#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ag1 s LYS 3 N 0.00 3.16 0.76 -1.46 1.02 -1.26 -5.09 119.74 116.87 1ag1 s LYS 3 Ca 0.00 -0.85 -0.11 0.00 0.02 0.00 0.00 55.97 55.03 1ag1 s LYS 3 Cb 0.00 -2.75 0.04 0.00 -0.52 0.00 0.00 37.83 34.61 1ag1 s LYS 3 CO 0.00 0.45 1.09 -1.25 -0.92 0.00 0.00 175.35 174.71 1ag1 s PRO 4 N -3.62 2.43 -0.22 -1.68 0.04 -1.26 -4.86 135.00 125.83 1ag1 s PRO 4 Ca 0.33 0.70 -0.36 0.00 0.04 0.00 0.00 61.00 61.71 1ag1 s PRO 4 Cb -0.09 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 1ag1 s PRO 4 CO 0.26 -1.39 1.93 0.94 0.04 0.00 0.00 177.00 178.78 1ag1 n GLN 5 N -3.29 1.58 -0.63 4.56 7.27 -1.26 -4.91 117.38 120.71 1ag1 n GLN 5 Ca 0.07 0.55 -0.28 0.00 0.07 0.00 0.00 57.00 57.41 1ag1 n GLN 5 Cb 0.56 -2.45 0.25 0.00 2.41 0.00 0.00 30.24 31.01 1ag1 n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1ag1 s PRO 6 N 4.51 -0.93 -0.01 3.69 0.04 -1.26 -4.86 135.00 136.18 1ag1 s PRO 6 Ca 0.99 0.72 0.01 0.00 0.04 0.00 0.00 61.00 62.76 1ag1 s PRO 6 Cb -0.84 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1ag1 s PRO 6 CO 0.55 -3.70 -0.05 0.42 0.04 0.00 0.00 177.00 174.27 1ag1 s ILE 7 N -2.53 0.41 -0.37 0.56 1.01 -0.67 -2.40 121.20 117.21 1ag1 s ILE 7 Ca 0.68 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 61.16 1ag1 s ILE 7 Cb -0.24 -0.37 0.12 0.00 0.01 0.00 0.00 42.46 41.98 1ag1 s ILE 7 CO 0.64 0.14 0.16 0.00 0.00 0.00 0.00 174.94 175.87 1ag1 s ALA 8 N 0.13 1.88 -0.22 9.38 0.00 -0.96 0.40 121.76 132.37 1ag1 s ALA 8 Ca -0.01 -2.15 -0.09 0.00 0.00 0.00 0.00 51.96 49.71 1ag1 s ALA 8 Cb -0.05 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 1ag1 s ALA 8 CO -0.00 -1.86 0.12 0.00 0.00 0.00 0.00 175.76 174.02 1ag1 s ALA 9 N 0.99 3.52 -0.40 0.00 0.00 0.01 -2.08 121.76 123.81 1ag1 s ALA 9 Ca 0.14 -0.87 -0.24 0.00 0.00 0.00 0.00 51.96 50.99 1ag1 s ALA 9 Cb -0.21 -2.19 0.02 0.00 0.00 0.00 0.00 23.12 20.74 1ag1 s ALA 9 CO -0.12 -0.12 0.81 0.00 0.00 0.00 0.00 175.76 176.33 1ag1 s ALA 10 N 0.91 3.37 -0.50 0.00 0.00 0.25 -0.70 121.76 125.10 1ag1 s ALA 10 Ca 0.06 -0.75 -0.13 0.00 0.00 0.00 0.00 51.96 51.15 1ag1 s ALA 10 Cb -0.13 -3.43 0.12 0.00 0.00 0.00 0.00 23.12 19.67 1ag1 s ALA 10 CO 0.03 -1.67 0.41 1.21 0.00 0.00 0.00 175.76 175.74 1ag1 s ASN 11 N 1.97 5.95 0.04 0.00 2.47 0.01 -0.04 114.94 125.33 1ag1 s ASN 11 Ca 0.32 -1.77 0.20 0.00 0.42 0.00 0.00 52.86 52.03 1ag1 s ASN 11 Cb -0.12 -2.11 0.83 0.00 -1.45 0.00 0.00 41.25 38.40 1ag1 s ASN 11 CO 0.20 -0.75 1.63 0.79 -3.72 0.00 0.00 177.10 175.25 1ag1 n TRP 12 N 5.08 0.14 -3.67 0.43 8.01 -0.81 -4.29 117.44 122.33 1ag1 n TRP 12 Ca -0.11 0.05 0.00 0.00 -1.31 0.00 0.00 57.50 56.13 1ag1 n TRP 12 Cb 0.41 -0.58 0.00 0.00 -2.01 0.00 0.00 31.31 29.13 1ag1 n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1ag1 n LYS 13 N -1.63 0.00 -3.14 -0.99 5.02 -1.26 -3.40 118.16 112.76 1ag1 n LYS 13 Ca 0.04 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.89 1ag1 n LYS 13 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 1ag1 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ag1 s ASN 15 N 0.96 -0.47 0.00 0.00 0.01 -1.22 -5.16 114.94 109.07 1ag1 s ASN 15 Ca 0.34 -0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.38 1ag1 s ASN 15 Cb -0.05 0.56 0.00 0.00 0.41 0.00 0.00 41.25 42.18 1ag1 s ASN 15 CO -0.02 -0.94 0.00 0.61 -1.51 0.00 0.00 177.10 175.23 1ag1 n GLY 16 N -0.34 0.94 3.25 0.66 0.00 -1.26 -4.79 105.19 103.65 1ag1 n GLY 16 Ca -0.16 -2.22 -0.10 0.00 0.00 0.00 0.00 46.02 43.54 1ag1 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ag1 s SER 17 N 0.00 0.16 0.33 1.61 1.04 -1.26 -5.02 113.70 110.57 1ag1 s SER 17 Ca 0.00 -1.18 0.03 0.00 0.48 0.00 0.00 55.95 55.28 1ag1 s SER 17 Cb 0.00 0.38 0.59 0.00 0.10 0.00 0.00 66.02 67.09 1ag1 s SER 17 CO 0.00 -0.84 1.90 1.56 0.98 0.00 0.00 173.24 176.84 1ag1 h GLN 18 N 2.66 0.63 0.01 4.02 4.20 -2.00 -2.63 115.11 122.01 1ag1 h GLN 18 Ca -0.34 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.21 1ag1 h GLN 18 Cb 1.23 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1ag1 h GLN 18 CO 0.53 0.58 -0.20 -0.56 -0.67 0.00 0.00 178.83 178.50 1ag1 h GLN 19 N 0.62 0.11 -0.32 1.46 -0.00 -1.99 -2.56 115.11 112.43 1ag1 h GLN 19 Ca 0.14 -0.14 0.04 0.00 -0.00 0.00 0.00 58.65 58.70 1ag1 h GLN 19 Cb 0.23 0.04 -0.04 0.00 -0.00 0.00 0.00 27.48 27.71 1ag1 h GLN 19 CO -0.00 0.95 0.08 0.66 -0.00 0.00 0.00 178.83 180.51 1ag1 h SER 20 N -0.66 0.05 -0.77 0.06 4.64 -1.95 -2.34 113.55 112.58 1ag1 h SER 20 Ca -0.03 0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1ag1 h SER 20 Cb 1.03 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.13 1ag1 h SER 20 CO 0.04 0.06 0.49 -0.07 -0.87 0.00 0.00 176.83 176.48 1ag1 h LEU 21 N 0.20 0.82 -0.62 5.97 3.38 -1.59 -2.75 115.31 120.72 1ag1 h LEU 21 Ca 0.15 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ag1 h LEU 21 Cb 0.15 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1ag1 h LEU 21 CO -0.18 0.57 0.37 0.28 0.09 0.00 0.00 178.44 179.57 1ag1 h SER 22 N 0.97 0.75 0.00 -0.43 0.02 -1.21 -1.31 113.55 112.33 1ag1 h SER 22 Ca 0.30 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1ag1 h SER 22 Cb -0.01 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1ag1 h SER 22 CO -0.10 0.59 -0.23 -0.33 -1.14 0.00 0.00 176.83 175.62 1ag1 h GLU 23 N 0.83 -0.28 -0.99 3.45 5.08 -1.14 0.13 114.58 121.66 1ag1 h GLU 23 Ca 0.22 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.80 1ag1 h GLU 23 Cb -0.01 0.06 -0.19 0.00 0.50 0.00 0.00 28.75 29.11 1ag1 h GLU 23 CO -0.04 -0.19 -0.24 -0.07 -1.00 0.00 0.00 179.01 177.47 1ag1 h LEU 24 N -0.29 -0.91 -0.98 1.33 -0.00 -1.25 0.40 115.31 113.61 1ag1 h LEU 24 Ca 0.00 0.30 -0.05 0.00 -0.00 0.00 0.00 57.88 58.13 1ag1 h LEU 24 Cb 0.31 0.61 -0.03 0.00 -0.00 0.00 0.00 40.66 41.55 1ag1 h LEU 24 CO -0.15 -0.33 0.16 0.40 -0.00 0.00 0.00 178.44 178.52 1ag1 h ILE 25 N 0.00 1.23 -0.44 1.22 2.04 -0.61 0.13 117.51 121.08 1ag1 h ILE 25 Ca 0.48 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 1ag1 h ILE 25 Cb 0.73 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1ag1 h ILE 25 CO -1.02 0.31 0.05 0.44 0.00 0.00 0.00 178.15 177.93 1ag1 h ASP 26 N 0.86 0.71 -0.05 1.72 3.32 0.25 -0.21 116.42 123.03 1ag1 h ASP 26 Ca 0.19 -0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.00 1ag1 h ASP 26 Cb 0.29 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 1ag1 h ASP 26 CO -0.00 0.81 -0.30 0.25 -1.72 0.00 0.00 179.24 178.27 1ag1 h LEU 27 N 0.59 -0.92 -0.64 1.55 5.85 -0.57 -0.88 115.31 120.29 1ag1 h LEU 27 Ca 0.13 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1ag1 h LEU 27 Cb 0.42 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1ag1 h LEU 27 CO 0.01 -0.36 0.42 -0.26 -0.34 0.00 0.00 178.44 177.91 1ag1 h PHE 28 N -0.42 0.82 0.00 1.25 0.04 -0.60 -2.19 116.94 115.83 1ag1 h PHE 28 Ca 0.08 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 1ag1 h PHE 28 Cb 0.54 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 1ag1 h PHE 28 CO -0.35 0.52 -0.16 -0.91 -0.60 0.00 0.00 178.31 176.81 1ag1 h ASN 29 N 0.87 0.00 1.07 2.17 2.35 -0.55 -1.35 115.58 120.14 1ag1 h ASN 29 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1ag1 h ASN 29 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1ag1 h ASN 29 CO -0.05 0.16 -0.23 -1.20 -1.65 0.00 0.00 177.43 174.46 1ag1 n SER 30 N -4.32 0.55 -4.78 5.81 7.64 -0.38 -4.77 113.62 113.37 1ag1 n SER 30 Ca -0.02 0.33 -0.35 0.00 1.01 0.00 0.00 58.87 59.83 1ag1 n SER 30 Cb 0.23 -0.33 -0.02 0.00 -1.01 0.00 0.00 64.21 63.08 1ag1 n SER 30 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ag1 s THR 31 N -3.08 3.45 -0.13 0.44 2.01 -0.51 -5.03 115.64 112.79 1ag1 s THR 31 Ca 0.10 0.92 0.00 0.00 0.31 0.00 0.00 61.69 63.02 1ag1 s THR 31 Cb 0.15 -3.38 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 1ag1 s THR 31 CO 0.63 -0.18 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.79 1ag1 s SER 32 N -1.84 3.92 -0.27 3.53 0.01 -1.26 -5.04 113.70 112.74 1ag1 s SER 32 Ca 0.70 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.58 1ag1 s SER 32 Cb -0.21 -1.59 0.09 0.00 0.21 0.00 0.00 66.02 64.52 1ag1 s SER 32 CO 0.24 0.16 0.09 0.27 0.41 0.00 0.00 173.24 174.42 1ag1 s ILE 33 N 0.35 0.48 0.12 1.44 -4.36 -1.26 -4.98 121.20 112.99 1ag1 s ILE 33 Ca -0.12 -0.98 0.11 0.00 -0.26 0.00 0.00 60.65 59.40 1ag1 s ILE 33 Cb -0.16 -1.29 -0.06 0.00 1.25 0.00 0.00 42.46 42.20 1ag1 s ILE 33 CO 0.06 -0.58 1.47 -0.55 0.24 0.00 0.00 174.94 175.58 1ag1 h ASN 34 N 8.23 0.00 -2.46 4.36 7.08 -2.02 -3.46 115.58 127.31 1ag1 h ASN 34 Ca -0.16 0.00 -0.44 0.00 -3.08 0.00 0.00 56.30 52.62 1ag1 h ASN 34 Cb 1.04 0.00 0.05 0.00 -2.08 0.00 0.00 38.32 37.33 1ag1 h ASN 34 CO 0.43 0.72 -0.01 -1.38 -2.08 0.00 0.00 177.43 175.11 1ag1 s HIS 35 N -3.13 2.63 -0.46 4.14 -3.43 -1.26 -5.04 115.29 108.74 1ag1 s HIS 35 Ca 0.01 -0.06 -0.28 0.00 -0.80 0.00 0.00 55.06 53.93 1ag1 s HIS 35 Cb 0.10 -2.80 0.03 0.00 -1.43 0.00 0.00 32.58 28.49 1ag1 s HIS 35 CO 0.77 -1.03 1.09 0.34 -2.00 0.00 0.00 174.74 173.91 1ag1 s ASP 36 N -4.48 6.63 -0.14 7.38 2.15 -1.26 -4.98 116.67 121.96 1ag1 s ASP 36 Ca 0.59 0.44 -0.27 0.00 0.43 0.00 0.00 52.55 53.74 1ag1 s ASP 36 Cb -0.09 -2.53 0.07 0.00 -0.30 0.00 0.00 42.92 40.06 1ag1 s ASP 36 CO 0.40 -1.18 0.67 0.54 -0.17 0.00 0.00 175.17 175.42 1ag1 s VAL 37 N 4.24 0.00 -0.26 1.11 0.11 -1.26 -4.40 120.40 119.94 1ag1 s VAL 37 Ca 0.45 -0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.41 1ag1 s VAL 37 Cb -0.08 -0.96 -0.02 0.00 -1.53 0.00 0.00 36.38 33.79 1ag1 s VAL 37 CO 0.29 -0.01 0.07 -1.58 -3.33 0.00 0.00 175.10 170.54 1ag1 s GLN 38 N -0.49 3.52 -0.04 1.54 2.00 -1.01 -4.95 119.66 120.23 1ag1 s GLN 38 Ca -0.06 -0.57 -0.05 0.00 -2.00 0.00 0.00 55.36 52.68 1ag1 s GLN 38 Cb -0.02 -3.32 -0.04 0.00 0.80 0.00 0.00 33.01 30.43 1ag1 s GLN 38 CO 0.06 -0.25 0.18 0.00 -0.50 0.00 0.00 175.29 174.78 1ag1 s VAL 40 N -1.22 0.99 -0.25 0.00 1.01 -0.88 -0.42 120.40 119.62 1ag1 s VAL 40 Ca 0.23 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1ag1 s VAL 40 Cb -0.13 -0.83 0.04 0.00 0.00 0.00 0.00 36.38 35.46 1ag1 s VAL 40 CO 0.13 0.28 -0.09 -0.69 0.00 0.00 0.00 175.10 174.74 1ag1 s VAL 41 N -0.20 2.50 -0.55 2.92 1.01 0.30 0.88 120.40 127.25 1ag1 s VAL 41 Ca 0.03 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 60.56 1ag1 s VAL 41 Cb -0.06 -2.35 0.14 0.00 0.00 0.00 0.00 36.38 34.11 1ag1 s VAL 41 CO -0.00 0.10 0.48 0.00 0.00 0.00 0.00 175.10 175.68 1ag1 s ALA 42 N 1.22 3.61 0.47 5.51 0.00 0.94 -1.20 121.76 132.30 1ag1 s ALA 42 Ca -0.04 -2.64 0.02 0.00 0.00 0.00 0.00 51.96 49.30 1ag1 s ALA 42 Cb -0.18 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1ag1 s ALA 42 CO -0.05 -2.01 0.67 -1.54 0.00 0.00 0.00 175.76 172.83 1ag1 s SER 43 N 3.07 5.62 0.83 0.00 1.04 -1.23 -1.93 113.70 121.10 1ag1 s SER 43 Ca 0.06 0.03 -0.11 0.00 0.48 0.00 0.00 55.95 56.41 1ag1 s SER 43 Cb -0.26 -1.15 0.09 0.00 0.10 0.00 0.00 66.02 64.80 1ag1 s SER 43 CO 0.00 -0.84 1.14 0.42 0.98 0.00 0.00 173.24 174.95 1ag1 s THR 44 N -2.56 2.51 0.55 2.02 -4.23 -1.26 -4.32 115.64 108.35 1ag1 s THR 44 Ca 0.52 0.18 0.22 0.00 -1.18 0.00 0.00 61.69 61.43 1ag1 s THR 44 Cb -0.10 -2.46 0.32 0.00 1.34 0.00 0.00 72.50 71.60 1ag1 s THR 44 CO 0.37 -0.20 2.15 -0.26 -0.54 0.00 0.00 174.62 176.14 1ag1 h PHE 45 N -1.28 0.00 -0.13 3.99 0.04 -1.95 -2.24 116.94 115.36 1ag1 h PHE 45 Ca -0.44 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.24 1ag1 h PHE 45 Cb 1.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.40 1ag1 h PHE 45 CO 0.52 0.00 -0.33 0.28 -0.60 0.00 0.00 178.31 178.18 1ag1 h VAL 46 N 0.00 1.27 -0.57 -0.55 2.07 -2.02 -2.95 116.25 113.50 1ag1 h VAL 46 Ca 0.04 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1ag1 h VAL 46 Cb 0.19 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1ag1 h VAL 46 CO -0.00 0.40 0.00 1.41 0.02 0.00 0.00 177.57 179.40 1ag1 n HIS 47 N -4.09 1.55 0.17 1.57 8.25 -0.85 -4.42 115.22 117.39 1ag1 n HIS 47 Ca -0.01 -0.67 0.02 0.00 -0.26 0.00 0.00 57.72 56.79 1ag1 n HIS 47 Cb 0.42 -0.32 0.32 0.00 1.12 0.00 0.00 29.99 31.52 1ag1 n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1ag1 h LEU 48 N 3.68 0.00 0.92 2.41 3.38 -1.40 -2.80 115.31 121.51 1ag1 h LEU 48 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1ag1 h LEU 48 Cb 1.58 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.34 1ag1 h LEU 48 CO 0.30 0.43 -0.44 0.00 0.09 0.00 0.00 178.44 178.81 1ag1 h ALA 49 N 1.57 -1.26 -0.30 1.53 0.00 -1.81 -2.06 119.26 116.93 1ag1 h ALA 49 Ca -0.00 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1ag1 h ALA 49 Cb 0.77 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1ag1 h ALA 49 CO 0.06 -1.17 -0.33 1.98 0.00 0.00 0.00 179.25 179.78 1ag1 h MET 50 N -1.31 -0.30 -0.01 0.00 1.85 -1.87 -0.05 114.93 113.24 1ag1 h MET 50 Ca -0.13 0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.01 1ag1 h MET 50 Cb 0.95 0.07 -0.03 0.00 0.43 0.00 0.00 31.60 33.02 1ag1 h MET 50 CO 0.21 -0.20 -0.13 1.15 -0.40 0.00 0.00 176.91 177.54 1ag1 h THR 51 N -0.31 0.68 0.00 -0.77 2.02 -1.56 0.55 112.91 113.52 1ag1 h THR 51 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1ag1 h THR 51 Cb 0.54 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1ag1 h THR 51 CO -0.47 0.00 -0.06 0.50 0.37 0.00 0.00 175.52 175.86 1ag1 h LYS 52 N -0.21 0.00 0.16 6.66 3.64 -0.97 1.27 116.57 127.12 1ag1 h LYS 52 Ca 0.05 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.09 1ag1 h LYS 52 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1ag1 h LYS 52 CO -0.14 0.06 -1.72 1.05 -2.27 0.00 0.00 179.45 176.43 1ag1 h GLU 53 N 0.00 0.33 0.04 1.90 4.11 0.20 -3.39 114.58 117.77 1ag1 h GLU 53 Ca -0.00 -0.57 -0.28 0.00 0.07 0.00 0.00 59.36 58.59 1ag1 h GLU 53 Cb 0.12 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1ag1 h GLU 53 CO 0.01 1.27 -1.49 -0.09 0.07 0.00 0.00 179.01 178.78 1ag1 h ARG 54 N -0.01 0.09 -6.26 1.06 2.43 0.40 -3.45 114.38 108.65 1ag1 h ARG 54 Ca -0.35 -0.16 -0.58 0.00 -0.81 0.00 0.00 59.98 58.08 1ag1 h ARG 54 Cb 2.00 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 31.58 1ag1 h ARG 54 CO 0.13 0.86 1.29 -1.17 -1.51 0.00 0.00 179.97 179.56 1ag1 s LEU 55 N -6.59 3.51 -0.00 3.80 1.98 0.43 -4.84 118.68 116.97 1ag1 s LEU 55 Ca -0.06 1.36 0.10 0.00 -2.89 0.00 0.00 54.13 52.65 1ag1 s LEU 55 Cb 0.08 -3.53 -0.13 0.00 0.66 0.00 0.00 46.19 43.28 1ag1 s LEU 55 CO 0.83 -1.70 0.37 -1.54 -1.89 0.00 0.00 176.35 172.41 1ag1 n SER 56 N 10.29 1.19 -4.68 3.68 3.41 -1.26 -4.87 113.62 121.39 1ag1 n SER 56 Ca 0.23 -0.49 -0.45 0.00 -0.26 0.00 0.00 58.87 57.90 1ag1 n SER 56 Cb 0.46 1.17 -0.04 0.00 -0.26 0.00 0.00 64.21 65.54 1ag1 n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1ag1 n HIS 57 N -1.46 2.34 0.35 7.33 -0.00 -1.26 -4.85 115.22 117.67 1ag1 n HIS 57 Ca 0.01 0.23 0.14 0.00 -0.00 0.00 0.00 57.72 58.10 1ag1 n HIS 57 Cb 0.20 -2.56 0.58 0.00 -0.00 0.00 0.00 29.99 28.21 1ag1 n HIS 57 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ag1 h PRO 58 N 6.09 0.00 -0.06 1.57 0.13 -1.96 -2.88 132.00 134.89 1ag1 h PRO 58 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ag1 h PRO 58 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ag1 h PRO 58 CO 0.90 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.30 1ag1 n LYS 59 N -2.54 1.89 -4.17 0.86 5.02 -1.26 -4.90 118.16 113.07 1ag1 n LYS 59 Ca 0.01 -1.30 -0.28 0.00 -2.02 0.00 0.00 58.31 54.72 1ag1 n LYS 59 Cb 0.24 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.71 1ag1 n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ag1 s PHE 60 N -1.94 2.92 0.08 2.13 0.40 -1.09 0.07 117.98 120.55 1ag1 s PHE 60 Ca 0.35 -0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.63 1ag1 s PHE 60 Cb 0.20 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 42.25 1ag1 s PHE 60 CO 0.32 0.50 -0.11 0.14 0.70 0.00 0.00 175.22 176.76 1ag1 s VAL 61 N -1.55 0.93 0.13 -0.44 -7.23 0.44 -4.91 120.40 107.76 1ag1 s VAL 61 Ca 0.27 -1.41 -0.11 0.00 -1.81 0.00 0.00 61.98 58.92 1ag1 s VAL 61 Cb -0.10 -1.11 -0.06 0.00 0.56 0.00 0.00 36.38 35.66 1ag1 s VAL 61 CO 0.19 -0.41 0.47 0.27 -0.31 0.00 0.00 175.10 175.31 1ag1 s ILE 62 N -1.82 5.00 0.07 -0.62 -0.00 -1.26 -0.54 121.20 122.02 1ag1 s ILE 62 Ca -0.00 0.54 0.03 0.00 -0.00 0.00 0.00 60.65 61.22 1ag1 s ILE 62 Cb -0.07 -3.67 -0.03 0.00 -0.00 0.00 0.00 42.46 38.70 1ag1 s ILE 62 CO 0.01 0.20 -0.10 0.00 -0.00 0.00 0.00 174.94 175.05 1ag1 s ALA 63 N -1.51 0.86 0.49 2.27 0.00 -0.34 -4.12 121.76 119.41 1ag1 s ALA 63 Ca 0.37 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1ag1 s ALA 63 Cb -0.14 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1ag1 s ALA 63 CO 0.19 -0.01 0.68 0.00 0.00 0.00 0.00 175.76 176.63 1ag1 s ALA 64 N -1.81 4.06 -2.89 0.00 0.00 -0.29 -3.56 121.76 117.27 1ag1 s ALA 64 Ca -0.03 -1.38 0.24 0.00 0.00 0.00 0.00 51.96 50.79 1ag1 s ALA 64 Cb -0.07 -1.94 0.26 0.00 0.00 0.00 0.00 23.12 21.37 1ag1 s ALA 64 CO 0.00 -0.52 1.30 1.04 0.00 0.00 0.00 175.76 177.59 1ag1 n GLN 65 N -2.12 2.34 0.00 0.00 6.02 -1.26 -1.08 117.38 121.27 1ag1 n GLN 65 Ca 0.06 -1.95 0.00 0.00 -0.01 0.00 0.00 57.00 55.10 1ag1 n GLN 65 Cb 0.59 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.38 