#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ivz s SER 2 N 0.00 4.29 0.00 1.61 0.01 -1.26 -4.87 113.70 113.48 1ivz s SER 2 Ca 0.00 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1ivz s SER 2 Cb 0.00 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.25 1ivz s SER 2 CO 0.00 0.35 0.00 -1.20 0.41 0.00 0.00 173.24 172.80 1ivz n SER 3 N 2.27 0.00 -0.54 2.44 7.64 -1.26 -4.68 113.62 119.49 1ivz n SER 3 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1ivz n SER 3 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1ivz n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ivz n GLY 4 N 0.00 -0.89 0.01 0.23 0.00 -1.26 -5.07 105.19 98.21 1ivz n GLY 4 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.46 1ivz n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ivz n SER 5 N -0.04 3.79 -3.07 1.61 3.41 -1.26 -5.06 113.62 112.99 1ivz n SER 5 Ca 0.00 -0.01 -0.11 0.00 -0.26 0.00 0.00 58.87 58.48 1ivz n SER 5 Cb 0.00 -0.04 0.11 0.00 -0.26 0.00 0.00 64.21 64.02 1ivz n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ivz n SER 6 N -2.58 -2.76 -2.39 4.04 3.41 -1.26 -5.03 113.62 107.05 1ivz n SER 6 Ca -0.05 -0.35 -0.03 0.00 -0.26 0.00 0.00 58.87 58.18 1ivz n SER 6 Cb 0.55 -0.37 0.07 0.00 -0.26 0.00 0.00 64.21 64.20 1ivz n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ivz n GLY 7 N -2.08 0.73 0.84 5.00 0.00 -1.26 -5.05 105.19 103.36 1ivz n GLY 7 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ivz n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ivz n SER 8 N -0.82 0.00 -3.75 1.61 2.88 -1.26 -5.17 113.62 107.11 1ivz n SER 8 Ca -0.12 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.19 1ivz n SER 8 Cb 0.74 0.21 -0.05 0.00 -0.75 0.00 0.00 64.21 64.36 1ivz n SER 8 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ivz n SER 9 N -1.65 2.48 -3.74 -3.46 7.64 -1.26 -5.11 113.62 108.52 1ivz n SER 9 Ca 0.00 -2.62 -0.28 0.00 1.01 0.00 0.00 58.87 56.98 1ivz n SER 9 Cb 0.00 0.41 -0.11 0.00 -1.01 0.00 0.00 64.21 63.49 1ivz n SER 9 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ivz s SER 10 N -2.99 3.77 0.59 6.43 0.01 -1.26 -4.94 113.70 115.31 1ivz s SER 10 Ca 0.04 -3.60 0.06 0.00 1.31 0.00 0.00 55.95 53.76 1ivz s SER 10 Cb 0.00 -1.26 0.08 0.00 0.21 0.00 0.00 66.02 65.05 1ivz s SER 10 CO 0.03 -0.11 0.81 -0.94 0.41 0.00 0.00 173.24 173.44 1ivz s SER 11 N -0.98 5.01 -0.24 2.44 1.04 -1.26 -4.26 113.70 115.44 1ivz s SER 11 Ca 0.27 -0.60 -0.19 0.00 0.48 0.00 0.00 55.95 55.91 1ivz s SER 11 Cb -0.02 -0.02 0.07 0.00 0.10 0.00 0.00 66.02 66.15 1ivz s SER 11 CO -0.17 -1.37 0.63 0.00 0.98 0.00 0.00 173.24 173.31 1ivz s GLN 12 N -4.75 0.70 -0.23 4.02 0.00 -1.26 -5.02 119.66 113.13 1ivz s GLN 12 Ca 0.62 0.97 -0.00 0.00 -0.00 0.00 0.00 55.36 56.94 1ivz s GLN 12 Cb -0.07 0.27 0.06 0.00 0.00 0.00 0.00 33.01 33.27 1ivz s GLN 12 CO 0.39 -0.11 -0.02 -1.01 0.00 0.00 0.00 175.29 174.54 1ivz s HIS 13 N 0.79 2.02 -0.31 9.60 3.76 -1.26 -2.23 115.29 127.65 1ivz s HIS 13 Ca -0.04 -1.53 -0.11 0.00 -0.15 0.00 0.00 55.06 53.24 1ivz s HIS 13 Cb -0.05 -1.45 -0.02 0.00 1.11 0.00 0.00 32.58 32.17 1ivz s HIS 13 CO -0.06 -0.74 0.19 -0.06 -0.85 0.00 0.00 174.74 173.22 1ivz s PHE 14 N 1.52 3.20 0.00 1.40 0.08 -1.06 -1.17 117.98 121.95 1ivz s PHE 14 Ca -0.04 -0.33 -0.31 0.00 0.12 0.00 0.00 56.93 56.37 1ivz s PHE 14 Cb -0.18 -2.40 -0.10 0.00 -0.57 0.00 0.00 43.02 39.77 1ivz s PHE 14 CO -0.07 -0.37 1.95 -1.71 -0.10 0.00 0.00 175.22 174.91 1ivz n ASN 15 N 5.04 3.96 -4.70 1.36 5.15 -0.23 0.10 115.26 125.94 1ivz n ASN 15 Ca -0.14 0.92 -0.36 0.00 -0.60 0.00 0.00 54.58 54.41 1ivz n ASN 15 Cb 0.50 -1.48 -0.08 0.00 -0.53 0.00 0.00 39.78 38.18 1ivz n ASN 15 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1ivz s LEU 16 N 4.32 4.17 -0.03 1.20 2.96 0.64 -2.07 118.68 129.88 1ivz s LEU 16 Ca 0.90 0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 55.06 1ivz s LEU 16 Cb -0.51 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 43.99 1ivz s LEU 16 CO 0.45 0.09 0.07 0.20 -1.32 0.00 0.00 176.35 175.84 1ivz s ASN 17 N 0.72 -0.05 -0.30 3.68 -0.87 0.10 0.42 114.94 118.64 1ivz s ASN 17 Ca 0.11 0.14 -0.18 0.00 -1.57 0.00 0.00 52.86 51.36 1ivz s ASN 17 Cb -0.13 0.10 0.18 0.00 -0.02 0.00 0.00 41.25 41.39 1ivz s ASN 17 CO 0.03 -0.06 1.21 0.72 -2.57 0.00 0.00 177.10 176.43 1ivz s PHE 18 N 0.35 -0.18 0.31 2.20 -0.71 -1.09 0.59 117.98 119.45 1ivz s PHE 18 Ca -0.03 0.22 -0.29 0.00 -1.04 0.00 0.00 56.93 55.80 1ivz s PHE 18 Cb -0.04 0.07 -0.10 0.00 -1.21 