#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ipe s GLY 3 N 0.00 1.63 0.33 0.00 0.00 -1.26 -4.93 107.32 103.09 1ipe s GLY 3 Ca 0.00 -1.12 0.05 0.00 0.00 0.00 0.00 44.72 43.65 1ipe s GLY 3 CO 0.00 -0.19 1.84 -0.09 0.00 0.00 0.00 173.10 174.65 1ipe h ARG 4 N -2.59 0.44 -0.30 2.90 2.43 -2.00 -3.20 114.38 112.06 1ipe h ARG 4 Ca -0.43 -0.12 -0.16 0.00 -0.81 0.00 0.00 59.98 58.46 1ipe h ARG 4 Cb 1.27 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 30.67 1ipe h ARG 4 CO 0.29 0.55 -0.18 0.91 -1.51 0.00 0.00 179.97 180.03 1ipe n TRP 5 N -4.23 0.95 -4.03 2.20 7.02 -1.26 -2.52 117.44 115.58 1ipe n TRP 5 Ca 0.00 -1.63 -0.10 0.00 -1.02 0.00 0.00 57.50 54.75 1ipe n TRP 5 Cb 0.30 -0.46 -0.06 0.00 -2.42 0.00 0.00 31.31 28.67 1ipe n TRP 5 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1ipe s ASN 6 N -2.71 -0.04 -0.20 -0.99 2.20 -1.21 -5.05 114.94 106.94 1ipe s ASN 6 Ca 0.44 -1.00 0.15 0.00 -0.94 0.00 0.00 52.86 51.50 1ipe s ASN 6 Cb 0.40 0.54 0.45 0.00 -2.00 0.00 0.00 41.25 40.64 1ipe s ASN 6 CO -0.02 -1.07 1.34 0.18 -2.94 0.00 0.00 177.10 174.60 1ipe n LEU 7 N -0.35 3.44 -4.66 3.54 4.77 -0.68 -4.08 117.00 118.98 1ipe n LEU 7 Ca -0.01 -3.34 -0.58 0.00 -0.03 0.00 0.00 56.01 52.04 1ipe n LEU 7 Cb 0.63 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 1ipe n LEU 7 CO 0.24 0.92 1.39 1.21 -1.33 0.00 0.00 177.39 179.83 1ipe n GLU 8 N -0.99 0.92 0.00 3.23 4.07 -1.17 -1.06 120.64 125.65 1ipe n GLU 8 Ca 0.23 0.33 0.00 0.00 -0.06 0.00 0.00 57.16 57.66 1ipe n GLU 8 Cb 0.85 -2.03 0.00 0.00 -0.06 0.00 0.00 31.44 30.20 1ipe n GLU 8 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ipe n GLY 9 N 4.68 2.83 3.79 8.31 0.00 -0.97 -2.24 105.19 121.60 1ipe n GLY 9 Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 1ipe n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ipe s THR 11 N -1.80 4.85 -0.02 0.00 -4.23 -1.26 -0.56 115.64 112.62 1ipe s THR 11 Ca 0.57 -0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 60.50 1ipe s THR 11 Cb -0.17 -3.27 0.02 0.00 1.34 0.00 0.00 72.50 70.41 1ipe s THR 11 CO 0.22 0.27 0.26 0.00 -0.54 0.00 0.00 174.62 174.83 1ipe s ALA 12 N -1.30 -0.65 -0.11 3.99 0.00 0.15 -1.42 121.76 122.42 1ipe s ALA 12 Ca 0.26 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1ipe s ALA 12 Cb -0.12 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1ipe s ALA 12 CO 0.18 -0.23 -0.19 -1.17 0.00 0.00 0.00 175.76 174.35 1ipe s LEU 13 N -1.13 2.36 -0.26 0.00 2.96 -0.22 -0.53 118.68 121.86 1ipe s LEU 13 Ca -0.12 -0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 53.33 1ipe s LEU 13 Cb -0.05 -1.49 0.07 0.00 0.50 0.00 0.00 46.19 45.22 1ipe s LEU 13 CO 0.03 0.17 0.02 -0.69 -1.32 0.00 0.00 176.35 174.55 1ipe s VAL 14 N 0.31 1.20 0.13 1.68 1.01 0.11 -1.57 120.40 123.27 1ipe s VAL 14 Ca -0.15 -1.22 -0.31 0.00 0.00 0.00 0.00 61.98 60.30 1ipe s VAL 14 Cb -0.17 -1.67 -0.08 0.00 0.00 0.00 0.00 36.38 34.46 1ipe s VAL 14 CO 0.07 -0.33 1.39 0.42 0.00 0.00 0.00 175.10 176.66 1ipe s THR 15 N 1.51 3.24 -0.47 3.92 -4.23 -0.96 -3.59 115.64 115.06 1ipe s THR 15 Ca 0.01 0.91 -0.02 0.00 -1.18 0.00 0.00 61.69 61.41 1ipe s THR 15 Cb -0.18 -3.58 -0.02 0.00 1.34 0.00 0.00 72.50 70.05 1ipe s THR 15 CO -0.12 0.08 0.42 0.61 -0.54 0.00 0.00 174.62 175.08 1ipe n GLY 16 N 3.32 -0.35 1.11 3.99 0.00 -0.03 -2.23 105.19 111.00 1ipe n GLY 16 Ca 0.11 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.36 1ipe n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ipe n GLY 17 N -1.37 2.88 0.17 -0.02 0.00 -1.07 -4.12 105.19 101.67 1ipe n GLY 17 Ca -0.02 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.38 1ipe n GLY 17 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ipe h SER 18 N 3.10 0.00 -5.21 1.61 4.64 -1.88 -3.10 113.55 112.70 1ipe h SER 18 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1ipe h SER 18 Cb 1.10 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.06 1ipe h SER 18 CO 0.10 0.17 -0.35 -0.13 -0.87 0.00 0.00 176.83 175.75 1ipe s ARG 19 N -3.15 1.00 5.54 4.77 0.52 -1.26 -4.79 118.95 121.57 1ipe s ARG 19 Ca 0.04 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 1ipe s ARG 19 Cb 0.07 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.90 1ipe s ARG 19 CO 0.72 -0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.11 1ipe n GLY 20 N -0.14 3.03 0.27 -3.53 0.00 -1.26 -2.66 105.19 100.90 1ipe n GLY 20 Ca -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 1ipe n GLY 20 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ipe h ILE 21 N 0.00 0.98 -0.04 -0.61 2.04 -1.92 -2.20 117.51 115.76 1ipe h ILE 21 Ca 0.00 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1ipe h ILE 21 Cb 0.00 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1ipe h ILE 21 CO 0.00 0.13 -0.01 1.23 0.00 0.00 0.00 178.15 179.50 1ipe h GLY 22 N 0.72 0.02 0.47 5.37 0.00 -1.68 0.60 103.07 108.57 1ipe h GLY 22 Ca 0.31 0.02 0.12 0.00 0.00 0.00 0.00 47.33 47.77 1ipe h GLY 22 CO -0.18 -0.02 0.59 -1.82 0.00 0.00 0.00 176.54 175.11 1ipe h TYR 23 N -0.01 1.07 -0.22 5.60 5.03 -1.26 -0.17 116.97 127.02 1ipe h TYR 23 Ca 0.02 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.26 1ipe h TYR 23 Cb 0.04 -0.34 -0.01 0.00 1.55 0.00 0.00 36.73 37.97 1ipe h TYR 23 CO -0.11 0.42 -0.30 0.78 -1.32 0.00 0.00 178.16 177.63 1ipe h GLY 24 N 0.94 0.48 1.51 1.82 0.00 -0.75 -2.79 103.07 104.28 1ipe h GLY 24 Ca 0.48 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 47.25 1ipe h GLY 24 CO -0.27 0.37 -0.50 -2.22 0.00 0.00 0.00 176.54 173.93 1ipe h ILE 25 N 0.38 1.32 -0.86 2.60 2.04 0.83 -2.12 117.51 121.69 1ipe h ILE 25 Ca 0.05 -1.72 -0.02 0.00 1.00 0.00 0.00 64.86 64.16 1ipe h ILE 25 Cb 0.73 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 1ipe h ILE 25 CO 0.06 0.54 0.45 0.58 0.00 0.00 0.00 178.15 179.77 1ipe h VAL 26 N 0.41 1.26 -0.37 1.67 2.07 -1.04 -1.95 116.25 118.30 1ipe h VAL 26 Ca 0.02 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 1ipe h VAL 26 Cb 1.02 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1ipe h VAL 26 CO 0.09 0.30 -0.10 -0.33 0.02 0.00 0.00 177.57 177.55 1ipe h GLU 27 N 1.22 0.72 -0.14 1.57 5.08 -1.30 -2.03 114.58 119.70 1ipe h GLU 27 Ca 0.30 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 1ipe h GLU 27 Cb 0.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1ipe h GLU 27 CO -0.04 0.88 -0.47 1.49 -1.00 0.00 0.00 179.01 179.86 1ipe h GLU 28 N 0.52 0.36 -0.02 2.33 4.57 -1.16 0.20 114.58 121.38 1ipe h GLU 28 Ca 0.09 -0.20 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 1ipe h GLU 28 Cb 0.61 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.22 1ipe h GLU 28 CO 0.04 0.76 -0.39 -0.07 -1.18 0.00 0.00 179.01 178.16 1ipe h LEU 29 N 0.29 0.37 -0.55 1.64 3.38 -1.38 -2.51 115.31 116.55 1ipe h LEU 29 Ca 0.02 -0.74 -0.04 0.00 0.09 0.00 0.00 57.88 57.21 1ipe h LEU 29 Cb 0.94 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1ipe h LEU 29 CO 0.08 1.06 0.21 0.00 0.09 0.00 0.00 178.44 179.87 1ipe h ALA 30 N 0.32 0.72 0.00 1.53 0.00 -1.37 -1.25 119.26 119.21 1ipe h ALA 30 Ca -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1ipe h ALA 30 Cb 1.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ipe h ALA 30 CO 0.08 0.35 -0.06 0.66 0.00 0.00 0.00 179.25 180.28 1ipe h SER 31 N 0.76 0.00 -0.55 0.00 4.64 -0.65 -1.08 113.55 116.67 1ipe h SER 31 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1ipe h SER 31 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1ipe h SER 31 CO -0.01 0.06 0.00 0.18 -0.87 0.00 0.00 176.83 176.19 1ipe n LEU 32 N -3.66 3.32 0.00 5.97 4.77 -0.75 -4.94 117.00 121.72 1ipe n LEU 32 Ca -0.02 -1.67 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 1ipe n LEU 32 Cb 0.16 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1ipe n LEU 32 CO 0.28 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1ipe n GLY 33 N 1.26 0.74 3.95 -0.72 0.00 -0.41 -1.69 105.19 108.33 1ipe n GLY 33 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1ipe n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ipe s ALA 34 N -2.09 3.71 -0.28 4.61 0.00 -0.55 -2.29 121.76 124.87 1ipe s ALA 34 Ca 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 51.96 50.90 1ipe s ALA 34 Cb 0.00 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 1ipe s ALA 34 CO 0.00 -0.23 0.15 0.45 0.00 0.00 0.00 175.76 176.14 1ipe s SER 35 N -4.13 5.68 0.17 0.00 0.15 0.28 -4.24 113.70 111.60 1ipe s SER 35 Ca 0.45 -0.20 0.07 0.00 0.70 0.00 0.00 55.95 56.97 1ipe s SER 35 Cb -0.10 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 1ipe s SER 35 CO 0.38 -0.09 0.01 -0.69 1.20 0.00 0.00 173.24 174.04 1ipe s VAL 36 N 1.69 3.78 -0.06 4.45 1.01 -1.17 0.30 120.40 130.41 1ipe s VAL 36 Ca 0.06 -1.38 -0.01 0.00 0.00 0.00 0.00 61.98 60.65 1ipe s VAL 36 