#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ir8 s VAL 2 N 0.00 4.89 0.59 3.15 1.01 -1.26 -1.29 120.40 127.49 1ir8 s VAL 2 Ca 0.00 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 60.93 1ir8 s VAL 2 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1ir8 s VAL 2 CO 0.00 -0.35 1.06 -0.36 0.00 0.00 0.00 175.10 175.45 1ir8 s PHE 3 N 1.60 2.95 0.36 5.22 0.40 0.04 -5.00 117.98 123.56 1ir8 s PHE 3 Ca 0.03 1.52 -0.05 0.00 -0.60 0.00 0.00 56.93 57.83 1ir8 s PHE 3 Cb -0.20 -3.03 -0.05 0.00 0.51 0.00 0.00 43.02 40.25 1ir8 s PHE 3 CO 0.07 -1.15 0.64 0.20 0.70 0.00 0.00 175.22 175.69 1ir8 s GLY 4 N -2.68 1.71 0.13 4.36 0.00 -1.26 -4.85 107.32 104.72 1ir8 s GLY 4 Ca 0.64 -0.54 -0.29 0.00 0.00 0.00 0.00 44.72 44.53 1ir8 s GLY 4 CO 0.36 -0.42 1.59 -0.09 0.00 0.00 0.00 173.10 174.54 1ir8 h ARG 5 N 1.13 -0.50 -0.00 2.90 2.43 -1.97 -1.00 114.38 117.37 1ir8 h ARG 5 Ca -0.48 0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 58.63 1ir8 h ARG 5 Cb 1.20 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 1ir8 h ARG 5 CO 0.64 -0.33 -0.46 0.00 -1.51 0.00 0.00 179.97 178.31 1ir8 h GLU 7 N 0.00 0.74 -0.34 0.00 4.81 -1.87 -1.54 114.58 116.39 1ir8 h GLU 7 Ca -0.00 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 1ir8 h GLU 7 Cb 0.81 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1ir8 h GLU 7 CO 0.06 0.78 0.01 1.25 -0.73 0.00 0.00 179.01 180.37 1ir8 h LEU 8 N 0.60 0.58 -0.42 1.64 5.85 -1.01 -1.62 115.31 120.93 1ir8 h LEU 8 Ca 0.13 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.62 1ir8 h LEU 8 Cb 0.40 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1ir8 h LEU 8 CO 0.01 0.74 0.05 0.00 -0.34 0.00 0.00 178.44 178.90 1ir8 h ALA 9 N 0.86 0.43 -0.62 1.25 0.00 -1.25 0.94 119.26 120.87 1ir8 h ALA 9 Ca 0.10 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ir8 h ALA 9 Cb 0.43 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1ir8 h ALA 9 CO 0.02 -0.35 0.35 0.00 0.00 0.00 0.00 179.25 179.27 1ir8 h ALA 10 N 1.34 0.79 -0.56 0.00 0.00 -1.15 -0.02 119.26 119.66 1ir8 h ALA 10 Ca 0.21 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1ir8 h ALA 10 Cb 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ir8 h ALA 10 CO -0.30 0.29 -0.03 0.00 0.00 0.00 0.00 179.25 179.21 1ir8 h ALA 11 N 1.17 0.87 -0.51 0.00 0.00 -0.61 -1.49 119.26 118.70 1ir8 h ALA 11 Ca 0.22 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1ir8 h ALA 11 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1ir8 h ALA 11 CO -0.04 0.65 -0.10 0.52 0.00 0.00 0.00 179.25 180.28 1ir8 h MET 12 N 0.91 0.97 -0.07 0.00 2.86 -0.48 -2.12 114.93 117.00 1ir8 h MET 12 Ca 0.16 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1ir8 h MET 12 Cb 0.57 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1ir8 h MET 12 CO 