0.00 0.00 43.02 41.75 1ivz s PHE 18 CO -0.01 -0.09 1.16 0.99 -1.34 0.00 0.00 175.22 175.93 1ivz s THR 19 N 2.72 3.24 -0.08 -4.49 2.01 -1.26 -2.59 115.64 115.19 1ivz s THR 19 Ca -0.06 1.23 -0.01 0.00 0.31 0.00 0.00 61.69 63.16 1ivz s THR 19 Cb -0.07 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 1ivz s THR 19 CO -0.10 0.27 0.00 -0.63 -0.69 0.00 0.00 174.62 173.47 1ivz s ILE 20 N -1.19 4.31 -0.59 1.82 1.01 0.68 -3.27 121.20 123.96 1ivz s ILE 20 Ca 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1ivz s ILE 20 Cb -0.34 -2.82 0.49 0.00 0.01 0.00 0.00 42.46 39.80 1ivz s ILE 20 CO 0.44 0.58 1.93 0.35 0.00 0.00 0.00 174.94 178.24 1ivz n THR 21 N 2.05 3.44 -2.54 2.92 -2.24 0.17 -2.06 114.28 116.03 1ivz n THR 21 Ca -0.18 -2.88 -0.02 0.00 -2.27 0.00 0.00 64.05 58.70 1ivz n THR 21 Cb 0.54 -1.03 0.05 0.00 -2.10 0.00 0.00 70.33 67.79 1ivz n THR 21 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ivz n ASN 22 N -0.94 -0.18 -3.30 3.42 2.85 -1.22 -4.85 115.26 111.04 1ivz n ASN 22 Ca 0.60 -2.08 -0.08 0.00 -0.11 0.00 0.00 54.58 52.90 1ivz n ASN 22 Cb 0.86 0.14 -0.06 0.00 1.24 0.00 0.00 39.78 41.96 1ivz n ASN 22 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1ivz s LEU 23 N -2.48 -0.83 0.33 1.20 1.98 -1.26 -4.95 118.68 112.67 1ivz s LEU 23 Ca 0.16 -0.32 -0.28 0.00 -2.89 0.00 0.00 54.13 50.79 1ivz s LEU 23 Cb 0.31 1.16 -0.10 0.00 0.66 0.00 0.00 46.19 48.22 1ivz s LEU 23 CO -0.08 -0.35 1.25 -2.16 -1.89 0.00 0.00 176.35 173.12 1ivz s PRO 24 N 2.56 4.36 -0.42 0.98 0.04 -1.14 -3.74 135.00 137.64 1ivz s PRO 24 Ca 0.10 2.09 -0.16 0.00 0.04 0.00 0.00 61.00 63.07 1ivz s PRO 24 Cb -0.12 -3.04 0.03 0.00 0.04 0.00 0.00 34.50 31.41 1ivz s PRO 24 CO -0.29 -0.14 0.36 -0.47 0.04 0.00 0.00 177.00 176.51 1ivz s TYR 25 N -1.18 3.21 0.00 0.56 6.14 -1.25 -4.92 117.35 119.91 1ivz s TYR 25 Ca 0.49 -0.55 0.00 0.00 0.64 0.00 0.00 57.07 57.65 1ivz s TYR 25 Cb -0.37 -2.78 0.00 0.00 0.42 0.00 0.00 41.96 39.23 1ivz s TYR 25 CO 0.49 -0.66 0.00 0.45 0.64 0.00 0.00 175.55 176.47 1ivz n SER 26 N 5.34 1.41 0.11 4.32 2.88 -1.26 -4.93 113.62 121.48 1ivz n SER 26 Ca -0.10 -0.96 0.02 0.00 -1.33 0.00 0.00 58.87 56.50 1ivz n SER 26 Cb 0.47 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.31 1ivz n SER 26 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1ivz h GLN 27 N 0.00 0.27 -0.54 -1.46 4.20 -2.00 -2.76 115.11 112.83 1ivz h GLN 27 Ca 0.00 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1ivz h GLN 27 Cb 0.00 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1ivz h GLN 27 CO 0.00 0.39 0.35 -0.44 -0.67 0.00 0.00 178.83 178.47 1ivz h ASP 28 N 0.25 0.61 0.46 1.46 5.19 -1.96 -0.86 116.42 121.57 1ivz h ASP 28 Ca 0.05 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1ivz h ASP 28 Cb 0.37 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1ivz h ASP 28 CO 0.02 0.44 0.00 -0.38 -3.12 0.00 0.00 179.24 176.20 1ivz n ILE 29 N -4.72 0.98 0.09 0.35 2.08 -1.05 -1.78 119.36 115.31 1ivz n ILE 29 Ca 0.03 0.39 0.07 0.00 0.56 0.00 0.00 62.75 63.81 1ivz n ILE 29 Cb 0.02 -1.33 -0.02 0.00 -0.75 0.00 0.00 39.64 37.57 1ivz n ILE 29 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ivz h ALA 30 N 2.20 0.58 -3.55 -1.39 0.00 -1.13 -3.44 119.26 112.53 1ivz h ALA 30 Ca 0.00 -0.30 -0.68 0.00 0.00 0.00 0.00 54.91 53.93 1ivz h ALA 30 Cb 0.23 0.09 -0.34 0.00 0.00 0.00 0.00 17.79 17.76 1ivz h ALA 30 CO 0.00 0.33 -0.70 -0.65 0.00 0.00 0.00 179.25 178.22 1ivz s GLN 31 N -3.20 2.25 0.58 0.00 -1.52 -0.73 -4.98 119.66 112.07 1ivz s GLN 31 Ca -0.01 -1.41 0.29 0.00 -1.95 0.00 0.00 55.36 52.28 1ivz s GLN 31 Cb 0.09 -3.18 1.49 0.00 -0.22 0.00 0.00 33.01 31.19 1ivz s GLN 31 CO 0.79 -0.69 1.93 -1.35 -0.25 0.00 0.00 175.29 175.71 1ivz h PRO 32 N 7.93 0.00 -0.16 2.91 0.11 -1.85 0.22 132.00 141.15 1ivz h PRO 32 Ca -0.18 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.98 1ivz h PRO 32 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1ivz h PRO 32 CO 0.54 0.00 0.12 1.03 -0.21 0.00 0.00 178.00 179.48 1ivz h SER 33 N 0.00 0.00 -4.20 -2.05 0.87 -1.93 -3.41 113.55 102.84 1ivz h SER 33 Ca 0.22 -0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.30 1ivz h SER 33 Cb 1.13 -0.00 0.13 0.00 -0.44 0.00 0.00 62.40 63.22 1ivz h SER 33 CO -0.00 0.00 0.30 0.42 -0.53 0.00 0.00 176.83 177.02 1ivz s THR 34 N -5.06 2.73 0.03 2.23 -4.23 0.07 -4.99 115.64 106.43 1ivz s THR 34 Ca -0.05 0.24 -0.01 0.00 -1.18 0.00 0.00 61.69 60.69 1ivz s THR 34 Cb 0.18 -2.89 -0.27 0.00 1.34 0.00 0.00 72.50 70.86 