24 176.90 1l2a h TRP 472 N -0.17 -0.40 -0.21 4.55 7.01 -1.34 -1.55 115.95 123.84 1l2a h TRP 472 Ca 0.14 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.11 1l2a h TRP 472 Cb 0.38 0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 1l2a h TRP 472 CO -0.35 -0.23 -0.06 0.28 -2.79 0.00 0.00 178.44 175.29 1l2a h VAL 473 N -0.26 1.17 -0.22 2.65 2.07 -1.02 -2.68 116.25 117.96 1l2a h VAL 473 Ca 0.05 -0.71 -0.15 0.00 0.82 0.00 0.00 66.70 66.71 1l2a h VAL 473 Cb 0.32 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1l2a h VAL 473 CO -0.15 0.23 -0.48 0.24 0.02 0.00 0.00 177.57 177.43 1l2a h MET 474 N 0.31 0.60 0.00 1.57 2.86 -0.37 -2.57 114.93 117.32 1l2a h MET 474 Ca 0.07 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1l2a h MET 474 Cb 0.31 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1l2a h MET 474 CO 0.01 0.95 0.00 -1.13 1.06 0.00 0.00 176.91 177.80 1l2a n SER 475 N -3.99 0.00 0.00 1.22 3.41 -0.63 -3.80 113.62 109.82 1l2a n SER 475 Ca -0.03 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 1l2a n SER 475 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1l2a n SER 475 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1l2a n GLU 476 N -0.79 0.52 -2.11 4.33 -0.58 -0.99 -5.01 120.64 116.02 1l2a n GLU 476 Ca 0.13 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.45 1l2a n GLU 476 Cb 0.06 -0.98 -0.03 0.00 -0.57 0.00 0.00 31.44 29.92 1l2a n GLU 476 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1l2a s ILE 477 N -1.93 2.94 -0.29 -3.67 1.01 -1.09 -4.47 121.20 113.70 1l2a s ILE 477 Ca 0.00 0.77 -0.09 0.00 0.00 0.00 0.00 60.65 61.33 1l2a s ILE 477 Cb 0.00 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 1l2a s ILE 477 CO 0.00 0.11 0.14 -0.54 0.00 0.00 0.00 174.94 174.65 1l2a s LYS 478 N -0.10 3.48 -0.23 2.79 -0.14 0.34 -5.00 119.74 120.88 1l2a s LYS 478 Ca 0.59 -0.62 -0.05 0.00 -1.36 0.00 0.00 55.97 54.53 1l2a s LYS 478 Cb -0.39 -3.52 -0.02 0.00 -1.68 0.00 0.00 37.83 32.22 1l2a s LYS 478 CO 0.40 -0.34 0.01 -0.51 -0.76 0.00 0.00 175.35 174.15 1l2a s LEU 479 N 1.63 3.15 0.04 3.17 1.43 -1.26 -1.05 118.68 125.79 1l2a s LEU 479 Ca 0.05 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1l2a s LEU 479 Cb -0.16 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1l2a s LEU 479 CO 0.06 -0.01 0.11 -0.31 0.23 0.00 0.00 176.35 176.43 1l2a s TYR 480 N 1.43 3.30 0.49 0.29 1.51 -0.67 -5.00 117.35 118.71 1l2a s TYR 480 Ca 0.05 0.17 0.24 0.00 -1.01 0.00 0.00 57.07 56.53 1l2a s TYR 480 Cb -0.15 -1.70 1.31 0.00 -0.11 0.00 0.00 41.96 41.31 1l2a s TYR 480 CO 0.00 0.55 1.92 -0.44 -1.11 0.00 0.00 175.55 176.47 1l2a h ASP 481 N 3.62 0.14 -0.01 2.29 3.32 -2.00 -0.38 116.42 123.41 1l2a h ASP 481 Ca -0.48 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1l2a h ASP 481 Cb 1.17 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1l2a h ASP 481 CO 0.66 0.06 0.00 -0.90 -1.72 0.00 0.00 179.24 177.34 1l2a n ASP 482 N -4.38 0.07 0.00 6.45 5.68 -1.26 -4.87 116.55 118.24 1l2a n ASP 482 Ca 0.15 -1.54 0.00 0.00 -0.50 0.00 0.00 54.79 52.91 1l2a n ASP 482 Cb 0.74 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.71 1l2a n ASP 482 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1l2a n GLY 483 N 0.75 0.60 4.01 6.12 0.00 -0.15 -5.01 105.19 111.51 1l2a n GLY 483 Ca 0.11 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 1l2a n GLY 483 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1l2a s THR 484 N -2.00 2.94 0.15 2.61 -4.23 -1.25 -4.75 115.64 109.10 1l2a s THR 484 Ca 0.00 -0.99 -0.08 0.00 -1.18 0.00 0.00 61.69 59.43 1l2a s THR 484 Cb 0.00 -2.94 -0.01 0.00 1.34 0.00 0.00 72.50 70.89 1l2a s THR 484 CO 0.00 0.00 0.26 0.72 -0.54 0.00 0.00 174.62 175.06 1l2a s PHE 485 N -2.38 0.39 -0.01 3.99 -0.12 -1.26 -1.66 117.98 116.92 1l2a s PHE 485 Ca 0.56 -0.77 -0.06 0.00 -0.05 0.00 0.00 56.93 56.61 1l2a s PHE 485 Cb -0.10 -0.08 0.00 0.00 -0.63 0.00 0.00 43.02 42.21 1l2a s PHE 485 CO 0.34 -0.68 0.12 0.00 -0.05 0.00 0.00 175.22 174.94 1l2a s ALA 486 N -3.96 -0.28 0.15 1.99 0.00 -0.21 -4.78 121.76 114.67 1l2a s ALA 486 Ca 0.16 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.14 1l2a s ALA 486 Cb 0.04 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1l2a s ALA 486 CO -0.01 -0.16 -0.15 0.96 0.00 0.00 0.00 175.76 176.39 1l2a s ILE 487 N -0.99 1.53 0.21 0.00 -4.36 0.12 -0.50 121.20 117.20 1l2a s ILE 487 Ca -0.11 -1.89 -0.30 0.00 -0.26 0.00 0.00 60.65 58.09 1l2a s ILE 487 Cb -0.06 -1.74 -0.16 0.00 1.25 0.00 0.00 42.46 41.76 1l2a s ILE 487 CO 0.01 -0.45 0.92 -2.65 0.24 0.00 0.00 174.94 173.01 1l2a n PRO 488 N 0.24 0.81 0.04 0.37 -0.02 -1.26 -0.87 135.00 134.32 1l2a n PRO 488 Ca -0.13 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1l2a n PRO 488 Cb 0.58 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1l2a n PRO 488 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1l2a n SER 489 N 1.70 0.77 -4.57 2.55 2.88 -0.21 -4.70 113.62 112.04 1l2a n SER 489 Ca 0.14 0.13 -0.34 0.00 -1.33 0.00 0.00 58.87 57.47 1l2a n SER 489 Cb 0.26 -0.21 -0.11 0.00 -0.75 0.00 0.00 64.21 63.39 1l2a n SER 489 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1l2a s ASP 490 N -5.68 4.70 0.10 -3.46 1.01 -1.11 -1.35 116.67 110.88 1l2a s ASP 490 Ca 0.00 -0.03 0.08 0.00 0.71 0.00 0.00 52.55 53.31 1l2a s ASP 490 Cb 0.00 -1.31 -0.04 0.00 1.01 0.00 0.00 42.92 42.58 1l2a s ASP 490 CO 0.00 0.33 -0.15 -0.76 0.21 0.00 0.00 175.17 174.79 1l2a s LEU 491 N -0.59 2.80 -0.06 1.23 1.02 0.73 -0.72 118.68 123.09 1l2a s LEU 491 Ca 0.09 -0.49 0.02 0.00 0.02 0.00 0.00 54.13 53.77 1l2a s LEU 491 Cb -0.12 -1.63 0.01 0.00 0.02 0.00 0.00 46.19 44.47 1l2a s LEU 491 CO 0.02 0.19 -0.12 -0.70 0.02 0.00 0.00 176.35 175.76 1l2a s GLU 492 N -2.08 1.60 0.10 1.70 2.12 0.48 -4.50 118.70 118.12 1l2a s GLU 492 Ca 0.19 -0.39 0.07 0.00 0.36 0.00 0.00 54.97 55.20 1l2a s GLU 492 Cb -0.11 -1.34 -0.04 0.00 0.26 0.00 0.00 34.13 32.90 1l2a s GLU 492 CO 0.11 0.03 -0.12 -1.58 -0.54 0.00 0.00 175.26 173.16 1l2a s TRP 493 N 0.63 2.70 0.01 5.30 0.52 -1.26 -0.55 118.94 126.30 1l2a s TRP 493 Ca -0.13 -0.18 -0.11 0.00 0.02 0.00 0.00 56.10 55.70 1l2a s TRP 493 Cb -0.15 -1.42 0.01 0.00 -1.15 0.00 0.00 33.47 30.76 1l2a s TRP 493 CO 0.03 0.41 0.23 -1.54 0.02 0.00 0.00 176.95 176.10 1l2a s SER 494 N -2.17 -0.06 0.15 2.95 1.04 -0.27 -5.01 113.70 110.34 1l2a s SER 494 Ca 0.20 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1l2a s SER 494 Cb -0.11 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1l2a s SER 494 CO 0.13 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1l2a n GLY 495 N 1.08 -1.62 3.03 7.32 0.00 -1.26 -1.33 105.19 112.39 1l2a n GLY 495 Ca -0.21 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 1l2a n GLY 495 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1l2a s GLN 496 N 0.00 0.36 0.68 1.61 -0.21 -1.22 -4.86 119.66 116.02 1l2a s GLN 496 Ca 0.00 -0.47 -0.15 0.00 0.02 0.00 0.00 55.36 54.75 