#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 1.67 0.27 0.00 0.00 -1.22 -4.97 107.32 103.07 1ipe s GLY 3 Ca 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 44.72 43.84 1ipe s GLY 3 CO 0.00 -0.45 1.79 -0.09 0.00 0.00 0.00 173.10 174.35 1ipe h ARG 4 N -0.72 0.73 -0.36 2.90 9.65 -2.00 -2.92 114.38 121.66 1ipe h ARG 4 Ca -0.45 -0.04 -0.22 0.00 -1.10 0.00 0.00 59.98 58.17 1ipe h ARG 4 Cb 1.32 -0.16 -0.14 0.00 -1.39 0.00 0.00 29.97 29.59 1ipe h ARG 4 CO 0.61 0.48 -0.25 0.91 2.80 0.00 0.00 179.97 184.52 1ipe n TRP 5 N -4.78 1.17 -3.53 2.20 7.02 -1.26 -2.62 117.44 115.64 1ipe n TRP 5 Ca 0.17 -1.75 -0.11 0.00 -1.02 0.00 0.00 57.50 54.79 1ipe n TRP 5 Cb 0.40 -0.46 -0.03 0.00 -2.42 0.00 0.00 31.31 28.80 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 -2.85 -0.43 -0.33 -0.99 2.20 -1.10 -5.04 114.94 106.40 1ipe s ASN 6 Ca 0.45 -0.17 0.08 0.00 -0.94 0.00 0.00 52.86 52.28 1ipe s ASN 6 Cb 0.40 0.57 0.59 0.00 -2.00 0.00 0.00 41.25 40.81 1ipe s ASN 6 CO -0.02 -0.96 1.64 0.18 -2.94 0.00 0.00 177.10 175.01 1ipe n LEU 7 N -0.33 5.14 -4.57 3.54 4.77 -0.68 -3.40 117.00 121.47 1ipe n LEU 7 Ca -0.15 -3.58 -0.52 0.00 -0.03 0.00 0.00 56.01 51.73 1ipe n LEU 7 Cb 0.64 -0.70 -0.07 0.00 -2.33 0.00 0.00 43.42 40.96 1ipe n LEU 7 CO 0.14 1.08 1.61 -0.62 -1.33 0.00 0.00 177.39 178.27 1ipe n GLU 8 N -0.94 1.36 -0.28 3.23 -0.58 -1.03 -0.85 120.64 121.55 1ipe n GLU 8 Ca 0.41 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.59 1ipe n GLU 8 Cb 1.26 -2.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 1ipe n GLU 8 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ipe n GLY 9 N 5.44 0.84 3.84 0.62 0.00 -1.01 -3.22 105.19 111.70 1ipe n GLY 9 Ca 0.33 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.72 5.36 0.07 0.00 -4.23 -1.26 -0.85 115.64 113.00 1ipe s THR 11 Ca 0.47 0.39 0.03 0.00 -1.18 0.00 0.00 61.69 61.40 1ipe s THR 11 Cb -0.13 -3.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.16 1ipe s THR 11 CO 0.19 0.53 -0.10 0.00 -0.54 0.00 0.00 174.62 174.70 1ipe s ALA 12 N -0.46 0.89 -0.16 3.99 0.00 0.51 -1.63 121.76 124.90 1ipe s ALA 12 Ca 0.16 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 1ipe s ALA 12 Cb -0.13 0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.05 1ipe s ALA 12 CO 0.05 0.00 -0.03 -1.17 0.00 0.00 0.00 175.76 174.61 1ipe s LEU 13 N -1.96 1.46 -0.23 0.00 2.96 -0.14 -1.43 118.68 119.35 1ipe s LEU 13 Ca -0.02 -0.66 -0.02 0.00 -0.22 0.00 0.00 54.13 53.21 1ipe s LEU 13 Cb -0.07 -0.80 0.01 0.00 0.50 0.00 0.00 46.19 45.83 1ipe s LEU 13 CO 0.00 -0.21 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.04 1ipe s VAL 14 N 1.71 2.85 0.31 1.68 1.01 0.37 -0.96 120.40 127.37 1ipe s VAL 14 Ca 0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 1ipe s VAL 14 Cb -0.15 -2.36 -0.10 0.00 0.00 0.00 0.00 36.38 33.77 1ipe s VAL 14 CO -0.07 0.33 0.94 0.42 0.00 0.00 0.00 175.10 176.72 1ipe s THR 15 N 1.36 4.20 -1.03 3.92 -4.23 -1.02 -3.37 115.64 115.48 1ipe s THR 15 Ca 0.03 1.84 -0.05 0.00 -1.18 0.00 0.00 61.69 62.33 1ipe s THR 15 Cb -0.15 -4.04 -0.05 0.00 1.34 0.00 0.00 72.50 69.59 1ipe s THR 15 CO -0.06 0.19 0.89 0.61 -0.54 0.00 0.00 174.62 175.71 1ipe n GLY 16 N 0.67 -0.92 1.34 3.99 0.00 -0.25 -3.03 105.19 107.00 1ipe n GLY 16 Ca 0.01 0.45 0.09 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.22 2.80 0.24 -0.02 0.00 -1.06 -4.14 105.19 101.80 1ipe n GLY 17 Ca -0.11 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 3.66 0.00 -5.02 1.61 4.64 -1.90 -3.30 113.55 113.24 1ipe h SER 18 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1ipe h SER 18 Cb 1.24 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.24 1ipe h SER 18 CO 0.14 0.04 0.34 0.00 -0.87 0.00 0.00 176.83 176.49 1ipe s ARG 19 N -3.41 1.33 5.60 4.77 1.70 -1.26 -4.89 118.95 122.79 1ipe s ARG 19 Ca 0.04 -0.65 0.00 0.00 -0.47 0.00 0.00 55.73 54.65 1ipe s ARG 19 Cb 0.07 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 34.96 1ipe s ARG 19 CO 0.62 -0.60 0.00 0.41 -1.08 0.00 0.00 175.30 174.65 1ipe n GLY 20 N -0.41 1.71 0.29 3.88 0.00 -1.26 -3.32 105.19 106.09 1ipe n GLY 20 Ca -0.09 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 1.26 -0.66 -0.61 2.04 -1.91 -2.34 117.51 115.28 1ipe h ILE 21 Ca 0.00 -1.06 0.06 0.00 1.00 0.00 0.00 64.86 64.87 1ipe h ILE 21 Cb 0.00 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 1ipe h ILE 21 CO 0.00 0.39 0.36 1.23 0.00 0.00 0.00 178.15 180.12 1ipe h GLY 22 N 0.90 0.97 1.87 5.37 0.00 -1.71 0.17 103.07 110.64 1ipe h GLY 22 Ca 0.17 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1ipe h GLY 22 CO 0.02 0.13 -0.17 -1.82 0.00 0.00 0.00 176.54 174.70 1ipe h TYR 23 N 0.65 0.16 0.05 5.60 5.03 -1.48 -1.52 116.97 125.45 1ipe h TYR 23 Ca 0.30 -0.02 -0.23 0.00 2.58 0.00 0.00 58.73 61.37 1ipe h TYR 23 Cb 0.22 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.44 1ipe h TYR 23 CO -0.09 0.33 -1.03 0.78 -1.32 0.00 0.00 178.16 176.83 1ipe h GLY 24 N 0.73 0.21 1.46 1.82 0.00 -0.66 -2.87 103.07 103.76 1ipe h GLY 24 Ca 0.03 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 1ipe h GLY 24 CO 0.03 0.39 -0.45 -2.22 0.00 0.00 0.00 176.54 174.29 1ipe h ILE 25 N 0.07 1.30 -0.31 2.60 2.04 -0.31 -0.69 117.51 122.22 1ipe h ILE 25 Ca -0.07 -1.64 -0.15 0.00 1.00 0.00 0.00 64.86 64.00 1ipe h ILE 25 Cb 1.73 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 39.41 1ipe h ILE 25 CO 0.16 0.52 -0.42 0.58 0.00 0.00 0.00 178.15 178.98 1ipe h VAL 26 N 0.47 1.28 -0.07 1.67 2.07 -1.33 -2.06 116.25 118.29 1ipe h VAL 26 Ca 0.03 -1.60 -0.20 0.00 0.82 0.00 0.00 66.70 65.75 1ipe h VAL 26 Cb 0.97 1.49 0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1ipe h VAL 26 CO 0.09 0.52 -0.74 -0.33 0.02 0.00 0.00 177.57 177.13 1ipe h GLU 27 N 0.63 0.62 0.03 1.57 5.08 -1.42 -2.08 114.58 119.01 1ipe h GLU 27 Ca 0.05 -0.58 -0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1ipe h GLU 27 Cb 0.98 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ipe h GLU 27 CO 0.09 1.19 -0.01 1.49 -1.00 0.00 0.00 179.01 180.77 1ipe h GLU 28 N 0.25 -0.03 -0.62 2.33 4.57 -1.15 -1.20 114.58 118.73 1ipe h GLU 28 Ca -0.07 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.05 1ipe h GLU 28 Cb 1.40 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.97 1ipe h GLU 28 CO 0.15 0.11 0.16 -0.07 -1.18 0.00 0.00 179.01 178.18 1ipe h LEU 29 N -0.17 0.89 -0.60 1.64 3.38 -1.46 -2.86 115.31 116.14 1ipe h LEU 29 Ca -0.00 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 1ipe h LEU 29 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ipe h LEU 29 CO 0.01 0.86 -0.36 0.00 0.09 0.00 0.00 178.44 179.03 1ipe h ALA 30 N 1.26 0.78 0.00 1.53 0.00 -1.27 -1.83 119.26 119.73 1ipe h ALA 30 Ca 0.20 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ipe h ALA 30 Cb 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ipe h ALA 30 CO -0.00 0.65 0.00 -1.13 0.00 0.00 0.00 179.25 178.77 1ipe n SER 31 N -4.05 0.00 -0.93 0.00 3.41 -0.46 -2.67 113.62 108.92 1ipe n SER 31 Ca -0.01 0.41 0.10 0.00 -0.26 0.00 0.00 58.87 59.11 1ipe n SER 31 Cb 0.51 -0.46 0.15 0.00 -0.26 0.00 0.00 64.21 64.15 1ipe n SER 31 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ipe n LEU 32 N -1.46 3.02 0.00 1.04 4.77 -1.07 -4.94 117.00 118.36 1ipe n LEU 32 Ca 0.06 -1.