Cb -0.16 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.35 1ipe s VAL 36 CO 0.08 -0.10 -0.01 -0.47 0.00 0.00 0.00 175.10 174.60 1ipe s TYR 37 N -1.71 0.68 0.45 5.22 6.14 0.31 -1.97 117.35 126.46 1ipe s TYR 37 Ca 0.28 -0.18 0.03 0.00 0.64 0.00 0.00 57.07 57.84 1ipe s TYR 37 Cb -0.09 -0.74 -0.02 0.00 0.42 0.00 0.00 41.96 41.52 1ipe s TYR 37 CO 0.19 -0.28 0.07 -0.08 0.64 0.00 0.00 175.55 176.09 1ipe s THR 38 N 1.59 0.90 0.09 4.34 -1.32 -0.60 -0.71 115.64 119.92 1ipe s THR 38 Ca -0.01 -2.00 -0.23 0.00 -1.21 0.00 0.00 61.69 58.24 1ipe s THR 38 Cb -0.13 -2.32 0.06 0.00 -1.51 0.00 0.00 72.50 68.60 1ipe s THR 38 CO -0.04 0.00 0.55 0.00 -2.21 0.00 0.00 174.62 172.93 1ipe s SER 40 N -2.27 0.05 -0.01 0.00 0.15 -1.25 -0.85 113.70 109.53 1ipe s SER 40 Ca -0.03 -1.06 0.18 0.00 0.70 0.00 0.00 55.95 55.75 1ipe s SER 40 Cb -0.00 0.78 0.54 0.00 -1.71 0.00 0.00 66.02 65.63 1ipe s SER 40 CO -0.06 -1.53 1.45 0.54 1.20 0.00 0.00 173.24 174.84 1ipe n ARG 41 N -0.51 2.48 -3.79 5.44 1.74 -1.26 -1.41 116.66 119.36 1ipe n ARG 41 Ca -0.06 -2.19 -0.27 0.00 -0.77 0.00 0.00 57.85 54.56 1ipe n ARG 41 Cb 0.60 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 30.37 1ipe n ARG 41 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1ipe s ASN 42 N -0.98 2.63 0.09 0.55 3.84 -1.26 -4.91 114.94 114.90 1ipe s ASN 42 Ca 0.41 -0.63 -0.31 0.00 0.21 0.00 0.00 52.86 52.53 1ipe s ASN 42 Cb 0.22 -0.66 -0.14 0.00 -0.55 0.00 0.00 41.25 40.12 1ipe s ASN 42 CO 0.27 -0.25 1.62 -0.61 -2.79 0.00 0.00 177.10 175.34 1ipe h GLN 43 N 8.22 -0.70 -0.44 0.43 5.75 -1.98 -2.15 115.11 124.25 1ipe h GLN 43 Ca -0.19 0.05 0.09 0.00 -0.15 0.00 0.00 58.65 58.45 1ipe h GLN 43 Cb 1.12 0.16 -0.09 0.00 1.07 0.00 0.00 27.48 29.73 1ipe h GLN 43 CO 0.34 -0.46 -0.19 -0.22 -2.65 0.00 0.00 178.83 175.65 1ipe h LYS 44 N -0.72 -0.10 -0.03 1.69 3.11 -1.99 0.19 116.57 118.73 1ipe h LYS 44 Ca -0.03 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.85 1ipe h LYS 44 Cb 0.64 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.85 1ipe h LYS 44 CO -0.03 -0.06 -0.21 1.49 -2.81 0.00 0.00 179.45 177.82 1ipe h GLU 45 N -0.10 -0.31 -0.73 1.90 4.81 -1.98 -1.44 114.58 116.73 1ipe h GLU 45 Ca 0.21 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.57 1ipe h GLU 45 Cb 0.42 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 1ipe h GLU 45 CO -0.50 -0.21 0.48 -0.07 -0.73 0.00 0.00 179.01 177.98 1ipe h LEU 46 N -0.33 0.53 -0.96 1.64 3.38 -0.57 -1.89 115.31 117.11 1ipe h LEU 46 Ca 0.07 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1ipe h LEU 46 Cb 0.42 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1ipe h LEU 46 CO -0.21 0.31 -0.46 0.78 0.09 0.00 0.00 178.44 178.94 1ipe h ASN 47 N 0.58 0.00 0.29 -0.43 2.35 0.39 -1.94 115.58 116.81 1ipe h ASN 47 Ca 0.34 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.88 1ipe h ASN 47 Cb 0.54 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 1ipe h ASN 47 CO -0.12 0.46 -0.85 0.44 -1.65 0.00 0.00 177.43 175.71 1ipe h ASP 48 N 0.00 0.53 0.12 5.81 3.45 -0.83 -2.95 116.42 122.54 1ipe h ASP 48 Ca -0.00 -0.39 -0.01 0.00 0.43 0.00 0.00 57.03 57.06 1ipe h ASP 48 Cb 0.91 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 1ipe h ASP 48 CO 0.06 1.17 -0.06 0.00 -1.57 0.00 0.00 179.24 178.84 1ipe h LEU 50 N -0.31 0.74 -0.46 0.00 3.38 -1.42 0.51 115.31 117.75 1ipe h LEU 50 Ca -0.02 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1ipe h LEU 50 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1ipe h LEU 50 CO 0.03 0.38 -0.15 0.74 0.09 0.00 0.00 178.44 179.52 1ipe h THR 51 N 0.78 1.27 -0.24 0.22 2.02 -1.28 1.00 112.91 116.68 1ipe h THR 51 Ca 0.47 -1.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 1ipe h THR 51 Cb 0.65 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1ipe h THR 51 CO -0.23 0.44 -0.05 1.56 0.37 0.00 0.00 175.52 177.62 1ipe h GLN 52 N 0.75 0.46 -0.11 6.66 4.20 0.99 -2.20 115.11 125.86 1ipe h GLN 52 Ca 0.11 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 1ipe h GLN 52 Cb 0.71 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1ipe h GLN 52 CO 0.05 0.67 -0.21 -1.49 -0.67 0.00 0.00 178.83 177.19 1ipe h TRP 53 N 0.20 0.42 -0.00 2.96 6.55 -0.10 -3.13 115.95 122.85 1ipe h TRP 53 Ca 0.06 -0.15 -0.06 0.00 0.95 0.00 0.00 58.89 59.69 1ipe h TRP 53 Cb 0.50 -0.08 -0.01 0.00 -0.86 0.00 0.00 29.16 28.71 1ipe h TRP 53 CO 0.05 0.82 -0.28 0.00 -1.05 0.00 0.00 178.44 177.98 1ipe h ARG 54 N -0.09 0.00 -0.31 0.49 3.08 -0.88 -1.65 114.38 115.02 1ipe h ARG 54 Ca 0.01 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1ipe h ARG 54 Cb 0.79 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1ipe h ARG 54 CO 0.05 0.28 -0.06 1.03 -1.07 0.00 0.00 179.97 180.19 1ipe h SER 55 N 0.00 0.47 -0.05 7.04 0.87 -1.38 -1.43 113.55 119.06 1ipe h SER 55 Ca -0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1ipe h SER 55 Cb 0.49 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1ipe h SER 55 CO 0.04 0.58 0.00 0.29 -0.53 0.00 0.00 176.83 177.21 1ipe n LYS 56 N -4.25 1.35 -0.62 2.24 5.02 -0.85 -4.90 118.16 116.14 1ipe n LYS 56 Ca 0.01 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 55.79 1ipe n LYS 56 Cb 0.28 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1ipe n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ipe n GLY 57 N 1.00 0.69 3.71 0.72 0.00 -0.54 -5.04 105.19 105.74 1ipe n GLY 57 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1ipe n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ipe s PHE 58 N -2.02 3.65 -0.22 1.61 2.99 -0.68 -4.99 117.98 118.31 1ipe s PHE 58 Ca 0.00 1.67 -0.29 0.00 0.00 0.00 0.00 56.93 58.31 1ipe s PHE 58 Cb 0.00 -3.15 -0.01 0.00 0.00 0.00 0.00 43.02 39.87 1ipe s PHE 58 CO 0.00 -0.12 1.27 0.15 -0.00 0.00 0.00 175.22 176.52 1ipe s LYS 59 N 0.97 4.11 -0.18 0.44 1.02 -1.26 -4.12 119.74 120.73 1ipe s LYS 59 Ca 0.52 1.50 -0.28 0.00 0.02 0.00 0.00 55.97 57.74 1ipe s LYS 59 Cb -0.22 -3.80 0.08 0.00 -0.52 0.00 0.00 37.83 33.37 1ipe s LYS 59 CO 0.28 -0.86 0.77 0.54 -0.92 0.00 0.00 175.35 175.16 1ipe s VAL 60 N 3.82 0.00 0.13 3.17 0.11 -1.26 -3.02 120.40 123.35 1ipe s VAL 60 Ca 0.55 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.64 1ipe s VAL 60 Cb -0.20 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.61 1ipe s VAL 60 CO 0.17 0.00 -0.09 -0.70 -3.33 0.00 0.00 175.10 171.16 1ipe s GLU 61 N -0.37 0.97 -0.05 1.54 2.56 -0.83 -4.97 118.70 117.56 1ipe s GLU 61 Ca -0.04 -1.40 -0.25 0.00 0.00 0.00 0.00 54.97 53.28 1ipe s GLU 61 Cb -0.03 -0.47 0.05 0.00 2.00 0.00 0.00 34.13 35.68 1ipe s GLU 61 CO 0.04 0.04 0.54 0.00 -0.56 0.00 0.00 175.26 175.32 1ipe s ALA 62 N -3.41 -1.41 0.05 6.30 0.00 -1.26 -1.56 121.76 120.47 1ipe s ALA 62 Ca 0.15 1.00 -0.04 0.00 0.00 0.00 0.00 51.96 53.06 1ipe s ALA 62 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 1ipe s ALA 62 CO -0.01 -0.33 0.07 -1.54 0.00 0.00 0.00 175.76 173.95 1ipe s SER 63 N -1.13 0.26 0.28 0.00 1.04 -1.00 -4.97 113.70 108.18 1ipe s SER 63 Ca -0.11 -0.67 -0.27 0.00 0.48 0.00 0.00 55.95 55.38 1ipe s SER 63 Cb -0.02 0.23 -0.09 0.00 0.10 0.00 0.00 66.02 66.23 1ipe s SER 63 CO 0.07 -0.55 0.92 -0.69 0.98 0.00 0.00 173.24 173.97 1ipe s VAL 64 N -3.05 4.20 -0.29 5.02 1.01 -1.26 -3.76 120.40 122.28 1ipe s VAL 64 Ca -0.01 1.86 -0.19 0.00 0.00 0.00 0.00 61.98 63.64 1ipe s VAL 64 Cb 0.01 -4.11 0.14 0.00 0.00 0.00 0.00 36.38 32.42 1ipe s VAL 64 CO -0.07 0.28 1.00 0.00 0.00 0.00 0.00 175.10 176.31 1ipe s ASP 66 N 0.95 6.25 0.27 0.00 2.15 -1.26 -4.19 116.67 120.85 1ipe s ASP 66 Ca -0.05 -1.70 0.13 0.00 0.43 0.00 0.00 52.55 51.36 1ipe s ASP 66 Cb -0.04 -2.26 0.68 0.00 -0.30 0.00 0.00 42.92 41.00 1ipe s ASP 66 CO -0.12 -0.97 1.29 0.18 -0.17 0.00 0.00 175.17 175.38 1ipe n LEU 67 N 5.74 0.33 -1.65 -1.34 4.77 -1.26 -1.60 117.00 121.99 1ipe n LEU 67 Ca -0.08 0.56 -0.12 0.00 -0.03 0.00 0.00 56.01 56.34 1ipe n LEU 67 Cb 0.42 -0.54 0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1ipe n LEU 67 CO 0.54 -0.67 0.98 -1.54 -1.33 0.00 0.00 177.39 175.37 1ipe n SER 68 N -1.98 4.61 -3.44 -1.43 3.41 -1.26 -4.50 113.62 109.03 1ipe n SER 68 Ca -0.01 -2.80 -0.16 0.00 -0.26 0.00 0.00 58.87 55.65 1ipe n SER 68 Cb 0.24 -0.82 -0.11 0.00 -0.26 0.00 0.00 64.21 63.26 1ipe n SER 68 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ipe s SER 69 N 0.21 1.13 0.24 4.04 0.15 -0.62 -4.98 113.70 113.87 1ipe s SER 69 Ca 0.25 -0.19 -0.12 0.00 0.70 0.00 0.00 55.95 56.59 1ipe s SER 69 Cb 0.20 0.59 0.33 0.00 -1.71 0.00 0.00 66.02 65.44 1ipe s SER 69 CO 0.02 -0.33 1.58 -0.09 1.20 0.00 0.00 173.24 175.63 1ipe h ARG 70 N 8.27 -0.02 -0.38 5.44 2.43 -1.88 0.11 114.38 128.36 1ipe h ARG 70 Ca -0.17 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.96 1ipe h ARG 70 Cb 1.14 