#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 4.45 0.16 -1.09 -0.14 -1.26 -5.01 119.74 116.85 1a99 s LYS 30 Ca 0.00 0.96 0.09 0.00 -1.36 0.00 0.00 55.97 55.66 1a99 s LYS 30 Cb 0.00 -3.38 -0.04 0.00 -1.68 0.00 0.00 37.83 32.73 1a99 s LYS 30 CO 0.00 0.23 -0.19 0.99 -0.76 0.00 0.00 175.35 175.63 1a99 s THR 31 N 0.16 1.86 -0.04 2.17 2.01 -1.26 -0.51 115.64 120.02 1a99 s THR 31 Ca 0.37 -1.90 -0.02 0.00 0.31 0.00 0.00 61.69 60.45 1a99 s THR 31 Cb -0.19 -1.85 0.03 0.00 0.01 0.00 0.00 72.50 70.50 1a99 s THR 31 CO 0.21 -0.28 0.09 -0.22 -0.69 0.00 0.00 174.62 173.72 1a99 s LEU 32 N -2.62 0.65 -0.25 4.42 0.20 -0.33 -4.78 118.68 115.98 1a99 s LEU 32 Ca 0.16 0.16 -0.06 0.00 0.69 0.00 0.00 54.13 55.07 1a99 s LEU 32 Cb -0.06 0.09 -0.01 0.00 -0.43 0.00 0.00 46.19 45.77 1a99 s LEU 32 CO 0.07 -0.17 0.04 -1.00 -0.29 0.00 0.00 176.35 174.99 1a99 s HIS 33 N 1.46 3.06 -0.06 5.38 3.76 -1.26 0.13 115.29 127.75 1a99 s HIS 33 Ca -0.05 -0.73 0.05 0.00 -0.15 0.00 0.00 55.06 54.17 1a99 s HIS 33 Cb -0.12 -2.20 -0.02 0.00 1.11 0.00 0.00 32.58 31.35 1a99 s HIS 33 CO -0.04 -0.48 -0.20 0.42 -0.85 0.00 0.00 174.74 173.59 1a99 s ILE 34 N 1.54 2.48 -0.27 0.60 1.01 0.11 -1.07 121.20 125.60 1a99 s ILE 34 Ca 0.05 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1a99 s ILE 34 Cb -0.15 -1.94 0.06 0.00 0.01 0.00 0.00 42.46 40.43 1a99 s ILE 34 CO 0.01 0.57 -0.09 -0.47 0.00 0.00 0.00 174.94 174.96 1a99 s TYR 35 N -0.26 3.28 0.23 3.97 5.04 -0.28 -0.40 117.35 128.93 1a99 s TYR 35 Ca 0.00 -2.28 0.02 0.00 -2.44 0.00 0.00 57.07 52.37 1a99 s TYR 35 Cb -0.13 -1.98 -0.05 0.00 0.35 0.00 0.00 41.96 40.15 1a99 s TYR 35 CO 0.03 -0.87 0.04 1.21 -1.34 0.00 0.00 175.55 174.62 1a99 s ASN 36 N 1.12 1.41 0.55 4.32 3.04 -0.35 -2.24 114.94 122.77 1a99 s ASN 36 Ca -0.08 -1.28 -0.21 0.00 0.04 0.00 0.00 52.86 51.33 1a99 s ASN 36 Cb -0.20 0.10 -0.05 0.00 -1.54 0.00 0.00 41.25 39.56 1a99 s ASN 36 CO -0.05 -0.63 1.26 0.26 -3.04 0.00 0.00 177.10 174.91 1a99 s TRP 37 N -3.63 2.44 0.77 0.43 0.52 -1.26 -1.72 118.94 116.50 1a99 s TRP 37 Ca 0.32 1.47 -0.12 0.00 0.02 0.00 0.00 56.10 57.79 1a99 s TRP 37 Cb 0.07 -3.59 0.06 0.00 -1.15 0.00 0.00 33.47 28.85 1a99 s TRP 37 CO 0.10 -2.36 1.11 -1.54 0.02 0.00 0.00 176.95 174.28 1a99 s SER 38 N -1.29 4.41 -1.61 2.95 1.04 -0.63 -3.38 113.70 115.19 1a99 s SER 38 Ca 0.72 1.93 -0.11 0.00 0.48 0.00 0.00 55.95 58.97 1a99 s SER 38 Cb -0.34 -2.54 0.10 0.00 0.10 0.00 0.00 66.02 63.34 1a99 s SER 38 CO 0.39 -2.10 0.60 0.47 0.98 0.00 0.00 173.24 173.58 1a99 n ASP 39 N -3.36 -1.98 -0.93 7.02 8.00 -1.26 -4.88 116.55 119.17 1a99 n ASP 39 Ca 0.10 -1.04 0.05 0.00 0.71 0.00 0.00 54.79 54.61 1a99 n ASP 39 Cb 0.53 -2.71 0.09 0.00 -0.02 0.00 0.00 41.12 39.00 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 -3.45 1.24 9.36 -1.22 -4.95 117.16 113.74 1a99 n TYR 40 Ca -0.08 -0.82 -0.13 0.00 3.32 0.00 0.00 57.90 60.19 1a99 n TYR 40 Cb 0.57 -0.17 -0.03 0.00 -0.63 0.00 0.00 39.34 39.08 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 -1.37 0.00 0.51 2.97 2.07 -1.26 -4.95 121.20 119.16 1a99 s ILE 41 Ca 0.31 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.36 1a99 s ILE 41 Cb 0.32 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.84 1a99 s ILE 41 CO -0.10 0.00 1.04 0.00 -1.91 0.00 0.00 174.94 173.97 1a99 s ALA 42 N -3.16 2.86 0.55 1.50 0.00 -1.26 -4.85 121.76 117.40 1a99 s ALA 42 Ca -0.01 0.52 0.27 0.00 0.00 0.00 0.00 51.96 52.75 1a99 s ALA 42 Cb -0.01 -3.24 1.45 0.00 0.00 0.00 0.00 23.12 21.33 1a99 s ALA 42 CO -0.08 -0.41 1.97 -1.00 0.00 0.00 0.00 175.76 176.23 1a99 h PRO 43 N 1.26 0.00 -0.01 0.00 0.13 -1.98 -2.78 132.00 128.63 1a99 h PRO 43 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1a99 h PRO 43 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1a99 h PRO 43 CO 0.59 0.00 -0.23 -0.40 -0.23 0.00 0.00 178.00 177.73 1a99 n ASP 44 N -4.17 1.23 -0.25 1.44 5.75 -1.26 -4.73 116.55 114.56 1a99 n ASP 44 Ca 0.10 -1.12 0.05 0.00 -0.01 0.00 0.00 54.79 53.82 1a99 n ASP 44 Cb 0.66 0.49 0.18 0.00 -1.03 0.00 0.00 41.12 41.41 1a99 n ASP 44 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1a99 h THR 45 N 1.15 0.47 -0.24 2.12 2.02 -1.88 -0.57 112.91 115.99 1a99 h THR 45 Ca 0.00 -0.08 -0.15 0.00 0.77 0.00 0.00 66.41 66.95 1a99 h THR 45 Cb 0.36 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1a99 h THR 45 CO 0.00 0.04 -0.44 0.58 0.37 0.00 0.00 175.52 176.08 1a99 h VAL 46 N 0.22 1.31 -0.05 3.16 2.07 -1.85 -2.35 116.25 118.76 1a99 h VAL 46 Ca 0.41 -1.64 0.01 0.00 0.82 0.00 0.00 66.70 66.30 1a99 h VAL 46 Cb 0.72 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1a99 h VAL 46 CO -0.54 0.52 -0.04 0.00 0.02 0.00 0.00 177.57 177.53 1a99 h ALA 47 N 0.63 -0.00 -0.33 1.67 0.00 -1.68 0.61 119.26 120.17 1a99 h ALA 47 Ca 0.01 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1a99 h ALA 47 Cb 1.04 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1a99 h ALA 47 CO 0.10 -0.52 0.17 -0.91 0.00 0.00 0.00 179.25 178.09 1a99 h ASN 48 N -0.05 0.27 -0.89 0.00 2.35 -1.16 -0.49 115.58 115.60 1a99 h ASN 48 Ca 0.03 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1a99 h ASN 48 Cb 0.10 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 1a99 h ASN 48 CO -0.08 0.20 0.59 0.15 -1.65 0.00 0.00 177.43 176.63 1a99 h PHE 49 N 0.36 1.09 -0.20 1.19 3.57 -1.10 -0.86 116.94 120.98 1a99 h PHE 49 Ca 0.13 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1a99 h PHE 49 Cb 0.03 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 1a99 h PHE 49 CO -0.09 0.64 0.01 0.93 -2.23 0.00 0.00 178.31 177.58 1a99 h GLU 50 N 1.14 0.35 -0.46 1.11 5.08 -0.14 -1.58 114.58 120.07 1a99 h GLU 50 Ca 0.35 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1a99 h GLU 50 Cb -0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1a99 h GLU 50 CO -0.10 0.53 0.23 1.57 -1.00 0.00 0.00 179.01 180.25 1a99 h LYS 51 N 0.12 0.66 0.00 2.33 2.10 -0.71 0.68 116.57 121.75 1a99 h LYS 51 Ca 0.06 -0.09 -0.06 0.00 -2.00 0.00 0.00 60.65 58.56 1a99 h LYS 51 Cb 0.37 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 1a99 h LYS 51 CO 0.01 0.55 -0.27 0.93 -2.00 0.00 0.00 179.45 178.67 1a99 h GLU 52 N 0.61 0.00 0.00 0.07 5.08 -1.10 -3.32 114.58 115.91 1a99 h GLU 52 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1a99 h GLU 52 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1a99 h GLU 52 CO -0.02 0.27 -0.67 0.25 -1.00 0.00 0.00 179.01 177.84 1a99 n THR 53 N -3.74 0.00 -0.98 1.13 -2.24 -0.60 -5.00 114.28 102.86 1a99 n THR 53 Ca -0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1a99 n THR 53 Cb 0.37 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 1.75 0.38 3.72 3.38 0.00 0.24 -4.99 105.19 109.67 1a99 n GLY 54 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.85 5.01 -0.12 -0.61 1.01 -1.25 -4.67 121.20 118.72 1a99 s ILE 55 Ca 0.00 1.42 -0.22 0.00 0.00 0.00 0.00 60.65 61.86 1a99 s ILE 55 Cb 0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1a99 s ILE 55 CO 0.00 0.28 0.65 -0.75 0.00 0.00 0.00 174.94 175.12 1a99 s LYS 56 N 0.61 4.35 -0.17 2.79 2.20 0.33 -4.47 119.74 125.37 1a99 s LYS 56 Ca 0.37 0.73 -0.06 0.00 -0.36 0.00 0.00 55.97 56.65 1a99 s LYS 56 Cb -0.18 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 1a99 s LYS 56 CO 0.18 -0.03 0.03 0.08 -0.36 0.00 0.00 175.35 175.25 1a99 s VAL 57 N 1.18 4.51 -0.36 4.02 1.01 -1.26 -1.19 120.40 128.30 1a99 s VAL 57 Ca 0.33 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.09 1a99 s VAL 57 Cb -0.17 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.25 1a99 s VAL 57 CO 0.14 0.48 0.16 -0.69 0.00 0.00 0.00 175.10 175.19 1a99 s VAL 58 N 0.32 4.03 -0.27 2.92 1.01 0.12 -4.95 120.40 123.58 1a99 s VAL 58 Ca 0.01 -1.15 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 1a99 s VAL 58 Cb -0.13 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1a99 s VAL 58 CO 0.01 -0.27 0.07 -0.47 0.00 0.00 0.00 175.10 174.43 1a99 s TYR 59 N 1.43 3.10 0.13 5.22 5.04 -1.26 -0.71 117.35 130.29 1a99 s TYR 59 Ca 0.00 -0.70 0.11 0.00 -2.44 0.00 0.00 57.07 54.04 1a99 s TYR 59 Cb -0.20 -2.24 -0.04 0.00 0.35 0.00 0.00 41.96 39.83 1a99 s TYR 59 CO 0.03 -0.47 -0.25 0.34 -1.34 0.00 0.00 175.55 173.86 1a99 s ASP 60 N 1.56 3.44 0.26 4.32 2.15 0.46 -4.99 116.67 123.87 1a99 s ASP 60 Ca 0.05 -0.72 0.11 0.00 0.43 0.00 0.00 52.55 52.42 1a99 s ASP 60 Cb -0.16 -0.29 -0.05 0.00 -0.30 0.00 0.00 42.92 42.13 1a99 s ASP 60 CO 0.02 0.18 -0.19 0.68 -0.17 0.00 0.00 175.17 175.69 1a99 s VAL 61 N -1.11 2.31 0.19 1.11 -7.23 -1.25 -1.22 120.40 113.20 1a99 s VAL 61 Ca 0.15 -2.35 -0.08 0.00 -1.81 0.00 0.00 61.98 57.89 1a99 s VAL 61 Cb -0.10 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 1a99 s VAL 61 CO 0.07 -0.43 0.30 0.72 -0.31 0.00 0.00 175.10 175.45 1a99 s PHE 62 N -2.57 0.52 -0.03 2.82 -0.12 -0.70 -4.87 117.98 113.04 1a99 s PHE 62 Ca 0.28 -0.86 0.05 0.00 -0.05 0.00 0.00 56.93 56.34 1a99 s PHE 62 Cb -0.04 -0.09 0.08 0.00 -0.63 0.00 0.00 43.02 42.34 1a99 s PHE 62 CO 0.13 -0.77 1.04 -0.40 -0.05 0.00 0.00 175.22 175.17 1a99 n ASP 63 N -0.26 0.48 -3.75 1.98 5.75 -1.26 -1.61 116.55 117.88 1a99 n ASP 63 Ca -0.04 -2.21 -0.14 0.00 -0.01 0.00 0.00 54.79 52.38 1a99 n ASP 63 Cb 0.63 -0.25 -0.15 0.00 -1.03 0.00 0.00 41.12 40.32 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 -1.40 -0.06 0.42 -1.12 0.15 -1.26 -4.78 113.70 105.65 1a99 s SER 64 Ca 0.08 0.23 0.13 0.00 0.70 0.00 0.00 55.95 57.08 1a99 s SER 64 Cb 0.07 0.12 0.90 0.00 -1.71 0.00 0.00 66.02 65.39 1a99 s SER 64 CO -0.00 -0.14 1.94 0.78 1.20 0.00 0.00 173.24 177.02 1a99 h ASN 65 N 7.26 0.06 -0.45 5.45 2.35 -1.97 -2.84 115.58 125.44 1a99 h ASN 65 Ca -0.44 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.18 1a99 h ASN 65 Cb 1.13 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 1a99 h ASN 65 CO 0.44 0.27 -0.17 -0.33 -1.65 0.00 0.00 177.43 175.99 1a99 h GLU 66 N 0.06 0.92 -0.40 0.81 3.07 -1.96 -0.35 114.58 116.73 1a99 h GLU 66 Ca 0.01 -0.38 -0.01 0.00 -0.50 0.00 0.00 59.36 58.48 1a99 h GLU 66 Cb 0.39 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 1a99 h GLU 66 CO 0.03 1.03 0.21 0.28 -1.40 0.00 0.00 179.01 179.17 1a99 h VAL 67 N 0.76 1.16 0.14 3.13 2.07 -1.93 -1.19 116.25 120.39 1a99 h VAL 67 Ca 0.11 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1a99 h VAL 67 Cb 0.73 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1a99 h VAL 67 CO 0.06 0.16 -0.07 0.25 0.02 0.00 0.00 177.57 177.99 1a99 h LEU 68 N 0.52 -0.16 -1.16 2.57 6.46 -1.34 -2.41 115.31 119.79 1a99 h LEU 68 Ca 0.14 -0.07 0.13 0.00 -0.12 0.00 0.00 57.88 57.96 1a99 h LEU 68 Cb 0.07 0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 39.97 1a99 h LEU 68 CO -0.02 -0.04 0.60 -0.08 -0.62 0.00 0.00 178.44 178.28 1a99 h GLU 69 N -0.28 0.81 -0.14 1.25 4.81 -0.97 -0.41 114.58 119.65 1a99 h GLU 69 Ca -0.02 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1a99 h GLU 69 Cb 0.22 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1a99 h GLU 69 CO 0.03 0.54 0.08 0.78 -0.73 0.00 0.00 179.01 179.71 1a99 h GLY 70 N 0.84 0.21 0.99 1.92 0.00 -0.87 -0.25 103.07 105.91 1a99 h GLY 70 Ca 0.46 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 1a99 h GLY 70 CO -0.23 0.09 0.25 0.50 0.00 0.00 0.00 176.54 177.16 1a99 h LYS 71 N 0.14 0.82 -0.84 4.80 1.57 -0.87 -1.52 116.57 120.67 1a99 h LYS 71 Ca 0.05 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1a99 h LYS 71 Cb 0.06 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1a99 h LYS 71 CO -0.01 0.69 0.47 -0.07 -0.57 0.00 0.00 179.45 179.96 1a99 h LEU 72 N 0.77 1.05 -0.52 2.94 3.38 -0.87 -1.99 115.31 120.06 1a99 h LEU 72 Ca 0.19 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1a99 