1ivz s THR 34 CO 0.69 -0.31 0.97 0.74 -0.54 0.00 0.00 174.62 176.17 1ivz h THR 35 N -1.33 1.30 -0.71 3.99 2.02 -1.86 -3.30 112.91 113.02 1ivz h THR 35 Ca -0.49 -2.94 0.16 0.00 0.77 0.00 0.00 66.41 63.91 1ivz h THR 35 Cb 1.29 2.79 -0.04 0.00 -1.74 0.00 0.00 68.15 70.45 1ivz h THR 35 CO 0.58 0.83 0.48 0.50 0.37 0.00 0.00 175.52 178.29 1ivz h LYS 36 N 0.06 0.27 0.17 6.66 3.64 -1.92 0.63 116.57 126.08 1ivz h LYS 36 Ca -0.19 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1ivz h LYS 36 Cb 1.97 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 1ivz h LYS 36 CO 0.16 0.18 -0.08 -0.92 -2.27 0.00 0.00 179.45 176.52 1ivz h TYR 37 N 0.28 -0.21 -0.79 1.91 5.03 -1.71 -3.10 116.97 118.37 1ivz h TYR 37 Ca 0.35 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.63 1ivz h TYR 37 Cb 0.96 0.07 -0.04 0.00 1.55 0.00 0.00 36.73 39.28 1ivz h TYR 37 CO -0.00 0.16 0.40 1.96 -1.32 0.00 0.00 178.16 179.36 1ivz h GLN 38 N -0.94 1.12 0.37 1.82 4.20 -1.52 -0.19 115.11 119.97 1ivz h GLN 38 Ca -0.02 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 1ivz h GLN 38 Cb 0.47 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1ivz h GLN 38 CO 0.04 0.85 -0.52 1.96 -0.67 0.00 0.00 178.83 180.49 1ivz h GLN 39 N 1.12 -0.89 -0.52 1.46 1.08 0.16 0.21 115.11 117.73 1ivz h GLN 39 Ca 0.27 0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.44 1ivz h GLN 39 Cb 0.08 0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1ivz h GLN 39 CO -0.04 -0.59 -0.04 1.15 -0.95 0.00 0.00 178.83 178.36 1ivz h THR 40 N -0.92 1.27 -0.94 -0.54 2.02 -1.48 0.55 112.91 112.86 1ivz h THR 40 Ca -0.04 -1.15 0.06 0.00 0.77 0.00 0.00 66.41 66.05 1ivz h THR 40 Cb 0.84 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 68.16 1ivz h THR 40 CO -0.14 0.40 0.62 0.50 0.37 0.00 0.00 175.52 177.26 1ivz h LYS 41 N 0.80 1.09 0.00 6.66 3.64 -0.82 -0.06 116.57 127.89 1ivz h LYS 41 Ca 0.14 -0.07 -0.23 0.00 -1.27 0.00 0.00 60.65 59.23 1ivz h LYS 41 Cb 0.57 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1ivz h LYS 41 CO 0.03 0.72 -1.21 -0.09 -2.27 0.00 0.00 179.45 176.63 1ivz h ARG 42 N 1.12 0.00 0.17 1.90 9.65 -0.43 -3.02 114.38 123.77 1ivz h ARG 42 Ca 0.40 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.27 1ivz h ARG 42 Cb 0.13 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1ivz h ARG 42 CO -0.14 0.80 -0.08 0.77 2.80 0.00 0.00 179.97 184.11 1ivz h SER 43 N 0.00 -0.19 -0.21 -3.80 0.02 -0.23 -0.62 113.55 108.52 1ivz h SER 43 Ca -0.10 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 1ivz h SER 43 Cb 1.82 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 64.40 1ivz h SER 43 CO 0.11 0.18 0.06 0.40 -1.14 0.00 0.00 176.83 176.44 1ivz h ILE 44 N -0.59 1.19 -0.38 3.27 2.04 -1.18 -1.35 117.51 120.52 1ivz h ILE 44 Ca -0.02 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.25 1ivz h ILE 44 Cb 0.44 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1ivz h ILE 44 CO 0.04 0.19 0.23 -0.33 0.00 0.00 0.00 178.15 178.28 1ivz h GLU 45 N 0.16 0.46 -0.83 2.37 5.08 -1.59 -0.24 114.58 119.99 1ivz h GLU 45 Ca 0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ivz h GLU 45 Cb 0.23 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1ivz h GLU 45 CO -0.00 0.31 0.54 -0.97 -1.00 0.00 0.00 179.01 177.88 1ivz h ASN 46 N 0.48 0.96 -0.61 1.42 -1.24 -1.02 0.65 115.58 116.21 1ivz h ASN 46 Ca 0.14 -0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.05 1ivz h ASN 46 Cb -0.02 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.76 1ivz h ASN 46 CO -0.05 0.71 0.13 0.00 -1.29 0.00 0.00 177.43 176.93 1ivz h ALA 47 N 1.29 0.81 0.00 1.57 0.00 -0.77 -2.67 119.26 119.50 1ivz h ALA 47 Ca 0.30 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1ivz h ALA 47 Cb -0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1ivz h ALA 47 CO -0.06 0.54 -0.50 -0.07 0.00 0.00 0.00 179.25 179.16 1ivz h LEU 48 N 0.91 0.00 0.73 0.00 3.38 -0.59 -2.90 115.31 116.84 1ivz h LEU 48 Ca 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1ivz h LEU 48 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1ivz h LEU 48 CO 0.01 0.50 -0.48 0.78 0.09 0.00 0.00 178.44 179.33 1ivz h ASN 49 N 0.00 -1.24 0.06 -0.43 2.35 -0.53 -2.10 115.58 113.70 1ivz h ASN 49 Ca -0.00 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1ivz h ASN 49 Cb 0.91 0.37 -0.00 0.00 0.05 0.00 0.00 38.32 39.65 1ivz h ASN 49 CO 0.06 -0.73 -0.06 0.06 -1.65 0.00 0.00 177.43 175.12 1ivz h GLN 50 N -1.15 0.00 -0.03 0.81 3.07 -1.58 -2.61 115.11 113.62 