1ag1 n GLN 65 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ag1 n ASN 66 N 1.33 0.00 0.00 1.08 4.05 -1.17 -4.57 115.26 115.98 1ag1 n ASN 66 Ca 0.15 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.18 1ag1 n ASN 66 Cb 0.59 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.60 1ag1 n ASN 66 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ag1 n ALA 67 N -0.28 0.00 -2.52 5.20 0.00 -1.26 -4.95 120.51 116.70 1ag1 n ALA 67 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1ag1 n ALA 67 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1ag1 n ALA 67 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1ag1 s ILE 68 N -2.00 2.66 0.23 0.00 -4.36 0.37 -4.95 121.20 113.14 1ag1 s ILE 68 Ca 0.00 -2.27 -0.01 0.00 -0.26 0.00 0.00 60.65 58.12 1ag1 s ILE 68 Cb 0.00 -2.47 -0.00 0.00 1.25 0.00 0.00 42.46 41.24 1ag1 s ILE 68 CO 0.00 -0.36 1.60 0.00 0.24 0.00 0.00 174.94 176.41 1ag1 h ALA 69 N 2.14 0.87 -3.53 2.27 0.00 -1.93 -2.03 119.26 117.05 1ag1 h ALA 69 Ca -0.41 -0.44 -0.36 0.00 0.00 0.00 0.00 54.91 53.70 1ag1 h ALA 69 Cb 1.26 -0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.70 1ag1 h ALA 69 CO 0.61 0.64 -0.76 0.15 0.00 0.00 0.00 179.25 179.90 1ag1 s LYS 70 N -4.21 0.68 0.87 0.00 1.02 -1.26 -4.32 119.74 112.53 1ag1 s LYS 70 Ca -0.07 -0.67 -0.11 0.00 0.02 0.00 0.00 55.97 55.13 1ag1 s LYS 70 Cb 0.12 -0.60 0.12 0.00 -0.52 0.00 0.00 37.83 36.95 1ag1 s LYS 70 CO 0.82 0.14 1.09 -1.12 -0.92 0.00 0.00 175.35 175.36 1ag1 s SER 71 N -1.18 3.58 0.00 2.83 0.01 -1.26 -4.83 113.70 112.86 1ag1 s SER 71 Ca -0.03 1.69 0.00 0.00 1.31 0.00 0.00 55.95 58.92 1ag1 s SER 71 Cb -0.08 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1ag1 s SER 71 CO 0.01 -2.60 0.00 0.61 0.41 0.00 0.00 173.24 171.67 1ag1 n GLY 72 N -0.86 0.27 3.07 3.44 0.00 -1.26 -4.99 105.19 104.86 1ag1 n GLY 72 Ca 0.08 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 1ag1 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ag1 n ALA 73 N -0.61 4.82 -3.49 4.61 0.00 -1.26 -4.70 120.51 119.88 1ag1 n ALA 73 Ca 0.00 -4.18 -0.27 0.00 0.00 0.00 0.00 53.44 48.99 1ag1 n ALA 73 Cb 0.00 -3.15 -0.10 0.00 0.00 0.00 0.00 19.45 16.19 1ag1 n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ag1 n PHE 74 N 5.15 0.06 -1.68 0.00 3.72 -1.26 -5.11 117.46 118.34 1ag1 n PHE 74 Ca 0.42 -3.55 -0.49 0.00 -0.05 0.00 0.00 57.45 53.78 1ag1 n PHE 74 Cb 0.39 0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.91 1ag1 n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ag1 n THR 75 N 2.54 0.40 0.00 4.37 -1.04 -1.26 -2.15 114.28 117.14 1ag1 n THR 75 Ca 0.27 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 1ag1 n THR 75 Cb 0.45 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 1ag1 n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ag1 n GLY 76 N 4.09 2.75 3.95 3.41 0.00 -1.26 -5.07 105.19 113.06 1ag1 n GLY 76 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1ag1 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ag1 s GLU 77 N -0.30 3.38 -0.10 1.61 0.41 -0.91 -5.11 118.70 117.67 1ag1 s GLU 77 Ca 0.00 -0.40 0.03 0.00 -0.41 0.00 0.00 54.97 54.19 1ag1 s GLU 77 Cb 0.00 -2.65 0.01 0.00 -1.78 0.00 0.00 34.13 29.71 1ag1 s GLU 77 CO 0.00 0.06 -0.21 0.08 -0.49 0.00 0.00 175.26 174.70 1ag1 s VAL 78 N -2.36 1.87 0.25 2.63 1.01 -1.26 -4.98 120.40 117.56 1ag1 s VAL 78 Ca 0.42 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.55 1ag1 s VAL 78 Cb -0.10 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1ag1 s VAL 78 CO 0.36 0.52 0.35 -0.94 0.00 0.00 0.00 175.10 175.39 1ag1 s SER 79 N 0.53 6.20 0.33 3.32 1.04 -1.26 -0.48 113.70 123.38 1ag1 s SER 79 Ca -0.15 0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.36 1ag1 s SER 79 Cb -0.17 -1.76 0.74 0.00 0.10 0.00 0.00 66.02 64.93 1ag1 s SER 79 CO 0.05 -0.09 1.84 -0.07 0.98 0.00 0.00 173.24 175.95 1ag1 h LEU 80 N 1.19 0.75 -0.47 2.42 3.38 -1.55 -1.39 115.31 119.64 1ag1 h LEU 80 Ca -0.51 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 1ag1 h LEU 80 Cb 1.23 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1ag1 h LEU 80 CO 0.60 0.36 0.11 -0.65 0.09 0.00 0.00 178.44 178.96 1ag1 h PRO 81 N 0.78 0.75 -0.77 1.13 0.11 -1.86 0.29 132.00 132.43 1ag1 h PRO 81 Ca 0.49 -0.18 -0.04 0.00 0.11 0.00 0.00 66.00 66.38 1ag1 h PRO 81 Cb 0.71 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.69 1ag1 h PRO 81 CO -0.26 0.74 0.34 0.82 -0.21 0.00 0.00 178.00 179.43 1ag1 h ILE 82 N 0.63 1.25 -0.22 4.15 2.04 -1.78 -1.64 117.51 121.94 1ag1 h ILE 82 Ca 0.15 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 1ag1 h ILE 82 Cb 0.33 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1ag1 h ILE 82 CO 0.00 0.31 0.14 -0.07 0.00 0.00 0.00 178.15 178.53 1ag1 h LEU 83 N 1.10 0.26 -0.44 1.44 3.38 -0.69 -1.22 115.31 119.14 1ag1 h LEU 83 Ca 0.26 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1ag1 h LEU 83 Cb 0.16 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1ag1 h LEU 83 CO -0.03 0.22 0.19 0.50 0.09 0.00 0.00 178.44 179.42 1ag1 h LYS 84 N 0.28 0.64 -0.39 1.13 3.64 -0.68 -1.38 116.57 119.82 1ag1 h LYS 84 Ca 0.08 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1ag1 h LYS 84 Cb 0.00 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1ag1 h LYS 84 CO -0.02 0.57 0.17 0.22 -2.27 0.00 0.00 179.45 178.13 1ag1 h ASP 85 N 0.57 0.48 0.00 4.20 3.58 -1.24 0.20 116.42 124.21 1ag1 h ASP 85 Ca 0.15 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1ag1 h ASP 85 Cb 0.15 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1ag1 h ASP 85 CO -0.02 0.43 0.00 0.33 -2.88 0.00 0.00 179.24 177.10 1ag1 n PHE 86 N -4.40 0.00 -0.49 0.28 7.35 -0.47 -4.90 117.46 114.83 1ag1 n PHE 86 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 1ag1 n PHE 86 Cb 0.13 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.96 1ag1 n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ag1 n GLY 87 N 0.89 0.75 3.73 7.13 0.00 0.70 -5.05 105.19 113.35 1ag1 n GLY 87 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1ag1 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ag1 s VAL 88 N -2.06 5.30 0.00 1.61 1.01 -0.61 -4.98 120.40 120.67 1ag1 s VAL 88 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1ag1 s VAL 88 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1ag1 s VAL 88 CO 0.00 0.40 0.55 0.59 0.00 0.00 0.00 175.10 176.64 1ag1 n ASN 89 N 3.50 1.08 -4.19 3.32 3.02 -1.26 -4.04 115.26 116.69 1ag1 n ASN 89 Ca -0.12 -1.17 -0.21 0.00 -0.03 0.00 0.00 54.58 53.06 1ag1 n ASN 89 Cb 0.52 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.56 1ag1 n ASN 89 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1ag1 s TRP 90 N -0.17 1.39 -0.07 3.10 0.52 -1.26 -0.17 118.94 122.29 1ag1 s TRP 90 Ca 0.00 -0.40 -0.22 0.00 0.02 0.00 0.00 56.10 55.50 1ag1 s TRP 90 Cb 0.00 -0.80 0.05 0.00 -1.15 0.00 0.00 33.47 31.57 1ag1 s TRP 90 CO 0.00 0.08 0.50 -1.50 0.02 0.00 0.00 176.95 176.05 1ag1 s ILE 91 N -1.02 0.02 -0.18 2.03 2.07 -0.90 -1.14 121.20 122.08 1ag1 s ILE 91 Ca 0.02 -0.18 -0.09 0.00 -1.41 0.00 0.00 60.65 58.99 1ag1 s ILE 91 Cb -0.09 -0.79 -0.05 0.00 0.13 0.00 0.00 42.46 41.67 1ag1 s ILE 91 CO 0.02 -0.10 0.11 -0.69 -1.91 0.00 0.00 174.94 172.37 1ag1 s VAL 92 N -0.89 5.28 0.01 4.00 1.01 -0.24 -1.28 120.40 128.28 1ag1 s VAL 92 Ca -0.09 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1ag1 s VAL 92 Cb -0.03 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1ag1 s VAL 92 CO 0.06 0.49 -0.06 -0.76 0.00 0.00 0.00 175.10 174.82 1ag1 s LEU 93 N 0.03 2.08 0.00 3.92 1.43 -0.57 -3.04 118.68 122.53 1ag1 s LEU 93 Ca 0.09 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1ag1 s LEU 93 Cb -0.11 -0.25 0.00 0.00 0.03 0.00 0.00 46.19 45.86 1ag1 s LEU 93 CO -0.00 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1ag1 n GLY 94 N 2.53 0.52 3.58 -3.19 0.00 -1.26 -1.08 105.19 106.28 1ag1 n GLY 94 Ca -0.16 -0.47 -0.50 0.00 0.00 0.00 0.00 46.02 44.90 1ag1 n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ag1 n HIS 95 N -2.86 1.31 0.21 1.61 -0.00 -1.26 -4.46 115.22 109.76 1ag1 n HIS 95 Ca 0.00 0.68 0.18 0.00 0.46 0.00 0.00 57.72 59.04 1ag1 n HIS 95 Cb 0.00 -2.28 0.83 0.00 -0.12 0.00 0.00 29.99 28.42 1ag1 n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1ag1 h SER 96 N 3.59 0.00 0.23 0.26 4.64 -1.95 0.27 113.55 120.59 1ag1 h SER 96 Ca -0.44 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.70 1ag1 h SER 96 Cb 1.