h LEU 72 Cb 0.15 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1a99 h LEU 72 CO -0.02 0.84 -0.69 0.24 0.09 0.00 0.00 178.44 178.89 1a99 h MET 73 N 1.17 0.00 0.00 1.13 2.86 -0.88 -2.78 114.93 116.43 1a99 h MET 73 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1a99 h MET 73 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1a99 h MET 73 CO -0.05 0.69 0.00 0.00 1.06 0.00 0.00 176.91 178.61 1a99 n ALA 74 N -2.38 2.18 0.00 6.32 0.00 -0.59 -5.03 120.51 121.01 1a99 n ALA 74 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1a99 n ALA 74 Cb 0.70 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1a99 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a99 n GLY 75 N 1.10 -1.58 3.96 0.00 0.00 -0.77 -4.99 105.19 102.90 1a99 n GLY 75 Ca 0.05 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.21 -4.46 0.24 1.61 7.64 -1.26 -4.86 113.62 110.31 1a99 n SER 76 Ca 0.00 -1.18 0.12 0.00 1.01 0.00 0.00 58.87 58.82 1a99 n SER 76 Cb 0.00 -1.82 0.47 0.00 -1.01 0.00 0.00 64.21 61.85 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 -1.94 0.30 -0.18 0.44 1.35 -1.93 -3.47 112.91 107.48 1a99 h THR 77 Ca -0.68 -0.95 -0.07 0.00 -0.55 0.00 0.00 66.41 64.16 1a99 h THR 77 Cb 1.40 1.75 -0.03 0.00 -1.73 0.00 0.00 68.15 69.54 1a99 h THR 77 CO 0.47 0.13 -0.06 0.61 -0.25 0.00 0.00 175.52 176.42 1a99 n GLY 78 N 0.30 0.61 3.54 5.82 0.00 -1.26 -5.04 105.19 109.17 1a99 n GLY 78 Ca 0.01 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.13 2.66 -0.16 1.61 0.08 -1.26 -4.83 117.98 113.95 1a99 s PHE 79 Ca 0.00 -0.20 0.17 0.00 0.12 0.00 0.00 56.93 57.02 1a99 s PHE 79 Cb 0.00 -1.40 -0.25 0.00 -0.57 0.00 0.00 43.02 40.81 1a99 s PHE 79 CO 0.00 0.41 0.22 -0.25 -0.10 0.00 0.00 175.22 175.51 1a99 n ASP 80 N 0.73 0.20 -3.89 1.36 8.00 -0.23 -4.42 116.55 118.29 1a99 n ASP 80 Ca -0.14 0.09 -0.13 0.00 0.71 0.00 0.00 54.79 55.32 1a99 n ASP 80 Cb 0.52 0.80 -0.14 0.00 -0.02 0.00 0.00 41.12 42.28 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 -5.58 1.96 0.07 0.64 1.43 -1.07 -3.97 118.68 112.16 1a99 s LEU 81 Ca -0.09 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1a99 s LEU 81 Cb 0.07 -0.07 -0.04 0.00 0.03 0.00 0.00 46.19 46.18 1a99 s LEU 81 CO 0.83 0.01 -0.06 0.68 0.23 0.00 0.00 176.35 178.04 1a99 s VAL 82 N 0.02 0.57 -0.63 -1.59 -7.23 -0.87 -1.12 120.40 109.54 1a99 s VAL 82 Ca 0.00 -1.67 0.05 0.00 -1.81 0.00 0.00 61.98 58.56 1a99 s VAL 82 Cb -0.01 -1.34 0.20 0.00 0.56 0.00 0.00 36.38 35.79 1a99 s VAL 82 CO -0.00 -0.76 0.57 0.52 -0.31 0.00 0.00 175.10 175.12 1a99 n VAL 83 N 0.41 1.39 -2.00 1.32 0.31 -0.95 -1.21 118.33 117.60 1a99 n VAL 83 Ca -0.15 -4.77 -0.29 0.00 -0.01 0.00 0.00 64.34 59.12 1a99 n VAL 83 Cb 0.59 -2.08 0.04 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 -1.62 2.95 0.56 5.55 0.04 -1.17 -4.64 135.00 136.67 1a99 s PRO 84 Ca 0.32 0.39 -0.15 0.00 0.04 0.00 0.00 61.00 61.60 1a99 s PRO 84 Cb 0.05 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 1a99 s PRO 84 CO -0.12 -0.91 1.01 -1.12 0.04 0.00 0.00 177.00 175.90 1a99 s SER 85 N -4.33 6.37 0.25 6.66 0.01 -1.26 -1.41 113.70 119.99 1a99 s SER 85 Ca 0.57 1.56 -0.05 0.00 1.31 0.00 0.00 55.95 59.34 1a99 s SER 85 Cb -0.11 -2.50 0.34 0.00 0.21 0.00 0.00 66.02 63.96 1a99 s SER 85 CO 0.51 -0.77 1.88 0.00 0.41 0.00 0.00 173.24 175.27 1a99 h ALA 86 N 0.45 1.27 -0.87 1.44 0.00 -1.07 -1.67 119.26 118.82 1a99 h ALA 86 Ca -0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1a99 h ALA 86 Cb 1.19 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1a99 h ALA 86 CO 0.61 0.42 0.48 0.66 0.00 0.00 0.00 179.25 181.42 1a99 h SER 87 N 1.13 1.08 1.01 0.00 4.64 -1.88 -1.09 113.55 118.45 1a99 h SER 87 Ca 0.39 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.53 1a99 h SER 87 Cb 0.09 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 1a99 h SER 87 CO -0.15 0.86 -0.43 -0.26 -0.87 0.00 0.00 176.83 175.98 1a99 h PHE 88 N 1.22 0.00 -0.43 4.77 -1.00 -1.86 -3.09 116.94 116.54 1a99 h PHE 88 Ca 0.31 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.04 1a99 h PHE 88 Cb 0.02 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 1a99 h PHE 88 CO 0.01 0.43 0.07 1.25 -1.61 0.00 0.00 178.31 178.46 1a99 h LEU 89 N 0.00 0.69 -0.88 1.54 7.12 -0.33 -1.48 115.31 121.97 1a99 h LEU 89 Ca -0.00 -0.26 0.12 0.00 0.13 0.00 0.00 57.88 57.87 1a99 h LEU 89 Cb 1.06 -0.18 -0.08 0.00 -0.53 0.00 0.00 40.66 40.92 1a99 h LEU 89 CO 0.06 0.77 0.50 -0.08 -0.13 0.00 0.00 178.44 179.56 1a99 h GLU 90 N 0.58 0.75 -0.16 1.25 4.81 -1.16 0.42 114.58 121.06 1a99 h GLU 90 Ca 0.13 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1a99 h GLU 90 Cb 0.37 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1a99 h GLU 90 CO 0.01 0.50 -0.20 -0.09 -0.73 0.00 0.00 179.01 178.49 1a99 h ARG 91 N 0.77 0.43 -0.03 1.92 2.43 -1.54 -3.20 114.38 115.16 1a99 h ARG 91 Ca 0.45 -0.24 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 1a99 h ARG 91 Cb 0.52 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1a99 h ARG 91 CO -0.30 0.82 -0.32 1.96 -1.51 0.00 0.00 179.97 180.62 1a99 h GLN 92 N 0.07 0.06 0.00 0.20 4.20 -0.50 -2.80 115.11 116.33 1a99 h GLN 92 Ca 0.02 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1a99 h GLN 92 Cb 0.76 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 1a99 h GLN 92 CO 0.05 0.37 -0.07 1.37 -0.67 0.00 0.00 178.83 179.88 1a99 h LEU 93 N 0.05 0.00 -1.44 1.46 8.10 -0.97 -2.41 115.31 120.10 1a99 h LEU 93 Ca 0.01 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.94 1a99 h LEU 93 Cb 0.59 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.80 1a99 h LEU 93 CO 0.04 0.07 -0.26 0.74 -4.11 0.00 0.00 178.44 174.93 1a99 h THR 94 N 0.00 0.86 -0.00 0.15 2.02 -1.49 -0.02 112.91 114.42 1a99 h THR 94 Ca -0.00 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1a99 h THR 94 Cb 0.87 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1a99 h THR 94 CO 0.01 0.25 0.00 0.00 0.37 0.00 0.00 175.52 176.15 1a99 n ALA 95 N -2.34 2.67 -2.69 6.16 0.00 -0.92 -4.91 120.51 118.48 1a99 n ALA 95 Ca -0.01 -0.23 -0.16 0.00 0.00 0.00 0.00 53.44 53.04 1a99 n ALA 95 Cb 0.36 -1.47 0.02 0.00 0.00 0.00 0.00 19.45 18.36 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 1.02 -0.19 0.14 0.00 0.00 -0.02 -4.94 105.19 101.20 1a99 n GLY 96 Ca 0.23 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.79 1.04 -2.28 1.61 2.07 -1.74 -3.46 116.25 112.70 1a99 h VAL 97 Ca -0.37 -2.22 -0.57 0.00 0.82 0.00 0.00 66.70 64.36 1a99 h VAL 97 Cb 1.26 2.34 -0.11 0.00 -1.52 0.00 0.00 31.29 33.26 1a99 h VAL 97 CO 0.41 0.54 -0.67 -0.36 0.02 0.00 0.00 177.57 177.51 1a99 s PHE 98 N -3.14 2.63 0.03 1.57 0.08 -1.26 -0.61 117.98 117.28 1a99 s PHE 98 Ca 0.02 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 56.85 1a99 s PHE 98 Cb 0.09 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 1a99 s PHE 98 CO 0.74 0.63 0.07 1.14 -0.10 0.00 0.00 175.22 177.69 1a99 s GLN 99 N -3.56 2.94 0.65 0.44 -2.07 -0.60 -4.55 119.66 112.90 1a99 s GLN 99 Ca 0.31 -0.60 -0.17 0.00 -1.82 0.00 0.00 55.36 53.08 1a99 s GLN 99 Cb -0.06 -2.77 -0.01 0.00 -1.09 0.00 0.00 33.01 29.08 1a99 s GLN 99 CO 0.19 0.61 1.18 -1.25 -1.32 0.00 0.00 175.29 174.69 1a99 s PRO 100 N -2.01 2.69 -0.08 9.60 0.04 -1.26 -4.57 135.00 139.41 1a99 s PRO 100 Ca 0.25 1.70 -0.23 0.00 0.04 0.00 0.00 61.00 62.76 1a99 s PRO 100 Cb -0.12 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1a99 s PRO 100 CO 0.17 -1.40 0.70 -0.51 0.04 0.00 0.00 177.00 176.01 1a99 s LEU 101 N -4.57 4.30 -0.79 -3.56 1.43 0.23 -4.98 118.68 110.74 1a99 s LEU 101 Ca 0.74 1.18 -0.26 0.00 -1.03 0.00 0.00 54.13 54.76 1a99 s LEU 101 Cb -0.27 -3.08 0.04 0.00 0.03 0.00 0.00 46.19 42.90 1a99 s LEU 101 CO 0.38 -0.14 1.28 -0.62 0.23 0.00 0.00 176.35 177.49 1a99 s ASP 102 N 0.83 6.23 0.16 2.29 -1.08 -1.26 -4.87 116.67 118.96 1a99 s ASP 102 Ca 0.37 -0.69 0.20 0.00 -0.52 0.00 0.00 52.55 51.91 1a99 s ASP 102 Cb -0.18 -2.55 0.83 0.00 -1.46 0.00 0.00 42.92 39.57 1a99 s ASP 102 CO 0.18 -1.74 1.60 0.29 0.52 0.00 0.00 175.17 176.02 1a99 n LYS 103 N 9.12 0.12 0.10 4.34 5.02 -1.26 -1.30 118.16 134.29 1a99 n LYS 103 Ca 0.08 0.37 0.12 0.00 -2.02 0.00 0.00 58.31 56.86 1a99 n LYS 103 Cb 0.49 -1.73 0.45 0.00 -0.02 0.00 0.00 35.03 34.22 1a99 n LYS 103 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1a99 n SER 104 N -1.96 0.57 -0.85 4.39 3.41 -1.26 -1.75 113.62 116.17 1a99 n SER 104 Ca 0.02 0.61 0.09 0.00 -0.26 0.00 0.00 58.87 59.33 1a99 n SER 104 Cb 0.19 -0.74 0.24 0.00 -0.26 0.00 0.00 64.21 63.64 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 -2.10 2.08 -3.41 4.33 5.02 -0.42 -4.49 118.16 119.17 1a99 n LYS 105 Ca 0.03 -1.67 -0.26 0.00 -2.02 0.00 0.00 58.31 54.39 1a99 n LYS 105 Cb 0.28 -1.39 -0.09 0.00 -0.02 0.00 0.00 35.03 33.80 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 0.86 0.54 -0.35 -0.35 4.77 -0.72 -4.92 117.00 116.84 1a99 n LEU 106 Ca 0.16 -4.67 0.16 0.00 -0.03 0.00 0.00 56.01 51.64 1a99 n LEU 106 Cb 0.41 0.29 0.37 0.00 -2.33 0.00 0.00 43.42 42.16 1a99 n LEU 106 CO 0.12 1.92 1.18 1.55 -1.33 0.00 0.00 177.39 180.83 1a99 h PRO 107 N 5.03 0.63 -0.41 3.23 0.13 -1.79 -2.09 132.00 136.74 1a99 h PRO 107 Ca 0.19 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1a99 h PRO 107 Cb 0.86 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1a99 h PRO 107 CO 0.48 0.42 0.00 0.39 -0.23 0.00 0.00 178.00 179.06 1a99 n GLU 108 N -4.82 1.51 -0.16 0.86 -0.58 -1.26 -4.29 120.64 111.90 1a99 n GLU 108 Ca 0.25 -0.58 0.22 0.00 -0.42 0.00 0.00 57.16 56.63 1a99 n GLU 108 Cb 0.68 -1.30 0.62 0.00 -0.57 0.00 0.00 31.44 30.86 1a99 n GLU 108 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 1a99 h TRP 109 N 0.87 0.25 0.00 -0.32 2.91 -1.74 0.47 115.95 118.39 1a99 h TRP 109 Ca 0.00 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.03 1a99 h TRP 109 Cb 0.41 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.98 1a99 h TRP 109 CO 0.14 0.07 0.00 1.63 -1.03 0.00 0.00 178.44 179.26 1a99 n LYS 110 N -4.40 0.15 0.15 2.65 4.76 -1.26 -1.95 118.16 118.26 1a99 n LYS 110 Ca 0.16 0.16 0.02 0.00 -2.87 0.00 0.00 58.31 55.78 1a99 n LYS 110 Cb 0.74 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 32.63 1a99 n LYS 110 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1a99 h ASN 111 N 0.00 0.00 -3.20 4.39 2.35 -1.25 -3.46 115.58 114.41 1a99 h ASN 111 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1a99 h ASN 111 Cb 0.06 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.49 1a99 h ASN 111 CO 0.00 0.53 0.84 -0.76 -1.65 0.00 0.00 177.43 176.39 1a99 s LEU 112 N -7.08 4.37 0.11 1.61 1.43 -0.82 0.21 118.68 118.51 1a99 s LEU 112 Ca 0.00 2.75 -0.34 0.00 -1.03 0.00 0.00 54.13 55.52 1a99 s LEU 112 Cb 0.11 -3.62 -0.13 0.00 0.03 0.00 0.00 46.19 42.58 1a99 s LEU 112 CO 0.73 -0.81 1.67 -0.67 0.23 0.00 0.00 176.35 177.50 1a99 n ASP 113 N 2.74 3.28 0.11 2.29 -0.08 0.14 -4.63 116.55 120.41 1a99 n ASP 113 Ca 0.09 1.05 -0.00 0.00 -1.51 0.00 0.00 54.79 54.42 1a99 n ASP 113 Cb 0.39 -1.43 0.28 0.00 2.34 0.00 0.00 41.12 42.69 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 6.86 0.20 -0.24 -0.67 0.13 -1.91 -2.54 132.00 133.83 1a99 h PRO 114 Ca -0.46 -0.08 -0.14 0.00 -0.87 0.00 0.00 66.00 64.45 1a99 h PRO 114 Cb 1.25 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1a99 h PRO 114 CO 0.91 0.53 -0.42 1.05 -0.23 0.00 0.00 178.00 179.83 1a99 h GLU 115 N 0.18 0.58 0.00 0.86 4.11 -1.99 -1.93 114.58 116.39 1a99 h GLU 115 Ca 0.02 -0.30 -0.10 0.00 0.07 0.00 0.00 59.36 59.05 1a99 h GLU 115 Cb 0.70 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1a99 h GLU 115 CO 0.05 0.90 -0.46 -0.07 0.07 0.00 0.00 179.01 