#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x1r s LYS 3 N 0.00 2.55 1.13 -1.46 1.02 -1.26 -5.02 119.74 116.70 2x1r s LYS 3 Ca 0.00 2.03 -0.18 0.00 0.02 0.00 0.00 55.97 57.84 2x1r s LYS 3 Cb 0.00 -1.85 0.26 0.00 -0.52 0.00 0.00 37.83 35.72 2x1r s LYS 3 CO 0.00 -1.59 1.19 -1.25 -0.92 0.00 0.00 175.35 172.78 2x1r s PRO 4 N -3.41 -0.65 0.02 -1.68 0.04 -1.26 -4.92 135.00 123.13 2x1r s PRO 4 Ca 0.82 -0.23 -0.33 0.00 0.04 0.00 0.00 61.00 61.29 2x1r s PRO 4 Cb -0.37 -1.68 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 2x1r s PRO 4 CO 0.40 -3.31 1.80 0.94 0.04 0.00 0.00 177.00 176.87 2x1r n GLN 5 N -4.44 2.29 -1.28 4.56 7.27 -1.26 -4.96 117.38 119.57 2x1r n GLN 5 Ca 0.14 0.84 -0.31 0.00 0.07 0.00 0.00 57.00 57.74 2x1r n GLN 5 Cb 0.60 -2.67 0.09 0.00 2.41 0.00 0.00 30.24 30.66 2x1r n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2x1r s PRO 6 N 3.06 2.30 -0.02 3.69 0.04 -1.26 -4.91 135.00 137.89 2x1r s PRO 6 Ca 0.87 1.17 0.04 0.00 0.04 0.00 0.00 61.00 63.12 2x1r s PRO 6 Cb -0.65 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 2x1r s PRO 6 CO 0.45 -1.61 -0.14 0.42 0.04 0.00 0.00 177.00 176.16 2x1r s ILE 7 N -2.89 1.11 -0.19 0.56 1.01 -0.85 -2.05 121.20 117.89 2x1r s ILE 7 Ca 0.61 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.70 2x1r s ILE 7 Cb -0.17 -0.94 0.03 0.00 0.01 0.00 0.00 42.46 41.39 2x1r s ILE 7 CO 0.56 0.32 -0.16 0.00 0.00 0.00 0.00 174.94 175.65 2x1r s ALA 8 N -0.16 2.28 -0.05 9.38 0.00 -0.80 -1.58 121.76 130.83 2x1r s ALA 8 Ca 0.02 -1.29 0.05 0.00 0.00 0.00 0.00 51.96 50.74 2x1r s ALA 8 Cb -0.07 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 2x1r s ALA 8 CO 0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 175.76 174.97 2x1r s ALA 9 N 1.29 1.88 -0.15 0.00 0.00 0.11 -1.31 121.76 123.59 2x1r s ALA 9 Ca 0.01 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 2x1r s ALA 9 Cb -0.15 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2x1r s ALA 9 CO -0.11 0.34 -0.06 0.00 0.00 0.00 0.00 175.76 175.94 2x1r s ALA 10 N -0.03 2.93 -0.33 0.00 0.00 0.50 -0.76 121.76 124.07 2x1r s ALA 10 Ca -0.05 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 2x1r s ALA 10 Cb -0.13 -1.47 0.06 0.00 0.00 0.00 0.00 23.12 21.58 2x1r s ALA 10 CO 0.03 0.24 0.07 1.21 0.00 0.00 0.00 175.76 177.32 2x1r s ASN 11 N 0.29 5.08 0.09 0.00 2.47 0.28 -0.29 114.94 122.86 2x1r s ASN 11 Ca -0.05 -1.38 -0.31 0.00 0.42 0.00 0.00 52.86 51.55 2x1r s ASN 11 Cb -0.14 -1.78 -0.07 0.00 -1.45 0.00 0.00 41.25 37.81 2x1r s ASN 11 CO 0.03 -0.33 1.37 0.86 -3.72 0.00 0.00 177.10 175.31 2x1r s TRP 12 N 1.27 3.19 -0.02 0.43 -0.11 -0.88 -3.46 118.94 119.36 2x1r s TRP 12 Ca -0.02 0.96 0.08 0.00 1.22 0.00 0.00 56.10 58.34 2x1r s TRP 12 Cb -0.20 -3.65 -0.02 0.00 -1.50 0.00 0.00 33.47 28.10 2x1r s TRP 12 CO -0.01 -2.28 -0.25 -1.59 -4.62 0.00 0.00 176.95 168.20 2x1r s LYS 13 N 1.32 2.02 0.59 5.86 -2.85 -1.26 -4.70 119.74 120.73 2x1r s LYS 13 Ca 0.64 -0.89 -0.20 0.00 -1.00 0.00 0.00 55.97 54.52 2x1r s LYS 13 Cb -0.35 -1.95 -0.04 0.00 -2.06 0.00 0.00 37.83 33.44 2x1r s LYS 13 CO 0.30 0.53 1.24 0.43 0.10 0.00 0.00 175.35 177.95 2x1r n SER 15 N 2.48 2.03 0.00 0.03 7.64 -1.26 -3.18 113.62 121.35 2x1r n SER 15 Ca -0.16 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.61 2x1r n SER 15 Cb 0.51 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 2x1r n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x1r n GLY 16 N 0.94 0.56 3.51 0.23 0.00 -1.26 -5.04 105.19 104.13 2x1r n GLY 16 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 2x1r n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2x1r n SER 17 N 0.00 0.29 0.22 1.61 2.88 -1.19 -4.88 113.62 112.55 2x1r n SER 17 Ca 0.00 1.16 0.13 0.00 -1.33 0.00 0.00 58.87 58.83 2x1r n SER 17 Cb 0.00 -1.15 0.23 0.00 -0.75 0.00 0.00 64.21 62.53 2x1r n SER 17 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2x1r h PRO 18 N 1.59 0.00 -6.98 -1.46 0.11 -1.96 -3.47 132.00 119.83 2x1r h PRO 18 Ca -0.35 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.28 2x1r h PRO 18 Cb 1.38 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.50 2x1r h PRO 18 CO 0.59 0.00 0.22 -0.51 -0.21 0.00 0.00 178.00 178.09 2x1r s ASP 19 N -6.08 6.58 -0.13 -2.05 1.01 -1.26 -5.03 116.67 109.71 2x1r s ASP 19 Ca 0.07 1.32 -0.29 0.00 0.71 0.00 0.00 52.55 54.36 2x1r s ASP 19 Cb 0.06 -2.40 -0.01 0.00 1.01 0.00 0.00 42.92 41.57 2x1r s ASP 19 CO 0.65 -0.46 0.98 -0.55 0.21 0.00 0.00 175.17 176.00 2x1r s SER 20 N -3.06 7.18 0.18 0.27 0.15 -1.26 -4.94 113.70 112.23 2x1r s SER 20 Ca 0.55 1.46 -0.13 0.00 0.70 0.00 0.00 55.95 58.52 2x1r s SER 20 Cb -0.10 -2.54 0.10 0.00 -1.71 0.00 0.00 66.02 61.77 2x1r s SER 20 CO 0.30 -0.46 1.85 0.25 1.20 0.00 0.00 173.24 176.38 2x1r h LEU 21 N 8.19 0.66 -0.47 3.45 5.85 -1.97 -1.54 115.31 129.48 2x1r h LEU 21 Ca -0.30 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 2x1r h LEU 21 Cb 1.14 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 2x1r h LEU 21 CO 0.86 0.48 0.27 0.77 -0.34 0.00 0.00 178.44 180.48 2x1r h SER 22 N 0.79 0.58 -0.69 1.25 4.64 -1.99 -0.93 113.55 117.20 2x1r h SER 22 Ca 0.22 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 2x1r h SER 22 Cb -0.08 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 2x1r h SER 22 CO -0.05 0.49 0.36 -0.33 -0.87 0.00 0.00 176.83 176.43 2x1r h GLU 23 N 0.63 0.97 -0.49 4.77 5.08 -1.92 -0.43 114.58 123.18 2x1r h GLU 23 Ca 0.17 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2x1r h GLU 23 Cb 0.03 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2x1r h GLU 23 CO -0.03 0.74 0.20 -0.07 -1.00 0.00 0.00 179.01 178.85 2x1r h LEU 24 N 0.95 0.68 -0.95 1.33 3.38 -0.99 -0.32 115.31 119.39 2x1r h LEU 24 Ca 0.24 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2x1r h LEU 24 Cb 0.06 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 2x1r h LEU 24 CO -0.04 0.65 0.58 0.40 0.09 0.00 0.00 178.44 180.13 2x1r h ILE 25 N 0.66 1.26 -0.42 1.22 2.04 -0.95 -0.02 117.51 121.30 2x1r h ILE 25 Ca 0.17 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.50 2x1r h ILE 25 Cb 0.19 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.14 2x1r h ILE 25 CO -0.01 0.27 0.22 0.44 0.00 0.00 0.00 178.15 179.07 2x1r h ASP 26 N 1.31 0.34 -0.30 1.72 3.32 -0.68 -0.20 116.42 121.93 2x1r h ASP 26 Ca 0.34 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.44 2x1r h ASP 26 Cb -0.07 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 2x1r h ASP 26 CO -0.07 0.25 0.08 0.25 -1.72 0.00 0.00 179.24 178.03 2x1r h LEU 27 N 0.45 0.06 -0.44 1.55 5.85 -0.24 -1.63 115.31 120.92 2x1r h LEU 27 Ca 0.17 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2x1r h LEU 27 Cb 0.05 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2x1r h LEU 27 CO -0.10 0.07 0.26 -0.26 -0.34 0.00 0.00 178.44 178.07 2x1r h PHE 28 N 0.20 0.58 0.00 1.25 0.04 -0.72 -1.92 116.94 116.37 2x1r h PHE 28 Ca 0.14 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 2x1r h PHE 28 Cb 0.13 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 2x1r h PHE 28 CO -0.15 0.41 -0.01 -0.91 -0.60 0.00 0.00 178.31 177.04 2x1r h ASN 29 N 0.58 0.00 0.36 2.17 2.35 -0.68 -1.67 115.58 118.69 2x1r h ASN 29 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2x1r h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2x1r h ASN 29 CO -0.03 0.01 -0.20 -1.54 -1.65 0.00 0.00 177.43 174.02 2x1r n SER 30 N -4.49 0.66 -4.75 5.81 3.41 -0.64 -4.84 113.62 108.77 2x1r n SER 30 Ca -0.03 -0.60 -0.40 0.00 -0.26 0.00 0.00 58.87 57.59 2x1r n SER 30 Cb 0.10 0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 2x1r n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2x1r s THR 31 N -2.57 4.63 -0.16 6.66 2.01 -0.63 -5.04 115.64 120.55 2x1r s THR 31 Ca 0.24 1.64 -0.22 0.00 0.31 0.00 0.00 61.69 63.67 2x1r s THR 31 Cb 0.19 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 2x1r s THR 31 CO 0.52 0.41 0.67 -0.55 -0.69 0.00 0.00 174.62 174.98 2x1r s SER 32 N -0.37 6.80 -0.12 3.53 0.15 -1.26 -5.05 113.70 117.38 2x1r s SER 32 Ca 0.38 0.97 -0.01 0.00 0.70 0.00 0.00 55.95 57.98 2x1r s SER 32 Cb -0.21 -2.37 0.03 0.00 -1.71 0.00 0.00 66.02 61.75 2x1r s SER 32 CO 0.24 -0.24 -0.05 -0.63 1.20 0.00 0.00 173.24 173.76 2x1r s ILE 33 N 1.61 0.89 -1.05 6.45 1.01 -1.26 -5.04 