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 1ag1 h SER 96 CO 0.71 0.00 -0.69 -0.33 -0.87 0.00 0.00 176.83 175.66 1ag1 h GLU 97 N 0.00 0.41 -0.15 4.77 5.08 -1.97 0.38 114.58 123.10 1ag1 h GLU 97 Ca 0.09 -0.32 -0.17 0.00 -1.00 0.00 0.00 59.36 57.96 1ag1 h GLU 97 Cb 0.63 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.95 1ag1 h GLU 97 CO -0.00 0.95 -0.59 0.00 -1.00 0.00 0.00 179.01 178.37 1ag1 h ARG 98 N 0.29 0.66 0.51 2.33 3.08 -0.86 0.13 114.38 120.52 1ag1 h ARG 98 Ca -0.02 -0.51 -0.03 0.00 0.07 0.00 0.00 59.98 59.49 1ag1 h ARG 98 Cb 1.25 0.10 0.01 0.00 0.08 0.00 0.00 29.97 31.40 1ag1 h ARG 98 CO 0.12 1.13 -0.25 0.00 -1.07 0.00 0.00 179.97 179.90 1ag1 h ARG 99 N 0.33 -0.67 0.00 0.04 3.08 -0.99 0.11 114.38 116.28 1ag1 h ARG 99 Ca -0.03 0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 1ag1 h ARG 99 Cb 1.22 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 1ag1 h ARG 99 CO 0.12 -0.44 -0.37 0.00 -1.07 0.00 0.00 179.97 178.22 1ag1 h ALA 100 N -0.21 1.12 0.00 0.04 0.00 -0.26 -3.28 119.26 116.66 1ag1 h ALA 100 Ca -0.07 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ag1 h ALA 100 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ag1 h ALA 100 CO 0.12 0.46 -1.06 0.66 0.00 0.00 0.00 179.25 179.43 1ag1 n TYR 101 N -3.70 0.00 -1.75 0.00 4.01 0.45 -4.74 117.16 111.43 1ag1 n TYR 101 Ca -0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.60 1ag1 n TYR 101 Cb 0.46 -0.10 0.11 0.00 -0.31 0.00 0.00 39.34 39.50 1ag1 n TYR 101 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ag1 n TYR 102 N -1.58 1.74 -4.22 -0.72 4.01 0.38 -5.00 117.16 111.77 1ag1 n TYR 102 Ca -0.01 -1.98 -0.36 0.00 -0.16 0.00 0.00 57.90 55.39 1ag1 n TYR 102 Cb 0.12 -0.44 -0.03 0.00 -0.31 0.00 0.00 39.34 38.69 1ag1 n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ag1 n GLY 103 N -0.92 -0.45 3.43 2.72 0.00 -1.20 -4.86 105.19 103.91 1ag1 n GLY 103 Ca 0.37 0.14 -0.44 0.00 0.00 0.00 0.00 46.02 46.09 1ag1 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ag1 s GLU 104 N -6.93 3.11 0.95 1.61 2.02 -1.18 -5.00 118.70 113.28 1ag1 s GLU 104 Ca 0.75 -0.95 -0.15 0.00 0.02 0.00 0.00 54.97 54.64 1ag1 s GLU 104 Cb -0.41 -4.21 0.17 0.00 0.10 0.00 0.00 34.13 29.78 1ag1 s GLU 104 CO 0.93 -1.64 1.22 0.95 0.02 0.00 0.00 175.26 176.74 1ag1 s THR 105 N 3.47 1.94 0.49 3.63 -4.23 -1.26 -4.44 115.64 115.23 1ag1 s THR 105 Ca 0.19 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.88 1ag1 s THR 105 Cb -0.19 -2.87 0.34 0.00 1.34 0.00 0.00 72.50 71.12 1ag1 s THR 105 CO 0.10 0.00 2.03 0.78 -0.54 0.00 0.00 174.62 176.98 1ag1 h ASN 106 N -1.62 0.15 -0.07 3.99 2.35 -1.97 -1.27 115.58 117.14 1ag1 h ASN 106 Ca -0.46 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.26 1ag1 h ASN 106 Cb 1.29 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.62 1ag1 h ASN 106 CO 0.49 0.09 -0.07 -0.33 -1.65 0.00 0.00 177.43 175.96 1ag1 h GLU 107 N 0.17 0.17 -0.62 0.81 4.39 -1.94 -0.29 114.58 117.27 1ag1 h GLU 107 Ca 0.20 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.84 1ag1 h GLU 107 Cb 0.57 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 1ag1 h GLU 107 CO -0.03 0.61 0.38 0.82 -1.16 0.00 0.00 179.01 179.63 1ag1 h ILE 108 N -0.27 1.07 0.05 3.13 2.04 -1.88 0.15 117.51 121.80 1ag1 h ILE 108 Ca 0.01 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1ag1 h ILE 108 Cb 0.58 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1ag1 h ILE 108 CO 0.02 0.14 -0.03 0.58 0.00 0.00 0.00 178.15 178.86 1ag1 h VAL 109 N 0.74 1.14 -0.91 1.67 2.07 -1.22 -2.30 116.25 117.45 1ag1 h VAL 109 Ca 0.25 -0.66 0.22 0.00 0.82 0.00 0.00 66.70 67.33 1ag1 h VAL 109 Cb 0.03 1.58 -0.12 0.00 -1.52 0.00 0.00 31.29 31.26 1ag1 h VAL 109 CO -0.11 0.17 0.42 0.00 0.02 0.00 0.00 177.57 178.07 1ag1 h ALA 110 N 0.56 1.48 -0.10 1.67 0.00 -0.67 -0.81 119.26 121.40 1ag1 h ALA 110 Ca -0.01 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ag1 h ALA 110 Cb 0.33 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ag1 h ALA 110 CO 0.01 -0.32 -0.02 -0.44 0.00 0.00 0.00 179.25 178.48 1ag1 h ASP 111 N 0.43 0.18 -0.53 0.00 3.32 -0.62 -1.48 116.42 117.71 1ag1 h ASP 111 Ca 0.57 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1ag1 h ASP 111 Cb 1.07 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 1ag1 h ASP 111 CO -0.51 0.49 0.32 0.11 -1.72 0.00 0.00 179.24 177.93 1ag1 h LYS 112 N -0.13 0.72 0.11 3.56 1.57 -0.85 -0.49 116.57 121.07 1ag1 h LYS 112 Ca 0.03 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1ag1 h LYS 112 Cb 0.40 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1ag1 h LYS 112 CO 0.01 0.52 -0.13 0.28 -0.57 0.00 0.00 179.45 179.56 1ag1 h VAL 113 N 0.72 0.69 -0.46 0.50 2.07 -1.15 0.55 116.25 119.18 1ag1 h VAL 113 Ca 0.19 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.77 1ag1 h VAL 113 Cb -0.02 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1ag1 h VAL 113 CO -0.04 0.00 0.15 0.00 0.02 0.00 0.00 177.57 177.71 1ag1 h ALA 114 N 0.57 0.55 -0.68 1.67 0.00 -0.96 0.12 119.26 120.53 1ag1 h ALA 114 Ca 0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ag1 h ALA 114 Cb 0.28 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1ag1 h ALA 114 CO -0.05 -0.24 0.41 0.00 0.00 0.00 0.00 179.25 179.37 1ag1 h ALA 115 N 1.31 0.86 -0.56 0.00 0.00 -0.86 -0.22 119.26 119.78 1ag1 h ALA 115 Ca 0.22 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1ag1 h ALA 115 Cb 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ag1 h ALA 115 CO -0.23 0.33 0.03 0.00 0.00 0.00 0.00 179.25 179.37 1ag1 h ALA 116 N 1.21 0.98 -0.42 0.00 0.00 0.90 -1.62 119.26 120.31 1ag1 h ALA 116 Ca 0.24 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ag1 h ALA 116 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1ag1 h ALA 116 CO -0.05 0.63 0.11 0.28 0.00 0.00 0.00 179.25 180.22 1ag1 h VAL 117 N 0.88 1.23 -0.37 0.00 2.07 -0.34 0.16 116.25 119.88 1ag1 h VAL 117 Ca 0.17 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1ag1 h VAL 117 Cb 0.48 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1ag1 h VAL 117 CO 0.02 0.28 0.13 0.00 0.02 0.00 0.00 177.57 178.02 1ag1 h ALA 118 N 0.96 1.55 -0.00 1.67 0.00 -0.83 -0.32 119.26 122.28 1ag1 h ALA 118 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ag1 h ALA 118 Cb 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ag1 h ALA 118 CO 0.00 0.35 -0.03 0.43 0.00 0.00 0.00 179.25 180.00 1ag1 n SER 119 N -4.38 0.34 0.00 0.00 7.64 -0.63 -4.91 113.62 111.68 1ag1 n SER 119 Ca 0.02 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 59.08 1ag1 n SER 119 Cb 0.15 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1ag1 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ag1 n GLY 120 N 1.14 0.77 3.97 0.23 0.00 -0.13 -5.07 105.19 106.10 1ag1 n GLY 120 Ca 0.19 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 1ag1 n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ag1 s PHE 121 N -2.00 3.29 -0.27 1.61 0.40 0.02 -4.98 117.98 116.04 1ag1 s PHE 121 Ca 0.00 0.05 -0.15 0.00 -0.60 0.00 0.00 56.93 56.23 1ag1 s PHE 121 Cb 0.00 -1.96 -0.04 0.00 0.51 0.00 0.00 43.02 41.53 1ag1 s PHE 121 CO 0.00 0.03 0.37 -1.64 0.70 0.00 0.00 175.22 174.67 1ag1 s MET 122 N -4.25 3.99 -0.12 0.44 -1.94 0.76 -4.45 119.30 113.72 1ag1 s MET 122 Ca 0.42 0.00 -0.00 0.00 -1.71 0.00 0.00 55.69 54.40 1ag1 s MET 122 Cb -0.10 -3.66 -0.02 0.00 2.01 0.00 0.00 34.83 33.06 1ag1 s MET 122 CO 0.33 -0.29 -0.12 0.08 -0.01 0.00 0.00 175.02 175.01 1ag1 s VAL 123 N 2.06 3.16 -0.48 -6.03 1.01 -0.58 -2.12 120.40 117.42 1ag1 s VAL 123 Ca 0.14 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 1ag1 s VAL 123 Cb -0.16 -2.32 0.06 0.00 0.00 0.00 0.00 36.38 33.96 1ag1 s VAL 123 CO 0.10 0.53 0.50 -0.63 0.00 0.00 0.00 175.10 175.60 1ag1 s ILE 124 N 0.22 5.06 -0.16 2.22 1.01 -0.40 -1.37 121.20 127.77 1ag1 s ILE 124 Ca -0.08 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 1ag1 s ILE 124 Cb -0.15 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 1ag1 s ILE 124 CO 0.05 -0.67 0.24 0.00 0.00 0.00 0.00 174.94 174.56 1ag1 s ALA 125 N 2.13 3.64 -0.20 9.38 0.00 0.12 -1.51 121.76 135.31 1ag1 s ALA 125 Ca 0.10 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 51.42 1ag1 s ALA 125 Cb -0.21 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 1ag1 s ALA 125 CO 0.10 0.15 0.21 0.00 0.00 0.00 0.00 175.76 176.22 1ag1 s ILE 127 N 0.67 1.46 0.00 0.00 -4.36 0.22 -4.57 121.20 114.62 1ag1 s ILE 127 Ca 0.11 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1ag1 s ILE 127 Cb -0.13 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 41.86 1ag1 s ILE 127 CO 0.02 -0.48 0.00 0.61 0.24 0.00 0.00 174.94 175.33 1ag1 n GLY 128 N 0.22 2.78 3.92 6.27 0.00 -1.26 -1.33 105.19 115.79 1ag1 n GLY 128 Ca -0.13 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 1ag1 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ag1 s GLU 129 N -2.00 3.55 0.27 1.61 1.03 -1.26 -4.71 118.70 117.18 1ag1 s GLU 129 Ca 0.00 -0.12 -0.00 0.00 0.03 0.00 0.00 54.97 54.88 1ag1 s GLU 129 Cb 0.00 -2.60 -0.04 0.00 -0.80 0.00 0.00 34.13 30.69 1ag1 s GLU 129 CO 0.00 0.10 0.46 0.95 -1.33 0.00 0.00 175.26 175.44 1ag1 s THR 130 N -2.32 5.16 0.32 1.83 -4.23 -1.26 -0.33 115.64 114.81 1ag1 s THR 130 Ca 0.43 -0.42 0.08 0.00 -1.18 0.00 0.00 61.69 60.59 1ag1 s THR 130 Cb -0.10 -3.79 0.34 0.00 1.34 0.00 0.00 72.50 70.29 1ag1 s THR 130 CO 0.36 -0.34 1.62 0.25 -0.54 0.00 0.00 174.62 175.96 1ag1 h LEU 131 N 1.43 0.07 -0.90 4.79 7.12 -1.96 -0.21 115.31 125.64 1ag1 h LEU 131 Ca -0.49 0.22 -0.11 0.00 0.13 0.00 0.00 57.88 57.64 1ag1 h LEU 131 Cb 1.21 0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 41.61 1ag1 h LEU 131 CO 0.65 -0.25 -0.36 -0.61 -0.13 0.00 0.00 178.44 177.74 1ag1 h GLN 132 N 0.15 0.37 0.02 1.25 -0.00 -1.98 -1.29 115.11 113.63 1ag1 h GLN 132 Ca 0.65 -0.17 -0.25 0.00 -0.00 0.00 0.00 58.65 58.89 1ag1 h GLN 132 Cb 1.46 -0.01 0.02 0.00 0.00 0.00 0.00 27.48 28.96 1ag1 h GLN 132 CO -0.72 0.68 -0.97 0.93 0.00 0.00 0.00 178.83 178.75 1ag1 h GLU 133 N 0.32 0.63 -0.49 1.69 5.08 -1.44 -2.86 114.58 117.50 1ag1 h GLU 133 Ca 0.04 -0.70 0.05 0.00 -1.00 0.00 0.00 59.36 57.74 1ag1 h GLU 133 Cb 0.78 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 1ag1 h GLU 133 CO 0.06 1.29 0.24 -0.09 -1.00 0.00 0.00 179.01 179.51 1ag1 h ARG 134 N 0.26 0.46 0.00 2.33 2.43 -1.28 -0.22 114.38 118.36 1ag1 h ARG 134 Ca -0.13 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1ag1 h ARG 134 Cb 1.64 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.09 1ag1 h ARG 134 CO 0.19 0.30 0.00 0.93 -1.51 0.00 0.00 179.97 179.88 1ag1 h GLU 135 N 0.47 0.00 0.00 0.20 5.08 -1.24 -2.44 114.58 116.65 1ag1 h GLU 135 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1ag1 h GLU 135 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1ag1 h GLU 135 CO -0.16 0.00 -0.79 0.43 -1.00 0.00 0.00 179.01 177.49 1ag1 n SER 136 N -2.89 0.63 -0.08 1.42 7.64 -0.25 -4.93 113.62 115.15 1ag1 n SER 136 Ca -0.01 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1ag1 n SER 136 Cb 0.16 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1ag1 n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ag1 n GLY 137 N 1.41 0.96 1.12 0.23 0.00 -0.92 -5.00 105.19 102.99 1ag1 n GLY 137 Ca 0.03 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.62 1ag1 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ag1 n ARG 138 N -0.82 2.51 -0.22 1.61 1.74 -0.28 -4.71 116.66 116.49 1ag1 n ARG 138 Ca 0.00 -2.32 -0.09 0.00 -0.77 0.00 0.00 57.85 54.67 1ag1 n ARG 138 Cb 0.32 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.23 1ag1 n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1ag1 h THR 139 N 4.06 0.06 -0.56 0.55 2.02 -1.86 -0.66 112.91 116.52 1ag1 h THR 139 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1ag1 h THR 139 Cb 0.94 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1ag1 h THR 139 CO 0.00 0.00 0.34 0.00 0.37 0.00 0.00 175.52 176.23 1ag1 h ALA 140 N 0.55 0.72 -0.30 6.16 0.00 -1.97 -1.75 119.26 122.67 1ag1 h ALA 140 Ca 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ag1 h ALA 140 Cb 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ag1 h ALA 140 CO -0.71 0.07 0.02 0.28 0.00 0.00 0.00 179.25 178.92 1ag1 h VAL 141 N 0.68 1.25 0.67 0.00 2.07 -1.83 -2.25 116.25 116.84 1ag1 h VAL 141 Ca 0.22 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1ag1 h VAL 141 Cb 0.01 1.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1ag1 h VAL 141 CO -0.09 0.28 -0.32 0.58 0.02 0.00 0.00 177.57 178.04 1ag1 h VAL 142 N 0.32 0.32 -0.92 2.57 2.07 -0.98 -0.40 116.25 119.23 1ag1 h VAL 142 Ca 0.09 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1ag1 h VAL 142 Cb 0.39 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1ag1 h VAL 142 CO 0.01 0.01 0.60 -0.37 0.02 0.00 0.00 177.57 177.83 1ag1 h VAL 143 N -0.95 1.13 -0.32 2.57 -1.51 -1.37 -0.36 116.25 115.45 1ag1 h VAL 143 Ca -0.09 -0.39 -0.16 0.00 -1.23 0.00 0.00 66.70 64.82 1ag1 h VAL 143 Cb 0.70 -0.11 -0.01 0.00 -2.13 0.00 0.00 31.29 29.75 1ag1 h VAL 143 CO 0.15 0.21 -0.44 -0.07 -1.23 0.00 0.00 177.57 176.19 1ag1 h LEU 144 N 1.14 0.90 -0.17 4.19 3.38 -1.42 -1.48 115.31 121.86 1ag1 h LEU 144 Ca 0.38 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1ag1 h LEU 144 Cb 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1ag1 h LEU 144 CO -0.13 1.21 0.03 0.74 0.09 0.00 0.00 178.44 180.38 1ag1 h THR 145 N 0.67 1.21 -0.78 0.22 2.02 -0.78 -0.20 112.91 115.27 1ag1 h THR 145 Ca 0.04 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.58 1ag1 h THR 145 Cb 1.02 1.34 -0.05 0.00 -1.74 0.00 0.00 68.15 68.73 1ag1 h THR 145 CO 0.10 0.20 0.49 1.56 0.37 0.00 0.00 175.52 178.25 1ag1 h GLN 146 N 0.07 0.93 -0.26 6.66 4.20 -0.96 -1.40 115.11 124.35 1ag1 h GLN 146 Ca 0.05 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1ag1 h GLN 146 Cb 0.28 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1ag1 h GLN 146 CO 0.00 0.61 -0.09 0.97 -0.67 0.00 0.00 178.83 179.65 1ag1 h ILE 147 N 0.96 1.29 -0.43 2.54 -0.00 -1.14 -2.86 117.51 117.87 1ag1 h ILE 147 Ca 0.31 -1.14 0.12 0.00 -0.00 0.00 0.00 64.86 64.15 1ag1 h ILE 147 Cb 0.03 1.49 -0.02 0.00 -0.00 0.00 0.00 36.82 38.32 1ag1 h ILE 147 CO -0.12 0.36 0.30 0.00 -0.00 0.00 0.00 178.15 178.70 1ag1 h ALA 148 N 0.75 2.35 -0.24 0.18 0.00 -0.69 -0.04 119.26 121.58 1ag1 h ALA 148 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ag1 h ALA 148 Cb 0.58 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ag1 h ALA 148 CO 0.03 -0.47 0.06 0.00 0.00 0.00 0.00 179.25 178.87 1ag1 h ALA 149 N 1.79 0.31 0.15 0.00 0.00 -1.03 -2.17 119.26 118.31 1ag1 h ALA 149 Ca 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ag1 h ALA 149 Cb 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ag1 h ALA 149 CO -0.01 -0.03 -0.07 0.82 0.00 0.00 0.00 179.25 179.96 1ag1 h ILE 150 N 0.21 0.93 -0.93 0.00 2.04 -1.29 -3.05 117.51 115.42 1ag1 h ILE 150 Ca 0.07 -0.33 0.23 0.00 1.00 0.00 0.00 64.86 65.84 1ag1 h ILE 150 Cb 0.28 1.14 -0.13 0.00 -0.74 0.00 0.00 36.82 37.37 1ag1 h ILE 150 CO 0.00 0.08 0.44 0.00 0.00 0.00 0.00 178.15 178.67 1ag1 h ALA 151 N 0.47 1.54 -0.22 1.87 0.00 -0.98 -2.69 119.26 119.26 1ag1 h ALA 151 Ca -0.02 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1ag1 h ALA 151 Cb 0.28 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1ag1 h ALA 151 CO 0.03 -0.35 -0.31 0.87 0.00 0.00 0.00 179.25 179.49 1ag1 h LYS 152 N 0.42 -0.32 0.00 0.00 1.57 -1.28 -1.00 116.57 115.96 1ag1 h LYS 152 Ca 0.59 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 1ag1 h LYS 152 Cb 1.15 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1ag1 h LYS 152 CO -0.53 -0.21 0.00 1.63 -0.57 0.00 0.00 179.45 179.77 1ag1 n LYS 153 N -5.40 0.08 -3.94 3.15 4.01 -1.02 -4.83 118.16 110.20 1ag1 n LYS 153 Ca -0.02 0.17 -0.30 0.00 -0.51 0.00 0.00 58.31 57.66 1ag1 n LYS 153 Cb 0.32 -1.50 -0.04 0.00 -0.51 0.00 0.00 35.03 33.30 1ag1 n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ag1 s LEU 154 N -2.87 4.28 0.12 -0.35 1.43 -0.38 -4.87 118.68 116.04 1ag1 s LEU 154 Ca 0.11 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 1ag1 s LEU 154 Cb 0.12 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 1ag1 s LEU 154 CO 0.31 0.15 0.15 -1.59 0.23 0.00 0.00 176.35 175.59 1ag1 s LYS 155 N -2.64 3.04 0.06 1.70 -2.85 -1.26 -4.95 119.74 112.83 1ag1 s LYS 155 Ca 0.34 -0.72 -0.11 0.00 -1.00 0.00 0.00 55.97 54.48 1ag1 s LYS 155 Cb -0.12 -2.77 -0.03 0.00 -2.06 0.00 0.00 37.83 32.85 1ag1 s LYS 155 CO 0.27 0.53 0.75 1.17 0.10 0.00 0.00 175.35 178.17 1ag1 n LYS 156 N -0.05 -0.16 0.27 1.78 4.81 -1.26 0.29 118.16 123.84 1ag1 n LYS 156 Ca -0.08 0.74 0.17 0.00 -0.87 0.00 0.00 58.31 58.27 1ag1 n LYS 156 Cb 0.53 -1.09 0.92 0.00 0.02 0.00 0.00 35.03 35.41 1ag1 n LYS 156 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ag1 h ALA 157 N -0.01 1.56 -0.16 3.14 0.00 -2.02 -0.59 119.26 121.18 1ag1 h ALA 157 Ca 0.06 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1ag1 h ALA 157 Cb 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ag1 h ALA 157 CO -0.34 -0.12 0.11 -0.44 0.00 0.00 0.00 179.25 178.46 1ag1 h ASP 158 N 0.00 0.04 -0.04 0.00 3.32 0.40 -2.58 116.42 117.57 1ag1 h ASP 158 Ca 0.03 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1ag1 h