#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a99 s LYS 30 N 0.00 4.28 0.14 3.69 1.02 -1.26 -5.01 119.74 122.60 1a99 s LYS 30 Ca 0.00 0.84 0.02 0.00 0.02 0.00 0.00 55.97 56.85 1a99 s LYS 30 Cb 0.00 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1a99 s LYS 30 CO 0.00 0.58 -0.04 0.95 -0.92 0.00 0.00 175.35 175.93 1a99 s THR 31 N -1.19 0.76 -0.09 2.17 -4.23 -1.26 -0.80 115.64 111.00 1a99 s THR 31 Ca 0.33 -1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 58.81 1a99 s THR 31 Cb -0.20 -1.92 0.04 0.00 1.34 0.00 0.00 72.50 71.76 1a99 s THR 31 CO 0.21 -0.66 0.22 -0.22 -0.54 0.00 0.00 174.62 173.63 1a99 s LEU 32 N -3.13 0.74 -0.20 4.79 0.20 -0.40 -4.78 118.68 115.90 1a99 s LEU 32 Ca 0.18 0.46 -0.03 0.00 0.69 0.00 0.00 54.13 55.43 1a99 s LEU 32 Cb 0.05 0.68 -0.01 0.00 -0.43 0.00 0.00 46.19 46.49 1a99 s LEU 32 CO 0.00 -0.13 -0.07 -1.00 -0.29 0.00 0.00 176.35 174.86 1a99 s HIS 33 N 0.83 2.92 -0.02 5.38 3.76 -1.26 -0.18 115.29 126.72 1a99 s HIS 33 Ca -0.06 -0.94 0.07 0.00 -0.15 0.00 0.00 55.06 53.99 1a99 s HIS 33 Cb -0.07 -2.04 -0.02 0.00 1.11 0.00 0.00 32.58 31.56 1a99 s HIS 33 CO -0.05 -0.50 -0.23 0.42 -0.85 0.00 0.00 174.74 173.53 1a99 s ILE 34 N 1.26 1.83 -0.22 0.60 1.01 0.11 -0.90 121.20 124.88 1a99 s ILE 34 Ca 0.03 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1a99 s ILE 34 Cb -0.14 -1.52 0.05 0.00 0.01 0.00 0.00 42.46 40.86 1a99 s ILE 34 CO -0.03 0.52 -0.09 -0.47 0.00 0.00 0.00 174.94 174.87 1a99 s TYR 35 N -0.53 2.63 0.12 3.97 5.04 -0.19 -0.70 117.35 127.69 1a99 s TYR 35 Ca 0.08 -1.82 -0.00 0.00 -2.44 0.00 0.00 57.07 52.89 1a99 s TYR 35 Cb -0.09 -1.70 -0.04 0.00 0.35 0.00 0.00 41.96 40.48 1a99 s TYR 35 CO -0.01 -0.79 0.02 1.21 -1.34 0.00 0.00 175.55 174.64 1a99 s ASN 36 N 1.32 0.60 0.64 4.32 3.04 -0.31 -2.37 114.94 122.18 1a99 s ASN 36 Ca -0.04 -1.14 -0.18 0.00 0.04 0.00 0.00 52.86 51.54 1a99 s ASN 36 Cb -0.18 0.22 -0.01 0.00 -1.54 0.00 0.00 41.25 39.74 1a99 s ASN 36 CO -0.07 -0.65 1.27 0.26 -3.04 0.00 0.00 177.10 174.87 1a99 s TRP 37 N -3.91 2.15 0.68 0.43 0.52 -1.26 -1.74 118.94 115.81 1a99 s TRP 37 Ca 0.19 1.50 -0.13 0.00 0.02 0.00 0.00 56.10 57.69 1a99 s TRP 37 Cb 0.07 -3.62 0.01 0.00 -1.15 0.00 0.00 33.47 28.77 1a99 s TRP 37 CO -0.01 -2.73 1.08 -1.54 0.02 0.00 0.00 176.95 173.77 1a99 s SER 38 N -1.50 5.19 -1.43 2.95 1.04 -0.42 -3.60 113.70 115.93 1a99 s SER 38 Ca 0.81 1.82 -0.02 0.00 0.48 0.00 0.00 55.95 59.03 1a99 s SER 38 Cb -0.35 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.26 1a99 s SER 38 CO 0.39 -1.57 0.47 0.47 0.98 0.00 0.00 173.24 173.98 1a99 n ASP 39 N -2.77 -0.67 -1.10 7.02 8.00 -1.26 -4.88 116.55 120.89 1a99 n ASP 39 Ca 0.09 -0.99 0.04 0.00 0.71 0.00 0.00 54.79 54.63 1a99 n ASP 39 Cb 0.53 -3.11 0.05 0.00 -0.02 0.00 0.00 41.12 38.56 1a99 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a99 n TYR 40 N -4.40 0.00 -3.51 1.24 9.36 -1.24 -4.96 117.16 113.66 1a99 n TYR 40 Ca -0.27 -0.54 -0.10 0.00 3.32 0.00 0.00 57.90 60.31 1a99 n TYR 40 Cb 0.67 -0.14 -0.02 0.00 -0.63 0.00 0.00 39.34 39.22 1a99 n TYR 40 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1a99 s ILE 41 N -0.55 0.00 0.30 2.97 2.07 -1.26 -4.97 121.20 119.77 1a99 s ILE 41 Ca 0.27 -0.14 -0.26 0.00 -1.41 0.00 0.00 60.65 59.11 1a99 s ILE 41 Cb 0.30 -1.16 -0.10 0.00 0.13 0.00 0.00 42.46 41.63 1a99 s ILE 41 CO -0.11 0.00 0.92 0.00 -1.91 0.00 0.00 174.94 173.84 1a99 s ALA 42 N -3.56 3.24 0.35 1.50 0.00 -1.26 -4.82 121.76 117.21 1a99 s ALA 42 Ca 0.04 0.49 0.20 0.00 0.00 0.00 0.00 51.96 52.69 1a99 s ALA 42 Cb -0.02 -3.15 1.10 0.00 0.00 0.00 0.00 23.12 21.06 1a99 s ALA 42 CO -0.09 0.19 1.57 -1.35 0.00 0.00 0.00 175.76 176.08 1a99 h PRO 43 N 3.29 0.00 -0.00 0.00 0.11 -1.97 -2.59 132.00 130.83 1a99 h PRO 43 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1a99 h PRO 43 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1a99 h PRO 43 CO 0.65 0.00 -0.18 -0.40 -0.21 0.00 0.00 178.00 177.86 1a99 n ASP 44 N -2.46 0.61 -0.29 -2.05 5.68 -1.26 -4.73 116.55 112.05 1a99 n ASP 44 Ca -0.01 -0.80 0.12 0.00 -0.50 0.00 0.00 54.79 53.59 1a99 n ASP 44 Cb 0.38 0.71 0.27 0.00 -1.14 0.00 0.00 41.12 41.35 1a99 n ASP 44 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1a99 h THR 45 N 0.34 0.34 -0.06 2.12 2.02 -1.85 0.27 112.91 116.08 1a99 h THR 45 Ca 0.00 -0.07 -0.22 0.00 0.77 0.00 0.00 66.41 66.89 1a99 h THR 45 Cb 0.16 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1a99 h THR 45 CO 0.00 0.04 -0.81 0.58 0.37 0.00 0.00 175.52 175.70 1a99 h VAL 46 N 0.21 1.32 -0.55 3.16 2.07 -1.85 -2.17 116.25 118.44 1a99 h VAL 46 Ca 0.53 -2.08 0.02 0.00 0.82 0.00 0.00 66.70 65.99 1a99 h VAL 46 Cb 1.05 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 1a99 h VAL 46 CO -0.64 0.64 0.34 0.00 0.02 0.00 0.00 177.57 177.93 1a99 h ALA 47 N 0.44 0.70 0.12 1.67 0.00 -1.60 0.56 119.26 121.14 1a99 h ALA 47 Ca -0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a99 h ALA 47 Cb 1.47 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1a99 h ALA 47 CO 0.16 0.07 -0.06 -0.91 0.00 0.00 0.00 179.25 178.52 1a99 h ASN 48 N 0.68 -0.15 -0.97 0.00 2.35 -1.00 -0.93 115.58 115.56 1a99 h ASN 48 Ca 0.21 0.01 0.07 0.00 -0.55 0.00 0.00 56.30 56.04 1a99 h ASN 48 Cb -0.01 0.04 -0.07 0.00 0.05 0.00 0.00 38.32 38.33 1a99 h ASN 48 CO -0.08 -0.10 0.63 0.15 -1.65 0.00 0.00 177.43 176.38 1a99 h PHE 49 N -0.17 1.15 -0.29 1.19 3.57 -1.08 -1.26 116.94 120.05 1a99 h PHE 49 Ca -0.01 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1a99 h PHE 49 Cb 0.13 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 1a99 h PHE 49 CO -0.08 0.58 0.02 0.93 -2.23 0.00 0.00 178.31 177.54 1a99 h GLU 50 N 1.11 0.50 -0.32 1.11 5.08 -0.44 -1.45 114.58 120.17 1a99 h GLU 50 Ca 0.43 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1a99 h GLU 50 Cb 0.21 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1a99 h GLU 50 CO -0.17 0.63 0.20 0.87 -1.00 0.00 0.00 179.01 179.53 1a99 h LYS 51 N 0.30 0.40 -0.08 2.33 1.79 -0.59 0.50 116.57 121.22 1a99 h LYS 51 Ca 0.08 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.43 1a99 h LYS 51 Cb 0.39 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1a99 h LYS 51 CO 0.01 0.26 -0.42 1.49 -1.08 0.00 0.00 179.45 179.72 1a99 h GLU 52 N 0.41 0.18 0.00 3.15 4.81 -1.20 -3.34 114.58 118.58 1a99 h GLU 52 Ca 0.12 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1a99 h GLU 52 Cb -0.02 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1a99 h GLU 52 CO -0.04 0.57 -1.29 0.25 -0.73 0.00 0.00 179.01 177.77 1a99 n THR 53 N -4.03 0.00 -0.94 0.32 -2.24 -0.55 -4.99 114.28 101.85 1a99 n THR 53 Ca -0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1a99 n THR 53 Cb 0.47 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1a99 n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a99 n GLY 54 N 1.76 0.63 3.72 3.38 0.00 0.17 -4.99 105.19 109.86 1a99 n GLY 54 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1a99 n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a99 s ILE 55 N -2.72 4.83 -0.16 -0.61 1.01 -1.25 -4.68 121.20 117.62 1a99 s ILE 55 Ca 0.00 1.81 -0.23 0.00 0.00 0.00 0.00 60.65 62.23 1a99 s ILE 55 Cb 0.00 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 1a99 s ILE 55 CO 0.00 0.26 0.72 -0.75 0.00 0.00 0.00 174.94 175.16 1a99 s LYS 56 N 0.55 4.29 -0.17 2.79 2.36 0.02 -4.46 119.74 125.12 1a99 s LYS 56 Ca 0.44 0.81 -0.05 0.00 -2.55 0.00 0.00 55.97 54.63 1a99 s LYS 56 Cb -0.20 -3.55 -0.03 0.00 -1.05 0.00 0.00 37.83 33.00 1a99 s LYS 56 CO 0.25 -0.20 0.00 0.08 1.55 0.00 0.00 175.35 177.03 1a99 s VAL 57 N 1.74 4.23 -0.31 4.02 1.01 -1.26 -1.27 120.40 128.56 1a99 s VAL 57 Ca 0.34 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 1a99 s VAL 57 Cb -0.16 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.35 1a99 s VAL 57 CO 0.13 0.48 0.11 -0.69 0.00 0.00 0.00 175.10 175.12 1a99 s VAL 58 N 0.38 4.08 -0.21 2.92 1.01 0.75 -4.96 120.40 124.36 1a99 s VAL 58 Ca -0.01 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1a99 s VAL 58 Cb -0.13 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1a99 s VAL 58 CO 0.02 0.00 -0.08 -0.47 0.00 0.00 0.00 175.10 174.57 1a99 s TYR 59 N 1.50 2.93 0.09 5.22 5.04 -1.26 -0.71 117.35 130.15 1a99 s TYR 59 Ca 0.02 -1.19 0.09 0.00 -2.44 0.00 0.00 57.07 53.55 1a99 s TYR 59 Cb -0.18 -2.05 -0.04 0.00 0.35 0.00 0.00 41.96 40.04 1a99 s TYR 59 CO 0.03 -0.64 -0.22 -0.51 -1.34 0.00 0.00 175.55 172.87 1a99 s ASP 60 N 1.41 3.56 0.22 4.32 1.01 0.12 -4.99 116.67 122.32 1a99 s ASP 60 Ca 0.05 -0.59 0.10 0.00 0.71 0.00 0.00 52.55 52.82 1a99 s ASP 60 Cb -0.14 -0.42 -0.05 0.00 1.01 0.00 0.00 42.92 43.33 1a99 s ASP 60 CO -0.06 0.21 -0.19 0.68 0.21 0.00 0.00 175.17 176.02 1a99 s VAL 61 N -1.00 2.14 0.24 -1.27 -7.23 -1.25 -1.16 120.40 110.87 1a99 s VAL 61 Ca 0.15 -2.16 -0.02 0.00 -1.81 0.00 0.00 61.98 58.14 1a99 s VAL 61 Cb -0.10 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 1a99 s VAL 61 CO 0.06 -0.35 0.24 0.72 -0.31 0.00 0.00 175.10 175.46 1a99 s PHE 62 N -2.29 1.12 -0.01 2.82 -0.12 -0.71 -4.87 117.98 113.91 1a99 s PHE 62 Ca 0.23 -1.31 0.08 0.00 -0.05 0.00 0.00 56.93 55.88 1a99 s PHE 62 Cb -0.05 -0.42 0.13 0.00 -0.63 0.00 0.00 43.02 42.05 1a99 s PHE 62 CO 0.10 -0.78 1.06 -0.40 -0.05 0.00 0.00 175.22 175.15 1a99 n ASP 63 N -0.60 0.40 -3.73 1.98 5.75 -1.26 -1.30 116.55 117.79 1a99 n ASP 63 Ca 0.02 -2.09 -0.12 0.00 -0.01 0.00 0.00 54.79 52.59 1a99 n ASP 63 Cb 0.64 -0.24 -0.13 0.00 -1.03 0.00 0.00 41.12 40.36 1a99 n ASP 63 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1a99 s SER 64 N -1.39 -0.29 0.36 -1.12 0.15 -1.26 -4.78 113.70 105.37 1a99 s SER 64 Ca 0.11 0.55 0.09 0.00 0.70 0.00 0.00 55.95 57.40 1a99 s SER 64 Cb 0.12 0.46 0.67 0.00 -1.71 0.00 0.00 66.02 65.56 1a99 s SER 64 CO -0.04 -0.16 1.84 0.78 1.20 0.00 0.00 173.24 176.86 1a99 h ASN 65 N 6.97 0.23 -0.39 5.45 2.35 -1.97 -2.84 115.58 125.38 1a99 h ASN 65 Ca -0.38 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.22 1a99 h ASN 65 Cb 1.16 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 1a99 h ASN 65 CO 0.36 0.47 -0.08 -0.33 -1.65 0.00 0.00 177.43 176.21 1a99 h GLU 66 N 0.22 0.74 -0.62 0.81 3.07 -1.96 0.73 114.58 117.56 1a99 h GLU 66 Ca 0.04 -0.27 -0.02 0.00 -0.50 0.00 0.00 59.36 58.60 1a99 h GLU 66 Cb 0.53 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.36 1a99 h GLU 66 CO 0.04 0.87 0.31 0.28 -1.40 0.00 0.00 179.01 179.10 1a99 h VAL 67 N 0.55 1.21 0.10 3.13 2.07 -1.94 0.16 116.25 121.53 1a99 h VAL 67 Ca 0.10 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1a99 h VAL 67 Cb 0.59 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1a99 h VAL 67 CO 0.03 0.24 -0.05 0.25 0.02 0.00 0.00 177.57 178.07 1a99 h LEU 68 N 0.85 -0.11 -0.81 2.57 6.46 -1.34 -2.17 115.31 120.76 1a99 h LEU 68 Ca 0.21 -0.12 0.11 0.00 -0.12 0.00 0.00 57.88 57.97 1a99 h LEU 68 Cb 0.10 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 39.98 1a99 h LEU 68 CO -0.03 0.05 0.43 -0.08 -0.62 0.00 0.00 178.44 178.20 1a99 h GLU 69 N -0.27 0.67 -0.03 1.25 4.81 -0.61 -0.87 114.58 119.54 1a99 h GLU 69 Ca -0.01 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1a99 h GLU 69 Cb 0.22 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 1a99 h GLU 69 CO 0.02 0.44 -0.30 0.78 -0.73 0.00 0.00 179.01 179.23 1a99 h GLY 70 N 0.69 -0.46 2.00 1.92 0.00 -0.61 0.11 103.07 106.72 1a99 h GLY 70 Ca 0.41 0.36 -0.06 0.00 0.00 0.00 0.00 47.33 48.05 1a99 h GLY 70 CO -0.29 -0.22 -0.27 0.50 0.00 0.00 0.00 176.54 176.26 1a99 h LYS 71 N -0.43 0.00 -0.11 4.80 1.57 -0.75 -1.57 116.57 120.08 1a99 h LYS 71 Ca 0.07 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1a99 h LYS 71 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1a99 h LYS 71 CO -0.27 0.27 -0.36 -0.07 -0.57 0.00 0.00 179.45 178.45 1a99 h LEU 72 N 0.00 0.51 -0.86 2.94 3.38 -0.40 -2.79 115.31 118.08 1a99 h LEU 72 Ca -0.00 -0.61 -0.05 0.00 0.09 0.00 0.00 57.88 57.31 1a99 h LEU 72 Cb 0.50 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1a99 h LEU 72 CO 0.03 1.03 0.30 0.24 