179.50 1a99 h LEU 116 N 0.47 0.00 -0.69 3.06 3.38 -1.91 -2.34 115.31 117.29 1a99 h LEU 116 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1a99 h LEU 116 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1a99 h LEU 116 CO 0.08 0.46 -0.47 -0.07 0.09 0.00 0.00 178.44 178.53 1a99 h LEU 117 N 0.00 0.49 -0.49 1.67 3.38 -1.14 -2.05 115.31 117.17 1a99 h LEU 117 Ca -0.00 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1a99 h LEU 117 Cb 0.87 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1a99 h LEU 117 CO 0.06 0.89 0.00 0.11 0.09 0.00 0.00 178.44 179.59 1a99 h LYS 118 N 0.37 0.86 -0.50 1.13 1.57 -0.93 -0.56 116.57 118.51 1a99 h LYS 118 Ca 0.02 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1a99 h LYS 118 Cb 0.96 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1a99 h LYS 118 CO 0.08 0.90 0.23 -0.07 -0.57 0.00 0.00 179.45 180.02 1a99 h LEU 119 N 0.72 0.66 -1.13 2.94 3.38 -1.26 -1.99 115.31 118.62 1a99 h LEU 119 Ca 0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1a99 h LEU 119 Cb 0.51 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1a99 h LEU 119 CO 0.02 0.61 -0.13 0.58 0.09 0.00 0.00 178.44 179.62 1a99 h VAL 120 N 0.66 0.30 0.00 1.22 2.07 -1.28 -2.93 116.25 116.28 1a99 h VAL 120 Ca 0.17 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1a99 h VAL 120 Cb 0.14 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1a99 h VAL 120 CO -0.02 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.69 1a99 h ALA 121 N 1.87 1.00 0.00 1.67 0.00 -0.31 0.25 119.26 123.75 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 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1a99 h ALA 121 CO 0.02 0.00 -0.29 0.87 0.00 0.00 0.00 179.25 179.85 1a99 h LYS 122 N 0.00 0.00 0.00 0.00 1.57 -1.46 -2.06 116.57 114.62 1a99 h LYS 122 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1a99 h LYS 122 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1a99 h LYS 122 CO 0.00 0.29 -1.91 0.72 -0.57 0.00 0.00 179.45 177.98 1a99 n HIS 123 N -3.97 0.00 -3.62 -1.35 8.25 -0.59 -4.74 115.22 109.21 1a99 n HIS 123 Ca -0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 1a99 n HIS 123 Cb 0.36 -0.51 -0.12 0.00 1.12 0.00 0.00 29.99 30.84 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 -4.33 3.18 0.13 0.41 2.15 -0.02 -4.27 116.67 113.91 1a99 s ASP 124 Ca -0.07 -2.78 -0.31 0.00 0.43 0.00 0.00 52.55 49.82 1a99 s ASP 124 Cb 0.10 -0.85 -0.10 0.00 -0.30 0.00 0.00 42.92 41.77 1a99 s ASP 124 CO 0.75 -0.23 1.81 -2.16 -0.17 0.00 0.00 175.17 175.17 1a99 s PRO 125 N 0.22 4.14 -0.20 4.34 0.04 -0.79 -1.24 135.00 141.51 1a99 s PRO 125 Ca 0.22 2.58 0.00 0.00 0.04 0.00 0.00 61.00 63.84 1a99 s PRO 125 Cb -0.16 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1a99 s PRO 125 CO -0.06 -0.82 0.00 -3.47 0.04 0.00 0.00 177.00 172.69 1a99 n ASP 126 N 5.44 -4.14 -4.02 6.66 2.03 -1.26 -3.72 116.55 117.54 1a99 n ASP 126 Ca 0.17 0.05 -0.29 0.00 0.52 0.00 0.00 54.79 55.24 1a99 n ASP 126 Cb 0.38 -1.80 -0.02 0.00 -0.72 0.00 0.00 41.12 38.96 1a99 n ASP 126 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1a99 n ASN 127 N -0.15 -1.49 0.21 1.67 3.02 -0.37 -4.88 115.26 113.26 1a99 n ASN 127 Ca -0.02 -0.99 0.11 0.00 -0.03 0.00 0.00 54.58 53.66 1a99 n ASN 127 Cb 0.21 -3.06 0.15 0.00 -0.61 0.00 0.00 39.78 36.47 1a99 n ASN 127 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1a99 h LYS 128 N -1.77 0.00 0.00 3.52 1.57 -1.77 -3.39 116.57 114.73 1a99 h LYS 128 Ca -0.62 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 1a99 h LYS 128 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1a99 h LYS 128 CO 0.67 0.04 -0.59 1.19 -0.57 0.00 0.00 179.45 180.19 1a99 n PHE 129 N -3.08 0.00 -4.05 -1.35 3.01 -1.26 -0.60 117.46 110.12 1a99 n PHE 129 Ca 0.04 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.40 1a99 n PHE 129 Cb 0.55 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.91 1a99 n PHE 129 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1a99 s ALA 130 N -1.57 0.45 -0.26 4.37 0.00 -1.26 -4.36 121.76 119.12 1a99 s ALA 130 Ca 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 1a99 s ALA 130 Cb 0.00 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1a99 s ALA 130 CO 0.00 -0.19 -0.02 1.41 0.00 0.00 0.00 175.76 176.96 1a99 s MET 131 N -2.44 2.97 0.30 0.00 1.75 -0.53 -4.92 119.30 116.44 1a99 s MET 131 Ca -0.05 -0.90 -0.29 0.00 -1.25 0.00 0.00 55.69 53.20 1a99 s MET 131 Cb -0.03 -3.10 -0.13 0.00 2.84 0.00 0.00 34.83 34.40 1a99 s MET 131 CO -0.03 -0.39 1.25 -2.30 -0.65 0.00 0.00 175.02 172.89 1a99 n PRO 132 N 4.74 1.89 0.00 4.11 -0.02 -1.26 -0.71 135.00 143.75 1a99 n PRO 132 Ca -0.16 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1a99 n PRO 132 Cb 0.48 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 0.72 0.00 -4.33 6.00 9.36 -0.27 -4.68 117.16 123.96 1a99 n TYR 133 Ca 0.08 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.12 1a99 n TYR 133 Cb 0.34 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.94 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 -0.49 1.31 0.02 2.98 -1.94 -1.20 -1.77 119.30 118.20 1a99 s MET 134 Ca 0.00 -1.63 -0.15 0.00 -1.71 0.00 0.00 55.69 52.20 1a99 s MET 134 Cb 0.00 -0.80 0.02 0.00 2.01 0.00 0.00 34.83 36.06 1a99 s MET 134 CO 0.00 0.01 0.32 1.67 -0.01 0.00 0.00 175.02 177.01 1a99 s TRP 135 N -3.25 -0.15 0.00 -0.03 1.48 -0.66 -1.36 118.94 114.97 1a99 s TRP 135 Ca 0.25 0.13 0.00 0.00 -1.06 0.00 0.00 56.10 55.42 1a99 s TRP 135 Cb 0.04 0.10 0.00 0.00 -1.16 0.00 0.00 33.47 32.45 1a99 s TRP 135 CO 0.07 -0.46 0.00 0.00 -4.06 0.00 0.00 176.95 172.50 1a99 n ALA 136 N 0.89 0.00 -2.37 2.67 0.00 -1.09 -3.54 120.51 117.06 1a99 n ALA 136 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 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 -2.81 1.91 -0.33 0.00 -4.23 -1.26 -1.43 115.64 107.48 1a99 s THR 137 Ca 0.00 -2.26 -0.11 0.00 -1.18 0.00 0.00 61.69 58.14 1a99 s THR 137 Cb 0.00 -2.10 -0.01 0.00 1.34 0.00 0.00 72.50 71.73 1a99 s THR 137 CO 0.00 -0.55 0.20 -0.89 -0.54 0.00 0.00 174.62 172.84 1a99 s THR 138 N -2.87 4.88 0.00 3.99 2.01 -0.13 -1.62 115.64 121.91 1a99 s THR 138 Ca 0.24 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1a99 s THR 138 Cb -0.02 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.96 1a99 s THR 138 CO 0.09 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 1a99 n GLY 139 N 5.04 5.08 3.48 4.40 0.00 -0.07 -4.07 105.19 119.06 1a99 n GLY 139 Ca -0.13 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 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 0.46 4.16 -0.14 -0.61 1.01 -0.52 -0.96 121.20 124.59 1a99 s ILE 140 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.36 1a99 s ILE 140 Cb 0.00 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 1a99 s ILE 140 CO 0.00 0.42 0.02 -0.83 0.00 0.00 0.00 174.94 174.55 1a99 s GLY 141 N 0.94 1.85 0.02 6.18 0.00 -0.22 0.12 107.32 116.20 1a99 s GLY 141 Ca 0.02 -0.78 -0.15 0.00 0.00 0.00 0.00 44.72 43.81 1a99 s GLY 141 CO 0.02 -0.18 0.32 -2.52 0.00 0.00 0.00 173.10 170.74 1a99 s TYR 142 N -0.06 -0.16 -0.59 1.90 1.13 -0.42 -0.92 117.35 118.23 1a99 s TYR 142 Ca 0.04 0.14 -0.28 0.00 -1.41 0.00 0.00 57.07 55.57 1a99 s TYR 142 Cb -0.13 0.11 0.03 0.00 -1.10 0.00 0.00 41.96 40.87 1a99 s TYR 142 CO 0.02 -0.46 1.21 1.21 -2.51 0.00 0.00 175.55 175.02 1a99 s ASN 143 N -1.71 6.41 0.21 -0.18 3.84 0.09 -1.15 114.94 122.45 1a99 s ASN 143 Ca -0.09 0.06 -0.09 0.00 0.21 0.00 0.00 52.86 52.95 1a99 s ASN 143 Cb -0.03 -2.55 0.31 0.00 -0.55 0.00 0.00 41.25 38.43 1a99 s ASN 143 CO 0.00 -1.53 1.70 0.58 -2.79 0.00 0.00 177.10 175.06 1a99 h VAL 144 N 6.16 0.61 -0.15 -5.21 2.07 -0.79 -2.27 116.25 116.67 1a99 h VAL 144 Ca -0.25 -0.08 -0.22 0.00 0.82 0.00 0.00 66.70 66.96 1a99 h VAL 144 Cb 1.06 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1a99 h VAL 144 CO 1.20 0.05 -0.77 0.44 0.02 0.00 0.00 177.57 178.50 1a99 h ASP 145 N 0.25 0.93 -0.27 0.57 3.32 -1.92 -2.91 116.42 116.40 1a99 h ASP 145 Ca 0.33 -0.63 -0.11 0.00 0.02 0.00 0.00 57.03 56.63 1a99 h ASP 145 Cb 0.50 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1a99 h ASP 145 CO -0.43 1.42 -0.23 0.11 -1.72 0.00 0.00 179.24 178.38 1a99 h LYS 146 N 0.52 0.74 -0.59 3.56 1.57 -1.91 -1.64 116.57 118.83 1a99 h LYS 146 Ca -0.05 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 1a99 h LYS 146 Cb 1.40 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.65 1a99 h LYS 146 CO 0.16 0.91 0.07 0.28 -0.57 0.00 0.00 179.45 180.30 1a99 h VAL 147 N 0.65 1.25 0.00 0.50 2.07 -1.46 -1.35 116.25 117.91 1a99 h VAL 147 Ca 0.09 -1.00 -0.12 0.00 0.82 0.00 0.00 66.70 66.49 1a99 h VAL 147 Cb 0.74 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1a99 h VAL 147 CO 0.06 0.37 -0.56 0.11 0.02 0.00 0.00 177.57 177.57 1a99 h LYS 148 N 0.90 0.00 -0.01 1.57 1.57 -1.36 0.12 116.57 119.37 1a99 h LYS 148 Ca 0.18 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.80 1a99 h LYS 148 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1a99 h LYS 148 CO 0.01 0.56 -0.73 0.00 -0.57 0.00 0.00 179.45 178.72 1a99 h ALA 149 N 1.44 0.76 0.07 3.86 0.00 -0.90 0.34 119.26 124.82 1a99 h ALA 149 Ca -0.01 -0.65 -0.34 0.00 0.00 0.00 0.00 54.91 53.92 1a99 h ALA 149 Cb 1.10 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1a99 h ALA 149 CO 0.07 0.87 -1.87 0.28 0.00 0.00 0.00 179.25 178.61 1a99 n VAL 150 N -3.71 1.66 0.05 0.00 0.31 -0.54 -4.42 118.33 111.68 1a99 n VAL 150 Ca -0.02 -0.44 0.10 0.00 -0.01 0.00 0.00 64.34 63.97 1a99 n VAL 150 Cb 0.71 -1.81 0.21 0.00 -0.91 0.00 0.00 33.84 32.04 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 -3.80 3.31 0.00 7.52 4.77 0.42 -5.01 117.00 124.21 1a99 n LEU 151 Ca -0.35 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 53.95 1a99 n LEU 151 Cb 0.92 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1a99 n LEU 151 CO 0.31 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 1a99 n GLY 152 N 1.23 -1.04 0.41 -0.72 0.00 0.11 -4.11 105.19 101.06 1a99 n GLY 152 Ca 0.18 -1.64 0.22 0.00 0.00 0.00 0.00 46.02 44.78 1a99 n GLY 152 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1a99 h GLU 153 N 0.00 0.12 -0.70 1.61 4.81 -1.92 -2.53 114.58 115.96 1a99 h GLU 153 Ca 0.00 -0.01 -0.45 0.00 -0.13 0.00 0.00 59.36 58.77 1a99 h GLU 153 Cb 0.00 -0.03 -0.27 0.00 0.63 0.00 0.00 28.75 29.08 1a99 h GLU 153 CO 0.00 0.08 0.04 0.27 -0.73 0.00 0.00 179.01 178.67 1a99 n ASN 154 N -4.38 4.71 -4.62 1.04 6.94 -1.26 -5.03 115.26 112.66 1a99 n ASN 154 Ca 0.14 -3.77 -0.43 0.00 -0.02 0.00 0.00 54.58 50.51 1a99 n ASN 154 Cb 0.72 -0.67 -0.01 0.00 -2.36 0.00 0.00 39.78 37.46 1a99 n ASN 154 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1a99 n ALA 155 N -0.96 0.23 -0.51 -2.53 0.00 -0.95 -4.76 120.51 111.03 1a99 n ALA 155 Ca 0.47 0.33 -0.07 0.00 0.00 0.00 0.00 53.44 54.17 1a99 n ALA 155 Cb 0.98 -2.09 -0.08 0.00 0.00 0.00 0.00 19.45 18.26 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 0.51 1.08 0.26 0.00 -0.04 -1.26 -4.68 135.00 130.87 1a99 n PRO 156 Ca 0.08 -0.59 0.18 0.00 -0.04 0.00 0.00 63.50 63.14 1a99 n PRO 156 Cb 0.35 -1.82 0.91 0.00 -0.04 0.00 0.00 33.50 32.90 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 2.63 0.28 -0.59 0.52 2.07 -1.99 -1.80 116.25 117.36 1a99 h VAL 157 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1a99 h VAL 157 Cb 0.67 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1a99 h VAL 157 CO 0.49 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 177.18 1a99 n ASP 158 N -3.47 4.93 -4.02 0.57 5.75 -1.26 -4.84 116.55 114.21 1a99 n ASP 158 Ca 0.00 -2.61 -0.08 0.00 -0.01 0.00 0.00 54.79 52.09 1a99 n ASP 158 Cb 