0.03 1.03 0.03 -0.22 1.06 0.00 0.00 176.91 178.84 1ir8 h LYS 13 N 0.83 0.10 -0.21 1.72 3.64 -0.84 -1.48 116.57 120.32 1ir8 h LYS 13 Ca 0.13 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 1ir8 h LYS 13 Cb 0.66 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1ir8 h LYS 13 CO 0.05 0.21 0.16 -0.09 -2.27 0.00 0.00 179.45 177.51 1ir8 h ARG 14 N -0.04 0.00 -0.38 1.90 2.43 -1.23 0.79 114.38 117.85 1ir8 h ARG 14 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1ir8 h ARG 14 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1ir8 h ARG 14 CO -0.00 0.00 0.00 0.72 -1.51 0.00 0.00 179.97 179.18 1ir8 n HIS 15 N -4.38 0.51 -1.24 2.20 8.25 -0.80 -4.94 115.22 114.83 1ir8 n HIS 15 Ca 0.02 -0.25 -0.02 0.00 -0.26 0.00 0.00 57.72 57.21 1ir8 n HIS 15 Cb 0.31 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.39 1ir8 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ir8 n GLY 16 N 1.05 0.51 0.10 -1.41 0.00 0.27 -4.98 105.19 100.74 1ir8 n GLY 16 Ca 0.12 -0.95 -0.00 0.00 0.00 0.00 0.00 46.02 45.19 1ir8 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ir8 h LEU 17 N 0.00 0.00 -9.22 0.99 3.38 -1.44 -3.40 115.31 105.61 1ir8 h LEU 17 Ca -0.05 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.34 1ir8 h LEU 17 Cb 0.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.07 1ir8 h LEU 17 CO 0.07 0.62 1.23 -0.67 0.09 0.00 0.00 178.44 179.77 1ir8 n ASP 18 N -3.04 3.63 -0.69 -0.43 2.03 -1.26 -1.12 116.55 115.68 1ir8 n ASP 18 Ca -0.06 0.81 -0.09 0.00 0.52 0.00 0.00 54.79 55.97 1ir8 n ASP 18 Cb 0.83 -1.45 -0.04 0.00 -0.72 0.00 0.00 41.12 39.74 1ir8 n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1ir8 n ASN 19 N 7.89 -4.91 -4.69 1.67 4.13 0.19 -4.89 115.26 114.65 1ir8 n ASN 19 Ca 0.24 0.22 -0.42 0.00 1.68 0.00 0.00 54.58 56.30 1ir8 n ASN 19 Cb 0.36 -3.20 -0.03 0.00 -1.54 0.00 0.00 39.78 35.37 1ir8 n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1ir8 s TYR 20 N -2.06 2.56 -1.74 3.10 5.04 -0.27 -1.42 117.35 122.57 1ir8 s TYR 20 Ca 0.00 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.10 1ir8 s TYR 20 Cb 0.00 -3.87 0.00 0.00 0.35 0.00 0.00 41.96 38.44 1ir8 s TYR 20 CO 0.00 -3.43 0.00 0.54 -1.34 0.00 0.00 175.55 171.32 1ir8 n ARG 21 N 5.50 -1.73 -0.84 4.97 5.12 -1.26 -1.92 116.66 126.50 1ir8 n ARG 21 Ca 0.15 0.98 0.00 0.00 -1.93 0.00 0.00 57.85 57.05 1ir8 n ARG 21 Cb 0.41 -5.64 0.00 0.00 -1.16 0.00 0.00 32.46 26.08 1ir8 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ir8 n GLY 22 N -0.98 0.84 3.50 -0.13 0.00 -0.50 -5.02 105.19 102.90 1ir8 n GLY 22 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1ir8 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ir8 s TYR 23 N -3.27 3.22 0.92 1.61 2.02 -0.81 -4.89 117.35 116.15 1ir8 s TYR 23 Ca 0.00 -0.35 -0.10 0.00 -0.37 