1l2a s GLN 496 Cb 0.00 0.14 0.01 0.00 1.00 0.00 0.00 33.01 34.16 1l2a s GLN 496 CO 0.00 -0.07 1.15 -1.25 -2.12 0.00 0.00 175.29 173.00 1l2a s PRO 497 N -1.31 2.54 0.89 2.91 0.04 -1.26 -3.85 135.00 134.96 1l2a s PRO 497 Ca -0.14 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 1l2a s PRO 497 Cb -0.08 -1.90 0.13 0.00 0.04 0.00 0.00 34.50 32.69 1l2a s PRO 497 CO 0.00 -1.48 1.11 -0.51 0.04 0.00 0.00 177.00 176.16 1l2a s ASP 498 N -2.27 3.27 0.15 6.66 1.01 -1.26 -4.73 116.67 119.49 1l2a s ASP 498 Ca 0.71 1.93 -0.31 0.00 0.71 0.00 0.00 52.55 55.59 1l2a s ASP 498 Cb -0.25 -2.48 -0.10 0.00 1.01 0.00 0.00 42.92 41.11 1l2a s ASP 498 CO 0.42 -2.84 1.56 -0.89 0.21 0.00 0.00 175.17 173.63 1l2a s THR 499 N -2.74 2.75 0.12 -1.27 2.01 -1.26 -4.75 115.64 110.49 1l2a s THR 499 Ca 0.65 0.50 -0.31 0.00 0.31 0.00 0.00 61.69 62.84 1l2a s THR 499 Cb -0.21 -3.32 -0.10 0.00 0.01 0.00 0.00 72.50 68.88 1l2a s THR 499 CO 0.58 0.03 1.80 0.86 -0.69 0.00 0.00 174.62 177.21 1l2a s TRP 500 N 1.36 2.21 0.00 4.92 -0.00 0.14 -4.83 118.94 122.75 1l2a s TRP 500 Ca 0.70 0.03 0.00 0.00 -0.00 0.00 0.00 56.10 56.83 1l2a s TRP 500 Cb -0.42 -4.15 0.00 0.00 -0.00 0.00 0.00 33.47 28.89 1l2a s TRP 500 CO 0.31 -4.72 0.45 2.41 -0.00 0.00 0.00 176.95 175.40 1l2a n THR 501 N 4.70 0.13 0.00 5.86 -1.04 -1.26 -4.75 114.28 117.91 1l2a n THR 501 Ca 0.17 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1l2a n THR 501 Cb 0.38 1.17 0.00 0.00 -1.82 0.00 0.00 70.33 70.06 1l2a n THR 501 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1l2a n GLY 502 N -0.06 0.66 3.15 3.41 0.00 -1.26 -5.07 105.19 106.01 1l2a n GLY 502 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1l2a n GLY 502 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l2a s THR 503 N -2.00 -0.01 -0.19 2.61 2.01 -1.26 -5.13 115.64 111.68 1l2a s THR 503 Ca 0.00 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.73 1l2a s THR 503 Cb 0.00 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 1l2a s THR 503 CO 0.00 0.01 1.23 -0.47 -0.69 0.00 0.00 174.62 174.70 1l2a s TYR 504 N 0.32 2.91 -1.16 4.92 5.04 -1.26 -4.91 117.35 123.20 1l2a s TYR 504 Ca -0.01 1.06 0.27 0.00 -2.44 0.00 0.00 57.07 55.95 1l2a s TYR 504 Cb -0.03 -3.50 0.86 0.00 0.35 0.00 0.00 41.96 39.63 1l2a s TYR 504 CO -0.01 -1.52 1.65 0.25 -1.34 0.00 0.00 175.55 174.58 1l2a n THR 505 N 5.44 0.00 -0.13 4.34 -2.24 -1.26 -4.93 114.28 115.50 1l2a n THR 505 Ca 0.14 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1l2a n THR 505 Cb 0.45 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1l2a n THR 505 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1l2a n GLY 506 N 1.45 0.91 3.89 3.38 0.00 -1.26 -4.68 105.19 108.88 1l2a n GLY 506 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1l2a n GLY 506 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1l2a n ASN 507 N 0.00 -3.16 0.19 1.61 3.02 -1.26 -3.90 115.26 111.75 1l2a n ASN 507 Ca 0.00 -0.93 0.14 0.00 -0.03 0.00 0.00 54.58 53.76 1l2a n ASN 507 Cb 0.00 -1.18 0.63 0.00 -0.61 0.00 0.00 39.78 38.62 1l2a n ASN 507 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1l2a h PRO 508 N -0.93 0.00 -0.53 3.52 0.13 -1.92 -1.35 132.00 130.93 1l2a h PRO 508 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1l2a h PRO 508 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1l2a h PRO 508 CO 0.36 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.22 1l2a n ASN 509 N -2.47 3.46 -4.43 1.44 4.13 -1.26 -4.85 115.26 111.28 1l2a n ASN 509 Ca 0.00 -1.98 -0.38 0.00 1.68 0.00 0.00 54.58 53.90 1l2a n ASN 509 Cb 0.17 -0.35 -0.12 0.00 -1.54 0.00 0.00 39.78 37.94 1l2a n ASN 509 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1l2a s LEU 510 N -1.05 4.10 -0.02 3.41 2.96 -0.51 -3.39 118.68 124.18 1l2a s LEU 510 Ca 0.37 -0.55 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1l2a s LEU 510 Cb 0.20 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 1l2a s LEU 510 CO 0.26 -0.20 -0.18 -1.00 -1.32 0.00 0.00 176.35 173.91 1l2a s HIS 511 N 1.60 1.64 0.00 5.38 3.76 -0.45 -1.02 115.29 126.21 1l2a s HIS 511 Ca 0.04 -0.36 0.08 0.00 -0.15 0.00 0.00 55.06 54.68 1l2a s HIS 511 Cb -0.17 -1.07 -0.02 0.00 1.11 0.00 0.00 32.58 32.42 1l2a s HIS 511 CO 0.06 -0.07 -0.25 0.54 -0.85 0.00 0.00 174.74 174.17 1l2a s VAL 512 N -0.28 2.02 -0.05 -0.90 0.11 -1.26 -1.11 120.40 118.93 1l2a s VAL 512 Ca 0.04 -1.18 0.03 0.00 -2.93 0.00 0.00 61.98 57.94 1l2a s VAL 512 Cb -0.08 -1.70 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 1l2a s VAL 512 CO 0.00 0.49 -0.14 -0.60 -3.33 0.00 0.00 175.10 171.52 1l2a s ARG 513 N -0.81 1.58 -0.13 1.54 3.52 0.29 -4.94 118.95 120.00 1l2a s ARG 513 Ca 0.10 -0.47 -0.29 0.00 -0.13 0.00 0.00 55.73 54.93 1l2a s ARG 513 Cb -0.10 -1.36 -0.02 0.00 -1.56 0.00 0.00 34.95 31.92 1l2a s ARG 513 CO 0.00 0.14 1.22 0.08 -0.81 0.00 0.00 175.30 175.93 1l2a s VAL 514 N 0.29 4.32 -0.03 7.11 1.01 -1.26 -0.39 120.40 131.44 1l2a s VAL 514 Ca -0.07 1.61 0.17 0.00 0.00 0.00 0.00 61.98 63.68 1l2a s VAL 514 Cb -0.12 -4.04 -0.26 0.00 0.00 0.00 0.00 36.38 31.96 1l2a s VAL 514 CO 0.02 -0.09 0.34 0.35 0.00 0.00 0.00 175.10 175.72 1l2a n THR 515 N 5.11 0.08 -3.99 3.92 -2.24 0.11 -4.96 114.28 112.30 1l2a n THR 515 Ca 0.13 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.42 1l2a n THR 515 Cb 0.45 0.06 -0.08 0.00 -2.10 0.00 0.00 70.33 68.66 1l2a n THR 515 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1l2a s SER 516 N -4.01 0.24 0.11 3.42 1.04 -1.22 -4.97 113.70 108.32 1l2a s SER 516 Ca -0.06 -0.88 0.06 0.00 0.48 0.00 0.00 55.95 55.54 1l2a s SER 516 Cb 0.10 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1l2a s SER 516 CO 0.69 -0.72 -0.14 -0.31 0.98 0.00 0.00 173.24 173.74 1l2a s TYR 517 N -3.93 1.36 0.00 5.02 1.51 -1.26 -1.04 117.35 119.01 1l2a s TYR 517 Ca 0.11 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1l2a s TYR 517 Cb 0.06 -0.72 0.00 0.00 -0.11 0.00 0.00 41.96 41.19 1l2a s TYR 517 CO -0.06 0.12 0.00 0.41 -1.11 0.00 0.00 175.55 174.91 1l2a n GLY 518 N 0.69 2.87 2.54 0.71 0.00 -0.05 -4.83 105.19 107.13 1l2a n GLY 518 Ca -0.17 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1l2a n GLY 518 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1l2a n THR 519 N 0.00 0.91 -2.21 2.61 5.66 -1.26 0.13 114.28 120.12 1l2a n THR 519 Ca 0.00 -2.36 -0.43 0.00 -3.05 0.00 0.00 64.05 58.21 1l2a n THR 519 Cb 0.00 1.21 -0.02 0.00 -1.55 0.00 0.00 70.33 69.97 1l2a n THR 519 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1l2a s ASP 520 N -3.22 6.54 0.07 1.09 -1.08 -1.26 -4.92 116.67 113.88 1l2a s ASP 520 Ca 0.27 1.58 -0.19 0.00 -0.52 0.00 0.00 52.55 53.68 1l2a s ASP 520 Cb 0.34 -2.53 -0.11 0.00 -1.46 0.00 0.00 42.92 39.15 1l2a s ASP 520 CO -0.07 -1.13 1.42 -0.07 0.52 0.00 0.00 175.17 175.84 1l2a h LEU 521 N 11.16 0.46 -0.52 -1.34 3.38 -1.97 0.41 115.31 126.88 1l2a h LEU 521 Ca -0.31 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.26 1l2a