0.29 -0.61 -0.10 0.00 -1.03 0.00 0.00 41.12 39.67 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 -0.81 0.35 0.03 -1.12 0.15 -0.68 -0.83 113.70 110.80 1a99 s SER 159 Ca 0.50 -0.77 0.13 0.00 0.70 0.00 0.00 55.95 56.51 1a99 s SER 159 Cb 0.35 0.18 0.56 0.00 -1.71 0.00 0.00 66.02 65.39 1a99 s SER 159 CO 0.20 -0.50 1.41 0.79 1.20 0.00 0.00 173.24 176.35 1a99 n TRP 160 N 0.66 0.09 0.20 3.44 7.02 -1.26 -2.31 117.44 125.27 1a99 n TRP 160 Ca -0.18 0.04 0.12 0.00 -1.02 0.00 0.00 57.50 56.46 1a99 n TRP 160 Cb 0.59 -0.56 0.68 0.00 -2.42 0.00 0.00 31.31 29.60 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 0.00 -0.63 -0.99 3.32 -1.93 0.27 116.42 116.45 1a99 h ASP 161 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1a99 h ASP 161 Cb 0.21 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1a99 h ASP 161 CO 0.00 0.00 0.42 0.25 -1.72 0.00 0.00 179.24 178.19 1a99 h LEU 162 N 0.00 0.66 0.00 1.55 5.85 -1.59 -3.02 115.31 118.76 1a99 h LEU 162 Ca 0.07 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1a99 h LEU 162 Cb 0.27 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1a99 h LEU 162 CO -0.00 0.46 -0.19 0.00 -0.34 0.00 0.00 178.44 178.37 1a99 n ILE 163 N -4.46 0.00 0.21 4.05 3.06 -0.79 -4.30 119.36 117.13 1a99 n ILE 163 Ca 0.07 -0.38 0.06 0.00 -2.50 0.00 0.00 62.75 60.01 1a99 n ILE 163 Cb 0.11 0.89 0.10 0.00 0.54 0.00 0.00 39.64 41.28 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 -1.05 2.48 -4.47 9.51 4.77 0.87 -4.77 117.00 124.34 1a99 n LEU 164 Ca 0.00 -1.43 -0.39 0.00 -0.03 0.00 0.00 56.01 54.16 1a99 n LEU 164 Cb 0.00 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 40.86 1a99 n LEU 164 CO 0.00 0.54 -0.18 -0.75 -1.33 0.00 0.00 177.39 175.67 1a99 s LYS 165 N -1.03 3.39 0.47 3.23 2.20 -1.14 -4.97 119.74 121.90 1a99 s LYS 165 Ca 0.20 -0.69 0.25 0.00 -0.36 0.00 0.00 55.97 55.37 1a99 s LYS 165 Cb 0.12 -3.63 1.29 0.00 -1.51 0.00 0.00 37.83 34.10 1a99 s LYS 165 CO 0.17 -0.42 1.85 -1.35 -0.36 0.00 0.00 175.35 175.24 1a99 h PRO 166 N 8.39 0.20 -0.80 4.03 0.11 -1.89 -1.05 132.00 140.98 1a99 h PRO 166 Ca -0.32 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.83 1a99 h PRO 166 Cb 1.15 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 1a99 h PRO 166 CO 0.62 0.13 0.49 0.93 -0.21 0.00 0.00 178.00 179.96 1a99 h GLU 167 N 0.21 0.89 0.06 1.05 4.39 -1.94 -1.39 114.58 117.84 1a99 h GLU 167 Ca 0.49 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 60.03 1a99 h GLU 167 Cb 1.55 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 30.01 1a99 h GLU 167 CO -0.12 0.59 -0.44 -0.91 -1.16 0.00 0.00 179.01 176.97 1a99 h ASN 168 N 0.92 0.29 -0.04 1.42 2.35 -1.51 -3.29 115.58 115.72 1a99 h ASN 168 Ca 0.34 -0.90 0.01 0.00 -0.55 0.00 0.00 56.30 55.20 1a99 h ASN 168 Cb 0.13 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1a99 h ASN 168 CO -0.16 1.17 0.04 0.25 -1.65 0.00 0.00 177.43 177.08 1a99 h LEU 169 N -0.54 0.00 -0.45 1.61 5.85 -1.28 -1.25 115.31 119.26 1a99 h LEU 169 Ca -0.07 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.52 1a99 h LEU 169 Cb 1.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1a99 h LEU 169 CO 0.08 0.00 -0.23 -0.08 -0.34 0.00 0.00 178.44 177.88 1a99 h GLU 170 N 0.00 0.94 -0.09 1.25 4.81 -1.34 -0.34 114.58 119.81 1a99 h GLU 170 Ca 0.02 -0.42 -0.14 0.00 -0.13 0.00 0.00 59.36 58.69 1a99 h GLU 170 Cb 0.09 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1a99 h GLU 170 CO -0.00 1.08 -0.57 0.87 -0.73 0.00 0.00 179.01 179.66 1a99 h LYS 171 N 0.78 0.29 0.00 1.92 1.57 -1.33 -3.14 116.57 116.66 1a99 h LYS 171 Ca 0.10 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1a99 h LYS 171 Cb 0.80 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1a99 h LYS 171 CO 0.07 0.78 -0.24 -0.07 -0.57 0.00 0.00 179.45 179.42 1a99 h LEU 172 N 0.22 0.00 -1.07 2.94 3.38 -1.23 -3.35 115.31 116.20 1a99 h LEU 172 Ca -0.00 -0.07 0.26 0.00 0.09 0.00 0.00 57.88 58.17 1a99 h LEU 172 Cb 1.07 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.69 1a99 h LEU 172 CO 0.09 0.03 0.61 0.50 0.09 0.00 0.00 178.44 179.76 1a99 h LYS 173 N 0.00 0.49 -0.16 1.13 3.64 -1.00 -2.22 116.57 118.45 1a99 h LYS 173 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1a99 h LYS 173 Cb 0.79 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1a99 h LYS 173 CO 0.00 0.33 0.10 0.66 -2.27 0.00 0.00 179.45 178.27 1a99 h SER 174 N 0.51 0.19 -0.03 4.20 4.64 -1.79 -2.88 113.55 118.39 1a99 h SER 174 Ca 0.65 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 1a99 h SER 174 Cb 1.36 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1a99 h SER 174 CO -0.46 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 175.65 1a99 n GLY 176 N 0.91 1.32 3.12 0.00 0.00 -1.09 -1.63 105.19 107.82 1a99 n GLY 176 Ca 0.16 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.01 1.32 0.02 1.61 1.01 -1.26 -1.10 120.40 121.99 1a99 s VAL 177 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1a99 s VAL 177 Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1a99 s VAL 177 CO 0.00 0.38 -0.13 -0.55 0.00 0.00 0.00 175.10 174.80 1a99 s SER 178 N -0.08 1.52 -0.00 3.32 0.15 -0.84 -1.13 113.70 116.64 1a99 s SER 178 Ca -0.00 -0.36 0.06 0.00 0.70 0.00 0.00 55.95 56.35 1a99 s SER 178 Cb -0.09 -0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.08 1a99 s SER 178 CO 0.01 0.07 -0.20 -0.36 1.20 0.00 0.00 173.24 173.97 1a99 s PHE 179 N -0.63 1.74 0.40 3.44 0.40 -0.71 -1.36 117.98 121.25 1a99 s PHE 179 Ca 0.02 -0.34 -0.27 0.00 -0.60 0.00 0.00 56.93 55.75 1a99 s PHE 179 Cb -0.07 -1.10 -0.09 0.00 0.51 0.00 0.00 43.02 42.27 1a99 s PHE 179 CO 0.00 -0.00 1.38 -0.51 0.70 0.00 0.00 175.22 176.79 1a99 s LEU 180 N -0.63 4.25 -1.25 -0.37 1.43 -1.22 -0.72 118.68 120.18 1a99 s LEU 180 Ca 0.07 2.82 -0.06 0.00 -1.03 0.00 0.00 54.13 55.93 1a99 s LEU 180 Cb -0.08 -3.81 0.06 0.00 0.03 0.00 0.00 46.19 42.39 1a99 s LEU 180 CO -0.00 -0.88 2.59 -0.67 0.23 0.00 0.00 176.35 177.62 1a99 n ASP 181 N 0.25 7.94 -3.80 2.29 2.03 -1.26 -4.69 116.55 119.31 1a99 n ASP 181 Ca 0.03 -3.01 -0.30 0.00 0.52 0.00 0.00 54.79 52.03 1a99 n ASP 181 Cb 0.42 -1.39 -0.14 0.00 -0.72 0.00 0.00 41.12 39.29 1a99 n ASP 181 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a99 s ALA 182 N -0.49 2.45 0.11 -1.67 0.00 -1.26 -4.88 121.76 116.02 1a99 s ALA 182 Ca 0.58 -2.67 -0.30 0.00 0.00 0.00 0.00 51.96 49.57 1a99 s ALA 182 Cb 0.21 -1.94 -0.11 0.00 0.00 0.00 0.00 23.12 21.28 1a99 s ALA 182 CO -0.10 -1.98 1.49 -1.35 0.00 0.00 0.00 175.76 173.82 1a99 h PRO 183 N 6.89 -0.49 -0.34 0.00 0.11 -1.99 0.13 132.00 136.31 1a99 h PRO 183 Ca -0.04 0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.10 1a99 h PRO 183 Cb 0.93 0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1a99 h PRO 183 CO 0.54 -0.33 0.22 0.93 -0.21 0.00 0.00 178.00 179.15 1a99 h GLU 184 N -0.51 0.43 0.04 1.05 5.08 -1.96 -1.17 114.58 117.54 1a99 h GLU 184 Ca 0.03 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1a99 h GLU 184 Cb 0.60 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.77 1a99 h GLU 184 CO -0.40 0.29 -0.56 0.93 -1.00 0.00 0.00 179.01 178.26 1a99 h GLU 185 N 0.45 0.32 -0.22 2.33 5.08 -1.88 -2.65 114.58 118.01 1a99 h GLU 185 Ca 0.12 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1a99 h GLU 185 Cb -0.04 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1a99 h GLU 185 CO -0.03 1.10 0.04 0.28 -1.00 0.00 0.00 179.01 179.40 1a99 h VAL 186 N -0.29 1.22 -0.66 3.13 2.07 -0.55 -2.10 116.25 119.07 1a99 h VAL 186 Ca -0.08 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 66.74 1a99 h VAL 186 Cb 1.33 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 1a99 h VAL 186 CO 0.11 0.23 0.40 -0.26 0.02 0.00 0.00 177.57 178.06 1a99 h PHE 187 N 0.16 0.74 -0.31 1.57 0.04 -1.33 -0.50 116.94 117.31 1a99 h PHE 187 Ca 0.07 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 1a99 h PHE 187 Cb 0.31 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 1a99 h PHE 187 CO 0.02 0.40 -0.06 0.00 -0.60 0.00 0.00 178.31 178.07 1a99 h ALA 188 N 1.30 1.32 0.00 2.45 0.00 -1.36 0.33 119.26 123.30 1a99 h ALA 188 Ca 0.27 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1a99 h ALA 188 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1a99 h ALA 188 CO -0.13 0.46 -0.89 1.79 0.00 0.00 0.00 179.25 180.48 1a99 h THR 189 N 0.47 1.47 -0.14 0.00 1.35 -0.66 -2.43 112.91 112.97 1a99 h THR 189 Ca 0.10 -2.56 -0.02 0.00 -0.55 0.00 0.00 66.41 63.38 1a99 h THR 189 Cb 0.41 2.45 -0.01 0.00 -1.73 0.00 0.00 68.15 69.27 1a99 h THR 189 CO 0.02 0.75 0.02 0.58 -0.25 0.00 0.00 175.52 176.64 1a99 h VAL 190 N 0.14 1.23 -0.68 6.82 2.07 -0.71 -1.20 116.25 123.92 1a99 h VAL 190 Ca -0.05 -0.73 0.07 0.00 0.82 0.00 0.00 66.70 66.81 1a99 h VAL 190 Cb 1.52 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 32.68 1a99 h VAL 190 CO 0.14 0.21 0.37 -0.07 0.02 0.00 0.00 177.57 178.24 1a99 h LEU 191 N -0.00 0.52 -0.73 2.57 3.38 -0.96 -0.62 115.31 119.46 1a99 h LEU 191 Ca 0.04 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1a99 h LEU 191 Cb 0.31 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1a99 h LEU 191 CO 0.00 0.33 0.21 -1.13 0.09 0.00 0.00 178.44 177.94 1a99 h ASN 192 N 0.66 1.08 -0.44 -0.43 -0.73 -1.25 -0.15 115.58 114.32 1a99 h ASN 192 Ca 0.32 -0.22 -0.04 0.00 1.87 0.00 0.00 56.30 58.23 1a99 h ASN 192 Cb 0.25 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.53 1a99 h ASN 192 CO -0.21 1.02 0.14 0.22 -0.37 0.00 0.00 177.43 178.23 1a99 h TYR 193 N 1.10 0.76 0.00 0.67 3.20 -0.40 -2.02 116.97 120.27 1a99 h TYR 193 Ca 0.23 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1a99 h TYR 193 Cb 0.34 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1a99 h TYR 193 CO 0.03 0.63 0.00 1.28 -1.64 0.00 0.00 178.16 178.45 1a99 n LEU 194 N -4.31 0.00 0.00 2.82 4.77 -0.32 -4.86 117.00 115.10 1a99 n LEU 194 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1a99 n LEU 194 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1a99 n LEU 194 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1a99 n GLY 195 N 0.74 0.72 4.01 -0.72 0.00 -0.76 -5.05 105.19 104.14 1a99 n GLY 195 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.24 2.23 0.01 1.61 1.02 -0.10 -5.00 119.74 119.27 1a99 s LYS 196 Ca 0.00 -1.32 -0.30 0.00 0.02 0.00 0.00 55.97 54.37 1a99 s LYS 196 Cb 0.00 -2.55 -0.06 0.00 -0.52 0.00 0.00 37.83 34.70 1a99 s LYS 196 CO 0.00 -0.92 1.36 0.34 -0.92 0.00 0.00 175.35 175.21 1a99 s ASP 197 N -4.61 6.88 0.60 2.83 2.15 -1.26 -3.99 116.67 119.27 1a99 s ASP 197 Ca 0.61 2.10 0.31 0.00 0.43 0.00 0.00 52.55 56.00 1a99 s ASP 197 Cb -0.07 -2.56 1.85 0.00 -0.30 0.00 0.00 42.92 41.84 1a99 s ASP 197 CO 0.40 -0.68 2.25 -0.65 -0.17 0.00 0.00 175.17 176.31 1a99 h PRO 198 N 7.61 0.00 -0.83 4.34 0.11 -1.84 -1.52 132.00 139.86 1a99 h PRO 198 Ca -0.38 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.14 1a99 h PRO 198 Cb 1.18 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.90 1a99 h PRO 198 CO 0.89 0.00 -0.37 0.09 -0.21 0.00 0.00 178.00 178.40 1a99 n ASN 199 N -3.79 5.67 -4.67 -2.05 3.02 -1.26 -4.42 115.26 107.76 1a99 n ASN 199 Ca -0.03 -3.76 -0.45 0.00 -0.03 0.00 0.00 54.58 50.31 1a99 n ASN 199 Cb 0.11 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 38.74 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 -0.76 2.76 -0.68 6.41 2.88 -0.57 -4.89 113.62 118.76 1a99 n SER 200 Ca 0.49 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 59.29 1a99 n SER 200 Cb 0.88 -1.42 0.36 0.00 -0.75 0.00 0.00 64.21 63.28 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 2.15 0.08 -3.14 2.46 -2.24 -1.26 -4.86 114.28 107.47 1a99 n THR 201 Ca 