0.00 0.00 57.07 56.25 1ir8 s TYR 23 Cb 0.00 -2.60 0.14 0.00 -0.40 0.00 0.00 41.96 39.10 1ir8 s TYR 23 CO 0.00 -0.50 1.11 -1.13 -1.57 0.00 0.00 175.55 173.45 1ir8 n SER 24 N 5.23 0.22 -0.28 2.29 3.41 -1.26 -0.64 113.62 122.59 1ir8 n SER 24 Ca -0.11 0.42 0.04 0.00 -0.26 0.00 0.00 58.87 58.97 1ir8 n SER 24 Cb 0.48 -1.46 0.18 0.00 -0.26 0.00 0.00 64.21 63.15 1ir8 n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ir8 h LEU 25 N -1.85 0.57 -1.75 1.04 5.85 -1.90 -1.15 115.31 116.12 1ir8 h LEU 25 Ca -0.43 0.07 0.14 0.00 0.84 0.00 0.00 57.88 58.50 1ir8 h LEU 25 Cb 1.27 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 1ir8 h LEU 25 CO 0.41 0.29 0.44 1.23 -0.34 0.00 0.00 178.44 180.47 1ir8 h GLY 26 N 0.68 0.42 0.93 3.75 0.00 -1.91 -1.80 103.07 105.14 1ir8 h GLY 26 Ca 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 1ir8 h GLY 26 CO -0.30 0.04 0.13 3.43 0.00 0.00 0.00 176.54 179.85 1ir8 h ASN 27 N 0.26 0.38 -0.62 0.19 2.35 -1.44 -0.56 115.58 116.15 1ir8 h ASN 27 Ca 0.31 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.83 1ir8 h ASN 27 Cb 0.86 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 1ir8 h ASN 27 CO -0.07 0.41 0.01 -0.50 -1.65 0.00 0.00 177.43 175.63 1ir8 h TRP 28 N 0.32 1.18 -0.40 1.19 4.06 -1.41 -1.23 115.95 119.66 1ir8 h TRP 28 Ca 0.10 -0.20 -0.16 0.00 2.06 0.00 0.00 58.89 60.69 1ir8 h TRP 28 Cb 0.14 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 27.98 1ir8 h TRP 28 CO -0.02 1.03 -0.37 0.28 -3.56 0.00 0.00 178.44 175.81 1ir8 h VAL 29 N 0.98 1.27 -0.37 1.49 2.07 -1.30 -1.70 116.25 118.70 1ir8 h VAL 29 Ca 0.18 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 1ir8 h VAL 29 Cb 0.56 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1ir8 h VAL 29 CO 0.03 0.52 0.09 0.00 0.02 0.00 0.00 177.57 178.23 1ir8 h ALA 31 N 0.93 0.79 -0.56 0.00 0.00 -1.12 -2.20 119.26 117.11 1ir8 h ALA 31 Ca 0.11 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1ir8 h ALA 31 Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ir8 h ALA 31 CO 0.00 0.19 0.04 0.00 0.00 0.00 0.00 179.25 179.48 1ir8 h ALA 32 N 1.24 1.01 0.22 0.00 0.00 -1.10 0.70 119.26 121.33 1ir8 h ALA 32 Ca 0.23 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ir8 h ALA 32 Cb -0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1ir8 h ALA 32 CO -0.07 0.62 -0.24 -0.22 0.00 0.00 0.00 179.25 179.34 1ir8 h LYS 33 N 0.87 -0.48 0.00 0.00 1.63 -0.92 -1.68 116.57 115.99 1ir8 h LYS 33 Ca 0.17 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 1ir8 h LYS 33 Cb 0.46 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1ir8 h LYS 33 CO 0.02 -0.32 -0.04 0.74 -3.45 0.00 0.00 179.45 176.39 1ir8 h PHE 34 N -0.50 0.00 0.21 1.91 0.04 -1.30 0.21 116.94 117.51 1ir8 h PHE 34 Ca 0.00 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.46 