121.20 123.81 2x1r s ILE 33 Ca 0.32 -0.26 0.12 0.00 0.00 0.00 0.00 60.65 60.82 2x1r s ILE 33 Cb -0.16 -0.98 0.31 0.00 0.01 0.00 0.00 42.46 41.64 2x1r s ILE 33 CO 0.12 0.29 1.24 0.59 0.00 0.00 0.00 174.94 177.19 2x1r n ASN 34 N 4.98 2.92 -4.38 3.58 3.02 -1.26 -4.97 115.26 119.14 2x1r n ASN 34 Ca -0.11 -1.96 -0.20 0.00 -0.03 0.00 0.00 54.58 52.28 2x1r n ASN 34 Cb 0.50 -0.23 -0.10 0.00 -0.61 0.00 0.00 39.78 39.34 2x1r n ASN 34 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2x1r s HIS 35 N -1.00 1.88 -0.48 3.10 -3.43 -1.26 -5.08 115.29 109.01 2x1r s HIS 35 Ca 0.24 -0.53 -0.27 0.00 -0.80 0.00 0.00 55.06 53.71 2x1r s HIS 35 Cb 0.13 -0.88 -0.03 0.00 -1.43 0.00 0.00 32.58 30.37 2x1r s HIS 35 CO 0.17 0.44 1.95 0.34 -2.00 0.00 0.00 174.74 175.64 2x1r s ASP 36 N -3.38 5.33 -0.09 7.38 -1.08 -1.26 -4.94 116.67 118.63 2x1r s ASP 36 Ca 0.25 0.84 -0.06 0.00 -0.52 0.00 0.00 52.55 53.06 2x1r s ASP 36 Cb -0.01 -2.52 0.04 0.00 -1.46 0.00 0.00 42.92 38.96 2x1r s ASP 36 CO 0.09 -2.23 0.22 0.54 0.52 0.00 0.00 175.17 174.31 2x1r s VAL 37 N 8.89 -0.03 -0.35 1.11 0.11 -1.26 -4.32 120.40 124.54 2x1r s VAL 37 Ca 0.78 0.10 -0.25 0.00 -2.93 0.00 0.00 61.98 59.68 2x1r s VAL 37 Cb -0.17 -0.34 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 2x1r s VAL 37 CO 0.26 0.04 0.89 -1.58 -3.33 0.00 0.00 175.10 171.39 2x1r s GLN 38 N 0.87 3.86 0.01 1.54 2.00 -0.87 -4.91 119.66 122.16 2x1r s GLN 38 Ca -0.06 0.57 -0.10 0.00 -2.00 0.00 0.00 55.36 53.76 2x1r s GLN 38 Cb -0.08 -3.79 -0.05 0.00 0.80 0.00 0.00 33.01 29.89 2x1r s GLN 38 CO -0.05 -0.88 0.34 0.00 -0.50 0.00 0.00 175.29 174.19 2x1r s VAL 40 N -1.21 0.51 -0.27 0.00 1.01 -0.42 -0.89 120.40 119.12 2x1r s VAL 40 Ca 0.26 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.08 2x1r s VAL 40 Cb -0.14 -0.49 0.06 0.00 0.00 0.00 0.00 36.38 35.81 2x1r s VAL 40 CO 0.14 0.18 -0.08 -0.69 0.00 0.00 0.00 175.10 174.65 2x1r s VAL 41 N 0.41 2.27 -0.08 2.92 1.01 -0.61 -0.37 120.40 125.95 2x1r s VAL 41 Ca -0.05 -1.69 -0.15 0.00 0.00 0.00 0.00 61.98 60.09 2x1r s VAL 41 Cb -0.09 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 2x1r s VAL 41 CO -0.00 -0.10 0.39 0.00 0.00 0.00 0.00 175.10 175.39 2x1r s ALA 42 N 1.10 3.61 0.10 5.51 0.00 0.61 -1.39 121.76 131.28 2x1r s ALA 42 Ca -0.07 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 51.69 2x1r s ALA 42 Cb -0.20 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 2x1r s ALA 42 CO -0.05 0.23 -0.20 0.45 0.00 0.00 0.00 175.76 176.19 2x1r s SER 43 N -0.14 2.44 0.71 0.00 0.15 -0.43 -2.08 113.70 114.34 2x1r s SER 43 Ca 0.22 -0.67 -0.13 0.00 0.70 0.00 0.00 55.95 56.08 2x1r s SER 43 Cb -0.15 -0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.05 2x1r s SER 43 CO 0.10 0.05 1.09 0.42 1.20 0.00 0.00 173.24 176.10 2x1r s THR 44 N -1.15 3.43 0.29 6.45 -4.23 -1.26 -3.63 115.64 115.54 2x1r s THR 44 Ca 0.06 0.55 0.04 0.00 -1.18 0.00 0.00 61.69 61.16 2x1r s THR 44 Cb -0.10 -3.09 0.29 0.00 1.34 0.00 0.00 72.50 70.94 2x1r s THR 44 CO 0.04 -0.52 1.79 0.15 -0.54 0.00 0.00 174.62 175.54 2x1r h PHE 45 N -0.51 1.06 0.00 3.99 3.04 -1.98 -1.92 116.94 120.62 2x1r h PHE 45 Ca -0.45 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.50 2x1r h PHE 45 Cb 1.23 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 39.42 2x1r h PHE 45 CO 0.57 0.29 -0.15 -0.24 -2.02 0.00 0.00 178.31 176.76 2x1r h VAL 46 N 0.81 0.76 -0.12 1.41 3.04 -2.03 -2.55 116.25 117.57 2x1r h VAL 46 Ca 0.54 -0.61 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2x1r h VAL 46 Cb 0.76 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 2x1r h VAL 46 CO -0.35 0.15 0.00 1.41 -1.01 0.00 0.00 177.57 177.77 2x1r n HIS 47 N -3.84 0.14 0.16 3.17 8.25 -0.75 -4.68 115.22 117.67 2x1r n HIS 47 Ca -0.02 -0.10 -0.14 0.00 -0.26 0.00 0.00 57.72 57.20 2x1r n HIS 47 Cb 0.25 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.29 2x1r n HIS 47 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2x1r h LEU 48 N 3.37 -0.96 -0.55 2.41 5.85 -1.17 -0.54 115.31 123.72 2x1r h LEU 48 Ca 0.00 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2x1r h LEU 48 Cb 0.75 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 2x1r h LEU 48 CO 0.00 -0.45 0.36 0.00 -0.34 0.00 0.00 178.44 178.02 2x1r h ALA 49 N -0.07 0.70 0.32 1.25 0.00 -1.83 -0.24 119.26 119.39 2x1r h ALA 49 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2x1r h ALA 49 Cb 0.62 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2x1r h ALA 49 CO -0.14 0.13 -0.40 0.52 0.00 0.00 0.00 179.25 179.36 2x1r h MET 50 N 0.74 -0.74 -0.45 0.00 2.86 -1.82 -1.97 114.93 113.56 2x1r h MET 50 Ca 0.20 0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.97 2x1r h MET 50 Cb -0.08 0.17 -0.07 0.00 0.06 0.00 0.00 31.60 31.68 2x1r h MET 50 CO -0.05 -0.49 0.05 1.15 1.06 0.00 0.00 176.91 178.63 2x1r h THR 51 N -0.77 0.72 -0.89 2.22 2.02 -0.79 -1.98 112.91 113.44 2x1r h THR 51 Ca -0.02 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.11 2x1r h THR 51 Cb 0.71 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 2x1r h THR 51 CO -0.11 0.03 0.58 0.50 0.37 0.00 0.00 175.52 176.89 2x1r h LYS 52 N 0.18 1.17 -0.52 6.66 3.64 -0.93 -0.72 116.57 126.05 2x1r h LYS 52 Ca 0.22 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 2x1r h LYS 52 Cb 0.30 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2x1r h LYS 52 CO -0.32 0.78 -0.07 1.49 -2.27 0.00 0.00 179.45 179.07 2x1r h GLU 53 N 1.21 0.94 0.08 1.90 4.57 -0.85 -3.31 114.58 119.11 2x1r h GLU 53 Ca 0.32 -0.31 -0.28 0.00 -1.18 0.00 0.00 59.36 57.91 2x1r h GLU 53 Cb -0.13 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.36 2x1r h GLU 53 CO -0.07 0.97 -1.45 0.00 -1.18 0.00 0.00 179.01 177.28 2x1r h ARG 54 N 0.85 0.16 -6.21 1.92 2.47 -1.06 -3.45 114.38 109.05 2x1r h ARG 54 Ca 0.14 -0.28 -0.56 0.00 -1.26 0.00 0.00 59.98 58.03 2x1r h ARG 54 Cb 0.59 0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.97 2x1r h ARG 54 CO 0.04 1.00 0.46 -1.17 0.56 0.00 0.00 179.97 180.85 2x1r s LEU 55 N -6.79 4.26 0.00 3.04 2.96 -0.30 -4.91 118.68 116.94 2x1r s LEU 55 Ca -0.06 1.46 0.00 0.00 -0.22 0.00 0.00 54.13 55.31 2x1r s LEU 55 Cb 0.08 -3.46 0.00 0.00 0.50 0.00 0.00 46.19 43.31 2x1r s LEU 55 CO 0.84 -0.38 0.07 -1.54 -1.32 0.00 0.00 176.35 174.03 2x1r n SER 56 N 4.74 0.14 -4.72 3.68 3.41 -1.26 -4.89 113.62 114.71 2x1r n SER 56 Ca 0.07 -0.89 -0.43 0.00 -0.26 0.00 0.00 58.87 57.36 2x1r n SER 56 Cb 0.49 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 2x1r n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2x1r n HIS 57 N -0.02 2.68 0.21 7.33 -0.00 -1.26 -4.86 115.22 119.30 2x1r n HIS 57 Ca 0.00 0.24 0.16 0.00 -0.00 0.00 0.00 57.72 58.12 2x1r n HIS 57 Cb 0.18 -2.59 0.81 0.00 -0.00 0.00 0.00 29.99 28.40 2x1r n HIS 57 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2x1r h PRO 58 N 5.14 0.00 -0.02 1.57 0.11 -1.98 -1.38 132.00 135.43 2x1r h PRO 58 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2x1r h PRO 58 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2x1r h PRO 58 CO 0.82 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.24 2x1r n LYS 59 N -3.97 1.77 -4.31 1.05 5.02 -1.26 -4.91 118.16 111.55 2x1r n LYS 59 Ca 0.01 -1.12 -0.34 0.00 -2.02 0.00 0.00 58.31 54.83 2x1r n LYS 59 Cb 0.26 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.71 2x1r n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2x1r s PHE 60 N -2.00 3.18 0.21 2.13 0.40 -0.52 -0.96 117.98 120.42 2x1r s PHE 60 Ca 0.36 0.19 0.09 0.00 -0.60 0.00 0.00 56.93 56.98 2x1r s PHE 60 Cb 0.21 -1.77 -0.05 0.00 0.51 0.00 0.00 43.02 41.92 2x1r s PHE 60 CO 0.33 0.49 -0.17 0.14 0.70 0.00 0.00 175.22 176.70 2x1r s VAL 61 N -0.95 1.97 0.17 -0.44 -7.23 -0.07 -4.81 120.40 109.03 2x1r s VAL 61 Ca 0.15 -2.15 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 2x1r s VAL 61 Cb -0.11 -2.04 -0.06 0.00 0.56 0.00 0.00 36.38 34.72 2x1r s VAL 61 CO 0.05 -0.43 0.45 -0.63 -0.31 0.00 0.00 175.10 174.22 2x1r s ILE 62 N -2.50 5.06 0.06 -0.62 1.09 -1.26 -1.58 121.20 121.46 2x1r s ILE 62 Ca 0.22 0.26 0.05 0.00 -1.10 0.00 0.00 60.65 60.08 2x1r s ILE 62 Cb -0.04 -3.63 -0.03 0.00 -1.06 0.00 0.00 42.46 37.71 2x1r s ILE 62 CO 0.09 0.03 -0.14 0.00 -0.10 0.00 0.00 174.94 174.82 2x1r s ALA 63 N -1.68 1.19 0.72 9.38 0.00 -0.49 -3.90 121.76 126.98 2x1r s ALA 63 Ca 0.42 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.39 2x1r s ALA 63 Cb -0.12 -0.12 0.11 0.00 0.00 0.00 0.00 23.12 22.98 2x1r s ALA 63 CO 0.22 0.19 1.01 0.00 0.00 0.00 0.00 175.76 177.18 2x1r s ALA 64 N -1.15 3.42 -0.01 0.00 0.00 -0.56 -1.32 121.76 122.15 2x1r s ALA 64 Ca -0.01 -1.43 0.04 0.00 0.00 0.00 0.00 51.96 50.57 2x1r s ALA 64 Cb -0.09 -2.