0.09 0.00 0.00 178.44 180.13 1a99 h MET 73 N 0.01 1.14 0.00 1.13 2.86 -0.64 -1.42 114.93 118.01 1a99 h MET 73 Ca -0.01 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1a99 h MET 73 Cb 0.99 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 1a99 h MET 73 CO 0.08 0.92 -0.02 0.00 1.06 0.00 0.00 176.91 178.95 1a99 h ALA 74 N 1.21 1.18 0.00 6.32 0.00 -1.27 -3.48 119.26 123.21 1a99 h ALA 74 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1a99 h ALA 74 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1a99 h ALA 74 CO -0.02 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1a99 n GLY 75 N -0.97 -1.82 4.10 0.00 0.00 -0.53 -4.97 105.19 101.01 1a99 n GLY 75 Ca -0.02 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 1a99 n GLY 75 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a99 n SER 76 N -2.37 -2.67 0.16 1.61 7.64 -1.26 -4.86 113.62 111.86 1a99 n SER 76 Ca 0.00 -1.26 0.02 0.00 1.01 0.00 0.00 58.87 58.64 1a99 n SER 76 Cb 0.00 -1.87 0.34 0.00 -1.01 0.00 0.00 64.21 61.67 1a99 n SER 76 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1a99 h THR 77 N -2.32 1.26 0.00 0.44 1.35 -1.92 -3.47 112.91 108.25 1a99 h THR 77 Ca -0.69 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 1a99 h THR 77 Cb 1.40 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 1a99 h THR 77 CO 0.57 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.81 1a99 n GLY 78 N -0.49 0.51 3.55 5.82 0.00 -1.26 -5.05 105.19 108.27 1a99 n GLY 78 Ca -0.02 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 1a99 n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a99 s PHE 79 N -2.00 2.80 -0.08 1.61 0.08 -1.26 -4.81 117.98 114.32 1a99 s PHE 79 Ca 0.00 -0.09 0.15 0.00 0.12 0.00 0.00 56.93 57.11 1a99 s PHE 79 Cb 0.00 -1.60 -0.22 0.00 -0.57 0.00 0.00 43.02 40.64 1a99 s PHE 79 CO 0.00 0.32 0.59 -0.25 -0.10 0.00 0.00 175.22 175.78 1a99 n ASP 80 N 1.75 0.71 -3.82 1.36 8.00 -0.08 -4.48 116.55 119.99 1a99 n ASP 80 Ca -0.16 0.33 -0.13 0.00 0.71 0.00 0.00 54.79 55.55 1a99 n ASP 80 Cb 0.52 0.19 -0.14 0.00 -0.02 0.00 0.00 41.12 41.68 1a99 n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1a99 s LEU 81 N -5.90 1.48 0.10 0.64 1.43 -1.03 -4.05 118.68 111.35 1a99 s LEU 81 Ca -0.05 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1a99 s LEU 81 Cb 0.08 0.29 -0.04 0.00 0.03 0.00 0.00 46.19 46.54 1a99 s LEU 81 CO 0.82 -0.06 -0.08 0.68 0.23 0.00 0.00 176.35 177.95 1a99 s VAL 82 N 0.29 0.83 -0.60 -1.59 -7.23 -0.74 -1.03 120.40 110.33 1a99 s VAL 82 Ca -0.02 -1.80 0.06 0.00 -1.81 0.00 0.00 61.98 58.41 1a99 s VAL 82 Cb -0.03 -1.53 0.21 0.00 0.56 0.00 0.00 36.38 35.59 1a99 s VAL 82 CO -0.01 -0.72 0.58 0.52 -0.31 0.00 0.00 175.10 175.16 1a99 n VAL 83 N 0.23 1.29 -1.96 1.32 0.31 -1.00 -1.11 118.33 117.40 1a99 n VAL 83 Ca -0.14 -4.73 -0.30 0.00 -0.01 0.00 0.00 64.34 59.16 1a99 n VAL 83 Cb 0.59 -2.06 0.01 0.00 -0.91 0.00 0.00 33.84 31.48 1a99 n VAL 83 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1a99 s PRO 84 N -1.67 3.47 0.58 5.55 0.04 -1.16 -4.67 135.00 137.14 1a99 s PRO 84 Ca 0.33 0.63 -0.16 0.00 0.04 0.00 0.00 61.00 61.85 1a99 s PRO 84 Cb 0.08 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1a99 s PRO 84 CO -0.10 -0.61 1.06 -1.12 0.04 0.00 0.00 177.00 176.27 1a99 s SER 85 N -4.20 5.84 0.40 6.66 0.01 -1.26 -1.68 113.70 119.47 1a99 s SER 85 Ca 0.55 1.84 0.07 0.00 1.31 0.00 0.00 55.95 59.72 1a99 s SER 85 Cb -0.11 -2.54 0.85 0.00 0.21 0.00 0.00 66.02 64.43 1a99 s SER 85 CO 0.53 -1.13 2.04 0.00 0.41 0.00 0.00 173.24 175.09 1a99 h ALA 86 N 0.58 1.73 -0.37 1.44 0.00 -1.30 -1.53 119.26 119.82 1a99 h ALA 86 Ca -0.47 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1a99 h ALA 86 Cb 1.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1a99 h ALA 86 CO 0.58 0.23 -0.17 0.66 0.00 0.00 0.00 179.25 180.55 1a99 h SER 87 N 0.58 0.68 0.80 0.00 4.64 -1.87 -2.08 113.55 116.30 1a99 h SER 87 Ca 0.18 -0.21 -0.15 0.00 -0.47 0.00 0.00 61.79 61.13 1a99 h SER 87 Cb 0.02 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 1a99 h SER 87 CO -0.04 0.85 -0.73 -0.26 -0.87 0.00 0.00 176.83 175.78 1a99 h PHE 88 N 0.61 0.00 -0.62 4.77 -1.00 -1.83 -3.17 116.94 115.70 1a99 h PHE 88 Ca 0.10 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.85 1a99 h PHE 88 Cb 0.63 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.16 1a99 h PHE 88 CO 0.03 0.73 0.30 1.25 -1.61 0.00 0.00 178.31 179.00 1a99 h LEU 89 N 0.00 0.81 -0.81 1.54 7.12 -0.87 -2.11 115.31 120.99 1a99 h LEU 89 Ca -0.01 -0.13 0.09 0.00 0.13 0.00 0.00 57.88 57.96 1a99 h LEU 89 Cb 1.32 -0.21 -0.07 0.00 -0.53 0.00 0.00 40.66 41.18 1a99 h LEU 89 CO 0.09 0.71 0.47 -0.08 -0.13 0.00 0.00 178.44 179.50 1a99 h GLU 90 N 0.85 0.78 -0.16 1.25 4.81 -1.36 -0.28 114.58 120.47 1a99 h GLU 90 Ca 0.21 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1a99 h GLU 90 Cb 0.12 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1a99 h GLU 90 CO -0.03 0.51 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.60 1a99 h ARG 91 N 0.80 0.33 0.00 1.92 2.43 -1.57 -3.14 114.38 115.15 1a99 h ARG 91 Ca 0.38 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1a99 h ARG 91 Cb 0.32 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1a99 h ARG 91 CO -0.23 0.65 -0.15 1.96 -1.51 0.00 0.00 179.97 180.69 1a99 h GLN 92 N 0.00 0.00 -0.61 0.20 4.20 -0.94 -2.35 115.11 115.62 1a99 h GLN 92 Ca 0.03 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 1a99 h GLN 92 Cb 0.56 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1a99 h GLN 92 CO 0.02 0.15 0.07 -0.07 -0.67 0.00 0.00 178.83 178.33 1a99 h LEU 93 N 0.00 1.00 -0.81 1.46 3.38 -1.02 -2.71 115.31 116.61 1a99 h LEU 93 Ca -0.00 -0.28 0.11 0.00 0.09 0.00 0.00 57.88 57.81 1a99 h LEU 93 Cb 0.37 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 1a99 h LEU 93 CO 0.02 1.03 0.43 0.74 0.09 0.00 0.00 178.44 180.75 1a99 h THR 94 N 0.94 0.82 0.00 0.22 2.02 -1.40 0.21 112.91 115.72 1a99 h THR 94 Ca 0.18 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1a99 h THR 94 Cb 0.47 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1a99 h THR 94 CO 0.02 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.03 1a99 n ALA 95 N -2.40 2.45 -2.48 6.16 0.00 -1.04 -4.90 120.51 118.29 1a99 n ALA 95 Ca 0.14 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 1a99 n ALA 95 Cb 0.34 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.39 1a99 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a99 n GLY 96 N 0.60 -0.21 0.15 0.00 0.00 0.74 -4.94 105.19 101.53 1a99 n GLY 96 Ca 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1a99 n GLY 96 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a99 h VAL 97 N -0.39 1.41 -2.89 1.61 2.07 -1.70 -3.46 116.25 112.90 1a99 h VAL 97 Ca -0.36 -1.97 -0.60 0.00 0.82 0.00 0.00 66.70 64.59 1a99 h VAL 97 Cb 1.26 2.05 -0.11 0.00 -1.52 0.00 0.00 31.29 32.97 1a99 h VAL 97 CO 0.41 0.57 -0.64 -0.36 0.02 0.00 0.00 177.57 177.56 1a99 s PHE 98 N -3.72 2.90 0.08 1.57 0.08 -1.26 -0.21 117.98 117.41 1a99 s PHE 98 Ca -0.02 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 56.93 1a99 s PHE 98 Cb 0.13 -1.41 -0.04 0.00 -0.57 0.00 0.00 43.02 41.13 1a99 s PHE 98 CO 0.76 0.51 0.22 1.14 -0.10 0.00 0.00 175.22 177.76 1a99 s GLN 99 N -2.91 3.41 0.46 0.44 -2.07 -0.35 -4.58 119.66 114.06 1a99 s GLN 99 Ca 0.28 -0.48 -0.23 0.00 -1.82 0.00 0.00 55.36 53.10 1a99 s GLN 99 Cb -0.10 -3.01 -0.07 0.00 -1.09 0.00 0.00 33.01 28.74 1a99 s GLN 99 CO 0.19 0.59 1.19 -2.14 -1.32 0.00 0.00 175.29 173.80 1a99 s PRO 100 N -2.65 3.72 -0.09 9.60 0.02 -1.26 -4.56 135.00 139.78 1a99 s PRO 100 Ca 0.35 1.84 -0.27 0.00 0.02 0.00 0.00 61.00 62.94 1a99 s PRO 100 Cb -0.13 -2.42 -0.02 0.00 0.02 0.00 0.00 34.50 31.95 1a99 s PRO 100 CO 0.28 -0.60 0.87 -0.51 -0.33 0.00 0.00 177.00 176.70 1a99 s LEU 101 N -3.02 4.27 -0.66 -5.54 1.43 -0.08 -4.99 118.68 110.09 1a99 s LEU 101 Ca 0.64 1.36 -0.27 0.00 -1.03 0.00 0.00 54.13 54.83 1a99 s LEU 101 Cb -0.30 -3.34 0.03 0.00 0.03 0.00 0.00 46.19 42.61 1a99 s LEU 101 CO 0.37 -0.30 1.19 -0.62 0.23 0.00 0.00 176.35 177.22 1a99 s ASP 102 N 1.02 6.28 0.43 2.29 2.15 -1.26 -4.87 116.67 122.71 1a99 s ASP 102 Ca 0.43 -0.29 0.30 0.00 0.43 0.00 0.00 52.55 53.42 1a99 s ASP 102 Cb -0.18 -2.53 1.36 0.00 -0.30 0.00 0.00 42.92 41.26 1a99 s ASP 102 CO 0.19 -1.63 1.90 0.11 -0.17 0.00 0.00 175.17 175.57 1a99 h LYS 103 N 9.76 0.00 0.00 4.34 1.57 -1.94 -1.85 116.57 128.45 1a99 h LYS 103 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1a99 h LYS 103 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1a99 h LYS 103 CO 1.22 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.97 1a99 n SER 104 N -2.67 0.57 -1.04 0.86 3.41 -1.26 -1.66 113.62 111.83 1a99 n SER 104 Ca 0.00 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.37 1a99 n SER 104 Cb 0.21 -0.76 0.26 0.00 -0.26 0.00 0.00 64.21 63.65 1a99 n SER 104 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a99 n LYS 105 N -2.13 2.35 -3.62 4.33 5.02 -0.70 -4.54 118.16 118.87 1a99 n LYS 105 Ca 0.02 -2.05 -0.27 0.00 -2.02 0.00 0.00 58.31 53.99 1a99 n LYS 105 Cb 0.22 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 1a99 n LYS 105 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a99 n LEU 106 N 1.24 1.65 -0.25 -0.35 4.77 -0.66 -4.92 117.00 118.47 1a99 n LEU 106 Ca 0.19 -4.90 0.04 0.00 -0.03 0.00 0.00 56.01 51.31 1a99 n LEU 106 Cb 0.54 -0.19 0.17 0.00 -2.33 0.00 0.00 43.42 41.62 1a99 n LEU 106 CO 0.15 1.85 1.02 -0.65 -1.33 0.00 0.00 177.39 178.43 1a99 h PRO 107 N 5.25 0.45 -0.95 3.23 0.11 -1.80 -2.37 132.00 135.94 1a99 h PRO 107 Ca 0.19 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 1a99 h PRO 107 Cb 0.81 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 1a99 h PRO 107 CO 0.59 0.30 0.06 0.39 -0.21 0.00 0.00 178.00 179.13 1a99 n GLU 108 N -4.98 1.61 -0.18 1.05 1.02 -1.26 -4.22 120.64 113.68 1a99 n GLU 108 Ca 0.13 -0.68 0.11 0.00 -0.02 0.00 0.00 57.16 56.70 1a99 n GLU 108 Cb 0.38 -1.49 0.43 0.00 -0.02 0.00 0.00 31.44 30.74 1a99 n GLU 108 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1a99 h TRP 109 N 0.59 0.64 0.00 -0.32 2.91 -1.79 -1.07 115.95 116.91 1a99 h TRP 109 Ca 0.06 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.10 1a99 h TRP 109 Cb 1.08 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.53 1a99 h TRP 109 CO 0.29 0.29 0.00 1.63 -1.03 0.00 0.00 178.44 179.62 1a99 n LYS 110 N -4.50 0.07 0.23 2.65 4.01 -1.26 -1.72 118.16 117.64 1a99 n LYS 110 Ca 0.13 0.23 0.12 0.00 -0.51 0.00 0.00 58.31 58.28 1a99 n LYS 110 Cb 0.38 -1.50 0.36 0.00 -0.51 0.00 0.00 35.03 33.76 1a99 n LYS 110 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 1a99 h ASN 111 N 0.00 0.00 -3.39 4.39 2.35 -1.54 -3.46 115.58 113.93 1a99 h ASN 111 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 1a99 h ASN 111 Cb 0.04 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.45 1a99 h ASN 111 CO 0.00 0.09 0.69 -0.76 -1.65 0.00 0.00 177.43 175.80 1a99 s LEU 112 N -6.32 4.41 0.10 1.61 1.43 -0.70 0.17 118.68 119.38 1a99 s LEU 112 Ca 0.04 2.50 -0.32 0.00 -1.03 0.00 0.00 54.13 55.32 1a99 s LEU 112 Cb 0.07 -3.62 -0.12 0.00 0.03 0.00 0.00 46.19 42.56 1a99 s LEU 112 CO 0.63 -0.59 1.77 -0.67 0.23 0.00 0.00 176.35 177.73 1a99 n ASP 113 N 2.49 3.70 0.22 2.29 -0.08 0.16 -4.64 116.55 120.69 1a99 n ASP 113 Ca 0.06 1.01 0.08 0.00 -1.51 0.00 0.00 54.79 54.43 1a99 n ASP 113 Cb 0.42 -1.49 0.52 0.00 2.34 0.00 0.00 41.12 42.92 1a99 n ASP 113 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1a99 h PRO 114 N 7.89 0.00 -0.17 -0.67 0.13 -1.92 -2.59 132.00 134.68 1a99 h PRO 114 Ca -0.46 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 1a99 h PRO 114 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1a99 h PRO 114 CO 0.93 0.24 -0.65 1.49 -0.23 0.00 0.00 178.00 179.78 1a99 h GLU 115 N 0.00 0.62 -0.13 0.86 4.81 -1.98 -2.50 114.58 116.26 1a99 h GLU 115 Ca -0.00 -0.45 -0.13 0.00 -0.13 0.00 0.00 59.36 58.65 1a99 h GLU 115 Cb 0.53 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1a99 h GLU 115 CO 0.03 1.07 -0.50 -0.07 -0.73 0.00 0.00 179.01 178.81 1a99 h LEU 116 N 0.45 0.38 -1.28 1.64 3.38 -1.89 -2.68 115.31 115.30 1a99 h LEU 116 Ca -0.02 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1a99 h LEU 116 Cb 1.23 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1a99 h LEU 116 CO 0.13 0.81 -0.35 -0.07 0.09 0.00 0.00 178.44 179.05 1a99 h LEU 117 N 0.27 0.00 -0.21 1.67 3.38 -1.35 -1.71 115.31 117.36 1a99 h LEU 117 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1a99 h LEU 117 Cb 0.