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 1ipe n LEU 32 Cb 0.21 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1ipe n LEU 32 CO 0.17 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1ipe n GLY 33 N 1.21 2.14 3.77 -0.72 0.00 -1.09 -1.69 105.19 108.81 1ipe n GLY 33 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.02 2.95 -0.23 4.61 0.00 -0.71 -2.41 121.76 123.95 1ipe s ALA 34 Ca 0.00 0.99 -0.13 0.00 0.00 0.00 0.00 51.96 52.82 1ipe s ALA 34 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1ipe s ALA 34 CO 0.00 -0.75 0.27 0.45 0.00 0.00 0.00 175.76 175.73 1ipe s SER 35 N -1.31 6.25 0.20 0.00 0.15 -0.03 -4.20 113.70 114.77 1ipe s SER 35 Ca 0.65 0.28 0.10 0.00 0.70 0.00 0.00 55.95 57.68 1ipe s SER 35 Cb -0.30 -2.16 -0.04 0.00 -1.71 0.00 0.00 66.02 61.80 1ipe s SER 35 CO 0.36 -0.01 -0.14 -0.69 1.20 0.00 0.00 173.24 173.97 1ipe s VAL 36 N 1.23 2.92 -0.04 4.45 1.01 -0.68 -0.36 120.40 128.93 1ipe s VAL 36 Ca 0.13 -1.86 0.01 0.00 0.00 0.00 0.00 61.98 60.26 1ipe s VAL 36 Cb -0.14 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1ipe s VAL 36 CO 0.06 -0.17 -0.04 -0.47 0.00 0.00 0.00 175.10 174.49 1ipe s TYR 37 N -1.84 0.66 0.33 5.22 6.14 -0.52 -1.31 117.35 126.04 1ipe s TYR 37 Ca 0.25 -0.16 0.03 0.00 0.64 0.00 0.00 57.07 57.83 1ipe s TYR 37 Cb -0.08 -0.60 -0.04 0.00 0.42 0.00 0.00 41.96 41.66 1ipe s TYR 37 CO 0.14 -0.16 0.12 -0.08 0.64 0.00 0.00 175.55 176.21 1ipe s THR 38 N 0.85 0.59 0.02 4.34 -1.32 -0.67 -0.48 115.64 118.97 1ipe s THR 38 Ca -0.11 -2.00 -0.23 0.00 -1.21 0.00 0.00 61.69 58.14 1ipe s THR 38 Cb -0.14 -2.54 0.05 0.00 -1.51 0.00 0.00 72.50 68.36 1ipe s THR 38 CO -0.00 0.00 0.52 0.00 -2.21 0.00 0.00 174.62 172.93 1ipe s SER 40 N -1.78 0.07 0.00 0.00 1.04 -1.24 -1.09 113.70 110.71 1ipe s SER 40 Ca -0.07 -1.01 0.25 0.00 0.48 0.00 0.00 55.95 55.60 1ipe s SER 40 Cb -0.01 0.66 1.16 0.00 0.10 0.00 0.00 66.02 67.93 1ipe s SER 40 CO 0.01 -1.27 1.79 0.54 0.98 0.00 0.00 173.24 175.28 1ipe n ARG 41 N -0.44 1.39 -4.19 4.02 1.74 -1.24 -0.99 116.66 116.94 1ipe n ARG 41 Ca -0.02 -0.57 -0.23 0.00 -0.77 0.00 0.00 57.85 56.25 1ipe n ARG 41 Cb 0.61 -1.42 -0.17 0.00 -1.02 0.00 0.00 32.46 30.47 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 -1.78 1.54 -0.01 0.55 3.84 -1.26 -4.83 114.94 112.98 1ipe s ASN 42 Ca 0.36 -0.21 -0.22 0.00 0.21 0.00 0.00 52.86 53.00 1ipe s ASN 42 Cb 0.18 -0.64 -0.21 0.00 -0.55 0.00 0.00 41.25 40.02 1ipe s ASN 42 CO 0.29 -0.06 1.12 -0.61 -2.79 0.00 0.00 177.10 175.06 1ipe h GLN 43 N 7.47 0.29 -0.32 0.43 5.75 -1.97 -2.42 115.11 124.34 1ipe h GLN 43 Ca -0.32 -0.26 0.07 0.00 -0.15 0.00 0.00 58.65 57.98 1ipe h GLN 43 Cb 1.15 0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.70 1ipe h GLN 43 CO 0.43 0.94 -0.10 -0.22 -2.65 0.00 0.00 178.83 177.23 1ipe h LYS 44 N -0.27 -0.03 -0.33 1.69 3.64 -1.99 0.18 116.57 119.46 1ipe h LYS 44 Ca -0.03 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1ipe h LYS 44 Cb 1.03 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 1ipe h LYS 44 CO 0.07 -0.02 0.14 0.93 -2.27 0.00 0.00 179.45 178.30 1ipe h GLU 45 N -0.03 0.30 -0.91 1.90 5.08 -2.00 -1.56 114.58 117.34 1ipe h GLU 45 Ca 0.16 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1ipe h GLU 45 Cb 0.27 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1ipe h GLU 45 CO -0.35 0.20 0.58 -0.07 -1.00 0.00 0.00 179.01 178.37 1ipe h LEU 46 N 0.30 0.94 -0.77 1.33 3.38 -0.81 -2.18 115.31 117.50 1ipe h LEU 46 Ca 0.14 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1ipe h LEU 46 Cb 0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1ipe h LEU 46 CO -0.12 0.62 -0.14 0.78 0.09 0.00 0.00 178.44 179.67 1ipe h ASN 47 N 1.09 0.79 0.63 -0.43 2.35 -0.02 -1.65 115.58 118.34 1ipe h ASN 47 Ca 0.38 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1ipe h ASN 47 Cb 0.10 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1ipe h ASN 47 CO -0.15 0.93 -0.34 0.44 -1.65 0.00 0.00 177.43 176.67 1ipe h ASP 48 N 0.71 0.00 0.05 5.81 3.45 -0.93 -1.85 116.42 123.66 1ipe h ASP 48 Ca 0.11 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.57 1ipe h ASP 48 Cb 0.63 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.40 1ipe h ASP 48 CO 0.04 0.34 -0.02 0.00 -1.57 0.00 0.00 179.24 178.03 1ipe h LEU 50 N -0.54 0.44 -0.25 0.00 3.38 -1.12 0.14 115.31 117.35 1ipe h LEU 50 Ca -0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ipe h LEU 50 Cb 0.48 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1ipe h LEU 50 CO 0.01 0.29 0.07 0.74 0.09 0.00 0.00 178.44 179.65 1ipe h THR 51 N 0.50 1.20 -0.05 0.22 2.02 -1.25 0.11 112.91 115.66 1ipe h THR 51 Ca 0.22 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1ipe h THR 51 Cb 0.24 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1ipe h THR 51 CO -0.06 0.20 -0.02 -0.61 0.37 0.00 0.00 175.52 175.40 1ipe h GLN 52 N 0.23 0.11 -0.84 6.66 5.75 -1.03 -3.04 115.11 122.95 1ipe h GLN 52 Ca 0.08 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.60 1ipe h GLN 52 Cb 0.24 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.73 1ipe h GLN 52 CO -0.00 0.49 0.51 -1.49 -2.65 0.00 0.00 178.83 175.68 1ipe h TRP 53 N -0.27 0.94 0.00 3.99 6.55 -0.69 -2.55 115.95 123.92 1ipe h TRP 53 Ca 0.01 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.88 1ipe h TRP 53 Cb 0.45 -0.30 0.00 0.00 -0.86 0.00 0.00 29.16 28.45 1ipe h TRP 53 CO 0.07 0.46 0.00 0.00 -1.05 0.00 0.00 178.44 177.91 1ipe h ARG 54 N 0.91 0.00 0.00 0.49 3.08 -1.02 -2.60 114.38 115.25 1ipe h ARG 54 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1ipe h ARG 54 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1ipe h ARG 54 CO -0.19 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.58 1ipe n SER 55 N -2.71 0.00 -0.78 7.04 3.41 -0.96 -2.25 113.62 117.36 1ipe n SER 55 Ca 0.03 0.02 0.07 0.00 -0.26 0.00 0.00 58.87 58.73 1ipe n SER 55 Cb 0.37 -0.33 0.17 0.00 -0.26 0.00 0.00 64.21 64.16 1ipe n SER 55 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ipe n LYS 56 N -1.33 2.38 -1.06 4.33 5.02 -0.99 -4.97 118.16 121.55 1ipe n LYS 56 Ca 0.12 -2.02 -0.02 0.00 -2.02 0.00 0.00 58.31 54.37 1ipe n LYS 56 Cb 0.24 -1.34 -0.01 0.00 -0.02 0.00 0.00 35.03 33.90 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 0.84 0.55 3.79 0.72 0.00 -0.95 -5.01 105.19 105.12 1ipe n GLY 57 Ca 0.14 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.99 3.25 -0.37 1.61 2.99 -1.13 -4.99 117.98 117.34 1ipe s PHE 58 Ca 0.00 1.64 -0.15 0.00 0.00 0.00 0.00 56.93 58.41 1ipe s PHE 58 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 43.02 39.95 1ipe s PHE 58 CO 0.00 -0.56 0.36 0.15 -0.00 0.00 0.00 175.22 175.16 1ipe s LYS 59 N -2.67 3.33 0.02 0.44 1.02 -1.26 -4.57 119.74 116.05 1ipe s LYS 59 Ca 0.60 -0.64 -0.13 0.00 0.02 0.00 0.00 55.97 55.82 1ipe s LYS 59 Cb -0.19 -3.88 0.02 0.00 -0.52 0.00 0.00 37.83 33.26 1ipe s LYS 59 CO 0.24 -0.64 0.27 0.08 -0.92 0.00 0.00 175.35 174.39 1ipe s VAL 60 N 1.96 0.08 0.01 3.17 1.01 -1.26 -1.69 120.40 123.68 1ipe s VAL 60 Ca 0.10 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 1ipe s VAL 60 Cb -0.17 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1ipe s VAL 60 CO 0.12 -0.35 0.19 -0.70 0.00 0.00 0.00 175.10 174.35 1ipe s GLU 61 N -1.98 0.59 0.17 2.72 2.56 -0.42 -4.97 118.70 117.37 1ipe s GLU 61 Ca -0.09 -0.45 -0.12 0.00 0.00 0.00 0.00 54.97 54.31 1ipe s GLU 61 Cb -0.03 0.25 0.00 0.00 2.00 0.00 0.00 34.13 36.35 1ipe s GLU 61 CO -0.00 -0.16 0.37 0.00 -0.56 0.00 0.00 175.26 174.91 1ipe s ALA 62 N -1.79 -0.32 -0.12 6.30 0.00 -1.26 -1.67 121.76 122.90 1ipe s ALA 62 Ca -0.11 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 1ipe s ALA 62 Cb -0.05 0.85 0.09 0.00 0.00 0.00 0.00 23.12 24.01 1ipe s ALA 62 CO 0.00 -0.70 0.81 -1.54 0.00 0.00 0.00 175.76 174.34 1ipe s SER 63 N -2.93 -0.56 0.07 0.00 1.04 -0.93 -4.95 113.70 105.44 1ipe s SER 63 Ca 0.14 0.69 -0.31 0.00 0.48 0.00 0.00 55.95 56.95 1ipe s SER 63 Cb 0.02 0.57 -0.08 0.00 0.10 0.00 0.00 66.02 66.63 1ipe s SER 63 CO -0.01 -0.46 1.53 -0.69 0.98 0.00 0.00 173.24 174.59 1ipe s VAL 64 N -0.93 3.19 -0.11 5.02 1.01 -1.26 -3.59 120.40 123.74 1ipe s VAL 64 Ca -0.06 0.72 -0.12 0.00 0.00 0.00 0.00 61.98 62.52 1ipe s VAL 64 Cb -0.01 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.94 1ipe s VAL 64 CO 0.05 0.02 0.33 0.00 0.00 0.00 0.00 175.10 175.51 1ipe s ASP 66 N -0.05 5.41 0.00 0.00 2.15 -1.26 -3.65 116.67 119.26 1ipe s ASP 66 Ca -0.02 -2.16 0.04 0.00 0.43 0.00 0.00 52.55 50.84 1ipe s ASP 66 Cb -0.03 -1.89 0.20 0.00 -0.30 0.00 0.00 42.92 40.90 1ipe s ASP 66 CO 0.01 -0.56 0.87 0.18 -0.17 0.00 0.00 175.17 175.50 1ipe n LEU 67 N 4.48 0.00 0.05 -1.34 4.77 -1.26 -0.96 117.00 122.74 1ipe n LEU 67 Ca -0.02 0.19 0.13 0.00 -0.03 0.00 0.00 56.01 56.28 1ipe n LEU 67 Cb 0.41 -0.19 0.32 0.00 -2.33 0.00 0.00 43.42 41.62 1ipe n LEU 67 CO 0.36 -0.17 0.60 -1.54 -1.33 0.00 0.00 177.39 175.31 1ipe n SER 68 N -1.19 0.57 -4.45 -1.43 3.41 -1.26 -4.64 113.62 104.64 1ipe n SER 68 Ca 0.02 0.22 -0.43 0.00 -0.26 0.00 0.00 58.87 58.42 1ipe n SER 68 Cb 0.02 -0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 63.73 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 -3.86 6.16 0.19 4.04 0.15 -0.13 -4.94 113.70 115.30 1ipe s SER 69 Ca 0.09 -0.95 -0.13 0.00 0.70 0.00 0.00 55.95 55.67 1ipe s SER 69 Cb 0.15 -2.20 0.20 0.00 -1.71 0.00 0.00 66.02 62.46 1ipe s SER 69 CO 0.66 -0.59 1.71 -0.09 1.20 0.00 0.00 173.24 176.12 1ipe h ARG 70 N 8.73 0.20 -0.95 5.44 2.43 -1.84 -0.90 114.38 127.48 1ipe h ARG 70 Ca -0.27 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.92 1ipe h ARG 70 Cb 1.11 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.56 1ipe h ARG 70 CO 0.81 0.13 0.62 0.66 -1.51 0.00 0.00 179.97 180.68 1ipe h SER 