0.13 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 1a99 n THR 201 Cb 0.31 0.79 -0.07 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.92 3.51 0.42 -0.78 1.02 -1.26 -4.93 119.74 115.79 1a99 s LYS 202 Ca 0.34 -0.16 0.21 0.00 0.02 0.00 0.00 55.97 56.38 1a99 s LYS 202 Cb 0.20 -3.86 1.16 0.00 -0.52 0.00 0.00 37.83 34.81 1a99 s LYS 202 CO 0.31 -0.82 1.78 0.00 -0.92 0.00 0.00 175.35 175.69 1a99 h ALA 203 N 8.62 2.34 0.00 5.17 0.00 -1.98 -1.67 119.26 131.74 1a99 h ALA 203 Ca -0.26 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1a99 h ALA 203 Cb 1.11 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1a99 h ALA 203 CO 0.84 -0.74 -0.18 -0.44 0.00 0.00 0.00 179.25 178.73 1a99 h ASP 204 N 0.34 0.00 -0.12 0.00 5.19 -1.97 -2.14 116.42 117.72 1a99 h ASP 204 Ca 0.59 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.93 1a99 h ASP 204 Cb 1.60 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.09 1a99 h ASP 204 CO -0.26 0.18 -0.12 0.44 -3.12 0.00 0.00 179.24 176.37 1a99 h ASP 205 N 0.00 0.45 0.07 6.45 3.32 -1.69 0.61 116.42 125.62 1a99 h ASP 205 Ca -0.00 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1a99 h ASP 205 Cb 0.45 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1a99 h ASP 205 CO 0.02 0.60 -0.04 1.88 -1.72 0.00 0.00 179.24 179.99 1a99 h TYR 206 N 0.43 -0.09 0.00 4.55 -1.99 -1.51 -2.15 116.97 116.21 1a99 h TYR 206 Ca 0.08 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.75 1a99 h TYR 206 Cb 0.47 0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 1a99 h TYR 206 CO 0.01 0.07 -0.27 1.79 -0.00 0.00 0.00 178.16 179.77 1a99 h THR 207 N -1.02 0.84 0.00 -2.88 1.35 -1.54 -1.38 112.91 108.28 1a99 h THR 207 Ca -0.01 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 1a99 h THR 207 Cb 0.20 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1a99 h THR 207 CO 0.02 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 1a99 n GLY 208 N -0.29 1.49 0.22 5.82 0.00 0.21 -4.49 105.19 108.15 1a99 n GLY 208 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1a99 n GLY 208 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a99 h PRO 209 N 0.00 0.02 0.11 1.61 0.11 -1.68 -1.94 132.00 130.23 1a99 h PRO 209 Ca 0.00 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.12 1a99 h PRO 209 Cb 0.00 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 1a99 h PRO 209 CO 0.00 0.01 -0.50 0.00 -0.21 0.00 0.00 178.00 177.30 1a99 h ALA 210 N 1.55 -0.92 -0.04 -0.75 0.00 -1.50 -1.22 119.26 116.38 1a99 h ALA 210 Ca 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1a99 h ALA 210 Cb 0.42 0.85 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1a99 h ALA 210 CO -0.55 -1.09 -0.06 1.15 0.00 0.00 0.00 179.25 178.70 1a99 h THR 211 N -0.73 1.07 0.50 0.00 2.02 -1.04 -2.29 112.91 112.44 1a99 h THR 211 Ca 0.00 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 1a99 h THR 211 Cb 0.74 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1a99 h THR 211 CO -0.28 0.09 -0.24 0.44 0.37 0.00 0.00 175.52 175.90 1a99 h ASP 212 N 0.06 -0.57 -0.24 4.18 3.32 -0.55 -0.23 116.42 122.38 1a99 h ASP 212 Ca 0.01 -0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.06 1a99 h ASP 212 Cb 0.15 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 1a99 h ASP 212 CO 0.01 -0.28 -0.07 0.25 -1.72 0.00 0.00 179.24 177.43 1a99 h LEU 213 N -0.85 -0.25 -0.79 1.55 6.46 -1.11 -1.14 115.31 119.18 1a99 h LEU 213 Ca -0.07 0.08 0.06 0.00 -0.12 0.00 0.00 57.88 57.82 1a99 h LEU 213 Cb 0.59 0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.62 1a99 h LEU 213 CO 0.11 -0.09 0.48 -0.07 -0.62 0.00 0.00 178.44 178.25 1a99 h LEU 214 N -0.02 0.75 -1.21 2.25 3.38 -1.35 -0.52 115.31 118.60 1a99 h LEU 214 Ca 0.12 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1a99 h LEU 214 Cb 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1a99 h LEU 214 CO -0.26 0.49 -0.35 -0.07 0.09 0.00 0.00 178.44 178.34 1a99 h LEU 215 N 0.89 0.08 -0.14 1.67 3.38 -0.57 0.23 115.31 120.85 1a99 h LEU 215 Ca 0.34 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 1a99 h LEU 215 Cb 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1a99 h LEU 215 CO -0.17 0.43 -0.01 0.50 0.09 0.00 0.00 178.44 179.29 1a99 h LYS 216 N 0.07 0.26 -0.23 1.13 3.64 0.07 -3.24 116.57 118.28 1a99 h LYS 216 Ca 0.01 -0.09 -0.18 0.00 -1.27 0.00 0.00 60.65 59.12 1a99 h LYS 216 Cb 0.65 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1a99 h LYS 216 CO 0.05 0.50 -0.58 -0.07 -2.27 0.00 0.00 179.45 177.08 1a99 h LEU 217 N -0.01 0.83 -0.57 5.20 3.38 -0.91 -3.38 115.31 119.85 1a99 h LEU 217 Ca 0.04 -0.46 0.15 0.00 0.09 0.00 0.00 57.88 57.70 1a99 h LEU 217 Cb 0.39 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 40.79 1a99 h LEU 217 CO 0.01 1.23 -0.01 -1.14 0.09 0.00 0.00 178.44 178.61 1a99 n ARG 218 N -3.98 -0.05 0.12 1.13 3.00 0.79 -0.46 116.66 117.22 1a99 n ARG 218 Ca -0.04 0.86 0.11 0.00 -0.00 0.00 0.00 57.85 58.78 1a99 n ARG 218 Cb 0.64 -1.36 0.47 0.00 0.00 0.00 0.00 32.46 32.20 1a99 n ARG 218 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1a99 n PRO 219 N -4.75 0.15 0.00 -0.14 -0.04 -1.26 -2.58 135.00 126.38 1a99 n PRO 219 Ca 0.13 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.16 1a99 n PRO 219 Cb 0.42 -1.83 0.29 0.00 -0.04 0.00 0.00 33.50 32.34 1a99 n PRO 219 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a99 n ASN 220 N -2.12 1.74 -4.58 3.54 3.02 0.40 -4.87 115.26 112.38 1a99 n ASN 220 Ca 0.01 -1.40 -0.41 0.00 -0.03 0.00 0.00 54.58 52.75 1a99 n ASN 220 Cb 0.17 0.14 -0.08 0.00 -0.61 0.00 0.00 39.78 39.41 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 -2.25 5.01 0.21 2.41 1.01 -1.07 -4.44 121.20 122.08 1a99 s ILE 221 Ca 0.28 0.56 -0.05 0.00 0.00 0.00 0.00 60.65 61.43 1a99 s ILE 221 Cb 0.20 -3.93 0.05 0.00 0.01 0.00 0.00 42.46 38.78 1a99 s ILE 221 CO 0.43 -0.13 1.64 -0.09 0.00 0.00 0.00 174.94 176.80 1a99 h ARG 222 N 8.31 0.86 -2.39 2.79 2.43 -1.45 -3.47 114.38 121.45 1a99 h ARG 222 Ca -0.28 -0.32 0.11 0.00 -0.81 0.00 0.00 59.98 58.68 1a99 h ARG 222 Cb 1.13 -0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 30.49 1a99 h ARG 222 CO 0.76 0.95 0.45 1.52 -1.51 0.00 0.00 179.97 182.15 1a99 s TYR 223 N -4.74 -0.33 -0.35 2.20 -0.85 -1.21 -5.06 117.35 107.01 1a99 s TYR 223 Ca -0.10 0.15 -0.04 0.00 -0.52 0.00 0.00 57.07 56.56 1a99 s TYR 223 Cb 0.13 0.56 0.07 0.00 0.38 0.00 0.00 41.96 43.10 1a99 s TYR 223 CO 0.84 -0.64 0.11 -0.06 -1.52 0.00 0.00 175.55 174.27 1a99 s PHE 224 N -3.24 3.36 -0.14 -3.49 0.40 -1.26 -1.73 117.98 111.88 1a99 s PHE 224 Ca 0.06 -1.89 -0.16 0.00 -0.60 0.00 0.00 56.93 54.34 1a99 s PHE 224 Cb -0.01 -2.54 0.04 0.00 0.51 0.00 0.00 43.02 41.02 1a99 s PHE 224 CO -0.07 -0.84 0.44 -1.58 0.70 0.00 0.00 175.22 173.87 1a99 s HIS 225 N 1.27 -0.45 -0.61 0.36 2.46 0.10 -4.60 115.29 113.83 1a99 s HIS 225 Ca 0.00 1.04 0.16 0.00 0.47 0.00 0.00 55.06 56.73 1a99 s HIS 225 Cb -0.21 0.17 0.79 0.00 -0.13 0.00 0.00 32.58 33.20 1a99 s HIS 225 CO -0.01 -0.28 1.71 0.43 -2.47 0.00 0.00 174.74 174.12 1a99 n SER 226 N 2.49 5.37 0.00 9.88 7.64 -1.26 -4.07 113.62 133.66 1a99 n SER 226 Ca -0.15 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 56.99 1a99 n SER 226 Cb 0.57 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 0.83 0.00 0.18 6.43 3.41 -1.26 -4.92 113.62 118.28 1a99 n SER 227 Ca 0.27 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 59.01 1a99 n SER 227 Cb 1.08 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.65 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 4.15 -2.01 -2.66 115.11 118.93 1a99 h GLN 228 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1a99 h GLN 228 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1a99 h GLN 228 CO 0.00 0.00 0.00 0.10 -1.93 0.00 0.00 178.83 177.00 1a99 h TYR 229 N 0.00 0.00 0.23 3.99 -0.00 -1.91 -3.04 116.97 116.24 1a99 h TYR 229 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 1a99 h TYR 229 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.92 1a99 h TYR 229 CO 0.00 0.00 -0.11 0.82 -0.00 0.00 0.00 178.16 178.87 1a99 h ILE 230 N 0.00 0.84 -0.25 -0.90 2.04 -1.80 -0.07 117.51 117.37 1a99 h ILE 230 Ca 0.00 -0.63 -0.08 0.00 1.00 0.00 0.00 64.86 65.15 1a99 h ILE 230 Cb 0.48 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1a99 h ILE 230 CO 0.00 0.13 -0.19 0.78 0.00 0.00 0.00 178.15 178.88 1a99 h ASN 231 N -0.64 0.44 -0.08 1.72 2.35 -1.77 -0.91 115.58 116.68 1a99 h ASN 231 Ca -0.03 -0.13 -0.16 0.00 -0.55 0.00 0.00 56.30 55.44 1a99 h ASN 231 Cb 0.46 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1a99 h ASN 231 CO 0.05 0.64 -0.49 0.44 -1.65 0.00 0.00 177.43 176.43 1a99 h ASP 232 N 0.41 0.70 -0.53 5.81 3.32 -1.51 0.87 116.42 125.50 1a99 h ASP 232 Ca 0.07 -0.35 -0.10 0.00 0.02 0.00 0.00 57.03 56.66 1a99 h ASP 232 Cb 0.56 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1a99 h ASP 232 CO 0.04 1.07 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.49 1a99 h LEU 233 N 0.51 0.98 -0.67 1.55 3.38 -0.69 0.35 115.31 120.72 1a99 h LEU 233 Ca 0.02 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1a99 h LEU 233 Cb 1.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1a99 h LEU 233 CO 0.10 1.09 0.18 0.00 0.09 0.00 0.00 178.44 179.90 1a99 h ALA 234 N 0.93 0.88 -0.00 1.53 0.00 -0.88 -3.08 119.26 118.65 1a99 h ALA 234 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1a99 h ALA 234 Cb 0.63 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1a99 h ALA 234 CO 0.04 0.58 -0.17 0.09 0.00 0.00 0.00 179.25 179.79 1a99 n ASN 235 N -4.30 0.18 0.00 0.00 5.03 0.28 -4.60 115.26 111.84 1a99 n ASN 235 Ca 0.05 0.22 0.00 0.00 0.87 0.00 0.00 54.58 55.72 1a99 n ASN 235 Cb 0.24 -0.24 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 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 1.49 0.63 0.14 7.41 0.00 -0.71 -4.96 105.19 109.19 1a99 n GLY 236 Ca 0.07 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -4.19 1.61 3.32 -1.24 -3.45 116.42 112.48 1a99 h ASP 237 Ca 0.00 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.62 1a99 h ASP 237 Cb 0.00 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.35 1a99 h ASP 237 CO 0.00 0.57 -0.77 0.27 -1.72 0.00 0.00 179.24 177.59 1a99 s ILE 238 N -3.31 1.32 -0.05 0.35 -4.36 -1.16 -4.52 121.20 109.47 1a99 s ILE 238 Ca 0.01 -1.58 0.15 0.00 -0.26 0.00 0.00 60.65 58.97 1a99 s ILE 238 Cb 0.10 -1.40 -0.23 0.00 1.25 0.00 0.00 42.46 42.18 1a99 s ILE 238 CO 0.74 -0.32 0.28 0.00 0.24 0.00 0.00 174.94 175.88 1a99 s VAL 240 N -2.93 0.13 -0.09 0.00 -7.23 -1.03 -0.73 120.40 108.51 1a99 s VAL 240 Ca -0.06 -1.05 -0.31 0.00 -1.81 0.00 0.00 61.98 58.75 1a99 s VAL 240 Cb 0.09 -0.88 0.09 0.00 0.56 0.00 0.00 36.38 36.24 1a99 s VAL 240 CO 0.65 -0.58 0.81 0.00 -0.31 0.00 0.00 175.10 175.67 1a99 s ALA 241 N -2.57 -1.84 -0.21 1.32 0.00 -0.09 -1.99 121.76 116.39 1a99 s ALA 241 Ca -0.05 1.42 -0.18 0.00 0.00 0.00 0.00 51.96 53.15 1a99 s ALA 241 Cb -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1a99 s ALA 241 CO -0.04 -0.35 0.51 0.42 0.00 0.00 0.00 175.76 176.30 1a99 s ILE 242 N -1.20 5.11 0.28 0.00 1.01 -0.47 -1.06 121.20 124.88 1a99 s ILE 242 Ca -0.07 0.93 -0.13 0.00 0.00 0.00 0.00 60.65 61.38 1a99 s ILE 242 Cb -0.00 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.64 1a99 s ILE 242 CO 0.06 0.17 0.55 -0.83 0.00 0.00 0.00 174.94 174.89 1a99 s GLY 243 N 1.18 0.55 -0.02 6.18 0.00 -0.13 -3.40 107.32 111.67 1a99 s GLY 243 Ca 0.23 -0.86 -0.27 0.00 0.00 0.00 0.00 44.72 43.82 1a99 s GLY 243 CO 0.09 -0.56 0.87 -0.98 0.00 0.00 0.00 173.10 172.53 1a99 s TRP 244 N -3.70 3.64 0.14 1.90 0.51 -1.26 -0.89 118.94 119.28 1a99 s TRP 244 Ca 0.21 1.53 -0.26 0.00 -2.12 0.00 0.00 56.10 55.46 1a99 s TRP 244 Cb -0.02 -2.99 -0.06 0.00 -0.81 0.00 0.00 33.47 29.59 1a99 s TRP 244 CO 0.10 0.05 1.45 0.00 -0.51 0.00 0.00 176.95 178.05 1a99 n ALA 245 N 3.76 -0.54 -0.30 0.98 0.00 -0.64 -1.51 120.51 122.25 1a99 n ALA 245 Ca 0.03 0.72 0.05 0.00 0.00 0.00 0.00 53.44 54.24 1a99 n ALA 245 Cb 0.51 -0.04 0.20 0.00 0.00 0.00 0.00 19.45 20.11 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 1.04 0.00 0.00 -1.86 -0.84 103.07 102.79 1a99 h GLY 246 Ca 0.14 -0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.18 1a99 h GLY 246 CO -0.80 0.09 0.57 -0.55 0.00 0.00 0.00 176.54 175.85 1a99 h ASP 247 N 0.78 0.93 -0.27 0.19 5.19 -1.52 0.48 116.42 122.20 1a99 h ASP 247 Ca 0.43 -0.01 -0.17 0.00 -0.62 0.00 0.00 57.03 56.66 1a99 h ASP 247 Cb 0.47 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.77 1a99 h ASP 247 CO -0.28 0.64 -0.49 0.58 -3.12 0.00 0.00 179.24 176.57 1a99 h VAL 248 N 1.08 1.29 -0.12 -1.35 2.07 -0.80 -1.89 116.25 116.54 1a99 h VAL 248 Ca 0.34 -1.