h LEU 521 Cb 1.14 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1l2a h LEU 521 CO 1.00 0.78 0.31 1.23 0.09 0.00 0.00 178.44 181.85 1l2a h GLY 522 N 0.14 0.73 2.00 0.83 0.00 -1.88 0.80 103.07 105.70 1l2a h GLY 522 Ca 0.05 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 1l2a h GLY 522 CO 0.03 0.20 -0.38 -2.08 0.00 0.00 0.00 176.54 174.32 1l2a h VAL 523 N 0.62 1.09 -0.12 4.60 2.07 -1.89 -0.94 116.25 121.68 1l2a h VAL 523 Ca 0.21 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 1l2a h VAL 523 Cb 0.02 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1l2a h VAL 523 CO -0.09 0.37 -0.04 0.00 0.02 0.00 0.00 177.57 177.83 1l2a h ALA 524 N 1.62 0.17 -0.68 1.67 0.00 0.03 -1.68 119.26 120.39 1l2a h ALA 524 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1l2a h ALA 524 Cb 0.75 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1l2a h ALA 524 CO 0.05 -0.06 0.32 0.78 0.00 0.00 0.00 179.25 180.34 1l2a h GLY 525 N -0.08 1.06 1.09 0.00 0.00 -0.71 -0.96 103.07 103.48 1l2a h GLY 525 Ca 0.03 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.71 1l2a h GLY 525 CO 0.01 0.50 -0.12 0.23 0.00 0.00 0.00 176.54 177.17 1l2a h SER 526 N 0.95 1.03 -0.64 0.19 0.87 -1.16 -0.73 113.55 114.07 1l2a h SER 526 Ca 0.23 -0.36 -0.07 0.00 -1.23 0.00 0.00 61.79 60.37 1l2a h SER 526 Cb 0.13 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 1l2a h SER 526 CO -0.03 1.15 0.15 0.25 -0.53 0.00 0.00 176.83 177.82 1l2a h LEU 527 N 0.90 1.00 -0.30 2.23 5.85 -1.08 -1.62 115.31 122.28 1l2a h LEU 527 Ca 0.14 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1l2a h LEU 527 Cb 0.69 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1l2a h LEU 527 CO 0.05 0.96 0.05 0.00 -0.34 0.00 0.00 178.44 179.16 1l2a h ALA 528 N 1.16 0.40 -0.40 1.25 0.00 -0.89 -1.69 119.26 119.10 1l2a h ALA 528 Ca 0.21 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1l2a h ALA 528 Cb 0.36 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 1l2a h ALA 528 CO 0.00 0.10 -0.18 -0.97 0.00 0.00 0.00 179.25 178.20 1l2a h ASN 529 N 0.33 -0.63 -0.41 0.00 -0.73 -0.95 0.27 115.58 113.47 1l2a h ASN 529 Ca 0.09 0.15 0.03 0.00 1.87 0.00 0.00 56.30 58.44 1l2a h ASN 529 Cb 0.34 0.35 -0.03 0.00 0.27 0.00 0.00 38.32 39.25 1l2a h ASN 529 CO 0.01 -0.22 0.20 0.00 -0.37 0.00 0.00 177.43 177.05 1l2a h ALA 530 N 1.18 0.50 -0.44 1.57 0.00 -1.07 0.11 119.26 121.11 1l2a h ALA 530 Ca 0.20 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1l2a h ALA 530 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1l2a h ALA 530 CO -0.47 -0.16 -0.18 -0.07 0.00 0.00 0.00 179.25 178.37 1l2a h LEU 531 N 0.41 0.92 0.16 0.00 3.38 -0.73 -0.40 115.31 119.06 1l2a h LEU 531 Ca 0.17 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1l2a h LEU 531 Cb 0.08 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1l2a h LEU 531 CO -0.12 1.11 -0.08 0.00 0.09 0.00 0.00 178.44 179.44 1l2a h ALA 532 N 0.85 -0.22 -0.42 1.53 0.00 -0.26 -0.88 119.26 119.87 1l2a h ALA 532 Ca 0.10 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1l2a h ALA 532 Cb 0.74 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1l2a h ALA 532 CO 0.06 -0.55 0.18 1.15 0.00 0.00 0.00 179.25 180.08 1l2a h THR 533 N -0.35 0.92 -0.75 0.00 2.02 -0.71 0.12 112.91 114.16 1l2a h THR 533 Ca -0.02 -0.13 0.07 0.00 0.77 0.00 0.00 66.41 67.10 1l2a h THR 533 Cb 0.28 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 1l2a h THR 533 CO 0.04 0.07 0.44 0.22 0.37 0.00 0.00 175.52 176.65 1l2a h TYR 534 N 0.37 0.81 -0.00 3.16 3.20 -0.99 -0.52 116.97 122.99 1l2a h TYR 534 Ca 0.19 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 1l2a h TYR 534 Cb 0.14 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 1l2a h TYR 534 CO -0.13 0.39 0.00 0.00 -1.64 0.00 0.00 178.16 176.78 1l2a h ALA 535 N 1.38 0.00 -0.98 1.82 0.00 0.60 -0.80 119.26 121.28 1l2a h ALA 535 Ca 0.34 -0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.40 1l2a h ALA 535 Cb 0.21 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 1l2a h ALA 535 CO -0.19 -0.43 0.56 0.00 0.00 0.00 0.00 179.25 179.19 1l2a h ALA 536 N 0.87 1.66 -0.60 0.00 0.00 -0.59 -1.13 119.26 119.46 1l2a h ALA 536 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1l2a h ALA 536 Cb 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1l2a h ALA 536 CO -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 179.25 179.06 1l2a h ALA 537 N 1.68 0.81 -0.62 0.00 0.00 -0.04 -2.56 119.26 118.53 1l2a h ALA 537 Ca 0.59 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1l2a h ALA 537 Cb 1.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1l2a h ALA 537 CO -0.43 0.67 0.31 1.79 0.00 0.00 0.00 179.25 181.59 1l2a h THR 538 N 0.97 1.20 -0.33 0.00 1.35 0.07 -1.77 112.91 114.40 1l2a h THR 538 Ca 0.17 -0.52 -0.05 0.00 -0.55 0.00 0.00 66.41 65.46 1l2a h THR 538 Cb 0.59 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.39 1l2a h THR 538 CO 0.04 0.22 0.02 -0.08 -0.25 0.00 0.00 175.52 175.47 1l2a h GLU 539 N 0.86 0.57 -0.34 4.72 4.81 -1.23 0.95 114.58 124.91 1l2a h GLU 539 Ca 0.22 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1l2a h GLU 539 Cb 0.06 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1l2a h GLU 539 CO -0.03 0.68 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.78 1l2a h ARG 540 N 0.38 0.65 0.00 1.92 2.43 -1.18 -3.38 114.38 115.20 1l2a h ARG 540 Ca 0.10 -0.24 -0.08 0.00 -0.81 0.00 0.00 59.98 58.95 1l2a h ARG 540 Cb 0.41 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1l2a h ARG 540 CO 0.01 0.80 -1.53 0.91 -1.51 0.00 0.00 179.97 178.66 1l2a n TRP 541 N -4.44 0.00 -3.12 2.20 7.02 -0.69 -5.05 117.44 113.36 1l2a n TRP 541 Ca -0.02 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.27 1l2a n TRP 541 Cb 0.32 -0.33 0.03 0.00 -2.42 0.00 0.00 31.31 28.91 1l2a n TRP 541 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1l2a s GLU 542 N -2.46 2.50 0.27 -0.99 2.02 0.33 -5.01 118.70 115.35 1l2a s GLU 542 Ca -0.04 -1.52 0.00 0.00 0.02 0.00 0.00 54.97 53.43 1l2a s GLU 542 Cb 0.05 -2.63 0.60 0.00 0.10 0.00 0.00 34.13 32.24 1l2a s GLU 542 CO 0.39 -0.60 1.73 0.78 0.02 0.00 0.00 175.26 177.58 1l2a h GLY 543 N 0.43 1.40 -3.01 -1.39 0.00 -1.92 -3.45 103.07 95.15 1l2a h GLY 543 Ca -0.34 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 1l2a h GLY 543 CO 0.44 -0.13 -0.23 -1.59 0.00 0.00 0.00 176.54 175.03 1l2a s LYS 544 N -5.95 1.02 0.37 4.80 0.00 -1.26 -5.06 119.74 113.66 1l2a s LYS 544 Ca -0.12 -0.91 -0.26 0.00 0.00 0.00 0.00 55.97 54.68 1l2a s LYS 544 Cb 0.23 0.41 -0.12 0.00 0.00 0.00 0.00 37.83 38.35 1l2a s LYS 544 CO 0.78 -0.37 1.05 -0.11 0.00 0.00 0.00 175.35 176.70 1l2a n LEU 545 N -0.17 2.54 -4.44 2.77 7.94 -1.26 -4.27 117.00 120.11 1l2a n LEU 545 Ca -0.13 1.10 -0.44 0.00 -1.11 0.00 0.00 56.01 55.43 1l2a n LEU 545 Cb 0.63 -1.36 -0.06 0.00 0.53 0.00 0.00 43.42 43.16 1l2a n LEU 545 CO 0.21 -1.30 0.38 -0.62 -1.11 0.00 0.00 177.39 174.95 1l2a