1ivz h GLN 50 Ca -0.10 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.65 1ivz h GLN 50 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.48 1ivz h GLN 50 CO 0.08 0.06 -0.03 1.25 0.09 0.00 0.00 178.83 180.27 1ivz h LEU 51 N 0.00 -0.09 -1.52 0.06 6.46 -1.22 -0.57 115.31 118.43 1ivz h LEU 51 Ca -0.00 0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.73 1ivz h LEU 51 Cb 0.10 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 1ivz h LEU 51 CO 0.01 -0.04 -0.18 -0.26 -0.62 0.00 0.00 178.44 177.34 1ivz h PHE 52 N -0.04 0.08 0.00 1.25 0.04 -1.02 -0.85 116.94 116.40 1ivz h PHE 52 Ca 0.02 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 1ivz h PHE 52 Cb 0.07 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1ivz h PHE 52 CO -0.12 0.26 -0.56 0.00 -0.60 0.00 0.00 178.31 177.30 1ivz h ARG 53 N 0.08 0.00 -0.37 1.51 3.08 -1.16 -3.13 114.38 114.38 1ivz h ARG 53 Ca 0.01 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.85 1ivz h ARG 53 Cb 0.37 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.29 1ivz h ARG 53 CO 0.03 0.56 -0.14 0.09 -1.07 0.00 0.00 179.97 179.43 1ivz n ASN 54 N -3.71 2.73 -4.81 7.04 3.02 -0.28 -4.84 115.26 114.40 1ivz n ASN 54 Ca -0.01 -3.81 -0.22 0.00 -0.03 0.00 0.00 54.58 50.52 1ivz n ASN 54 Cb 0.59 -0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 39.10 1ivz n ASN 54 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ivz s SER 55 N -2.66 5.07 0.46 6.41 1.04 -0.39 -4.98 113.70 118.65 1ivz s SER 55 Ca 0.45 -0.60 0.13 0.00 0.48 0.00 0.00 55.95 56.41 1ivz s SER 55 Cb 0.41 -0.88 1.07 0.00 0.10 0.00 0.00 66.02 66.73 1ivz s SER 55 CO -0.01 -0.35 2.08 -1.28 0.98 0.00 0.00 173.24 174.67 1ivz h SER 56 N 1.34 0.25 -1.94 7.02 0.87 -1.89 -2.59 113.55 116.61 1ivz h SER 56 Ca -0.44 -0.00 -0.71 0.00 -1.23 0.00 0.00 61.79 59.40 1ivz h SER 56 Cb 1.25 -0.06 -0.32 0.00 -0.44 0.00 0.00 62.40 62.83 1ivz h SER 56 CO 0.60 0.17 0.41 2.30 -0.53 0.00 0.00 176.83 179.79 1ivz n ILE 57 N -4.49 3.64 -0.43 2.23 -5.35 -1.26 -4.73 119.36 108.96 1ivz n ILE 57 Ca 0.02 -4.88 -0.12 0.00 -0.27 0.00 0.00 62.75 57.50 1ivz n ILE 57 Cb 0.15 -1.32 0.15 0.00 -1.74 0.00 0.00 39.64 36.88 1ivz n ILE 57 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 1ivz n LYS 58 N -0.42 2.15 -0.02 6.28 2.85 -0.98 -3.05 118.16 124.97 1ivz n LYS 58 Ca 0.47 -2.00 -0.02 0.00 -1.05 0.00 0.00 58.31 55.70 1ivz n LYS 58 Cb 0.37 -1.82 -0.03 0.00 -0.65 0.00 0.00 35.03 32.90 1ivz n LYS 58 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1ivz n SER 59 N -0.40 4.02 -0.05 -5.58 7.64 -1.26 -4.78 113.62 113.20 1ivz n SER 59 Ca 0.36 -0.00 -0.06 0.00 1.01 0.00 0.00 58.87 60.18 1ivz n SER 59 Cb 1.20 0.51 -0.09 0.00 -1.01 0.00 0.00 64.21 64.83 1ivz n SER 59 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1ivz n TYR 60 N -2.20 0.00 -1.70 1.43 4.01 -1.25 -4.95 117.16 112.49 1ivz n TYR 60 Ca -0.06 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.25 1ivz n TYR 60 Cb 0.62 -0.55 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 1ivz n TYR 60 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ivz n PHE 61 N -2.41 2.62 -0.04 -0.72 -0.00 -1.17 -1.99 117.46 113.75 1ivz n PHE 61 Ca -0.18 -0.02 -0.03 0.00 -0.00 0.00 0.00 57.45 57.22 1ivz n PHE 61 Cb 0.86 -2.68 -0.01 0.00 -0.00 0.00 0.00 39.48 37.65 1ivz n PHE 61 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1ivz n SER 62 N 4.74 1.03 -0.93 -2.13 3.41 -1.19 -4.81 113.62 113.74 1ivz n SER 62 Ca 0.17 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1ivz n SER 62 Cb 0.35 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1ivz n SER 62 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ivz n ASP 63 N -3.60 0.00 -4.30 4.04 2.03 -1.20 -5.04 116.55 108.48 1ivz n ASP 63 Ca -0.04 -0.93 -0.27 0.00 0.52 0.00 0.00 54.79 54.07 1ivz n ASP 63 Cb 0.16 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.42 1ivz n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ivz s GLN 65 N -1.44 1.41 -0.52 0.00 0.74 -0.78 -4.92 119.66 114.14 1ivz s GLN 65 Ca 0.09 -1.44 -0.28 0.00 0.05 0.00 0.00 55.36 53.79 1ivz s GLN 65 Cb -0.09 -2.76 -0.00 0.00 1.10 0.00 0.00 33.01 31.26 1ivz s GLN 65 CO 0.03 -0.84 1.62 0.54 -0.55 0.00 0.00 175.29 176.09 1ivz s VAL 66 N 1.20 3.61 0.02 1.34 0.11 -1.26 -1.23 120.40 124.18 1ivz s VAL 66 Ca 0.05 0.52 -0.26 0.00 -2.93 0.00 0.00 61.98 59.36 1ivz s VAL 66 Cb -0.19 -4.12 -0.16 0.00 -1.53 0.00 0.00 36.38 30.38 1ivz s VAL 66 CO -0.11 -0.91 1.27 -0.07 -3.33 0.00 0.00 175.10 171.95 