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1a99 h LEU 117 CO 0.08 0.35 -0.11 0.11 0.09 0.00 0.00 178.44 178.97 1a99 h LYS 118 N 0.00 0.44 -0.73 1.13 1.57 -1.15 -0.64 116.57 117.18 1a99 h LYS 118 Ca -0.00 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 1a99 h LYS 118 Cb 0.66 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 1a99 h LYS 118 CO 0.05 0.73 0.27 -0.07 -0.57 0.00 0.00 179.45 179.85 1a99 h LEU 119 N 0.14 1.03 -0.78 2.94 3.38 -1.19 -2.13 115.31 118.70 1a99 h LEU 119 Ca 0.05 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1a99 h LEU 119 Cb 0.60 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1a99 h LEU 119 CO 0.03 0.94 -0.29 0.58 0.09 0.00 0.00 178.44 179.80 1a99 h VAL 120 N 1.07 0.62 0.00 1.22 2.07 -1.30 -3.02 116.25 116.90 1a99 h VAL 120 Ca 0.24 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1a99 h VAL 120 Cb 0.25 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1a99 h VAL 120 CO -0.02 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.86 1a99 h ALA 121 N 1.71 1.00 0.00 1.67 0.00 -0.41 -0.04 119.26 123.20 1a99 h ALA 121 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1a99 h ALA 121 Cb 0.92 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1a99 h ALA 121 CO 0.04 0.00 -0.28 0.87 0.00 0.00 0.00 179.25 179.88 1a99 h LYS 122 N 0.00 0.00 0.00 0.00 1.57 -1.45 -1.90 116.57 114.79 1a99 h LYS 122 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1a99 h LYS 122 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1a99 h LYS 122 CO 0.00 0.28 -2.03 0.72 -0.57 0.00 0.00 179.45 177.85 1a99 n HIS 123 N -4.04 0.00 -3.56 -1.35 8.25 -0.55 -4.73 115.22 109.25 1a99 n HIS 123 Ca -0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.15 1a99 n HIS 123 Cb 0.34 -0.60 -0.12 0.00 1.12 0.00 0.00 29.99 30.74 1a99 n HIS 123 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1a99 s ASP 124 N -4.61 2.96 0.22 0.41 2.15 -0.14 -4.29 116.67 113.39 1a99 s ASP 124 Ca -0.08 -2.65 -0.32 0.00 0.43 0.00 0.00 52.55 49.94 1a99 s ASP 124 Cb 0.11 -0.70 -0.12 0.00 -0.30 0.00 0.00 42.92 41.91 1a99 s ASP 124 CO 0.81 -0.25 1.71 -2.16 -0.17 0.00 0.00 175.17 175.12 1a99 s PRO 125 N 0.43 4.12 -0.79 4.34 0.04 -0.73 -1.12 135.00 141.29 1a99 s PRO 125 Ca 0.22 2.61 0.00 0.00 0.04 0.00 0.00 61.00 63.87 1a99 s PRO 125 Cb -0.16 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1a99 s PRO 125 CO -0.05 -0.74 0.00 -0.25 0.04 0.00 0.00 177.00 175.99 1a99 n ASP 126 N 3.75 -4.70 -4.22 6.66 9.92 -1.26 -3.47 116.55 123.23 1a99 n ASP 126 Ca 0.15 0.18 -0.30 0.00 -0.53 0.00 0.00 54.79 54.29 1a99 n ASP 126 Cb 0.35 -2.86 -0.07 0.00 -0.64 0.00 0.00 41.12 37.90 1a99 n ASP 126 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1a99 n ASN 127 N -0.33 0.11 0.18 -2.24 3.02 -0.27 -4.86 115.26 110.86 1a99 n ASN 127 Ca -0.07 -1.18 0.07 0.00 -0.03 0.00 0.00 54.58 53.37 1a99 n ASN 127 Cb 0.38 -2.12 0.09 0.00 -0.61 0.00 0.00 39.78 37.52 1a99 n ASN 127 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1a99 h LYS 128 N -1.72 0.00 0.00 3.52 3.64 -1.75 -3.40 116.57 116.87 1a99 h LYS 128 Ca -0.64 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.73 1a99 h LYS 128 Cb 1.39 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1a99 h LYS 128 CO 0.70 0.25 -1.10 1.19 -2.27 0.00 0.00 179.45 178.22 1a99 n PHE 129 N -3.16 0.00 -4.16 1.91 3.72 -1.26 -0.91 117.46 113.60 1a99 n PHE 129 Ca 0.03 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.25 1a99 n PHE 129 Cb 0.63 -0.05 -0.12 0.00 -0.94 0.00 0.00 39.48 39.00 1a99 n PHE 129 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a99 s ALA 130 N -2.13 1.11 -0.29 4.37 0.00 -1.26 -4.35 121.76 119.20 1a99 s ALA 130 Ca -0.01 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 1a99 s ALA 130 Cb 0.01 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1a99 s ALA 130 CO 0.09 0.14 0.03 1.41 0.00 0.00 0.00 175.76 177.42 1a99 s MET 131 N -1.79 2.85 0.27 0.00 1.75 -0.49 -4.92 119.30 116.97 1a99 s MET 131 Ca -0.02 -1.00 -0.30 0.00 -1.25 0.00 0.00 55.69 53.12 1a99 s MET 131 Cb -0.10 -3.24 -0.14 0.00 2.84 0.00 0.00 34.83 34.19 1a99 s MET 131 CO 0.02 -0.49 1.26 -2.30 -0.65 0.00 0.00 175.02 172.86 1a99 n PRO 132 N 4.77 1.79 0.00 4.11 -0.02 -1.26 -1.27 135.00 143.11 1a99 n PRO 132 Ca -0.15 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1a99 n PRO 132 Cb 0.47 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1a99 n PRO 132 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1a99 n TYR 133 N 1.11 0.00 -4.43 6.00 9.36 -0.40 -4.69 117.16 124.11 1a99 n TYR 133 Ca 0.10 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 61.11 1a99 n TYR 133 Cb 0.32 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.93 1a99 n TYR 133 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 1a99 s MET 134 N -0.58 1.67 -0.05 2.98 -1.94 -1.18 -2.24 119.30 117.97 1a99 s MET 134 Ca 0.00 -1.96 -0.30 0.00 -1.71 0.00 0.00 55.69 51.73 1a99 s MET 134 Cb 0.00 -0.59 0.08 0.00 2.01 0.00 0.00 34.83 36.33 1a99 s MET 134 CO 0.00 -0.32 0.75 1.67 -0.01 0.00 0.00 175.02 177.11 1a99 s TRP 135 N -3.40 -0.57 0.00 -0.03 1.48 -0.81 -1.87 118.94 113.74 1a99 s TRP 135 Ca 0.33 0.89 0.00 0.00 -1.06 0.00 0.00 56.10 56.26 1a99 s TRP 135 Cb 0.06 0.44 0.00 0.00 -1.16 0.00 0.00 33.47 32.82 1a99 s TRP 135 CO 0.15 -0.58 0.00 0.00 -4.06 0.00 0.00 176.95 172.46 1a99 n ALA 136 N 0.66 0.00 -2.41 2.67 0.00 -1.11 -3.56 120.51 116.76 1a99 n ALA 136 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 1a99 n ALA 136 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 1a99 n ALA 136 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1a99 s THR 137 N -2.80 1.52 -0.30 0.00 -4.23 -1.26 -1.83 115.64 106.75 1a99 s THR 137 Ca 0.00 -2.11 -0.08 0.00 -1.18 0.00 0.00 61.69 58.33 1a99 s THR 137 Cb 0.00 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1a99 s THR 137 CO 0.00 -0.31 0.10 -0.89 -0.54 0.00 0.00 174.62 172.98 1a99 s THR 138 N -3.09 4.16 0.00 3.99 2.01 -0.27 -1.55 115.64 120.89 1a99 s THR 138 Ca 0.29 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.71 1a99 s THR 138 Cb 0.04 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.43 1a99 s THR 138 CO 0.11 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 1a99 n GLY 139 N 4.90 5.07 3.52 4.40 0.00 0.21 -4.07 105.19 119.22 1a99 n GLY 139 Ca -0.14 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 1a99 n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a99 s ILE 140 N 0.59 4.49 -0.17 -0.61 1.01 -0.72 -0.72 121.20 125.07 1a99 s ILE 140 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 1a99 s ILE 140 Cb 0.00 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 1a99 s ILE 140 CO 0.00 0.38 0.02 -0.83 0.00 0.00 0.00 174.94 174.51 1a99 s GLY 141 N 1.14 1.83 -0.00 6.18 0.00 -0.10 -0.55 107.32 115.81 1a99 s GLY 141 Ca 0.04 -0.78 -0.14 0.00 0.00 0.00 0.00 44.72 43.84 1a99 s GLY 141 CO 0.03 0.01 0.28 -2.52 0.00 0.00 0.00 173.10 170.91 1a99 s TYR 142 N 0.38 -0.13 -0.50 1.90 1.13 -0.22 -1.05 117.35 118.86 1a99 s TYR 142 Ca 0.00 0.16 -0.27 0.00 -1.41 0.00 0.00 57.07 55.54 1a99 s TYR 142 Cb -0.13 0.07 0.03 0.00 -1.10 0.00 0.00 41.96 40.83 1a99 s TYR 142 CO 0.01 -0.39 1.07 1.21 -2.51 0.00 0.00 175.55 174.94 1a99 s ASN 143 N -1.46 6.53 0.18 -0.18 3.84 -0.04 -1.15 114.94 122.66 1a99 s ASN 143 Ca -0.12 0.22 -0.14 0.00 0.21 0.00 0.00 52.86 53.03 1a99 s ASN 143 Cb -0.05 -2.51 0.15 0.00 -0.55 0.00 0.00 41.25 38.29 1a99 s ASN 143 CO 0.03 -1.23 1.71 0.58 -2.79 0.00 0.00 177.10 175.39 1a99 h VAL 144 N 6.16 0.71 -0.11 -5.21 2.07 -1.04 -1.92 116.25 116.91 1a99 h VAL 144 Ca -0.24 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1a99 h VAL 144 Cb 1.07 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1a99 h VAL 144 CO 1.10 0.03 0.04 0.44 0.02 0.00 0.00 177.57 179.20 1a99 h ASP 145 N 0.17 0.15 -0.64 0.57 3.32 -1.92 -2.59 116.42 115.48 1a99 h ASP 145 Ca 0.22 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1a99 h ASP 145 Cb 0.30 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1a99 h ASP 145 CO -0.33 0.30 0.19 0.11 -1.72 0.00 0.00 179.24 177.79 1a99 h LYS 146 N -0.00 1.01 -0.74 3.56 1.57 -1.91 -1.40 116.57 118.66 1a99 h LYS 146 Ca 0.04 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1a99 h LYS 146 Cb 0.20 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1a99 h LYS 146 CO -0.00 0.89 0.34 0.28 -0.57 0.00 0.00 179.45 180.38 1a99 h VAL 147 N 0.93 1.24 0.00 0.50 2.07 -1.36 -1.31 116.25 118.33 1a99 h VAL 147 Ca 0.21 -0.71 -0.10 0.00 0.82 0.00 0.00 66.70 66.92 1a99 h VAL 147 Cb 0.31 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1a99 h VAL 147 CO -0.00 0.29 -0.47 0.11 0.02 0.00 0.00 177.57 177.52 1a99 h LYS 148 N 1.04 0.00 -0.00 1.57 1.57 -1.32 0.12 116.57 119.55 1a99 h LYS 148 Ca 0.25 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.87 1a99 h LYS 148 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1a99 h LYS 148 CO -0.03 0.47 -0.77 0.00 -0.57 0.00 0.00 179.45 178.56 1a99 h ALA 149 N 1.53 0.72 0.04 3.86 0.00 -0.80 -0.48 119.26 124.14 1a99 h ALA 149 Ca -0.00 -0.69 -0.34 0.00 0.00 0.00 0.00 54.91 53.87 1a99 h ALA 149 Cb 1.10 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1a99 h ALA 149 CO 0.06 0.94 -1.92 0.28 0.00 0.00 0.00 179.25 178.61 1a99 n VAL 150 N -3.65 1.61 0.69 0.00 0.31 -0.53 -4.45 118.33 112.31 1a99 n VAL 150 Ca -0.01 -0.39 0.12 0.00 -0.01 0.00 0.00 64.34 64.05 1a99 n VAL 150 Cb 0.74 -1.81 0.17 0.00 -0.91 0.00 0.00 33.84 32.03 1a99 n VAL 150 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1a99 n LEU 151 N -3.90 3.16 0.00 7.52 4.77 0.42 -5.01 117.00 123.96 1a99 n LEU 151 Ca -0.38 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.39 1a99 n LEU 151 Cb 0.89 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1a99 n LEU 151 CO 0.26 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1a99 n GLY 152 N 1.42 -0.87 0.42 -0.72 0.00 -0.19 -4.10 105.19 101.15 1a99 n GLY 152 Ca 0.17 -1.67 0.23 0.00 0.00 0.00 0.00 46.02 44.75 1a99 n GLY 152 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a99 h GLU 153 N 0.00 0.22 -0.71 1.61 4.39 -1.92 -2.53 114.58 115.65 1a99 h GLU 153 Ca 0.00 -0.01 -0.28 0.00 0.34 0.00 0.00 59.36 59.41 1a99 h GLU 153 Cb 0.00 -0.05 -0.17 0.00 -0.10 0.00 0.00 28.75 28.43 1a99 h GLU 153 CO 0.00 0.15 0.30 0.09 -1.16 0.00 0.00 179.01 178.39 1a99 n ASN 154 N -4.42 4.03 -4.55 1.42 4.13 -1.26 -5.02 115.26 109.60 1a99 n ASN 154 Ca 0.18 -3.42 -0.49 0.00 1.68 0.00 0.00 54.58 52.54 1a99 n ASN 154 Cb 0.79 -0.74 -0.04 0.00 -1.54 0.00 0.00 39.78 38.25 1a99 n ASN 154 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a99 n ALA 155 N -0.64 -1.22 -0.82 5.41 0.00 -0.95 -4.73 120.51 117.55 1a99 n ALA 155 Ca 0.43 0.46 -0.21 0.00 0.00 0.00 0.00 53.44 54.12 1a99 n ALA 155 Cb 1.37 -1.