s ASP 546 N -0.62 6.22 0.07 1.96 -1.08 -1.26 -4.93 116.67 117.04 1l2a s ASP 546 Ca 0.61 -0.95 -0.14 0.00 -0.52 0.00 0.00 52.55 51.54 1l2a s ASP 546 Cb -0.60 -2.30 -0.23 0.00 -1.46 0.00 0.00 42.92 38.33 1l2a s ASP 546 CO 0.59 -0.96 1.19 0.74 0.52 0.00 0.00 175.17 177.24 1l2a h THR 547 N 5.88 1.29 -0.74 1.71 2.02 -1.96 -2.97 112.91 118.13 1l2a h THR 547 Ca -0.28 -2.22 -0.02 0.00 0.77 0.00 0.00 66.41 64.67 1l2a h THR 547 Cb 1.09 2.38 -0.04 0.00 -1.74 0.00 0.00 68.15 69.84 1l2a h THR 547 CO 1.00 0.69 0.39 0.11 0.37 0.00 0.00 175.52 178.08 1l2a h LYS 548 N 0.37 1.04 -0.22 6.66 1.57 -1.99 -1.37 116.57 122.63 1l2a h LYS 548 Ca -0.12 -0.12 -0.20 0.00 -1.87 0.00 0.00 60.65 58.33 1l2a h LYS 548 Cb 1.66 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.77 1l2a h LYS 548 CO 0.20 0.77 -0.66 0.00 -0.57 0.00 0.00 179.45 179.19 1l2a h ALA 549 N 1.39 0.42 -0.17 3.86 0.00 -1.89 -0.07 119.26 122.80 1l2a h ALA 549 Ca 0.26 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1l2a h ALA 549 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1l2a h ALA 549 CO -0.04 0.69 0.08 -0.09 0.00 0.00 0.00 179.25 179.88 1l2a h ARG 550 N 0.59 0.24 -0.58 0.00 2.43 -1.35 -1.69 114.38 114.02 1l2a h ARG 550 Ca -0.02 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1l2a h ARG 550 Cb 1.27 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1l2a h ARG 550 CO 0.14 0.30 0.30 -0.44 -1.51 0.00 0.00 179.97 178.75 1l2a h ASP 551 N 0.13 0.75 -0.98 -3.80 3.32 -1.25 -2.29 116.42 112.29 1l2a h ASP 551 Ca 0.06 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1l2a h ASP 551 Cb 0.14 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 1l2a h ASP 551 CO -0.01 0.65 0.65 -0.03 -1.72 0.00 0.00 179.24 178.78 1l2a h MET 552 N 0.79 1.24 -0.82 3.56 4.05 -0.92 0.09 114.93 122.92 1l2a h MET 552 Ca 0.20 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.54 1l2a h MET 552 Cb 0.09 -0.28 -0.04 0.00 -0.80 0.00 0.00 31.60 30.57 1l2a h MET 552 CO -0.03 0.82 0.47 0.00 0.23 0.00 0.00 176.91 178.40 1l2a h ALA 553 N 1.38 1.05 -0.66 0.39 0.00 -1.04 -2.12 119.26 118.27 1l2a h ALA 553 Ca 0.38 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1l2a h ALA 553 Cb -0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 1l2a h ALA 553 CO -0.10 0.54 0.16 0.00 0.00 0.00 0.00 179.25 179.85 1l2a h ALA 554 N 1.25 0.87 -0.60 0.00 0.00 -0.80 -2.15 119.26 117.83 1l2a h ALA 554 Ca 0.29 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1l2a h ALA 554 Cb -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1l2a h ALA 554 CO -0.05 0.59 0.36 0.93 0.00 0.00 0.00 179.25 181.08 1l2a h GLU 555 N 0.98 0.81 -0.35 0.00 4.39 -0.75 0.22 114.58 119.87 1l2a h GLU 555 Ca 0.21 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 1l2a h GLU 555 Cb 0.36 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1l2a h GLU 555 CO 0.00 0.57 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.32 1l2a h LEU 556 N 0.81 0.65 -0.73 1.33 3.38 -1.26 0.24 115.31 119.72 1l2a h LEU 556 Ca 0.21 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1l2a h LEU 556 Cb -0.03 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1l2a h LEU 556 CO -0.04 0.83 0.30 0.58 0.09 0.00 0.00 178.44 180.20 1l2a h VAL 557 N 0.45 1.25 -0.24 1.22 2.07 -1.11 -0.40 116.25 119.50 1l2a h VAL 557 Ca 0.10 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1l2a h VAL 557 Cb 0.52 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1l2a h VAL 557 CO 0.03 0.31 0.11 0.78 0.02 0.00 0.00 177.57 178.82 1l2a h ASN 558 N 1.05 0.32 0.17 0.57 2.35 -0.21 -2.03 115.58 117.79 1l2a h ASN 558 Ca 0.25 -0.14 -0.24 0.00 -0.55 0.00 0.00 56.30 55.62 1l2a h ASN 558 Cb 0.20 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.49 1l2a h ASN 558 CO -0.02 0.36 -0.94 0.03 -1.65 0.00 0.00 177.43 175.21 1l2a h ARG 559 N 0.25 0.55 -0.71 0.81 3.08 -0.87 0.21 114.38 117.70 1l2a h ARG 559 Ca 0.08 -0.56 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1l2a h ARG 559 Cb 0.13 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1l2a h ARG 559 CO -0.01 1.19 0.45 0.00 -1.07 0.00 0.00 179.97 180.53 1l2a h ALA 560 N 0.62 0.90 0.02 0.04 0.00 -1.07 -1.78 119.26 117.99 1l2a h ALA 560 Ca -0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1l2a h ALA 560 Cb 1.58 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1l2a h ALA 560 CO 0.17 0.34 -0.01 2.35 0.00 0.00 0.00 179.25 182.11 1l2a h TRP 561 N 0.96 -0.02 0.30 0.00 2.91 -1.22 -2.59 115.95 116.29 1l2a h TRP 561 Ca 0.26 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.28 1l2a h TRP 561 Cb -0.08 0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 28.55 1l2a h TRP 561 CO -0.02 0.75 -0.43 -0.92 -1.03 0.00 0.00 178.44 176.79 1l2a h TYR 562 N -0.89 -1.20 0.00 2.65 3.20 -0.62 -2.72 116.97 117.38 1l2a h TYR 562 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1l2a h TYR 562 Cb 0.78 0.49 0.00 0.00 1.54 0.00 0.00 36.73 39.54 1l2a h TYR 562 CO 0.21 -0.56 0.00 -0.91 -1.64 0.00 0.00 178.16 175.25 1l2a h ASN 563 N -0.79 0.00 0.00 -2.11 2.35 -1.44 -0.58 115.58 113.01 1l2a h ASN 563 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1l2a h ASN 563 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1l2a h ASN 563 CO -0.14 0.00 -0.06 0.49 -1.65 0.00 0.00 177.43 176.07 1l2a n PHE 564 N -2.42 0.00 -1.69 1.19 3.01 -0.97 -4.35 117.46 112.23 1l2a n PHE 564 Ca 0.04 -0.65 -0.41 0.00 1.01 0.00 0.00 57.45 57.44 1l2a n PHE 564 Cb 0.36 -0.10 0.01 0.00 -0.01 0.00 0.00 39.48 39.75 1l2a n PHE 564 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1l2a n TYR 565 N -0.86 2.04 -3.74 1.38 9.36 -1.03 0.38 117.16 124.68 1l2a n TYR 565 Ca 0.08 0.51 -0.38 0.00 3.32 0.00 0.00 57.90 61.43 1l2a n TYR 565 Cb 0.51 -2.36 -0.12 0.00 -0.63 0.00 0.00 39.34 36.74 1l2a n TYR 565 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1l2a h SER 567 N 8.23 0.58 0.00 0.00 0.02 -1.90 -1.65 113.55 118.83 1l2a h SER 567 Ca -0.23 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1l2a h SER 567 Cb 1.08 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1l2a h SER 567 CO 0.61 0.35 0.00 -0.62 -1.14 0.00 0.00 176.83 176.03 1l2a n GLU 568 N -4.49 0.59 -0.63 3.45 4.71 -1.26 -4.86 120.64 118.16 1l2a n GLU 568 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 1l2a n GLU 568 Cb 0.32 -1.19 0.00 0.00 -1.01 0.00 0.00 31.44 29.56 1l2a n GLU 568 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1l2a n GLY 569 N 0.13 0.64 0.40 0.62 0.00 -0.62 -4.98 105.19 101.38 1l2a n GLY 569 Ca 0.05 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.75 1l2a n GLY 569 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1l2a n LYS 570 N -2.63 1.29 0.00 1.61 5.02 -1.25 -4.80 118.16 117.40 1l2a n LYS 570 Ca 0.00 -0.80 0.00 0.00 -2.02 0.00 0.00 58.31 55.49 1l2a n LYS 570 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1l2a n LYS 570 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1l2a n GLY 571 N 1.28 0.51 