ASP 158 Cb 0.21 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1ag1 h ASP 158 CO -0.00 0.03 0.08 -0.50 -1.72 0.00 0.00 179.24 177.13 1ag1 h TRP 159 N 0.05 0.00 0.00 4.55 4.06 -1.05 -1.87 115.95 121.69 1ag1 h TRP 159 Ca 0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.02 1ag1 h TRP 159 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 1ag1 h TRP 159 CO -0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 1ag1 n ALA 160 N -2.21 1.26 0.73 1.49 0.00 -0.97 -1.96 120.51 118.85 1ag1 n ALA 160 Ca -0.02 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.58 1ag1 n ALA 160 Cb 0.16 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1ag1 n ALA 160 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ag1 n LYS 161 N -1.91 1.63 -3.72 0.00 4.76 -0.70 -4.97 118.16 113.25 1ag1 n LYS 161 Ca 0.01 -0.87 -0.35 0.00 -2.87 0.00 0.00 58.31 54.23 1ag1 n LYS 161 Cb 0.09 -1.29 -0.05 0.00 -1.84 0.00 0.00 35.03 31.93 1ag1 n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ag1 s VAL 162 N -1.91 5.26 -0.04 -0.18 1.01 -0.83 -1.52 120.40 122.18 1ag1 s VAL 162 Ca 0.14 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1ag1 s VAL 162 Cb 0.13 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.95 1ag1 s VAL 162 CO 0.40 0.37 -0.06 -0.69 0.00 0.00 0.00 175.10 175.12 1ag1 s VAL 163 N -1.30 0.61 -0.11 2.92 1.01 -0.47 -4.53 120.40 118.52 1ag1 s VAL 163 Ca 0.28 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 1ag1 s VAL 163 Cb -0.13 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1ag1 s VAL 163 CO 0.16 0.23 0.17 -0.63 0.00 0.00 0.00 175.10 175.04 1ag1 s ILE 164 N 0.78 5.44 -0.19 2.22 -1.09 -0.42 -0.71 121.20 127.24 1ag1 s ILE 164 Ca -0.11 0.29 -0.01 0.00 -2.23 0.00 0.00 60.65 58.59 1ag1 s ILE 164 Cb -0.14 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1ag1 s ILE 164 CO 0.01 0.59 -0.13 0.00 -1.23 0.00 0.00 174.94 174.18 1ag1 s ALA 165 N -0.88 2.56 -0.24 9.38 0.00 0.37 -1.03 121.76 131.92 1ag1 s ALA 165 Ca 0.15 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 1ag1 s ALA 165 Cb -0.12 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 1ag1 s ALA 165 CO 0.05 -0.27 0.32 -0.47 0.00 0.00 0.00 175.76 175.39 1ag1 s TYR 166 N 1.19 3.30 -0.29 0.00 5.04 0.12 -0.61 117.35 126.10 1ag1 s TYR 166 Ca 0.02 0.41 -0.04 0.00 -2.44 0.00 0.00 57.07 55.02 1ag1 s TYR 166 Cb -0.14 -2.47 0.10 0.00 0.35 0.00 0.00 41.96 39.80 1ag1 s TYR 166 CO -0.05 -0.09 0.15 -1.21 -1.34 0.00 0.00 175.55 173.01 1ag1 s GLU 167 N 1.57 0.20 -0.22 4.97 2.02 -0.44 -1.61 118.70 125.19 1ag1 s GLU 167 Ca 0.14 -0.48 -0.28 0.00 0.02 0.00 0.00 54.97 54.37 1ag1 s GLU 167 Cb -0.15 -1.11 -0.05 0.00 0.10 0.00 0.00 34.13 32.93 1ag1 s GLU 167 CO 0.08 -1.02 2.08 -1.25 0.02 0.00 0.00 175.26 175.17 1ag1 s PRO 168 N 2.13 3.30 0.39 0.39 0.04 -1.25 -4.31 135.00 135.69 1ag1 s PRO 168 Ca 0.09 1.93 0.23 0.00 0.04 0.00 0.00 61.00 63.30 1ag1 s PRO 168 Cb -0.16 -4.30 1.32 0.00 0.04 0.00 0.00 34.50 31.40 1ag1 s PRO 168 CO -0.36 -1.91 1.62 0.28 0.04 0.00 0.00 177.00 176.67 1ag1 h VAL 169 N 6.89 0.13 0.00 -0.36 2.07 -0.96 0.59 116.25 124.62 1ag1 h VAL 169 Ca -0.40 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1ag1 h VAL 169 Cb 1.22 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1ag1 h VAL 169 CO 0.98 0.02 0.00 4.11 0.02 0.00 0.00 177.57 182.70 1ag1 h TRP 170 N 0.12 0.00 -0.07 1.57 5.08 -1.88 -0.88 115.95 119.90 1ag1 h TRP 170 Ca 0.81 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.78 1ag1 h TRP 170 Cb 2.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.40 1ag1 h TRP 170 CO -0.01 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.15 1ag1 n ALA 171 N -1.91 2.52 -2.48 0.11 0.00 0.21 -4.56 120.51 114.40 1ag1 n ALA 171 Ca -0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 1ag1 n ALA 171 Cb 0.16 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 1ag1 n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ag1 s ILE 172 N -1.93 4.17 -1.63 0.00 1.01 -0.34 -2.71 121.20 119.77 1ag1 s ILE 172 Ca 0.34 1.29 -0.11 0.00 0.00 0.00 0.00 60.65 62.17 1ag1 s ILE 172 Cb 0.20 -4.29 0.10 0.00 0.01 0.00 0.00 42.46 38.49 1ag1 s ILE 172 CO 0.31 -0.62 0.51 0.61 0.00 0.00 0.00 174.94 175.75 1ag1 n GLY 173 N 4.47 -0.32 0.00 6.18 0.00 -1.26 -4.81 105.19 109.45 1ag1 n GLY 173 Ca 0.14 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1ag1 n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ag1 n THR 174 N -4.38 0.00 0.00 2.61 -2.24 -1.25 -5.00 114.28 104.02 1ag1 n THR 174 Ca -0.10 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1ag1 n THR 174 Cb 0.58 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1ag1 n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ag1 n GLY 175 N 1.00 1.65 3.02 3.38 0.00 -1.26 -4.95 105.19 108.03 1ag1 n GLY 175 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1ag1 n GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ag1 n LYS 176 N -2.00 3.28 -1.99 1.61 0.00 -1.26 -4.97 118.16 112.84 1ag1 n LYS 176 Ca 0.00 -3.26 -0.39 0.00 0.00 0.00 0.00 58.31 54.66 1ag1 n LYS 176 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 35.03 31.90 1ag1 n LYS 176 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1ag1 s VAL 177 N 1.98 2.48 0.56 3.15 1.01 -1.26 -4.15 120.40 124.17 1ag1 s VAL 177 Ca 0.44 0.43 -0.19 0.00 0.00 0.00 0.00 61.98 62.66 1ag1 s VAL 177 Cb 0.08 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1ag1 s VAL 177 CO -0.01 0.06 1.17 0.00 0.00 0.00 0.00 175.10 176.31 1ag1 s ALA 178 N -1.26 2.65 0.83 5.51 0.00 -1.26 -4.99 121.76 123.25 1ag1 s ALA 178 Ca 0.59 0.92 -0.12 0.00 0.00 0.00 0.00 51.96 53.35 1ag1 s ALA 178 Cb -0.39 -3.41 0.09 0.00 0.00 0.00 0.00 23.12 19.42 1ag1 s ALA 178 CO 0.50 -0.94 1.11 0.95 0.00 0.00 0.00 175.76 177.38 1ag1 s THR 179 N -1.67 2.70 0.40 0.00 -4.23 -1.26 -4.73 115.64 106.86 1ag1 s THR 179 Ca 0.74 0.23 0.08 0.00 -1.18 0.00 0.00 61.69 61.56 1ag1 s THR 179 Cb -0.27 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 70.88 1ag1 s THR 179 CO 0.30 -0.30 2.01 -0.65 -0.54 0.00 0.00 174.62 175.45 1ag1 h PRO 180 N -1.22 0.57 0.43 3.99 0.11 -1.94 0.23 132.00 134.17 1ag1 h PRO 180 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1ag1 h PRO 180 Cb 1.29 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ag1 h PRO 180 CO 0.60 0.37 -0.21 1.96 -0.21 0.00 0.00 178.00 180.52 1ag1 h GLN 181 N 0.58 -0.55 -0.72 1.05 1.08 -1.98 0.14 115.11 114.71 1ag1 h GLN 181 Ca 0.23 0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.53 1ag1 h GLN 181 Cb 0.17 0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.67 1ag1 h GLN 181 CO -0.06 -0.31 0.42 1.96 -0.95 0.00 0.00 178.83 179.89 1ag1 h GLN 182 N -0.69 0.74 0.45 1.46 4.20 -1.66 0.48 115.11 120.10 1ag1 h GLN 182 Ca -0.06 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1ag1 h GLN 182 Cb 0.50 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1ag1 h GLN 182 CO 0.10 0.49 -0.22 0.00 -0.67 0.00 0.00 178.83 178.53 1ag1 h ALA 183 N 1.36 -0.61 -0.51 3.87 0.00 -0.47 -0.12 119.26 122.78 1ag1 h ALA 183 Ca 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ag1 h ALA 183 Cb 0.19 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1ag1 h ALA 183 CO -0.18 -0.80 0.28 0.37 0.00 0.00 0.00 179.25 178.93 1ag1 h GLN 184 N -0.71 0.70 -0.09 0.00 5.75 -0.41 -0.60 115.11 119.75 1ag1 h GLN 184 Ca -0.06 -0.07 -0.15 0.00 -0.15 0.00 0.00 58.65 58.23 1ag1 h GLN 184 Cb 0.52 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 1ag1 h GLN 184 CO 0.10 0.51 -0.58 1.05 -2.65 0.00 0.00 178.83 177.27 1ag1 h GLU 185 N 0.71 0.29 -0.09 1.69 4.11 0.15 -1.71 114.58 119.73 1ag1 h GLU 185 Ca 0.18 -0.19 -0.19 0.00 0.07 0.00 0.00 59.36 59.23 1ag1 h GLU 185 Cb 0.01 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1ag1 h GLU 185 CO -0.03 0.79 -0.74 0.00 0.07 0.00 0.00 179.01 179.10 1ag1 h ALA 186 N 1.17 0.55 -0.29 1.06 0.00 0.12 -3.00 119.26 118.87 1ag1 h ALA 186 Ca -0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.20 1ag1 h ALA 186 Cb 1.