1ir8 h PHE 34 Cb 0.47 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.65 1ir8 h PHE 34 CO -0.17 0.00 -1.42 0.93 -0.60 0.00 0.00 178.31 177.04 1ir8 h GLU 35 N 0.00 0.45 0.00 1.51 4.39 -0.81 -3.43 114.58 116.69 1ir8 h GLU 35 Ca 0.00 -0.77 0.00 0.00 0.34 0.00 0.00 59.36 58.93 1ir8 h GLU 35 Cb 0.97 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1ir8 h GLU 35 CO 0.00 1.37 0.00 -1.13 -1.16 0.00 0.00 179.01 178.09 1ir8 n SER 36 N -3.78 0.14 -2.37 1.42 3.41 -0.67 -4.83 113.62 106.94 1ir8 n SER 36 Ca -0.19 -0.69 -0.17 0.00 -0.26 0.00 0.00 58.87 57.56 1ir8 n SER 36 Cb 1.04 0.08 0.03 0.00 -0.26 0.00 0.00 64.21 65.09 1ir8 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ir8 n ASN 37 N -0.08 -5.14 -1.29 4.04 5.15 0.72 -2.23 115.26 116.44 1ir8 n ASN 37 Ca 0.00 -0.21 -0.15 0.00 -0.60 0.00 0.00 54.58 53.62 1ir8 n ASN 37 Cb 0.13 -4.00 -0.05 0.00 -0.53 0.00 0.00 39.78 35.32 1ir8 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ir8 n PHE 38 N -4.23 -0.16 -3.69 1.20 3.72 -1.13 -4.85 117.46 108.31 1ir8 n PHE 38 Ca -0.10 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.93 1ir8 n PHE 38 Cb 0.60 -2.78 -0.12 0.00 -0.94 0.00 0.00 39.48 36.23 1ir8 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ir8 s ASN 39 N -2.72 5.43 0.48 4.37 2.47 -0.94 -0.78 114.94 123.24 1ir8 s ASN 39 Ca 0.00 -0.38 0.21 0.00 0.42 0.00 0.00 52.86 53.10 1ir8 s ASN 39 Cb 0.00 -1.98 1.21 0.00 -1.45 0.00 0.00 41.25 39.03 1ir8 s ASN 39 CO 0.00 -0.13 2.02 0.71 -3.72 0.00 0.00 177.10 175.98 1ir8 h THR 40 N 5.61 0.86 -0.07 -5.21 1.35 -1.50 -2.75 112.91 111.19 1ir8 h THR 40 Ca -0.34 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1ir8 h THR 40 Cb 1.16 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1ir8 h THR 40 CO 0.60 0.16 0.00 0.00 -0.25 0.00 0.00 175.52 176.03 1ir8 n GLN 41 N -3.97 1.41 -1.94 4.72 6.02 -1.26 -3.99 117.38 118.38 1ir8 n GLN 41 Ca -0.02 -0.61 -0.41 0.00 -0.01 0.00 0.00 57.00 55.94 1ir8 n GLN 41 Cb 0.25 -1.38 -0.02 0.00 1.02 0.00 0.00 30.24 30.11 1ir8 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ir8 s ALA 42 N -1.91 3.67 0.02 -1.58 0.00 -1.04 -4.81 121.76 116.11 1ir8 s ALA 42 Ca 0.33 1.40 0.01 0.00 0.00 0.00 0.00 51.96 53.70 1ir8 s ALA 42 Cb 0.17 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1ir8 s ALA 42 CO 0.27 -0.81 -0.05 0.95 0.00 0.00 0.00 175.76 176.12 1ir8 s THR 43 N 0.06 0.31 -0.14 0.00 -4.23 -1.26 -0.51 115.64 109.87 1ir8 s THR 43 Ca 0.61 -0.81 -0.06 0.00 -1.18 0.00 0.00 61.69 60.25 1ir8 s THR 43 Cb -0.44 -0.39 0.06 0.00 1.34 0.00 0.00 72.50 73.08 1ir8 s THR 43 CO 0.44 -0.33 0.31 0.20 -0.54 0.00 0.00 174.62 174.70 1ir8 s ASN 44 N -1.21 -0.07 0.13 3.99 0.01 -0.54 -4.96 114.94 112.29 1ir8 s ASN 44 Ca -0.10 0.69 -0.15 0.00 -0.71 0.00 0.00 52.86 