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 1a99 n ALA 155 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1a99 n PRO 156 N 1.42 2.17 0.30 0.00 -0.04 -1.26 -4.67 135.00 132.93 1a99 n PRO 156 Ca 0.15 -1.39 0.18 0.00 -0.04 0.00 0.00 63.50 62.40 1a99 n PRO 156 Cb 0.25 -2.36 0.97 0.00 -0.04 0.00 0.00 33.50 32.32 1a99 n PRO 156 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1a99 h VAL 157 N 3.09 0.00 -0.66 0.52 2.07 -1.99 -1.96 116.25 117.33 1a99 h VAL 157 Ca 0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.99 1a99 h VAL 157 Cb 0.39 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1a99 h VAL 157 CO 1.23 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 177.92 1a99 n ASP 158 N -2.82 3.80 -4.09 0.57 5.75 -1.26 -4.83 116.55 113.67 1a99 n ASP 158 Ca -0.02 -2.10 -0.09 0.00 -0.01 0.00 0.00 54.79 52.56 1a99 n ASP 158 Cb 0.14 -0.48 -0.10 0.00 -1.03 0.00 0.00 41.12 39.65 1a99 n ASP 158 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1a99 s SER 159 N -0.96 0.67 0.00 -1.12 0.15 -0.74 -0.79 113.70 110.91 1a99 s SER 159 Ca 0.45 -0.86 0.14 0.00 0.70 0.00 0.00 55.95 56.38 1a99 s SER 159 Cb 0.25 0.13 0.62 0.00 -1.71 0.00 0.00 66.02 65.31 1a99 s SER 159 CO 0.29 -0.47 1.41 0.79 1.20 0.00 0.00 173.24 176.46 1a99 n TRP 160 N 0.48 0.00 0.25 3.44 7.02 -1.26 -2.33 117.44 125.03 1a99 n TRP 160 Ca -0.16 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.39 1a99 n TRP 160 Cb 0.59 -0.43 0.61 0.00 -2.42 0.00 0.00 31.31 29.66 1a99 n TRP 160 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1a99 h ASP 161 N 0.00 0.01 -0.66 -0.99 3.32 -1.93 0.39 116.42 116.56 1a99 h ASP 161 Ca 0.00 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1a99 h ASP 161 Cb 0.20 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 1a99 h ASP 161 CO 0.00 0.05 0.44 0.25 -1.72 0.00 0.00 179.24 178.25 1a99 h LEU 162 N 0.01 0.65 0.00 1.55 5.85 -1.60 -2.87 115.31 118.90 1a99 h LEU 162 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1a99 h LEU 162 Cb 0.07 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1a99 h LEU 162 CO 0.00 0.45 -0.10 0.00 -0.34 0.00 0.00 178.44 178.45 1a99 n ILE 163 N -4.46 0.00 0.51 4.05 3.06 -0.91 -4.29 119.36 117.32 1a99 n ILE 163 Ca 0.08 -0.41 0.07 0.00 -2.50 0.00 0.00 62.75 60.00 1a99 n ILE 163 Cb 0.15 0.94 0.06 0.00 0.54 0.00 0.00 39.64 41.34 1a99 n ILE 163 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1a99 n LEU 164 N -0.96 2.19 -4.51 9.51 4.77 0.13 -4.77 117.00 123.36 1a99 n LEU 164 Ca 0.00 -1.07 -0.40 0.00 -0.03 0.00 0.00 56.01 54.51 1a99 n LEU 164 Cb 0.00 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 40.96 1a99 n LEU 164 CO 0.00 0.42 -0.14 -0.54 -1.33 0.00 0.00 177.39 175.80 1a99 s LYS 165 N -1.12 3.47 0.31 3.23 1.02 -1.08 -4.96 119.74 120.62 1a99 s LYS 165 Ca 0.17 -0.65 0.08 0.00 0.02 0.00 0.00 55.97 55.58 1a99 s LYS 165 Cb 0.11 -3.76 0.86 0.00 -0.52 0.00 0.00 37.83 34.53 1a99 s LYS 165 CO 0.17 -0.43 1.68 -1.00 -0.92 0.00 0.00 175.35 174.84 1a99 h PRO 166 N 8.46 0.34 -0.45 -1.68 0.13 -1.89 -0.45 132.00 136.46 1a99 h PRO 166 Ca -0.32 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1a99 h PRO 166 Cb 1.16 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1a99 h PRO 166 CO 0.63 0.23 0.29 1.05 -0.23 0.00 0.00 178.00 179.96 1a99 h GLU 167 N 0.35 0.59 0.02 0.86 9.09 -1.95 -1.11 114.58 122.43 1a99 h GLU 167 Ca 0.63 -0.04 -0.03 0.00 0.05 0.00 0.00 59.36 59.97 1a99 h GLU 167 Cb 1.30 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1a99 h GLU 167 CO -0.58 0.40 -0.14 -0.91 0.05 0.00 0.00 179.01 177.83 1a99 h ASN 168 N 0.61 0.09 -0.19 3.06 2.35 -1.40 -3.27 115.58 116.81 1a99 h ASN 168 Ca 0.16 -0.97 0.06 0.00 -0.55 0.00 0.00 56.30 55.00 1a99 h ASN 168 Cb -0.06 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1a99 h ASN 168 CO -0.03 1.04 0.17 0.25 -1.65 0.00 0.00 177.43 177.21 1a99 h LEU 169 N -0.86 0.00 -0.48 1.61 5.85 -1.21 -0.10 115.31 120.12 1a99 h LEU 169 Ca -0.02 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1a99 h LEU 169 Cb 1.09 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1a99 h LEU 169 CO 0.03 0.00 0.02 -0.33 -0.34 0.00 0.00 178.44 177.82 1a99 h GLU 170 N 0.00 0.84 -0.23 1.25 5.08 -1.28 -0.26 114.58 119.99 1a99 h GLU 170 Ca 0.09 -0.26 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 1a99 h GLU 170 Cb 0.43 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1a99 h GLU 170 CO -0.00 0.87 -0.48 0.87 -1.00 0.00 0.00 179.01 179.28 1a99 h LYS 171 N 0.70 0.60 0.00 2.33 1.57 -1.11 -3.11 116.57 117.55 1a99 h LYS 171 Ca 0.14 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1a99 h LYS 171 Cb 0.48 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1a99 h LYS 171 CO 0.02 0.95 0.00 -0.07 -0.57 0.00 0.00 179.45 179.78 1a99 h LEU 172 N 0.48 0.00 -1.41 2.94 3.38 -1.09 -3.31 115.31 116.31 1a99 h LEU 172 Ca 0.03 0.00 0.33 0.00 0.09 0.00 0.00 57.88 58.32 1a99 h LEU 172 Cb 1.01 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.66 1a99 h LEU 172 CO 0.09 0.00 0.74 0.50 0.09 0.00 0.00 178.44 179.86 1a99 h LYS 173 N 0.00 0.26 0.10 1.13 3.64 -0.97 -1.89 116.57 118.85 1a99 h LYS 173 Ca 0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1a99 h LYS 173 Cb 0.89 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1a99 h LYS 173 CO 0.00 0.17 -0.15 0.66 -2.27 0.00 0.00 179.45 177.87 1a99 h SER 174 N 0.27 -0.41 0.02 4.20 4.64 -1.78 -2.93 113.55 117.56 1a99 h SER 174 Ca 0.67 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 1a99 h SER 174 Cb 1.89 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 1a99 h SER 174 CO -0.32 -0.22 -0.00 0.00 -0.87 0.00 0.00 176.83 175.41 1a99 n GLY 176 N 1.06 1.75 3.20 0.00 0.00 -1.11 -1.98 105.19 108.11 1a99 n GLY 176 Ca 0.22 -1.26 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 1a99 n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a99 s VAL 177 N 0.00 1.55 0.03 1.61 1.01 -1.26 -0.95 120.40 122.40 1a99 s VAL 177 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1a99 s VAL 177 Cb 0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1a99 s VAL 177 CO 0.00 0.44 -0.12 -0.55 0.00 0.00 0.00 175.10 174.87 1a99 s SER 178 N -0.40 1.41 0.04 3.32 0.15 -0.89 -1.40 113.70 115.92 1a99 s SER 178 Ca 0.06 -0.43 0.05 0.00 0.70 0.00 0.00 55.95 56.34 1a99 s SER 178 Cb -0.08 -0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.13 1a99 s SER 178 CO -0.00 0.00 -0.16 -0.36 1.20 0.00 0.00 173.24 173.92 1a99 s PHE 179 N -0.84 1.38 0.36 3.44 0.40 -0.79 -1.78 117.98 120.14 1a99 s PHE 179 Ca -0.00 -0.35 -0.28 0.00 -0.60 0.00 0.00 56.93 55.70 1a99 s PHE 179 Cb -0.07 -0.83 -0.10 0.00 0.51 0.00 0.00 43.02 42.53 1a99 s PHE 179 CO 0.01 0.04 1.28 -0.51 0.70 0.00 0.00 175.22 176.74 1a99 s LEU 180 N -1.07 4.35 -1.27 -0.37 1.43 -1.23 -0.98 118.68 119.53 1a99 s LEU 180 Ca 0.03 2.62 -0.07 0.00 -1.03 0.00 0.00 54.13 55.68 1a99 s LEU 180 Cb -0.08 -3.76 -0.01 0.00 0.03 0.00 0.00 46.19 42.38 1a99 s LEU 180 CO 0.01 -0.62 2.77 -0.67 0.23 0.00 0.00 176.35 178.07 1a99 n ASP 181 N 0.55 8.00 -3.74 2.29 -0.08 -1.25 -4.71 116.55 117.61 1a99 n ASP 181 Ca 0.01 -2.85 -0.30 0.00 -1.51 0.00 0.00 54.79 50.14 1a99 n ASP 181 Cb 0.43 -1.44 -0.14 0.00 2.34 0.00 0.00 41.12 42.31 1a99 n ASP 181 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1a99 s ALA 182 N 0.36 2.07 0.07 -1.67 0.00 -1.26 -4.87 121.76 116.46 1a99 s ALA 182 Ca 0.62 -2.39 -0.20 0.00 0.00 0.00 0.00 51.96 49.99 1a99 s ALA 182 Cb 0.21 -1.84 -0.08 0.00 0.00 0.00 0.00 23.12 21.41 1a99 s ALA 182 CO -0.08 -1.96 1.32 -1.35 0.00 0.00 0.00 175.76 173.69 1a99 h PRO 183 N 7.08 -0.35 -0.97 0.00 0.11 -1.99 0.80 132.00 136.68 1a99 h PRO 183 Ca -0.04 0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.26 1a99 h PRO 183 Cb 0.95 0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.05 1a99 h PRO 183 CO 0.48 -0.24 0.61 0.93 -0.21 0.00 0.00 178.00 179.58 1a99 h GLU 184 N -0.37 0.75 -0.01 1.05 5.08 -1.96 0.24 114.58 119.36 1a99 h GLU 184 Ca 0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1a99 h GLU 184 Cb 0.41 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1a99 h GLU 184 CO -0.23 0.49 -0.05 0.93 -1.00 0.00 0.00 179.01 179.16 1a99 h GLU 185 N 0.77 0.05 -0.50 2.33 5.08 -1.91 -2.40 114.58 117.99 1a99 h GLU 185 Ca 0.52 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.73 1a99 h GLU 185 Cb 0.79 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1a99 h GLU 185 CO -0.29 0.69 -0.10 0.28 -1.00 0.00 0.00 179.01 178.60 1a99 h VAL 186 N -0.58 1.26 -0.46 3.13 2.07 -0.53 -2.05 116.25 119.10 1a99 h VAL 186 Ca -0.00 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 1a99 h VAL 186 Cb 0.70 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1a99 h VAL 186 CO 0.01 0.43 0.17 -0.26 0.02 0.00 0.00 177.57 177.94 1a99 h PHE 187 N 0.83 0.72 -0.72 1.57 0.04 -1.04 -1.28 116.94 117.07 1a99 h PHE 187 Ca 0.14 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 1a99 h PHE 187 Cb 0.63 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 1a99 h PHE 187 CO 0.04 0.62 0.37 0.00 -0.60 0.00 0.00 178.31 178.74 1a99 h ALA 188 N 1.02 1.30 -0.10 2.45 0.00 -1.28 0.35 119.26 123.00 1a99 h ALA 188 Ca 0.15 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1a99 h ALA 188 Cb 0.22 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1a99 h ALA 188 CO -0.01 0.56 -0.72 1.79 0.00 0.00 0.00 179.25 180.87 1a99 h THR 189 N 1.01 1.36 -0.39 0.00 1.35 -1.10 -1.84 112.91 113.29 1a99 h THR 189 Ca 0.25 -2.09 -0.09 0.00 -0.55 0.00 0.00 66.41 63.93 1a99 h THR 189 Cb 0.06 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 1a99 h THR 189 CO -0.04 0.63 -0.11 0.58 -0.25 0.00 0.00 175.52 176.34 1a99 h VAL 190 N 0.32 1.28 -0.43 6.82 2.07 -0.88 -0.56 116.25 124.87 1a99 h VAL 190 Ca -0.03 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.30 1a99 h VAL 190 Cb 1.30 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1a99 h VAL 190 CO 0.13 0.40 0.26 -0.07 0.02 0.00 0.00 177.57 178.31 1a99 h LEU 191 N 0.57 0.43 -0.46 2.57 3.38 -0.90 -0.71 115.31 120.19 1a99 h LEU 191 Ca 0.10 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1a99 h LEU 191 Cb 0.64 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1a99 h LEU 191 CO 0.04 0.31 0.29 -1.13 0.09 0.00 0.00 178.44 178.04 1a99 h ASN 192 N 0.53 0.49 -0.00 -0.43 -0.73 -1.15 -0.40 115.58 113.88 1a99 h ASN 192 Ca 0.17 -0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.32 1a99 h ASN 192 Cb -0.01 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 38.46 1a99 h ASN 192 CO -0.07 0.35 -0.02 0.22 -0.37 0.00 0.00 177.43 177.54 1a99 h TYR 193 N 0.59 0.08 -0.10 0.67 3.20 -0.49 -1.33 116.97 119.60 1a99 h TYR 193 Ca 0.18 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1a99 h TYR 193 Cb -0.03 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1a99 h TYR 193 CO -0.06 0.11 0.00 1.28 -1.64 0.00 0.00 178.16 177.86 1a99 n LEU 194 N -4.46 0.97 0.00 2.82 4.77 -0.33 -4.89 117.00 115.89 1a99 n LEU 194 Ca -0.02 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1a99 n LEU 194 Cb 0.14 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1a99 n LEU 194 CO 0.35 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1a99 n GLY 195 N 0.98 0.67 4.01 -0.72 0.00 -0.50 -5.05 105.19 104.58 1a99 n GLY 195 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1a99 n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a99 s LYS 196 N -0.28 2.43 0.03 1.61 -0.14 -0.21 -5.01 119.74 118.17 1a99 s LYS 196 Ca 0.00 -1.27 -0.30 0.00 -1.36 0.00 0.00 55.97 53.03 1a99 s LYS 196 Cb 0.00 -2.61 -0.06 0.00 -1.68 0.00 0.00 37.83 33.48 1a99 s LYS 196 CO 0.00 -0.73 1.40 0.34 -0.76 0.00 0.00 175.35 175.60 1a99 s ASP 197 N -4.53 6.85 0.55 2.83 -1.08 -1.26 -3.93 116.67 116.11 1a99 s ASP 197 Ca 0.59 2.17 0.28 0.00 -0.52 0.00 0.00 52.55 55.07 1a99 s ASP 197 Cb -0.08 -2.57 1.62 0.00 -1.46 0.00 0.00 42.92 40.44 1a99 s ASP 197 CO 0.38 -0.70 2.17 -0.65 0.52 0.00 0.00 175.17 176.89 1a99 h PRO 198 N 7.56 0.00 -1.15 4.34 0.11 -1.85 -1.94 132.00 139.07 1a99 h PRO 198 Ca -0.39 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.09 1a99 h PRO 198 Cb 1.19 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.93 1a99 h PRO 198 CO 0.89 0.06 -0.06 0.09 -0.21 0.00 0.00 178.00 178.77 1a99 n ASN 199 N -3.82 6.04 -4.65 -2.05 3.02 -1.26 -4.41 115.26 108.13 1a99 n ASN 199 Ca -0.03 -3.77 -0.47 0.00 -0.03 0.00 0.00 54.58 50.29 1a99 n ASN 199 Cb 0.15 -0.65 -0.04 0.00 -0.61 0.00 0.00 39.78 38.63 1a99 n ASN 199 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1a99 n SER 200 N -0.70 2.81 -0.34 6.41 2.88 -0.73 -4.90 113.62 119.05 1a99 n SER 200 Ca 0.50 1.09 0.12 0.00 -1.33 0.00 0.00 58.87 59.25 1a99 n SER 200 Cb 0.72 -1.38 0.26 0.00 -0.75 0.00 0.00 64.21 63.05 1a99 n SER 200 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1a99 