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.10 1a99 h VAL 248 Cb 0.01 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1a99 h VAL 248 CO -0.10 0.54 -0.29 -0.50 0.02 0.00 0.00 177.57 177.24 1a99 h TRP 249 N 0.58 0.24 -0.72 1.57 -0.00 -0.87 0.19 115.95 116.93 1a99 h TRP 249 Ca 0.02 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.89 58.81 1a99 h TRP 249 Cb 1.10 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.16 30.17 1a99 h TRP 249 CO 0.08 0.50 0.25 1.96 -0.00 0.00 0.00 178.44 181.22 1a99 h GLN 250 N 0.20 1.10 -0.25 0.49 4.20 -0.66 0.15 115.11 120.33 1a99 h GLN 250 Ca 0.03 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 1a99 h GLN 250 Cb 0.63 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1a99 h GLN 250 CO 0.05 0.92 0.06 0.00 -0.67 0.00 0.00 178.83 179.18 1a99 h ALA 251 N 1.20 0.33 -0.65 3.87 0.00 -0.42 0.75 119.26 124.34 1a99 h ALA 251 Ca 0.24 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1a99 h ALA 251 Cb 0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1a99 h ALA 251 CO -0.01 -0.00 0.36 1.03 0.00 0.00 0.00 179.25 180.62 1a99 h SER 252 N 0.23 0.54 -0.37 0.00 0.87 -0.13 -1.71 113.55 112.97 1a99 h SER 252 Ca 0.08 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1a99 h SER 252 Cb 0.30 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1a99 h SER 252 CO 0.00 0.35 0.04 -1.13 -0.53 0.00 0.00 176.83 175.57 1a99 h ASN 253 N 0.67 0.61 -0.24 6.23 -0.73 -0.38 -2.04 115.58 119.69 1a99 h ASN 253 Ca 0.29 -0.28 0.01 0.00 1.87 0.00 0.00 56.30 58.19 1a99 h ASN 253 Cb 0.16 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 1a99 h ASN 253 CO -0.17 0.73 0.16 0.03 -0.37 0.00 0.00 177.43 177.81 1a99 h ARG 254 N 0.46 0.28 -0.22 6.67 3.08 -0.42 0.14 114.38 124.37 1a99 h ARG 254 Ca 0.11 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.96 1a99 h ARG 254 Cb 0.39 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1a99 h ARG 254 CO 0.01 0.18 -0.61 0.00 -1.07 0.00 0.00 179.97 178.49 1a99 h ALA 255 N 1.86 0.51 -0.25 0.04 0.00 -0.98 -1.67 119.26 118.77 1a99 h ALA 255 Ca 0.09 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1a99 h ALA 255 Cb 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1a99 h ALA 255 CO -0.02 0.69 0.08 0.87 0.00 0.00 0.00 179.25 180.88 1a99 h LYS 256 N 0.55 0.39 -0.89 0.00 1.79 -0.56 -0.86 116.57 117.00 1a99 h LYS 256 Ca -0.00 -0.08 0.03 0.00 -2.18 0.00 0.00 60.65 58.42 1a99 h LYS 256 Cb 1.20 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.74 1a99 h LYS 256 CO 0.12 0.45 0.57 0.93 -1.08 0.00 0.00 179.45 180.45 1a99 h GLU 257 N 0.24 1.08 0.00 3.15 4.39 -0.95 -1.25 114.58 121.23 1a99 h GLU 257 Ca 0.08 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1a99 h GLU 257 Cb 0.22 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1a99 h GLU 257 CO -0.00 0.71 0.00 0.00 -1.16 0.00 0.00 179.01 178.56 1a99 h ALA 258 N 1.37 1.00 -6.18 3.43 0.00 -1.03 -3.47 119.26 114.38 1a99 h ALA 258 Ca 0.35 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.81 1a99 h ALA 258 Cb 0.01 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1a99 h ALA 258 CO -0.12 0.00 -0.76 1.63 0.00 0.00 0.00 179.25 180.00 1a99 n LYS 259 N -2.70 -5.83 0.00 0.00 5.02 -0.35 -4.88 118.16 109.42 1a99 n LYS 259 Ca 0.03 0.64 0.14 0.00 -2.02 0.00 0.00 58.31 57.10 1a99 n LYS 259 Cb 0.38 -5.50 0.55 0.00 -0.02 0.00 0.00 35.03 30.43 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 -2.91 1.38 0.00 4.39 0.23 -1.19 -4.94 115.26 112.22 1a99 n ASN 260 Ca -0.03 -1.44 0.00 0.00 -0.53 0.00 0.00 54.58 52.58 1a99 n ASN 260 Cb 0.56 0.00 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 1.17 1.84 3.71 4.83 0.00 -1.26 -5.03 105.19 110.46 1a99 n GLY 261 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.73 4.07 -0.48 1.61 1.01 -1.26 -5.02 120.40 117.61 1a99 s VAL 262 Ca 0.00 1.48 -0.05 0.00 0.00 0.00 0.00 61.98 63.41 1a99 s VAL 262 Cb 0.00 -3.95 0.13 0.00 0.00 0.00 0.00 36.38 32.55 1a99 s VAL 262 CO 0.00 0.11 0.31 0.20 0.00 0.00 0.00 175.10 175.72 1a99 s ASN 263 N 1.08 5.44 -0.15 3.32 0.02 -1.26 -4.68 114.94 118.72 1a99 s ASN 263 Ca 0.58 -2.16 -0.08 0.00 -1.02 0.00 0.00 52.86 50.19 1a99 s ASN 263 Cb -0.29 -1.90 -0.04 0.00 0.02 0.00 0.00 41.25 39.03 1a99 s ASN 263 CO 0.29 -0.56 0.14 -0.69 0.02 0.00 0.00 177.10 176.29 1a99 s VAL 264 N 0.98 5.47 0.31 1.60 1.01 -1.26 -0.05 120.40 128.46 1a99 s VAL 264 Ca 0.09 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1a99 s VAL 264 Cb -0.23 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1a99 s VAL 264 CO -0.03 0.56 0.16 -0.55 0.00 0.00 0.00 175.10 175.24 1a99 s SER 265 N -0.55 1.62 0.05 3.32 0.15 -0.30 -4.64 113.70 113.36 1a99 s SER 265 Ca 0.13 -1.57 0.02 0.00 0.70 0.00 0.00 55.95 55.22 1a99 s SER 265 Cb -0.12 0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 1a99 s SER 265 CO 0.02 -0.90 -0.08 0.12 1.20 0.00 0.00 173.24 173.61 1a99 s PHE 266 N -3.57 0.72 -0.01 3.44 5.36 -1.26 -1.31 117.98 121.35 1a99 s PHE 266 Ca 0.35 -0.58 0.00 0.00 -0.96 0.00 0.00 56.93 55.74 1a99 s PHE 266 Cb 0.05 -0.43 0.00 0.00 -0.34 0.00 0.00 43.02 42.30 1a99 s PHE 266 CO 0.18 -0.10 -0.01 0.45 -1.46 0.00 0.00 175.22 174.28 1a99 s SER 267 N -1.87 0.17 -0.48 6.13 0.15 0.12 -4.98 113.70 112.93 1a99 s SER 267 Ca -0.06 -0.02 -0.09 0.00 0.70 0.00 0.00 55.95 56.49 1a99 s SER 267 Cb -0.07 -0.04 0.12 0.00 -1.71 0.00 0.00 66.02 64.32 1a99 s SER 267 CO -0.01 -0.01 0.35 -0.63 1.20 0.00 0.00 173.24 174.15 1a99 s ILE 268 N 0.16 4.19 0.52 6.45 1.01 -1.26 -1.44 121.20 130.82 1a99 s ILE 268 Ca -0.01 -1.83 -0.21 0.00 0.00 0.00 0.00 60.65 58.60 1a99 s ILE 268 Cb -0.03 -3.76 -0.08 0.00 0.01 0.00 0.00 42.46 38.60 1a99 s ILE 268 CO -0.00 -0.78 0.85 -2.65 0.00 0.00 0.00 174.94 172.36 1a99 n PRO 269 N 4.86 0.95 0.19 2.79 -0.02 -1.26 -4.89 135.00 137.62 1a99 n PRO 269 Ca -0.07 0.36 0.14 0.00 -2.02 0.00 0.00 63.50 61.90 1a99 n PRO 269 Cb 0.41 -1.98 0.67 0.00 -0.02 0.00 0.00 33.50 32.58 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 0.83 0.00 -0.00 -0.52 2.10 -1.36 -1.38 116.57 116.24 1a99 h LYS 270 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1a99 h LYS 270 Cb 1.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 1a99 h LYS 270 CO 0.52 0.00 -0.06 0.39 -2.00 0.00 0.00 179.45 178.30 1a99 n GLU 271 N -2.44 0.43 0.00 0.07 4.71 -1.26 -5.02 120.64 117.13 1a99 n GLU 271 Ca -0.01 -0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 1a99 n GLU 271 Cb 0.11 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 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 1.32 1.87 3.47 0.62 0.00 -0.52 -4.94 105.19 107.00 1a99 n GLY 272 Ca 0.13 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.07 -1.17 0.15 4.61 0.00 -1.19 -4.53 121.76 117.56 1a99 s ALA 273 Ca 0.00 0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.73 1a99 s ALA 273 Cb 0.00 0.83 -0.07 0.00 0.00 0.00 0.00 23.12 23.88 1a99 s ALA 273 CO 0.00 -0.77 0.85 1.41 0.00 0.00 0.00 175.76 177.25 1a99 s MET 274 N -3.82 4.66 -0.09 0.00 1.75 -1.26 -1.46 119.30 119.08 1a99 s MET 274 Ca 0.05 1.28 0.01 0.00 -1.25 0.00 0.00 55.69 55.78 1a99 s MET 274 Cb -0.01 -3.31 -0.03 0.00 2.84 0.00 0.00 34.83 34.33 1a99 s MET 274 CO -0.07 0.43 -0.09 0.00 -0.65 0.00 0.00 175.02 174.64 1a99 s ALA 275 N -0.73 2.85 0.23 4.11 0.00 0.59 -0.95 121.76 127.86 1a99 s ALA 275 Ca 0.40 -0.90 0.10 0.00 0.00 0.00 0.00 51.96 51.55 1a99 s ALA 275 Cb -0.23 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 1a99 s ALA 275 CO 0.28 0.47 -0.18 -0.59 0.00 0.00 0.00 175.76 175.74 1a99 s PHE 276 N -0.44 2.01 -0.22 0.00 -0.71 -0.51 -4.52 117.98 113.58 1a99 s PHE 276 Ca 0.06 -0.44 -0.02 0.00 -1.04 0.00 0.00 56.93 55.48 1a99 s PHE 276 Cb -0.12 -0.92 0.07 0.00 -1.21 0.00 0.00 43.02 40.84 1a99 s PHE 276 CO 0.02 0.51 0.05 -0.06 -1.34 0.00 0.00 175.22 174.40 1a99 s PHE 277 N -2.54 1.14 0.18 3.49 0.08 -1.26 -2.68 117.98 116.39 1a99 s PHE 277 Ca 0.24 -1.04 -0.25 0.00 0.12 0.00 0.00 56.93 56.00 1a99 s PHE 277 Cb -0.04 -1.15 -0.08 0.00 -0.57 0.00 0.00 43.02 41.18 1a99 s PHE 277 CO 0.10 -0.68 0.79 -0.51 -0.10 0.00 0.00 175.22 174.83 1a99 s ASP 278 N 1.82 7.40 0.09 1.36 1.01 -0.46 -0.38 116.67 127.50 1a99 s ASP 278 Ca 0.01 1.67 0.02 0.00 0.71 0.00 0.00 52.55 54.96 1a99 s ASP 278 Cb -0.17 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 1a99 s ASP 278 CO -0.13 0.19 -0.07 0.68 0.21 0.00 0.00 175.17 176.06 1a99 s VAL 279 N -1.18 0.66 -0.08 -1.27 -7.23 -0.50 -1.11 120.40 109.68 1a99 s VAL 279 Ca 0.37 -1.83 -0.11 0.00 -1.81 0.00 0.00 61.98 58.60 1a99 s VAL 279 Cb -0.23 -1.55 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 1a99 s VAL 279 CO 0.26 -0.82 0.26 -0.36 -0.31 0.00 0.00 175.10 174.13 1a99 s PHE 280 N -3.38 3.62 0.10 2.82 0.40 0.12 -3.04 117.98 118.62 1a99 s PHE 280 Ca 0.09 0.70 -0.05 0.00 -0.60 0.00 0.00 56.93 57.07 1a99 s PHE 280 Cb 0.04 -2.13 -0.02 0.00 0.51 0.00 0.00 43.02 41.42 1a99 s PHE 280 CO -0.04 0.62 0.12 0.00 0.70 0.00 0.00 175.22 176.62 1a99 s ALA 281 N -0.80 0.27 -0.23 5.36 0.00 -0.35 -1.45 121.76 124.57 1a99 s ALA 281 Ca 0.18 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1a99 s ALA 281 Cb -0.14 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.61 1a99 s ALA 281 CO 0.07 -0.50 -0.12 1.41 0.00 0.00 0.00 175.76 176.63 1a99 s MET 282 N -3.94 2.74 0.24 0.00 1.75 -1.26 -2.05 119.30 116.78 1a99 s MET 282 Ca 0.12 -1.02 -0.31 0.00 -1.25 0.00 0.00 55.69 53.24 1a99 s MET 282 Cb 0.06 -2.82 -0.14 0.00 2.84 0.00 0.00 34.83 34.77 1a99 s MET 282 CO -0.05 -0.38 1.28 -2.30 -0.65 0.00 0.00 175.02 172.92 1a99 n PRO 283 N 4.59 1.75 0.21 4.11 -0.02 -1.25 -1.56 135.00 142.83 1a99 n PRO 283 Ca -0.17 0.62 0.12 0.00 -2.02 0.00 0.00 63.50 62.04 1a99 n PRO 283 Cb 0.47 -2.19 0.63 0.00 -0.02 0.00 0.00 33.50 32.38 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 3.53 1.12 -0.25 3.55 0.00 -1.10 -0.74 119.26 125.38 1a99 h ALA 284 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1a99 h ALA 284 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1a99 h ALA 284 CO 0.71 -0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.44 1a99 n ASP 285 N -2.39 3.65 -4.74 0.00 5.75 -1.26 -4.85 116.55 112.71 1a99 n ASP 285 Ca -0.02 -2.89 -0.42 0.00 -0.01 0.00 0.00 54.79 51.45 1a99 n ASP 285 Cb 0.19 -0.49 -0.01 0.00 -1.03 0.00 0.00 41.12 39.78 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 -0.45 2.00 -0.05 2.12 0.00 -0.28 -4.93 120.51 118.92 1a99 n ALA 286 Ca 0.20 0.36 -0.17 0.00 0.00 0.00 0.00 53.44 53.82 1a99 n ALA 286 Cb 0.82 -2.37 -0.14 0.00 0.00 0.00 0.00 19.45 17.76 1a99 n ALA 286 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1a99 n LYS 287 N 