52.60 1ir8 s ASN 44 Cb -0.08 0.74 -0.07 0.00 0.41 0.00 0.00 41.25 42.25 1ir8 s ASN 44 CO -0.00 -0.21 0.54 -0.60 -1.51 0.00 0.00 177.10 175.32 1ir8 s ARG 45 N 1.95 3.99 0.27 -0.60 3.52 -1.26 0.08 118.95 126.90 1ir8 s ARG 45 Ca -0.04 0.50 0.06 0.00 -0.13 0.00 0.00 55.73 56.13 1ir8 s ARG 45 Cb -0.11 -2.97 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 1ir8 s ARG 45 CO -0.10 0.50 0.28 -0.80 -0.81 0.00 0.00 175.30 174.37 1ir8 s ASN 46 N -1.65 5.75 0.35 -2.12 0.01 0.41 -4.97 114.94 112.73 1ir8 s ASN 46 Ca 0.36 -0.19 0.06 0.00 -0.71 0.00 0.00 52.86 52.39 1ir8 s ASN 46 Cb -0.15 -1.46 0.73 0.00 0.41 0.00 0.00 41.25 40.78 1ir8 s ASN 46 CO 0.19 -0.12 1.90 0.71 -1.51 0.00 0.00 177.10 178.28 1ir8 h THR 47 N 1.32 0.94 0.00 1.60 1.35 -1.98 -0.70 112.91 115.44 1ir8 h THR 47 Ca -0.49 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1ir8 h THR 47 Cb 1.24 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1ir8 h THR 47 CO 0.60 0.14 0.00 -0.90 -0.25 0.00 0.00 175.52 175.11 1ir8 n ASP 48 N -4.52 0.00 0.00 5.36 5.75 -1.26 -4.85 116.55 117.03 1ir8 n ASP 48 Ca 0.15 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.90 1ir8 n ASP 48 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1ir8 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ir8 n GLY 49 N 0.30 2.77 3.75 6.12 0.00 -0.27 -5.05 105.19 112.81 1ir8 n GLY 49 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1ir8 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ir8 s SER 50 N -1.44 3.24 0.01 1.61 1.04 -1.26 -4.76 113.70 112.14 1ir8 s SER 50 Ca 0.00 1.04 0.01 0.00 0.48 0.00 0.00 55.95 57.48 1ir8 s SER 50 Cb 0.00 -1.65 -0.01 0.00 0.10 0.00 0.00 66.02 64.46 1ir8 s SER 50 CO 0.00 -2.73 -0.04 -0.89 0.98 0.00 0.00 173.24 170.56 1ir8 s THR 51 N -3.17 0.26 -0.13 2.02 2.01 -1.26 -0.44 115.64 114.93 1ir8 s THR 51 Ca 0.64 -0.42 -0.08 0.00 0.31 0.00 0.00 61.69 62.15 1ir8 s THR 51 Cb -0.16 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 1ir8 s THR 51 CO 0.55 -0.11 0.14 -1.81 -0.69 0.00 0.00 174.62 172.70 1ir8 s ASP 52 N -0.56 6.37 -0.01 3.53 1.01 0.11 -0.89 116.67 126.23 1ir8 s ASP 52 Ca -0.04 0.44 0.05 0.00 0.71 0.00 0.00 52.55 53.71 1ir8 s ASP 52 Cb -0.04 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.80 1ir8 s ASP 52 CO -0.00 0.38 -0.16 -0.31 0.21 0.00 0.00 175.17 175.29 1ir8 s TYR 53 N -0.83 1.41 0.00 4.23 1.51 -0.06 -1.47 117.35 122.13 1ir8 s TYR 53 Ca 0.14 -0.27 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1ir8 s TYR 53 Cb -0.12 -0.91 0.00 0.00 -0.11 0.00 0.00 41.96 40.82 1ir8 s TYR 53 CO 0.03 -0.02 0.00 0.41 -1.11 0.00 0.00 175.55 174.86 1ir8 n GLY 54 N 2.69 -2.26 0.29 0.71 0.00 0.33 -1.69 105.19 105.26 1ir8 n GLY 54 Ca -0.14 -1.57 0.08 0.00 0.00 0.00 0.00 46.02 44.38 1ir8 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ir8 