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1ipe h ARG 70 CO 0.29 -0.01 0.09 0.66 -1.51 0.00 0.00 179.97 179.49 1ipe h SER 71 N -0.02 0.57 -0.11 -3.80 4.64 -1.96 -1.84 113.55 111.03 1ipe h SER 71 Ca 0.39 -0.23 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 1ipe h SER 71 Cb 0.62 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1ipe h SER 71 CO -0.88 0.65 -0.05 -0.33 -0.87 0.00 0.00 176.83 175.35 1ipe h GLU 72 N 0.46 0.37 -0.40 4.77 5.08 -1.57 -0.67 114.58 122.63 1ipe h GLU 72 Ca 0.12 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1ipe h GLU 72 Cb 0.30 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1ipe h GLU 72 CO 0.00 0.44 -0.06 0.00 -1.00 0.00 0.00 179.01 178.39 1ipe h ARG 73 N 0.35 0.74 -0.10 2.33 3.08 -0.43 -0.88 114.38 119.48 1ipe h ARG 73 Ca 0.08 -0.27 -0.11 0.00 0.07 0.00 0.00 59.98 59.75 1ipe h ARG 73 Cb 0.32 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1ipe h ARG 73 CO 0.01 0.86 -0.44 -0.56 -1.07 0.00 0.00 179.97 178.78 1ipe h GLN 74 N 0.56 0.23 -0.34 0.04 3.07 -0.98 -2.29 115.11 115.39 1ipe h GLN 74 Ca 0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 1ipe h GLN 74 Cb 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.11 1ipe h GLN 74 CO 0.03 0.63 0.21 1.49 0.09 0.00 0.00 178.83 181.27 1ipe h GLU 75 N 0.19 0.47 -0.19 0.06 4.57 -0.83 -1.21 114.58 117.63 1ipe h GLU 75 Ca 0.01 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.05 1ipe h GLU 75 Cb 0.85 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1ipe h GLU 75 CO 0.07 0.36 -0.32 1.25 -1.18 0.00 0.00 179.01 179.18 1ipe h LEU 76 N 0.44 0.39 -0.33 1.64 5.85 -0.91 -2.34 115.31 120.05 1ipe h LEU 76 Ca 0.12 -0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 1ipe h LEU 76 Cb 0.01 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1ipe h LEU 76 CO -0.02 0.69 -0.76 -0.03 -0.34 0.00 0.00 178.44 177.97 1ipe h MET 77 N 0.33 0.00 -0.47 1.25 4.05 -1.22 -0.49 114.93 118.38 1ipe h MET 77 Ca 0.04 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.33 1ipe h MET 77 Cb 0.73 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.51 1ipe h MET 77 CO 0.06 0.76 -0.21 -0.97 0.23 0.00 0.00 176.91 176.78 1ipe h ASN 78 N 0.00 1.00 -0.14 1.39 -0.00 -1.02 -0.86 115.58 115.95 1ipe h ASN 78 Ca -0.01 -0.40 -0.09 0.00 -0.00 0.00 0.00 56.30 55.81 1ipe h ASN 78 Cb 1.43 -0.28 0.00 0.00 -0.00 0.00 0.00 38.32 39.47 1ipe h ASN 78 CO 0.10 1.18 -0.25 0.74 -0.00 0.00 0.00 177.43 179.20 1ipe h THR 79 N 0.83 1.37 0.62 -3.57 2.02 -1.32 -2.42 112.91 110.43 1ipe h THR 79 Ca 0.11 -1.50 -0.02 0.00 0.77 0.00 0.00 66.41 65.77 1ipe h THR 79 Cb 0.79 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1ipe h THR 79 CO 0.07 0.44 -0.44 0.58 0.37 0.00 0.00 175.52 176.54 1ipe h VAL 80 N 0.02 0.12 -1.02 3.16 2.07 -1.06 0.16 116.25 119.70 1ipe h VAL 80 Ca 0.01 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.79 1ipe h VAL 80 Cb 0.83 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 1ipe h VAL 80 CO 0.06 0.00 0.67 0.00 0.02 0.00 0.00 177.57 178.31 1ipe h ALA 81 N -0.80 2.32 0.19 1.67 0.00 -1.21 0.86 119.26 122.29 1ipe h ALA 81 Ca -0.08 0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 1ipe h ALA 81 Cb 0.84 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.68 1ipe h ALA 81 CO 0.04 -0.69 -1.36 -0.91 0.00 0.00 0.00 179.25 176.34 1ipe h ASN 82 N 0.35 0.66 -0.33 0.00 2.35 -0.99 0.67 115.58 118.28 1ipe h ASN 82 Ca 0.56 -0.70 -0.04 0.00 -0.55 0.00 0.00 56.30 55.57 1ipe h ASN 82 Cb 1.50 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.63 1ipe h ASN 82 CO -0.23 1.54 0.07 -0.74 -1.65 0.00 0.00 177.43 176.42 1ipe h HIS 83 N 0.12 0.65 -0.46 1.19 2.76 0.14 -2.95 115.15 116.60 1ipe h HIS 83 Ca -0.20 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 1ipe h HIS 83 Cb 2.06 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.83 1ipe h HIS 83 CO 0.10 0.58 0.00 1.19 -1.30 0.00 0.00 177.93 178.50 1ipe n PHE 84 N -4.30 0.60 -3.03 5.26 3.72 0.08 -4.98 117.46 114.83 1ipe n PHE 84 Ca 0.02 -0.33 -0.19 0.00 -0.05 0.00 0.00 57.45 56.90 1ipe n PHE 84 Cb 0.22 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.80 1ipe n PHE 84 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1ipe n HIS 85 N 1.39 -1.84 -1.46 1.38 8.25 -0.65 -3.18 115.22 119.10 1ipe n HIS 85 Ca 0.19 0.55 -0.05 0.00 -0.26 0.00 0.00 57.72 58.15 1ipe n HIS 85 Cb 0.58 -4.02 -0.01 0.00 1.12 0.00 0.00 29.99 27.65 1ipe n HIS 85 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ipe n GLY 86 N -1.49 0.54 2.83 -1.41 0.00 0.22 -5.01 105.19 100.87 1ipe n GLY 86 Ca -0.07 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 1ipe n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ipe s LYS 87 N -3.03 0.87 -0.07 1.61 -0.14 -1.19 -4.56 119.74 113.23 1ipe s LYS 87 Ca 0.00 -0.02 -0.01 0.00 -1.36 0.00 0.00 55.97 54.57 1ipe s LYS 87 Cb 0.00 -1.09 0.03 0.00 -1.68 0.00 0.00 37.83 35.09 1ipe s LYS 87 CO 0.00 -0.24 -0.01 -1.17 -0.76 0.00 0.00 175.35 173.17 1ipe s LEU 88 N 1.68 0.66 -0.16 3.17 2.96 0.15 -4.80 118.68 122.34 1ipe s LEU 88 Ca 0.01 -0.10 -0.19 0.00 -0.22 0.00 0.00 54.13 53.64 1ipe s LEU 88 Cb -0.13 -0.47 -0.23 0.00 0.50 0.00 0.00 46.19 45.86 1ipe s LEU 88 CO -0.05 -0.18 0.39 0.78 -1.32 0.00 0.00 176.35 175.97 1ipe h ASN 89 N 8.27 0.17 -4.07 3.68 4.21 -1.73 -3.16 115.58 122.96 1ipe h ASN 89 Ca -0.21 -0.72 -0.65 0.00 1.21 0.00 0.00 56.30 55.92 1ipe h ASN 89 Cb 1.13 -0.06 -0.31 0.00 -1.12 0.00 0.00 38.32 37.96 1ipe h ASN 89 CO 0.28 1.53 -0.87 -0.63 -1.29 0.00 0.00 177.43 176.45 1ipe s ILE 90 N -2.41 1.87 -0.16 2.81 1.01 -0.51 -0.70 121.20 123.11 1ipe s ILE 90 Ca -0.24 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.42 1ipe s ILE 90 Cb 0.05 -1.58 0.05 0.00 0.01 0.00 0.00 42.46 40.98 1ipe s ILE 90 CO 0.68 0.52 -0.01 -0.22 0.00 0.00 0.00 174.94 175.91 1ipe s LEU 91 N -0.17 1.33 -0.32 2.97 2.96 -0.76 -1.06 118.68 123.63 1ipe s LEU 91 Ca -0.02 -0.65 -0.05 0.00 -0.22 0.00 0.00 54.13 53.20 1ipe s LEU 91 Cb -0.12 -0.73 0.04 0.00 0.50 0.00 0.00 46.19 45.87 1ipe s LEU 91 CO 0.03 -0.23 0.06 -0.69 -1.32 0.00 0.00 176.35 174.20 1ipe s VAL 92 N 1.76 3.54 -1.17 1.68 1.01 -0.61 -0.75 120.40 125.86 1ipe s VAL 92 Ca 0.01 -1.15 -0.16 0.00 0.00 0.00 0.00 61.98 60.68 1ipe s VAL 92 Cb -0.16 -2.98 0.14 0.00 0.00 0.00 0.00 36.38 33.38 1ipe s VAL 92 CO -0.07 -0.11 1.44 0.20 0.00 0.00 0.00 175.10 176.55 1ipe s ASN 93 N 1.37 6.94 0.03 3.32 0.02 -0.32 -2.27 114.94 124.03 1ipe s ASN 93 Ca -0.02 -2.69 0.18 0.00 -1.02 0.00 0.00 52.86 49.31 1ipe s ASN 93 Cb -0.19 -2.44 -0.16 0.00 0.02 0.00 0.00 41.25 38.48 1ipe s ASN 93 CO 0.01 -0.90 0.72 -3.20 0.02 0.00 0.00 177.10 173.76 1ipe n ASN 94 N 6.39 0.69 -4.77 -1.22 5.15 -1.23 -2.57 115.26 117.69 1ipe n ASN 94 Ca 0.37 0.30 -0.40 0.00 -0.60 0.00 0.00 54.58 54.24 1ipe n ASN 94 Cb 0.45 0.44 0.01 0.00 -0.53 0.00 0.00 39.78 40.14 1ipe n ASN 94 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ipe s ALA 95 N -2.96 3.38 -0.15 5.20 0.00 -0.95 -4.92 121.76 121.37 1ipe s ALA 95 Ca -0.04 1.47 -0.34 0.00 0.00 0.00 0.00 51.96 53.05 1ipe s ALA 95 Cb 0.09 -3.58 0.13 0.00 0.00 0.00 0.00 23.12 19.76 1ipe s ALA 95 CO 0.82 -1.06 1.15 0.20 0.00 0.00 0.00 175.76 176.87 1ipe s GLY 96 N -0.40 -0.33 0.20 0.00 0.00 -1.26 -4.70 107.32 100.83 1ipe s GLY 96 Ca 0.57 1.46 -0.00 0.00 0.00 0.00 0.00 44.72 46.74 1ipe s GLY 96 CO 0.58 0.48 0.09 -0.26 0.00 0.00 0.00 173.10 173.99 1ipe s ILE 97 N -2.55 0.25 -0.02 0.90 -4.36 -1.26 -5.05 121.20 109.11 1ipe s ILE 97 Ca 0.09 -1.98 -0.02 0.00 -0.26 0.00 0.00 60.65 58.48 1ipe s ILE 97 Cb -0.01 -2.38 0.00 0.00 1.25 0.00 0.00 42.46 41.32 1ipe s ILE 97 CO -0.05 -0.17 0.05 0.68 0.24 0.00 0.00 174.94 175.69 1ipe s VAL 98 N -3.97 0.00 -0.26 8.37 -7.23 -1.26 -4.94 120.40 111.11 1ipe s VAL 98 Ca 0.33 -0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.47 1ipe s VAL 98 Cb 0.07 -0.09 0.08 0.00 0.56 0.00 0.00 36.38 37.00 1ipe s VAL 98 CO 0.09 -0.02 0.00 -0.63 -0.31 0.00 0.00 175.10 174.23 1ipe s ILE 99 N -0.04 1.42 -1.11 -0.62 1.01 -1.26 -5.06 121.20 115.54 1ipe s ILE 99 Ca -0.01 -1.38 -0.19 0.00 0.00 0.00 0.00 60.65 59.07 1ipe s ILE 99 Cb -0.01 -1.84 -0.06 0.00 0.01 0.00 0.00 42.46 40.56 1ipe s ILE 99 CO 0.00 -0.32 2.03 -1.22 0.00 0.00 0.00 174.94 175.43 1ipe n TYR 100 N 4.68 2.78 -4.29 3.97 4.01 -1.26 -4.88 117.16 122.17 1ipe n TYR 100 Ca -0.07 -2.31 -0.18 0.00 -0.16 0.00 0.00 57.90 55.19 1ipe n TYR 100 Cb 0.44 -2.17 -0.10 0.00 -0.31 0.00 0.00 39.34 37.19 1ipe n TYR 100 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1ipe s LYS 101 N 4.36 1.16 0.73 -0.72 1.02 -1.25 -4.94 119.74 120.11 1ipe s LYS 101 Ca 0.54 -1.42 -0.12 0.00 0.02 0.00 0.00 55.97 54.98 1ipe s LYS 101 Cb 0.12 -0.96 0.04 0.00 -0.52 0.00 0.00 37.83 36.51 1ipe s LYS 101 CO 0.04 0.16 1.10 -1.21 -0.92 0.00 0.00 175.35 174.52 1ipe s GLU 102 N -3.26 2.42 0.24 1.68 2.02 -1.26 -4.55 118.70 115.99 1ipe s GLU 102 Ca 0.16 1.28 -0.05 0.00 0.02 0.00 0.00 54.97 56.38 1ipe s GLU 102 Cb -0.02 -1.91 0.35 0.00 0.10 0.00 0.00 34.13 32.65 1ipe s GLU 102 CO 0.04 -1.53 1.85 0.00 0.02 0.00 0.00 175.26 175.64 1ipe h ALA 103 N -0.69 1.20 0.00 5.21 0.00 -1.97 -2.19 119.26 120.82 1ipe h ALA 103 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ipe h ALA 103 Cb 1.