71 N 0.20 1.02 0.45 -3.80 4.64 -1.94 -0.06 113.55 114.07 1ipe h SER 71 Ca 0.26 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.51 1ipe h SER 71 Cb 0.36 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1ipe h SER 71 CO -0.36 0.70 -0.29 -0.33 -0.87 0.00 0.00 176.83 175.68 1ipe h GLU 72 N 1.19 0.00 -0.32 4.77 5.08 -1.57 -2.19 114.58 121.54 1ipe h GLU 72 Ca 0.38 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.61 1ipe h GLU 72 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ipe h GLU 72 CO -0.13 0.29 -0.33 0.00 -1.00 0.00 0.00 179.01 177.84 1ipe h ARG 73 N 0.00 0.79 0.00 2.33 3.08 0.27 -1.99 114.38 118.87 1ipe h ARG 73 Ca -0.00 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1ipe h ARG 73 Cb 0.59 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1ipe h ARG 73 CO 0.04 1.05 0.00 1.96 -1.07 0.00 0.00 179.97 181.95 1ipe h GLN 74 N 0.56 0.00 0.06 0.04 4.20 -1.07 -2.66 115.11 116.24 1ipe h GLN 74 Ca 0.05 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.58 1ipe h GLN 74 Cb 0.91 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.71 1ipe h GLN 74 CO 0.08 0.00 -0.75 1.49 -0.67 0.00 0.00 178.83 178.98 1ipe h GLU 75 N 0.00 0.40 -0.84 1.46 4.81 -1.10 -3.14 114.58 116.17 1ipe h GLU 75 Ca 0.00 -0.51 0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1ipe h GLU 75 Cb 0.57 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.07 1ipe h GLU 75 CO 0.00 1.18 0.55 1.25 -0.73 0.00 0.00 179.01 181.26 1ipe h LEU 76 N -0.15 0.93 -0.75 1.64 5.85 -1.08 -1.73 115.31 120.02 1ipe h LEU 76 Ca -0.11 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 1ipe h LEU 76 Cb 1.50 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 1ipe h LEU 76 CO 0.14 0.66 0.11 -0.03 -0.34 0.00 0.00 178.44 178.98 1ipe h MET 77 N 1.09 1.07 -0.54 1.25 4.05 -1.56 0.61 114.93 120.90 1ipe h MET 77 Ca 0.32 -0.27 -0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1ipe h MET 77 Cb -0.06 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.59 1ipe h MET 77 CO -0.09 0.97 0.32 -0.91 0.23 0.00 0.00 176.91 177.43 1ipe h ASN 78 N 1.00 0.65 -0.22 1.39 2.35 -1.40 0.44 115.58 119.79 1ipe h ASN 78 Ca 0.20 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1ipe h ASN 78 Cb 0.42 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1ipe h ASN 78 CO 0.01 0.52 0.07 0.74 -1.65 0.00 0.00 177.43 177.12 1ipe h THR 79 N 0.72 1.19 -0.38 2.81 2.02 -0.88 -1.98 112.91 116.41 1ipe h THR 79 Ca 0.19 -0.61 -0.10 0.00 0.77 0.00 0.00 66.41 66.66 1ipe h THR 79 Cb -0.01 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1ipe h THR 79 CO -0.04 0.19 -0.17 0.58 0.37 0.00 0.00 175.52 176.46 1ipe h VAL 80 N 0.18 1.28 -0.55 3.16 2.07 -0.68 -1.63 116.25 120.09 1ipe h VAL 80 Ca 0.07 -1.29 0.10 0.00 0.82 0.00 0.00 66.70 66.40 1ipe h VAL 80 Cb 0.24 1.30 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 1ipe h VAL 80 CO -0.00 0.43 0.09 0.00 0.02 0.00 0.00 177.57 178.11 1ipe h ALA 81 N 0.81 0.61 -0.16 1.67 0.00 -0.02 -0.92 119.26 121.24 1ipe h ALA 81 Ca 0.09 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1ipe h ALA 81 Cb 0.71 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1ipe h ALA 81 CO 0.05 -0.32 -0.01 -0.91 0.00 0.00 0.00 179.25 178.06 1ipe h ASN 82 N 0.22 0.29 -0.94 0.00 2.35 -1.28 1.01 115.58 117.24 1ipe h ASN 82 Ca 0.28 -0.33 0.19 0.00 -0.55 0.00 0.00 56.30 55.90 1ipe h ASN 82 Cb 0.41 -0.08 -0.11 0.00 0.05 0.00 0.00 38.32 38.59 1ipe h ASN 82 CO -0.38 0.55 0.52 -0.74 -1.65 0.00 0.00 177.43 175.72 1ipe h HIS 83 N 0.03 0.89 -0.62 1.19 2.76 -0.58 0.43 115.15 119.25 1ipe h HIS 83 Ca 0.05 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1ipe h HIS 83 Cb 0.41 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.12 1ipe h HIS 83 CO 0.04 0.13 0.00 1.19 -1.30 0.00 0.00 177.93 177.99 1ipe n PHE 84 N -4.87 1.23 -3.74 5.26 3.72 -0.42 -4.97 117.46 113.67 1ipe n PHE 84 Ca 0.22 -0.59 -0.22 0.00 -0.05 0.00 0.00 57.45 56.81 1ipe n PHE 84 Cb 0.58 -0.17 0.02 0.00 -0.94 0.00 0.00 39.48 38.98 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 1.10 -1.88 -1.93 1.38 8.25 0.14 -2.55 115.22 119.73 1ipe n HIS 85 Ca 0.24 0.83 -0.15 0.00 -0.26 0.00 0.00 57.72 58.38 1ipe n HIS 85 Cb 0.78 -4.30 -0.03 0.00 1.12 0.00 0.00 29.99 27.56 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 -1.63 0.47 2.69 -1.41 0.00 0.34 -5.00 105.19 100.65 1ipe n GLY 86 Ca -0.30 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.13 0.09 -0.12 1.61 1.02 -1.06 -4.69 119.74 112.46 1ipe s LYS 87 Ca 0.00 0.13 0.01 0.00 0.02 0.00 0.00 55.97 56.13 1ipe s LYS 87 Cb 0.00 -1.32 0.02 0.00 -0.52 0.00 0.00 37.83 36.01 1ipe s LYS 87 CO 0.00 -0.59 -0.13 -1.17 -0.92 0.00 0.00 175.35 172.54 1ipe s LEU 88 N 2.22 1.58 -0.09 3.17 2.96 -0.86 -4.76 118.68 122.91 1ipe s LEU 88 Ca 0.04 -0.42 0.12 0.00 -0.22 0.00 0.00 54.13 53.65 1ipe s LEU 88 Cb -0.15 -1.06 -0.24 0.00 0.50 0.00 0.00 46.19 45.24 1ipe s LEU 88 CO -0.09 -0.04 0.48 0.59 -1.32 0.00 0.00 176.35 175.97 1ipe n ASN 89 N 4.59 0.82 -4.06 3.68 4.13 -0.64 -3.61 115.26 120.18 1ipe n ASN 89 Ca -0.17 0.29 -0.22 0.00 1.68 0.00 0.00 54.58 56.16 1ipe n ASN 89 Cb 0.50 0.09 -0.16 0.00 -1.54 0.00 0.00 39.78 38.68 1ipe n ASN 89 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1ipe s ILE 90 N -2.57 1.02 -0.18 2.41 1.01 -0.83 0.13 121.20 122.19 1ipe s ILE 90 Ca -0.08 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 1ipe s ILE 90 Cb 0.07 -0.88 0.05 0.00 0.01 0.00 0.00 42.46 41.71 1ipe s ILE 90 CO 0.81 0.30 -0.04 -0.22 0.00 0.00 0.00 174.94 175.79 1ipe s LEU 91 N 0.06 1.72 -0.33 2.97 2.96 -0.38 -0.96 118.68 124.72 1ipe s LEU 91 Ca -0.02 -0.76 -0.06 0.00 -0.22 0.00 0.00 54.13 53.07 1ipe s LEU 91 Cb -0.09 -0.92 0.04 0.00 0.50 0.00 0.00 46.19 45.72 1ipe s LEU 91 CO 0.01 -0.20 0.08 -0.69 -1.32 0.00 0.00 176.35 174.23 1ipe s VAL 92 N 1.62 3.65 -0.82 1.68 1.01 -0.13 -0.54 120.40 126.87 1ipe s VAL 92 Ca -0.01 -1.14 -0.21 0.00 0.00 0.00 0.00 61.98 60.63 1ipe s VAL 92 Cb -0.16 -3.06 0.10 0.00 0.00 0.00 0.00 36.38 33.26 1ipe s VAL 92 CO -0.07 -0.14 1.09 0.20 0.00 0.00 0.00 175.10 176.17 1ipe s ASN 93 N 1.38 6.42 -0.12 3.32 0.02 0.15 -2.42 114.94 123.69 1ipe s ASN 93 Ca -0.02 -1.54 0.06 0.00 -1.02 0.00 0.00 52.86 50.34 1ipe s ASN 93 Cb -0.19 -2.42 -0.12 0.00 0.02 0.00 0.00 41.25 38.54 1ipe s ASN 93 CO 0.02 -1.27 -0.03 -3.20 0.02 0.00 0.00 177.10 172.65 1ipe n ASN 94 N 7.25 2.53 -4.52 -1.22 5.15 -1.26 -0.92 115.26 122.27 1ipe n ASN 94 Ca 0.13 -0.03 -0.52 0.00 -0.60 0.00 0.00 54.58 53.56 1ipe n ASN 94 Cb 0.48 0.37 -0.05 0.00 -0.53 0.00 0.00 39.78 40.04 1ipe n ASN 94 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ipe n ALA 95 N -2.62 -2.01 -3.58 5.20 0.00 -1.17 -4.90 120.51 111.44 1ipe n ALA 95 Ca -0.21 0.50 -0.11 0.00 0.00 0.00 0.00 53.44 53.63 1ipe n ALA 95 Cb 0.82 -1.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 1ipe n ALA 95 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ipe s GLY 96 N -0.14 -0.27 0.06 0.00 0.00 -1.26 -4.65 107.32 101.05 1ipe s GLY 96 Ca 0.78 2.03 0.04 0.00 0.00 0.00 0.00 44.72 47.56 1ipe s GLY 96 CO 0.54 1.06 -0.12 -0.26 0.00 0.00 0.00 173.10 174.31 1ipe s ILE 97 N -1.06 0.94 0.07 0.90 -4.36 -1.26 -5.03 121.20 111.40 1ipe s ILE 97 Ca -0.02 -1.21 0.08 0.00 -0.26 0.00 0.00 60.65 59.24 1ipe s ILE 97 Cb -0.01 -0.93 -0.03 0.00 1.25 0.00 0.00 42.46 42.74 1ipe s ILE 97 CO 0.02 -0.25 -0.19 0.68 0.24 0.00 0.00 174.94 175.43 1ipe s VAL 98 N -1.27 2.71 -0.31 8.37 -7.23 -1.26 -4.91 120.40 116.51 1ipe s VAL 98 Ca -0.04 -1.34 -0.02 0.00 -1.81 0.00 0.00 61.98 58.77 1ipe s VAL 98 Cb -0.10 -2.17 0.10 0.00 0.56 0.00 0.00 36.38 34.77 1ipe s VAL 98 CO 0.02 0.25 0.11 -0.63 -0.31 0.00 0.00 175.10 174.54 1ipe s ILE 99 N -0.99 0.62 -1.14 -0.62 1.01 -1.26 -5.08 121.20 113.74 1ipe s ILE 99 Ca 0.15 -1.27 -0.22 0.00 0.00 0.00 0.00 60.65 59.32 1ipe s ILE 99 Cb -0.10 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 1ipe s ILE 99 CO 0.07 -0.70 1.84 -0.31 0.00 0.00 0.00 174.94 175.83 1ipe s TYR 100 N 1.70 2.18 0.15 3.97 2.02 -1.26 -4.87 117.35 121.24 1ipe s TYR 100 Ca 0.10 -0.13 -0.03 0.00 -0.37 0.00 0.00 57.07 56.64 1ipe s TYR 100 Cb -0.17 -4.26 -0.03 0.00 -0.40 0.00 0.00 41.96 37.10 1ipe s TYR 100 CO -0.27 -1.53 0.13 0.15 -1.57 0.00 0.00 175.55 172.46 1ipe s LYS 101 N 5.90 1.04 0.67 -0.62 1.02 -1.25 -5.04 119.74 121.46 1ipe s LYS 101 Ca 0.63 -1.40 -0.11 0.00 0.02 0.00 0.00 55.97 55.11 1ipe s LYS 101 Cb -0.01 0.28 -0.00 0.00 -0.52 0.00 0.00 37.83 37.59 1ipe s LYS 101 CO 0.07 -0.33 1.06 -1.21 -0.92 0.00 0.00 175.35 174.02 1ipe s GLU 102 N -4.04 3.06 0.26 1.68 2.02 -1.26 -4.47 118.70 115.94 1ipe s GLU 102 Ca 0.25 0.49 -0.02 0.00 0.02 0.00 0.00 54.97 55.70 1ipe s GLU 102 Cb 0.06 -2.06 0.47 0.00 0.10 0.00 0.00 34.13 32.69 1ipe s GLU 102 CO 0.03 -0.88 1.82 0.00 0.02 0.00 0.00 175.26 176.25 1ipe h ALA 103 N -0.52 1.32 -0.00 5.21 0.00 -1.99 -1.36 119.26 121.92 1ipe h ALA 103 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ipe h ALA 103 Cb 1.