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1ag1 h ALA 186 CO 0.09 0.75 -0.23 0.45 0.00 0.00 0.00 179.25 180.31 1ag1 h HIS 187 N 0.32 0.62 -0.28 0.00 3.86 -1.02 -2.52 115.15 116.13 1ag1 h HIS 187 Ca -0.03 -0.13 -0.19 0.00 -1.16 0.00 0.00 60.37 58.86 1ag1 h HIS 187 Cb 1.32 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.64 1ag1 h HIS 187 CO 0.05 0.74 -0.57 0.00 0.86 0.00 0.00 177.93 179.01 1ag1 h ALA 188 N 1.26 0.45 0.46 2.45 0.00 -1.36 -0.64 119.26 121.90 1ag1 h ALA 188 Ca 0.07 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1ag1 h ALA 188 Cb 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ag1 h ALA 188 CO 0.05 0.68 -0.22 1.25 0.00 0.00 0.00 179.25 181.01 1ag1 h LEU 189 N 0.66 -0.53 -0.87 0.00 5.85 -1.46 0.16 115.31 119.12 1ag1 h LEU 189 Ca 0.01 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1ag1 h LEU 189 Cb 1.18 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 1ag1 h LEU 189 CO 0.13 -0.37 0.54 0.40 -0.34 0.00 0.00 178.44 178.79 1ag1 h ILE 190 N -0.63 1.02 0.00 4.05 2.04 -1.39 -1.18 117.51 121.41 1ag1 h ILE 190 Ca -0.06 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 1ag1 h ILE 190 Cb 0.48 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1ag1 h ILE 190 CO 0.10 0.17 -0.35 -0.09 0.00 0.00 0.00 178.15 177.99 1ag1 h ARG 191 N 0.96 0.00 -0.47 2.37 2.43 -0.69 -2.53 114.38 116.44 1ag1 h ARG 191 Ca 0.39 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.42 1ag1 h ARG 191 Cb 0.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1ag1 h ARG 191 CO -0.19 0.35 -0.24 0.66 -1.51 0.00 0.00 179.97 179.04 1ag1 h SER 192 N 0.00 1.02 -0.50 -3.80 4.64 0.51 -2.41 113.55 113.01 1ag1 h SER 192 Ca -0.00 -0.40 0.04 0.00 -0.47 0.00 0.00 61.79 60.95 1ag1 h SER 192 Cb 0.64 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 1ag1 h SER 192 CO 0.05 1.20 0.27 -0.25 -0.87 0.00 0.00 176.83 177.22 1ag1 h TRP 193 N 0.85 0.49 -0.71 4.77 7.01 -1.07 0.27 115.95 127.56 1ag1 h TRP 193 Ca 0.10 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.08 1ag1 h TRP 193 Cb 0.82 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.70 1ag1 h TRP 193 CO 0.05 0.25 0.26 0.28 -2.79 0.00 0.00 178.44 176.50 1ag1 h VAL 194 N 0.52 1.25 -0.00 2.65 2.07 -1.33 0.53 116.25 121.95 1ag1 h VAL 194 Ca 0.21 -0.83 -0.23 0.00 0.82 0.00 0.00 66.70 66.68 1ag1 h VAL 194 Cb 0.10 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1ag1 h VAL 194 CO -0.14 0.33 -0.94 0.77 0.02 0.00 0.00 177.57 177.61 1ag1 h SER 195 N 1.03 0.54 -0.59 0.57 4.64 -1.21 0.78 113.55 119.31 1ag1 h SER 195 Ca 0.23 -0.43 -0.08 0.00 -0.47 0.00 0.00 61.79 61.04 1ag1 h SER 195 Cb 0.25 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1ag1 h SER 195 CO -0.01 1.23 0.06 0.28 -0.87 0.00 0.00 176.83 177.52 1ag1 h SER 196 N 0.24 0.97 0.05 4.97 0.02 0.04 -3.00 113.55 116.84 1ag1 h SER 196 Ca -0.08 -0.28 -0.19 0.00 -0.84 0.00 0.00 61.79 60.40 1ag1 h SER 196 Cb 1.58 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.82 1ag1 h SER 196 CO 0.16 1.01 -2.15 0.29 -1.14 0.00 0.00 176.83 175.00 1ag1 n LYS 197 N -4.27 0.67 -0.10 3.45 4.01 0.18 -4.74 118.16 117.36 1ag1 n LYS 197 Ca 0.03 -0.08 -0.22 0.00 -0.51 0.00 0.00 58.31 57.53 1ag1 n LYS 197 Cb 0.30 -1.54 -0.07 0.00 -0.51 0.00 0.00 35.03 33.21 1ag1 n LYS 197 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1ag1 n ILE 198 N -2.54 1.20 0.00 -0.18 2.08 0.26 -5.05 119.36 115.14 1ag1 n ILE 198 Ca -0.18 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 62.86 1ag1 n ILE 198 Cb 0.87 -1.82 0.00 0.00 -0.75 0.00 0.00 39.64 37.94 1ag1 n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ag1 n GLY 199 N 1.67 4.09 0.28 7.39 0.00 -0.74 -4.95 105.19 112.92 1ag1 n GLY 199 Ca -0.40 -0.63 0.18 0.00 0.00 0.00 0.00 46.02 45.16 1ag1 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ag1 h ALA 200 N 0.00 1.00 -0.51 4.61 0.00 -1.84 -1.58 119.26 120.93 1ag1 h ALA 200 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1ag1 h ALA 200 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ag1 h ALA 200 CO 0.00 0.00 -0.05 0.38 0.00 0.00 0.00 179.25 179.58 1ag1 h ASP 201 N 0.00 0.93 0.50 0.00 2.03 -1.94 -2.15 116.42 115.80 1ag1 h ASP 201 Ca 0.00 -0.33 -0.02 0.00 -0.73 0.00 0.00 57.03 55.94 1ag1 h ASP 201 Cb 0.47 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1ag1 h ASP 201 CO 0.00 1.04 -0.24 0.58 -1.03 0.00 0.00 179.24 179.59 1ag1 h VAL 202 N 0.80 0.21 -0.90 4.15 2.07 -1.78 -2.90 116.25 117.90 1ag1 h VAL 202 Ca 0.14 -0.51 0.26 0.00 0.82 0.00 0.00 66.70 67.41 1ag1 h VAL 202 Cb 0.60 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1ag1 h VAL 202 CO 0.04 0.04 0.72 0.00 0.02 0.00 0.00 177.57 178.39 1ag1 h ALA 203 N -0.93 2.79 0.08 1.67 0.00 -1.32 0.92 119.26 122.47 1ag1 h ALA 203 Ca -0.07 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 1ag1 h ALA 203 Cb 0.58 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ag1 h ALA 203 CO 0.11 -1.19 -1.12 0.78 0.00 0.00 0.00 179.25 177.84 1ag1 h GLY 204 N 0.00 0.31 1.17 0.00 0.00 -1.35 -3.27 103.07 99.94 1ag1 h GLY 204 Ca 0.43 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1ag1 h GLY 204 CO -0.00 0.61 -0.55 1.18 0.00 0.00 0.00 176.54 177.77 1ag1 n GLU 205 N -3.58 0.19 -1.76 4.80 -0.58 0.23 -4.60 120.64 115.35 1ag1 n GLU 205 Ca -0.07 0.06 -0.42 0.00 -0.42 0.00 0.00 57.16 56.31 1ag1 n GLU 205 Cb 0.95 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 30.17 1ag1 n GLU 205 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1ag1 s LEU 206 N -3.81 4.40 -0.12 -4.62 2.96 -0.66 -4.83 118.68 112.00 1ag1 s LEU 206 Ca 0.08 2.65 -0.18 0.00 -0.22 0.00 0.00 54.13 56.47 1ag1 s LEU 206 Cb 0.15 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 1ag1 s LEU 206 CO 0.70 -0.99 0.47 -0.13 -1.32 0.00 0.00 176.35 175.08 1ag1 s ARG 207 N 3.29 4.33 -0.22 1.98 3.00 -1.26 -4.92 118.95 125.14 1ag1 s ARG 207 Ca 0.81 0.43 0.00 0.00 0.00 0.00 0.00 55.73 56.97 1ag1 s ARG 207 Cb -0.43 -3.44 0.06 0.00 0.00 0.00 0.00 34.95 31.13 1ag1 s ARG 207 CO 0.37 0.15 -0.05 0.42 0.00 0.00 0.00 175.30 176.19 1ag1 s ILE 208 N 0.66 1.38 0.21 1.52 1.01 -1.26 -1.31 121.20 123.42 1ag1 s ILE 208 Ca 0.25 -1.07 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 1ag1 s ILE 208 Cb -0.15 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 1ag1 s ILE 208 CO 0.10 -0.07 0.44 -0.76 0.00 0.00 0.00 174.94 174.65 1ag1 s LEU 209 N 1.47 4.18 -0.13 2.97 1.43 -0.20 -1.39 118.68 127.01 1ag1 s LEU 209 Ca -0.04 0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 53.58 1ag1 s LEU 209 Cb -0.18 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 1ag1 s LEU 209 CO -0.07 -0.07 0.05 -0.47 0.23 0.00 0.00 176.35 176.02 1ag1 s TYR 210 N -1.88 3.27 -0.00 0.29 5.04 -0.79 0.14 117.35 123.42 1ag1 s TYR 210 Ca 0.41 0.18 0.02 0.00 -2.44 0.00 0.00 57.07 55.24 1ag1 s TYR 210 Cb -0.11 -1.93 -0.00 0.00 0.35 0.00 0.00 41.96 40.27 1ag1 s TYR 210 CO 0.28 0.38 -0.05 0.20 -1.34 0.00 0.00 175.55 175.01 1ag1 s GLY 211 N -0.40 0.26 0.00 8.97 0.00 -0.63 -0.79 107.32 114.72 1ag1 s GLY 211 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1ag1 s GLY 211 CO 0.02 -0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.54 1ag1 n GLY 212 N 2.96 1.29 3.61 0.20 0.00 -1.26 -3.93 105.19 108.06 1ag1 n GLY 212 Ca -0.13 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 1ag1 n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ag1 n SER 213 N 0.00 -3.59 -4.81 1.61 7.64 -1.10 -4.46 113.62 108.90 1ag1 n SER 213 Ca 0.00 -0.66 -0.37 0.00 1.01 0.00 0.00 58.87 58.85 1ag1 n SER 213 Cb 0.00 -4.70 -0.06 0.00 -1.01 0.00 0.00 64.21 58.44 1ag1 n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ag1 s VAL 214 N -3.40 4.58 0.34 0.44 1.01 -1.26 -4.62 120.40 117.48 1ag1 s VAL 214 Ca 0.28 1.30 -0.01 0.00 0.00 0.00 0.00 61.98 63.54 1ag1 s VAL 214 Cb -0.13 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 1ag1 s VAL 214 CO 0.76 0.30 0.44 0.54 0.00 0.00 0.00 175.10 177.14 1ag1 s ASN 215 N -1.52 1.00 0.21 3.32 2.20 -1.26 -4.64 114.94 114.25 1ag1 s ASN 215 Ca 0.40 -1.52 -0.10 0.00 -0.94 0.00 0.00 52.86 50.70 1ag1 s ASN 215 Cb -0.18 0.64 0.29 0.00 -2.00 0.00 0.00 41.25 40.00 1ag1 s ASN 215 CO 0.21 -1.25 1.69 1.23 -2.94 0.00 0.00 177.10 176.04 1ag1 h GLY 216 N 2.12 0.71 0.85 0.45 0.00 -1.95 -1.13 103.07 104.11 1ag1 h GLY 216 Ca -0.28 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1ag1 h GLY 216 CO 0.39 -0.15 -0.36 1.70 0.00 0.00 0.00 176.54 178.11 1ag1 h LYS 217 N 0.19 -0.98 0.00 4.80 3.64 -1.95 -3.28 116.57 118.99 1ag1 h LYS 217 Ca 0.31 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1ag1 h LYS 217 Cb 0.48 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1ag1 h LYS 217 CO -0.45 -0.63 0.00 0.27 -2.27 0.00 0.00 179.45 176.37 1ag1 n ASN 218 N -5.47 0.28 -0.04 4.20 0.23 -1.20 -4.25 115.26 109.02 1ag1 n ASN 218 Ca -0.13 0.55 -0.08 0.00 -0.53 0.00 0.00 54.58 54.39 1ag1 n ASN 218 Cb 0.41 -0.62 -0.02 0.00 -2.08 0.00 0.00 39.78 37.47 1ag1 n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ag1 h ALA 219 N 2.55 0.06 -0.49 -2.53 0.00 -1.26 -3.16 119.26 114.43 1ag1 h ALA 219 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1ag1 h ALA 219 Cb 0.40 