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ipe h ALA 103 CO 0.52 0.26 0.00 1.57 0.00 0.00 0.00 179.25 181.60 1ipe h LYS 104 N 0.96 0.00 0.00 0.00 2.10 -2.05 -3.05 116.57 114.53 1ipe h LYS 104 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 1ipe h LYS 104 Cb 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1ipe h LYS 104 CO -0.19 0.00 -0.56 -0.25 -2.00 0.00 0.00 179.45 176.46 1ipe n ASP 105 N -3.06 0.55 -4.73 7.07 10.43 -0.84 -4.91 116.55 121.06 1ipe n ASP 105 Ca 0.01 -0.13 -0.42 0.00 2.57 0.00 0.00 54.79 56.83 1ipe n ASP 105 Cb 0.35 0.25 -0.03 0.00 1.84 0.00 0.00 41.12 43.53 1ipe n ASP 105 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1ipe s TYR 106 N -3.06 2.99 0.54 1.24 2.02 -1.13 -4.95 117.35 115.00 1ipe s TYR 106 Ca 0.09 0.67 -0.05 0.00 -0.37 0.00 0.00 57.07 57.42 1ipe s TYR 106 Cb 0.16 -3.96 -0.01 0.00 -0.40 0.00 0.00 41.96 37.76 1ipe s TYR 106 CO 0.71 -3.46 0.84 0.95 -1.57 0.00 0.00 175.55 173.02 1ipe s THR 107 N 0.80 4.04 0.30 -0.71 -4.23 -1.26 -4.91 115.64 109.67 1ipe s THR 107 Ca 0.68 -0.01 -0.00 0.00 -1.18 0.00 0.00 61.69 61.17 1ipe s THR 107 Cb -0.45 -3.57 0.19 0.00 1.34 0.00 0.00 72.50 70.02 1ipe s THR 107 CO 0.36 -0.55 1.89 0.58 -0.54 0.00 0.00 174.62 176.35 1ipe h VAL 108 N 0.01 1.21 -0.69 2.29 2.07 -1.99 -0.30 116.25 118.85 1ipe h VAL 108 Ca -0.46 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 1ipe h VAL 108 Cb 1.24 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1ipe h VAL 108 CO 0.60 0.26 0.20 -0.08 0.02 0.00 0.00 177.57 178.57 1ipe h GLU 109 N 0.83 1.08 0.01 1.57 4.81 -1.99 0.49 114.58 121.38 1ipe h GLU 109 Ca 0.20 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1ipe h GLU 109 Cb 0.16 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ipe h GLU 109 CO -0.02 0.93 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.74 1ipe h ASP 110 N 1.03 -0.02 -0.46 1.04 3.45 -1.72 -1.30 116.42 118.45 1ipe h ASP 110 Ca 0.22 -0.16 0.03 0.00 0.43 0.00 0.00 57.03 57.56 1ipe h ASP 110 Cb 0.31 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.05 1ipe h ASP 110 CO -0.01 0.15 0.24 0.22 -1.57 0.00 0.00 179.24 178.28 1ipe h TYR 111 N -0.18 0.45 -0.65 4.55 5.03 -0.74 -2.15 116.97 123.28 1ipe h TYR 111 Ca -0.00 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.35 1ipe h TYR 111 Cb 0.17 -0.14 -0.04 0.00 1.55 0.00 0.00 36.73 38.28 1ipe h TYR 111 CO -0.02 0.24 0.41 0.77 -1.32 0.00 0.00 178.16 178.24 1ipe h SER 112 N 0.49 0.68 0.79 -2.11 0.02 -0.77 -2.31 113.55 110.32 1ipe h SER 112 Ca 0.19 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1ipe h SER 112 Cb 0.07 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.47 1ipe h SER 112 CO -0.12 0.47 -0.40 0.25 -1.14 0.00 0.00 176.83 175.90 1ipe h LEU 113 N 0.81 -0.96 -0.59 5.07 5.85 -0.62 -2.33 115.31 122.53 1ipe h LEU 113 Ca 0.25 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1ipe h LEU 113 Cb -0.01 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1ipe h LEU 113 CO -0.09 -0.66 0.37 -0.29 -0.34 0.00 0.00 178.44 177.42 1ipe h ILE 114 N -1.08 1.17 -0.55 4.05 2.10 -1.41 -2.41 117.51 119.38 1ipe h ILE 114 Ca -0.11 -0.36 -0.03 0.00 1.08 0.00 0.00 64.86 65.44 1ipe h ILE 114 Cb 0.84 0.35 -0.02 0.00 -1.09 0.00 0.00 36.82 36.89 1ipe h ILE 114 CO 0.16 0.17 0.21 -0.03 -1.08 0.00 0.00 178.15 177.59 1ipe h MET 115 N 0.80 0.83 -0.37 2.19 4.05 -1.46 0.94 114.93 121.91 1ipe h MET 115 Ca 0.21 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1ipe h MET 115 Cb -0.04 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 1ipe h MET 115 CO -0.04 0.73 0.14 0.66 0.23 0.00 0.00 176.91 178.63 1ipe h SER 116 N 0.76 0.52 0.09 1.39 4.64 -1.27 -1.04 113.55 118.63 1ipe h SER 116 Ca 0.18 -0.18 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1ipe h SER 116 Cb 0.21 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1ipe h SER 116 CO -0.01 0.55 -0.54 0.40 -0.87 0.00 0.00 176.83 176.36 1ipe h ILE 117 N 0.45 1.59 -0.34 0.95 2.04 -1.38 -0.30 117.51 120.53 1ipe h ILE 117 Ca 0.12 -2.42 -0.13 0.00 1.00 0.00 0.00 64.86 63.43 1ipe h ILE 117 Cb 0.20 3.20 -0.01 0.00 -0.74 0.00 0.00 36.82 39.48 1ipe h ILE 117 CO -0.01 0.67 -0.29 0.78 0.00 0.00 0.00 178.15 179.30 1ipe h ASN 118 N -0.54 0.85 0.00 1.72 4.21 -0.87 -3.37 115.58 117.57 1ipe h ASN 118 Ca -0.09 -0.45 -0.06 0.00 1.21 0.00 0.00 56.30 56.91 1ipe h ASN 118 Cb 1.40 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 38.35 1ipe h ASN 118 CO 0.10 1.12 -1.22 0.33 -1.29 0.00 0.00 177.43 176.47 1ipe n PHE 119 N -4.20 0.00 0.15 1.19 7.35 -0.52 -4.58 117.46 116.84 1ipe n PHE 119 Ca -0.03 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.55 1ipe n PHE 119 Cb 0.48 -0.16 -0.06 0.00 0.35 0.00 0.00 39.48 40.09 1ipe n PHE 119 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1ipe h GLU 120 N 0.00 -0.41 -0.39 -4.13 4.81 -1.14 -2.21 114.58 111.11 1ipe h GLU 120 Ca -0.09 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1ipe h GLU 120 Cb 1.19 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 1ipe h GLU 120 CO 0.00 -0.11 0.26 0.00 -0.73 0.00 0.00 179.01 178.44 1ipe h ALA 121 N -0.65 1.78 -0.18 2.92 0.00 -1.21 0.18 119.26 122.10 1ipe h ALA 121 Ca -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1ipe h ALA 121 Cb 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ipe h ALA 121 CO 0.07 0.19 -0.05 0.00 0.00 0.00 0.00 179.25 179.46 1ipe h ALA 122 N 1.76 0.25 0.10 0.00 0.00 -1.75 0.61 119.26 120.23 1ipe h ALA 122 Ca 0.15 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ipe h ALA 122 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ipe h ALA 122 CO -0.03 0.03 -0.05 -0.92 0.00 0.00 0.00 179.25 178.27 1ipe h TYR 123 N 0.06 -0.13 -0.84 0.00 3.20 -0.87 -2.19 116.97 116.21 1ipe h TYR 123 Ca 0.05 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1ipe h TYR 123 Cb 0.49 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 1ipe h TYR 123 CO 0.05 0.07 0.45 1.25 -1.64 0.00 0.00 178.16 178.34 1ipe h HIS 124 N -0.31 1.17 -0.28 -3.82 2.76 -0.66 -2.76 115.15 111.25 1ipe h HIS 124 Ca -0.01 -0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 57.97 1ipe h HIS 124 Cb 0.26 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 1ipe h HIS 124 CO -0.02 0.81 -0.44 -0.07 -1.30 0.00 0.00 177.93 176.92 1ipe h LEU 125 N 1.18 0.78 -1.11 0.26 3.38 -0.84 -2.23 115.31 116.72 1ipe h LEU 125 Ca 0.30 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1ipe h LEU 125 Cb 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1ipe h LEU 125 CO -0.05 1.10 0.31 0.28 0.09 0.00 0.00 178.44 180.18 1ipe h SER 126 N 0.58 0.85 0.05 -0.43 0.02 -1.19 -1.56 113.55 111.86 1ipe h SER 126 Ca 0.04 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1ipe h SER 126 Cb 0.99 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1ipe h SER 126 CO 0.09 0.72 -0.02 0.58 -1.14 0.00 0.00 176.83 177.06 1ipe h VAL 127 N 0.94 1.23 0.00 2.27 2.07 -1.31 -1.48 116.25 119.98 1ipe h VAL 127 Ca 0.23 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1ipe h VAL 127 Cb 0.10 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1ipe h VAL 127 CO -0.03 0.24 -0.02 -0.07 0.02 0.00 0.00 177.57 177.71 1ipe h LEU 128 N -0.49 0.00 0.00 2.57 3.38 -1.29 -1.52 115.31 117.96 1ipe h LEU 128 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1ipe h LEU 128 Cb 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1ipe h LEU 128 CO 0.01 0.02 -1.09 0.00 0.09 0.00 0.00 178.44 177.47 1ipe h ALA 129 N 1.98 0.61 -0.75 1.53 0.00 -1.13 -3.40 119.26 118.10 1ipe h ALA 129 Ca -0.00 -0.83 0.14 0.00 0.00 0.00 0.00 54.91 54.21 1ipe h ALA 129 Cb 0.06 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 17.82 1ipe h ALA 129 CO 0.00 1.00 -0.23 1.58 0.00 0.00 0.00 179.25 181.60 1ipe n HIS 130 N -3.11 0.17 0.03 0.00 -0.00 -0.57 -0.56 115.22 111.18 1ipe n HIS 130 Ca -0.05 0.92 0.02 0.00 -0.00 0.00 0.00 57.72 58.60 1ipe n HIS 130 Cb 0.86 -0.87 0.35 0.00 -0.00 0.00 0.00 29.99 30.33 1ipe n HIS 130 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1ipe h PRO 131 N 0.00 0.46 0.00 1.57 0.11 -1.77 0.11 132.00 132.48 1ipe h PRO 131 Ca 0.32 -0.08 -0.19 0.00 0.11 0.00 0.00 66.00 66.16 1ipe h PRO 131 Cb 0.51 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 1ipe h PRO 131 CO -0.76 0.46 -0.91 0.74 -0.21 0.00 0.00 178.00 177.31 1ipe h PHE 132 N 0.45 0.00 -0.10 0.65 0.04 -1.08 0.23 116.94 117.12 1ipe h PHE 132 Ca 0.10 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.69 1ipe h PHE 132 Cb 0.24 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.40 1ipe h PHE 132 CO 0.01 0.89 -0.67 -0.07 -0.60 0.00 0.00 178.31 177.87 1ipe h LEU 133 N 0.00 0.77 -0.21 1.54 3.38 -1.02 0.47 115.31 120.23 1ipe h LEU 133 Ca -0.02 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 57.26 1ipe h LEU 133 Cb 1.69 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1ipe h LEU 133 CO 0.11 1.30 -0.01 0.50 0.09 0.00 0.00 178.44 180.44 1ipe h LYS 134 N 0.29 0.38 -0.52 1.13 3.64 -0.76 -2.86 116.57 117.87 1ipe h LYS 134 Ca -0.05 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1ipe h LYS 134 Cb 1.31 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1ipe h LYS 134 CO 0.14 0.58 0.32 0.00 -2.27 0.00 0.00 179.45 178.22 1ipe h ALA 135 N 0.79 1.59 0.00 5.00 0.00 -0.57 -1.38 119.26 124.69 1ipe h ALA 135 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ipe h ALA 135 Cb 0.41 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ipe h ALA 135 CO 0.01 0.37 0.00 0.66 0.00 0.00 0.00 179.25 180.29 1ipe h SER 136 N 0.71 0.00 0.00 0.00 4.64 -1.04 -3.46 113.55 114.39 1ipe h SER 136 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1ipe h SER 136 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1ipe h SER 136 CO -0.04 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.30 1ipe n GLU 137 N -2.94 0.00 -3.20 4.77 -0.58 -0.52 -4.80 120.64 113.37 1ipe n GLU 137 Ca -0.02 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.50 1ipe n GLU 137 Cb 0.09 -1.83 -0.06 0.00 -0.57 0.00 0.00 31.44 29.07 1ipe n GLU 137 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1ipe n ARG 138 N -1.82 0.44 -2.75 3.49 0.63 -1.26 -4.89 116.66 110.50 1ipe n ARG 138 Ca 0.00 -2.93 -0.32 0.00 -0.92 0.00 0.00 57.85 53.69 1ipe n ARG 138 Cb 0.00 -1.48 -0.04 0.00 0.45 0.00 0.00 32.46 31.39 1ipe n ARG 138 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1ipe s GLY 139 N -0.39 2.13 -0.25 5.14 0.00 -0.75 -4.72 107.32 108.48 1ipe s GLY 139 Ca 0.33 0.06 -0.05 0.00 0.00 0.00 0.00 44.72 45.07 1ipe s GLY 139 CO -0.16 0.30 0.47 -1.31 0.00 0.00 0.00 173.10 172.41 1ipe s ASN 140 N -2.81 -0.45 -0.16 1.64 0.01 0.12 -1.27 114.94 112.03 1ipe s ASN 140 Ca 0.56 0.80 -0.04 0.00 -0.71 0.00 0.00 52.86 53.48 1ipe s ASN 140 Cb -0.10 1.57 -0.03 0.00 0.41 0.00 0.00 41.25 43.11 1ipe s ASN 140 CO 0.26 -0.26 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.86 1ipe s VAL 141 N 2.68 3.85 -0.11 1.60 1.01 0.35 -1.83 120.40 127.96 1ipe s VAL 141 Ca 0.07 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1ipe s VAL 141 Cb -0.14 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1ipe s VAL 141 CO -0.16 0.49 -0.11 -0.69 0.00 0.00 0.00 175.10 174.63 1ipe s VAL 142 N 0.41 1.19 -0.24 2.92 1.01 0.07 -1.23 120.40 124.53 1ipe s VAL 142 Ca -0.04 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1ipe s VAL 142 Cb -0.14 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1ipe s VAL 142 CO 0.03 0.39 0.13 -0.36 0.00 0.00 0.00 175.10 175.28 1ipe s PHE 143 N 1.32 3.23 -0.58 5.22 0.08 0.00 -1.18 117.98 126.07 1ipe s PHE 143 Ca -0.02 0.03 -0.26 0.00 0.12 0.00 0.00 56.93 56.81 1ipe s PHE 143 Cb -0.14 -2.25 0.04 0.00 -0.57 0.00 0.00 43.02 40.10 1ipe s PHE 143 CO -0.05 -0.06 1.05 0.42 -0.10 0.00 0.00 175.22 176.48 1ipe s ILE 144 N 1.19 4.21 0.00 0.64 -1.09 -1.06 -1.46 121.20 123.63 1ipe s ILE 144 Ca 0.06 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 58.94 1ipe s ILE 144 Cb -0.14 -4.64 0.00 0.00 -1.58 0.00 0.00 42.46 36.10 1ipe s ILE 144 CO 0.05 -1.26 0.00 -0.24 -1.23 0.00 0.00 174.94 172.26 1ipe n SER 145 N 7.93 0.00 0.00 3.58 2.88 -0.53 -4.90 113.62 122.59 1ipe n SER 145 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1ipe n SER 145 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1ipe n SER 145 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ipe n SER 146 N 0.00 0.00 0.03 -3.46 2.88 -1.26 -4.28 113.62 107.52 1ipe n SER 146 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1ipe n SER 146 Cb 0.00 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.72 1ipe n SER 146 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1ipe h VAL 147 N 0.22 1.23 0.00 2.46 -1.51 -1.69 -1.81 116.25 115.16 1ipe h VAL 147 Ca 0.00 -1.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.42 1ipe h VAL 147 Cb 0.00 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1ipe h VAL 147 CO 0.00 0.34 0.00 -1.54 -1.23 0.00 0.00 177.57 175.14 1ipe n SER 148 N -4.19 0.00 -0.25 4.19 3.41 -1.26 -1.05 113.62 114.47 1ipe n SER 148 Ca 0.00 -0.04 0.13 0.00 -0.26 0.00 0.00 58.87 58.71 1ipe n SER 148 Cb 0.34 -0.15 0.46 0.00 -0.26 0.00 0.00 64.21 64.60 1ipe n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ipe n GLY 149 N -0.54 -0.58 0.00 5.00 0.00 -0.68 -4.19 105.19 104.20 1ipe n GLY 149 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1ipe n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ipe n ALA 150 N -0.58 0.91 -2.76 4.61 0.00 -0.21 -4.04 120.51 118.43 1ipe n ALA 150 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 1ipe n ALA 150 Cb 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.65 1ipe n ALA 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ipe s LEU 151 N -1.31 2.11 0.12 0.00 1.43 -0.86 -5.12 118.68 115.04 1ipe s LEU 151 Ca 0.00 -0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 52.50 1ipe s LEU 151 Cb 0.00 -0.31 -0.09 0.00 0.03 0.00 0.00 46.19 45.81 1ipe s LEU 151 CO 0.00 -0.01 1.67 0.00 0.23 0.00 0.00 176.35 178.24 1ipe s ALA 152 N -0.61 3.74 0.01 4.21 0.00 -1.26 -4.37 121.76 123.48 1ipe s ALA 152 Ca -0.01 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.30 1ipe s ALA 152 Cb -0.05 -3.69 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 1ipe s ALA 152 CO 0.00 -1.03 -0.09 0.08 0.00 0.00 0.00 175.76 174.72 1ipe s VAL 153 N 2.16 0.71 -0.06 0.00 1.01 -1.26 -5.07 120.40 117.89 1ipe s VAL 153 Ca 0.74 -0.57 -0.32 0.00 0.00 0.00 0.00 61.98 61.83 1ipe s VAL 153 Cb -0.43 -0.63 -0.10 0.00 0.00 0.00 0.00 36.38 35.22 1ipe s VAL 153 CO 0.33 0.06 1.96 -2.65 0.00 0.00 0.00 175.10 174.80 1ipe n PRO 154 N 2.49 2.40 -0.96 2.72 -0.02 -1.26 -2.19 135.00 138.18 1ipe n PRO 154 Ca -0.16 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1ipe n PRO 154 Cb 0.56 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1ipe n PRO 154 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ipe n TYR 155 N 7.48 0.00 -1.80 6.00 4.01 -1.26 -4.93 117.16 126.66 1ipe n TYR 155 Ca 0.23 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 58.02 1ipe n TYR 155 Cb 0.35 -0.22 0.17 0.00 -0.31 0.00 0.00 39.34 39.33 1ipe n TYR 155 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1ipe n GLU 156 N -2.96 1.31 0.00 -0.72 1.02 -0.93 -3.86 120.64 114.50 1ipe n GLU 156 Ca 0.00 -3.06 -0.12 0.00 -0.02 0.00 0.00 57.16 53.96 1ipe n GLU 156 Cb 0.00 -1.30 -0.07 0.00 -0.02 0.00 0.00 31.44 30.04 1ipe n GLU 156 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ipe h ALA 157 N 1.03 0.06 0.01 0.62 0.00 -1.83 0.22 119.26 119.37 1ipe h ALA 157 Ca -0.04 -0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.51 1ipe h ALA 157 Cb 1.20 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1ipe h ALA 157 CO 0.04 -0.33 -1.33 0.28 0.00 0.00 0.00 179.25 177.90 1ipe h VAL 158 N -0.13 1.32 -0.22 0.00 2.07 -1.87 -2.82 116.25 114.60 1ipe h VAL 158 Ca 0.01 -3.08 -0.02 0.00 0.82 0.00 0.00 66.70 64.43 1ipe h VAL 158 Cb 0.21 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1ipe h VAL 158 CO -0.00 0.77 0.05 0.22 0.02 0.00 0.00 177.57 178.63 1ipe h TYR 159 N 0.01 0.37 0.00 1.57 5.03 -1.85 -2.37 116.97 119.72 1ipe h TYR 159 Ca -0.14 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.13 1ipe h TYR 159 Cb 1.89 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 40.07 1ipe h TYR 159 CO 0.01 0.46 0.00 0.78 -1.32 0.00 0.00 178.16 178.08 1ipe h GLY 160 N 0.17 0.00 1.16 1.82 0.00 -0.60 -2.51 103.07 103.11 1ipe h GLY 160 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.09 1ipe h GLY 160 CO 0.00 0.00 -1.32 0.00 0.00 0.00 0.00 176.54 175.22 1ipe h ALA 161 N 2.06 -0.12 -0.22 3.60 0.00 -1.16 -1.87 119.26 121.55 1ipe h ALA 161 Ca 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 1ipe h ALA 161 Cb 0.18 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ipe h ALA 161 CO 0.00 0.64 0.09 1.79 0.00 0.00 0.00 179.25 181.77 1ipe h THR 162 N 0.10 1.09 0.13 0.00 1.35 -1.25 -0.64 112.91 113.68 1ipe h THR 162 Ca -0.22 -0.27 -0.28 0.00 -0.55 0.00 0.00 66.41 65.08 1ipe h THR 162 Cb 2.03 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1ipe h THR 162 CO 0.25 0.10 -1.33 0.11 -0.25 0.00 0.00 175.52 174.40 