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ipe h ALA 103 CO 0.63 0.14 -0.01 0.36 0.00 0.00 0.00 179.25 180.37 1ipe n LYS 104 N -4.70 0.60 -0.18 0.00 2.85 -1.26 -3.66 118.16 111.80 1ipe n LYS 104 Ca 0.16 -0.02 0.10 0.00 -1.05 0.00 0.00 58.31 57.50 1ipe n LYS 104 Cb 0.32 -1.50 0.19 0.00 -0.65 0.00 0.00 35.03 33.39 1ipe n LYS 104 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1ipe n ASP 105 N -1.18 3.24 -4.76 -5.58 10.43 -0.51 -4.98 116.55 113.19 1ipe n ASP 105 Ca 0.17 -1.93 -0.39 0.00 2.57 0.00 0.00 54.79 55.21 1ipe n ASP 105 Cb 0.21 -0.24 -0.06 0.00 1.84 0.00 0.00 41.12 42.87 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 -1.27 3.85 0.41 1.24 4.12 -1.23 -4.87 117.35 119.59 1ipe s TYR 106 Ca 0.34 1.85 0.05 0.00 0.02 0.00 0.00 57.07 59.33 1ipe s TYR 106 Cb 0.19 -2.95 0.00 0.00 -1.52 0.00 0.00 41.96 37.68 1ipe s TYR 106 CO 0.27 0.34 0.57 0.95 0.02 0.00 0.00 175.55 177.70 1ipe s THR 107 N -1.39 3.56 0.51 -0.71 -4.23 -1.26 -4.94 115.64 107.18 1ipe s THR 107 Ca 0.45 -0.87 0.23 0.00 -1.18 0.00 0.00 61.69 60.33 1ipe s THR 107 Cb -0.22 -3.25 0.29 0.00 1.34 0.00 0.00 72.50 70.66 1ipe s THR 107 CO 0.28 -0.12 2.14 0.58 -0.54 0.00 0.00 174.62 176.96 1ipe h VAL 108 N 0.63 0.75 -0.15 2.29 2.07 -1.99 -1.53 116.25 118.32 1ipe h VAL 108 Ca -0.44 -0.26 -0.22 0.00 0.82 0.00 0.00 66.70 66.60 1ipe h VAL 108 Cb 1.27 1.15 0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1ipe h VAL 108 CO 0.51 0.07 -0.79 -0.33 0.02 0.00 0.00 177.57 177.05 1ipe h GLU 109 N 0.00 0.78 -0.21 1.57 3.07 -1.98 -0.52 114.58 117.28 1ipe h GLU 109 Ca -0.00 -0.64 -0.02 0.00 -0.50 0.00 0.00 59.36 58.20 1ipe h GLU 109 Cb 0.15 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1ipe h GLU 109 CO 0.01 1.25 0.05 -0.44 -1.40 0.00 0.00 179.01 178.48 1ipe h ASP 110 N 0.53 0.33 -0.19 1.42 3.45 -1.69 -1.02 116.42 119.25 1ipe h ASP 110 Ca -0.05 -0.23 -0.02 0.00 0.43 0.00 0.00 57.03 57.15 1ipe h ASP 110 Cb 1.42 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 40.09 1ipe h ASP 110 CO 0.16 0.48 0.04 0.22 -1.57 0.00 0.00 179.24 178.56 1ipe h TYR 111 N 0.16 0.34 -0.75 4.55 5.03 -1.36 -1.80 116.97 123.14 1ipe h TYR 111 Ca 0.07 -0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.30 1ipe h TYR 111 Cb 0.28 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.43 1ipe h TYR 111 CO 0.01 0.46 0.33 0.77 -1.32 0.00 0.00 178.16 178.41 1ipe h SER 112 N 0.12 0.99 0.18 -2.11 0.02 -1.06 -1.60 113.55 110.08 1ipe h SER 112 Ca 0.06 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1ipe h SER 112 Cb 0.30 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1ipe h SER 112 CO 0.00 0.85 -0.09 0.25 -1.14 0.00 0.00 176.83 176.71 1ipe h LEU 113 N 1.07 -0.20 -1.21 5.07 5.85 -1.08 -3.00 115.31 121.81 1ipe h LEU 113 Ca 0.25 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1ipe h LEU 113 Cb 0.15 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1ipe h LEU 113 CO -0.03 0.11 -0.20 -0.29 -0.34 0.00 0.00 178.44 177.70 1ipe h ILE 114 N -0.54 1.22 0.00 4.05 2.10 -1.27 -2.73 117.51 120.35 1ipe h ILE 114 Ca -0.02 -1.02 -0.07 0.00 1.08 0.00 0.00 64.86 64.82 1ipe h ILE 114 Cb 0.41 1.31 -0.01 0.00 -1.09 0.00 0.00 36.82 37.44 1ipe h ILE 114 CO 0.04 0.32 -0.33 -0.03 -1.08 0.00 0.00 178.15 177.07 1ipe h MET 115 N 0.28 0.00 0.00 2.19 4.05 -1.34 -2.10 114.93 118.01 1ipe h MET 115 Ca 0.05 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.25 1ipe h MET 115 Cb 0.51 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.28 1ipe h MET 115 CO 0.03 0.33 -1.35 0.66 0.23 0.00 0.00 176.91 176.81 1ipe h SER 116 N 0.00 0.00 0.06 1.39 4.64 -1.37 -1.22 113.55 117.04 1ipe h SER 116 Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.06 1ipe h SER 116 Cb 0.94 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 1ipe h SER 116 CO 0.04 0.83 -1.35 0.40 -0.87 0.00 0.00 176.83 175.88 1ipe h ILE 117 N 0.00 0.95 -0.08 0.95 2.04 -1.51 -0.87 117.51 118.99 1ipe h ILE 117 Ca -0.17 -2.28 -0.16 0.00 1.00 0.00 0.00 64.86 63.25 1ipe h ILE 117 Cb 1.78 2.49 0.01 0.00 -0.74 0.00 0.00 36.82 40.36 1ipe h ILE 117 CO 0.08 0.55 -0.59 0.78 0.00 0.00 0.00 178.15 178.97 1ipe h ASN 118 N -0.61 0.66 0.00 1.72 4.21 -1.56 -3.39 115.58 116.62 1ipe h ASN 118 Ca -0.33 -0.67 0.00 0.00 1.21 0.00 0.00 56.30 56.51 1ipe h ASN 118 Cb 1.55 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 38.55 1ipe h ASN 118 CO -0.07 1.23 0.00 0.33 -1.29 0.00 0.00 177.43 177.64 1ipe n PHE 119 N -4.17 0.00 -0.35 1.19 7.35 -1.05 -4.42 117.46 116.01 1ipe n PHE 119 Ca -0.09 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.71 1ipe n PHE 119 Cb 0.65 0.00 0.22 0.00 0.35 0.00 0.00 39.48 40.70 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 0.00 -0.38 -4.13 4.81 -1.38 0.20 114.58 113.70 1ipe h GLU 120 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1ipe h GLU 120 Cb 0.00 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1ipe h GLU 120 CO 0.00 0.00 0.20 0.00 -0.73 0.00 0.00 179.01 178.48 1ipe h ALA 121 N 1.99 0.48 -0.71 2.92 0.00 -1.35 0.89 119.26 123.48 1ipe h ALA 121 Ca 0.54 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 1ipe h ALA 121 Cb 1.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1ipe h ALA 121 CO -0.97 0.02 0.27 0.00 0.00 0.00 0.00 179.25 178.57 1ipe h ALA 122 N 1.06 1.13 -0.12 0.00 0.00 -0.93 -1.01 119.26 119.39 1ipe h ALA 122 Ca 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1ipe h ALA 122 Cb 0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1ipe h ALA 122 CO -0.02 0.62 -0.09 -0.92 0.00 0.00 0.00 179.25 178.83 1ipe h TYR 123 N 1.03 0.32 0.49 0.00 3.20 -0.34 -2.55 116.97 119.12 1ipe h TYR 123 Ca 0.24 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 1ipe h TYR 123 Cb 0.22 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1ipe h TYR 123 CO 0.02 0.66 -0.26 1.25 -1.64 0.00 0.00 178.16 178.19 1ipe h HIS 124 N -0.10 -0.67 -0.76 -3.82 2.76 0.11 -1.78 115.15 110.88 1ipe h HIS 124 Ca 0.02 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.22 1ipe h HIS 124 Cb 0.59 0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.74 1ipe h HIS 124 CO 0.08 -0.41 0.50 -0.07 -1.30 0.00 0.00 177.93 176.73 1ipe h LEU 125 N -0.69 0.79 -0.01 0.26 3.38 -1.30 -0.66 115.31 117.08 1ipe h LEU 125 Ca -0.06 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1ipe h LEU 125 Cb 0.54 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1ipe h LEU 125 CO 0.09 0.54 -0.50 0.28 0.09 0.00 0.00 178.44 178.93 1ipe h SER 126 N 0.91 -1.56 -0.64 -0.43 0.02 -1.02 0.18 113.55 111.01 1ipe h SER 126 Ca 0.31 0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1ipe h SER 126 Cb 0.08 0.59 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 1ipe h SER 126 CO -0.09 -0.49 0.40 0.58 -1.14 0.00 0.00 176.83 176.09 1ipe h VAL 127 N -0.62 1.18 -0.41 2.27 2.07 -0.67 -2.43 116.25 117.63 1ipe h VAL 127 Ca 0.01 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 1ipe h VAL 127 Cb 0.67 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1ipe h VAL 127 CO -0.34 0.18 -0.06 -0.07 0.02 0.00 0.00 177.57 177.30 1ipe h LEU 128 N 0.89 0.77 -1.25 2.57 3.38 -0.38 -3.03 115.31 118.26 1ipe h LEU 128 Ca 0.23 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1ipe h LEU 128 Cb -0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1ipe h LEU 128 CO -0.05 0.93 -0.17 0.00 0.09 0.00 0.00 178.44 179.24 1ipe h ALA 129 N 0.87 1.04 -0.91 1.53 0.00 -0.41 -3.37 119.26 118.00 1ipe h ALA 129 Ca 0.11 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1ipe h ALA 129 Cb 0.57 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.21 1ipe h ALA 129 CO 0.03 0.21 -0.48 1.58 0.00 0.00 0.00 179.25 180.60 1ipe n HIS 130 N -3.35 -0.26 0.27 0.00 -0.00 -0.94 -0.55 115.22 110.39 1ipe n HIS 130 Ca 0.00 1.14 0.11 0.00 -0.00 0.00 0.00 57.72 58.97 1ipe n HIS 130 Cb 0.39 -0.66 0.73 0.00 -0.00 0.00 0.00 29.99 30.45 1ipe n HIS 130 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ipe h PRO 131 N 0.00 0.00 0.00 1.57 0.13 -1.80 0.59 132.00 132.50 1ipe h PRO 131 Ca 0.20 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.11 