3.58 0.72 0.00 -1.26 -4.66 105.19 105.36 1l2a n GLY 571 Ca 0.15 -1.12 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 1l2a n GLY 571 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1l2a s VAL 572 N 0.00 2.94 -0.02 1.61 -7.23 -1.26 -2.16 120.40 114.28 1l2a s VAL 572 Ca 0.00 -2.09 -0.07 0.00 -1.81 0.00 0.00 61.98 58.01 1l2a s VAL 572 Cb 0.00 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 34.29 1l2a s VAL 572 CO 0.00 -0.34 0.15 0.54 -0.31 0.00 0.00 175.10 175.14 1l2a s VAL 573 N -2.43 0.05 0.22 1.32 0.11 0.16 -4.71 120.40 115.13 1l2a s VAL 573 Ca 0.32 -0.45 -0.09 0.00 -2.93 0.00 0.00 61.98 58.83 1l2a s VAL 573 Cb -0.04 -0.37 -0.07 0.00 -1.53 0.00 0.00 36.38 34.37 1l2a s VAL 573 CO 0.18 -0.25 0.53 -0.89 -3.33 0.00 0.00 175.10 171.35 1l2a s THR 574 N -0.88 4.96 -0.28 5.04 2.01 -0.97 -4.60 115.64 120.92 1l2a s THR 574 Ca -0.10 0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.32 1l2a s THR 574 Cb -0.05 -3.62 0.08 0.00 0.01 0.00 0.00 72.50 68.92 1l2a s THR 574 CO 0.01 -0.07 0.02 -0.70 -0.69 0.00 0.00 174.62 173.19 1l2a s GLU 575 N -2.84 1.25 -0.06 4.92 2.12 -1.26 -3.45 118.70 119.40 1l2a s GLU 575 Ca 0.47 -1.19 0.00 0.00 0.36 0.00 0.00 54.97 54.61 1l2a s GLU 575 Cb -0.11 -2.52 0.02 0.00 0.26 0.00 0.00 34.13 31.78 1l2a s GLU 575 CO 0.22 -0.80 -0.03 -1.83 -0.54 0.00 0.00 175.26 172.28 1l2a s GLU 576 N 1.37 0.80 -0.02 4.30 -1.05 0.55 -4.94 118.70 119.70 1l2a s GLU 576 Ca 0.03 -0.04 -0.30 0.00 -0.15 0.00 0.00 54.97 54.51 1l2a s GLU 576 Cb -0.18 -0.92 -0.05 0.00 -0.44 0.00 0.00 34.13 32.53 1l2a s GLU 576 CO -0.13 -0.17 1.37 0.00 0.95 0.00 0.00 175.26 177.29 1l2a s ALA 577 N 1.31 3.57 -0.73 -0.84 0.00 -1.26 -0.11 121.76 123.70 1l2a s ALA 577 Ca -0.05 0.81 0.04 0.00 0.00 0.00 0.00 51.96 52.76 1l2a s ALA 577 Cb -0.14 -3.59 0.26 0.00 0.00 0.00 0.00 23.12 19.66 1l2a s ALA 577 CO -0.02 -0.93 0.91 0.54 0.00 0.00 0.00 175.76 176.26 1l2a n ARG 578 N 5.50 2.96 -0.33 0.00 5.12 -0.39 -4.89 116.66 124.64 1l2a n ARG 578 Ca 0.13 -4.65 0.15 0.00 -1.93 0.00 0.00 57.85 51.55 1l2a n ARG 578 Cb 0.44 -2.31 0.37 0.00 -1.16 0.00 0.00 32.46 29.80 1l2a n ARG 578 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1l2a h ALA 579 N 4.44 1.83 -0.20 7.54 0.00 -1.90 -1.02 119.26 129.95 1l2a h ALA 579 Ca 0.20 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1l2a h ALA 579 Cb 0.65 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1l2a h ALA 579 CO 0.95 -0.19 0.43 0.38 0.00 0.00 0.00 179.25 180.82 1l2a h ASP 580 N 0.66 0.00 0.35 0.00 2.03 -1.98 -2.72 116.42 114.76 1l2a h ASP 580 Ca 0.56 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.86 1l2a h ASP 580 Cb 1.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.51 1l2a h ASP 580 CO -0.34 0.00 0.00 -1.22 -1.03 0.00 0.00 179.24 176.65 1l2a n TYR 581 N -3.23 0.00 0.25 4.15 4.02 -0.39 -0.92 117.16 121.04 1l2a n TYR 581 Ca 0.03 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.07 1l2a n TYR 581 Cb 0.53 -0.50 0.84 0.00 -0.02 0.00 0.00 39.34 40.20 1l2a n TYR 581 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1l2a h LYS 582 N 0.00 0.00 0.00 -0.72 2.10 -1.71 -2.29 116.57 113.95 1l2a h LYS 582 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1l2a h LYS 582 Cb 0.17 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1l2a h LYS 582 CO 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 179.45 177.41 1l2a h ARG 583 N 0.00 0.00 -1.15 0.07 3.08 -1.29 -1.50 114.38 113.59 1l2a h ARG 583 Ca 0.04 0.00 0.32 0.00 0.07 0.00 0.00 59.98 60.41 1l2a h ARG 583 Cb 0.21 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.18 1l2a h ARG 583 CO -0.00 0.04 0.78 0.74 -1.07 0.00 0.00 179.97 180.46 1l2a h PHE 584 N 0.00 0.38 0.00 3.04 0.04 -1.62 -2.14 116.94 116.64 1l2a h PHE 584 Ca -0.00 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1l2a h PHE 584 Cb 0.18 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 1l2a h PHE 584 CO 0.00 0.00 -1.13 1.19 -0.60 0.00 0.00 178.31 177.77 1l2a n PHE 585 N -4.46 0.00 -0.05 -0.55 3.01 -0.64 -1.87 117.46 112.90 1l2a n PHE 585 Ca 0.27 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.64 1l2a n PHE 585 Cb 1.11 -0.08 -0.15 0.00 -0.01 0.00 0.00 39.48 40.36 1l2a n PHE 585 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1l2a n GLU 586 N -1.81 0.65 -2.10 -1.08 1.02 -0.77 -4.90 120.64 111.65 1l2a n GLU 586 Ca -0.02 0.19 -0.43 0.00 -0.02 0.00 0.00 57.16 56.88 1l2a n GLU 586 Cb 0.30 -1.70 -0.02 0.00 -0.02 0.00 0.00 31.44 29.99 1l2a n GLU 586 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1l2a s GLN 587 N -2.56 3.43 0.21 3.49 2.00 -0.81 -4.98 119.66 120.45 1l2a s GLN 587 Ca -0.07 1.31 -0.30 0.00 -2.00 0.00 0.00 55.36 54.31 1l2a s GLN 587 Cb 0.07 -4.14 -0.09 0.00 0.80 0.00 0.00 33.01 29.66 1l2a s GLN 587 CO 0.83 -1.74 1.29 -2.00 -0.50 0.00 0.00 175.29 173.17 1l2a s GLU 588 N 5.39 4.41 -0.25 1.67 2.12 -1.26 -1.69 118.70 129.08 1l2a s GLU 588 Ca 0.74 2.04 -0.09 0.00 0.36 0.00 0.00 54.97 58.02 1l2a s GLU 588 Cb -0.20 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1l2a s GLU 588 CO 0.33 -0.21 0.11 0.08 -0.54 0.00 0.00 175.26 175.03 1l2a s VAL 589 N -0.03 4.76 0.23 3.70 1.01 -0.12 -4.87 120.40 125.08 1l2a s VAL 589 Ca 0.55 -0.02 -0.31 0.00 0.00 0.00 0.00 61.98 62.20 1l2a s VAL 589 Cb -0.36 -3.23 -0.11 0.00 0.00 0.00 0.00 36.38 32.68 1l2a s VAL 589 CO 0.39 0.32 1.55 -0.47 0.00 0.00 0.00 175.10 176.90 1l2a s TYR 590 N 1.50 2.94 -0.04 5.22 5.04 -1.26 -4.40 117.35 126.35 1l2a s TYR 590 Ca 0.06 0.77 0.00 0.00 -2.44 0.00 0.00 57.07 55.46 1l2a s TYR 590 Cb -0.15 -3.96 0.03 0.00 0.35 0.00 0.00 41.96 38.22 1l2a s TYR 590 CO 0.06 -3.34 -0.01 0.08 -1.34 0.00 0.00 175.55 171.00 1l2a s VAL 591 N 0.44 0.30 0.42 3.14 1.01 -1.26 -5.01 120.40 119.43 1l2a s VAL 591 Ca 0.65 0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.43 1l2a s VAL 591 Cb -0.45 -0.39 -0.11 0.00 0.00 0.00 0.00 36.38 35.43 1l2a s VAL 591 CO 0.40 0.18 0.80 -2.65 0.00 0.00 0.00 175.10 173.84 1l2a n PRO 592 N 4.26 0.97 -1.69 2.72 -0.02 -1.26 -4.45 135.00 135.53 1l2a n PRO 592 Ca -0.23 0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 61.17 1l2a n PRO 592 Cb 0.50 -1.79 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 1l2a n PRO 592 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1l2a n ALA 593 N -0.65 1.40 -0.10 3.55 0.00 -1.26 -2.08 120.51 121.37 1l2a n ALA 593 Ca 0.11 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1l2a n ALA 593 Cb 0.39 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1l2a n ALA 593 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l2a n GLY 594 N 1.49 2.37 3.81 0.00 0.00 -1.26 -5.01 105.19 106.58 1l2a n GLY 594 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1l2a n GLY 594 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1l2a s TRP 595 N -2.95 3.76 0.01 1.61 -0.00 -0.88 -5.08 118.94 115.41 1l2a s TRP 595 Ca 0.00 1.18 -0.13 0.00 -0.00 0.00 0.00 56.10 57.14 1l2a s TRP 595 Cb 