1ipe h LYS 163 N 0.30 0.27 -0.67 4.72 1.79 -1.56 -2.42 116.57 119.01 1ipe h LYS 163 Ca 0.08 -0.46 -0.05 0.00 -2.18 0.00 0.00 60.65 58.04 1ipe h LYS 163 Cb 0.06 0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.85 1ipe h LYS 163 CO -0.01 1.19 0.22 0.78 -1.08 0.00 0.00 179.45 180.55 1ipe h GLY 164 N 1.61 1.08 0.83 3.86 0.00 -0.77 -1.07 103.07 108.61 1ipe h GLY 164 Ca -0.17 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 1ipe h GLY 164 CO 0.19 0.56 0.03 0.00 0.00 0.00 0.00 176.54 177.33 1ipe h ALA 165 N 1.27 0.24 -0.93 3.60 0.00 -1.15 -3.02 119.26 119.28 1ipe h ALA 165 Ca 0.22 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1ipe h ALA 165 Cb 0.25 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1ipe h ALA 165 CO -0.01 -0.09 0.60 1.98 0.00 0.00 0.00 179.25 181.73 1ipe h MET 166 N 0.09 1.00 -0.72 0.00 -1.53 -1.13 -2.24 114.93 110.40 1ipe h MET 166 Ca 0.06 -0.06 -0.06 0.00 -3.44 0.00 0.00 59.70 56.19 1ipe h MET 166 Cb 0.31 -0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 31.10 1ipe h MET 166 CO 0.00 0.66 0.21 -0.44 0.14 0.00 0.00 176.91 177.48 1ipe h ASP 167 N 1.03 1.06 0.25 1.39 3.45 -1.08 -1.76 116.42 120.75 1ipe h ASP 167 Ca 0.41 -0.21 -0.14 0.00 0.43 0.00 0.00 57.03 57.53 1ipe h ASP 167 Cb 0.25 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 1ipe h ASP 167 CO -0.17 0.99 -0.53 -0.61 -1.57 0.00 0.00 179.24 177.36 1ipe h GLN 168 N 1.08 0.31 0.00 3.56 5.75 -1.37 -2.67 115.11 121.77 1ipe h GLN 168 Ca 0.23 -0.19 -0.08 0.00 -0.15 0.00 0.00 58.65 58.47 1ipe h GLN 168 Cb 0.32 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 1ipe h GLN 168 CO -0.00 0.76 -0.37 1.25 -2.65 0.00 0.00 178.83 177.82 1ipe h LEU 169 N 0.24 0.00 -0.09 -2.39 5.85 -1.08 -2.85 115.31 114.99 1ipe h LEU 169 Ca 0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1ipe h LEU 169 Cb 1.01 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1ipe h LEU 169 CO 0.09 0.37 -0.02 0.74 -0.34 0.00 0.00 178.44 179.27 1ipe h THR 170 N 0.00 1.28 -0.63 1.05 2.02 -0.98 -2.10 112.91 113.55 1ipe h THR 170 Ca -0.00 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.23 1ipe h THR 170 Cb 0.83 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 1ipe h THR 170 CO 0.05 0.26 0.28 0.03 0.37 0.00 0.00 175.52 176.51 1ipe h ARG 171 N -0.14 0.90 0.03 6.66 3.08 -1.40 -2.36 114.38 121.15 1ipe h ARG 171 Ca 0.02 -0.12 -0.22 0.00 0.07 0.00 0.00 59.98 59.73 1ipe h ARG 171 Cb 0.41 -0.17 0.02 0.00 0.08 0.00 0.00 29.97 30.32 1ipe h ARG 171 CO 0.01 0.71 -0.87 0.00 -1.07 0.00 0.00 179.97 178.75 1ipe h LEU 173 N 0.10 0.69 -2.27 0.00 3.38 -1.31 0.23 115.31 116.13 1ipe h LEU 173 Ca -0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ipe h LEU 173 Cb 1.57 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 1ipe h LEU 173 CO 0.17 0.46 0.24 0.00 0.09 0.00 0.00 178.44 179.41 1ipe h ALA 174 N 1.32 1.28 0.00 1.53 0.00 -1.48 0.44 119.26 122.35 1ipe h ALA 174 Ca 0.29 -0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.82 1ipe h ALA 174 Cb 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1ipe h ALA 174 CO -0.13 -0.25 -2.46 1.19 0.00 0.00 0.00 179.25 177.60 1ipe n PHE 175 N -2.98 0.01 0.07 0.00 3.72 0.41 -3.62 117.46 115.07 1ipe n PHE 175 Ca -0.02 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.31 1ipe n PHE 175 Cb 0.30 -1.00 0.06 0.00 -0.94 0.00 0.00 39.48 37.90 1ipe n PHE 175 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1ipe h GLU 176 N 0.00 0.28 -0.02 -1.08 5.08 0.31 -3.31 114.58 115.84 1ipe h GLU 176 Ca -0.57 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.56 1ipe h GLU 176 Cb 1.97 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.27 1ipe h GLU 176 CO -0.06 0.87 -0.29 0.91 -1.00 0.00 0.00 179.01 179.44 1ipe n TRP 177 N -3.81 0.00 -0.25 4.33 8.01 0.15 -4.52 117.44 121.34 1ipe n TRP 177 Ca -0.03 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.21 1ipe n TRP 177 Cb 0.69 0.00 0.18 0.00 -2.01 0.00 0.00 31.31 30.17 1ipe n TRP 177 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ipe h ALA 178 N 4.01 0.98 0.00 6.99 0.00 -1.65 0.48 119.26 130.07 1ipe h ALA 178 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ipe h ALA 178 Cb 0.81 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ipe h ALA 178 CO 0.00 -0.30 -0.08 0.87 0.00 0.00 0.00 179.25 179.74 1ipe h LYS 179 N 0.32 0.00 -0.09 0.00 1.57 -1.83 -0.82 116.57 115.72 1ipe h LYS 179 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1ipe h LYS 179 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1ipe h LYS 179 CO -0.47 0.08 0.00 -0.25 -0.57 0.00 0.00 179.45 178.24 1ipe n ASP 180 N -3.59 0.78 -2.53 0.86 8.00 0.15 -4.89 116.55 115.33 1ipe n ASP 180 Ca -0.02 -1.64 -0.17 0.00 0.71 0.00 0.00 54.79 53.67 1ipe n ASP 180 Cb 0.20 -0.06 0.04 0.00 -0.02 0.00 0.00 41.12 41.29 1ipe n ASP 180 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1ipe n ASN 181 N -0.23 -5.08 -4.47 -2.24 5.15 -0.31 -4.65 115.26 103.42 1ipe n ASN 181 Ca 0.13 -0.31 -0.33 0.00 -0.60 0.00 0.00 54.58 53.47 1ipe n ASN 181 Cb 0.17 -3.80 -0.13 0.00 -0.53 0.00 0.00 39.78 35.50 1ipe n ASN 181 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1ipe s ILE 182 N -3.13 3.24 -0.11 -1.44 1.01 -1.15 -1.82 121.20 117.81 1ipe s ILE 182 Ca 0.33 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 1ipe s ILE 182 Cb -0.15 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 1ipe s ILE 182 CO 0.41 0.57 -0.04 -0.13 0.00 0.00 0.00 174.94 175.75 1ipe s ARG 183 N -0.42 3.22 -0.16 2.79 0.52 -0.40 -4.07 118.95 120.43 1ipe s ARG 183 Ca 0.05 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.76 1ipe s ARG 183 Cb -0.12 -2.78 0.02 0.00 0.52 0.00 0.00 34.95 32.59 1ipe s ARG 183 CO 0.02 0.48 -0.15 0.08 0.02 0.00 0.00 175.30 175.75 1ipe s VAL 184 N -0.29 1.70 0.24 3.52 1.01 -1.26 -0.50 120.40 124.82 1ipe s VAL 184 Ca 0.05 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1ipe s VAL 184 Cb -0.13 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1ipe s VAL 184 CO 0.02 0.44 0.12 0.20 0.00 0.00 0.00 175.10 175.88 1ipe s ASN 185 N 1.43 0.80 0.10 3.32 0.01 -0.37 -0.06 114.94 120.17 1ipe s ASN 185 Ca 0.04 -1.42 0.04 0.00 -0.71 0.00 0.00 52.86 50.82 1ipe s ASN 185 Cb -0.13 0.29 -0.03 0.00 0.41 0.00 0.00 41.25 41.79 1ipe s ASN 185 CO -0.11 -0.81 -0.11 -0.83 -1.51 0.00 0.00 177.10 173.73 1ipe s GLY 186 N -3.26 0.88 -0.16 0.66 0.00 0.40 -0.82 107.32 105.02 1ipe s GLY 186 Ca 0.38 -1.17 -0.02 0.00 0.00 0.00 0.00 44.72 43.92 1ipe s GLY 186 CO 0.14 -1.23 0.00 0.14 0.00 0.00 0.00 173.10 172.15 1ipe s VAL 187 N -2.19 0.69 -0.52 1.40 1.01 -0.54 -1.59 120.40 118.66 1ipe s VAL 187 Ca 0.05 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.37 1ipe s VAL 187 Cb -0.04 -1.03 0.06 0.00 0.00 0.00 0.00 36.38 35.37 1ipe s VAL 187 CO 0.01 -0.02 0.65 -0.83 0.00 0.00 0.00 175.10 174.91 1ipe s GLY 188 N 1.80 1.75 0.79 4.51 0.00 0.19 -1.45 107.32 114.92 1ipe s GLY 188 Ca 0.00 -1.75 -0.11 0.00 0.00 0.00 0.00 44.72 42.86 1ipe s GLY 188 CO -0.07 1.52 1.12 -4.14 0.00 0.00 0.00 173.10 171.53 1ipe s PRO 189 N 2.72 1.99 0.00 2.90 0.02 -1.26 -2.42 135.00 138.96 1ipe s PRO 189 Ca 0.16 1.34 0.00 0.00 0.02 0.00 0.00 61.00 62.52 1ipe s PRO 189 Cb -0.19 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1ipe s PRO 189 CO 0.12 -1.87 0.00 0.41 -0.33 0.00 0.00 177.00 175.33 1ipe n GLY 190 N -0.63 0.34 3.08 0.52 0.00 -1.04 -2.25 105.19 105.21 1ipe n GLY 190 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1ipe n GLY 190 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ipe s VAL 191 N 1.23 2.31 -0.11 1.61 1.01 -1.26 -4.78 120.40 120.42 1ipe s VAL 191 Ca 0.00 -1.71 -0.01 0.00 0.00 0.00 0.00 61.98 60.26 1ipe s VAL 191 Cb 0.00 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1ipe s VAL 191 CO 0.00 -0.13 -0.08 -0.63 0.00 0.00 0.00 175.10 174.26 1ipe s ILE 192 N 1.09 3.57 -0.94 2.22 -1.09 -1.26 -1.08 121.20 123.72 1ipe s ILE 192 Ca -0.05 -0.50 -0.24 0.00 -2.23 0.00 0.00 60.65 57.63 1ipe s ILE 192 Cb -0.20 -2.50 -0.05 0.00 -1.58 0.00 0.00 42.46 38.13 1ipe s ILE 192 CO -0.05 0.55 1.92 0.00 -1.23 0.00 0.00 174.94 176.13 1ipe s ALA 193 N -0.17 1.74 0.41 9.38 0.00 -0.69 -4.68 121.76 127.74 1ipe s ALA 193 Ca 0.02 -1.61 0.03 0.00 0.00 0.00 0.00 51.96 50.40 1ipe s ALA 193 Cb -0.13 -4.57 -0.04 0.00 0.00 0.00 0.00 23.12 18.39 1ipe s ALA 193 CO 0.03 -4.79 0.08 0.95 0.00 0.00 0.00 175.76 172.03 1ipe s THR 194 N 9.88 0.95 0.45 0.00 -4.23 -1.26 -4.56 115.64 116.88 1ipe s THR 194 Ca 0.69 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.53 1ipe s THR 194 Cb -0.06 -2.47 0.36 0.00 1.34 0.00 0.00 72.50 71.67 1ipe s THR 194 CO 0.00 0.00 2.16 0.77 -0.54 0.00 0.00 174.62 177.01 1ipe h SER 195 N 1.78 0.00 0.18 3.99 4.64 -1.94 0.22 113.55 122.42 1ipe h SER 195 Ca -0.39 