1ipe h PRO 131 Cb 0.43 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.53 1ipe h PRO 131 CO -0.88 0.06 -1.17 0.74 -0.23 0.00 0.00 178.00 176.53 1ipe h PHE 132 N 0.00 0.00 -0.07 1.56 0.04 -1.18 -1.88 116.94 115.41 1ipe h PHE 132 Ca -0.00 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.57 1ipe h PHE 132 Cb 0.13 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 1ipe h PHE 132 CO 0.00 0.95 -0.79 -0.07 -0.60 0.00 0.00 178.31 177.80 1ipe h LEU 133 N 0.00 0.58 0.42 1.54 3.38 0.06 -2.24 115.31 119.05 1ipe h LEU 133 Ca -0.09 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 1ipe h LEU 133 Cb 1.80 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1ipe h LEU 133 CO 0.11 1.16 -0.20 0.50 0.09 0.00 0.00 178.44 180.10 1ipe h LYS 134 N 0.31 -0.55 0.00 1.13 3.64 -0.93 -2.85 116.57 117.32 1ipe h LYS 134 Ca -0.05 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ipe h LYS 134 Cb 1.39 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 1ipe h LYS 134 CO 0.14 -0.24 0.22 0.00 -2.27 0.00 0.00 179.45 177.31 1ipe h ALA 135 N -0.52 1.15 0.00 5.00 0.00 -1.39 0.45 119.26 123.96 1ipe h ALA 135 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ipe h ALA 135 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ipe h ALA 135 CO 0.10 -0.15 0.00 0.66 0.00 0.00 0.00 179.25 179.85 1ipe h SER 136 N 0.00 0.00 0.00 0.00 4.64 -1.29 -3.47 113.55 113.44 1ipe h SER 136 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ipe h SER 136 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1ipe h SER 136 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1ipe n GLU 137 N -2.55 0.00 -2.75 4.77 1.02 0.16 -4.73 120.64 116.56 1ipe n GLU 137 Ca 0.04 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 1ipe n GLU 137 Cb 0.41 -3.10 0.06 0.00 -0.02 0.00 0.00 31.44 28.79 1ipe n GLU 137 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ipe n ARG 138 N -2.00 0.86 -2.28 3.49 0.63 -1.26 -4.93 116.66 111.16 1ipe n ARG 138 Ca 0.00 -1.82 -0.30 0.00 -0.92 0.00 0.00 57.85 54.81 1ipe n ARG 138 Cb 0.00 -1.33 -0.00 0.00 0.45 0.00 0.00 32.46 31.58 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 -1.56 1.69 -0.12 5.14 0.00 -1.05 -4.75 107.32 106.66 1ipe s GLY 139 Ca 0.29 -0.20 -0.08 0.00 0.00 0.00 0.00 44.72 44.73 1ipe s GLY 139 CO -0.18 0.03 0.30 -1.31 0.00 0.00 0.00 173.10 171.93 1ipe s ASN 140 N -3.90 -0.33 -0.08 1.64 0.01 0.34 -2.62 114.94 109.99 1ipe s ASN 140 Ca 0.53 0.62 0.02 0.00 -0.71 0.00 0.00 52.86 53.32 1ipe s ASN 140 Cb -0.11 0.55 0.01 0.00 0.41 0.00 0.00 41.25 42.12 1ipe s ASN 140 CO 0.46 -0.14 -0.14 -0.69 -1.51 0.00 0.00 177.10 175.07 1ipe s VAL 141 N 0.82 1.35 -0.07 1.60 1.01 -0.66 -1.25 120.40 123.19 1ipe s VAL 141 Ca -0.05 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1ipe s VAL 141 Cb -0.06 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1ipe s VAL 141 CO -0.06 0.41 -0.15 -0.69 0.00 0.00 0.00 175.10 174.61 1ipe s VAL 142 N 0.76 1.36 -0.14 2.92 1.01 0.30 -2.07 120.40 124.54 1ipe s VAL 142 Ca -0.12 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 1ipe s VAL 142 Cb -0.16 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1ipe s VAL 142 CO 0.02 0.40 -0.04 -0.36 0.00 0.00 0.00 175.10 175.13 1ipe s PHE 143 N 0.47 3.02 -0.72 5.22 0.08 -0.93 0.31 117.98 125.42 1ipe s PHE 143 Ca -0.13 -0.21 -0.17 0.00 0.12 0.00 0.00 56.93 56.53 1ipe s PHE 143 Cb -0.15 -1.90 0.14 0.00 -0.57 0.00 0.00 43.02 40.54 1ipe s PHE 143 CO 0.04 0.06 0.80 0.42 -0.10 0.00 0.00 175.22 176.45 1ipe s ILE 144 N 0.07 5.03 0.00 0.64 -1.09 -0.09 -1.06 121.20 124.69 1ipe s ILE 144 Ca -0.00 -1.54 0.00 0.00 -2.23 0.00 0.00 60.65 56.88 1ipe s ILE 144 Cb -0.13 -4.54 0.00 0.00 -1.58 0.00 0.00 42.46 36.20 1ipe s ILE 144 CO 0.03 -1.17 0.00 -0.24 -1.23 0.00 0.00 174.94 172.32 1ipe n SER 145 N 5.70 0.00 -3.55 3.58 2.88 -0.40 -4.90 113.62 116.93 1ipe n SER 145 Ca 0.04 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.50 1ipe n SER 145 Cb 0.45 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.88 1ipe n SER 145 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ipe s SER 146 N -1.01 -0.30 0.36 -3.46 0.15 -1.26 -4.08 113.70 104.10 1ipe s SER 146 Ca 0.00 0.12 0.09 0.00 0.70 0.00 0.00 55.95 56.86 1ipe s SER 146 Cb 0.00 0.29 0.67 0.00 -1.71 0.00 0.00 66.02 65.27 1ipe s SER 146 CO 0.00 -0.43 1.84 -0.37 1.20 0.00 0.00 173.24 175.48 1ipe h VAL 147 N 2.17 1.23 0.00 4.45 -1.51 -1.78 -1.36 116.25 119.45 1ipe h VAL 147 Ca -0.17 -1.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.24 1ipe h VAL 147 Cb 1.20 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 1ipe h VAL 147 CO 0.29 0.32 0.00 -1.20 -1.23 0.00 0.00 177.57 175.75 1ipe n SER 148 N -4.18 0.00 -0.17 4.19 7.64 -1.26 -0.79 113.62 119.04 1ipe n SER 148 Ca -0.01 0.14 0.14 0.00 1.01 0.00 0.00 58.87 60.14 1ipe n SER 148 Cb 0.34 -0.26 0.51 0.00 -1.01 0.00 0.00 64.21 63.79 1ipe n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ipe n GLY 149 N -0.58 -0.81 0.00 0.23 0.00 -0.51 -4.06 105.19 99.46 1ipe n GLY 149 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.83 0.93 -2.78 4.61 0.00 0.03 -4.13 120.51 118.33 1ipe n ALA 150 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 1ipe n ALA 150 Cb 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.03 1.94 0.02 0.00 1.43 -0.78 -5.13 118.68 115.12 1ipe s LEU 151 Ca 0.00 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 1ipe s LEU 151 Cb 0.00 0.45 -0.05 0.00 0.03 0.00 0.00 46.19 46.62 1ipe s LEU 151 CO 0.00 -0.44 1.25 0.00 0.23 0.00 0.00 176.35 177.38 1ipe s ALA 152 N -2.26 3.47 -0.01 4.21 0.00 -1.26 -4.37 121.76 121.53 1ipe s ALA 152 Ca -0.08 0.80 0.01 0.00 0.00 0.00 0.00 51.96 52.69 1ipe s ALA 152 Cb -0.03 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.59 1ipe s ALA 152 CO -0.03 -0.64 -0.03 0.08 0.00 0.00 0.00 175.76 175.14 1ipe s VAL 153 N 1.67 0.32 -0.04 0.00 1.01 -1.26 -5.07 120.40 117.03 1ipe s VAL 153 Ca 0.59 -0.11 -0.38 0.00 0.00 0.00 0.00 61.98 62.08 1ipe s VAL 153 Cb -0.29 -0.32 -0.17 0.00 0.00 0.00 0.00 36.38 35.61 1ipe s VAL 153 CO 0.27 0.12 1.43 -2.65 0.00 0.00 0.00 175.10 174.27 1ipe n PRO 154 N 3.38 1.01 -0.94 2.72 -0.02 -1.26 -2.13 135.00 137.75 1ipe n PRO 154 Ca -0.18 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1ipe n PRO 154 Cb 0.56 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 3.26 0.00 -2.06 6.00 4.01 -1.26 -4.91 117.16 122.19 1ipe n TYR 155 Ca 0.21 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.70 1ipe n TYR 155 Cb 0.16 -0.54 0.02 0.00 -0.31 0.00 0.00 39.34 38.66 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 -1.87 3.53 0.15 -0.72 1.02 -0.91 -3.92 120.64 117.92 1ipe n GLU 156 Ca 0.00 -4.18 -0.09 0.00 -0.02 0.00 0.00 57.16 52.88 1ipe n GLU 156 Cb 0.09 -2.28 -0.05 0.00 -0.02 0.00 0.00 31.44 29.19 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 2.25 -0.46 -0.35 0.62 0.00 -1.86 0.22 119.26 119.68 1ipe h ALA 157 Ca 0.37 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1ipe h ALA 157 Cb 1.37 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1ipe h ALA 157 CO 0.83 -0.45 -0.03 0.28 0.00 0.00 0.00 179.25 179.88 1ipe h VAL 158 N -1.08 1.27 -0.74 0.00 2.07 -1.92 0.20 116.25 116.05 1ipe h VAL 158 Ca -0.05 -1.04 0.07 0.00 0.82 0.00 0.00 66.70 66.50 1ipe h VAL 158 Cb 0.43 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1ipe h VAL 158 CO 0.08 0.34 0.42 0.22 0.02 0.00 0.00 177.57 178.65 1ipe h TYR 159 N 0.45 0.77 0.00 1.57 5.03 -1.86 0.05 116.97 122.97 1ipe h TYR 159 Ca 0.10 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.33 1ipe h TYR 159 Cb 0.50 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.53 1ipe h TYR 159 CO 0.04 0.35 -0.49 0.78 -1.32 0.00 0.00 178.16 177.53 1ipe h GLY 160 N 0.75 0.00 0.97 1.82 0.00 -0.20 -3.00 103.07 103.40 1ipe h GLY 160 Ca 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.62 1ipe h GLY 160 CO -0.20 0.00 0.12 0.00 0.00 0.00 0.00 176.54 176.46 1ipe h ALA 161 N 1.51 0.62 0.00 3.60 0.00 0.13 -0.14 119.26 124.98 1ipe h ALA 161 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1ipe h ALA 161 Cb 0.88 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ipe h ALA 161 CO 0.06 0.31 -0.17 1.79 0.00 0.00 0.00 179.25 181.24 1ipe h THR 162 N 0.64 1.09 0.07 0.00 1.35 -1.09 -1.82 112.91 113.15 1ipe h THR 162 Ca 0.15 -0.60 -0.29 0.00 -0.55 0.00 0.00 66.41 65.12 1ipe h THR 162 Cb 0.32 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 1ipe h THR 162 CO 0.00 0.17 -1.53 0.11 -0.25 0.00 0.00 175.52 174.02 