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 2x1r s ALA 64 CO 0.02 -1.45 -0.13 -0.65 0.00 0.00 0.00 175.76 173.55 2x1r s GLN 65 N -5.20 1.06 0.00 0.00 -0.21 -1.24 -0.87 119.66 113.20 2x1r s GLN 65 Ca 0.65 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.52 2x1r s GLN 65 Cb -0.07 -1.03 0.00 0.00 1.00 0.00 0.00 33.01 32.91 2x1r s GLN 65 CO 0.45 0.28 0.00 0.09 -2.12 0.00 0.00 175.29 173.98 2x1r n ASN 66 N 2.67 0.00 -4.67 5.90 3.02 -0.23 -4.88 115.26 117.07 2x1r n ASN 66 Ca -0.14 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 53.95 2x1r n ASN 66 Cb 0.55 -1.05 -0.03 0.00 -0.61 0.00 0.00 39.78 38.64 2x1r n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x1r n ALA 67 N 0.69 1.20 -0.67 5.41 0.00 -1.26 -4.87 120.51 121.02 2x1r n ALA 67 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2x1r n ALA 67 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.14 2x1r n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x1r n GLY 68 N 2.74 -0.45 3.44 0.00 0.00 -1.26 -4.93 105.19 104.73 2x1r n GLY 68 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2x1r n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x1r s ASN 69 N -0.18 4.58 0.25 1.61 3.84 -1.26 -4.89 114.94 118.90 2x1r s ASN 69 Ca 0.00 -0.21 -0.03 0.00 0.21 0.00 0.00 52.86 52.84 2x1r s ASN 69 Cb 0.00 -1.75 0.52 0.00 -0.55 0.00 0.00 41.25 39.47 2x1r s ASN 69 CO 0.00 0.13 1.71 0.00 -2.79 0.00 0.00 177.10 176.15 2x1r h ALA 70 N 6.96 1.11 -0.64 1.71 0.00 -1.96 0.23 119.26 126.66 2x1r h ALA 70 Ca -0.32 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2x1r h ALA 70 Cb 1.19 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2x1r h ALA 70 CO 0.61 -0.27 0.06 -0.44 0.00 0.00 0.00 179.25 179.21 2x1r h ASP 71 N 0.39 1.06 -0.61 0.00 3.32 -1.99 -1.72 116.42 116.86 2x1r h ASP 71 Ca 0.45 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 2x1r h ASP 71 Cb 0.74 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2x1r h ASP 71 CO -0.46 1.07 0.04 0.00 -1.72 0.00 0.00 179.24 178.17 2x1r h ALA 72 N 1.02 0.89 -0.14 3.45 0.00 -1.55 -1.50 119.26 121.43 2x1r h ALA 72 Ca 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2x1r h ALA 72 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2x1r h ALA 72 CO 0.02 0.66 0.05 -0.07 0.00 0.00 0.00 179.25 179.91 2x1r h LEU 80 N 0.98 0.20 -1.07 0.00 3.38 -0.88 -0.61 115.31 117.31 2x1r h LEU 80 Ca 0.18 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2x1r h LEU 80 Cb 0.51 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2x1r h LEU 80 CO 0.02 0.34 0.63 0.00 0.09 0.00 0.00 178.44 179.52 2x1r h ALA 81 N 0.87 1.32 -0.41 1.53 0.00 -1.25 -0.61 119.26 120.71 2x1r h ALA 81 Ca 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2x1r h ALA 81 Cb 0.21 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2x1r h ALA 81 CO -0.00 0.63 0.11 1.03 0.00 0.00 0.00 179.25 181.01 2x1r h SER 82 N 1.29 0.61 -0.23 0.00 0.87 -1.02 0.04 113.55 115.11 2x1r h SER 82 Ca 0.35 -0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.72 2x1r h SER 82 Cb -0.15 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.61 2x1r h SER 82 CO -0.07 0.68 0.02 -0.07 -0.53 0.00 0.00 176.83 176.85 2x1r h LEU 83 N 0.52 -0.05 -0.07 2.23 3.38 -0.55 -0.96 115.31 119.80 2x1r h LEU 83 Ca 0.13 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.17 2x1r h LEU 83 Cb 0.30 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2x1r h LEU 83 CO 0.00 0.01 -0.11 0.11 0.09 0.00 0.00 178.44 178.54 2x1r h LYS 84 N 0.10 -0.14 -0.97 1.13 1.79 -0.82 -1.04 116.57 116.61 2x1r h LYS 84 Ca 0.11 0.01 0.21 0.00 -2.18 0.00 0.00 60.65 58.80 2x1r h LYS 84 Cb 0.13 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 30.72 2x1r h LYS 84 CO -0.17 -0.09 0.62 -0.44 -1.08 0.00 0.00 179.45 178.29 2x1r h ASP 85 N -0.15 0.58 0.02 0.86 3.32 -0.71 0.10 116.42 120.45 2x1r h ASP 85 Ca 0.06 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2x1r h ASP 85 Cb 0.24 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2x1r h ASP 85 CO -0.16 0.20 0.00 0.33 -1.72 0.00 0.00 179.24 177.89 2x1r n PHE 86 N -4.64 0.00 -0.57 4.55 7.35 -0.39 -4.87 117.46 118.88 2x1r n PHE 86 Ca 0.22 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 2x1r n PHE 86 Cb 0.67 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.49 2x1r n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x1r n GLY 87 N 0.89 0.66 3.63 7.13 0.00 0.35 -5.06 105.19 112.79 2x1r n GLY 87 Ca 0.22 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 2x1r n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x1r s VAL 88 N -2.00 5.23 -0.34 1.61 1.01 -0.77 -4.96 120.40 120.18 2x1r s VAL 88 Ca 0.00 0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.52 2x1r s VAL 88 Cb 0.00 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2x1r s VAL 88 CO 0.00 0.22 0.30 0.59 0.00 0.00 0.00 175.10 176.22 2x1r n ASN 89 N 4.92 0.45 -4.39 3.32 5.03 -1.26 -3.79 115.26 119.54 2x1r n ASN 89 Ca -0.10 -0.72 -0.25 0.00 0.87 0.00 0.00 54.58 54.38 2x1r n ASN 89 Cb 0.51 0.86 -0.12 0.00 -1.02 0.00 0.00 39.78 40.01 2x1r n ASN 89 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2x1r s TRP 90 N -1.39 2.11 -0.08 3.10 0.52 -1.25 -0.27 118.94 121.68 2x1r s TRP 90 Ca 0.03 -0.40 -0.14 0.00 0.02 0.00 0.00 56.10 55.61 2x1r s TRP 90 Cb 0.04 -1.05 0.03 0.00 -1.15 0.00 0.00 33.47 31.35 2x1r s TRP 90 CO 0.21 0.43 0.36 -1.50 0.02 0.00 0.00 176.95 176.47 2x1r s ILE 91 N -1.81 0.02 -0.17 2.03 2.07 -0.54 -1.50 121.20 121.31 2x1r s ILE 91 Ca 0.19 -0.20 -0.07 0.00 -1.41 0.00 0.00 60.65 59.16 2x1r s ILE 91 Cb -0.07 -0.58 -0.04 0.00 0.13 0.00 0.00 42.46 41.90 2x1r s ILE 91 CO 0.09 -0.11 0.05 -0.69 -1.91 0.00 0.00 174.94 172.37 2x1r s VAL 92 N -0.48 4.71 0.10 4.00 1.01 -0.05 -0.57 120.40 129.12 2x1r s VAL 92 Ca -0.06 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2x1r s VAL 92 Cb -0.04 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 2x1r s VAL 92 CO 0.02 0.47 -0.12 -0.76 0.00 0.00 0.00 175.10 174.72 2x1r s LEU 93 N 0.28 2.37 -0.22 3.92 1.43 -0.45 -1.07 118.68 124.95 2x1r s LEU 93 Ca 0.03 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 2x1r s LEU 93 Cb -0.12 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.67 2x1r s LEU 93 CO 0.00 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.01 2x1r n GLY 94 N 0.73 0.54 3.67 -3.19 0.00 -1.26 -1.30 105.19 104.39 2x1r n GLY 94 Ca -0.17 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 2x1r n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2x1r n HIS 95 N -2.81 1.39 -0.19 1.61 -0.00 -1.26 -4.47 115.22 109.49 2x1r n HIS 95 Ca -0.02 0.43 -0.05 0.00 0.46 0.00 0.00 57.72 58.54 2x1r n HIS 95 Cb 0.13 -2.21 -0.04 0.00 -0.12 0.00 0.00 29.99 27.75 2x1r n HIS 95 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2x1r n SER 96 N -1.30 -0.47 0.26 0.26 3.41 -1.26 -0.66 113.62 113.86 2x1r n SER 96 Ca 0.15 0.97 0.11 0.00 -0.26 0.00 0.00 58.87 59.84 2x1r n SER 96 Cb 0.48 -0.19 0.70 0.00 -0.26 0.00 0.00 64.21 64.94 2x1r n SER 96 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2x1r h GLU 97 N 0.00 0.00 -0.74 4.33 9.09 -1.97 -0.29 114.58 125.00 2x1r h GLU 97 Ca 0.07 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.54 2x1r h GLU 97 Cb 0.18 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.24 2x1r h GLU 97 CO -0.42 0.12 0.49 0.00 0.05 0.00 0.00 179.01 179.24 2x1r h ARG 98 N 0.00 0.79 0.00 1.06 2.47 -1.21 -0.04 114.38 117.45 2x1r h ARG 98 Ca -0.00 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2x1r h ARG 98 Cb 0.28 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2x1r h ARG 98 CO 0.02 0.52 -0.03 0.00 0.56 0.00 0.00 179.97 181.04 2x1r h ARG 99 N 0.81 0.00 0.00 0.04 3.08 -1.10 0.60 114.38 117.82 2x1r h ARG 99 Ca 0.31 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.34 2x1r h ARG 99 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2x1r h ARG 99 CO -0.10 