0.83 0.70 -2.60 0.00 2.85 -1.26 -4.57 118.16 114.10 1a99 n LYS 287 Ca 0.04 0.20 -0.42 0.00 -1.05 0.00 0.00 58.31 57.09 1a99 n LYS 287 Cb 0.37 -1.64 0.01 0.00 -0.65 0.00 0.00 35.03 33.12 1a99 n LYS 287 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1a99 n ASN 288 N -3.26 6.96 -0.37 -5.58 3.02 -1.26 -4.80 115.26 109.97 1a99 n ASN 288 Ca -0.34 -3.45 -0.02 0.00 -0.03 0.00 0.00 54.58 50.74 1a99 n ASN 288 Cb 1.04 -1.27 0.10 0.00 -0.61 0.00 0.00 39.78 39.05 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 4.81 1.30 -0.42 3.52 1.57 -1.95 -1.74 116.57 123.65 1a99 h LYS 289 Ca 0.45 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 59.00 1a99 h LYS 289 Cb 0.44 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1a99 h LYS 289 CO 1.33 0.87 -0.29 -0.44 -0.57 0.00 0.00 179.45 180.35 1a99 h ASP 290 N 1.33 0.97 0.21 0.86 3.32 -1.99 -1.10 116.42 120.02 1a99 h ASP 290 Ca 0.36 -0.40 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 1a99 h ASP 290 Cb -0.13 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.14 1a99 h ASP 290 CO -0.08 1.18 -0.28 -0.33 -1.72 0.00 0.00 179.24 178.01 1a99 h GLU 291 N 0.78 0.13 -0.19 3.56 3.07 -1.86 -2.00 114.58 118.07 1a99 h GLU 291 Ca 0.09 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.85 1a99 h GLU 291 Cb 0.87 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.76 1a99 h GLU 291 CO 0.08 0.41 -0.11 0.00 -1.40 0.00 0.00 179.01 177.98 1a99 h ALA 292 N 1.60 0.27 -0.20 3.43 0.00 -0.86 -2.09 119.26 121.41 1a99 h ALA 292 Ca 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1a99 h ALA 292 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1a99 h ALA 292 CO 0.04 0.12 0.04 1.88 0.00 0.00 0.00 179.25 181.33 1a99 h TYR 293 N 0.10 0.28 -0.56 0.00 0.05 -0.97 -0.30 116.97 115.56 1a99 h TYR 293 Ca 0.04 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 1a99 h TYR 293 Cb 0.61 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 1a99 h TYR 293 CO 0.07 0.26 0.11 1.96 -1.05 0.00 0.00 178.16 179.51 1a99 h GLN 294 N 0.28 0.92 -0.44 4.88 4.20 -1.07 -1.03 115.11 122.85 1a99 h GLN 294 Ca 0.07 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 1a99 h GLN 294 Cb 0.13 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1a99 h GLN 294 CO -0.00 0.87 0.06 0.35 -0.67 0.00 0.00 178.83 179.44 1a99 h PHE 295 N 0.81 0.78 -0.74 2.96 3.57 -0.59 -1.17 116.94 122.56 1a99 h PHE 295 Ca 0.17 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1a99 h PHE 295 Cb 0.39 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 1a99 h PHE 295 CO 0.03 0.75 0.49 -0.07 -2.23 0.00 0.00 178.31 177.27 1a99 h LEU 296 N 0.59 0.84 -1.03 0.59 3.38 -0.84 -0.56 115.31 118.28 1a99 h LEU 296 Ca 0.13 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1a99 h LEU 296 Cb 0.39 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1a99 h LEU 296 CO 0.01 0.61 -0.29 0.78 0.09 0.00 0.00 178.44 179.64 1a99 h ASN 297 N 0.99 0.34 -0.79 -0.43 2.35 -1.06 -1.33 115.58 115.65 1a99 h ASN 297 Ca 0.27 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1a99 h ASN 297 Cb -0.11 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 1a99 h ASN 297 CO -0.06 0.62 0.36 0.22 -1.65 0.00 0.00 177.43 176.92 1a99 h TYR 298 N 0.30 1.16 0.00 1.19 3.20 -0.27 -2.55 116.97 120.00 1a99 h TYR 298 Ca 0.04 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 1a99 h TYR 298 Cb 0.67 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1a99 h TYR 298 CO 0.02 0.86 -0.24 -0.07 -1.64 0.00 0.00 178.16 177.08 1a99 h LEU 299 N 1.13 0.00 -0.25 2.82 3.38 -0.53 -2.83 115.31 119.02 1a99 h LEU 299 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1a99 h LEU 299 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1a99 h LEU 299 CO -0.03 0.24 0.00 0.18 0.09 0.00 0.00 178.44 178.92 1a99 n LEU 300 N -3.34 0.40 -4.67 1.67 4.77 -0.56 -4.29 117.00 110.99 1a99 n LEU 300 Ca 0.01 0.57 -0.43 0.00 -0.03 0.00 0.00 56.01 56.14 1a99 n LEU 300 Cb 0.48 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1a99 n LEU 300 CO 0.34 -0.30 1.18 -0.13 -1.33 0.00 0.00 177.39 177.14 1a99 s ARG 301 N -3.13 4.23 0.32 3.23 0.52 -1.07 -4.91 118.95 118.14 1a99 s ARG 301 Ca 0.08 1.88 0.10 0.00 -0.52 0.00 0.00 55.73 57.27 1a99 s ARG 301 Cb 0.12 -3.79 0.93 0.00 0.52 0.00 0.00 34.95 32.72 1a99 s ARG 301 CO 0.42 -0.72 1.68 -1.35 0.02 0.00 0.00 175.30 175.36 1a99 h PRO 302 N 8.53 0.39 -0.08 3.54 0.11 -1.90 -0.84 132.00 141.76 1a99 h PRO 302 Ca -0.33 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.59 1a99 h PRO 302 Cb 1.14 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1a99 h PRO 302 CO 0.95 0.26 -0.68 0.38 -0.21 0.00 0.00 178.00 178.70 1a99 h ASP 303 N 0.40 0.39 0.16 -2.05 2.03 -1.92 -2.35 116.42 113.07 1a99 h ASP 303 Ca 0.66 -0.24 -0.01 0.00 -0.73 0.00 0.00 57.03 56.71 1a99 h ASP 303 Cb 1.39 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1a99 h ASP 303 CO -0.56 0.95 -0.08 0.58 -1.03 0.00 0.00 179.24 179.10 1a99 h VAL 304 N 0.23 0.96 -0.20 4.15 2.07 -1.44 -2.36 116.25 119.66 1a99 h VAL 304 Ca -0.02 -0.61 -0.14 0.00 0.82 0.00 0.00 66.70 66.75 1a99 h VAL 304 Cb 1.22 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1a99 h VAL 304 CO 0.11 0.14 -0.47 -0.37 0.02 0.00 0.00 177.57 177.00 1a99 h VAL 305 N -0.51 1.31 -0.07 2.57 -1.51 -1.56 -2.52 116.25 113.96 1a99 h VAL 305 Ca -0.02 -1.68 -0.04 0.00 -1.23 0.00 0.00 66.70 63.73 1a99 h VAL 305 Cb 0.39 1.67 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 1a99 h VAL 305 CO 0.04 0.52 -0.15 0.00 -1.23 0.00 0.00 177.57 176.74 1a99 h ALA 306 N 1.08 1.62 -0.40 5.19 0.00 -1.47 -0.25 119.26 125.04 1a99 h ALA 306 Ca 0.02 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1a99 h ALA 306 Cb 0.98 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1a99 h ALA 306 CO 0.09 0.28 -0.33 1.25 0.00 0.00 0.00 179.25 180.54 1a99 h HIS 307 N 0.10 1.05 0.23 0.00 6.17 -1.07 -1.92 115.15 119.72 1a99 h HIS 307 Ca 0.02 -0.29 -0.01 0.00 0.71 0.00 0.00 60.37 60.80 1a99 h HIS 307 Cb 0.34 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.04 1a99 h HIS 307 CO 0.00 1.09 -0.11 0.82 0.71 0.00 0.00 177.93 180.44 1a99 h ILE 308 N 0.75 0.83 -0.84 6.26 2.04 -0.87 -2.72 117.51 122.96 1a99 h ILE 308 Ca 0.08 -0.39 0.21 0.00 1.00 0.00 0.00 64.86 65.75 1a99 h ILE 308 Cb 0.90 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 1a99 h ILE 308 CO 0.08 0.09 0.58 0.28 0.00 0.00 0.00 178.15 179.18 1a99 h SER 309 N -0.51 0.20 0.01 1.72 0.02 -1.02 0.59 113.55 114.56 1a99 h SER 309 Ca -0.03 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1a99 h SER 309 Cb 0.38 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1a99 h SER 309 CO 0.05 0.08 -0.20 0.44 -1.14 0.00 0.00 176.83 176.07 1a99 h ASP 310 N 0.20 0.33 0.00 3.07 3.32 -1.03 -1.24 116.42 121.07 1a99 h ASP 310 Ca 0.42 -0.09 -0.19 0.00 0.02 0.00 0.00 57.03 57.19 1a99 h ASP 310 Cb 1.32 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 1a99 h ASP 310 CO -0.09 0.55 -2.15 1.41 -1.72 0.00 0.00 179.24 177.23 1a99 n HIS 311 N -4.19 0.00 0.27 4.55 8.25 -0.03 -4.52 115.22 119.55 1a99 n HIS 311 Ca -0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1a99 n HIS 311 Cb 0.34 -0.73 -0.05 0.00 1.12 0.00 0.00 29.99 30.67 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 -2.49 0.25 -2.63 1.59 0.31 -0.01 -4.96 118.33 110.40 1a99 n VAL 312 Ca -0.19 -0.40 -0.20 0.00 -0.01 0.00 0.00 64.34 63.54 1a99 n VAL 312 Cb 0.86 0.01 0.01 0.00 -0.91 0.00 0.00 33.84 33.80 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 -2.25 -1.32 -4.34 3.52 3.01 -0.47 -4.59 117.46 111.02 1a99 n PHE 313 Ca -0.00 0.22 -0.30 0.00 1.01 0.00 0.00 57.45 58.38 1a99 n PHE 313 Cb 0.51 -3.95 -0.11 0.00 -0.01 0.00 0.00 39.48 35.92 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 -3.03 2.56 0.14 1.38 1.51 -1.25 -4.11 117.35 114.55 1a99 s TYR 314 Ca 0.13 -0.25 -0.29 0.00 -1.01 0.00 0.00 57.07 55.64 1a99 s TYR 314 Cb -0.06 -1.37 -0.07 0.00 -0.11 0.00 0.00 41.96 40.36 1a99 s TYR 314 CO 0.16 0.37 0.94 0.00 -1.11 0.00 0.00 175.55 175.91 1a99 s ALA 315 N -1.12 3.28 0.49 3.71 0.00 -1.23 -4.53 121.76 122.35 1a99 s ALA 315 Ca 0.18 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.73 1a99 s ALA 315 Cb -0.11 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1a99 s ALA 315 CO 0.10 0.05 0.68 0.54 0.00 0.00 0.00 175.76 177.14 1a99 s ASN 316 N -0.35 5.51 0.00 0.00 4.22 -1.26 -1.65 114.94 121.41 1a99 s ASN 316 Ca 0.44 -0.08 0.19 0.00 -2.14 0.00 0.00 52.86 51.28 1a99 s ASN 316 Cb -0.24 -0.96 0.62 0.00 1.28 0.00 0.00 41.25 41.96 1a99 s ASN 316 CO 0.30 -0.92 1.47 0.00 -2.04 0.00 0.00 177.10 175.91 1a99 n ALA 317 N -2.13 2.49 -2.64 3.54 0.00 -0.73 -4.85 120.51 116.19 1a99 n ALA 317 Ca 0.06 -0.61 -0.43 0.00 0.00 0.00 0.00 53.44 52.46 1a99 n ALA 317 Cb 0.59 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.43 6.33 0.39 0.00 3.84 -1.26 0.28 114.94 123.09 1a99 s ASN 318 Ca 0.31 -0.41 0.07 0.00 0.21 0.00 0.00 52.86 53.04 1a99 s ASN 318 Cb 0.17 -2.39 0.78 0.00 -0.55 0.00 0.00 41.25 39.26 1a99 s ASN 318 CO 0.25 -1.06 1.99 0.50 -2.79 0.00 0.00 177.10 175.98 1a99 h LYS 319 N 9.14 0.48 -0.16 0.43 3.64 -0.50 -2.41 116.57 127.20 1a99 h LYS 319 Ca -0.26 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 58.90 1a99 h LYS 319 Cb 1.08 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1a99 h LYS 319 CO 1.02 0.41 -0.55 0.00 -2.27 0.00 0.00 179.45 178.06 1a99 h ALA 320 N 1.66 0.74 0.00 5.00 0.00 -1.87 -3.25 119.26 121.55 1a99 h ALA 320 Ca 0.12 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1a99 h ALA 320 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1a99 h ALA 320 CO -0.01 0.69 -0.25 0.00 0.00 0.00 0.00 179.25 179.68 1a99 h ALA 321 N 1.03 1.23 -0.72 0.00 0.00 -1.68 -3.36 119.26 115.76 1a99 h ALA 321 Ca 0.01 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.80 1a99 h ALA 321 Cb 1.08 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.71 1a99 h ALA 321 CO 0.10 0.31 -0.40 1.15 0.00 0.00 0.00 179.25 180.42 1a99 h THR 322 N 0.00 0.09 -0.23 0.00 2.02 -1.58 0.18 112.91 113.39 1a99 h THR 322 Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.24 1a99 h THR 322 Cb 0.58 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1a99 h THR 322 CO 0.03 0.00 0.23 -0.65 0.37 0.00 0.00 175.52 175.50 1a99 h PRO 323 N -0.13 0.00 0.00 6.66 0.11 -1.83 -0.38 132.00 136.42 1a99 h PRO 323 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1a99 h PRO 323 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1a99 h PRO 323 CO -0.78 0.00 -0.12 1.28 -0.21 0.00 0.00 178.00 178.17 1a99 n LEU 324 N -3.93 0.20 -4.73 2.35 4.32 0.04 -4.85 117.00 110.39 1a99 n LEU 324 Ca 0.03 0.40 -0.41 0.00 -0.02 0.00 0.00 56.01 56.00 1a99 n LEU 324 Cb 0.36 -0.42 -0.04 0.00 -1.62 0.00 0.00 43.42 41.70 1a99 n LEU 324 CO 0.29 0.01 0.77 -0.69 -1.22 0.00 0.00 177.39 176.55 1a99 s VAL 325 N -3.01 4.00 0.48 4.08 1.01 -0.16 -4.88 120.40 121.93 1a99 s VAL 325 Ca 0.13 1.70 -0.21 0.00 0.00 0.00 0.00 61.98 63.60 1a99 s VAL 325 Cb 0.18 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 1a99 s VAL 325 CO 0.58 0.28 0.74 -1.54 0.00 0.00 0.00 175.10 175.16 1a99 n SER 326 N 2.53 -0.04 0.19 3.32 3.41 -1.26 -4.63 113.62 117.14 1a99 n SER 326 Ca 0.03 0.89 0.03 0.00 -0.26 0.00 0.00 58.87 59.56 1a99 n SER 326 Cb 0.47 -1.24 0.42 0.00 -0.26 0.00 0.00 64.21 63.59 1a99 n SER 326 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a99 h ALA 327 N 0.83 1.53 -0.25 7.33 0.00 -1.94 -0.46 119.26 126.29 1a99 h ALA 327 Ca -0.44 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 1a99 h ALA 327 Cb 1.38 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1a99 h ALA 327 CO 0.52 0.35 -0.06 1.05 0.00 0.00 