1ipe h LYS 163 N 0.00 0.15 -0.09 4.72 1.79 -1.42 -2.80 116.57 118.93 1ipe h LYS 163 Ca -0.00 -0.26 -0.04 0.00 -2.18 0.00 0.00 60.65 58.17 1ipe h LYS 163 Cb 0.31 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1ipe h LYS 163 CO 0.02 0.95 -0.15 0.78 -1.08 0.00 0.00 179.45 179.97 1ipe h GLY 164 N 2.28 0.15 1.46 3.86 0.00 -0.68 0.19 103.07 110.34 1ipe h GLY 164 Ca -0.23 -0.09 -0.23 0.00 0.00 0.00 0.00 47.33 46.78 1ipe h GLY 164 CO 0.13 0.08 -0.95 0.00 0.00 0.00 0.00 176.54 175.80 1ipe h ALA 165 N 1.72 0.32 -0.36 3.60 0.00 -1.40 -3.14 119.26 120.00 1ipe h ALA 165 Ca 0.03 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 1ipe h ALA 165 Cb 0.35 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ipe h ALA 165 CO 0.02 0.78 0.22 1.98 0.00 0.00 0.00 179.25 182.26 1ipe h MET 166 N 0.28 0.49 -1.00 0.00 -1.53 -0.97 -2.25 114.93 109.94 1ipe h MET 166 Ca -0.09 -0.04 0.14 0.00 -3.44 0.00 0.00 59.70 56.27 1ipe h MET 166 Cb 1.59 -0.10 -0.09 0.00 -0.55 0.00 0.00 31.60 32.45 1ipe h MET 166 CO 0.17 0.36 0.62 -0.44 0.14 0.00 0.00 176.91 177.77 1ipe h ASP 167 N 0.47 0.89 -0.08 1.39 3.45 -0.66 -2.32 116.42 119.57 1ipe h ASP 167 Ca 0.13 0.06 -0.23 0.00 0.43 0.00 0.00 57.03 57.43 1ipe h ASP 167 Cb -0.00 -0.11 0.01 0.00 -0.56 0.00 0.00 39.33 38.67 1ipe h ASP 167 CO -0.02 0.43 -0.83 -0.61 -1.57 0.00 0.00 179.24 176.64 1ipe h GLN 168 N 0.93 0.70 -1.00 3.56 5.75 -1.43 -2.96 115.11 120.67 1ipe h GLN 168 Ca 0.52 -0.65 0.11 0.00 -0.15 0.00 0.00 58.65 58.48 1ipe h GLN 168 Cb 0.59 0.16 -0.08 0.00 1.07 0.00 0.00 27.48 29.22 1ipe h GLN 168 CO -0.30 1.25 0.63 1.25 -2.65 0.00 0.00 178.83 179.01 1ipe h LEU 169 N 0.38 0.93 0.16 -2.39 5.85 -1.08 -2.09 115.31 117.07 1ipe h LEU 169 Ca -0.08 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1ipe h LEU 169 Cb 1.48 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 1ipe h LEU 169 CO 0.17 0.52 -0.33 0.74 -0.34 0.00 0.00 178.44 179.19 1ipe h THR 170 N 1.01 0.30 -0.63 1.05 2.02 -1.32 0.21 112.91 115.55 1ipe h THR 170 Ca 0.48 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.73 1ipe h THR 170 Cb 0.44 0.30 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 1ipe h THR 170 CO -0.24 0.00 0.32 0.03 0.37 0.00 0.00 175.52 176.00 1ipe h ARG 171 N -0.59 0.57 0.25 6.66 3.08 -1.26 -2.32 114.38 120.78 1ipe h ARG 171 Ca 0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1ipe h ARG 171 Cb 0.60 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1ipe h ARG 171 CO -0.17 0.37 -0.12 0.00 -1.07 0.00 0.00 179.97 178.98 1ipe h LEU 173 N -0.75 0.00 -0.96 0.00 3.38 -0.48 0.20 115.31 116.70 1ipe h LEU 173 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1ipe h LEU 173 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1ipe h LEU 173 CO 0.06 0.00 0.19 0.00 0.09 0.00 0.00 178.44 178.78 1ipe h ALA 174 N 1.43 1.16 0.08 1.53 0.00 -1.34 -0.28 119.26 121.84 1ipe h ALA 174 Ca 0.30 -0.20 -0.30 0.00 0.00 0.00 0.00 54.91 54.71 1ipe h ALA 174 Cb 1.48 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1ipe h ALA 174 CO -0.00 0.58 -1.60 0.74 0.00 0.00 0.00 179.25 178.97 1ipe h PHE 175 N 0.92 0.29 0.00 0.00 0.04 -0.74 -2.96 116.94 114.50 1ipe h PHE 175 Ca 0.21 -0.21 -0.13 0.00 2.80 0.00 0.00 57.97 60.63 1ipe h PHE 175 Cb 0.27 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 1ipe h PHE 175 CO 0.02 1.30 -0.63 0.93 -0.60 0.00 0.00 178.31 179.33 1ipe h GLU 176 N 0.04 0.00 -0.38 1.51 5.08 -1.04 -3.24 114.58 116.56 1ipe h GLU 176 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1ipe h GLU 176 Cb 2.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.25 1ipe h GLU 176 CO 0.13 0.63 0.00 0.91 -1.00 0.00 0.00 179.01 179.68 1ipe n TRP 177 N -3.74 0.50 -0.15 4.33 8.01 -0.13 -4.63 117.44 121.63 1ipe n TRP 177 Ca -0.01 -0.48 -0.03 0.00 -1.31 0.00 0.00 57.50 55.68 1ipe n TRP 177 Cb 0.64 -0.02 0.05 0.00 -2.01 0.00 0.00 31.31 29.97 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 2.31 0.45 0.00 6.99 0.00 -1.54 0.24 119.26 127.70 1ipe h ALA 178 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ipe h ALA 178 Cb 0.75 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ipe h ALA 178 CO 0.00 -0.39 0.00 0.36 0.00 0.00 0.00 179.25 179.22 1ipe n LYS 179 N -5.22 0.07 -0.16 0.00 2.85 -1.26 -2.22 118.16 112.22 1ipe n LYS 179 Ca 0.05 0.30 0.10 0.00 -1.05 0.00 0.00 58.31 57.71 1ipe n LYS 179 Cb 0.25 -1.64 0.28 0.00 -0.65 0.00 0.00 35.03 33.27 1ipe n LYS 179 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1ipe n ASP 180 N -1.78 2.36 -0.78 -5.58 8.00 0.06 -4.93 116.55 113.91 1ipe n ASP 180 Ca 0.03 -1.88 -0.09 0.00 0.71 0.00 0.00 54.79 53.56 1ipe n ASP 180 Cb 0.20 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 1ipe n ASP 180 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ipe n ASN 181 N 0.78 -3.97 -4.54 -2.24 5.03 -0.94 -4.58 115.26 104.79 1ipe n ASN 181 Ca 0.17 0.19 -0.34 0.00 0.87 0.00 0.00 54.58 55.47 1ipe n ASN 181 Cb 0.41 -2.45 -0.12 0.00 -1.02 0.00 0.00 39.78 36.60 1ipe n ASN 181 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ipe s ILE 182 N -2.37 3.91 -0.17 2.41 1.01 -1.16 -2.54 121.20 122.29 1ipe s ILE 182 Ca 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 1ipe s ILE 182 Cb 0.00 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 1ipe s ILE 182 CO 0.00 0.53 0.00 -0.13 0.00 0.00 0.00 174.94 175.34 1ipe s ARG 183 N -0.08 3.77 -0.17 2.79 0.52 -1.08 -4.24 118.95 120.47 1ipe s ARG 183 Ca 0.02 -0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 54.76 1ipe s ARG 183 Cb -0.13 -3.04 -0.00 0.00 0.52 0.00 0.00 34.95 32.30 1ipe s ARG 183 CO 0.03 0.23 -0.13 0.08 0.02 0.00 0.00 175.30 175.53 1ipe s VAL 184 N 0.43 2.79 0.08 3.52 1.01 -1.26 -1.66 120.40 125.30 1ipe s VAL 184 Ca -0.01 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1ipe s VAL 184 Cb -0.14 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1ipe s VAL 184 CO 0.02 0.50 -0.06 0.20 0.00 0.00 0.00 175.10 175.76 1ipe s ASN 185 N 0.99 0.92 0.05 3.32 0.01 -0.88 0.13 114.94 119.49 1ipe s ASN 185 Ca -0.02 -0.91 0.09 0.00 -0.71 0.00 0.00 52.86 51.32 1ipe s ASN 185 Cb -0.15 0.11 -0.03 0.00 0.41 0.00 0.00 41.25 41.59 1ipe s ASN 185 CO -0.02 -0.44 -0.26 -0.83 -1.51 0.00 0.00 177.10 174.03 1ipe s GLY 186 N -2.71 1.44 -0.18 0.66 0.00 0.19 -2.20 107.32 104.53 1ipe s GLY 186 Ca 0.06 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.50 1ipe s GLY 186 CO -0.05 -1.19 -0.14 0.14 0.00 0.00 0.00 173.10 171.87 1ipe s VAL 187 N -0.84 1.76 -0.47 1.40 1.01 -0.23 -0.64 120.40 122.39 1ipe s VAL 187 Ca 0.12 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 1ipe s VAL 187 Cb -0.10 -1.72 0.06 0.00 0.00 0.00 0.00 36.38 34.63 1ipe s VAL 187 CO 0.03 0.33 0.42 -0.83 0.00 0.00 0.00 175.10 175.05 1ipe s GLY 188 N 1.38 2.00 0.50 4.51 0.00 0.14 -1.28 107.32 114.56 1ipe s GLY 188 Ca 0.02 -1.99 -0.20 0.00 0.00 0.00 0.00 44.72 42.54 1ipe s GLY 188 CO -0.10 1.11 1.06 -4.14 0.00 0.00 0.00 173.10 171.03 1ipe s PRO 189 N 1.81 3.72 0.00 2.90 0.02 -1.26 -1.14 135.00 141.06 1ipe s PRO 189 Ca 0.06 1.41 0.00 0.00 0.02 0.00 0.00 61.00 62.49 1ipe s PRO 189 Cb -0.23 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.21 1ipe s PRO 189 CO 0.08 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 1ipe n GLY 190 N -0.16 0.86 2.66 0.52 0.00 -0.87 -2.80 105.19 105.41 1ipe n GLY 190 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -0.14 -0.08 1.61 1.01 -1.26 -4.78 120.40 116.75 1ipe s VAL 191 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1ipe s VAL 191 Cb 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 1ipe s VAL 191 CO 0.00 -0.13 -0.23 -0.63 0.00 0.00 0.00 175.10 174.11 1ipe s ILE 192 N 2.18 2.17 -1.05 2.22 -1.09 -1.26 -0.59 121.20 123.79 1ipe s ILE 192 Ca 0.03 -1.00 -0.25 0.00 -2.23 0.00 0.00 60.65 57.21 1ipe s ILE 192 Cb -0.15 -1.82 -0.12 0.00 -1.58 0.00 0.00 42.46 38.79 1ipe s ILE 192 CO -0.08 0.56 2.05 0.00 -1.23 0.00 0.00 174.94 176.25 1ipe s ALA 193 N 0.08 1.25 0.15 9.38 0.00 -0.71 -4.74 121.76 127.18 1ipe s ALA 193 Ca -0.11 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.20 1ipe s ALA 193 Cb -0.16 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.32 1ipe s ALA 193 CO 0.06 -5.72 0.04 0.25 0.00 0.00 0.00 175.76 170.39 1ipe n THR 194 N 8.29 0.00 0.09 0.00 -2.24 -1.26 -4.72 114.28 114.44 1ipe n THR 194 Ca 0.43 -0.68 -0.05 0.00 -2.27 0.00 0.00 64.05 61.48 1ipe n THR 194 Cb 0.46 -0.03 0.11 0.00 -2.10 0.00 0.00 70.33 68.78 1ipe n THR 194 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ipe h SER 195 N 0.30 0.25 0.02 3.42 4.64 -1.94 -2.95 113.55 117.29 1ipe h SER 195 Ca -0.12 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 1ipe h SER 195 Cb 0.37 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1ipe h SER 195 CO 0.19 0.82 -0.08 0.25 -0.87 0.00 0.00 176.83 177.13 1ipe h LEU 196 N 0.16 0.15 0.02 5.97 6.46 -1.96 -2.28 115.31 123.83 1ipe h LEU 196 Ca -0.01 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1ipe h LEU 196 Cb 1.14 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1ipe h LEU 196 CO 0.10 0.26 -0.01 0.58 -0.62 0.00 0.00 178.44 178.74 1ipe h VAL 197 N 0.16 1.46 -0.62 1.05 2.07 -1.81 -2.94 116.25 115.62 1ipe h VAL 197 Ca 0.04 -1.61 0.02 0.00 0.82 0.00 0.00 66.70 65.96 1ipe h VAL 197 Cb 0.25 2.