0.55 -0.20 0.11 -1.07 0.00 0.00 179.97 179.26 2x1r h TRP 100 N -1.00 0.00 0.00 3.04 5.08 -1.31 -3.16 115.95 118.60 2x1r h TRP 100 Ca -0.01 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.85 2x1r h TRP 100 Cb 0.56 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.70 2x1r h TRP 100 CO 0.15 0.11 -1.13 0.98 -1.28 0.00 0.00 178.44 177.27 2x1r n TYR 101 N -3.09 0.00 0.76 0.12 9.36 -0.09 -4.74 117.16 119.47 2x1r n TYR 101 Ca 0.03 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.36 2x1r n TYR 101 Cb 0.58 -0.38 0.48 0.00 -0.63 0.00 0.00 39.34 39.39 2x1r n TYR 101 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2x1r n TYR 102 N -3.82 0.05 -1.24 2.98 4.01 -0.80 -4.91 117.16 113.43 2x1r n TYR 102 Ca -0.17 0.02 -0.02 0.00 -0.16 0.00 0.00 57.90 57.56 2x1r n TYR 102 Cb 0.47 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 38.97 2x1r n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x1r n GLY 103 N 0.81 0.51 3.62 2.72 0.00 -0.87 -4.97 105.19 107.01 2x1r n GLY 103 Ca 0.05 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 2x1r n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x1r s GLU 104 N -2.54 3.68 0.96 1.61 2.02 0.15 -4.98 118.70 119.61 2x1r s GLU 104 Ca 0.00 1.39 -0.14 0.00 0.02 0.00 0.00 54.97 56.24 2x1r s GLU 104 Cb 0.00 -4.04 0.17 0.00 0.10 0.00 0.00 34.13 30.36 2x1r s GLU 104 CO 0.00 -1.43 1.17 0.95 0.02 0.00 0.00 175.26 175.98 2x1r s THR 105 N 5.42 1.93 0.26 3.63 -4.23 -1.26 -4.26 115.64 117.13 2x1r s THR 105 Ca 0.68 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.17 2x1r s THR 105 Cb -0.21 -2.78 0.23 0.00 1.34 0.00 0.00 72.50 71.09 2x1r s THR 105 CO 0.30 0.00 1.81 0.78 -0.54 0.00 0.00 174.62 176.97 2x1r h ASN 106 N -1.67 0.72 -0.26 3.99 2.35 -1.96 -1.77 115.58 116.98 2x1r h ASN 106 Ca -0.48 0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.25 2x1r h ASN 106 Cb 1.31 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 2x1r h ASN 106 CO 0.53 0.39 -0.11 -0.33 -1.65 0.00 0.00 177.43 176.26 2x1r h GLU 107 N 0.82 0.53 -0.43 0.81 3.07 -1.92 0.34 114.58 117.80 2x1r h GLU 107 Ca 0.43 -0.23 0.03 0.00 -0.50 0.00 0.00 59.36 59.09 2x1r h GLU 107 Cb 0.42 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 2x1r h GLU 107 CO -0.26 0.78 0.24 0.82 -1.40 0.00 0.00 179.01 179.18 2x1r h ILE 108 N 0.26 1.01 -0.45 3.13 2.04 -1.85 0.37 117.51 122.02 2x1r h ILE 108 Ca 0.06 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2x1r h ILE 108 Cb 0.61 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2x1r h ILE 108 CO 0.03 0.09 0.29 0.58 0.00 0.00 0.00 178.15 179.14 2x1r h VAL 109 N 0.48 1.13 -0.65 1.67 2.07 -1.14 -0.95 116.25 118.85 2x1r h VAL 109 Ca 0.18 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2x1r h VAL 109 Cb 0.05 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2x1r h VAL 109 CO -0.10 0.12 0.33 0.00 0.02 0.00 0.00 177.57 177.94 2x1r h ALA 110 N 1.15 1.35 -0.42 1.67 0.00 -0.51 -0.74 119.26 121.76 2x1r h ALA 110 Ca 0.16 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2x1r h ALA 110 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2x1r h ALA 110 CO -0.03 0.51 0.03 -0.44 0.00 0.00 0.00 179.25 179.32 2x1r h ASP 111 N 0.92 0.70 -0.85 0.00 3.32 -0.42 -1.46 116.42 118.62 2x1r h ASP 111 Ca 0.23 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 2x1r h ASP 111 Cb 0.07 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 2x1r h ASP 111 CO -0.03 0.81 0.42 0.11 -1.72 0.00 0.00 179.24 178.82 2x1r h LYS 112 N 0.56 1.23 -0.49 3.56 1.57 -0.67 -0.66 116.57 121.67 2x1r h LYS 112 Ca 0.12 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2x1r h LYS 112 Cb 0.43 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2x1r h LYS 112 CO 0.02 0.94 0.28 0.28 -0.57 0.00 0.00 179.45 180.39 2x1r h VAL 113 N 1.22 1.17 -0.44 0.50 2.07 -0.92 -0.91 116.25 118.93 2x1r h VAL 113 Ca 0.29 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2x1r h VAL 113 Cb 0.11 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2x1r h VAL 113 CO -0.04 0.17 0.12 0.00 0.02 0.00 0.00 177.57 177.85 2x1r h ALA 114 N 1.12 0.57 -0.18 1.67 0.00 -1.00 -1.65 119.26 119.79 2x1r h ALA 114 Ca 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2x1r h ALA 114 Cb 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2x1r h ALA 114 CO -0.03 0.24 0.07 0.00 0.00 0.00 0.00 179.25 179.53 2x1r h ALA 115 N 0.98 0.20 0.07 0.00 0.00 -0.90 -1.95 119.26 117.66 2x1r h ALA 115 Ca 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2x1r h ALA 115 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2x1r h ALA 115 CO -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 179.25 178.86 2x1r h ALA 116 N 1.10 -0.09 -0.86 0.00 0.00 -1.07 -1.95 119.26 116.38 2x1r h ALA 116 Ca 0.07 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2x1r h ALA 116 Cb 0.03 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 2x1r h ALA 116 CO -0.07 -0.54 0.52 0.28 0.00 0.00 0.00 179.25 179.44 2x1r h VAL 117 N -0.12 0.95 0.00 0.00 2.07 -1.21 -0.45 116.25 117.49 2x1r h VAL 117 Ca -0.01 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 2x1r h VAL 117 Cb 0.10 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2x1r h VAL 117 CO 0.02 0.16 -0.21 0.00 0.02 0.00 0.00 177.57 177.55 2x1r h ALA 118 N 1.45 1.24 -0.33 1.67 0.00 -1.05 -1.47 119.26 120.77 2x1r h ALA 118 Ca 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2x1r h ALA 118 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2x1r h ALA 118 CO -0.23 0.27 0.00 0.43 0.00 0.00 0.00 179.25 179.72 2x1r n SER 119 N -3.69 2.25 0.00 0.00 7.64 -0.24 -4.92 113.62 114.67 2x1r n SER 119 Ca -0.01 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.74 2x1r n SER 119 Cb 0.33 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2x1r n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x1r n GLY 120 N 0.83 0.52 3.86 0.23 0.00 -0.55 -4.92 105.19 105.16 2x1r n GLY 120 Ca 0.12 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 2x1r n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1r s PHE 121 N -2.00 3.44 0.06 1.61 0.40 -0.81 -4.95 117.98 115.73 2x1r s PHE 121 Ca 0.00 1.09 -0.27 0.00 -0.60 0.00 0.00 56.93 57.14 2x1r s PHE 121 Cb 0.00 -2.42 -0.05 0.00 0.51 0.00 0.00 43.02 41.06 2x1r s PHE 121 CO 0.00 0.21 0.86 -1.64 0.70 0.00 0.00 175.22 175.36 2x1r s MET 122 N -2.73 4.58 -0.15 0.44 -1.94 0.63 -4.46 119.30 115.67 2x1r s MET 122 Ca 0.49 1.24 0.02 0.00 -1.71 0.00 0.00 55.69 55.73 2x1r s MET 122 Cb -0.12 -3.38 0.01 0.00 2.01 0.00 0.00 34.83 33.35 2x1r s MET 122 CO 0.19 0.21 -0.20 0.08 -0.01 0.00 0.00 175.02 175.29 2x1r s VAL 123 N 0.13 2.19 -0.47 -6.03 1.01 -0.04 -1.46 120.40 115.72 2x1r s VAL 123 Ca 0.43 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 2x1r s VAL 123 Cb -0.21 -1.90 0.06 0.00 0.00 0.00 0.00 36.38 34.32 2x1r s VAL 123 CO 0.26 0.54 0.46 -0.63 0.00 0.00 0.00 175.10 175.73 2x1r s ILE 124 N 0.93 5.11 -0.28 2.22 1.01 0.26 -0.44 121.20 130.02 2x1r s ILE 124 Ca -0.04 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 2x1r s ILE 124 Cb -0.15 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 2x1r s ILE 124 CO -0.04 -0.60 0.18 0.00 0.00 0.00 0.00 174.94 174.48 2x1r s ALA 125 N 2.01 3.48 -0.02 9.38 0.00 0.26 -1.34 121.76 135.54 2x1r s ALA 125 Ca 0.09 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 2x1r s ALA 125 Cb -0.21 -2.45 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 2x1r s ALA 125 CO 0.10 -0.58 0.37 0.00 0.00 0.00 0.00 175.76 175.65 2x1r s ILE 127 N -0.96 0.61 0.00 0.00 -4.36 -0.45 -4.60 121.20 111.44 2x1r s ILE 127 Ca 0.22 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 2x1r s ILE 127 Cb -0.16 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.98 2x1r s ILE 127 CO 0.12 -0.07 0.00 0.61 0.24 0.00 0.00 174.94 175.84 2x1r n GLY 128 N -0.45 3.56 3.94 6.27 0.00 -1.26 -1.33 105.19 115.93 2x1r n GLY 128 Ca -0.01 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 2x1r n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x1r s GLU 129 N -2.30 3.50 0.83 1.61 1.03 -1.26 -4.71 118.70 117.40 2x1r s GLU 129 Ca 0.00 -0.38 -0.11 0.00 0.03 0.00 0.00 54.97 54.51 2x1r s GLU 129 Cb 0.00 -2.76 0.12 0.00 -0.80 0.00 0.00 34.13 30.69 2x1r s GLU 129 CO 0.00 0.29 1.17 0.95 -1.33 0.00 0.00 175.26 176.34 2x1r s THR 130 