0.00 179.25 181.11 1a99 h GLU 328 N 0.04 0.40 0.00 0.00 4.11 -1.96 0.55 114.58 117.72 1a99 h GLU 328 Ca 0.01 -0.09 -0.09 0.00 0.07 0.00 0.00 59.36 59.26 1a99 h GLU 328 Cb 0.48 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1a99 h GLU 328 CO 0.03 0.47 -0.52 0.28 0.07 0.00 0.00 179.01 179.35 1a99 h VAL 329 N 0.38 1.06 0.00 -1.06 2.07 -1.80 -3.29 116.25 113.61 1a99 h VAL 329 Ca 0.08 -1.97 -0.00 0.00 0.82 0.00 0.00 66.70 65.62 1a99 h VAL 329 Cb 0.35 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1a99 h VAL 329 CO 0.02 0.36 -0.02 -0.09 0.02 0.00 0.00 177.57 177.85 1a99 h ARG 330 N -1.00 0.00 -0.23 1.57 2.43 -1.09 -2.46 114.38 113.60 1a99 h ARG 330 Ca -0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1a99 h ARG 330 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1a99 h ARG 330 CO -0.08 0.02 0.00 0.39 -1.51 0.00 0.00 179.97 178.80 1a99 n GLU 331 N -4.31 2.14 -2.88 0.20 -0.58 0.18 -4.71 120.64 110.68 1a99 n GLU 331 Ca -0.03 -1.70 -0.42 0.00 -0.42 0.00 0.00 57.16 54.59 1a99 n GLU 331 Cb 0.11 -1.46 -0.04 0.00 -0.57 0.00 0.00 31.44 29.48 1a99 n GLU 331 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1a99 s ASN 332 N -1.63 6.68 0.17 1.62 3.84 -0.93 -4.92 114.94 119.77 1a99 s ASN 332 Ca 0.35 0.63 0.15 0.00 0.21 0.00 0.00 52.86 54.20 1a99 s ASN 332 Cb 0.20 -2.43 0.73 0.00 -0.55 0.00 0.00 41.25 39.20 1a99 s ASN 332 CO 0.30 -0.73 1.47 -0.81 -2.79 0.00 0.00 177.10 174.54 1a99 n PRO 333 N 6.46 0.09 -0.08 0.43 -0.04 -1.26 -0.93 135.00 139.67 1a99 n PRO 333 Ca 0.05 0.49 0.12 0.00 -0.04 0.00 0.00 63.50 64.12 1a99 n PRO 333 Cb 0.48 -1.74 0.32 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.82 0.69 0.66 0.55 0.00 -1.26 -2.97 105.19 102.04 1a99 n GLY 334 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.74 0.00 -3.88 -0.61 5.41 -0.26 -4.83 119.36 115.93 1a99 n ILE 335 Ca 0.17 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.63 1a99 n ILE 335 Cb 0.44 -1.08 -0.13 0.00 -0.71 0.00 0.00 39.64 38.17 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 -1.98 3.22 0.40 1.39 2.02 -0.11 -4.27 117.35 118.02 1a99 s TYR 336 Ca 0.00 -3.18 -0.25 0.00 -0.37 0.00 0.00 57.07 53.27 1a99 s TYR 336 Cb 0.00 -2.59 -0.08 0.00 -0.40 0.00 0.00 41.96 38.88 1a99 s TYR 336 CO 0.00 -0.63 1.14 -1.25 -1.57 0.00 0.00 175.55 173.24 1a99 s PRO 337 N -0.91 4.07 0.98 -1.71 0.04 -1.16 -4.18 135.00 132.14 1a99 s PRO 337 Ca 0.22 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.91 1a99 s PRO 337 Cb -0.12 -2.64 0.18 0.00 0.04 0.00 0.00 34.50 31.96 1a99 s PRO 337 CO -0.11 -0.28 1.08 -1.25 0.04 0.00 0.00 177.00 176.48 1a99 s PRO 338 N -2.34 0.52 0.38 0.56 0.04 -1.26 -4.73 135.00 128.17 1a99 s PRO 338 Ca 0.57 0.95 0.08 0.00 0.04 0.00 0.00 61.00 62.64 1a99 s PRO 338 Cb -0.29 -1.71 0.82 0.00 0.04 0.00 0.00 34.50 33.36 1a99 s PRO 338 CO 0.36 -2.78 1.97 0.00 0.04 0.00 0.00 177.00 176.58 1a99 h ALA 339 N -1.95 1.79 0.00 8.56 0.00 -1.98 -1.49 119.26 124.18 1a99 h ALA 339 Ca -0.52 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 1a99 h ALA 339 Cb 1.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1a99 h ALA 339 CO 0.51 0.10 -0.40 0.38 0.00 0.00 0.00 179.25 179.84 1a99 h ASP 340 N 0.65 0.00 0.61 0.00 2.03 -2.00 -1.92 116.42 115.79 1a99 h ASP 340 Ca 0.30 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.32 1a99 h ASP 340 Cb 0.32 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.80 1a99 h ASP 340 CO -0.10 0.40 -1.42 0.58 -1.03 0.00 0.00 179.24 177.67 1a99 h VAL 341 N 0.00 1.26 0.00 4.15 2.07 -1.74 -3.23 116.25 118.76 1a99 h VAL 341 Ca -0.00 -2.95 -0.02 0.00 0.82 0.00 0.00 66.70 64.55 1a99 h VAL 341 Cb 0.83 2.73 -0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1a99 h VAL 341 CO 0.05 0.80 -0.07 0.03 0.02 0.00 0.00 177.57 178.40 1a99 h ARG 342 N 0.04 0.00 -0.14 1.57 3.08 -1.10 -2.26 114.38 115.57 1a99 h ARG 342 Ca -0.19 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.76 1a99 h ARG 342 Cb 1.95 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.99 1a99 h ARG 342 CO 0.14 0.07 -0.36 0.00 -1.07 0.00 0.00 179.97 178.76 1a99 h ALA 343 N 1.93 1.14 -0.30 0.04 0.00 -1.36 -3.03 119.26 117.67 1a99 h ALA 343 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1a99 h ALA 343 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1a99 h ALA 343 CO 0.01 0.56 0.00 1.63 0.00 0.00 0.00 179.25 181.45 1a99 n LYS 344 N -4.07 2.50 -4.10 0.00 5.02 -0.85 -4.93 118.16 111.74 1a99 n LYS 344 Ca -0.01 -1.41 -0.26 0.00 -2.02 0.00 0.00 58.31 54.61 1a99 n LYS 344 Cb 0.45 -1.67 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.20 3.76 0.15 -0.35 1.43 -1.15 -3.16 118.68 118.16 1a99 s LEU 345 Ca 0.25 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1a99 s LEU 345 Cb 0.17 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1a99 s LEU 345 CO 0.10 0.06 -0.01 0.72 0.23 0.00 0.00 176.35 177.45 1a99 s PHE 346 N -1.81 1.10 0.20 0.29 -0.12 -0.54 -4.94 117.98 112.16 1a99 s PHE 346 Ca 0.31 -1.02 0.10 0.00 -0.05 0.00 0.00 56.93 56.27 1a99 s PHE 346 Cb -0.10 -0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 41.62 1a99 s PHE 346 CO 0.23 -0.23 -0.20 0.95 -0.05 0.00 0.00 175.22 175.92 1a99 s THR 347 N -3.69 2.12 0.49 -4.49 -4.23 -1.26 -0.30 115.64 104.27 1a99 s THR 347 Ca 0.21 -2.06 -0.20 0.00 -1.18 0.00 0.00 61.69 58.46 1a99 s THR 347 Cb 0.06 -2.03 -0.08 0.00 1.34 0.00 0.00 72.50 71.79 1a99 s THR 347 CO 0.02 -0.27 1.05 -0.76 -0.54 0.00 0.00 174.62 174.12 1a99 s LEU 348 N -2.84 3.86 0.23 4.79 1.43 -1.26 -4.93 118.68 119.96 1a99 s LEU 348 Ca 0.20 1.97 0.12 0.00 -1.03 0.00 0.00 54.13 55.39 1a99 s LEU 348 Cb -0.06 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.58 1a99 s LEU 348 CO 0.09 -0.82 -0.22 -0.54 0.23 0.00 0.00 176.35 175.10 1a99 s LYS 349 N -3.19 1.61 0.23 1.70 1.02 -1.26 -4.82 119.74 115.03 1a99 s LYS 349 Ca 0.67 -1.63 -0.30 0.00 0.02 0.00 0.00 55.97 54.73 1a99 s LYS 349 Cb -0.18 -1.82 -0.09 0.00 -0.52 0.00 0.00 37.83 35.23 1a99 s LYS 349 CO 0.21 0.37 0.96 0.08 -0.92 0.00 0.00 175.35 176.05 1a99 s VAL 350 N -2.06 4.06 0.17 3.17 1.01 -1.26 -5.05 120.40 120.44 1a99 s VAL 350 Ca 0.25 2.02 0.05 0.00 0.00 0.00 0.00 61.98 64.30 1a99 s VAL 350 Cb -0.07 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1a99 s VAL 350 CO 0.12 0.46 0.16 -1.10 0.00 0.00 0.00 175.10 174.74 1a99 s GLN 351 N -1.05 2.95 1.02 2.72 -1.52 -1.26 -5.12 119.66 117.40 1a99 s GLN 351 Ca 0.42 -0.87 -0.12 0.00 -1.95 0.00 0.00 55.36 52.84 1a99 s GLN 351 Cb -0.26 -2.66 0.20 0.00 -0.22 0.00 0.00 33.01 30.06 1a99 s GLN 351 CO 0.33 0.48 1.08 0.16 -0.25 0.00 0.00 175.29 177.08 1a99 s ASP 352 N -3.20 2.40 0.52 5.90 1.47 -1.26 -4.77 116.67 117.73 1a99 s ASP 352 Ca 0.31 1.37 0.16 0.00 1.18 0.00 0.00 52.55 55.57 1a99 s ASP 352 Cb -0.10 -2.05 1.27 0.00 -0.34 0.00 0.00 42.92 41.69 1a99 s ASP 352 CO 0.24 -3.29 2.15 -0.65 0.68 0.00 0.00 175.17 174.29 1a99 h PRO 353 N -2.00 0.01 0.62 2.11 0.11 -1.99 -1.98 132.00 128.87 1a99 h PRO 353 Ca -0.55 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 1a99 h PRO 353 Cb 1.32 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.43 1a99 h PRO 353 CO 0.55 0.01 -0.30 -0.22 -0.21 0.00 0.00 178.00 177.83 1a99 h LYS 354 N 0.01 -0.80 -0.92 1.05 3.64 -1.99 -0.49 116.57 117.06 1a99 h LYS 354 Ca 0.00 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.59 1a99 h LYS 354 Cb 0.01 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 31.93 1a99 h LYS 354 CO -0.00 -0.49 0.59 0.82 -2.27 0.00 0.00 179.45 178.10 1a99 h ILE 355 N -1.14 0.81 0.10 2.00 1.08 -1.90 -0.23 117.51 118.22 1a99 h ILE 355 Ca -0.08 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1a99 h ILE 355 Cb 0.67 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.46 1a99 h ILE 355 CO 0.14 0.13 -0.05 -0.78 -0.69 0.00 0.00 178.15 176.90 1a99 h ASP 356 N 0.70 -0.11 -0.38 1.72 3.58 -1.21 -0.31 116.42 120.42 1a99 h ASP 356 Ca 0.48 -0.09 0.02 0.00 0.42 0.00 0.00 57.03 57.86 1a99 h ASP 356 Cb 0.78 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.83 1a99 h ASP 356 CO -0.23 0.02 0.21 -0.09 -2.88 0.00 0.00 179.24 176.26 1a99 h ARG 357 N -0.23 0.42 0.28 0.28 2.43 -0.17 -1.59 114.38 115.80 1a99 h ARG 357 Ca -0.01 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1a99 h ARG 357 Cb 0.19 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1a99 h ARG 357 CO 0.02 0.27 -0.17 0.28 -1.51 0.00 0.00 179.97 178.87 1a99 h VAL 358 N 0.43 0.65 -0.96 0.20 2.07 -0.97 -0.53 116.25 117.13 1a99 h VAL 358 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1a99 h VAL 358 Cb 0.03 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1a99 h VAL 358 CO -0.08 0.00 0.60 -0.09 0.02 0.00 0.00 177.57 178.02 1a99 h ARG 359 N -0.43 1.29 -0.18 1.57 2.43 -0.95 0.12 114.38 118.23 1a99 h ARG 359 Ca -0.03 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 1a99 h ARG 359 Cb 0.35 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1a99 h ARG 359 CO 0.04 0.88 0.05 1.15 -1.51 0.00 0.00 179.97 180.58 1a99 h THR 360 N 1.32 1.20 0.06 0.20 2.02 -1.14 0.17 112.91 116.74 1a99 h THR 360 Ca 0.35 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.91 1a99 h THR 360 Cb -0.09 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1a99 h THR 360 CO -0.07 0.19 -0.12 -0.09 0.37 0.00 0.00 175.52 175.80 1a99 h ARG 361 N 0.11 -0.23 -1.01 6.66 2.43 -0.76 -1.74 114.38 119.83 1a99 h ARG 361 Ca 0.06 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 1a99 h ARG 361 Cb 0.26 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.79 1a99 h ARG 361 CO -0.00 -0.15 0.65 0.00 -1.51 0.00 0.00 179.97 178.95 1a99 h ALA 362 N 0.67 1.44 -0.65 2.80 0.00 -0.64 -2.21 119.26 120.67 1a99 h ALA 362 Ca 0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1a99 h ALA 362 Cb 0.26 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1a99 h ALA 362 CO -0.07 0.38 0.08 2.35 0.00 0.00 0.00 179.25 181.99 1a99 h TRP 363 N 1.13 1.17 -0.80 0.00 2.91 -0.52 -1.39 115.95 118.45 1a99 h TRP 363 Ca 0.45 -0.17 -0.04 0.00 1.13 0.00 0.00 58.89 60.26 1a99 h TRP 363 Cb 0.27 -0.32 -0.04 0.00 -0.51 0.00 0.00 29.16 28.56 1a99 h TRP 363 CO -0.00 0.99 0.32 1.15 -1.03 0.00 0.00 178.44 179.87 1a99 h THR 364 N 1.02 1.26 0.54 2.65 2.02 -0.74 -1.18 112.91 118.49 1a99 h THR 364 Ca 0.20 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 1a99 h THR 364 Cb 0.47 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1a99 h THR 364 CO 0.02 0.33 -0.29 0.50 0.37 0.00 0.00 175.52 176.46 1a99 h LYS 365 N 1.16 -0.74 -0.58 6.66 3.64 -1.13 -1.97 116.57 123.61 1a99 h LYS 365 Ca 0.27 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.78 1a99 h LYS 365 Cb 0.21 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.13 1a99 h LYS 365 CO -0.02 -0.49 0.23 0.28 -2.27 0.00 0.00 179.45 177.18 1a99 h VAL 366 N -0.77 0.82 0.02 2.00 2.07 -1.06 -3.01 116.25 116.32 1a99 h VAL 366 Ca -0.07 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1a99 h VAL 366 Cb 0.60 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1a99 h VAL 366 CO 0.10 0.08 -0.01 0.11 0.02 0.00 0.00 177.57 177.87 1a99 h LYS 367 N 0.43 -0.02 -1.00 1.57 1.57 -1.16 -3.24 116.57 114.73 1a99 h LYS 367 Ca 0.28 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 59.28 1a99 h LYS 367 Cb 0.31 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.51 1a99 h LYS 367 CO -0.27 0.35 0.60 0.66 -0.57 0.00 0.00 179.45 180.22 1a99 h SER 368 N -0.40 0.73 0.00 0.86 4.64 -1.28 -3.51 113.55 114.58 1a99 h SER 368 Ca -0.00 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1a99 h SER 368 Cb 0.39 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1a99 h SER 368 CO 0.00 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 176.77