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1ag1 h ALA 219 CO 0.00 -0.54 0.06 -0.09 0.00 0.00 0.00 179.25 178.68 1ag1 h ARG 220 N -0.10 0.18 -0.30 0.00 2.43 -1.80 -0.79 114.38 114.01 1ag1 h ARG 220 Ca 0.12 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1ag1 h ARG 220 Cb 0.28 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1ag1 h ARG 220 CO -0.28 0.12 -0.14 1.79 -1.51 0.00 0.00 179.97 179.95 1ag1 h THR 221 N 0.19 1.29 -0.00 0.20 1.35 -1.85 -2.32 112.91 111.77 1ag1 h THR 221 Ca 0.25 -1.24 0.02 0.00 -0.55 0.00 0.00 66.41 64.89 1ag1 h THR 221 Cb 0.35 1.46 -0.03 0.00 -1.73 0.00 0.00 68.15 68.20 1ag1 h THR 221 CO -0.35 0.40 -0.13 -0.07 -0.25 0.00 0.00 175.52 175.11 1ag1 h LEU 222 N 0.38 -0.38 -2.40 3.87 3.38 -1.49 -1.99 115.31 116.68 1ag1 h LEU 222 Ca 0.07 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1ag1 h LEU 222 Cb 0.66 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1ag1 h LEU 222 CO 0.04 -0.18 0.13 0.22 0.09 0.00 0.00 178.44 178.74 1ag1 h TYR 223 N -0.22 0.00 0.00 1.13 3.20 -1.04 -1.25 116.97 118.79 1ag1 h TYR 223 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1ag1 h TYR 223 Cb 0.28 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1ag1 h TYR 223 CO -0.19 0.00 0.00 0.94 -1.64 0.00 0.00 178.16 177.27 1ag1 n GLN 224 N -3.60 0.12 -2.57 1.82 7.27 -0.75 -4.78 117.38 114.89 1ag1 n GLN 224 Ca -0.01 0.38 -0.36 0.00 0.07 0.00 0.00 57.00 57.09 1ag1 n GLN 224 Cb 0.22 -1.74 -0.04 0.00 2.41 0.00 0.00 30.24 31.09 1ag1 n GLN 224 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1ag1 s GLN 225 N -3.22 4.10 0.27 3.69 -1.52 -0.47 -4.95 119.66 117.57 1ag1 s GLN 225 Ca 0.05 1.44 -0.02 0.00 -1.95 0.00 0.00 55.36 54.88 1ag1 s GLN 225 Cb 0.09 -2.42 0.44 0.00 -0.22 0.00 0.00 33.01 30.90 1ag1 s GLN 225 CO 0.32 -0.19 1.89 -0.09 -0.25 0.00 0.00 175.29 176.97 1ag1 h ARG 226 N 2.26 1.11 -0.53 2.91 1.12 -1.89 -3.06 114.38 116.30 1ag1 h ARG 226 Ca -0.49 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 58.32 1ag1 h ARG 226 Cb 1.21 -0.25 0.00 0.00 -0.01 0.00 0.00 29.97 30.92 1ag1 h ARG 226 CO 0.62 0.73 0.00 -0.25 -3.11 0.00 0.00 179.97 177.96 1ag1 n ASP 227 N -4.50 4.26 -4.46 -3.80 8.00 -1.26 -4.87 116.55 109.91 1ag1 n ASP 227 Ca 0.15 -2.44 -0.43 0.00 0.71 0.00 0.00 54.79 52.78 1ag1 n ASP 227 Cb 0.20 -0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 40.70 1ag1 n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ag1 s VAL 228 N -1.82 5.15 -1.10 2.53 1.01 -1.16 -4.69 120.40 120.32 1ag1 s VAL 228 Ca 0.44 -0.53 0.17 0.00 0.00 0.00 0.00 61.98 62.06 1ag1 s VAL 228 Cb 0.29 -4.02 0.61 0.00 0.00 0.00 0.00 36.38 33.26 1ag1 s VAL 228 CO 0.21 -0.42 1.52 0.59 0.00 0.00 0.00 175.10 177.00 1ag1 n ASN 229 N 5.43 4.19 0.00 3.32 5.03 -0.49 -4.78 115.26 127.97 1ag1 n ASN 229 Ca -0.09 -2.36 0.00 0.00 0.87 0.00 0.00 54.58 53.00 1ag1 n ASN 229 Cb 0.47 -0.49 0.00 0.00 -1.02 0.00 0.00 39.78 38.73 1ag1 n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ag1 n GLY 230 N 0.89 0.05 3.27 7.41 0.00 -1.26 -1.67 105.19 113.87 1ag1 n GLY 230 Ca 0.22 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 1ag1 n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ag1 s PHE 231 N -2.77 -0.17 -0.28 1.61 0.40 0.16 -1.88 117.98 115.05 1ag1 s PHE 231 Ca 0.00 0.14 -0.02 0.00 -0.60 0.00 0.00 56.93 56.44 1ag1 s PHE 231 Cb 0.00 0.12 0.04 0.00 0.51 0.00 0.00 43.02 43.69 1ag1 s PHE 231 CO 0.00 -0.48 -0.01 -1.17 0.70 0.00 0.00 175.22 174.26 1ag1 s LEU 232 N -1.79 3.64 -0.18 -0.37 0.20 0.03 -0.81 118.68 119.39 1ag1 s LEU 232 Ca -0.08 -1.07 -0.02 0.00 0.69 0.00 0.00 54.13 53.65 1ag1 s LEU 232 Cb -0.02 -1.71 -0.00 0.00 -0.43 0.00 0.00 46.19 44.02 1ag1 s LEU 232 CO -0.00 -0.21 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.06 1ag1 s VAL 233 N 1.30 3.01 0.00 1.68 1.01 0.12 -4.06 120.40 123.47 1ag1 s VAL 233 Ca -0.03 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1ag1 s VAL 233 Cb -0.18 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1ag1 s VAL 233 CO -0.02 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1ag1 n GLY 234 N 4.37 0.39 0.34 4.51 0.00 -1.26 -0.81 105.19 112.72 1ag1 n GLY 234 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 1ag1 n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ag1 h GLY 235 N 0.00 -0.24 1.85 -0.02 0.00 -1.93 -0.01 103.07 102.72 1ag1 h GLY 235 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1ag1 h GLY 235 CO 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 176.54 176.40 1ag1 h ALA 236 N 0.78 1.05 0.00 3.60 0.00 -1.86 -0.60 119.26 122.22 1ag1 h ALA 236 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ag1 h ALA 236 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ag1 h ALA 236 CO -0.55 -0.05 0.00 -1.13 0.00 0.00 0.00 179.25 177.52 1ag1 n SER 237 N -2.46 0.43 -0.58 0.00 3.41 -0.02 -2.07 113.62 112.33 1ag1 n SER 237 Ca -0.02 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.30 1ag1 n SER 237 Cb 0.10 -0.68 0.41 0.00 -0.26 0.00 0.00 64.21 63.79 1ag1 n SER 237 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ag1 n LEU 238 N -1.94 1.84 -4.52 1.04 4.77 -0.23 -4.91 117.00 113.04 1ag1 n LEU 238 Ca 0.04 -0.61 -0.24 0.00 -0.03 0.00 0.00 56.01 55.17 1ag1 n LEU 238 Cb 0.28 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 1ag1 n LEU 238 CO 0.22 0.31 -0.43 -0.54 -1.33 0.00 0.00 177.39 175.61 1ag1 s LYS 239 N -2.03 1.87 0.32 3.23 1.02 -0.88 -5.01 119.74 118.26 1ag1 s LYS 239 Ca 0.35 -1.65 0.26 0.00 0.02 0.00 0.00 55.97 54.95 1ag1 s LYS 239 Cb 0.21 -1.89 1.00 0.00 -0.52 0.00 0.00 37.83 36.63 1ag1 s LYS 239 CO 0.34 0.34 1.77 -1.35 -0.92 0.00 0.00 175.35 175.54 1ag1 h PRO 240 N 2.18 0.00 -0.39 -1.68 0.11 -1.92 -2.00 132.00 128.31 1ag1 h PRO 240 Ca -0.41 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.81 1ag1 h PRO 240 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1ag1 h PRO 240 CO 0.60 0.00 0.38 1.49 -0.21 0.00 0.00 178.00 180.26 1ag1 h GLU 241 N 0.00 0.00 -1.00 1.05 4.81 -1.96 0.17 114.58 117.65 1ag1 h GLU 241 Ca 0.00 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.43 1ag1 h GLU 241 Cb 0.49 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.76 1ag1 h GLU 241 CO 0.00 0.00 0.61 0.35 -0.73 0.00 0.00 179.01 179.24 1ag1 h PHE 242 N 0.00 1.05 -0.82 0.92 3.57 -1.35 0.26 116.94 120.57 1ag1 h PHE 242 Ca 0.18 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.87 1ag1 h PHE 242 Cb 0.95 -0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 1ag1 h PHE 242 CO 0.00 0.22 0.54 0.28 -2.23 0.00 0.00 178.31 177.12 1ag1 h VAL 243 N 0.74 0.79 -0.15 1.41 2.07 -0.89 -0.78 116.25 119.45 1ag1 h VAL 243 Ca 0.58 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.91 1ag1 h VAL 243 Cb 0.94 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1ag1 h VAL 243 CO -0.38 0.09 0.05 0.44 0.02 0.00 0.00 177.57 177.79 1ag1 h ASP 244 N 0.52 0.21 -0.78 0.57 3.32 -0.62 -2.26 116.42 117.38 1ag1 h ASP 244 Ca 0.41 -0.20 0.17 0.00 0.02 0.00 0.00 57.03 57.43 1ag1 h ASP 244 Cb 0.84 -0.06 -0.11 0.00 0.22 0.00 0.00 39.33 40.23 1ag1 h ASP 244 CO -0.16 0.35 0.24 0.40 -1.72 0.00 0.00 179.24 178.36 1ag1 h ILE 245 N 0.06 0.53 -0.18 0.35 2.04 -1.01 -0.73 117.51 118.58 1ag1 h ILE 245 Ca 0.05 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1ag1 h ILE 245 Cb 0.22 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1ag1 h ILE 245 CO -0.00 0.06 0.09 0.40 0.00 0.00 0.00 178.15 178.69 1ag1 h ILE 246 N 0.33 1.13 0.00 -0.67 2.04 -1.17 -2.22 117.51 116.95 1ag1 h ILE 246 Ca 0.45 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1ag1 h ILE 246 Cb 0.77 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1ag1 h ILE 246 CO -0.50 0.12 0.00 0.29 0.00 0.00 0.00 178.15 178.07 1ag1 n LYS 247 N -4.88 0.17 0.00 2.37 5.02 -0.39 -2.02 118.16 118.42 1ag1 n LYS 247 Ca -0.04 0.56 0.15 0.00 -2.02 0.00 0.00 58.31 56.95 1ag1 n LYS 247 Cb 0.09 -1.93 0.65 0.00 -0.02 0.00 0.00 35.03 33.82 1ag1 n LYS 247 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ag1 n ALA 248 N -1.78 2.65 -2.88 7.82 0.00 -0.55 -4.82 120.51 120.94 1ag1 n ALA 248 Ca -0.00 -0.35 -0.33 0.00 0.00 0.00 0.00 53.44 52.76 1ag1 n ALA 248 Cb 0.11 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.13 1ag1 n ALA 248 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ag1 s THR 249 N -2.08 2.88 0.00 0.00 -4.23 -0.86 -4.69 115.64 106.66 1ag1 s THR 249 Ca 0.39 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 1ag1 s THR 249 Cb 0.21 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.89 1ag1 s THR 249 CO 0.37 0.55 0.00 0.00 -0.54 0.00 0.00 174.62 175.00