N -2.08 2.08 0.15 1.83 -4.23 -1.26 -0.66 115.64 111.47 2x1r s THR 130 Ca 0.39 -0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.66 2x1r s THR 130 Cb -0.10 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.80 2x1r s THR 130 CO 0.32 0.00 1.60 0.25 -0.54 0.00 0.00 174.62 176.25 2x1r h LEU 131 N -1.10 0.88 -0.68 4.79 5.85 -1.97 -1.21 115.31 121.88 2x1r h LEU 131 Ca -0.44 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.00 2x1r h LEU 131 Cb 1.29 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 2x1r h LEU 131 CO 0.53 0.98 0.41 -0.61 -0.34 0.00 0.00 178.44 179.41 2x1r h GLN 132 N 0.76 0.75 -0.12 1.25 -0.00 -1.98 -0.73 115.11 115.05 2x1r h GLN 132 Ca 0.14 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.73 2x1r h GLN 132 Cb 0.54 -0.17 -0.00 0.00 0.00 0.00 0.00 27.48 27.85 2x1r h GLN 132 CO 0.03 0.50 0.01 0.93 0.00 0.00 0.00 178.83 180.30 2x1r h GLU 133 N 0.78 0.20 -0.32 1.69 5.08 -1.87 -0.89 114.58 119.24 2x1r h GLU 133 Ca 0.29 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.65 2x1r h GLU 133 Cb 0.09 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 2x1r h GLU 133 CO -0.14 0.42 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.13 2x1r h ARG 134 N -0.05 0.01 0.00 2.33 9.65 -1.12 0.16 114.38 125.35 2x1r h ARG 134 Ca 0.03 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2x1r h ARG 134 Cb 0.32 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 2x1r h ARG 134 CO 0.00 0.00 0.00 0.93 2.80 0.00 0.00 179.97 183.71 2x1r h GLU 135 N 0.01 0.00 -0.57 0.20 5.08 -0.96 -2.48 114.58 115.86 2x1r h GLU 135 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2x1r h GLU 135 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2x1r h GLU 135 CO -0.32 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.56 2x1r n SER 136 N -2.38 4.31 -0.54 1.42 3.41 -0.36 -4.95 113.62 114.55 2x1r n SER 136 Ca 0.03 -2.39 -0.07 0.00 -0.26 0.00 0.00 58.87 56.18 2x1r n SER 136 Cb 0.31 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 2x1r n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x1r n GLY 137 N 0.92 0.85 1.40 5.00 0.00 -0.93 -4.93 105.19 107.49 2x1r n GLY 137 Ca 0.23 -0.73 0.10 0.00 0.00 0.00 0.00 46.02 45.61 2x1r n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x1r n ARG 138 N -2.72 3.39 0.02 1.61 1.74 0.52 -4.65 116.66 116.57 2x1r n ARG 138 Ca -0.07 -2.76 -0.10 0.00 -0.77 0.00 0.00 57.85 54.15 2x1r n ARG 138 Cb 0.25 -1.76 -0.04 0.00 -1.02 0.00 0.00 32.46 29.90 2x1r n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2x1r h THR 139 N 3.80 0.56 -0.12 0.55 2.02 -1.84 -1.45 112.91 116.44 2x1r h THR 139 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2x1r h THR 139 Cb 1.28 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 2x1r h THR 139 CO 0.16 0.00 0.06 0.00 0.37 0.00 0.00 175.52 176.11 2x1r h ALA 140 N 0.75 0.14 -0.68 6.16 0.00 -1.95 -1.35 119.26 122.34 2x1r h ALA 140 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2x1r h ALA 140 Cb 0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2x1r h ALA 140 CO -0.22 -0.38 0.37 0.28 0.00 0.00 0.00 179.25 179.30 2x1r h VAL 141 N 0.14 1.21 0.17 0.00 2.07 -1.84 -1.39 116.25 116.60 2x1r h VAL 141 Ca 0.05 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2x1r h VAL 141 Cb -0.00 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2x1r h VAL 141 CO -0.02 0.23 -0.08 0.58 0.02 0.00 0.00 177.57 178.30 2x1r h VAL 142 N 0.93 0.89 -0.65 2.57 2.07 -1.03 -1.08 116.25 119.95 2x1r h VAL 142 Ca 0.24 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2x1r h VAL 142 Cb 0.04 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2x1r h VAL 142 CO -0.04 0.06 0.27 0.58 0.02 0.00 0.00 177.57 178.46 2x1r h VAL 143 N -0.34 1.23 -0.12 2.57 2.07 -1.16 -1.15 116.25 119.35 2x1r h VAL 143 Ca -0.02 -0.70 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 2x1r h VAL 143 Cb 0.26 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2x1r h VAL 143 CO 0.04 0.28 -0.37 -0.07 0.02 0.00 0.00 177.57 177.47 2x1r h LEU 144 N 0.90 0.27 -0.28 2.57 3.38 -1.26 -1.87 115.31 119.03 2x1r h LEU 144 Ca 0.22 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2x1r h LEU 144 Cb 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2x1r h LEU 144 CO -0.02 0.62 0.04 0.74 0.09 0.00 0.00 178.44 179.91 2x1r h THR 145 N 0.22 1.24 -0.65 0.22 2.02 -0.66 -0.37 112.91 114.93 2x1r h THR 145 Ca 0.03 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 66.33 2x1r h THR 145 Cb 0.75 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 2x1r h THR 145 CO 0.06 0.26 0.14 1.56 0.37 0.00 0.00 175.52 177.91 2x1r h GLN 146 N 0.27 1.05 0.01 6.66 4.20 -1.06 -2.40 115.11 123.84 2x1r h GLN 146 Ca 0.08 -0.26 -0.19 0.00 0.06 0.00 0.00 58.65 58.34 2x1r h GLN 146 Cb 0.35 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2x1r h GLN 146 CO 0.01 0.95 -0.88 0.97 -0.67 0.00 0.00 178.83 179.21 2x1r h ILE 147 N 0.97 1.59 -0.44 2.54 2.10 -1.34 -3.02 117.51 119.92 2x1r h ILE 147 Ca 0.20 -2.90 -0.04 0.00 1.08 0.00 0.00 64.86 63.20 2x1r h ILE 147 Cb 0.38 2.59 -0.02 0.00 -1.09 0.00 0.00 36.82 38.68 2x1r h ILE 147 CO 0.01 0.83 0.12 0.00 -1.08 0.00 0.00 178.15 178.03 2x1r h ALA 148 N 1.08 1.39 -0.52 0.18 0.00 -0.90 0.02 119.26 120.52 2x1r h ALA 148 Ca -0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2x1r h ALA 148 Cb 1.54 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2x1r h ALA 148 CO 0.12 0.44 -0.03 0.00 0.00 0.00 0.00 179.25 179.79 2x1r h ALA 149 N 1.50 0.70 -0.14 0.00 0.00 -1.39 -1.79 119.26 118.14 2x1r h ALA 149 Ca 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2x1r h ALA 149 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2x1r h ALA 149 CO -0.01 0.54 0.07 0.82 0.00 0.00 0.00 179.25 180.67 2x1r h ILE 150 N 0.80 1.12 -0.08 0.00 2.04 -1.32 -3.03 117.51 117.04 2x1r h ILE 150 Ca 0.14 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2x1r h ILE 150 Cb 0.56 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2x1r h ILE 150 CO 0.03 0.11 0.02 0.00 0.00 0.00 0.00 178.15 178.31 2x1r h ALA 151 N 0.95 1.89 0.00 1.87 0.00 -0.81 -2.13 119.26 121.03 2x1r h ALA 151 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2x1r h ALA 151 Cb 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2x1r h ALA 151 CO -0.01 0.09 -0.10 -0.22 0.00 0.00 0.00 179.25 179.01 2x1r h LYS 152 N 0.11 0.00 -0.22 0.00 3.64 -1.19 -2.68 116.57 116.23 2x1r h LYS 152 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2x1r h LYS 152 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2x1r h LYS 152 CO -0.00 0.10 0.00 1.63 -2.27 0.00 0.00 179.45 178.91 2x1r n LYS 153 N -3.55 2.07 -4.26 1.90 4.76 -0.80 -4.96 118.16 113.32 2x1r n LYS 153 Ca -0.02 -1.93 -0.23 0.00 -2.87 0.00 0.00 58.31 53.26 2x1r n LYS 153 Cb 0.24 -1.41 -0.07 0.00 -1.84 0.00 0.00 35.03 31.95 2x1r n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x1r s LEU 154 N -1.42 3.23 0.30 -0.35 1.43 -1.01 -4.77 118.68 116.08 2x1r s LEU 154 Ca 0.29 -0.66 0.08 0.00 -1.03 0.00 0.00 54.13 52.80 2x1r s LEU 154 Cb 0.18 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 2x1r s LEU 154 CO 0.26 -0.06 0.20 -0.54 0.23 0.00 0.00 176.35 176.43 2x1r s LYS 155 N -3.71 2.68 0.23 1.70 1.02 -1.26 -4.98 119.74 115.41 2x1r s LYS 155 Ca 0.33 -1.27 -0.07 0.00 0.02 0.00 0.00 55.97 54.98 2x1r s LYS 155 Cb -0.05 -2.42 0.38 0.00 -0.52 0.00 0.00 37.83 35.22 2x1r s LYS 155 CO 0.21 0.24 1.71 -0.22 -0.92 0.00 0.00 175.35 176.37 2x1r h LYS 156 N 1.46 0.33 0.00 1.68 3.64 -1.95 -0.08 116.57 121.65 2x1r h LYS 156 Ca -0.46 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 2x1r h LYS 156 Cb 1.25 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2x1r h LYS 156 CO 0.60 0.22 -0.02 0.00 -2.27 0.00 0.00 179.45 177.97 2x1r h ALA 157 N 1.52 1.58 0.00 5.00 0.00 -2.00 -2.67 119.26 122.69 2x1r h ALA 157 Ca 0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2x1r h ALA 157 Cb 0.56 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2x1r h ALA 157 CO -0.41 0.03 -0.11 -0.44 0.00 0.00 0.00 179.25 178.32 2x1r h ASP 158 N 0.00 0.00 0.65 0.00 3.32 -1.40 -3.03 116.42 115.96 2x1r h ASP 158 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2x1r h ASP 158 Cb 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2x1r h ASP 158 CO 0.00 0.11 -0.11 -0.50 -1.72 0.00 0.00 179.24 177.02 2x1r h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.58 -0.43 115.95 122.56 2x1r h TRP 159 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2x1r h TRP 159 Cb 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 2x1r h TRP 159 CO 0.00 0.11 0.00 0.00 -3.56 0.00 0.00 178.44 174.99 2x1r h ALA 160 N 1.89 1.00 -0.35 1.49 0.00 -1.75 -1.51 119.26 120.04 2x1r h ALA 160 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x1r h ALA 160 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2x1r h ALA 160 CO 0.01 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.89 2x1r n LYS 161 N -2.61 2.29 -4.43 0.00 4.76 -0.17 -5.00 118.16 113.01 2x1r n LYS 161 Ca -0.01 -2.04 -0.31 0.00 -2.87 0.00 0.00 58.31 53.08 2x1r n LYS 161 Cb 0.10 -1.38 -0.11 0.00 -1.84 0.00 0.00 35.03 31.80 2x1r n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2x1r s VAL 162 N -1.14 3.16 -0.03 -0.18 1.01 -0.57 -0.86 120.40 121.78 2x1r s VAL 162 Ca 0.30 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2x1r s VAL 162 Cb 0.17 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 34.16 2x1r s VAL 162 CO 0.23 0.24 -0.06 -0.69 0.00 0.00 0.00 175.10 174.83 2x1r s VAL 163 N -1.06 0.58 -0.16 2.92 1.01 0.42 -4.62 120.40 119.49 2x1r s VAL 163 Ca 0.18 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 2x1r s VAL 163 Cb -0.11 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 2x1r s VAL 163 CO 0.09 0.21 0.23 -0.63 0.00 0.00 0.00 175.10 175.00 2x1r s ILE 164 N 0.58 5.35 -0.27 2.22 -1.09 -0.65 -0.57 121.20 126.77 2x1r s ILE 164 Ca -0.08 0.40 -0.04 0.00 -2.23 0.00 0.00 60.65 58.71 2x1r s ILE 164 Cb -0.11 -3.55 0.02 0.00 -1.58 0.00 0.00 42.46 37.23 2x1r s ILE 164 CO 0.00 0.45 -0.01 0.00 -1.23 0.00 0.00 174.94 174.15 2x1r s ALA 165 N 0.15 2.84 -0.26 9.38 0.00 0.38 -0.64 121.76 133.61 2x1r s ALA 165 Ca 0.14 -1.46 -0.20 0.00 0.00 0.00 0.00 51.96 50.44 2x1r s ALA 165 Cb -0.12 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.11 2x1r s ALA 165 CO 0.02 -0.86 0.62 -0.47 0.00 0.00 0.00 175.76 175.08 2x1r s TYR 166 N 1.39 3.27 -0.21 0.00 5.04 0.10 -1.34 117.35 125.60 2x1r s TYR 166 Ca 0.01 0.76 -0.03 0.00 -2.44 0.00 0.00 57.07 55.36 2x1r s TYR 166 Cb -0.17 -2.85 0.07 0.00 0.35 0.00 0.00 41.96 39.35 2x1r s TYR 166 CO -0.02 -0.35 0.07 -1.21 -1.34 0.00 0.00 175.55 172.70 2x1r s GLU 167 N 2.50 0.44 0.17 4.97 2.02 -0.44 -1.45 118.70 126.91 2x1r s GLU 167 Ca 0.25 -0.40 -0.32 0.00 0.02 0.00 0.00 54.97 54.53 2x1r s GLU 167 Cb -0.15 -1.92 -0.10 0.00 0.10 0.00 0.00 34.13 32.05 2x1r s GLU 167 CO 0.09 -0.72 1.61 -2.14 0.02 0.00 0.00 175.26 174.12 2x1r s PRO 168 N 1.94 4.19 0.38 0.39 0.02 -1.25 -4.17 135.00 136.50 2x1r s PRO 168 Ca 0.02 2.42 0.07 0.00 0.02 0.00 0.00 61.00 63.53 2x1r s PRO 168 Cb -0.17 -3.18 0.80 0.00 0.02 0.00 0.00 34.50 31.97 2x1r s PRO 168 CO -0.13 -0.65 2.00 0.28 -0.33 0.00 0.00 177.00 178.16 2x1r h VAL 169 N 4.05 1.04 0.00 3.83 2.07 -1.17 -0.84 116.25 125.23 2x1r h VAL 169 Ca -0.43 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2x1r h VAL 169 Cb 1.20 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2x1r h VAL 169 CO 0.93 0.12 0.00 -2.67 0.02 0.00 0.00 177.57 175.97 2x1r n TRP 170 N -4.47 0.07 0.85 1.57 4.27 -1.26 -2.32 117.44 116.15 2x1r n TRP 170 Ca 0.08 0.03 0.10 0.00 -3.89 0.00 0.00 57.50 53.82 2x1r n TRP 170 Cb 0.18 -0.55 0.03 0.00 -1.36 0.00 0.00 31.31 29.62 2x1r n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2x1r n ALA 171 N -1.52 2.99 -2.57 -1.67 0.00 -0.32 -4.65 120.51 112.77 2x1r n ALA 171 Ca 0.03 -0.62 -0.43 0.00 0.00 0.00 0.00 53.44 52.42 2x1r n ALA 171 Cb 0.13 -0.68 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 2x1r n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2x1r s ILE 172 N -1.98 4.63 0.00 0.00 1.01 -0.98 -1.32 121.20 122.56 2x1r s ILE 172 Ca 0.19 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.19 2x1r s ILE 172 Cb 0.16 -4.35 0.00 0.00 0.01 0.00 0.00 42.46 38.29 2x1r s ILE 172 CO 0.39 -0.77 0.00 0.61 0.00 0.00 0.00 174.94 175.17 2x1r n GLY 173 N 5.02 0.52 0.02 6.18 0.00 -1.26 -4.87 105.19 110.79 2x1r n GLY 173 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 2x1r n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x1r n THR 174 N -2.50 0.06 -0.56 2.61 -2.24 -1.26 -4.96 114.28 105.44 2x1r n THR 174 Ca 0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2x1r n THR 174 Cb 0.08 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 2x1r n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x1r n GLY 175 N 1.28 1.50 3.42 3.38 0.00 -1.26 -4.98 105.19 108.53 2x1r n GLY 175 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 2x1r n GLY 175 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x1r s LYS 176 N -0.14 4.06 0.44 1.61 2.20 -1.26 -4.99 119.74 121.65 2x1r s LYS 176 Ca 0.00 -2.70 -0.23 0.00 -0.36 0.00 0.00 55.97 52.69 2x1r s LYS 176 Cb 0.00 -4.87 -0.08 0.00 -1.51 0.00 0.00 37.83 31.37 2x1r s LYS 176 CO 0.00 -1.59 1.09 0.54 -0.36 0.00 0.00 175.35 175.03 2x1r s VAL 177 N 0.76 3.48 0.51 4.02 0.11 -1.26 -4.20 120.40 123.82 2x1r s VAL 177 Ca 0.37 1.08 -0.23 0.00 -2.93 0.00 0.00 61.98 60.27 2x1r s VAL 177 Cb -0.05 -3.53 -0.06 0.00 -1.53 0.00 0.00 36.38 31.21 2x1r s VAL 177 CO -0.04 -0.05 1.33 0.00 -3.33 0.00 0.00 175.10 173.02 2x1r s ALA 178 N -1.67 2.92 0.91 1.54 0.00 -1.26 -5.00 121.76 119.20 2x1r s ALA 178 Ca 0.62 1.28 -0.12 0.00 0.00 0.00 0.00 51.96 53.75 2x1r s ALA 178 Cb -0.24 -3.54 0.14 0.00 0.00 0.00 0.00 23.12 19.48 2x1r s ALA 178 CO 0.29 -1.21 1.09 0.95 0.00 0.00 0.00 175.76 176.88 2x1r s THR 179 N -1.32 2.56 0.27 0.00 -4.23 -1.26 -4.78 115.64 106.88 2x1r s THR 179 Ca 0.68 0.18 -0.04 0.00 -1.18 0.00 0.00 61.69 61.34 2x1r s THR 179 Cb -0.39 -2.69 0.24 0.00 1.34 0.00 0.00 72.50 71.01 2x1r s THR 179 CO 0.47 -0.24 1.92 -0.65 -0.54 0.00 0.00 174.62 175.58 2x1r h PRO 180 N -1.59 1.15 -0.37 3.99 0.11 -1.94 -0.68 132.00 132.67 2x1r h PRO 180 Ca -0.50 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 65.51 2x1r h PRO 180 Cb 1.29 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2x1r h PRO 180 CO 0.55 0.80 0.22 0.37 -0.21 0.00 0.00 178.00 179.73 2x1r h GLN 181 N 1.17 0.51 -0.35 1.05 4.15 -1.98 -0.37 115.11 119.29 2x1r h GLN 181 Ca 0.31 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.65 2x1r h GLN 181 Cb -0.06 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 2x1r h GLN 181 CO -0.06 0.40 0.11 1.96 -1.93 0.00 0.00 178.83 179.31 2x1r h GLN 182 N 0.48 0.54 -0.40 1.69 4.20 -1.80 -1.66 115.11 118.16 2x1r h GLN 182 Ca 0.13 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2x1r h GLN 182 Cb 0.03 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2x1r h GLN 182 CO -0.02 0.57 0.18 0.00 -0.67 0.00 0.00 178.83 178.88 2x1r h ALA 183 N 0.95 0.51 -0.55 3.87 0.00 -1.06 -2.59 119.26 120.39 2x1r h ALA 183 Ca 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2x1r h ALA 183 Cb 0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2x1r h ALA 183 CO -0.00 0.10 0.30 0.37 0.00 0.00 0.00 179.25 180.02 2x1r h GLN 184 N 0.50 0.77 -0.50 0.00 5.75 -0.97 -0.80 115.11 119.86 2x1r h GLN 184 Ca 0.13 -0.09 0.06 0.00 -0.15 0.00 0.00 58.65 58.61 2x1r h GLN 184 Cb 0.15 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.50 2x1r h GLN 184 CO -0.01 0.59 0.20 1.49 -2.65 0.00 0.00 178.83 178.45 2x1r h GLU 185 N 0.74 0.38 -0.14 1.69 4.81 -1.25 0.14 114.58 120.95 2x1r h GLU 185 Ca 0.19 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2x1r h GLU 185 Cb 0.04 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 2x1r h GLU 185 CO -0.03 0.25 -0.07 0.00 -0.73 0.00 0.00 179.01 178.43 2x1r h ALA 186 N 1.31 0.20 -0.90 2.92 0.00 -1.10 -1.42 119.26 120.28 2x1r h ALA 186 Ca 0.23 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2x1r h ALA 186 Cb 0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2x1r h ALA 186 CO -0.22 0.00 0.59 0.45 0.00 0.00 0.00 179.25 180.08 2x1r h HIS 187 N -0.04 1.13 -0.49 0.00 3.86 -1.00 -1.17 115.15 117.44 2x1r h HIS 187 Ca 0.03 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.17 2x1r h HIS 187 Cb 0.55 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 2x1r h HIS 187 CO 0.07 0.71 -0.09 0.00 0.86 0.00 0.00 177.93 179.48 2x1r h ALA 188 N 1.33 0.67 -0.35 2.45 0.00 -0.61 -1.66 119.26 121.08 2x1r h ALA 188 Ca 0.33 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2x1r h ALA 188 Cb -0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 2x1r h ALA 188 CO -0.07 0.55 0.11 1.25 0.00 0.00 0.00 179.25 181.09 2x1r h LEU 189 N 0.77 0.10 0.19 0.00 6.46 -0.96 -1.14 115.31 120.73 2x1r h LEU 189 Ca 0.13 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 2x1r h LEU 189 Cb 0.63 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 2x1r h LEU 189 CO 0.04 0.10 -0.09 0.40 -0.62 0.00 0.00 178.44 178.27 2x1r h ILE 190 N 0.25 0.84 -0.76 4.05 2.04 -0.86 -2.47 117.51 120.61 2x1r h ILE 190 Ca 0.16 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 2x1r h ILE 190 Cb 0.15 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2x1r h ILE 190 CO -0.18 0.03 0.35 -0.09 0.00 0.00 0.00 178.15 178.26 2x1r h ARG 191 N -0.31 1.10 -0.97 2.37 2.43 -1.25 -1.47 114.38 116.28 2x1r h ARG 191 Ca -0.03 -0.17 0.05 0.00 -0.81 0.00 0.00 59.98 59.02 2x1r h ARG 191 Cb 0.24 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 2x1r h ARG 191 CO 0.04 0.86 0.63 1.03 -1.51 0.00 0.00 179.97 181.02 2x1r h SER 192 N 1.07 1.03 -0.34 -3.80 0.87 -1.16 0.16 113.55 111.38 2x1r h SER 192 Ca 0.26 -0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.67 2x1r h SER 192 Cb 0.14 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2x1r h SER 192 CO -0.03 0.69 -0.33 -0.25 -0.53 0.00 0.00 176.83 176.37 2x1r h TRP 193 N 1.19 1.02 -0.53 2.24 7.01 -0.95 -2.55 115.95 123.39 2x1r h TRP 193 Ca 0.40 -0.28 -0.08 0.00 2.11 0.00 0.00 58.89 61.04 2x1r h TRP 193 Cb 0.07 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 2x1r h TRP 193 CO -0.01 1.08 0.04 0.28 -2.79 0.00 0.00 178.44 177.04 2x1r h VAL 194 N 0.73 1.26 -0.22 2.65 2.07 -0.74 -2.00 116.25 120.00 2x1r h VAL 194 Ca 0.07 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.60 2x1r h VAL 194 Cb 0.90 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 2x1r h VAL 194 CO 0.08 0.37 -0.04 -1.28 0.02 0.00 0.00 177.57 176.72 2x1r h SER 195 N 0.78 -0.18 -0.29 0.57 0.87 -0.58 0.21 113.55 114.93 2x1r h SER 195 Ca 0.15 0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.64 2x1r h SER 195 Cb 0.48 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2x1r h SER 195 CO 0.02 -0.06 -0.35 0.28 -0.53 0.00 0.00 176.83 176.19 2x1r h SER 196 N 0.02 0.82 0.53 6.23 0.02 -1.38 -1.49 113.55 118.30 2x1r h SER 196 Ca 0.11 -0.49 -0.29 0.00 -0.84 0.00 0.00 61.79 60.28 2x1r h SER 196 Cb 0.16 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 2x1r h SER 196 CO -0.22 1.14 -1.62 0.11 -1.14 0.00 0.00 176.83 175.11 2x1r h LYS 197 N 0.51 0.04 0.00 3.45 1.79 -1.30 -3.41 116.57 117.65 2x1r h LYS 197 Ca 0.04 -0.07 -0.32 0.00 -2.18 0.00 0.00 60.65 58.11 2x1r h LYS 197 Cb 0.94 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.56 2x1r h LYS 197 CO 0.08 0.67 -2.14 -0.89 -1.08 0.00 0.00 179.45 176.10 2x1r n ILE 198 N -3.16 1.13 0.00 1.86 2.08 0.68 -5.08 119.36 116.87 2x1r n ILE 198 Ca -0.16 -0.35 0.00 0.00 0.56 0.00 0.00 62.75 62.80 2x1r n ILE 198 Cb 1.04 -1.52 0.00 0.00 -0.75 0.00 0.00 39.64 38.40 2x1r n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2x1r n GLY 199 N 2.08 4.61 0.33 7.39 0.00 -0.57 -4.90 105.19 114.13 2x1r n GLY 199 Ca -0.38 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 44.78 2x1r n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x1r h ALA 200 N 0.00 1.52 0.23 4.61 0.00 -1.83 -1.77 119.26 122.03 2x1r h ALA 200 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2x1r h ALA 200 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2x1r h ALA 200 CO 0.00 0.43 -0.11 0.38 0.00 0.00 0.00 179.25 179.95 2x1r h ASP 201 N 0.84 -0.26 -0.40 0.00 3.04 -1.93 -1.93 116.42 115.78 2x1r h ASP 201 Ca 0.22 -0.03 0.05 0.00 -3.24 0.00 0.00 57.03 54.04 2x1r h ASP 201 Cb -0.05 0.07 -0.04 0.00 -1.04 0.00 0.00 39.33 38.26 2x1r h ASP 201 CO -0.04 -0.15 0.14 0.58 -2.04 0.00 0.00 179.24 177.72 2x1r h VAL 202 N -0.36 0.88 -0.78 4.15 2.07 -1.86 -2.74 116.25 117.61 2x1r h VAL 202 Ca -0.03 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.45 2x1r h VAL 202 Cb 0.27 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 2x1r h VAL 202 CO 0.05 0.05 0.46 0.00 0.02 0.00 0.00 177.57 178.16 2x1r h ALA 203 N 1.26 1.06 -0.09 1.67 0.00 -1.23 -1.35 119.26 120.59 2x1r h ALA 203 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2x1r h ALA 203 Cb 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2x1r h ALA 203 CO -0.19 0.18 -0.32 0.78 0.00 0.00 0.00 179.25 179.69 2x1r h GLY 204 N 0.85 0.18 0.77 0.00 0.00 -1.06 -3.02 103.07 100.78 2x1r h GLY 204 Ca 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2x1r h GLY 204 CO -0.18 0.13 -0.77 1.18 0.00 0.00 0.00 176.54 176.90 2x1r n GLU 205 N -4.11 0.15 -2.24 4.80 1.02 -0.90 -4.59 120.64 114.78 2x1r n GLU 205 Ca -0.01 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 2x1r n GLU 205 Cb 0.40 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 2x1r n GLU 205 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2x1r s LEU 206 N -3.54 4.33 -0.15 -4.62 2.96 -0.56 -4.82 118.68 112.28 2x1r s LEU 206 Ca 0.07 2.14 -0.28 0.00 -0.22 0.00 0.00 54.13 55.85 2x1r s LEU 206 Cb 0.15 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.27 2x1r s LEU 206 CO 0.76 -0.67 0.95 -0.13 -1.32 0.00 0.00 176.35 175.94 2x1r s ARG 207 N 1.91 4.35 -0.26 1.98 3.00 -1.26 -4.94 118.95 123.73 2x1r s ARG 207 Ca 0.63 1.25 -0.00 0.00 0.00 0.00 0.00 55.73 57.61 2x1r s ARG 207 Cb -0.32 -3.57 0.04 0.00 0.00 0.00 0.00 34.95 31.10 2x1r s ARG 207 CO 0.28 -0.38 -0.07 0.42 0.00 0.00 0.00 175.30 175.55 2x1r s ILE 208 N 2.28 2.63 0.01 1.52 1.01 -1.26 -1.64 121.20 125.75 2x1r s ILE 208 Ca 0.44 -1.32 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 2x1r s ILE 208 Cb -0.17 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 2x1r s ILE 208 CO 0.14 0.06 0.24 -0.76 0.00 0.00 0.00 174.94 174.62 2x1r s LEU 209 N 1.23 4.37 -0.01 2.97 1.43 0.19 -1.04 118.68 127.82 2x1r s LEU 209 Ca -0.04 0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 53.47 2x1r s LEU 209 Cb -0.18 -2.67 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 2x1r s LEU 209 CO -0.04 0.25 0.28 -0.47 0.23 0.00 0.00 176.35 176.60 2x1r s TYR 210 N -1.32 3.61 0.01 0.29 5.04 0.16 -0.72 117.35 124.42 2x1r s TYR 210 Ca 0.28 0.66 -0.07 0.00 -2.44 0.00 0.00 57.07 55.49 2x1r s TYR 210 Cb -0.13 -2.05 -0.00 0.00 0.35 0.00 0.00 41.96 40.13 2x1r s TYR 210 CO 0.17 0.63 0.13 0.20 -1.34 0.00 0.00 175.55 175.34 2x1r s GLY 211 N -1.49 0.06 0.00 8.97 0.00 -0.53 -1.37 107.32 112.97 2x1r s GLY 211 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.80 2x1r s GLY 211 CO 0.14 -0.31 0.00 0.61 0.00 0.00 0.00 173.10 173.53 2x1r n GLY 212 N 1.40 1.76 2.40 0.20 0.00 -1.26 -3.90 105.19 105.79 2x1r n GLY 212 Ca -0.23 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.20 2x1r n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x1r n SER 213 N 0.00 -5.17 -4.77 1.61 7.64 -0.43 -4.33 113.62 108.17 2x1r n SER 213 Ca 0.00 -0.05 -0.40 0.00 1.01 0.00 0.00 58.87 59.44 2x1r n SER 213 Cb 0.00 -4.22 -0.02 0.00 -1.01 0.00 0.00 64.21 58.96 2x1r n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2x1r s VAL 214 N -2.90 2.96 0.26 0.44 1.01 -1.26 -4.60 120.40 116.31 2x1r s VAL 214 Ca 0.03 0.90 -0.02 0.00 0.00 0.00 0.00 61.98 62.89 2x1r s VAL 214 Cb -0.02 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2x1r s VAL 214 CO 0.04 0.16 0.30 0.54 0.00 0.00 0.00 175.10 176.14 2x1r s ASN 215 N -0.79 0.52 0.55 3.32 2.20 -1.26 -4.93 114.94 114.55 2x1r s ASN 215 Ca 0.52 -1.38 0.25 0.00 -0.94 0.00 0.00 52.86 51.31 2x1r s ASN 215 Cb -0.35 0.51 1.44 0.00 -2.00 0.00 0.00 41.25 40.84 2x1r s ASN 215 CO 0.46 -1.03 2.03 1.23 -2.94 0.00 0.00 177.10 176.85 2x1r h GLY 216 N 2.36 0.00 0.40 0.45 0.00 -1.88 -0.33 103.07 104.07 2x1r h GLY 216 Ca -0.30 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 2x1r h GLY 216 CO 0.44 0.00 -0.07 0.50 0.00 0.00 0.00 176.54 177.40 2x1r h LYS 217 N 0.00 -0.19 0.00 4.80 1.57 -1.96 -3.39 116.57 117.41 2x1r h LYS 217 Ca 0.18 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2x1r h LYS 217 Cb 0.76 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2x1r h LYS 217 CO -0.00 0.25 -0.67 0.27 -0.57 0.00 