0.00 -2.45 0.02 0.00 -0.00 0.00 0.00 33.47 31.03 1l2a s TRP 595 CO 0.00 0.56 0.28 -1.54 -0.00 0.00 0.00 176.95 176.25 1l2a s SER 596 N -0.94 -0.13 0.10 5.86 1.04 -1.26 -4.46 113.70 113.91 1l2a s SER 596 Ca 0.28 -0.07 -0.25 0.00 0.48 0.00 0.00 55.95 56.38 1l2a s SER 596 Cb -0.18 0.31 0.09 0.00 0.10 0.00 0.00 66.02 66.33 1l2a s SER 596 CO 0.17 -0.50 1.13 -0.83 0.98 0.00 0.00 173.24 174.18 1l2a s GLY 597 N -1.63 -0.09 0.05 7.32 0.00 -0.76 -4.47 107.32 107.75 1l2a s GLY 597 Ca -0.10 0.00 0.04 0.00 0.00 0.00 0.00 44.72 44.66 1l2a s GLY 597 CO 0.01 2.35 -0.11 -0.51 0.00 0.00 0.00 173.10 174.83 1l2a s THR 598 N -2.36 0.85 0.74 0.90 -4.23 -0.41 0.39 115.64 111.52 1l2a s THR 598 Ca 0.21 -1.15 -0.11 0.00 -1.18 0.00 0.00 61.69 59.45 1l2a s THR 598 Cb -0.01 -0.85 0.03 0.00 1.34 0.00 0.00 72.50 73.02 1l2a s THR 598 CO 0.02 -0.26 1.10 -0.04 -0.54 0.00 0.00 174.62 174.90 1l2a s MET 599 N -1.57 2.58 0.33 3.99 -1.94 -0.23 -1.12 119.30 121.34 1l2a s MET 599 Ca -0.05 0.49 0.11 0.00 -1.71 0.00 0.00 55.69 54.53 1l2a s MET 599 Cb -0.10 -1.99 0.93 0.00 2.01 0.00 0.00 34.83 35.69 1l2a s MET 599 CO 0.01 -1.24 1.72 -1.35 -0.01 0.00 0.00 175.02 174.16 1l2a h PRO 600 N -0.80 0.52 -0.03 2.03 0.11 -1.87 0.03 132.00 131.99 1l2a h PRO 600 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1l2a h PRO 600 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1l2a h PRO 600 CO 0.63 0.34 0.00 0.27 -0.21 0.00 0.00 178.00 179.03 1l2a n ASN 601 N -4.88 0.28 0.00 -2.05 6.94 -1.26 -4.89 115.26 109.40 1l2a n ASN 601 Ca 0.27 -1.48 0.00 0.00 -0.02 0.00 0.00 54.58 53.36 1l2a n ASN 601 Cb 0.79 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.19 1l2a n ASN 601 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1l2a n GLY 602 N 0.84 0.54 3.73 4.83 0.00 -0.00 -5.06 105.19 110.07 1l2a n GLY 602 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1l2a n GLY 602 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1l2a s ASP 603 N -2.66 6.43 0.05 1.61 1.01 -1.26 -4.70 116.67 117.16 1l2a s ASP 603 Ca 0.00 2.84 -0.30 0.00 0.71 0.00 0.00 52.55 55.80 1l2a s ASP 603 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1l2a s ASP 603 CO 0.00 -0.91 1.00 -0.54 0.21 0.00 0.00 175.17 174.93 1l2a s LYS 604 N 0.53 4.59 -0.33 8.23 1.02 -1.26 -1.07 119.74 131.45 1l2a s LYS 604 Ca 0.69 1.49 -0.10 0.00 0.02 0.00 0.00 55.97 58.06 1l2a s LYS 604 Cb -0.48 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 1l2a s LYS 604 CO 0.38 0.02 0.18 0.42 -0.92 0.00 0.00 175.35 175.43 1l2a s ILE 605 N 0.61 4.66 0.06 2.17 1.01 0.16 -4.78 121.20 125.09 1l2a s ILE 605 Ca 0.51 -0.55 -0.27 0.00 0.00 0.00 0.00 60.65 60.34 1l2a s ILE 605 Cb -0.23 -3.45 0.09 0.00 0.01 0.00 0.00 42.46 38.87 1l2a s ILE 605 CO 0.29 -0.04 0.83 0.00 0.00 0.00 0.00 174.94 176.02 1l2a s GLN 606 N 1.60 1.00 0.26 2.79 -2.07 -1.26 -1.82 119.66 120.16 1l2a s GLN 606 Ca 0.04 -0.41 -0.31 0.00 -1.82 0.00 0.00 55.36 52.86 1l2a s GLN 606 Cb -0.18 0.43 -0.13 0.00 -1.09 0.00 0.00 33.01 32.05 1l2a s GLN 606 CO 0.07 -0.44 1.47 -2.30 -1.32 0.00 0.00 175.29 172.76 1l2a n PRO 607 N -0.31 2.24 0.00 9.60 -0.02 -1.26 -2.83 135.00 142.41 1l2a n PRO 607 Ca -0.10 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1l2a n PRO 607 Cb 0.62 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1l2a n PRO 607 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1l2a n GLY 608 N 2.18 0.56 3.77 -1.23 0.00 -1.26 -5.05 105.19 104.15 1l2a n GLY 608 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1l2a n GLY 608 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1l2a s ILE 609 N -2.00 3.04 0.34 -0.61 -4.36 -1.13 -4.89 121.20 111.58 1l2a s ILE 609 Ca 0.00 0.63 0.07 0.00 -0.26 0.00 0.00 60.65 61.09 1l2a s ILE 609 Cb 0.00 -3.23 -0.03 0.00 1.25 0.00 0.00 42.46 40.45 1l2a s ILE 609 CO 0.00 -0.16 0.30 -0.54 0.24 0.00 0.00 174.94 174.78 1l2a s LYS 610 N -3.39 2.71 0.20 0.37 -0.14 -1.26 -0.94 119.74 117.29 1l2a s LYS 610 Ca 0.73 -1.31 -0.20 0.00 -1.36 0.00 0.00 55.97 53.83 1l2a s LYS 610 Cb -0.25 -2.47 0.16 0.00 -1.68 0.00 0.00 37.83 33.58 1l2a s LYS 610 CO 0.30 0.07 1.57 0.35 -0.76 0.00 0.00 175.35 176.89 1l2a h PHE 611 N 1.23 -1.03 -0.33 3.18 3.04 -1.47 0.10 116.94 121.66 1l2a h PHE 611 Ca -0.44 0.09 0.04 0.00 3.98 0.00 0.00 57.97 61.63 1l2a h PHE 611 Cb 1.25 0.56 -0.02 0.00 2.56 0.00 0.00 35.95 40.31 1l2a h PHE 611 CO 0.53 -0.39 0.22 0.97 -2.02 0.00 0.00 178.31 177.62 1l2a h ILE 612 N -0.11 0.99 0.00 1.41 6.09 -1.68 -3.07 117.51 121.14 1l2a h ILE 612 Ca 0.27 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.66 1l2a h ILE 612 Cb 0.57 0.68 0.00 0.00 0.47 0.00 0.00 36.82 38.53 1l2a h ILE 612 CO -0.80 0.05 0.00 0.44 -3.07 0.00 0.00 178.15 174.77 1l2a h ASP 613 N 0.29 0.00 -0.21 2.19 3.32 -1.25 -0.03 116.42 120.72 1l2a h ASP 613 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1l2a h ASP 613 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1l2a h ASP 613 CO -0.03 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.79 1l2a n ILE 614 N -2.72 1.01 -2.60 0.35 -5.35 -1.16 -4.52 119.36 104.36 1l2a n ILE 614 Ca -0.01 -1.01 -0.13 0.00 -0.27 0.00 0.00 62.75 61.33 1l2a n ILE 614 Cb 0.15 0.49 0.02 0.00 -1.74 0.00 0.00 39.64 38.57 1l2a n ILE 614 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1l2a n ARG 615 N 0.11 1.95 0.10 6.28 1.74 -0.05 -4.95 116.66 121.85 1l2a n ARG 615 Ca 0.07 -3.66 0.05 0.00 -0.77 0.00 0.00 57.85 53.54 1l2a n ARG 615 Cb 0.36 -1.61 0.48 0.00 -1.02 0.00 0.00 32.46 30.67 1l2a n ARG 615 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1l2a h THR 616 N 3.16 1.09 0.00 0.55 2.02 -1.75 -1.50 112.91 116.48 1l2a h THR 616 Ca 0.03 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1l2a h THR 616 Cb 1.14 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1l2a h THR 616 CO 0.57 0.11 0.06 0.11 0.37 0.00 0.00 175.52 176.74 1l2a h LYS 617 N 0.31 0.00 0.00 6.66 1.57 -1.92 -1.12 116.57 122.08 1l2a h LYS 617 Ca 0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1l2a h LYS 617 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1l2a h LYS 617 CO -0.01 0.00 -0.19 1.88 -0.57 0.00 0.00 179.45 180.56 1l2a h TYR 618 N 0.00 0.00 -0.03 -1.35 0.05 -1.64 -2.56 116.97 111.44 1l2a h TYR 618 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 1l2a h TYR 618 Cb 0.13 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 1l2a h TYR 618 CO 0.00 0.19 0.05 0.00 -1.05 0.00 0.00 178.16 177.35 1l2a h ARG 619 N 0.00 0.00 -0.26 4.88 3.08 -1.41 -1.55 114.38 119.13 1l2a h ARG 619 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1l2a h ARG 619 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1l2a h ARG 619 CO 0.02 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.96 1l2a n GLN 620 N -3.59 1.94 -2.81 0.04 1.13 -0.96 -4.86 117.38 108.26 1l2a n GLN 620 Ca -0.02 -1.42 -0.40 0.00 -1.94 0.00 0.00 57.00 53.22 1l2a n GLN 620 Cb 0.14 -1.41 -0.05 0.00 0.11 0.00 0.00 30.24 29.03 1l2a n GLN 