n THR 201 N 3.19 0.00 -2.93 2.46 -2.24 -1.26 -4.82 114.28 108.68 1a99 n THR 201 Ca 0.17 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1a99 n THR 201 Cb 0.27 0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 69.13 1a99 n THR 201 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1a99 s LYS 202 N -2.47 3.50 0.60 -0.78 1.02 -1.26 -4.93 119.74 115.42 1a99 s LYS 202 Ca 0.23 0.03 0.29 0.00 0.02 0.00 0.00 55.97 56.55 1a99 s LYS 202 Cb 0.19 -3.91 1.63 0.00 -0.52 0.00 0.00 37.83 35.22 1a99 s LYS 202 CO 0.53 -1.08 2.04 0.00 -0.92 0.00 0.00 175.35 175.91 1a99 h ALA 203 N 8.90 1.83 0.00 5.17 0.00 -1.99 -1.48 119.26 131.70 1a99 h ALA 203 Ca -0.25 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1a99 h ALA 203 Cb 1.09 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1a99 h ALA 203 CO 0.96 -0.40 -0.22 -0.44 0.00 0.00 0.00 179.25 179.15 1a99 h ASP 204 N 0.00 0.00 -0.46 0.00 5.19 -1.98 -2.63 116.42 116.54 1a99 h ASP 204 Ca 0.11 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.43 1a99 h ASP 204 Cb 0.68 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 1a99 h ASP 204 CO -0.00 0.22 -0.05 0.44 -3.12 0.00 0.00 179.24 176.72 1a99 h ASP 205 N 0.00 0.89 0.23 6.45 3.32 -1.66 0.70 116.42 126.36 1a99 h ASP 205 Ca -0.00 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 1a99 h ASP 205 Cb 0.64 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1a99 h ASP 205 CO 0.03 0.99 -0.11 1.88 -1.72 0.00 0.00 179.24 180.30 1a99 h TYR 206 N 0.83 -0.29 0.00 4.55 -1.99 -1.60 -1.74 116.97 116.73 1a99 h TYR 206 Ca 0.14 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.78 1a99 h TYR 206 Cb 0.57 0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.38 1a99 h TYR 206 CO 0.03 0.05 -0.42 1.79 -0.00 0.00 0.00 178.16 179.61 1a99 h THR 207 N -0.97 1.01 0.00 -2.88 1.35 -1.57 -0.94 112.91 108.92 1a99 h THR 207 Ca -0.03 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1a99 h THR 207 Cb 0.46 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1a99 h THR 207 CO 0.05 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 1a99 n GLY 208 N 0.15 1.31 0.21 5.82 0.00 0.24 -4.40 105.19 108.53 1a99 n GLY 208 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 1a99 n GLY 208 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a99 h PRO 209 N 0.00 0.10 0.14 1.61 0.13 -1.69 -2.03 132.00 130.26 1a99 h PRO 209 Ca 0.00 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.14 1a99 h PRO 209 Cb 0.00 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.07 1a99 h PRO 209 CO 0.00 0.06 -0.38 0.00 -0.23 0.00 0.00 178.00 177.45 1a99 h ALA 210 N 1.50 -0.69 0.00 -0.56 0.00 -1.44 -1.52 119.26 116.55 1a99 h ALA 210 Ca 0.28 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1a99 h ALA 210 Cb 0.43 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1a99 h ALA 210 CO -0.47 -0.95 -0.14 1.15 0.00 0.00 0.00 179.25 178.84 1a99 h THR 211 N -0.63 0.75 0.37 0.00 2.02 -1.00 -2.24 112.91 112.18 1a99 h THR 211 Ca 0.02 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 1a99 h THR 211 Cb 0.65 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1a99 h THR 211 CO -0.21 0.13 -0.18 0.44 0.37 0.00 0.00 175.52 176.07 1a99 h ASP 212 N 0.00 -0.42 -0.17 4.18 3.32 -0.57 -0.56 116.42 122.19 1a99 h ASP 212 Ca -0.00 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1a99 h ASP 212 Cb 0.32 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1a99 h ASP 212 CO 0.02 -0.17 0.02 0.25 -1.72 0.00 0.00 179.24 177.64 1a99 h LEU 213 N -0.68 -0.02 -0.70 1.55 6.46 -1.09 -1.06 115.31 119.77 1a99 h LEU 213 Ca -0.05 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.78 1a99 h LEU 213 Cb 0.48 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.41 1a99 h LEU 213 CO 0.08 0.02 0.42 -0.07 -0.62 0.00 0.00 178.44 178.27 1a99 h LEU 214 N 0.08 0.68 -1.40 2.25 3.38 -1.37 0.36 115.31 119.30 1a99 h LEU 214 Ca 0.08 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1a99 h LEU 214 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1a99 h LEU 214 CO -0.11 0.46 -0.30 -0.07 0.09 0.00 0.00 178.44 178.51 1a99 h LEU 215 N 0.82 0.00 -0.23 1.67 3.38 -0.81 0.48 115.31 120.62 1a99 h LEU 215 Ca 0.29 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.15 1a99 h LEU 215 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1a99 h LEU 215 CO -0.13 0.30 -0.27 0.50 0.09 0.00 0.00 178.44 178.93 1a99 h LYS 216 N 0.00 0.59 0.02 1.13 3.64 0.15 -3.25 116.57 118.86 1a99 h LYS 216 Ca -0.00 -0.32 -0.24 0.00 -1.27 0.00 0.00 60.65 58.81 1a99 h LYS 216 Cb 0.57 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1a99 h LYS 216 CO 0.04 0.92 -1.01 -0.07 -2.27 0.00 0.00 179.45 177.06 1a99 h LEU 217 N 0.29 0.61 -0.52 5.20 3.38 -0.64 -3.38 115.31 120.24 1a99 h LEU 217 Ca 0.03 -0.51 0.18 0.00 0.09 0.00 0.00 57.88 57.67 1a99 h LEU 217 Cb 0.83 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.30 1a99 h LEU 217 CO 0.06 1.32 0.12 -1.14 0.09 0.00 0.00 178.44 178.90 1a99 n ARG 218 N -3.75 -0.04 0.24 1.13 0.00 0.17 -0.03 116.66 114.39 1a99 n ARG 218 Ca -0.08 0.76 0.17 0.00 -0.00 0.00 0.00 57.85 58.69 1a99 n ARG 218 Cb 0.87 -1.27 0.77 0.00 0.00 0.00 0.00 32.46 32.83 1a99 n ARG 218 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1a99 h PRO 219 N 0.00 0.00 -0.02 -0.14 0.13 -1.75 -2.84 132.00 127.38 1a99 h PRO 219 Ca 0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.50 1a99 h PRO 219 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1a99 h PRO 219 CO -0.46 0.00 -0.21 0.09 -0.23 0.00 0.00 178.00 177.19 1a99 n ASN 220 N -2.76 1.89 -4.58 1.44 3.02 0.96 -4.88 115.26 110.35 1a99 n ASN 220 Ca -0.00 -1.47 -0.41 0.00 -0.03 0.00 0.00 54.58 52.67 1a99 n ASN 220 Cb 0.18 0.18 -0.07 0.00 -0.61 0.00 0.00 39.78 39.46 1a99 n ASN 220 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a99 s ILE 221 N -2.28 5.00 0.23 2.41 1.01 -1.08 -4.44 121.20 122.05 1a99 s ILE 221 Ca 0.26 0.58 -0.05 0.00 0.00 0.00 0.00 60.65 61.44 1a99 s ILE 221 Cb 0.19 -3.95 0.10 0.00 0.01 0.00 0.00 42.46 38.82 1a99 s ILE 221 CO 0.45 -0.15 1.73 -0.09 0.00 0.00 0.00 174.94 176.87 1a99 h ARG 222 N 8.32 0.93 -2.39 2.79 2.43 -1.56 -3.47 114.38 121.43 1a99 h ARG 222 Ca -0.28 -0.25 0.12 0.00 -0.81 0.00 0.00 59.98 58.76 1a99 h ARG 222 Cb 1.13 -0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 30.45 1a99 h ARG 222 CO 0.77 0.90 0.46 1.52 -1.51 0.00 0.00 179.97 182.11 1a99 s TYR 223 N -5.07 -0.27 -0.33 2.20 -0.85 -1.22 -5.06 117.35 106.75 1a99 s TYR 223 Ca -0.11 0.05 -0.00 0.00 -0.52 0.00 0.00 57.07 56.49 1a99 s TYR 223 Cb 0.14 0.59 0.08 0.00 0.38 0.00 0.00 41.96 43.15 1a99 s TYR 223 CO 0.83 -0.71 0.05 -0.06 -1.52 0.00 0.00 175.55 174.15 1a99 s PHE 224 N -3.27 3.46 -0.06 -3.49 0.40 -1.26 -1.89 117.98 111.87 1a99 s PHE 224 Ca 0.08 -2.32 -0.13 0.00 -0.60 0.00 0.00 56.93 53.95 1a99 s PHE 224 Cb -0.01 -2.58 0.03 0.00 0.51 0.00 0.00 43.02 40.97 1a99 s PHE 224 CO -0.04 -0.89 0.31 -1.58 0.70 0.00 0.00 175.22 173.72 1a99 s HIS 225 N 1.13 -0.25 -0.26 0.36 2.46 -0.16 -4.60 115.29 113.98 1a99 s HIS 225 Ca 0.02 0.52 0.13 0.00 0.47 0.00 0.00 55.06 56.20 1a99 s HIS 225 Cb -0.20 0.10 0.72 0.00 -0.13 0.00 0.00 32.58 33.07 1a99 s HIS 225 CO -0.04 -0.29 1.69 0.43 -2.47 0.00 0.00 174.74 174.05 1a99 n SER 226 N 1.98 4.88 0.00 9.88 7.64 -1.26 -3.94 113.62 132.80 1a99 n SER 226 Ca -0.18 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.60 1a99 n SER 226 Cb 0.57 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1a99 n SER 226 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1a99 n SER 227 N 0.02 0.00 0.12 6.43 3.41 -1.26 -4.93 113.62 117.41 1a99 n SER 227 Ca 0.31 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 59.07 1a99 n SER 227 Cb 1.19 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.83 1a99 n SER 227 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1a99 h GLN 228 N 0.00 0.00 0.00 4.33 -0.00 -2.00 -2.60 115.11 114.84 1a99 h GLN 228 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1a99 h GLN 228 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1a99 h GLN 228 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 178.83 178.93 1a99 h TYR 229 N 0.00 0.00 0.74 3.99 -0.00 -1.92 -3.03 116.97 116.76 1a99 h TYR 229 Ca 0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.83 1a99 h TYR 229 Cb 0.56 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.30 1a99 h TYR 229 CO 0.00 0.00 -0.36 0.82 -0.00 0.00 0.00 178.16 178.62 1a99 h ILE 230 N 0.00 0.19 0.00 -0.90 2.04 -1.80 -0.27 117.51 116.77 1a99 h ILE 230 Ca 0.00 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 1a99 h ILE 230 Cb 0.28 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1a99 h ILE 230 CO 0.00 0.01 -0.29 0.78 0.00 0.00 0.00 178.15 178.65 1a99 h ASN 231 N -1.12 0.00 0.07 1.72 2.35 -1.76 -1.67 115.58 115.17 1a99 h ASN 231 Ca -0.10 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.43 1a99 h ASN 231 Cb 0.79 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.16 1a99 h ASN 231 CO 0.17 0.29 -0.82 0.44 -1.65 0.00 0.00 177.43 175.86 1a99 h ASP 232 N 0.00 0.74 -0.27 5.81 3.32 -1.45 -1.27 116.42 123.30 1a99 h ASP 232 Ca -0.00 -0.51 -0.11 0.00 0.02 0.00 0.00 57.03 56.42 1a99 h ASP 232 Cb 0.60 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1a99 h ASP 232 CO 0.04 1.29 -0.28 -0.07 -1.72 0.00 0.00 179.24 178.51 1a99 h LEU 233 N 0.39 0.71 -1.10 1.55 3.38 -0.89 0.29 115.31 119.65 1a99 h LEU 233 Ca -0.06 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 1a99 h LEU 233 Cb 1.44 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 1a99 h LEU 233 CO 0.16 1.04 0.49 0.00 0.09 0.00 0.00 178.44 180.22 1a99 h ALA 234 N 0.69 1.33 -0.24 1.53 0.00 -1.25 -2.76 119.26 118.56 1a99 h ALA 234 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a99 h ALA 234 Cb 0.84 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1a99 h ALA 234 CO 0.07 0.58 0.00 0.09 0.00 0.00 0.00 179.25 179.99 1a99 n ASN 235 N -4.37 2.54 0.00 0.00 5.03 -0.49 -4.51 115.26 113.46 1a99 n ASN 235 Ca 0.09 -1.85 0.00 0.00 0.87 0.00 0.00 54.58 53.69 1a99 n ASN 235 Cb 0.06 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 38.68 1a99 n ASN 235 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a99 n GLY 236 N 1.31 0.47 0.14 7.41 0.00 -0.88 -4.96 105.19 108.68 1a99 n GLY 236 Ca 0.17 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 1a99 n GLY 236 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a99 h ASP 237 N 0.00 0.33 -3.77 1.61 3.32 -0.69 -3.45 116.42 113.77 1a99 h ASP 237 Ca 0.00 -0.26 -0.54 0.00 0.02 0.00 0.00 57.03 56.25 1a99 h ASP 237 Cb 0.00 -0.10 -0.19 0.00 0.22 0.00 0.00 39.33 39.26 1a99 h ASP 237 CO 0.00 1.06 -0.80 0.27 -1.72 0.00 0.00 179.24 178.05 1a99 s ILE 238 N -3.24 1.81 -0.06 0.35 -4.36 -1.06 -4.51 121.20 110.13 1a99 s ILE 238 Ca -0.04 -1.78 0.15 0.00 -0.26 0.00 0.00 60.65 58.72 1a99 s ILE 238 Cb 0.10 -1.75 -0.23 0.00 1.25 0.00 0.00 42.46 41.82 1a99 s ILE 238 CO 0.84 -0.21 0.35 0.00 0.24 0.00 0.00 174.94 176.16 1a99 s VAL 240 N -3.01 0.14 -0.15 0.00 -7.23 -0.95 -0.86 120.40 108.34 1a99 s VAL 240 Ca -0.05 -1.15 -0.30 0.00 -1.81 0.00 0.00 61.98 58.67 1a99 s VAL 240 Cb 0.10 -1.08 0.12 0.00 0.56 0.00 0.00 36.38 36.07 1a99 s VAL 240 CO 0.63 -0.63 0.94 0.00 -0.31 0.00 0.00 175.10 175.73 1a99 s ALA 241 N -3.06 -1.91 -0.18 1.32 0.00 -0.22 -2.11 121.76 115.60 1a99 s ALA 241 Ca -0.01 1.56 -0.18 0.00 0.00 0.00 0.00 51.96 53.33 1a99 s ALA 241 Cb 0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1a99 s ALA 241 CO -0.07 -0.32 0.47 0.42 0.00 0.00 0.00 175.76 176.27 1a99 s ILE 242 N -1.06 5.15 0.31 0.00 1.01 -0.73 -0.93 121.20 124.96 1a99 s ILE 242 Ca -0.03 0.88 -0.09 0.00 0.00 0.00 0.00 60.65 61.40 1a99 s ILE 242 Cb -0.01 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.67 1a99 s ILE 242 CO 0.03 0.23 0.53 -0.83 0.00 0.00 0.00 174.94 174.90 1a99 s GLY 243 N 1.00 0.89 -0.08 6.18 0.00 0.10 -3.57 107.32 111.85 1a99 s GLY 243 Ca 0.23 -1.11 -0.22 0.00 0.00 0.00 0.00 44.72 43.62 1a99 s GLY 243 CO 0.09 -0.72 0.64 -0.98 