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.80 1ipe h SER 195 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1ipe h SER 195 CO 0.65 0.06 -0.49 0.25 -0.87 0.00 0.00 176.83 176.43 1ipe h LEU 196 N 0.00 0.39 0.09 5.97 6.46 -1.95 -2.92 115.31 123.35 1ipe h LEU 196 Ca -0.00 -0.19 -0.26 0.00 -0.12 0.00 0.00 57.88 57.30 1ipe h LEU 196 Cb 0.23 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1ipe h LEU 196 CO 0.01 0.82 -1.24 0.58 -0.62 0.00 0.00 178.44 177.99 1ipe h VAL 197 N 0.29 1.48 -0.61 1.05 2.07 -1.26 -2.95 116.25 116.32 1ipe h VAL 197 Ca 0.01 -3.11 -0.04 0.00 0.82 0.00 0.00 66.70 64.39 1ipe h VAL 197 Cb 0.97 2.87 -0.03 0.00 -1.52 0.00 0.00 31.29 33.58 1ipe h VAL 197 CO 0.08 0.89 0.24 -0.33 0.02 0.00 0.00 177.57 178.47 1ipe h GLU 198 N 0.05 0.92 -0.10 1.57 4.39 -1.36 -1.37 114.58 118.68 1ipe h GLU 198 Ca -0.12 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1ipe h GLU 198 Cb 1.93 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.42 1ipe h GLU 198 CO 0.17 0.79 0.07 1.98 -1.16 0.00 0.00 179.01 180.86 1ipe h MET 199 N 0.86 0.13 0.57 2.33 4.05 -1.60 -3.21 114.93 118.06 1ipe h MET 199 Ca 0.20 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.59 1ipe h MET 199 Cb 0.22 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1ipe h MET 199 CO -0.02 0.09 -0.33 1.15 0.23 0.00 0.00 176.91 178.03 1ipe h THR 200 N 0.14 0.32 0.00 -0.77 2.02 -1.29 -2.82 112.91 110.51 1ipe h THR 200 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1ipe h THR 200 Cb -0.02 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1ipe h THR 200 CO -0.01 0.00 0.00 2.30 0.37 0.00 0.00 175.52 178.18 1ipe n ILE 201 N -5.47 0.00 0.06 3.11 -5.35 -0.55 -2.03 119.36 109.13 1ipe n ILE 201 Ca -0.12 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.22 1ipe n ILE 201 Cb 0.36 -0.30 -0.14 0.00 -1.74 0.00 0.00 39.64 37.83 1ipe n ILE 201 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1ipe h GLN 202 N 0.24 0.16 -5.68 6.28 4.20 -1.53 -3.42 115.11 115.36 1ipe h GLN 202 Ca 0.00 -0.28 -0.60 0.00 0.06 0.00 0.00 58.65 57.83 1ipe h GLN 202 Cb 0.04 0.10 -0.10 0.00 0.30 0.00 0.00 27.48 27.82 1ipe h GLN 202 CO 0.00 1.03 0.33 0.34 -0.67 0.00 0.00 178.83 179.86 1ipe s ASP 203 N -6.83 6.69 0.34 1.46 2.15 -0.86 -4.97 116.67 114.65 1ipe s ASP 203 Ca -0.05 0.81 0.13 0.00 0.43 0.00 0.00 52.55 53.86 1ipe s ASP 203 Cb 0.08 -2.39 1.08 0.00 -0.30 0.00 0.00 42.92 41.39 1ipe s ASP 203 CO 0.85 -0.49 1.54 -0.81 -0.17 0.00 0.00 175.17 176.09 1ipe n PRO 204 N 5.95 -0.07 0.01 4.34 -0.04 -1.26 -0.38 135.00 143.55 1ipe n PRO 204 Ca 0.03 1.40 -0.16 0.00 -0.04 0.00 0.00 63.50 64.72 1ipe n PRO 204 Cb 0.48 -2.38 -0.06 0.00 -0.04 0.00 0.00 33.50 31.50 1ipe n PRO 204 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ipe h GLU 205 N 0.00 0.68 -0.06 0.54 4.81 -1.95 -2.19 114.58 116.42 1ipe h GLU 205 Ca 0.73 -0.60 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 1ipe h GLU 205 Cb 1.79 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 31.29 1ipe h GLU 205 CO -0.82 1.21 -0.55 1.96 -0.73 0.00 0.00 179.01 180.08 1ipe h GLN 206 N 0.45 0.18 -0.22 1.92 1.08 -1.14 -1.06 115.11 116.31 1ipe h GLN 206 Ca -0.06 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 56.95 1ipe h GLN 206 Cb 1.45 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.88 1ipe h GLN 206 CO 0.16 0.68 -0.19 -0.22 -0.95 0.00 0.00 178.83 178.32 1ipe h LYS 207 N 0.14 0.38 -0.22 1.46 3.64 -0.63 -0.94 116.57 120.40 1ipe h LYS 207 Ca -0.00 -0.12 -0.18 0.00 -1.27 0.00 0.00 60.65 59.08 1ipe h LYS 207 Cb 1.01 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1ipe h LYS 207 CO 0.08 0.56 -0.58 1.49 -2.27 0.00 0.00 179.45 178.74 1ipe h GLU 208 N 0.35 0.78 -0.15 1.90 4.81 -0.88 -2.74 114.58 118.65 1ipe h GLU 208 Ca 0.06 -0.54 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1ipe h GLU 208 Cb 0.54 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1ipe h GLU 208 CO 0.04 1.17 0.04 -0.91 -0.73 0.00 0.00 179.01 178.61 1ipe h ASN 209 N 0.52 0.22 -0.65 1.04 2.35 -0.74 -2.51 115.58 115.81 1ipe h ASN 209 Ca -0.01 -0.22 0.06 0.00 -0.55 0.00 0.00 56.30 55.58 1ipe h ASN 209 Cb 1.19 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 39.45 1ipe h ASN 209 CO 0.12 0.39 0.35 0.25 -1.65 0.00 0.00 177.43 176.89 1ipe h LEU 210 N 0.05 0.50 -2.34 1.61 5.85 -1.23 0.14 115.31 119.89 1ipe h LEU 210 Ca 0.05 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1ipe h LEU 210 Cb 0.25 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1ipe h LEU 210 CO -0.00 0.32 0.05 0.78 -0.34 0.00 0.00 178.44 179.25 1ipe h ASN 211 N 0.64 0.00 -0.15 1.25 2.35 -1.32 -0.06 115.58 118.29 1ipe h ASN 211 Ca 0.30 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.98 1ipe h ASN 211 Cb 0.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1ipe h ASN 211 CO -0.20 0.00 -0.17 0.11 -1.65 0.00 0.00 177.43 175.53 1ipe h LYS 212 N 0.00 0.38 0.76 0.81 1.57 -0.30 -1.93 116.57 117.86 1ipe h LYS 212 Ca 0.02 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1ipe h LYS 212 Cb 0.11 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1ipe h LYS 212 CO -0.00 0.77 -0.45 -0.07 -0.57 0.00 0.00 179.45 179.13 1ipe h LEU 213 N 0.00 -1.12 -1.36 2.94 3.38 -0.53 -2.13 115.31 116.50 1ipe h LEU 213 Ca 0.02 0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.26 1ipe h LEU 213 Cb 0.71 0.32 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 1ipe h LEU 213 CO 0.04 -0.70 0.62 0.40 0.09 0.00 0.00 178.44 178.89 1ipe h ILE 214 N -1.12 0.66 0.00 1.22 2.04 -1.27 0.92 117.51 119.96 1ipe h ILE 214 Ca -0.10 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1ipe h ILE 214 Cb 0.89 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1ipe h ILE 214 CO 0.12 0.09 0.00 -0.67 0.00 0.00 0.00 178.15 177.69 1ipe n ASP 215 N -4.59 0.52 -1.29 1.72 2.03 -0.72 -3.04 116.55 111.18 1ipe n ASP 215 Ca 0.22 0.62 0.11 0.00 0.52 0.00 0.00 54.79 56.25 1ipe n ASP 215 Cb 0.70 -0.73 0.31 0.00 -0.72 0.00 0.00 41.12 40.68 1ipe n ASP 215 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ipe n ARG 216 N -2.07 2.77 -4.20 -0.67 1.74 0.32 -4.94 116.66 109.61 1ipe n ARG 216 Ca 0.03 -2.61 -0.29 0.00 -0.77 0.00 0.00 57.85 54.20 1ipe n ARG 216 Cb 0.24 -1.55 -0.09 0.00 -1.02 0.00 0.00 32.46 30.04 1ipe n ARG 216 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ipe h ALA 218 N 3.43 0.75 0.00 0.00 0.00 -1.02 -0.50 119.26 121.91 1ipe h ALA 218 Ca -0.48 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ipe h ALA 218 Cb 1.17 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ipe h ALA 218 CO 0.55 -0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.76 1ipe n LEU 219 N -5.14 0.00 -4.11 0.00 4.77 -1.10 -4.94 117.00 106.48 1ipe n LEU 219 Ca 0.10 0.34 -0.41 0.00 -0.03 0.00 0.00 56.01 56.01 1ipe n LEU 219 Cb 0.35 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1ipe n LEU 219 CO 0.16 -0.06 -0.23 0.54 -1.33 0.00 0.00 177.39 176.47 1ipe n ARG 220 N -1.34 -0.42 -3.57 3.23 1.74 -0.20 -4.93 116.66 111.17 1ipe n ARG 220 Ca 0.10 0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 57.13 1ipe n ARG 220 Cb 0.22 -2.51 -0.04 0.00 -1.02 0.00 0.00 32.46 29.11 1ipe n ARG 220 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1ipe s ARG 221 N -7.31 0.54 0.43 5.56 1.70 -1.25 -4.93 118.95 113.69 1ipe s ARG 221 Ca 0.35 0.02 -0.24 0.00 -0.47 0.00 0.00 55.73 55.39 1ipe s ARG 221 Cb -0.19 0.25 -0.08 0.00 -0.57 0.00 0.00 34.95 34.36 1ipe s ARG 221 CO 0.92 -0.19 1.14 -1.64 -1.08 0.00 0.00 175.30 174.45 1ipe s MET 222 N -1.60 3.94 0.83 3.89 -1.94 -1.26 -4.94 119.30 118.22 1ipe s MET 222 Ca 0.02 1.73 -0.12 0.00 -1.71 0.00 0.00 55.69 55.61 1ipe s MET 222 Cb -0.01 -2.51 0.09 0.00 2.01 0.00 0.00 34.83 34.41 1ipe s MET 222 CO -0.02 -0.39 1.16 0.20 -0.01 0.00 0.00 175.02 175.96 1ipe s GLY 223 N -1.35 1.59 0.15 -0.03 0.00 -0.24 -4.82 107.32 102.63 1ipe s GLY 223 Ca 0.60 -0.57 0.06 0.00 0.00 0.00 0.00 44.72 44.82 1ipe s GLY 223 CO 0.34 -0.07 0.02 -0.54 0.00 0.00 0.00 173.10 172.85 1ipe s GLU 224 N -5.46 2.52 0.38 2.90 2.02 -1.26 -1.71 118.70 118.09 1ipe s GLU 224 Ca 0.62 -1.01 0.13 0.00 0.02 0.00 0.00 54.97 54.73 1ipe s GLU 224 Cb -0.12 -2.45 0.95 0.00 0.10 0.00 0.00 34.13 32.61 1ipe s GLU 224 CO 0.51 0.48 1.83 -1.35 0.02 0.00 0.00 175.26 176.75 1ipe h PRO 225 N 2.80 0.53 0.00 0.39 0.11 -1.90 0.44 132.00 134.37 1ipe h PRO 225 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ipe h PRO 225 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ipe h PRO 225 CO 0.59 0.35 0.00 0.36 -0.21 0.00 0.00 178.00 179.10 1ipe n LYS 226 N -4.59 0.11 0.00 1.05 2.85 -1.26 -1.74 118.16 114.58 1ipe n LYS 226 Ca 0.20 0.13 -0.11 0.00 -1.05 0.00 0.00 58.31 57.48 1ipe n LYS 226 Cb 0.64 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.38 1ipe n LYS 226 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1ipe h GLU 227 N 0.00 0.07 0.18 -1.58 5.08 -0.52 -3.16 114.58 114.65 1ipe h GLU 227 Ca 0.00 -0.12 -0.30 0.00 -1.00 0.00 0.00 59.36 57.94 1ipe h GLU 227 Cb 0.30 0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.61 1ipe h GLU 227 CO 0.00 0.74 -1.33 1.25 -1.00 0.00 0.00 179.01 178.67 1ipe h LEU 228 N 0.02 0.63 -1.09 1.33 7.12 -1.27 -3.32 115.31 118.72 1ipe h LEU 228 Ca -0.27 -0.66 -0.06 0.00 0.13 0.00 0.00 57.88 57.03 1ipe h LEU 228 Cb 1.99 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 41.89 1ipe h LEU 228 CO 0.10 1.51 0.04 0.00 -0.13 0.00 0.00 178.44 179.96 1ipe h ALA 229 N 0.40 1.26 0.00 1.25 0.00 -1.47 -2.79 119.26 117.90 1ipe h ALA 229 Ca -0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ipe h ALA 229 Cb 2.