h ILE 55 N 0.00 1.01 -0.32 -0.61 2.10 -1.69 -1.69 117.51 116.31 1ir8 h ILE 55 Ca 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.87 1ir8 h ILE 55 Cb 0.00 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 36.51 1ir8 h ILE 55 CO 0.00 0.04 0.00 0.18 -1.08 0.00 0.00 178.15 177.29 1ir8 n LEU 56 N -4.50 3.21 -3.79 2.19 4.77 -1.26 -3.92 117.00 113.70 1ir8 n LEU 56 Ca 0.01 -2.31 -0.32 0.00 -0.03 0.00 0.00 56.01 53.35 1ir8 n LEU 56 Cb 0.13 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1ir8 n LEU 56 CO 0.35 0.71 -0.11 0.00 -1.33 0.00 0.00 177.39 177.00 1ir8 n GLN 57 N 0.19 -0.98 -3.00 3.23 1.13 -0.64 -4.93 117.38 112.38 1ir8 n GLN 57 Ca 0.14 0.49 -0.40 0.00 -1.94 0.00 0.00 57.00 55.30 1ir8 n GLN 57 Cb 0.57 -3.24 -0.05 0.00 0.11 0.00 0.00 30.24 27.62 1ir8 n GLN 57 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1ir8 s MET 58 N -5.96 4.47 0.14 -1.09 -1.94 -0.68 -4.44 119.30 109.80 1ir8 s MET 58 Ca 0.32 1.02 -0.30 0.00 -1.71 0.00 0.00 55.69 55.02 1ir8 s MET 58 Cb -0.15 -3.37 -0.07 0.00 2.01 0.00 0.00 34.83 33.25 1ir8 s MET 58 CO 0.90 0.26 1.13 1.21 -0.01 0.00 0.00 175.02 178.51 1ir8 s ASN 59 N 0.05 7.20 0.27 3.03 3.84 -1.26 -0.89 114.94 127.18 1ir8 s ASN 59 Ca 0.38 2.08 0.24 0.00 0.21 0.00 0.00 52.86 55.77 1ir8 s ASN 59 Cb -0.20 -2.60 0.98 0.00 -0.55 0.00 0.00 41.25 38.89 1ir8 s ASN 59 CO 0.22 -0.30 1.73 -1.54 -2.79 0.00 0.00 177.10 174.42 1ir8 n SER 60 N 2.81 0.73 0.18 -4.21 3.41 -0.07 -1.58 113.62 114.89 1ir8 n SER 60 Ca 0.04 0.67 0.04 0.00 -0.26 0.00 0.00 58.87 59.36 1ir8 n SER 60 Cb 0.46 -0.83 0.31 0.00 -0.26 0.00 0.00 64.21 63.90 1ir8 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ir8 h ARG 61 N 0.00 0.00 0.00 4.33 2.43 -1.83 -3.40 114.38 115.90 1ir8 h ARG 61 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ir8 h ARG 61 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1ir8 h ARG 61 CO 0.00 0.43 -0.89 0.91 -1.51 0.00 0.00 179.97 178.92 1ir8 n TRP 62 N -3.69 0.00 -0.01 2.20 7.02 -1.09 -0.93 117.44 120.94 1ir8 n TRP 62 Ca -0.01 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.35 1ir8 n TRP 62 Cb 0.51 0.02 -0.14 0.00 -2.42 0.00 0.00 31.31 29.28 1ir8 n TRP 62 CO 0.00 0.00 0.00 -1.49 -2.02 0.00 0.00 177.69 174.18 1ir8 h TRP 63 N 0.00 0.13 -4.26 -5.99 4.06 -1.53 0.28 115.95 108.64 1ir8 h TRP 63 Ca 0.00 -0.09 -0.17 0.00 2.06 0.00 0.00 58.89 60.69 1ir8 h TRP 63 Cb 0.89 -0.01 -0.14 0.00 -1.00 0.00 0.00 29.16 28.90 1ir8 h TRP 63 CO 0.00 1.20 -0.52 0.00 -3.56 0.00 0.00 178.44 175.56 1ir8 s ASN 65 N -3.05 5.31 0.00 0.00 2.47 -0.36 -4.42 114.94 114.90 1ir8 s ASN 65 Ca 0.25 -0.10 0.06 0.00 0.42 0.00 0.00 52.86 53.49 1ir8 s ASN 65 Cb 0.06 -1.94 0.12 0.00 -1.45 0.00 0.00 41.25 38.04 1ir8 s ASN 65 CO 0.04 0.05 0.97 -0.90 -3.72 0.00 0.00 