620 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1l2a s ASP 621 N -1.44 7.52 0.56 1.08 -1.08 -0.58 -4.92 116.67 117.81 1l2a s ASP 621 Ca 0.33 1.80 0.29 0.00 -0.52 0.00 0.00 52.55 54.45 1l2a s ASP 621 Cb 0.18 -2.57 1.57 0.00 -1.46 0.00 0.00 42.92 40.63 1l2a s ASP 621 CO 0.26 0.10 1.86 1.55 0.52 0.00 0.00 175.17 179.46 1l2a h PRO 622 N 4.70 0.00 -0.06 4.34 0.13 -1.92 -0.67 132.00 138.53 1l2a h PRO 622 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1l2a h PRO 622 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1l2a h PRO 622 CO 0.69 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.12 1l2a n TYR 623 N -2.70 0.05 -0.01 1.56 4.02 -1.26 -4.65 117.16 114.17 1l2a n TYR 623 Ca -0.02 -0.03 -0.11 0.00 -0.01 0.00 0.00 57.90 57.73 1l2a n TYR 623 Cb 0.27 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.54 1l2a n TYR 623 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 1l2a h TYR 624 N 3.57 0.16 -0.23 -0.72 3.20 -1.35 -2.50 116.97 119.10 1l2a h TYR 624 Ca 0.00 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.89 1l2a h TYR 624 Cb 0.77 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1l2a h TYR 624 CO 0.03 0.10 0.08 -0.44 -1.64 0.00 0.00 178.16 176.29 1l2a h ASP 625 N 0.17 0.10 -0.37 -2.11 3.32 -1.83 0.27 116.42 115.97 1l2a h ASP 625 Ca 0.05 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.19 1l2a h ASP 625 Cb -0.02 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.47 1l2a h ASP 625 CO -0.01 0.09 -0.12 0.40 -1.72 0.00 0.00 179.24 177.88 1l2a h ILE 626 N 0.19 0.58 -0.06 0.35 2.04 -1.83 0.17 117.51 118.95 1l2a h ILE 626 Ca 0.10 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.79 1l2a h ILE 626 Cb 0.06 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1l2a h ILE 626 CO -0.10 0.00 -0.71 -0.37 0.00 0.00 0.00 178.15 176.97 1l2a h VAL 627 N -0.03 1.41 -0.28 1.67 -1.51 -0.94 -2.00 116.25 114.56 1l2a h VAL 627 Ca 0.18 -2.18 -0.06 0.00 -1.23 0.00 0.00 66.70 63.41 1l2a h VAL 627 Cb 0.31 2.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.61 1l2a h VAL 627 CO -0.40 0.65 -0.04 0.22 -1.23 0.00 0.00 177.57 176.77 1l2a h TYR 628 N 0.20 0.58 -0.58 5.19 3.20 -0.20 -2.16 116.97 123.21 1l2a h TYR 628 Ca -0.02 -0.12 -0.06 0.00 3.14 0.00 0.00 58.73 61.68 1l2a h TYR 628 Cb 1.27 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.37 1l2a h TYR 628 CO 0.03 0.70 0.14 1.96 -1.64 0.00 0.00 178.16 179.35 1l2a h GLN 629 N 0.30 0.90 -0.53 1.82 1.08 -0.62 -0.88 115.11 117.18 1l2a h GLN 629 Ca 0.08 -0.19 -0.05 0.00 -1.45 0.00 0.00 58.65 57.04 1l2a h GLN 629 Cb 0.50 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1l2a h GLN 629 CO 0.02 0.81 0.13 0.00 -0.95 0.00 0.00 178.83 178.84 1l2a h ALA 630 N 1.28 1.25 -0.11 3.87 0.00 -1.33 -2.05 119.26 122.18 1l2a h ALA 630 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1l2a h ALA 630 Cb 0.32 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1l2a h ALA 630 CO -0.00 0.53 0.00 -0.92 0.00 0.00 0.00 179.25 178.86 1l2a h TYR 631 N 0.77 0.21 -0.58 0.00 3.20 -0.60 0.14 116.97 120.11 1l2a h TYR 631 Ca 0.17 -0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.11 1l2a h TYR 631 Cb 0.28 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 1l2a h TYR 631 CO 0.02 0.43 0.39 -0.07 -1.64 0.00 0.00 178.16 177.29 1l2a h LEU 632 N -0.08 0.32 0.00 2.82 3.38 -0.96 -1.74 115.31 119.05 1l2a h LEU 632 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1l2a h LEU 632 Cb 0.35 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1l2a h LEU 632 CO 0.01 0.19 -0.52 0.54 0.09 0.00 0.00 178.44 178.75 1l2a n ARG 633 N -4.46 0.15 -2.03 1.13 1.74 -0.79 -4.96 116.66 107.44 1l2a n ARG 633 Ca 0.10 0.05 -0.02 0.00 -0.77 0.00 0.00 57.85 57.21 1l2a n ARG 633 Cb 0.39 -1.60 -0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1l2a n ARG 633 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1l2a n GLY 634 N 1.42 0.31 3.39 -0.13 0.00 -0.52 -5.06 105.19 104.60 1l2a n GLY 634 Ca 0.04 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 1l2a n GLY 634 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1l2a s GLU 635 N -4.08 1.45 -0.06 1.61 2.02 0.39 -5.02 118.70 115.01 1l2a s GLU 635 Ca 0.00 -1.32 -0.30 0.00 0.02 0.00 0.00 54.97 53.37 1l2a s GLU 635 Cb 0.00 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.28 1l2a s GLU 635 CO 0.00 0.46 1.33 0.00 0.02 0.00 0.00 175.26 177.07 1l2a s ALA 636 N -1.04 3.58 0.48 5.21 0.00 -1.26 -4.15 121.76 124.58 1l2a s ALA 636 Ca 0.14 0.71 -0.22 0.00 0.00 0.00 0.00 51.96 52.59 1l2a s ALA 636 Cb -0.10 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.36 1l2a s ALA 636 CO 0.06 -0.97 1.17 -1.25 0.00 0.00 0.00 175.76 174.76 1l2a s PRO 637 N 2.76 3.63 -0.22 0.00 0.04 -1.26 -4.76 135.00 135.19 1l2a s PRO 637 Ca 0.60 1.78 -0.08 0.00 0.04 0.00 0.00 61.00 63.34 1l2a s PRO 637 Cb -0.27 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1l2a s PRO 637 CO 0.23 -0.66 0.09 0.08 0.04 0.00 0.00 177.00 176.78 1l2a s VAL 638 N -1.57 4.73 0.18 -0.36 1.01 -1.26 -1.26 120.40 121.86 1l2a s VAL 638 Ca 0.66 -0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.69 1l2a s VAL 638 Cb -0.29 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1l2a s VAL 638 CO 0.34 0.38 -0.14 -0.76 0.00 0.00 0.00 175.10 174.92 1l2a s LEU 639 N 1.04 2.82 -0.19 3.92 1.02 0.85 -4.92 118.68 123.23 1l2a s LEU 639 Ca 0.05 -0.64 -0.00 0.00 0.02 0.00 0.00 54.13 53.56 1l2a s LEU 639 Cb -0.14 -1.54 0.01 0.00 0.02 0.00 0.00 46.19 44.54 1l2a s LEU 639 CO 0.03 0.12 -0.16 0.20 0.02 0.00 0.00 176.35 176.56 1l2a s ASN 640 N -2.71 3.48 -0.01 2.29 0.01 -1.26 -0.33 114.94 116.41 1l2a s ASN 640 Ca 0.23 -0.56 0.04 0.00 -0.71 0.00 0.00 52.86 51.86 1l2a s ASN 640 Cb -0.09 -1.55 -0.01 0.00 0.41 0.00 0.00 41.25 40.01 1l2a s ASN 640 CO 0.13 0.01 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.29 1l2a s TYR 641 N 1.27 1.20 -0.82 2.20 4.12 -1.22 -4.90 117.35 119.19 1l2a s TYR 641 Ca 0.04 -0.23 -0.01 0.00 0.02 0.00 0.00 57.07 56.89 1l2a s TYR 641 Cb -0.14 -0.77 0.20 0.00 -1.52 0.00 0.00 41.96 39.74 1l2a s TYR 641 CO -0.09 -0.02 0.68 -1.01 0.02 0.00 0.00 175.55 175.14 1l2a s HIS 642 N -0.33 3.77 0.10 2.71 3.76 -1.26 -2.30 115.29 121.73 1l2a s HIS 642 Ca 0.05 -3.04 -0.30 0.00 -0.15 0.00 0.00 55.06 51.62 1l2a s HIS 642 Cb -0.05 -3.15 -0.06 0.00 1.11 0.00 0.00 32.58 30.43 1l2a s HIS 642 CO -0.00 -0.72 1.16 1.03 -0.85 0.00 0.00 174.74 175.35 1l2a s ARG 643 N -1.18 4.49 0.22 1.40 0.52 -1.26 -2.24 118.95 120.90 1l2a s ARG 643 Ca 0.25 1.74 -0.10 0.00 -0.52 0.00 0.00 55.73 57.11 1l2a s ARG 643 Cb -0.09 -3.33 0.34 0.00 0.52 0.00 0.00 34.95 32.39 1l2a s ARG 643 CO -0.12 -0.14 1.65 0.35 0.02 0.00 0.00 175.30 177.06 1l2a h PHE 644 N 6.21 -0.07 0.00 -0.53 3.57 -1.42 0.22 116.94 124.91 1l2a h PHE 644 Ca -0.43 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.10 1l2a h PHE 644 Cb 1.21 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 40.08 1l2a h PHE 