1ivz h LEU 67 N 14.05 -0.48 -7.93 2.54 3.38 -1.31 -3.49 115.31 122.08 1ivz h LEU 67 Ca -0.28 -0.10 0.33 0.00 0.09 0.00 0.00 57.88 57.91 1ivz h LEU 67 Cb 1.13 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.94 1ivz h LEU 67 CO 1.15 -0.15 0.87 0.00 0.09 0.00 0.00 178.44 180.40 1ivz s ALA 68 N -5.04 -2.37 -0.15 1.53 0.00 -1.15 -5.07 121.76 109.49 1ivz s ALA 68 Ca -0.15 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 1ivz s ALA 68 Cb 0.02 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 1ivz s ALA 68 CO 0.53 -1.14 -0.11 -0.06 0.00 0.00 0.00 175.76 174.99 1ivz s PHE 69 N -2.05 2.86 0.30 0.00 0.08 -1.26 -2.04 117.98 115.86 1ivz s PHE 69 Ca 0.28 -0.71 0.03 0.00 0.12 0.00 0.00 56.93 56.65 1ivz s PHE 69 Cb -0.00 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 1ivz s PHE 69 CO -0.00 -0.29 0.46 1.03 -0.10 0.00 0.00 175.22 176.32 1ivz s ARG 70 N 0.62 3.45 -0.29 0.44 1.81 0.03 -4.87 118.95 120.14 1ivz s ARG 70 Ca -0.06 -0.55 -0.08 0.00 -1.72 0.00 0.00 55.73 53.32 1ivz s ARG 70 Cb -0.15 -2.77 -0.00 0.00 -0.45 0.00 0.00 34.95 31.57 1ivz s ARG 70 CO 0.03 0.28 0.10 0.45 -0.68 0.00 0.00 175.30 175.47 1ivz s SER 71 N -4.01 5.23 0.49 0.23 0.15 -1.26 0.56 113.70 115.09 1ivz s SER 71 Ca 0.37 -0.55 0.15 0.00 0.70 0.00 0.00 55.95 56.63 1ivz s SER 71 Cb -0.09 -1.92 1.19 0.00 -1.71 0.00 0.00 66.02 63.48 1ivz s SER 71 CO 0.33 -0.16 2.09 -0.37 1.20 0.00 0.00 173.24 176.33 1ivz h VAL 72 N 5.74 0.97 -3.01 4.45 -1.51 -1.92 -3.46 116.25 117.50 1ivz h VAL 72 Ca -0.33 -0.05 -0.42 0.00 -1.23 0.00 0.00 66.70 64.67 1ivz h VAL 72 Cb 1.14 0.81 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 1ivz h VAL 72 CO 0.60 0.03 -0.53 -1.20 -1.23 0.00 0.00 177.57 175.24 1ivz n SER 73 N -4.50 -5.91 -0.14 4.19 7.64 -1.26 -4.88 113.62 108.77 1ivz n SER 73 Ca 0.01 -0.01 -0.29 0.00 1.01 0.00 0.00 58.87 59.60 1ivz n SER 73 Cb 0.19 -4.92 -0.10 0.00 -1.01 0.00 0.00 64.21 58.37 1ivz n SER 73 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ivz n ASN 74 N -2.01 1.95 -0.02 6.43 3.02 -1.26 -4.78 115.26 118.59 1ivz n ASN 74 Ca -0.25 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1ivz n ASN 74 Cb 0.69 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1ivz n ASN 74 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ivz n ASN 75 N -4.26 0.70 -3.63 6.41 5.15 -1.26 -5.01 115.26 113.37 1ivz n ASN 75 Ca -0.52 -1.41 -0.27 0.00 -0.60 0.00 0.00 54.58 51.78 1ivz n ASN 75 Cb 0.86 -0.02 0.03 0.00 -0.53 0.00 0.00 39.78 40.13 1ivz n ASN 75 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1ivz n ASN 76 N -0.19 -5.18 0.03 1.20 4.13 -1.26 -4.79 115.26 109.19 1ivz n ASN 76 Ca 0.00 -0.60 0.00 0.00 1.68 0.00 0.00 54.58 55.67 1ivz n ASN 76 Cb 0.43 -4.14 0.00 0.00 -1.54 0.00 0.00 39.78 34.53 1ivz n ASN 76 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1ivz n ASN 77 N -2.73 -0.01 -4.75 6.41 2.85 -1.26 -4.57 115.26 111.20 1ivz n ASN 77 Ca 0.00 0.09 -0.31 0.00 -0.11 0.00 0.00 54.58 54.26 1ivz n ASN 77 Cb 0.55 0.06 0.11 0.00 1.24 0.00 0.00 39.78 41.74 1ivz n ASN 77 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1ivz s HIS 78 N -2.00 2.49 -0.02 1.20 3.76 -1.26 -2.90 115.29 116.57 1ivz s HIS 78 Ca 0.00 1.43 -0.04 0.00 -0.15 0.00 0.00 55.06 56.31 1ivz s HIS 78 Cb 0.00 -3.09 0.00 0.00 1.11 0.00 0.00 32.58 30.61 1ivz s HIS 78 CO 0.00 -2.01 0.09 0.99 -0.85 0.00 0.00 174.74 172.96 1ivz s THR 79 N -2.92 0.03 -0.06 1.30 2.01 -0.87 -4.18 115.64 110.95 1ivz s THR 79 Ca 0.62 -0.28 -0.22 0.00 0.31 0.00 0.00 61.69 62.12 1ivz s THR 79 Cb -0.17 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 1ivz s THR 79 CO 0.56 -0.15 0.64 -0.83 -0.69 0.00 0.00 174.62 174.15 1ivz s GLY 80 N -0.47 2.58 -0.65 4.40 0.00 0.19 -0.23 107.32 113.15 1ivz s GLY 80 Ca -0.05 0.06 -0.17 0.00 0.00 0.00 0.00 44.72 44.56 1ivz s GLY 80 CO 0.00 1.03 0.69 0.14 0.00 0.00 0.00 173.10 174.96 1ivz s VAL 81 N 0.58 5.10 -1.17 1.40 1.01 -1.07 -0.79 120.40 125.46 1ivz s VAL 81 Ca 0.34 -1.50 -0.14 0.00 0.00 0.00 0.00 61.98 60.68 1ivz s VAL 81 Cb -0.17 -4.46 0.18 0.00 0.00 0.00 0.00 36.38 31.92 1ivz s VAL 81 CO 0.17 -1.06 1.37 -1.81 0.00 0.00 0.00 175.10 173.77 1ivz s ASP 82 N 3.32 7.06 0.51 3.32 1.11 -0.87 -2.67 116.67 128.45 1ivz s ASP 82 Ca 0.12 -2.97 0.08 0.00 0.18 0.00 0.00 52.55 49.96 1ivz s ASP 82 Cb -0.22 -2.38 0.09 0.00 1.07 0.00 0.00 42.92 41.48 1ivz s ASP 82 CO 0.01 -0.73 0.70 -1.54 1.18 0.00 0.00 175.17 174.79 1ivz n SER 83 N 5.43 1.81 -3.67 0.27 3.41 0.17 -0.87 113.62 120.17 1ivz n SER 83 