177.10 173.53 1ir8 n ASP 66 N 4.37 2.12 0.00 -4.21 5.75 -1.26 -0.63 116.55 122.69 1ir8 n ASP 66 Ca -0.16 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 1ir8 n ASP 66 Cb 0.52 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1ir8 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ir8 n GLY 67 N 0.18 0.27 0.94 6.12 0.00 -1.26 -4.81 105.19 106.63 1ir8 n GLY 67 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 1ir8 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ir8 n ARG 68 N -1.14 0.00 -3.78 1.61 1.85 -1.26 -4.99 116.66 108.95 1ir8 n ARG 68 Ca 0.00 -1.32 -0.30 0.00 -1.00 0.00 0.00 57.85 55.24 1ir8 n ARG 68 Cb 0.23 -0.17 -0.13 0.00 -1.05 0.00 0.00 32.46 31.33 1ir8 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ir8 s THR 69 N 0.00 1.73 0.09 8.89 2.01 -1.26 -4.91 115.64 122.19 1ir8 s THR 69 Ca 0.14 -2.72 -0.34 0.00 0.31 0.00 0.00 61.69 59.08 1ir8 s THR 69 Cb 0.16 -2.21 -0.13 0.00 0.01 0.00 0.00 72.50 70.33 1ir8 s THR 69 CO -0.07 -0.85 1.66 -2.65 -0.69 0.00 0.00 174.62 172.02 1ir8 n PRO 70 N 3.49 2.16 -0.64 4.92 -0.02 -1.26 -1.40 135.00 142.25 1ir8 n PRO 70 Ca 0.07 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1ir8 n PRO 70 Cb 0.34 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 1ir8 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ir8 n GLY 71 N 3.68 0.72 3.73 -1.23 0.00 -1.26 -5.03 105.19 105.80 1ir8 n GLY 71 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1ir8 n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ir8 n SER 72 N 0.00 2.91 0.05 1.61 2.88 -0.49 -4.94 113.62 115.63 1ir8 n SER 72 Ca 0.00 1.11 0.08 0.00 -1.33 0.00 0.00 58.87 58.73 1ir8 n SER 72 Cb 0.00 -1.55 -0.07 0.00 -0.75 0.00 0.00 64.21 61.84 1ir8 n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ir8 n ARG 73 N -0.07 0.63 -4.02 -1.46 1.74 -0.11 -4.98 116.66 108.40 1ir8 n ARG 73 Ca 0.06 0.05 -0.27 0.00 -0.77 0.00 0.00 57.85 56.91 1ir8 n ARG 73 Cb 0.40 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 1ir8 n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ir8 n ASN 74 N -2.61 -0.40 0.31 0.55 5.15 -0.74 -4.89 115.26 112.62 1ir8 n ASN 74 Ca -0.05 -1.07 0.19 0.00 -0.60 0.00 0.00 54.58 53.04 1ir8 n ASN 74 Cb 0.65 -2.73 0.98 0.00 -0.53 0.00 0.00 39.78 38.15 1ir8 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ir8 h LEU 75 N -1.85 0.00 -1.72 1.20 3.38 -0.53 -1.30 115.31 114.48 1ir8 h LEU 75 Ca -0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1ir8 h LEU 75 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1ir8 h LEU 75 CO 0.63 0.03 0.00 0.00 0.09 0.00 0.00 178.44 179.19 1ir8 n ASN 77 N 0.99 -3.25 -3.75 0.00 6.94 -0.49 -4.99 115.26 110.72 1ir8 n ASN 77 Ca 0.17 -1.07 -0.13 0.00 -0.02 0.00 0.00 54.58 53.52 1ir8 n ASN 77 Cb 0.51 -2.91 -0.08 0.00 -2.36 0.00 