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 1ipe h VAL 197 CO 0.01 0.41 0.41 1.05 0.02 0.00 0.00 177.57 179.47 1ipe h GLU 198 N -0.74 0.77 -0.11 1.57 4.11 -1.41 0.22 114.58 118.99 1ipe h GLU 198 Ca -0.00 -0.05 -0.06 0.00 0.07 0.00 0.00 59.36 59.32 1ipe h GLU 198 Cb 0.69 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1ipe h GLU 198 CO 0.00 0.51 -0.21 0.00 0.07 0.00 0.00 179.01 179.38 1ipe h MET 199 N 0.79 0.19 0.17 1.06 -0.00 -1.50 -2.66 114.93 112.98 1ipe h MET 199 Ca 0.24 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.70 59.88 1ipe h MET 199 Cb -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.56 1ipe h MET 199 CO -0.06 0.40 -0.08 1.15 -0.00 0.00 0.00 176.91 178.32 1ipe h THR 200 N 0.17 0.94 0.00 -0.10 2.02 -0.48 -3.06 112.91 112.41 1ipe h THR 200 Ca 0.03 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1ipe h THR 200 Cb 0.48 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1ipe h THR 200 CO 0.03 0.19 0.00 2.30 0.37 0.00 0.00 175.52 178.41 1ipe n ILE 201 N -5.00 1.77 -0.20 3.11 -5.35 0.03 -1.34 119.36 112.38 1ipe n ILE 201 Ca -0.09 0.49 0.05 0.00 -0.27 0.00 0.00 62.75 62.93 1ipe n ILE 201 Cb 0.25 -1.46 0.32 0.00 -1.74 0.00 0.00 39.64 37.01 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 0.00 0.82 -6.28 6.28 1.08 -1.36 -3.40 115.11 112.25 1ipe h GLN 202 Ca 0.00 -0.05 -0.56 0.00 -1.45 0.00 0.00 58.65 56.59 1ipe h GLN 202 Cb 0.04 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 1ipe h GLN 202 CO 0.00 0.54 0.61 0.34 -0.95 0.00 0.00 178.83 179.37 1ipe s ASP 203 N -6.21 7.19 0.00 1.46 -1.08 -0.45 -4.92 116.67 112.65 1ipe s ASP 203 Ca -0.10 1.62 0.08 0.00 -0.52 0.00 0.00 52.55 53.62 1ipe s ASP 203 Cb 0.19 -2.56 0.46 0.00 -1.46 0.00 0.00 42.92 39.55 1ipe s ASP 203 CO 0.78 -0.49 0.87 -2.65 0.52 0.00 0.00 175.17 174.20 1ipe n PRO 204 N 5.06 0.34 -0.01 4.34 -0.02 -1.26 0.08 135.00 143.53 1ipe n PRO 204 Ca 0.09 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.57 1ipe n PRO 204 Cb 0.48 -1.35 -0.01 0.00 -0.02 0.00 0.00 33.50 32.60 1ipe n PRO 204 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1ipe n GLU 205 N -0.85 2.50 0.11 -0.52 2.13 -1.26 -4.01 120.64 118.73 1ipe n GLU 205 Ca 0.06 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.85 1ipe n GLU 205 Cb 0.03 -1.03 0.08 0.00 0.27 0.00 0.00 31.44 30.79 1ipe n GLU 205 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1ipe h GLN 206 N 0.00 0.02 -0.13 5.31 1.08 -1.65 -0.85 115.11 118.90 1ipe h GLN 206 Ca -0.03 -0.02 -0.16 0.00 -1.45 0.00 0.00 58.65 56.99 1ipe h GLN 206 Cb 1.06 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 1ipe h GLN 206 CO -0.00 0.74 -0.61 -0.22 -0.95 0.00 0.00 178.83 177.80 1ipe h LYS 207 N 0.01 0.43 -0.02 1.46 3.64 -0.51 -1.35 116.57 120.23 1ipe h LYS 207 Ca -0.01 -0.29 -0.18 0.00 -1.27 0.00 0.00 60.65 58.90 1ipe h LYS 207 Cb 1.30 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1ipe h LYS 207 CO 0.10 0.90 -0.78 1.05 -2.27 0.00 0.00 179.45 178.45 1ipe h GLU 208 N 0.32 0.21 -0.22 1.90 4.11 -1.63 -2.74 114.58 116.53 1ipe h GLU 208 Ca -0.01 -0.19 -0.18 0.00 0.07 0.00 0.00 59.36 59.05 1ipe h GLU 208 Cb 1.14 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1ipe h GLU 208 CO 0.11 0.89 -0.58 -0.91 0.07 0.00 0.00 179.01 178.58 1ipe h ASN 209 N 0.13 0.79 0.67 3.06 2.35 -1.01 -3.22 115.58 118.34 1ipe h ASN 209 Ca -0.03 -0.44 -0.10 0.00 -0.55 0.00 0.00 56.30 55.18 1ipe h ASN 209 Cb 1.36 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 1ipe h ASN 209 CO 0.12 1.20 -0.47 0.25 -1.65 0.00 0.00 177.43 176.88 1ipe h LEU 210 N 0.53 0.00 -0.02 1.61 5.85 -1.21 -2.72 115.31 119.34 1ipe h LEU 210 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ipe h LEU 210 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1ipe h LEU 210 CO 0.12 0.47 0.00 0.59 -0.34 0.00 0.00 178.44 179.28 1ipe n ASN 211 N -3.73 0.24 0.09 1.25 5.03 -1.04 -2.60 115.26 114.50 1ipe n ASN 211 Ca -0.01 0.53 -0.15 0.00 0.87 0.00 0.00 54.58 55.82 1ipe n ASN 211 Cb 0.53 -0.59 -0.14 0.00 -1.02 0.00 0.00 39.78 38.56 1ipe n ASN 211 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 1ipe h LYS 212 N 0.00 0.22 -0.16 3.52 1.57 -1.52 -2.81 116.57 117.40 1ipe h LYS 212 Ca 0.00 -0.38 -0.22 0.00 -1.87 0.00 0.00 60.65 58.18 1ipe h LYS 212 Cb 0.54 0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.00 1ipe h LYS 212 CO 0.00 1.14 -0.77 -0.07 -0.57 0.00 0.00 179.45 179.18 1ipe h LEU 213 N 0.06 0.96 -0.67 2.94 3.38 -1.47 -2.77 115.31 117.75 1ipe h LEU 213 Ca -0.14 -0.62 -0.13 0.00 0.09 0.00 0.00 57.88 57.07 1ipe h LEU 213 Cb 1.95 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 1ipe h LEU 213 CO 0.18 1.43 -0.39 0.40 0.09 0.00 0.00 178.44 180.15 1ipe h ILE 214 N 0.55 1.30 0.00 1.22 2.04 -1.59 -2.12 117.51 118.91 1ipe h ILE 214 Ca -0.05 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.26 1ipe h ILE 214 Cb 1.41 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 1ipe h ILE 214 CO 0.16 0.49 0.00 0.47 0.00 0.00 0.00 178.15 179.27 1ipe n ASP 215 N -4.04 0.00 -0.88 1.72 10.43 -1.06 -2.33 116.55 120.40 1ipe n ASP 215 Ca -0.02 0.06 0.10 0.00 2.57 0.00 0.00 54.79 57.51 1ipe n ASP 215 Cb 0.51 -0.32 0.12 0.00 1.84 0.00 0.00 41.12 43.27 1ipe n ASP 215 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1ipe n ARG 216 N -1.32 1.99 -2.42 -1.24 1.74 -0.81 -4.96 116.66 109.63 1ipe n ARG 216 Ca 0.10 -1.85 -0.26 0.00 -0.77 0.00 0.00 57.85 55.06 1ipe n ARG 216 Cb 0.19 -1.41 0.03 0.00 -1.02 0.00 0.00 32.46 30.26 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 -0.14 -0.02 0.00 0.00 0.00 -1.15 -3.24 119.26 114.70 1ipe h ALA 218 Ca -0.45 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 53.72 1ipe h ALA 218 Cb 1.25 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1ipe h ALA 218 CO 0.60 0.59 -0.11 1.28 0.00 0.00 0.00 179.25 181.62 1ipe n LEU 219 N -3.90 0.60 -3.75 0.00 4.77 -1.05 -4.96 117.00 108.71 1ipe n LEU 219 Ca -0.14 0.49 -0.25 0.00 -0.03 0.00 0.00 56.01 56.08 1ipe n LEU 219 Cb 0.93 -0.34 0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1ipe n LEU 219 CO 0.55 -0.11 0.05 0.54 -1.33 0.00 0.00 177.39 177.09 1ipe n ARG 220 N -2.03 -5.61 -3.78 3.23 1.74 -1.23 -4.97 116.66 104.01 1ipe n ARG 220 Ca 0.06 0.65 -0.05 0.00 -0.77 0.00 0.00 57.85 57.74 1ipe n ARG 220 Cb 0.41 -5.42 -0.02 0.00 -1.02 0.00 0.00 32.46 26.41 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 -6.21 1.38 0.40 5.56 1.70 -1.25 -4.88 118.95 115.65 1ipe s ARG 221 Ca 0.31 -0.76 -0.12 0.00 -0.47 0.00 0.00 55.73 54.69 1ipe s ARG 221 Cb -0.15 0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 34.63 1ipe s ARG 221 CO 0.80 -0.63 0.78 -1.64 -1.08 0.00 0.00 175.30 173.53 1ipe s MET 222 N -3.49 3.84 0.86 3.89 -1.94 -1.26 -4.94 119.30 116.25 1ipe s MET 222 Ca 0.12 0.55 -0.10 0.00 -1.71 0.00 0.00 55.69 54.55 1ipe s MET 222 Cb -0.03 -2.38 0.16 0.00 2.01 0.00 0.00 34.83 34.60 1ipe s MET 222 CO 0.04 -0.02 1.19 0.20 -0.01 0.00 0.00 175.02 176.41 1ipe s GLY 223 N -2.98 1.76 0.05 -0.03 0.00 0.25 -4.81 107.32 101.55 1ipe s GLY 223 Ca 0.52 -1.33 0.06 0.00 0.00 0.00 0.00 44.72 43.98 1ipe s GLY 223 CO 0.29 -0.66 -0.14 -0.54 0.00 0.00 0.00 173.10 172.04 1ipe s GLU 224 N -5.59 2.17 0.37 2.90 0.41 -1.26 -1.74 118.70 115.96 1ipe s GLU 224 Ca 0.70 -0.94 0.17 0.00 -0.41 0.00 0.00 54.97 54.49 1ipe s GLU 224 Cb -0.05 -2.27 1.10 0.00 -1.78 0.00 0.00 34.13 31.13 1ipe s GLU 224 CO 0.49 0.55 1.71 -1.35 -0.49 0.00 0.00 175.26 176.17 1ipe h PRO 225 N 4.35 0.36 0.00 0.39 0.11 -1.89 0.34 132.00 135.66 1ipe h PRO 225 Ca -0.48 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1ipe h PRO 225 Cb 1.16 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1ipe h PRO 225 CO 0.50 0.24 -0.42 1.57 -0.21 0.00 0.00 178.00 179.68 1ipe h LYS 226 N 0.37 0.00 