Ca 0.34 -2.32 -0.25 0.00 -0.26 0.00 0.00 58.87 56.37 1ivz n SER 83 Cb 0.43 -0.37 -0.17 0.00 -0.26 0.00 0.00 64.21 63.83 1ivz n SER 83 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ivz s LEU 84 N 0.00 0.60 -1.11 1.04 1.98 -0.37 -0.26 118.68 120.56 1ivz s LEU 84 Ca 0.53 -0.53 -0.22 0.00 -2.89 0.00 0.00 54.13 51.02 1ivz s LEU 84 Cb -0.04 -0.36 -0.10 0.00 0.66 0.00 0.00 46.19 46.35 1ivz s LEU 84 CO 0.34 -0.31 1.93 0.00 -1.89 0.00 0.00 176.35 176.42 1ivz s ASN 86 N 6.17 6.58 0.17 0.00 0.01 -0.64 -2.56 114.94 124.66 1ivz s ASN 86 Ca 0.66 2.67 0.06 0.00 -0.71 0.00 0.00 52.86 55.54 1ivz s ASN 86 Cb 0.02 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 1ivz s ASN 86 CO 0.13 -0.67 -0.13 -0.36 -1.51 0.00 0.00 177.10 174.57 1ivz s PHE 87 N -1.20 1.50 0.57 2.20 0.40 -0.95 -3.15 117.98 117.35 1ivz s PHE 87 Ca 0.52 -0.63 -0.05 0.00 -0.60 0.00 0.00 56.93 56.17 1ivz s PHE 87 Cb -0.39 -0.73 0.00 0.00 0.51 0.00 0.00 43.02 42.41 1ivz s PHE 87 CO 0.51 0.22 0.87 -1.12 0.70 0.00 0.00 175.22 176.40 1ivz s SER 88 N -3.07 5.66 0.41 1.36 0.01 -0.84 -4.35 113.70 112.88 1ivz s SER 88 Ca 0.17 0.68 0.10 0.00 1.31 0.00 0.00 55.95 58.21 1ivz s SER 88 Cb -0.01 -1.72 0.85 0.00 0.21 0.00 0.00 66.02 65.36 1ivz s SER 88 CO 0.04 -1.00 1.97 1.55 0.41 0.00 0.00 173.24 176.21 1ivz h PRO 89 N -0.09 0.27 0.00 12.44 0.13 -1.89 -1.81 132.00 141.05 1ivz h PRO 89 Ca -0.46 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1ivz h PRO 89 Cb 1.25 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ivz h PRO 89 CO 0.60 0.33 -0.05 -0.07 -0.23 0.00 0.00 178.00 178.59 1ivz h LEU 90 N 0.26 0.00 -9.29 1.56 4.07 -1.91 -3.39 115.31 106.61 1ivz h LEU 90 Ca 0.06 0.00 -0.67 0.00 0.08 0.00 0.00 57.88 57.35 1ivz h LEU 90 Cb 0.25 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.04 1ivz h LEU 90 CO 0.01 0.05 0.56 0.00 -1.08 0.00 0.00 178.44 177.98 1ivz n ALA 91 N -2.16 -0.53 -3.33 1.53 0.00 -0.68 -4.98 120.51 110.37 1ivz n ALA 91 Ca -0.01 0.49 -0.15 0.00 0.00 0.00 0.00 53.44 53.77 1ivz n ALA 91 Cb 0.21 -2.14 -0.15 0.00 0.00 0.00 0.00 19.45 17.37 1ivz n ALA 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1ivz s ARG 92 N 0.94 0.15 -0.51 0.00 6.06 -1.26 -4.92 118.95 119.41 1ivz s ARG 92 Ca 0.85 0.04 -0.08 0.00 -2.50 0.00 0.00 55.73 54.05 1ivz s ARG 92 Cb -0.92 -0.27 0.01 0.00 0.06 0.00 0.00 34.95 33.83 1ivz s ARG 92 CO 0.48 -0.06 0.57 -2.13 -2.50 0.00 0.00 175.30 171.65 1ivz n ARG 93 N 3.65 -1.67 -4.19 5.12 0.00 -1.26 -5.06 116.66 113.25 1ivz n ARG 93 Ca -0.21 1.68 -0.17 0.00 -0.00 0.00 0.00 57.85 59.15 1ivz n ARG 93 Cb 0.54 -5.23 -0.12 0.00 0.00 0.00 0.00 32.46 27.66 1ivz n ARG 93 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1ivz s VAL 94 N -2.69 1.12 0.06 5.15 1.01 -1.26 -5.14 120.40 118.65 1ivz s VAL 94 Ca 0.12 -1.45 -0.06 0.00 0.00 0.00 0.00 61.98 60.58 1ivz s VAL 94 Cb -0.03 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1ivz s VAL 94 CO 0.67 -0.33 0.12 -1.81 0.00 0.00 0.00 175.10 173.75 1ivz s ASP 95 N -2.02 0.21 0.54 3.32 1.01 -1.26 -5.03 116.67 113.43 1ivz s ASP 95 Ca 0.02 -0.68 0.19 0.00 0.71 0.00 0.00 52.55 52.79 1ivz s ASP 95 Cb -0.08 0.28 1.39 0.00 1.01 0.00 0.00 42.92 45.52 1ivz s ASP 95 CO 0.02 -0.64 2.16 0.08 0.21 0.00 0.00 175.17 177.01 1ivz h ARG 96 N 3.10 0.00 -0.02 8.23 0.11 -1.90 -0.97 114.38 122.92 1ivz h ARG 96 Ca -0.34 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.63 1ivz h ARG 96 Cb 1.18 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.25 1ivz h ARG 96 CO 0.56 0.00 -0.54 0.28 0.10 0.00 0.00 179.97 180.37 1ivz h VAL 97 N 0.00 1.39 0.66 0.08 2.07 -1.96 -2.44 116.25 116.05 1ivz h VAL 97 Ca 0.01 -1.86 -0.03 0.00 0.82 0.00 0.00 66.70 65.64 1ivz h VAL 97 Cb 0.05 1.98 0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1ivz h VAL 97 CO -0.00 0.54 -0.32 0.00 0.02 0.00 0.00 177.57 177.81 1ivz h ALA 98 N 1.40 -1.16 0.00 1.67 0.00 -1.58 0.05 119.26 119.64 1ivz h ALA 98 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ivz h ALA 98 Cb 0.98 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ivz h ALA 98 CO 0.07 -1.09 -0.04 0.82 0.00 0.00 0.00 179.25 179.01 1ivz h ILE 99 N -0.95 0.39 -0.10 0.00 2.04 -1.63 -0.22 117.51 117.04 1ivz h ILE 99 Ca -0.09 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.44 1ivz h ILE 99 Cb 0.68 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1ivz h ILE 99 CO 0.15 0.04 -0.39 0.22 0.00 0.00 0.00 178.15 178.17 1ivz h TYR 100 N 0.00 0.58 -0.05 1.37 3.20 -1.22 -2.52 116.97 118.33 1ivz h TYR 