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1ipe h ALA 229 CO 0.23 0.50 -0.01 0.00 0.00 0.00 0.00 179.25 179.98 1ipe h ALA 230 N 1.40 1.58 0.02 0.00 0.00 -1.64 -1.25 119.26 119.36 1ipe h ALA 230 Ca 0.14 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.78 1ipe h ALA 230 Cb 0.35 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1ipe h ALA 230 CO 0.01 0.01 -1.42 1.98 0.00 0.00 0.00 179.25 179.82 1ipe h MET 231 N 0.00 0.04 -0.22 0.00 1.85 -1.65 -3.00 114.93 111.95 1ipe h MET 231 Ca -0.00 -0.07 -0.04 0.00 -0.61 0.00 0.00 59.70 58.98 1ipe h MET 231 Cb 0.02 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.07 1ipe h MET 231 CO 0.00 0.79 -0.01 0.28 -0.40 0.00 0.00 176.91 177.57 1ipe h VAL 232 N 0.01 1.26 -0.78 -5.77 2.07 -1.29 -2.97 116.25 108.78 1ipe h VAL 232 Ca -0.18 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 1ipe h VAL 232 Cb 1.92 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 33.08 1ipe h VAL 232 CO 0.11 0.28 0.37 0.00 0.02 0.00 0.00 177.57 178.35 1ipe h ALA 233 N 0.79 1.18 -0.29 1.67 0.00 -1.37 -3.03 119.26 118.21 1ipe h ALA 233 Ca 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ipe h ALA 233 Cb 0.42 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ipe h ALA 233 CO 0.01 0.62 0.18 0.35 0.00 0.00 0.00 179.25 180.41 1ipe h PHE 234 N 1.11 0.38 0.00 0.00 3.57 -1.45 -2.10 116.94 118.45 1ipe h PHE 234 Ca 0.27 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1ipe h PHE 234 Cb 0.12 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1ipe h PHE 234 CO 0.01 0.28 0.00 -0.07 -2.23 0.00 0.00 178.31 176.30 1ipe h LEU 235 N 0.37 0.00 0.00 0.59 3.38 -1.41 0.92 115.31 119.16 1ipe h LEU 235 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ipe h LEU 235 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ipe h LEU 235 CO -0.02 0.00 -1.05 0.00 0.09 0.00 0.00 178.44 177.46 1ipe s PHE 237 N -3.25 2.49 -0.28 0.00 0.08 0.32 -4.86 117.98 112.47 1ipe s PHE 237 Ca 0.02 1.47 0.25 0.00 0.12 0.00 0.00 56.93 58.79 1ipe s PHE 237 Cb 0.13 -3.57 1.15 0.00 -0.57 0.00 0.00 43.02 40.16 1ipe s PHE 237 CO 0.80 -2.27 1.75 -1.35 -0.10 0.00 0.00 175.22 174.05 1ipe h PRO 238 N 1.43 0.00 0.00 0.24 0.11 -1.78 -1.64 132.00 130.36 1ipe h PRO 238 Ca -0.50 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1ipe h PRO 238 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1ipe h PRO 238 CO 0.57 0.00 -0.25 0.00 -0.21 0.00 0.00 178.00 178.12 1ipe h ALA 239 N 2.15 1.39 -1.00 -0.75 0.00 -1.80 -2.67 119.26 116.59 1ipe h ALA 239 Ca 0.00 -0.22 -0.69 0.00 0.00 0.00 0.00 54.91 53.99 1ipe h ALA 239 Cb 0.25 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 17.71 1ipe h ALA 239 CO 0.00 0.31 0.86 0.00 0.00 0.00 0.00 179.25 180.41 1ipe n ALA 240 N -2.40 6.34 0.40 0.00 0.00 -0.61 -4.65 120.51 119.59 1ipe n ALA 240 Ca -0.02 -3.61 0.10 0.00 0.00 0.00 0.00 53.44 49.91 1ipe n ALA 240 Cb 0.32 -1.77 0.44 0.00 0.00 0.00 0.00 19.45 18.44 1ipe n ALA 240 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ipe n SER 241 N -0.84 0.47 -0.76 0.00 3.41 -1.01 -2.52 113.62 112.38 1ipe n SER 241 Ca 0.61 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.94 1ipe n SER 241 Cb 0.59 -0.72 0.07 0.00 -0.26 0.00 0.00 64.21 63.89 1ipe n SER 241 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ipe n TYR 242 N -2.03 0.00 -3.36 7.33 9.36 -1.26 -4.90 117.16 122.30 1ipe n TYR 242 Ca 0.02 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.82 1ipe n TYR 242 Cb 0.20 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 38.82 1ipe n TYR 242 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1ipe s VAL 243 N -1.72 5.13 -0.09 2.97 1.01 -1.05 -5.04 120.40 121.62 1ipe s VAL 243 Ca 0.22 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 1ipe s VAL 243 Cb 0.17 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1ipe s VAL 243 CO 0.28 -0.32 0.30 0.28 0.00 0.00 0.00 175.10 175.63 1ipe s THR 244 N 2.05 0.02 -0.57 3.92 -1.32 -1.26 -4.75 115.64 113.72 1ipe s THR 244 Ca 0.11 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 1ipe s THR 244 Cb -0.17 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 1ipe s THR 244 CO 0.13 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 1ipe n GLY 245 N 2.49 0.53 3.70 6.08 0.00 0.91 -4.96 105.19 113.94 1ipe n GLY 245 Ca -0.15 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 1ipe n GLY 245 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ipe s GLN 246 N -3.26 2.58 -0.29 1.61 -1.52 -1.25 -4.66 119.66 112.87 1ipe s GLN 246 Ca 0.00 -0.89 0.01 0.00 -1.95 0.00 0.00 55.36 52.53 1ipe s GLN 246 Cb 0.00 -2.52 0.06 0.00 -0.22 0.00 0.00 33.01 30.33 1ipe s GLN 246 CO 0.00 0.52 -0.04 0.42 -0.25 0.00 0.00 175.29 175.93 1ipe s ILE 247 N -1.47 2.55 -0.14 1.08 -1.09 -1.26 -0.45 121.20 120.42 1ipe s ILE 247 Ca 0.27 -1.59 -0.03 0.00 -2.23 0.00 0.00 60.65 57.07 1ipe s ILE 247 Cb -0.11 -2.52 -0.03 0.00 -1.58 0.00 0.00 42.46 38.22 1ipe s ILE 247 CO 0.19 -0.12 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.11 1ipe s ILE 248 N 1.15 3.83 -0.19 2.92 1.01 -0.62 -4.92 121.20 124.39 1ipe s ILE 248 Ca -0.06 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 1ipe s ILE 248 Cb -0.20 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 1ipe s ILE 248 CO -0.04 0.51 0.19 -0.31 0.00 0.00 0.00 174.94 175.29 1ipe s TYR 249 N 0.23 3.41 -0.81 3.97 1.51 -1.26 -0.64 117.35 123.77 1ipe s TYR 249 Ca -0.03 0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 56.40 1ipe s TYR 249 Cb -0.14 -2.23 0.20 0.00 -0.11 0.00 0.00 41.96 39.68 1ipe s TYR 249 CO 0.03 0.24 0.67 0.08 -1.11 0.00 0.00 175.55 175.47 1ipe s VAL 250 N 0.49 4.23 -0.05 0.71 1.01 -1.01 -4.87 120.40 120.91 1ipe s VAL 250 Ca 0.11 -3.50 0.14 0.00 0.00 0.00 0.00 61.98 58.72 1ipe s VAL 250 Cb -0.12 -3.66 0.25 0.00 0.00 0.00 0.00 36.38 32.85 1ipe s VAL 250 CO 0.00 -1.02 1.11 -0.90 0.00 0.00 0.00 175.10 174.30 1ipe n ASP 251 N 2.79 0.91 -1.98 3.32 5.68 -1.26 -2.48 116.55 123.53 1ipe n ASP 251 Ca 0.17 -2.40 -0.16 0.00 -0.50 0.00 0.00 54.79 51.89 1ipe n ASP 251 Cb 0.38 -0.31 -0.04 0.00 -1.14 0.00 0.00 41.12 40.01 1ipe n ASP 251 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ipe n GLY 252 N -0.15 0.46 1.06 6.12 0.00 -1.26 -1.43 105.19 109.99 1ipe n GLY 252 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ipe n GLY 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ipe n GLY 253 N -0.62 0.73 0.38 -0.02 0.00 -1.26 -0.48 105.19 103.91 1ipe n GLY 253 Ca -0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.99 1ipe n GLY 253 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ipe h LEU 254 N 0.00 0.57 -0.35 0.99 5.85 -1.47 -1.42 115.31 119.48 1ipe h LEU 254 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1ipe h LEU 254 Cb 0.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1ipe h LEU 254 CO 0.00 0.26 0.00 0.23 -0.34 0.00 0.00 178.44 178.59 1ipe n MET 255 N -4.55 1.24 -0.00 1.25 2.81 -1.26 -3.57 117.12 113.03 1ipe n MET 255 Ca 0.18 -0.35 0.07 0.00 -1.81 0.00 0.00 57.70 55.79 1ipe n MET 255 Cb 0.55 -1.49 -0.09 0.00 -0.71 0.00 0.00 33.22 31.48 1ipe n MET 255 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ipe n ALA 256 N -0.57 3.11 -1.82 3.04 0.00 -0.54 -5.02 120.51 118.70 1ipe n ALA 256 Ca 0.22 -0.35 -0.33 0.00 0.00 0.00 0.00 53.44 52.99 1ipe n ALA 256 Cb 0.20 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.12 1ipe n ALA 256 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ipe s ASN 257 N -2.91 6.75 0.25 0.00 2.47 -1.17 -4.97 114.94 115.36 1ipe s ASN 257 Ca -0.00 1.66 0.00 0.00 0.42 0.00 0.00 52.86 54.94 1ipe s ASN 257 Cb 0.09 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.37 1ipe s ASN 257 CO 0.55 -0.49 0.00 0.00 -3.72 0.00 0.00 177.10 173.44 1ipe n GLY 259 N 1.23 4.37 0.86 0.00 0.00 -1.26 -5.22 105.19 105.16 1ipe n GLY 259 Ca 0.00 -1.09 0.11 0.00 0.00 0.00 0.00 46.02 45.04 1ipe n GLY 259 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01