0.00 1.05 2.10 -1.93 0.33 116.57 118.49 1ipe h LYS 226 Ca 0.68 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 59.21 1ipe h LYS 226 Cb 1.65 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.96 1ipe h LYS 226 CO -0.44 0.42 -0.57 0.93 -2.00 0.00 0.00 179.45 177.79 1ipe h GLU 227 N 0.00 0.00 0.07 0.07 5.08 -0.74 -2.53 114.58 116.53 1ipe h GLU 227 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1ipe h GLU 227 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1ipe h GLU 227 CO 0.05 0.57 -0.64 1.25 -1.00 0.00 0.00 179.01 179.24 1ipe h LEU 228 N 0.00 0.22 -2.09 1.33 7.12 -1.06 -3.32 115.31 117.50 1ipe h LEU 228 Ca -0.01 -0.90 0.08 0.00 0.13 0.00 0.00 57.88 57.18 1ipe h LEU 228 Cb 1.14 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.18 1ipe h LEU 228 CO 0.07 1.29 0.23 0.00 -0.13 0.00 0.00 178.44 179.90 1ipe h ALA 229 N -0.04 2.11 -0.85 1.25 0.00 -0.34 -1.64 119.26 119.76 1ipe h ALA 229 Ca -0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ipe h ALA 229 Cb 1.37 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1ipe h ALA 229 CO 0.03 -0.38 0.49 0.00 0.00 0.00 0.00 179.25 179.40 1ipe h ALA 230 N 1.80 1.27 -0.28 0.00 0.00 -1.55 -0.37 119.26 120.13 1ipe h ALA 230 Ca 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ipe h ALA 230 Cb 0.60 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ipe h ALA 230 CO -0.00 0.61 0.03 1.98 0.00 0.00 0.00 179.25 181.87 1ipe h MET 231 N 1.17 0.47 -0.48 0.00 -1.53 -1.45 -1.35 114.93 111.77 1ipe h MET 231 Ca 0.30 -0.14 0.04 0.00 -3.44 0.00 0.00 59.70 56.47 1ipe h MET 231 Cb -0.02 -0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 30.94 1ipe h MET 231 CO -0.05 0.60 0.23 0.28 0.14 0.00 0.00 176.91 178.11 1ipe h VAL 232 N 0.27 0.94 -0.01 -5.77 2.07 -1.49 -2.19 116.25 110.08 1ipe h VAL 232 Ca 0.08 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1ipe h VAL 232 Cb 0.37 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1ipe h VAL 232 CO 0.01 0.08 -0.01 0.00 0.02 0.00 0.00 177.57 177.67 1ipe h ALA 233 N 1.27 -0.00 -0.44 1.67 0.00 -0.86 -2.88 119.26 118.01 1ipe h ALA 233 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1ipe h ALA 233 Cb 0.14 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1ipe h ALA 233 CO -0.16 -0.51 0.14 0.35 0.00 0.00 0.00 179.25 179.07 1ipe h PHE 234 N -0.02 0.24 -0.13 0.00 3.57 -1.02 -1.65 116.94 117.93 1ipe h PHE 234 Ca 0.01 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1ipe h PHE 234 Cb 0.03 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1ipe h PHE 234 CO -0.09 0.07 0.22 -0.07 -2.23 0.00 0.00 178.31 176.21 1ipe h LEU 235 N 0.30 0.00 0.00 0.59 3.38 -1.18 -0.21 115.31 118.19 1ipe h LEU 235 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1ipe h LEU 235 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1ipe h LEU 235 CO -0.23 0.00 -0.94 0.00 0.09 0.00 0.00 178.44 177.36 1ipe s PHE 237 N -3.25 2.04 -1.70 0.00 0.08 -0.09 -4.85 117.98 110.20 1ipe s PHE 237 Ca 0.03 1.64 0.25 0.00 0.12 0.00 0.00 56.93 58.97 1ipe s PHE 237 Cb 0.13 -3.38 1.40 0.00 -0.57 0.00 0.00 43.02 40.60 1ipe s PHE 237 CO 0.78 -2.51 1.87 -2.30 -0.10 0.00 0.00 175.22 172.96 1ipe n PRO 238 N -3.14 0.58 0.00 0.24 -0.02 -1.24 -2.86 135.00 128.55 1ipe n PRO 238 Ca 0.12 0.03 0.14 0.00 -2.02 0.00 0.00 63.50 61.77 1ipe n PRO 238 Cb 0.51 -1.50 0.59 0.00 -0.02 0.00 0.00 33.50 33.08 1ipe n PRO 238 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ipe n ALA 239 N -1.15 2.57 -1.44 3.55 0.00 -1.08 -3.45 120.51 119.51 1ipe n ALA 239 Ca 0.16 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 1ipe n ALA 239 Cb 0.15 -1.41 0.16 0.00 0.00 0.00 0.00 19.45 18.35 1ipe n ALA 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ipe n ALA 240 N -1.41 4.99 0.31 0.00 0.00 -1.14 -4.76 120.51 118.51 1ipe n ALA 240 Ca 0.09 -3.19 0.19 0.00 0.00 0.00 0.00 53.44 50.53 1ipe n ALA 240 Cb 0.32 -1.02 1.02 0.00 0.00 0.00 0.00 19.45 19.77 1ipe n ALA 240 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ipe h SER 241 N 1.23 0.00 -0.07 0.00 4.64 -1.78 -2.15 113.55 115.42 1ipe h SER 241 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1ipe h SER 241 Cb 1.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 1ipe h SER 241 CO 0.76 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.72 1ipe n TYR 242 N -3.17 0.07 -3.36 4.77 9.36 -1.26 -4.91 117.16 118.66 1ipe n TYR 242 Ca -0.02 -0.04 -0.41 0.00 3.32 0.00 0.00 57.90 60.75 1ipe n TYR 242 Cb 0.21 -0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 38.83 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 -1.55 5.13 -0.11 2.97 1.01 -0.81 -5.05 120.40 122.00 1ipe s VAL 243 Ca 0.24 0.22 -0.25 0.00 0.00 0.00 0.00 61.98 62.19 1ipe s VAL 243 Cb 0.16 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 32.77 1ipe s VAL 243 CO 0.24 -0.08 0.59 0.28 0.00 0.00 0.00 175.10 176.13 1ipe s THR 244 N 2.12 0.01 -0.77 3.92 -1.32 -1.26 -4.78 115.64 113.56 1ipe s THR 244 Ca 0.14 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 1ipe s THR 244 Cb -0.16 -0.88 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 1ipe s THR 244 CO 0.12 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 1ipe n GLY 245 N 1.62 0.62 3.69 6.08 0.00 0.35 -4.96 105.19 112.60 1ipe n GLY 245 Ca -0.18 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.33 2.84 -0.37 1.61 -1.52 -1.25 -4.69 119.66 112.94 1ipe s GLN 246 Ca 0.00 -0.58 -0.04 0.00 -1.95 0.00 0.00 55.36 52.79 1ipe s GLN 246 Cb 0.00 -2.70 0.08 0.00 -0.22 0.00 0.00 33.01 30.16 1ipe s GLN 246 CO 0.00 0.63 0.15 0.42 -0.25 0.00 0.00 175.29 176.24 1ipe s ILE 247 N -1.08 3.47 -0.12 1.08 -1.09 -1.26 0.57 121.20 122.77 1ipe s ILE 247 Ca 0.19 -1.63 -0.02 0.00 -2.23 0.00 0.00 60.65 56.96 1ipe s ILE 247 Cb -0.12 -3.17 -0.03 0.00 -1.58 0.00 0.00 42.46 37.56 1ipe s ILE 247 CO 0.10 -0.44 -0.02 -0.63 -1.23 0.00 0.00 174.94 172.72 1ipe s ILE 248 N 1.26 4.05 -0.15 2.92 1.01 0.18 -4.92 121.20 125.55 1ipe s ILE 248 Ca 0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 1ipe s ILE 248 Cb -0.22 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 1ipe s ILE 248 CO -0.01 0.55 0.07 -0.31 0.00 0.00 0.00 174.94 175.24 1ipe s TYR 249 N -0.28 3.32 -0.86 3.97 1.51 -1.26 0.23 117.35 123.98 1ipe s TYR 249 Ca 0.05 0.21 -0.01 0.00 -1.01 0.00 0.00 57.07 56.32 1ipe s TYR 249 Cb -0.12 -2.00 0.21 0.00 -0.11 0.00 0.00 41.96 39.93 1ipe s TYR 249 CO 0.02 0.35 0.73 0.08 -1.11 0.00 0.00 175.55 175.62 1ipe s VAL 250 N -0.15 4.15 -0.07 0.71 1.01 -0.29 -4.83 120.40 120.92 1ipe s VAL 250 Ca 0.08 -3.90 0.11 0.00 0.00 0.00 0.00 61.98 58.27 1ipe s VAL 250 Cb -0.12 -3.59 0.17 0.00 0.00 0.00 0.00 36.38 32.83 1ipe s VAL 250 CO 0.01 -1.07 1.06 -0.90 0.00 0.00 0.00 175.10 174.20 1ipe n ASP 251 N 2.31 1.51 -1.40 3.32 5.68 -1.26 -2.04 116.55 124.67 1ipe n ASP 251 Ca 0.21 -2.58 -0.16 0.00 -0.50 0.00 0.00 54.79 51.76 1ipe n ASP 251 Cb 0.37 -0.31 -0.07 0.00 -1.14 0.00 0.00 41.12 39.97 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 -0.87 1.49 0.00 6.12 0.00 -1.26 -1.79 105.19 108.89 1ipe n GLY 252 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.25 1.18 0.36 -0.02 0.00 -1.26 -0.69 105.19 104.51 1ipe n GLY 253 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.25 -0.58 0.99 5.85 -1.56 -2.16 115.31 116.61 1ipe h LEU 254 Ca 0.00 0.26 0.12 0.00 0.84 0.00 0.00 57.88 59.09 1ipe h LEU 254 Cb 0.00 0.64 -0.11 0.00 0.37 0.00 0.00 40.66 41.55 1ipe h LEU 254 CO 0.00 -0.30 -0.16 0.24 -0.34 0.00 0.00 178.44 177.88 1ipe h MET 255 N -0.11 -0.02 0.00 1.25 2.86 -1.91 -2.07 114.93 114.94 1ipe h MET 255 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1ipe h MET 255 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1ipe h MET 255 CO -0.79 -0.01 0.00 0.00 1.06 0.00 0.00 176.91 177.17 1ipe n ALA 256 N -3.00 1.69 -1.89 6.32 0.00 -0.82 -4.87 120.51 117.95 1ipe n ALA 256 Ca 0.06 -0.03 -0.38 0.00 0.00 0.00 0.00 53.44 53.09 1ipe n ALA 256 Cb 0.31 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 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 -3.20 7.38 0.08 0.00 2.47 -0.78 -4.97 114.94 115.92 1ipe s ASN 257 Ca 0.07 1.74 0.00 0.00 0.42 0.00 0.00 52.86 55.09 1ipe s ASN 257 Cb 0.10 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 1ipe s ASN 257 CO 0.30 0.09 0.00 0.00 -3.72 0.00 0.00 177.10 173.76 1ipe n GLY 259 N 2.43 2.63 0.49 0.00 0.00 -1.26 -5.23 105.19 104.25 1ipe n GLY 259 Ca 0.00 -0.56 0.14 0.00 0.00 0.00 0.00 46.02 45.60 1ipe n GLY 259 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01