0.00 0.00 0.00 173.10 172.13 1a99 s TRP 244 N -3.32 3.57 0.05 1.90 0.51 -1.26 -0.62 118.94 119.76 1a99 s TRP 244 Ca 0.24 1.15 -0.09 0.00 -2.12 0.00 0.00 56.10 55.28 1a99 s TRP 244 Cb -0.01 -2.73 -0.02 0.00 -0.81 0.00 0.00 33.47 29.90 1a99 s TRP 244 CO 0.14 0.13 0.89 0.00 -0.51 0.00 0.00 176.95 177.59 1a99 n ALA 245 N 3.68 -0.19 -0.30 0.98 0.00 -0.59 -0.92 120.51 123.17 1a99 n ALA 245 Ca -0.03 0.25 0.12 0.00 0.00 0.00 0.00 53.44 53.78 1a99 n ALA 245 Cb 0.51 0.17 0.35 0.00 0.00 0.00 0.00 19.45 20.49 1a99 n ALA 245 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1a99 h GLY 246 N 0.00 1.37 0.99 0.00 0.00 -1.86 -0.66 103.07 102.91 1a99 h GLY 246 Ca 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1a99 h GLY 246 CO -0.28 0.07 0.31 -0.55 0.00 0.00 0.00 176.54 176.10 1a99 h ASP 247 N 0.75 0.73 -0.47 0.19 3.32 -1.28 0.98 116.42 120.63 1a99 h ASP 247 Ca 0.48 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.39 1a99 h ASP 247 Cb 0.74 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1a99 h ASP 247 CO -0.24 0.61 0.11 0.58 -1.72 0.00 0.00 179.24 178.58 1a99 h VAL 248 N 0.78 1.24 -0.52 -1.35 2.07 -0.65 -1.26 116.25 116.56 1a99 h VAL 248 Ca 0.20 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1a99 h VAL 248 Cb 0.05 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1a99 h VAL 248 CO -0.03 0.30 0.07 -0.50 0.02 0.00 0.00 177.57 177.42 1a99 h TRP 249 N 0.63 0.87 -0.79 1.57 -0.00 -1.02 0.23 115.95 117.45 1a99 h TRP 249 Ca 0.15 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.89 58.93 1a99 h TRP 249 Cb 0.33 -0.25 -0.04 0.00 -0.00 0.00 0.00 29.16 29.21 1a99 h TRP 249 CO 0.02 0.77 0.47 1.96 -0.00 0.00 0.00 178.44 181.65 1a99 h GLN 250 N 0.79 1.07 -0.10 0.49 4.20 -0.47 0.15 115.11 121.24 1a99 h GLN 250 Ca 0.16 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1a99 h GLN 250 Cb 0.38 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1a99 h GLN 250 CO 0.01 0.76 0.02 0.00 -0.67 0.00 0.00 178.83 178.95 1a99 h ALA 251 N 1.42 0.13 -0.32 3.87 0.00 -0.01 0.07 119.26 124.42 1a99 h ALA 251 Ca 0.28 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1a99 h ALA 251 Cb -0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1a99 h ALA 251 CO -0.05 -0.23 -0.11 1.03 0.00 0.00 0.00 179.25 179.89 1a99 h SER 252 N -0.06 -0.37 -0.41 0.00 0.87 0.06 -1.41 113.55 112.22 1a99 h SER 252 Ca 0.03 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1a99 h SER 252 Cb 0.27 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1a99 h SER 252 CO 0.00 -0.14 0.25 -1.13 -0.53 0.00 0.00 176.83 175.29 1a99 h ASN 253 N -0.04 0.48 -0.58 6.23 -0.73 -0.61 -1.61 115.58 118.72 1a99 h ASN 253 Ca 0.16 -0.04 0.02 0.00 1.87 0.00 0.00 56.30 58.30 1a99 h ASN 253 Cb 0.28 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 38.72 1a99 h ASN 253 CO -0.35 0.38 0.38 0.03 -0.37 0.00 0.00 177.43 177.50 1a99 h ARG 254 N 0.54 0.72 -0.33 6.67 3.08 -0.51 -0.09 114.38 124.47 1a99 h ARG 254 Ca 0.15 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1a99 h ARG 254 Cb -0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1a99 h ARG 254 CO -0.03 0.48 -0.13 0.00 -1.07 0.00 0.00 179.97 179.21 1a99 h ALA 255 N 1.65 0.46 -0.03 0.04 0.00 -0.77 -2.07 119.26 118.54 1a99 h ALA 255 Ca 0.22 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a99 h ALA 255 Cb -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1a99 h ALA 255 CO -0.05 0.34 0.02 0.87 0.00 0.00 0.00 179.25 180.43 1a99 h LYS 256 N 0.44 0.04 0.00 0.00 1.57 -0.47 -0.57 116.57 117.57 1a99 h LYS 256 Ca 0.08 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1a99 h LYS 256 Cb 0.66 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1a99 h LYS 256 CO 0.04 0.08 -0.09 0.93 -0.57 0.00 0.00 179.45 179.84 1a99 h GLU 257 N -0.02 0.00 0.00 3.15 5.08 -1.03 -1.04 114.58 120.73 1a99 h GLU 257 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1a99 h GLU 257 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1a99 h GLU 257 CO -0.00 0.09 -0.28 0.00 -1.00 0.00 0.00 179.01 177.82 1a99 h ALA 258 N 1.91 0.86 -6.14 3.43 0.00 -0.88 -3.47 119.26 114.97 1a99 h ALA 258 Ca -0.00 -0.07 -0.44 0.00 0.00 0.00 0.00 54.91 54.40 1a99 h ALA 258 Cb 0.19 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.00 1a99 h ALA 258 CO 0.01 0.09 -0.77 1.63 0.00 0.00 0.00 179.25 180.21 1a99 n LYS 259 N -3.03 -5.77 -0.01 0.00 5.02 -0.27 -4.87 118.16 109.23 1a99 n LYS 259 Ca 0.03 0.65 0.13 0.00 -2.02 0.00 0.00 58.31 57.10 1a99 n LYS 259 Cb 0.56 -5.48 0.30 0.00 -0.02 0.00 0.00 35.03 30.40 1a99 n LYS 259 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1a99 n ASN 260 N -2.94 2.30 0.00 4.39 0.23 -1.21 -4.95 115.26 113.07 1a99 n ASN 260 Ca -0.08 -1.77 0.00 0.00 -0.53 0.00 0.00 54.58 52.20 1a99 n ASN 260 Cb 0.58 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1a99 n ASN 260 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a99 n GLY 261 N 1.27 1.58 3.71 4.83 0.00 -1.26 -5.02 105.19 110.30 1a99 n GLY 261 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1a99 n GLY 261 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a99 s VAL 262 N -2.68 4.08 -0.41 1.61 1.01 -1.26 -5.00 120.40 117.74 1a99 s VAL 262 Ca 0.00 1.49 -0.03 0.00 0.00 0.00 0.00 61.98 63.44 1a99 s VAL 262 Cb 0.00 -3.95 0.11 0.00 0.00 0.00 0.00 36.38 32.54 1a99 s VAL 262 CO 0.00 0.10 0.21 0.21 0.00 0.00 0.00 175.10 175.62 1a99 s ASN 263 N 1.11 5.24 -0.13 3.32 3.84 -1.26 -4.65 114.94 122.41 1a99 s ASN 263 Ca 0.58 -2.06 -0.06 0.00 0.21 0.00 0.00 52.86 51.53 1a99 s ASN 263 Cb -0.29 -1.82 -0.04 0.00 -0.55 0.00 0.00 41.25 38.55 1a99 s ASN 263 CO 0.28 -0.53 0.10 -0.69 -2.79 0.00 0.00 177.10 173.47 1a99 s VAL 264 N 1.10 5.19 0.29 -5.21 1.01 -1.26 -0.38 120.40 121.14 1a99 s VAL 264 Ca 0.09 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1a99 s VAL 264 Cb -0.23 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1a99 s VAL 264 CO -0.04 0.57 0.14 -0.55 0.00 0.00 0.00 175.10 175.22 1a99 s SER 265 N -0.66 1.40 0.06 3.32 0.15 -0.30 -4.66 113.70 113.01 1a99 s SER 265 Ca 0.12 -1.50 0.04 0.00 0.70 0.00 0.00 55.95 55.31 1a99 s SER 265 Cb -0.12 0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 64.48 1a99 s SER 265 CO 0.02 -0.84 -0.11 0.12 1.20 0.00 0.00 173.24 173.63 1a99 s PHE 266 N -3.67 1.00 -0.02 3.44 5.36 -1.26 -1.06 117.98 121.77 1a99 s PHE 266 Ca 0.36 -0.50 -0.01 0.00 -0.96 0.00 0.00 56.93 55.82 1a99 s PHE 266 Cb 0.06 -0.57 0.01 0.00 -0.34 0.00 0.00 43.02 42.18 1a99 s PHE 266 CO 0.16 -0.00 0.04 0.45 -1.46 0.00 0.00 175.22 174.41 1a99 s SER 267 N -1.79 -0.02 -0.66 6.13 0.15 0.29 -4.99 113.70 112.81 1a99 s SER 267 Ca -0.04 0.09 -0.10 0.00 0.70 0.00 0.00 55.95 56.59 1a99 s SER 267 Cb -0.09 0.06 0.17 0.00 -1.71 0.00 0.00 66.02 64.45 1a99 s SER 267 CO 0.01 -0.04 0.56 -0.63 1.20 0.00 0.00 173.24 174.34 1a99 s ILE 268 N 0.30 4.78 0.53 6.45 1.01 -1.26 -1.76 121.20 131.25 1a99 s ILE 268 Ca -0.02 -2.31 -0.19 0.00 0.00 0.00 0.00 60.65 58.13 1a99 s ILE 268 Cb -0.03 -4.04 -0.11 0.00 0.01 0.00 0.00 42.46 38.29 1a99 s ILE 268 CO -0.01 -0.91 0.36 -2.65 0.00 0.00 0.00 174.94 171.72 1a99 n PRO 269 N 4.23 0.38 0.26 2.79 -0.02 -1.26 -4.87 135.00 136.52 1a99 n PRO 269 Ca 0.04 0.15 0.18 0.00 -2.02 0.00 0.00 63.50 61.84 1a99 n PRO 269 Cb 0.42 -1.49 0.83 0.00 -0.02 0.00 0.00 33.50 33.24 1a99 n PRO 269 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1a99 h LYS 270 N 0.24 0.00 0.00 -0.52 2.10 -1.34 -1.92 116.57 115.13 1a99 h LYS 270 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1a99 h LYS 270 Cb 1.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.74 1a99 h LYS 270 CO 0.46 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.30 1a99 n GLU 271 N -2.86 0.03 0.00 0.07 4.71 -1.26 -5.01 120.64 116.32 1a99 n GLU 271 Ca -0.01 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 1a99 n GLU 271 Cb 0.18 -1.55 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 1a99 n GLU 271 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1a99 n GLY 272 N 1.02 2.20 3.43 0.62 0.00 -0.72 -4.95 105.19 106.79 1a99 n GLY 272 Ca 0.06 -2.07 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 1a99 n GLY 272 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a99 s ALA 273 N -2.14 -1.23 0.19 4.61 0.00 -1.20 -4.54 121.76 117.45 1a99 s ALA 273 Ca 0.00 0.13 -0.23 0.00 0.00 0.00 0.00 51.96 51.86 1a99 s ALA 273 Cb 0.00 0.82 -0.08 0.00 0.00 0.00 0.00 23.12 23.86 1a99 s ALA 273 CO 0.00 -0.75 0.76 1.41 0.00 0.00 0.00 175.76 177.18 1a99 s MET 274 N -3.80 4.45 -0.05 0.00 1.75 -1.26 -1.58 119.30 118.82 1a99 s MET 274 Ca 0.04 1.06 0.05 0.00 -1.25 0.00 0.00 55.69 55.59 1a99 s MET 274 Cb -0.00 -3.11 -0.02 0.00 2.84 0.00 0.00 34.83 34.54 1a99 s MET 274 CO -0.10 0.50 -0.20 0.00 -0.65 0.00 0.00 175.02 174.57 1a99 s ALA 275 N -1.30 2.41 0.20 4.11 0.00 0.29 -1.11 121.76 126.35 1a99 s ALA 275 Ca 0.39 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.40 1a99 s ALA 275 Cb -0.21 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 1a99 s ALA 275 CO 0.24 0.48 -0.15 -0.59 0.00 0.00 0.00 175.76 175.74 1a99 s PHE 276 N -0.45 1.72 -0.27 0.00 -0.71 -0.76 -4.48 117.98 113.03 1a99 s PHE 276 Ca 0.05 -0.55 -0.01 0.00 -1.04 0.00 0.00 56.93 55.37 1a99 s PHE 276 Cb -0.12 -0.81 0.08 0.00 -1.21 0.00 0.00 43.02 40.97 1a99 s PHE 276 CO 0.01 0.35 0.07 -0.06 -1.34 0.00 0.00 175.22 174.25 1a99 s PHE 277 N -2.80 1.52 0.19 3.49 0.08 -1.26 -2.76 117.98 116.43 1a99 s PHE 277 Ca 0.21 -1.45 -0.29 0.00 0.12 0.00 0.00 56.93 55.52 1a99 s PHE 277 Cb -0.02 -1.47 -0.08 0.00 -0.57 0.00 0.00 43.02 40.88 1a99 s PHE 277 CO 0.07 -0.79 0.92 -0.51 -0.10 0.00 0.00 175.22 174.81 1a99 s ASP 278 N 1.69 7.55 0.13 1.36 1.01 -0.78 -0.76 116.67 126.87 1a99 s ASP 278 Ca 0.05 1.84 0.04 0.00 0.71 0.00 0.00 52.55 55.19 1a99 s ASP 278 Cb -0.17 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.13 1a99 s ASP 278 CO -0.19 0.10 -0.09 0.68 0.21 0.00 0.00 175.17 175.87 1a99 s VAL 279 N -0.79 1.03 -0.11 -1.27 -7.23 -0.67 -1.27 120.40 110.09 1a99 s VAL 279 Ca 0.42 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.50 1a99 s VAL 279 Cb -0.25 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 1a99 s VAL 279 CO 0.30 -0.75 0.26 -0.36 -0.31 0.00 0.00 175.10 174.24 1a99 s PHE 280 N -3.27 3.58 0.05 2.82 0.40 -0.39 -2.99 117.98 118.17 1a99 s PHE 280 Ca 0.14 0.66 -0.03 0.00 -0.60 0.00 0.00 56.93 57.10 1a99 s PHE 280 Cb 0.02 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 1a99 s PHE 280 CO -0.01 0.52 0.03 0.00 0.70 0.00 0.00 175.22 176.46 1a99 s ALA 281 N -0.48 0.24 -0.26 5.36 0.00 -0.27 -1.39 121.76 124.97 1a99 s ALA 281 Ca 0.17 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 1a99 s ALA 281 Cb -0.14 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1a99 s ALA 281 CO 0.06 -0.35 -0.03 1.41 0.00 0.00 0.00 175.76 176.85 1a99 s MET 282 N -3.36 2.90 0.24 0.00 1.75 -1.26 -1.80 119.30 117.77 1a99 s MET 282 Ca 0.02 -0.95 -0.31 0.00 -1.25 0.00 0.00 55.69 53.20 1a99 s MET 282 Cb 0.04 -3.07 -0.14 0.00 2.84 0.00 0.00 34.83 34.50 1a99 s MET 282 CO -0.08 -0.41 1.35 -2.30 -0.65 0.00 0.00 175.02 172.94 1a99 n PRO 283 N 4.71 1.92 0.26 4.11 -0.02 -1.26 -1.22 135.00 143.51 1a99 n PRO 283 Ca -0.16 0.68 0.15 0.00 -2.02 0.00 0.00 63.50 62.15 1a99 n PRO 283 Cb 0.47 -2.30 0.81 0.00 -0.02 0.00 0.00 33.50 32.47 1a99 n PRO 283 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a99 h ALA 284 N 3.87 1.10 -0.65 3.55 0.00 -0.84 -0.41 119.26 125.88 1a99 h ALA 284 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1a99 h ALA 284 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1a99 h ALA 284 CO 0.73 -0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 1a99 n ASP 285 N -2.63 3.90 -4.73 0.00 5.75 -1.26 -4.83 116.55 112.74 1a99 n ASP 285 Ca -0.02 -2.08 -0.42 0.00 -0.01 0.00 0.00 54.79 52.26 1a99 n ASP 285 Cb 0.16 -0.46 -0.02 0.00 -1.03 0.00 0.00 41.12 39.77 1a99 n ASP 285 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a99 n ALA 286 N 1.34 2.55 0.02 2.12 0.00 -0.17 -4.93 120.51 121.45 1a99 n ALA 286 Ca 0.22 