100 Ca -0.00 -0.25 -0.10 0.00 3.14 0.00 0.00 58.73 61.53 1ivz h TYR 100 Cb 0.15 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 38.33 1ivz h TYR 100 CO 0.00 0.99 -0.36 0.93 -1.64 0.00 0.00 178.16 178.09 1ivz h GLU 101 N -0.00 0.32 -0.14 1.82 5.08 -0.48 -2.61 114.58 118.57 1ivz h GLU 101 Ca -0.02 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.09 1ivz h GLU 101 Cb 1.03 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1ivz h GLU 101 CO 0.08 0.95 0.11 0.93 -1.00 0.00 0.00 179.01 180.07 1ivz h GLU 102 N -0.20 0.00 0.02 2.33 3.07 -1.16 -0.08 114.58 118.56 1ivz h GLU 102 Ca -0.03 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.73 1ivz h GLU 102 Cb 1.03 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.95 1ivz h GLU 102 CO 0.07 0.00 -0.40 0.35 -1.40 0.00 0.00 179.01 177.63 1ivz h PHE 103 N 0.00 0.36 -0.48 4.33 3.57 -1.44 -3.11 116.94 120.17 1ivz h PHE 103 Ca 0.07 -0.21 -0.05 0.00 3.53 0.00 0.00 57.97 61.30 1ivz h PHE 103 Cb 0.28 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1ivz h PHE 103 CO 0.00 1.06 0.08 -0.07 -2.23 0.00 0.00 178.31 177.15 1ivz h LEU 104 N -0.44 0.69 -1.53 0.59 3.38 -1.03 0.22 115.31 117.20 1ivz h LEU 104 Ca -0.06 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1ivz h LEU 104 Cb 1.18 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1ivz h LEU 104 CO 0.08 0.71 -0.24 0.03 0.09 0.00 0.00 178.44 179.10 1ivz h ARG 105 N 0.71 0.00 0.00 1.13 3.08 -1.11 0.87 114.38 119.07 1ivz h ARG 105 Ca 0.15 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.01 1ivz h ARG 105 Cb 0.31 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1ivz h ARG 105 CO 0.00 0.24 -1.75 -0.12 -1.07 0.00 0.00 179.97 177.28 1ivz n MET 106 N -3.98 0.64 -0.90 0.04 1.56 -0.86 -4.12 117.12 109.51 1ivz n MET 106 Ca -0.02 0.11 -0.09 0.00 -0.27 0.00 0.00 57.70 57.43 1ivz n MET 106 Cb 0.32 -1.70 0.23 0.00 2.15 0.00 0.00 33.22 34.23 1ivz n MET 106 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1ivz n THR 107 N -2.77 2.60 -3.39 1.12 -2.24 0.71 -4.85 114.28 105.46 1ivz n THR 107 Ca -0.15 -1.40 -0.15 0.00 -2.27 0.00 0.00 64.05 60.08 1ivz n THR 107 Cb 0.88 -0.45 0.02 0.00 -2.10 0.00 0.00 70.33 68.68 1ivz n THR 107 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1ivz n HIS 108 N -0.25 -2.46 -2.91 4.78 -0.00 -0.95 -1.13 115.22 112.30 1ivz n HIS 108 Ca 0.38 0.87 -0.21 0.00 0.46 0.00 0.00 57.72 59.22 1ivz n HIS 108 Cb 1.29 -3.66 0.03 0.00 -0.12 0.00 0.00 29.99 27.53 1ivz n HIS 108 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1ivz n ASN 109 N -2.35 -5.87 -3.66 0.26 5.15 0.30 -2.39 115.26 106.69 1ivz n ASN 109 Ca -0.10 -0.24 -0.23 0.00 -0.60 0.00 0.00 54.58 53.40 1ivz n ASN 109 Cb 0.58 -4.72 0.06 0.00 -0.53 0.00 0.00 39.78 35.17 1ivz n ASN 109 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ivz n GLY 110 N -1.44 -0.44 0.02 8.20 0.00 -1.02 -4.61 105.19 105.91 1ivz n GLY 110 Ca -0.12 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 1ivz n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ivz n THR 111 N -4.59 0.33 -3.72 2.61 -2.24 -0.29 -1.00 114.28 105.39 1ivz n THR 111 Ca -0.11 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 1ivz n THR 111 Cb 0.60 -0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 67.82 1ivz n THR 111 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1ivz s GLN 112 N -2.12 0.15 -0.78 -0.78 2.00 -0.58 -0.97 119.66 116.59 1ivz s GLN 112 Ca -0.02 0.53 -0.09 0.00 -2.00 0.00 0.00 55.36 53.77 1ivz s GLN 112 Cb 0.01 -0.14 0.20 0.00 0.80 0.00 0.00 33.01 33.89 1ivz s GLN 112 CO 0.20 -0.19 0.68 -1.17 -0.50 0.00 0.00 175.29 174.30 1ivz s LEU 113 N 1.49 6.17 0.00 3.68 1.98 -0.02 -4.24 118.68 127.75 1ivz s LEU 113 Ca -0.07 -2.86 0.00 0.00 -2.89 0.00 0.00 54.13 48.31 1ivz s LEU 113 Cb -0.11 -2.08 0.00 0.00 0.66 0.00 0.00 46.19 44.66 1ivz s LEU 113 CO -0.08 -0.47 0.00 0.18 -1.89 0.00 0.00 176.35 174.10 1ivz n LEU 114 N 3.64 0.00 -1.31 -0.68 4.77 -1.26 -1.05 117.00 121.12 1ivz n LEU 114 Ca 0.13 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.15 1ivz n LEU 114 Cb 0.43 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.60 1ivz n LEU 114 CO 0.34 0.00 0.15 0.59 -1.33 0.00 0.00 177.39 177.14 1ivz n ASN 115 N 1.34 1.31 -3.56 -1.43 5.03 -1.26 -4.99 115.26 111.70 1ivz n ASN 115 Ca 0.00 -2.59 -0.29 0.00 0.87 0.00 0.00 54.58 52.57 1ivz n ASN 115 Cb 0.00 -0.38 -0.15 0.00 -1.02 0.00 0.00 39.78 38.24 1ivz n ASN 115 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1ivz s PHE 116 N -1.18 0.52 -0.10 3.10 0.40 -0.21 -5.11 117.98 115.41 1ivz s PHE 116 Ca 0.35 -1.03 -0.29 0.00 -0.60 0.00 0.00 56.93 55.36 1ivz s PHE 116 Cb 0.38 -1.01 -0.06 0.00 0.51 0.00 0.00 43.02 42.85 1ivz s PHE 116 CO -0.13 -0.84 1.80 0.95 0.70 0.00 0.00 175.22 177.70 1ivz s THR 117 N 1.98 3.39 0.10 0.64 -4.23 -1.26 -0.84 115.64 115.41 1ivz s THR 117 Ca 0.10 0.45 0.02 0.00 -1.18 0.00 0.00 61.69 61.08 1ivz s THR 117 Cb -0.17 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.29 1ivz s THR 117 CO -0.33 -0.10 -0.08 -1.48 -0.54 0.00 0.00 174.62 172.09 1ivz s LEU 118 N 5.02 2.49 0.76 4.79 0.05 -0.15 -0.65 118.68 131.00 1ivz s LEU 118 Ca 0.80 -0.97 -0.11 0.00 0.05 0.00 0.00 54.13 53.90 1ivz s LEU 118 Cb -0.33 -0.14 0.05 0.00 -2.05 0.00 0.00 46.19 43.71 1ivz s LEU 118 CO 0.33 -0.41 1.09 -0.62 -0.55 0.00 0.00 176.35 176.19 1ivz s ASP 119 N -2.95 4.79 -0.24 1.48 2.15 -1.20 -3.69 116.67 117.00 1ivz s ASP 119 Ca 0.11 1.36 -0.09 0.00 0.43 0.00 0.00 52.55 54.36 1ivz s ASP 119 Cb 0.03 -2.14 -0.17 0.00 -0.30 0.00 0.00 42.92 40.35 1ivz s ASP 119 CO -0.03 -1.79 -0.12 -1.14 -0.17 0.00 0.00 175.17 171.92 1ivz n ARG 120 N -3.32 0.63 -0.12 4.34 0.63 -0.17 -4.14 116.66 114.50 1ivz n ARG 120 Ca 0.07 0.28 0.03 0.00 -0.92 0.00 0.00 57.85 57.31 1ivz n ARG 120 Cb 0.56 -1.57 0.34 0.00 0.45 0.00 0.00 32.46 32.23 1ivz n ARG 120 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1ivz h LYS 121 N -0.54 0.76 -0.07 -0.14 1.57 -1.92 -1.04 116.57 115.20 1ivz h LYS 121 Ca -0.57 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.12 1ivz h LYS 121 Cb 1.72 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 1ivz h LYS 121 CO -0.22 0.50 -0.15 0.66 -0.57 0.00 0.00 179.45 179.68 1ivz h SER 122 N 0.78 0.10 -4.02 0.86 4.64 -1.93 -3.43 113.55 110.56 1ivz h SER 122 Ca 0.23 -0.02 -0.55 0.00 -0.47 0.00 0.00 61.79 60.99 1ivz h SER 122 Cb -0.02 -0.03 0.13 0.00 -0.31 0.00 0.00 62.40 62.18 1ivz h SER 122 CO -0.06 0.27 0.67 0.52 -0.87 0.00 0.00 176.83 177.36 1ivz n VAL 123 N -4.31 3.33 -3.64 0.95 0.31 -0.39 -4.32 118.33 110.27 1ivz n VAL 123 Ca -0.02 -0.50 -0.06 0.00 -0.01 0.00 0.00 64.34 63.76 1ivz n VAL 123 Cb 0.25 -1.78 -0.06 0.00 -0.91 0.00 0.00 33.84 31.34 1ivz n VAL 123 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1ivz s PHE 124 N -1.24 -0.23 -0.03 3.52 2.19 0.20 -4.93 117.98 117.46 1ivz s PHE 124 Ca 0.66 0.52 -0.02 0.00 0.33 0.00 0.00 56.93 58.42 1ivz s PHE 124 Cb -0.43 0.44 0.02 0.00 -1.31 0.00 0.00 43.02 41.74 1ivz s PHE 124 CO 0.53 -0.13 0.08 0.54 1.83 0.00 0.00 175.22 178.07 1ivz s VAL 125 N -0.18 -0.03 0.00 3.12 0.11 -1.26 -0.72 120.40 121.44 1ivz s VAL 125 Ca 0.05 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 1ivz s VAL 125 Cb -0.04 -0.13 0.00 0.00 -1.53 0.00 0.00 36.38 34.68 1ivz s VAL 125 CO -0.10 0.04 0.00 -0.67 -3.33 0.00 0.00 175.10 171.05 1ivz n ASP 126 N 3.65 1.20 -4.32 3.54 2.03 -0.88 -4.81 116.55 116.95 1ivz n ASP 126 Ca -0.20 -0.93 -0.47 0.00 0.52 0.00 0.00 54.79 53.72 1ivz n ASP 126 Cb 0.55 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.92 1ivz n ASP 126 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1ivz s SER 127 N -0.85 6.59 1.61 1.67 0.01 -1.26 -1.07 113.70 120.40 1ivz s SER 127 Ca 0.00 -2.46 0.00 0.00 1.31 0.00 0.00 55.95 54.80 1ivz s SER 127 Cb 0.00 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1ivz s SER 127 CO 0.00 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.62 1ivz n GLY 128 N 4.30 3.51 3.70 3.44 0.00 -0.32 -4.80 105.19 115.03 1ivz n GLY 128 Ca 0.06 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1ivz n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ivz s PRO 129 N 0.00 1.18 0.01 1.61 0.04 -1.26 -4.26 135.00 132.31 1ivz s PRO 129 Ca 0.00 0.92 0.02 0.00 0.04 0.00 0.00 61.00 61.97 1ivz s PRO 129 Cb 0.00 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1ivz s PRO 129 CO 0.00 -2.32 -0.06 -1.12 0.04 0.00 0.00 177.00 173.54 1ivz s SER 130 N -3.29 0.68 -0.24 6.66 0.01 -1.26 -5.00 113.70 111.25 1ivz s SER 130 Ca 0.64 -0.21 -0.06 0.00 1.31 0.00 0.00 55.95 57.64 1ivz s SER 130 Cb -0.19 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 1ivz s SER 130 CO 0.57 -0.00 0.02 -0.55 0.41 0.00 0.00 173.24 173.70 1ivz s SER 131 N -0.48 4.77 0.00 2.44 0.15 -1.26 -5.22 113.70 114.09 1ivz s SER 131 Ca -0.01 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1ivz s SER 131 Cb -0.04 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 1ivz s SER 131 CO -0.00 -0.05 0.21 0.61 1.20 0.00 0.00 173.24 175.21