644 CO 0.65 -0.20 -0.11 0.11 -2.23 0.00 0.00 178.31 176.54 1l2a h TRP 645 N 0.10 0.00 -0.17 0.41 5.08 -1.90 -2.09 115.95 117.39 1l2a h TRP 645 Ca 0.35 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 60.27 1l2a h TRP 645 Cb 0.58 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.74 1l2a h TRP 645 CO -0.40 0.11 -0.08 0.45 -1.28 0.00 0.00 178.44 177.25 1l2a h HIS 646 N 0.00 0.41 0.23 0.12 3.86 -1.35 -1.53 115.15 116.89 1l2a h HIS 646 Ca -0.00 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1l2a h HIS 646 Cb 0.69 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.04 1l2a h HIS 646 CO 0.00 0.66 -0.39 0.93 0.86 0.00 0.00 177.93 179.99 1l2a h GLU 647 N 0.03 -0.67 -0.28 2.45 4.39 -1.14 -2.35 114.58 117.01 1l2a h GLU 647 Ca 0.04 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1l2a h GLU 647 Cb 0.55 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1l2a h GLU 647 CO 0.02 -0.44 0.16 0.28 -1.16 0.00 0.00 179.01 177.87 1l2a h VAL 648 N -0.69 1.11 -0.34 3.13 2.07 -1.40 0.93 116.25 121.06 1l2a h VAL 648 Ca 0.00 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1l2a h VAL 648 Cb 0.68 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1l2a h VAL 648 CO -0.16 0.11 0.23 0.44 0.02 0.00 0.00 177.57 178.21 1l2a h ASP 649 N 0.35 0.31 -0.01 0.57 3.32 -1.25 0.41 116.42 120.12 1l2a h ASP 649 Ca 0.10 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1l2a h ASP 649 Cb 0.04 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1l2a h ASP 649 CO -0.02 0.21 -0.10 0.25 -1.72 0.00 0.00 179.24 177.86 1l2a h LEU 650 N 0.36 0.10 -0.41 1.55 5.85 -0.81 -2.87 115.31 119.08 1l2a h LEU 650 Ca 0.14 -0.73 0.09 0.00 0.84 0.00 0.00 57.88 58.21 1l2a h LEU 650 Cb 0.11 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.02 1l2a h LEU 650 CO -0.03 0.82 -0.23 0.00 -0.34 0.00 0.00 178.44 178.66 1l2a h ALA 651 N 0.28 0.04 -0.66 1.25 0.00 -0.02 -1.89 119.26 118.26 1l2a h ALA 651 Ca -0.01 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1l2a h ALA 651 Cb 0.83 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1l2a h ALA 651 CO 0.02 -0.60 0.31 0.28 0.00 0.00 0.00 179.25 179.26 1l2a h VAL 652 N -0.15 1.23 -0.95 0.00 2.07 -0.30 0.80 116.25 118.94 1l2a h VAL 652 Ca 0.20 -0.66 0.15 0.00 0.82 0.00 0.00 66.70 67.21 1l2a h VAL 652 Cb 0.46 0.43 -0.09 0.00 -1.52 0.00 0.00 31.29 30.57 1l2a h VAL 652 CO -0.51 0.27 0.57 0.00 0.02 0.00 0.00 177.57 177.92 1l2a h ALA 653 N 1.14 1.49 -0.54 1.67 0.00 -1.17 0.25 119.26 122.10 1l2a h ALA 653 Ca 0.23 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1l2a h ALA 653 Cb 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1l2a h ALA 653 CO -0.03 0.05 0.30 0.52 0.00 0.00 0.00 179.25 180.09 1l2a h MET 654 N 0.81 0.75 -0.90 0.00 2.86 -0.15 -2.35 114.93 115.95 1l2a h MET 654 Ca 0.51 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 58.06 1l2a h MET 654 Cb 0.66 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.13 1l2a h MET 654 CO -0.33 0.58 0.56 0.78 1.06 0.00 0.00 176.91 179.56 1l2a h GLY 655 N 0.72 1.30 1.07 8.32 0.00 0.71 -0.05 103.07 115.14 1l2a h GLY 655 Ca 0.19 -0.53 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 1l2a h GLY 655 CO -0.03 0.51 -0.09 -2.08 0.00 0.00 0.00 176.54 174.85 1l2a h VAL 656 N 1.24 1.27 0.20 4.60 2.07 -0.31 -1.25 116.25 124.07 1l2a h VAL 656 Ca 0.33 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1l2a h VAL 656 Cb -0.08 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1l2a h VAL 656 CO -0.06 0.43 -0.12 -0.07 0.02 0.00 0.00 177.57 177.77 1l2a h LEU 657 N 0.84 -0.29 -1.88 2.57 4.07 -1.15 -1.25 115.31 118.23 1l2a h LEU 657 Ca 0.14 0.02 0.15 0.00 0.08 0.00 0.00 57.88 58.26 1l2a h LEU 657 Cb 0.65 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.44 1l2a h LEU 657 CO 0.04 -0.19 0.41 0.00 -1.08 0.00 0.00 178.44 177.62 1l2a h ALA 658 N 0.48 2.38 0.07 1.53 0.00 -0.74 0.03 119.26 123.00 1l2a h ALA 658 Ca -0.02 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1l2a h ALA 658 Cb 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1l2a h ALA 658 CO 0.03 -0.54 -1.08 1.15 0.00 0.00 0.00 179.25 178.81 1l2a h THR 659 N 0.13 1.17 0.00 0.00 2.02 -0.93 -3.30 112.91 112.01 1l2a h THR 659 Ca 0.28 -2.35 -0.10 0.00 0.77 0.00 0.00 66.41 65.01 1l2a h THR 659 Cb 0.94 2.75 -0.02 0.00 -1.74 0.00 0.00 68.15 70.08 1l2a h THR 659 CO -0.03 0.59 -1.83 -1.22 0.37 0.00 0.00 175.52 173.40 1l2a n TYR 660 N -4.18 0.32 -3.19 3.16 4.02 -0.50 -4.58 117.16 112.21 1l2a n TYR 660 Ca -0.23 0.10 -0.23 0.00 -0.01 0.00 0.00 57.90 57.53 1l2a n TYR 660 Cb 0.77 -0.77 -0.05 0.00 -0.02 0.00 0.00 39.34 39.26 1l2a n TYR 660 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1l2a n PHE 661 N -2.53 1.38 0.38 -0.72 3.72 -0.01 -4.97 117.46 114.70 1l2a n PHE 661 Ca -0.10 -3.84 0.12 0.00 -0.05 0.00 0.00 57.45 53.59 1l2a n PHE 661 Cb 0.73 -0.44 0.51 0.00 -0.94 0.00 0.00 39.48 39.35 1l2a n PHE 661 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1l2a h PRO 662 N 3.52 0.00 0.00 -1.08 0.13 -1.63 -1.87 132.00 131.07 1l2a h PRO 662 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1l2a h PRO 662 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1l2a h PRO 662 CO 0.61 0.00 -0.51 -0.44 -0.23 0.00 0.00 178.00 177.43 1l2a h ASP 663 N 0.00 0.00 -4.24 1.44 3.32 -1.89 -3.47 116.42 111.57 1l2a h ASP 663 Ca 0.00 -0.04 -0.52 0.00 0.02 0.00 0.00 57.03 56.49 1l2a h ASP 663 Cb 0.35 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.05 1l2a h ASP 663 CO 0.00 0.02 0.33 -0.04 -1.72 0.00 0.00 179.24 177.83 1l2a s MET 664 N -3.25 2.09 -0.02 3.56 -1.94 -0.70 -5.04 119.30 114.00 1l2a s MET 664 Ca 0.04 1.46 -0.12 0.00 -1.71 0.00 0.00 55.69 55.35 1l2a s MET 664 Cb 0.09 -1.86 0.02 0.00 2.01 0.00 0.00 34.83 35.09 1l2a s MET 664 CO 0.72 -1.81 0.26 -0.08 -0.01 0.00 0.00 175.02 174.10 1l2a s THR 665 N -2.48 0.06 0.39 2.05 -1.32 -1.26 -4.28 115.64 108.80 1l2a s THR 665 Ca 0.67 -0.50 -0.26 0.00 -1.21 0.00 0.00 61.69 60.39 1l2a s THR 665 Cb -0.22 -0.55 -0.09 0.00 -1.51 0.00 0.00 72.50 70.13 1l2a s THR 665 CO 0.50 -0.28 1.21 -0.47 -2.21 0.00 0.00 174.62 173.37 1l2a s TYR 666 N -1.24 3.05 0.02 9.09 5.04 0.11 -4.83 117.35 128.58 1l2a s TYR 666 Ca -0.13 1.52 0.01 0.00 -2.44 0.00 0.00 57.07 56.04 1l2a s TYR 666 Cb -0.06 -3.47 -0.01 0.00 0.35 0.00 0.00 41.96 38.77 1l2a s TYR 666 CO 0.03 -1.48 -0.05 -1.59 -1.34 0.00 0.00 175.55 171.12 1l2a s LYS 667 N -2.18 0.39 0.06 4.97 0.00 -1.26 0.10 119.74 121.83 1l2a s LYS 667 Ca 0.55 -0.45 -0.31 0.00 0.00 0.00 0.00 55.97 55.77 1l2a s LYS 667 Cb -0.33 -0.23 -0.08 0.00 0.00 0.00 0.00 37.83 37.18 1l2a s LYS 667 CO 0.42 0.05 1.63 0.14 0.00 0.00 0.00 175.35 177.59 1l2a s VAL 668 N -0.80 3.10 -2.00 1.79 -7.23 -1.26 -4.93 120.40 109.07 1l2a s VAL 668 Ca -0.06 0.54 0.11 0.00 -1.81 0.00 0.00 61.98 60.76 1l2a s VAL 668 Cb -0.06 -3.35 0.31 0.00 0.56 0.00 0.00 36.38 33.84 1l2a s VAL 668 CO -0.00 -0.00 1.08 -2.65 -0.31 0.00 0.00 175.10 173.22