0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.84 1a99 n ALA 286 Cb 0.63 -2.47 -0.14 0.00 0.00 0.00 0.00 19.45 17.47 1a99 n ALA 286 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1a99 h LYS 287 N 5.52 0.29 -2.73 0.00 -0.00 -1.90 -3.40 116.57 114.34 1a99 h LYS 287 Ca -0.45 -0.49 -0.78 0.00 -0.00 0.00 0.00 60.65 58.92 1a99 h LYS 287 Cb 1.22 0.18 -0.21 0.00 -0.00 0.00 0.00 32.23 33.42 1a99 h LYS 287 CO 0.85 1.20 1.50 0.09 -0.00 0.00 0.00 179.45 183.10 1a99 n ASN 288 N -3.49 6.90 -0.22 7.07 3.02 -1.26 -4.80 115.26 122.48 1a99 n ASN 288 Ca -0.29 -3.38 -0.07 0.00 -0.03 0.00 0.00 54.58 50.82 1a99 n ASN 288 Cb 1.06 -1.30 0.04 0.00 -0.61 0.00 0.00 39.78 38.96 1a99 n ASN 288 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1a99 h LYS 289 N 4.89 0.89 -0.32 3.52 1.57 -1.95 -2.02 116.57 123.15 1a99 h LYS 289 Ca 0.47 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1a99 h LYS 289 Cb 0.44 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1a99 h LYS 289 CO 1.38 0.70 0.10 -0.44 -0.57 0.00 0.00 179.45 180.62 1a99 h ASP 290 N 0.86 0.46 -0.11 0.86 3.32 -1.98 -1.15 116.42 118.68 1a99 h ASP 290 Ca 0.22 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1a99 h ASP 290 Cb 0.10 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1a99 h ASP 290 CO -0.03 0.54 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.67 1a99 h GLU 291 N 0.36 0.34 -0.39 3.56 3.07 -1.88 -2.04 114.58 117.60 1a99 h GLU 291 Ca 0.10 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.82 1a99 h GLU 291 Cb 0.24 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1a99 h GLU 291 CO -0.00 0.39 -0.08 0.00 -1.40 0.00 0.00 179.01 177.92 1a99 h ALA 292 N 1.65 0.53 -0.48 3.43 0.00 -0.87 -2.18 119.26 121.34 1a99 h ALA 292 Ca 0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1a99 h ALA 292 Cb 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1a99 h ALA 292 CO 0.01 0.38 0.10 1.88 0.00 0.00 0.00 179.25 181.63 1a99 h TYR 293 N 0.54 0.75 -0.62 0.00 0.05 -0.84 -0.76 116.97 116.10 1a99 h TYR 293 Ca 0.10 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 1a99 h TYR 293 Cb 0.59 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 1a99 h TYR 293 CO 0.05 0.64 0.19 1.96 -1.05 0.00 0.00 178.16 179.95 1a99 h GLN 294 N 0.70 0.96 -0.19 4.88 4.20 -1.19 -1.36 115.11 123.11 1a99 h GLN 294 Ca 0.16 -0.21 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 1a99 h GLN 294 Cb 0.28 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1a99 h GLN 294 CO -0.00 0.85 -0.41 0.35 -0.67 0.00 0.00 178.83 178.95 1a99 h PHE 295 N 0.88 0.51 -0.38 2.96 3.57 -0.83 -1.08 116.94 122.56 1a99 h PHE 295 Ca 0.20 -0.15 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 1a99 h PHE 295 Cb 0.29 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1a99 h PHE 295 CO 0.02 0.78 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.79 1a99 h LEU 296 N 0.36 0.68 -0.80 0.59 3.38 -0.87 -2.00 115.31 116.64 1a99 h LEU 296 Ca 0.03 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1a99 h LEU 296 Cb 0.87 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1a99 h LEU 296 CO 0.07 0.84 0.30 0.78 0.09 0.00 0.00 178.44 180.51 1a99 h ASN 297 N 0.51 1.10 -0.90 -0.43 2.35 -1.12 -1.49 115.58 115.59 1a99 h ASN 297 Ca 0.11 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1a99 h ASN 297 Cb 0.50 -0.29 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 1a99 h ASN 297 CO 0.02 0.98 0.60 0.22 -1.65 0.00 0.00 177.43 177.60 1a99 h TYR 298 N 1.15 1.12 0.00 1.19 3.20 -0.99 -1.44 116.97 121.20 1a99 h TYR 298 Ca 0.26 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1a99 h TYR 298 Cb 0.24 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.13 1a99 h TYR 298 CO 0.02 0.70 0.00 -0.07 -1.64 0.00 0.00 178.16 177.17 1a99 h LEU 299 N 1.20 0.00 -0.16 2.82 3.38 -0.78 -2.91 115.31 118.87 1a99 h LEU 299 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1a99 h LEU 299 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1a99 h LEU 299 CO -0.08 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.63 1a99 n LEU 300 N -2.86 0.63 -4.66 1.67 4.77 -0.55 -4.33 117.00 111.67 1a99 n LEU 300 Ca 0.03 0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 56.17 1a99 n LEU 300 Cb 0.42 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1a99 n LEU 300 CO 0.30 -0.24 1.31 -0.13 -1.33 0.00 0.00 177.39 177.29 1a99 s ARG 301 N -3.13 4.15 0.34 3.23 0.52 -1.10 -4.92 118.95 118.04 1a99 s ARG 301 Ca 0.10 2.01 0.13 0.00 -0.52 0.00 0.00 55.73 57.44 1a99 s ARG 301 Cb 0.12 -3.94 0.98 0.00 0.52 0.00 0.00 34.95 32.63 1a99 s ARG 301 CO 0.53 -0.87 1.72 -1.35 0.02 0.00 0.00 175.30 175.35 1a99 h PRO 302 N 9.37 0.48 -0.05 3.54 0.11 -1.90 -0.29 132.00 143.26 1a99 h PRO 302 Ca -0.36 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.55 1a99 h PRO 302 Cb 1.16 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1a99 h PRO 302 CO 0.96 0.31 -0.72 0.38 -0.21 0.00 0.00 178.00 178.73 1a99 h ASP 303 N 0.49 0.34 0.28 -2.05 2.03 -1.92 -2.26 116.42 113.33 1a99 h ASP 303 Ca 0.66 -0.23 -0.01 0.00 -0.73 0.00 0.00 57.03 56.72 1a99 h ASP 303 Cb 1.40 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 1a99 h ASP 303 CO -0.47 0.95 -0.13 0.58 -1.03 0.00 0.00 179.24 179.14 1a99 h VAL 304 N 0.19 0.76 -0.10 4.15 2.07 -1.33 -1.50 116.25 120.48 1a99 h VAL 304 Ca -0.03 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.12 1a99 h VAL 304 Cb 1.28 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1a99 h VAL 304 CO 0.12 0.06 -0.42 -0.37 0.02 0.00 0.00 177.57 176.97 1a99 h VAL 305 N -0.51 1.31 -0.56 2.57 -1.51 -1.55 -2.44 116.25 113.55 1a99 h VAL 305 Ca -0.04 -1.55 -0.09 0.00 -1.23 0.00 0.00 66.70 63.80 1a99 h VAL 305 Cb 0.38 1.71 -0.02 0.00 -2.13 0.00 0.00 31.29 31.23 1a99 h VAL 305 CO 0.06 0.46 0.00 0.00 -1.23 0.00 0.00 177.57 176.87 1a99 h ALA 306 N 1.37 0.95 -0.63 5.19 0.00 -1.39 -0.79 119.26 123.96 1a99 h ALA 306 Ca 0.02 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1a99 h ALA 306 Cb 0.83 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1a99 h ALA 306 CO 0.07 0.64 0.39 1.25 0.00 0.00 0.00 179.25 181.59 1a99 h HIS 307 N 0.89 0.74 0.29 0.00 6.17 -0.94 -1.28 115.15 121.02 1a99 h HIS 307 Ca 0.16 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.25 1a99 h HIS 307 Cb 0.51 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 30.20 1a99 h HIS 307 CO 0.03 0.43 -0.14 0.82 0.71 0.00 0.00 177.93 179.78 1a99 h ILE 308 N 0.78 0.74 -0.38 6.26 2.04 -0.99 -2.67 117.51 123.28 1a99 h ILE 308 Ca 0.25 -0.21 0.11 0.00 1.00 0.00 0.00 64.86 66.01 1a99 h ILE 308 Cb -0.00 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1a99 h ILE 308 CO -0.09 0.04 0.28 0.28 0.00 0.00 0.00 178.15 178.66 1a99 h SER 309 N -0.50 0.01 -0.37 1.72 0.02 -0.92 -0.04 113.55 113.47 1a99 h SER 309 Ca -0.04 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 1a99 h SER 309 Cb 0.37 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1a99 h SER 309 CO 0.07 0.01 0.04 0.44 -1.14 0.00 0.00 176.83 176.25 1a99 h ASP 310 N 0.01 0.68 0.10 3.07 3.32 -0.89 -0.87 116.42 121.84 1a99 h ASP 310 Ca 0.18 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 1a99 h ASP 310 Cb 0.71 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1a99 h ASP 310 CO -0.00 0.72 -2.02 1.41 -1.72 0.00 0.00 179.24 177.62 1a99 n HIS 311 N -4.25 0.12 0.03 4.55 8.25 -0.47 -4.49 115.22 118.95 1a99 n HIS 311 Ca 0.03 0.04 0.09 0.00 -0.26 0.00 0.00 57.72 57.61 1a99 n HIS 311 Cb 0.26 -0.71 -0.10 0.00 1.12 0.00 0.00 29.99 30.55 1a99 n HIS 311 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1a99 n VAL 312 N -2.47 0.42 -2.50 1.59 0.31 -0.15 -4.96 118.33 110.57 1a99 n VAL 312 Ca -0.13 -0.56 -0.15 0.00 -0.01 0.00 0.00 64.34 63.49 1a99 n VAL 312 Cb 0.76 -0.22 0.01 0.00 -0.91 0.00 0.00 33.84 33.48 1a99 n VAL 312 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1a99 n PHE 313 N -2.50 -1.00 -4.57 3.52 3.01 -0.33 -4.62 117.46 110.96 1a99 n PHE 313 Ca -0.05 0.16 -0.30 0.00 1.01 0.00 0.00 57.45 58.27 1a99 n PHE 313 Cb 0.63 -3.28 -0.13 0.00 -0.01 0.00 0.00 39.48 36.69 1a99 n PHE 313 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1a99 s TYR 314 N -2.85 2.42 0.10 1.38 2.02 -1.25 -4.08 117.35 115.08 1a99 s TYR 314 Ca 0.09 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.16 1a99 s TYR 314 Cb -0.04 -1.36 -0.06 0.00 -0.40 0.00 0.00 41.96 40.10 1a99 s TYR 314 CO 0.11 0.27 1.09 0.00 -1.57 0.00 0.00 175.55 175.45 1a99 s ALA 315 N -0.98 3.32 0.66 3.71 0.00 -1.23 -4.53 121.76 122.71 1a99 s ALA 315 Ca 0.14 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.85 1a99 s ALA 315 Cb -0.10 -3.37 0.10 0.00 0.00 0.00 0.00 23.12 19.75 1a99 s ALA 315 CO 0.06 -0.26 0.92 0.54 0.00 0.00 0.00 175.76 177.02 1a99 s ASN 316 N 0.49 4.66 0.00 0.00 4.22 -1.26 -1.93 114.94 121.12 1a99 s ASN 316 Ca 0.52 -0.31 0.21 0.00 -2.14 0.00 0.00 52.86 51.14 1a99 s ASN 316 Cb -0.27 -0.22 0.52 0.00 1.28 0.00 0.00 41.25 42.56 1a99 s ASN 316 CO 0.31 -1.63 1.44 0.00 -2.04 0.00 0.00 177.10 175.18 1a99 n ALA 317 N -2.65 2.37 -2.63 3.54 0.00 -0.95 -4.85 120.51 115.33 1a99 n ALA 317 Ca 0.13 -1.16 -0.43 0.00 0.00 0.00 0.00 53.44 51.98 1a99 n ALA 317 Cb 0.60 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 1a99 n ALA 317 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1a99 s ASN 318 N -1.16 6.37 0.33 0.00 3.84 -1.26 0.37 114.94 123.43 1a99 s ASN 318 Ca 0.42 -0.27 0.02 0.00 0.21 0.00 0.00 52.86 53.23 1a99 s ASN 318 Cb 0.23 -2.43 0.56 0.00 -0.55 0.00 0.00 41.25 39.06 1a99 s ASN 318 CO 0.30 -1.15 1.93 0.50 -2.79 0.00 0.00 177.10 175.89 1a99 h LYS 319 N 9.22 0.77 -0.03 0.43 3.64 -0.54 -2.47 116.57 127.59 1a99 h LYS 319 Ca -0.26 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 58.93 1a99 h LYS 319 Cb 1.08 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1a99 h LYS 319 CO 1.06 0.61 -0.44 0.00 -2.27 0.00 0.00 179.45 178.41 1a99 h ALA 320 N 1.50 1.22 0.00 5.00 0.00 -1.88 -3.19 119.26 121.91 1a99 h ALA 320 Ca 0.19 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1a99 h ALA 320 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1a99 h ALA 320 CO -0.02 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1a99 h ALA 321 N 1.51 1.00 -0.98 0.00 0.00 -1.70 -3.36 119.26 115.72 1a99 h ALA 321 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1a99 h ALA 321 Cb 0.80 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1a99 h ALA 321 CO 0.06 0.00 0.65 0.00 0.00 0.00 0.00 179.25 179.96 1a99 h THR 322 N 0.00 1.22 -0.12 0.00 1.03 -1.54 -1.35 112.91 112.15 1a99 h THR 322 Ca 0.00 -0.44 0.02 0.00 -0.01 0.00 0.00 66.41 65.98 1a99 h THR 322 Cb 0.76 -0.19 -0.01 0.00 -1.07 0.00 0.00 68.15 67.64 1a99 h THR 322 CO 0.00 0.24 0.08 -0.65 -0.01 0.00 0.00 175.52 175.18 1a99 h PRO 323 N 1.30 0.05 0.00 0.00 0.11 -1.82 -1.30 132.00 130.34 1a99 h PRO 323 Ca 0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1a99 h PRO 323 Cb -0.09 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1a99 h PRO 323 CO -0.10 0.03 0.00 1.28 -0.21 0.00 0.00 178.00 179.01 1a99 n LEU 324 N -4.51 0.00 -4.75 2.35 4.32 -0.52 -4.83 117.00 109.05 1a99 n LEU 324 Ca -0.01 0.30 -0.40 0.00 -0.02 0.00 0.00 56.01 55.88 1a99 n LEU 324 Cb 0.16 -0.30 -0.05 0.00 -1.62 0.00 0.00 43.42 41.62 1a99 n LEU 324 CO 0.34 -0.00 0.51 -0.69 -1.22 0.00 0.00 177.39 176.34 1a99 s VAL 325 N -2.59 4.54 0.35 4.08 1.01 -0.49 -4.84 120.40 122.47 1a99 s VAL 325 Ca 0.28 1.75 -0.25 0.00 0.00 0.00 0.00 61.98 63.76 1a99 s VAL 325 Cb 0.20 -4.17 -0.14 0.00 0.00 0.00 0.00 36.38 32.28 1a99 s VAL 325 CO 0.46 0.41 0.67 -1.20 0.00 0.00 0.00 175.10 175.44 1a99 n SER 326 N 2.35 -0.34 -0.07 3.32 7.64 -1.26 -4.61 113.62 120.65 1a99 n SER 326 Ca -0.03 1.01 0.01 0.00 1.01 0.00 0.00 58.87 60.87 1a99 n SER 326 Cb 0.49 -1.14 0.30 0.00 -1.01 0.00 0.00 64.21 62.86 1a99 n SER 326 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a99 h ALA 327 N 1.15 1.46 -0.78 -0.43 0.00 -1.94 0.01 119.26 118.72 1a99 h ALA 327 Ca -0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1a99 h ALA 327 Cb 