0.00 179.45 178.74 2x1r n ASN 218 N -4.92 0.69 -0.22 0.86 0.23 -0.97 -4.36 115.26 106.56 2x1r n ASN 218 Ca -0.08 0.09 -0.07 0.00 -0.53 0.00 0.00 54.58 53.99 2x1r n ASN 218 Cb 0.27 0.22 0.03 0.00 -2.08 0.00 0.00 39.78 38.22 2x1r n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2x1r h ALA 219 N 2.51 0.79 -0.19 -2.53 0.00 -1.26 -2.46 119.26 116.13 2x1r h ALA 219 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2x1r h ALA 219 Cb 0.74 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2x1r h ALA 219 CO 0.00 0.37 0.13 -0.09 0.00 0.00 0.00 179.25 179.66 2x1r h ARG 220 N 0.84 0.25 -0.45 0.00 9.65 -1.81 0.46 114.38 123.31 2x1r h ARG 220 Ca 0.21 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 59.00 2x1r h ARG 220 Cb 0.16 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.66 2x1r h ARG 220 CO -0.02 0.17 -0.03 1.15 2.80 0.00 0.00 179.97 184.04 2x1r h THR 221 N 0.26 1.24 -0.41 0.20 2.02 -1.81 -2.23 112.91 112.17 2x1r h THR 221 Ca 0.07 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 2x1r h THR 221 Cb -0.03 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2x1r h THR 221 CO -0.01 0.36 0.21 -0.07 0.37 0.00 0.00 175.52 176.38 2x1r h LEU 222 N 0.71 0.52 -1.98 2.58 3.38 -1.07 -2.97 115.31 116.48 2x1r h LEU 222 Ca 0.14 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2x1r h LEU 222 Cb 0.47 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2x1r h LEU 222 CO 0.02 0.47 -0.10 0.22 0.09 0.00 0.00 178.44 179.15 2x1r h TYR 223 N 0.53 0.00 0.00 1.13 3.20 -0.32 -1.78 116.97 119.72 2x1r h TYR 223 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2x1r h TYR 223 Cb 0.08 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.35 2x1r h TYR 223 CO -0.02 0.10 0.00 1.96 -1.64 0.00 0.00 178.16 178.56 2x1r h GLN 224 N 0.00 0.00 -6.90 1.82 1.08 -1.29 -3.44 115.11 106.37 2x1r h GLN 224 Ca -0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 2x1r h GLN 224 Cb 0.21 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 27.71 2x1r h GLN 224 CO 0.01 0.00 0.65 -0.65 -0.95 0.00 0.00 178.83 177.89 2x1r s GLN 225 N -3.61 4.26 0.30 1.46 -1.52 -0.67 -4.91 119.66 114.97 2x1r s GLN 225 Ca 0.00 2.25 0.07 0.00 -1.95 0.00 0.00 55.36 55.73 2x1r s GLN 225 Cb 0.09 -3.00 0.81 0.00 -0.22 0.00 0.00 33.01 30.69 2x1r s GLN 225 CO 0.38 -0.28 1.71 -0.09 -0.25 0.00 0.00 175.29 176.75 2x1r h ARG 226 N 3.21 0.46 -0.46 2.91 2.43 -1.90 -2.73 114.38 118.30 2x1r h ARG 226 Ca -0.49 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2x1r h ARG 226 Cb 1.23 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2x1r h ARG 226 CO 0.65 0.30 0.00 -0.25 -1.51 0.00 0.00 179.97 179.16 2x1r n ASP 227 N -4.98 3.87 -4.64 -3.80 8.00 -1.26 -4.92 116.55 108.82 2x1r n ASP 227 Ca 0.25 -2.39 -0.38 0.00 0.71 0.00 0.00 54.79 52.98 2x1r n ASP 227 Cb 0.71 -0.44 -0.09 0.00 -0.02 0.00 0.00 41.12 41.27 2x1r n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2x1r s VAL 228 N -1.72 5.26 -0.30 2.53 1.01 -1.03 -4.63 120.40 121.52 2x1r s VAL 228 Ca 0.39 0.42 0.13 0.00 0.00 0.00 0.00 61.98 62.92 2x1r s VAL 228 Cb 0.25 -3.61 0.32 0.00 0.00 0.00 0.00 36.38 33.34 2x1r s VAL 228 CO 0.18 0.26 1.24 0.59 0.00 0.00 0.00 175.10 177.37 2x1r n ASN 229 N 4.70 2.92 0.00 3.32 4.13 -0.20 -4.85 115.26 125.27 2x1r n ASN 229 Ca -0.11 -2.61 0.00 0.00 1.68 0.00 0.00 54.58 53.53 2x1r n ASN 229 Cb 0.51 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 2x1r n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x1r n GLY 230 N -0.51 0.97 3.07 7.41 0.00 -1.26 -2.01 105.19 112.86 2x1r n GLY 230 Ca 0.14 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 2x1r n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1r s PHE 231 N -2.84 0.12 -0.15 1.61 0.08 -0.61 -0.66 117.98 115.53 2x1r s PHE 231 Ca 0.00 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.76 2x1r s PHE 231 Cb 0.00 -0.10 -0.01 0.00 -0.57 0.00 0.00 43.02 42.34 2x1r s PHE 231 CO 0.00 -0.27 -0.14 -1.17 -0.10 0.00 0.00 175.22 173.54 2x1r s LEU 232 N -1.48 2.57 0.23 -0.37 2.96 -0.47 -0.71 118.68 121.41 2x1r s LEU 232 Ca -0.14 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 2x1r s LEU 232 Cb -0.08 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 2x1r s LEU 232 CO 0.00 0.11 0.26 0.00 -1.32 0.00 0.00 176.35 175.40 2x1r s ALA 233 N 0.67 0.78 0.72 5.97 0.00 0.06 -3.99 121.76 125.96 2x1r s ALA 233 Ca -0.07 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.30 2x1r s ALA 233 Cb -0.16 1.29 0.03 0.00 0.00 0.00 0.00 23.12 24.28 2x1r s ALA 233 CO 0.02 -0.68 1.08 0.20 0.00 0.00 0.00 175.76 176.38 2x1r s GLY 234 N -3.13 1.72 -0.82 0.00 0.00 -1.26 -0.55 107.32 103.27 2x1r s GLY 234 Ca 0.34 0.21 -0.21 0.00 0.00 0.00 0.00 44.72 45.05 2x1r s GLY 234 CO 0.12 0.54 1.12 -2.27 0.00 0.00 0.00 173.10 172.61 2x1r s LEU 238 N -5.63 4.44 0.29 0.66 2.96 -1.22 -4.58 118.68 115.60 2x1r s LEU 238 Ca 0.60 -1.44 -0.12 0.00 -0.22 0.00 0.00 54.13 52.96 2x1r s LEU 238 Cb -0.16 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.10 2x1r s LEU 238 CO 0.54 -1.33 0.55 -1.59 -1.32 0.00 0.00 176.35 173.20 2x1r s LYS 239 N 3.76 1.76 0.39 1.98 -2.85 -1.26 -4.97 119.74 118.55 2x1r s LYS 239 Ca 0.31 -1.37 0.08 0.00 -1.00 0.00 0.00 55.97 53.99 2x1r s LYS 239 Cb -0.09 0.50 0.79 0.00 -2.06 0.00 0.00 37.83 36.97 2x1r s LYS 239 CO -0.00 -0.76 1.96 -1.35 0.10 0.00 0.00 175.35 175.30 2x1r h PRO 240 N 2.16 0.38 0.00 1.78 0.11 -1.97 -1.69 132.00 132.76 2x1r h PRO 240 Ca -0.27 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2x1r h PRO 240 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2x1r h PRO 240 CO 0.36 0.39 0.00 -0.85 -0.21 0.00 0.00 178.00 177.69 2x1r n GLU 241 N -4.35 0.13 -0.14 1.05 0.28 -1.26 -2.63 120.64 113.71 2x1r n GLU 241 Ca 0.01 0.17 0.23 0.00 -0.16 0.00 0.00 57.16 57.40 2x1r n GLU 241 Cb 0.19 -1.50 0.64 0.00 1.43 0.00 0.00 31.44 32.20 2x1r n GLU 241 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2x1r h PHE 242 N 0.00 0.18 -0.98 -1.84 3.57 -1.59 -0.22 116.94 116.06 2x1r h PHE 242 Ca 0.00 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2x1r h PHE 242 Cb 0.22 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 2x1r h PHE 242 CO 0.00 0.05 0.64 0.28 -2.23 0.00 0.00 178.31 177.05 2x1r h VAL 243 N 0.14 1.13 -0.05 1.41 2.07 -1.73 -0.71 116.25 118.51 2x1r h VAL 243 Ca 0.38 -0.41 -0.17 0.00 0.82 0.00 0.00 66.70 67.33 2x1r h VAL 243 Cb 1.30 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2x1r h VAL 243 CO -0.06 0.22 -0.71 0.44 0.02 0.00 0.00 177.57 177.48 2x1r h ASP 244 N 1.20 0.29 -0.42 0.57 3.32 -1.28 -2.60 116.42 117.50 2x1r h ASP 244 Ca 0.41 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 2x1r h ASP 244 Cb 0.08 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2x1r h ASP 244 CO -0.15 0.90 0.16 0.40 -1.72 0.00 0.00 179.24 178.83 2x1r h ILE 245 N 0.17 1.20 -0.36 0.35 2.04 -0.92 -1.89 117.51 118.10 2x1r h ILE 245 Ca -0.02 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.26 2x1r h ILE 245 Cb 1.26 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 2x1r h ILE 245 CO 0.11 0.23 0.05 0.40 0.00 0.00 0.00 178.15 178.94 2x1r h ILE 246 N 0.53 0.79 -0.04 -0.67 2.04 -1.06 -1.19 117.51 117.92 2x1r h ILE 246 Ca 0.14 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.95 2x1r h ILE 246 Cb 0.21 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2x1r h ILE 246 CO -0.01 0.03 0.04 0.50 0.00 0.00 0.00 178.15 178.71 2x1r h LYS 247 N 0.16 0.00 0.00 2.37 3.64 -1.17 -2.10 116.57 119.48 2x1r h LYS 247 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2x1r h LYS 247 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2x1r h LYS 247 CO -0.24 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 176.94 2x1r n ALA 248 N -2.33 2.01 -1.04 5.00 0.00 -0.45 -4.34 120.51 119.36 2x1r n ALA 248 Ca -0.02 0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2x1r n ALA 248 Cb 0.13 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.04 2x1r n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2x1r n THR 249 N -2.24 3.26 -1.50 0.00 -2.24 -0.79 -4.58 114.28 106.18 2x1r n THR 249 Ca 0.04 -1.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.05 2x1r n THR 249 Cb 0.34 -2.18 0.00 0.00 -2.10 0.00 0.00 70.33 66.39 2x1r n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50