1.39 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1a99 h ALA 327 CO 0.55 0.42 0.40 1.05 0.00 0.00 0.00 179.25 181.66 1a99 h GLU 328 N 0.68 1.10 0.02 0.00 4.11 -1.96 0.12 114.58 118.66 1a99 h GLU 328 Ca 0.17 -0.14 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 1a99 h GLU 328 Cb 0.11 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1a99 h GLU 328 CO -0.02 0.83 -0.01 0.28 0.07 0.00 0.00 179.01 180.16 1a99 h VAL 329 N 1.10 0.46 -0.28 -1.06 2.07 -1.78 -3.25 116.25 113.50 1a99 h VAL 329 Ca 0.27 -1.31 0.08 0.00 0.82 0.00 0.00 66.70 66.56 1a99 h VAL 329 Cb 0.07 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1a99 h VAL 329 CO -0.04 0.15 0.27 -0.09 0.02 0.00 0.00 177.57 177.89 1a99 h ARG 330 N -1.00 0.00 -0.58 1.57 2.43 -1.03 -1.79 114.38 113.98 1a99 h ARG 330 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1a99 h ARG 330 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1a99 h ARG 330 CO 0.00 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.85 1a99 n GLU 331 N -3.90 2.75 -2.87 0.20 1.02 0.03 -4.72 120.64 113.16 1a99 n GLU 331 Ca 0.04 -2.42 -0.42 0.00 -0.02 0.00 0.00 57.16 54.33 1a99 n GLU 331 Cb 0.42 -1.46 -0.04 0.00 -0.02 0.00 0.00 31.44 30.34 1a99 n GLU 331 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1a99 s ASN 332 N -1.02 6.77 0.02 1.62 3.84 -0.67 -4.91 114.94 120.58 1a99 s ASN 332 Ca 0.39 0.85 0.15 0.00 0.21 0.00 0.00 52.86 54.46 1a99 s ASN 332 Cb 0.21 -2.44 0.63 0.00 -0.55 0.00 0.00 41.25 39.09 1a99 s ASN 332 CO 0.27 -0.64 1.47 -0.81 -2.79 0.00 0.00 177.10 174.60 1a99 n PRO 333 N 6.28 0.01 0.00 0.43 -0.04 -1.26 -0.67 135.00 139.75 1a99 n PRO 333 Ca 0.06 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.92 1a99 n PRO 333 Cb 0.48 -1.53 0.43 0.00 -0.04 0.00 0.00 33.50 32.84 1a99 n PRO 333 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a99 n GLY 334 N -0.04 0.00 0.72 0.55 0.00 -1.26 -2.81 105.19 102.35 1a99 n GLY 334 Ca 0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 1a99 n GLY 334 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1a99 n ILE 335 N 0.15 0.04 -3.92 -0.61 5.41 -0.55 -4.85 119.36 115.03 1a99 n ILE 335 Ca 0.17 -0.01 -0.29 0.00 1.00 0.00 0.00 62.75 63.62 1a99 n ILE 335 Cb 0.39 -1.25 -0.13 0.00 -0.71 0.00 0.00 39.64 37.94 1a99 n ILE 335 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1a99 s TYR 336 N -2.01 3.32 0.49 1.39 2.02 0.16 -4.29 117.35 118.42 1a99 s TYR 336 Ca -0.01 -3.23 -0.21 0.00 -0.37 0.00 0.00 57.07 53.25 1a99 s TYR 336 Cb 0.00 -2.74 -0.07 0.00 -0.40 0.00 0.00 41.96 38.75 1a99 s TYR 336 CO 0.01 -0.66 1.12 -1.25 -1.57 0.00 0.00 175.55 173.20 1a99 s PRO 337 N -0.80 3.68 0.86 -1.71 0.04 -1.12 -4.22 135.00 131.73 1a99 s PRO 337 Ca 0.21 1.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 1a99 s PRO 337 Cb -0.16 -2.23 0.11 0.00 0.04 0.00 0.00 34.50 32.26 1a99 s PRO 337 CO -0.07 -0.58 1.10 -1.25 0.04 0.00 0.00 177.00 176.23 1a99 s PRO 338 N -2.97 1.52 0.55 0.56 0.04 -1.26 -4.74 135.00 128.70 1a99 s PRO 338 Ca 0.67 1.08 0.22 0.00 0.04 0.00 0.00 61.00 63.00 1a99 s PRO 338 Cb -0.24 -1.82 1.49 0.00 0.04 0.00 0.00 34.50 33.97 1a99 s PRO 338 CO 0.28 -2.13 2.18 0.00 0.04 0.00 0.00 177.00 177.37 1a99 h ALA 339 N -1.48 1.85 0.00 8.56 0.00 -1.98 -0.65 119.26 125.56 1a99 h ALA 339 Ca -0.47 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 1a99 h ALA 339 Cb 1.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1a99 h ALA 339 CO 0.51 -0.05 -0.52 0.38 0.00 0.00 0.00 179.25 179.57 1a99 h ASP 340 N 0.00 0.00 0.47 0.00 2.03 -2.00 -2.34 116.42 114.58 1a99 h ASP 340 Ca 0.02 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.01 1a99 h ASP 340 Cb 0.08 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.57 1a99 h ASP 340 CO -0.00 0.52 -1.50 0.58 -1.03 0.00 0.00 179.24 177.81 1a99 h VAL 341 N 0.00 1.19 0.00 4.15 2.07 -1.68 -3.25 116.25 118.73 1a99 h VAL 341 Ca -0.01 -2.82 -0.02 0.00 0.82 0.00 0.00 66.70 64.68 1a99 h VAL 341 Cb 1.19 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 33.73 1a99 h VAL 341 CO 0.07 0.82 -0.09 0.03 0.02 0.00 0.00 177.57 178.42 1a99 h ARG 342 N 0.07 0.00 0.00 1.57 3.08 -1.11 -2.29 114.38 115.70 1a99 h ARG 342 Ca -0.23 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.73 1a99 h ARG 342 Cb 2.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.05 1a99 h ARG 342 CO 0.17 0.09 -0.44 0.00 -1.07 0.00 0.00 179.97 178.72 1a99 h ALA 343 N 1.91 1.03 -0.42 0.04 0.00 -1.45 -3.08 119.26 117.28 1a99 h ALA 343 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1a99 h ALA 343 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1a99 h ALA 343 CO 0.01 0.54 0.00 1.63 0.00 0.00 0.00 179.25 181.44 1a99 n LYS 344 N -3.66 3.14 -4.05 0.00 5.02 -0.86 -4.93 118.16 112.81 1a99 n LYS 344 Ca -0.01 -2.01 -0.26 0.00 -2.02 0.00 0.00 58.31 54.02 1a99 n LYS 344 Cb 0.52 -1.81 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 1a99 n LYS 344 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a99 s LEU 345 N -1.57 3.94 0.13 -0.35 1.43 -1.17 -3.28 118.68 117.82 1a99 s LEU 345 Ca 0.35 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.44 1a99 s LEU 345 Cb 0.24 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1a99 s LEU 345 CO 0.15 0.06 -0.10 0.72 0.23 0.00 0.00 176.35 177.41 1a99 s PHE 346 N -1.75 1.18 0.23 0.29 -0.12 -0.61 -4.95 117.98 112.25 1a99 s PHE 346 Ca 0.32 -0.75 0.10 0.00 -0.05 0.00 0.00 56.93 56.55 1a99 s PHE 346 Cb -0.10 -0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 41.63 1a99 s PHE 346 CO 0.25 0.04 -0.14 0.95 -0.05 0.00 0.00 175.22 176.26 1a99 s THR 347 N -3.14 2.85 0.34 -4.49 -4.23 -1.26 -0.55 115.64 105.16 1a99 s THR 347 Ca 0.13 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.39 1a99 s THR 347 Cb 0.02 -2.45 -0.10 0.00 1.34 0.00 0.00 72.50 71.31 1a99 s THR 347 CO -0.00 -0.24 0.97 -0.76 -0.54 0.00 0.00 174.62 174.04 1a99 s LEU 348 N -3.14 4.29 0.20 4.79 1.43 -1.26 -4.92 118.68 120.06 1a99 s LEU 348 Ca 0.27 1.87 0.08 0.00 -1.03 0.00 0.00 54.13 55.32 1a99 s LEU 348 Cb -0.07 -4.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.05 1a99 s LEU 348 CO 0.15 -0.15 -0.03 -0.54 0.23 0.00 0.00 176.35 176.01 1a99 s LYS 349 N -2.16 2.28 0.07 1.70 -0.14 -1.26 -4.80 119.74 115.42 1a99 s LYS 349 Ca 0.52 -1.22 -0.30 0.00 -1.36 0.00 0.00 55.97 53.60 1a99 s LYS 349 Cb -0.19 -2.26 -0.05 0.00 -1.68 0.00 0.00 37.83 33.65 1a99 s LYS 349 CO 0.24 0.43 1.14 0.08 -0.76 0.00 0.00 175.35 176.48 1a99 s VAL 350 N -1.86 4.18 0.19 3.17 1.01 -1.26 -5.04 120.40 120.79 1a99 s VAL 350 Ca 0.28 1.60 0.02 0.00 0.00 0.00 0.00 61.98 63.88 1a99 s VAL 350 Cb -0.08 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1a99 s VAL 350 CO 0.18 0.15 0.33 -1.10 0.00 0.00 0.00 175.10 174.66 1a99 s GLN 351 N 0.84 3.46 0.61 2.72 -1.52 -1.26 -5.10 119.66 119.41 1a99 s GLN 351 Ca 0.56 -0.58 -0.15 0.00 -1.95 0.00 0.00 55.36 53.25 1a99 s GLN 351 Cb -0.28 -2.91 -0.03 0.00 -0.22 0.00 0.00 33.01 29.57 1a99 s GLN 351 CO 0.30 0.46 1.05 0.16 -0.25 0.00 0.00 175.29 177.01 1a99 s ASP 352 N -3.44 5.74 0.57 5.90 -4.77 -1.26 -4.80 116.67 114.62 1a99 s ASP 352 Ca 0.35 1.75 0.32 0.00 -3.30 0.00 0.00 52.55 51.67 1a99 s ASP 352 Cb -0.10 -2.52 1.42 0.00 -1.09 0.00 0.00 42.92 40.62 1a99 s ASP 352 CO 0.29 -1.20 1.75 -0.65 0.70 0.00 0.00 175.17 176.07 1a99 h PRO 353 N 0.17 0.00 0.97 2.11 0.11 -1.98 -2.18 132.00 131.19 1a99 h PRO 353 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1a99 h PRO 353 Cb 1.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.33 1a99 h PRO 353 CO 0.58 0.00 -0.46 -0.22 -0.21 0.00 0.00 178.00 177.68 1a99 h LYS 354 N 0.00 -1.25 -0.49 1.05 3.64 -2.00 0.16 116.57 117.68 1a99 h LYS 354 Ca 0.41 0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.93 1a99 h LYS 354 Cb 1.96 0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 34.03 1a99 h LYS 354 CO -0.00 -0.83 0.33 0.82 -2.27 0.00 0.00 179.45 177.49 1a99 h ILE 355 N -1.32 0.99 0.35 2.00 1.08 -1.78 -0.25 117.51 118.57 1a99 h ILE 355 Ca -0.13 -0.15 -0.02 0.00 -0.39 0.00 0.00 64.86 64.17 1a99 h ILE 355 Cb 0.99 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.25 1a99 h ILE 355 CO 0.22 0.08 -0.17 0.44 -0.69 0.00 0.00 178.15 178.03 1a99 h ASP 356 N 0.45 -0.39 -0.33 1.72 3.32 -1.04 -0.38 116.42 119.77 1a99 h ASP 356 Ca 0.21 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1a99 h ASP 356 Cb 0.27 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1a99 h ASP 356 CO -0.05 -0.23 0.22 -0.09 -1.72 0.00 0.00 179.24 177.37 1a99 h ARG 357 N -0.53 0.44 0.04 3.56 2.43 -0.17 -0.43 114.38 119.71 1a99 h ARG 357 Ca -0.05 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1a99 h ARG 357 Cb 0.40 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 1a99 h ARG 357 CO 0.08 0.30 -0.36 0.28 -1.51 0.00 0.00 179.97 178.76 1a99 h VAL 358 N 0.45 0.25 -0.43 0.20 2.07 -0.99 -0.35 116.25 117.45 1a99 h VAL 358 Ca 0.12 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.69 1a99 h VAL 358 Cb -0.04 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 1a99 h VAL 358 CO -0.03 0.00 0.18 -0.09 0.02 0.00 0.00 177.57 177.66 1a99 h ARG 359 N -0.53 0.36 -0.53 1.57 2.43 -0.88 0.13 114.38 116.91 1a99 h ARG 359 Ca 0.05 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1a99 h ARG 359 Cb 0.60 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1a99 h ARG 359 CO -0.26 0.24 0.18 1.15 -1.51 0.00 0.00 179.97 179.77 1a99 h THR 360 N 0.37 1.23 -0.16 0.20 2.02 -0.78 -0.47 112.91 115.32 1a99 h THR 360 Ca 0.20 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 1a99 h THR 360 Cb 0.15 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1a99 h THR 360 CO -0.17 0.28 -0.01 0.03 0.37 0.00 0.00 175.52 176.02 1a99 h ARG 361 N 0.73 0.29 -0.90 6.66 -0.00 -0.77 -2.15 114.38 118.24 1a99 h ARG 361 Ca 0.17 -0.09 0.08 0.00 -0.50 0.00 0.00 59.98 59.64 1a99 h ARG 361 Cb 0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 29.97 30.13 1a99 h ARG 361 CO -0.01 0.52 0.58 0.00 0.00 0.00 0.00 179.97 181.06 1a99 h ALA 362 N 0.76 1.57 -0.58 0.04 0.00 -0.60 -1.52 119.26 118.93 1a99 h ALA 362 Ca 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1a99 h ALA 362 Cb 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1a99 h ALA 362 CO 0.01 0.27 -0.01 2.35 0.00 0.00 0.00 179.25 181.88 1a99 h TRP 363 N 0.96 1.11 -0.21 0.00 2.91 -0.86 -1.57 115.95 118.29 1a99 h TRP 363 Ca 0.40 -0.19 -0.06 0.00 1.13 0.00 0.00 58.89 60.18 1a99 h TRP 363 Cb 0.30 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1a99 h TRP 363 CO -0.00 0.98 -0.13 1.15 -1.03 0.00 0.00 178.44 179.41 1a99 h THR 364 N 0.93 1.20 0.27 2.65 2.02 -0.63 -0.61 112.91 118.74 1a99 h THR 364 Ca 0.17 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 1a99 h THR 364 Cb 0.55 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1a99 h THR 364 CO 0.03 0.28 -0.13 0.50 0.37 0.00 0.00 175.52 176.57 1a99 h LYS 365 N 0.32 -0.35 -0.65 6.66 3.64 -0.92 -2.05 116.57 123.22 1a99 h LYS 365 Ca 0.06 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.54 1a99 h LYS 365 Cb 0.43 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 1a99 h LYS 365 CO 0.02 -0.04 0.33 0.28 -2.27 0.00 0.00 179.45 177.77 1a99 h VAL 366 N -0.66 0.92 0.30 2.00 2.07 -1.04 -2.82 116.25 117.02 1a99 h VAL 366 Ca -0.04 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1a99 h VAL 366 Cb 0.46 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1a99 h VAL 366 CO 0.06 0.11 -0.15 0.11 0.02 0.00 0.00 177.57 177.72 1a99 h LYS 367 N 0.61 -0.39 -0.97 1.57 1.57 -1.09 -3.20 116.57 114.66 1a99 h LYS 367 Ca 0.30 0.03 0.22 0.00 -1.87 0.00 0.00 60.65 59.33 1a99 h LYS 367 Cb 0.24 0.09 -0.12 0.00 0.08 0.00 0.00 32.23 32.52 1a99 h LYS 367 CO -0.21 -0.12 0.55 0.77 -0.57 0.00 0.00 179.45 179.86 1a99 h SER 368 N -0.64 0.62 0.00 0.86 0.02 -1.27 -3.51 113.55 109.63 1a99 h SER 368 Ca -0.04 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1a99 h SER 368 Cb 0.45 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1a99 h SER 368 CO 0.07 0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.49