0.00 39.78 34.94 1ir8 n ASN 77 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1ir8 s ILE 78 N -3.67 0.06 0.39 1.53 -4.36 -1.26 -5.07 121.20 108.81 1ir8 s ILE 78 Ca 0.31 -0.48 -0.25 0.00 -0.26 0.00 0.00 60.65 59.97 1ir8 s ILE 78 Cb -0.13 -0.69 -0.09 0.00 1.25 0.00 0.00 42.46 42.80 1ir8 s ILE 78 CO 0.90 -0.27 1.06 -2.16 0.24 0.00 0.00 174.94 174.71 1ir8 s PRO 79 N -1.53 4.20 0.56 0.37 0.04 -1.26 -1.22 135.00 136.16 1ir8 s PRO 79 Ca -0.12 1.56 0.26 0.00 0.04 0.00 0.00 61.00 62.74 1ir8 s PRO 79 Cb -0.04 -2.61 1.50 0.00 0.04 0.00 0.00 34.50 33.39 1ir8 s PRO 79 CO 0.03 -0.12 2.06 0.00 0.04 0.00 0.00 177.00 179.01 1ir8 h SER 81 N 0.00 0.00 -0.06 0.00 4.64 -1.91 -1.22 113.55 115.00 1ir8 h SER 81 Ca 0.14 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1ir8 h SER 81 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1ir8 h SER 81 CO -0.00 0.03 0.03 0.00 -0.87 0.00 0.00 176.83 176.02 1ir8 h ALA 82 N 1.97 1.86 0.00 5.18 0.00 -1.71 -1.69 119.26 124.87 1ir8 h ALA 82 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ir8 h ALA 82 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ir8 h ALA 82 CO 0.00 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.65 1ir8 n LEU 83 N -4.48 0.00 -0.69 0.00 4.77 -0.46 -3.03 117.00 113.11 1ir8 n LEU 83 Ca -0.01 0.42 0.12 0.00 -0.03 0.00 0.00 56.01 56.50 1ir8 n LEU 83 Cb 0.12 -0.42 0.11 0.00 -2.33 0.00 0.00 43.42 40.89 1ir8 n LEU 83 CO 0.35 -0.13 0.52 0.18 -1.33 0.00 0.00 177.39 176.98 1ir8 n LEU 84 N -1.42 2.36 -4.72 2.23 4.77 -0.64 -4.18 117.00 115.40 1ir8 n LEU 84 Ca 0.07 -0.81 -0.33 0.00 -0.03 0.00 0.00 56.01 54.90 1ir8 n LEU 84 Cb 0.21 -0.01 0.11 0.00 -2.33 0.00 0.00 43.42 41.40 1ir8 n LEU 84 CO 0.18 0.41 0.75 -0.55 -1.33 0.00 0.00 177.39 176.85 1ir8 s SER 85 N -2.23 3.96 0.46 -1.43 0.15 -1.17 -4.15 113.70 109.30 1ir8 s SER 85 Ca 0.25 2.21 0.26 0.00 0.70 0.00 0.00 55.95 59.36 1ir8 s SER 85 Cb 0.19 -2.57 0.99 0.00 -1.71 0.00 0.00 66.02 62.92 1ir8 s SER 85 CO 0.43 -2.41 1.85 0.77 1.20 0.00 0.00 173.24 175.08 1ir8 h SER 86 N -0.82 0.00 -3.49 5.45 4.64 -1.94 -3.40 113.55 113.99 1ir8 h SER 86 Ca -0.46 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.26 1ir8 h SER 86 Cb 1.27 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.26 1ir8 h SER 86 CO 0.48 0.17 0.41 -0.62 -0.87 0.00 0.00 176.83 176.39 1ir8 s ASP 87 N -6.08 6.60 0.00 4.97 -1.08 -1.26 -4.94 116.67 114.88 1ir8 s ASP 87 Ca 0.01 0.49 0.31 0.00 -0.52 0.00 0.00 52.55 52.84 1ir8 s ASP 87 Cb 0.10 -2.41 1.80 0.00 -1.46 0.00 0.00 42.92 40.95 1ir8 s ASP 87 CO 0.62 -0.70 2.17 2.30 0.52 0.00 0.00 175.17 180.08 1ir8 n ILE 88 N 5.72 0.00 -0.22 4.11 -5.35 -1.26 -4.34 119.36 118.02 1ir8 n ILE 88 Ca 0.04 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.50 1ir8 n ILE 88 Cb 0.48 -0.51 0.04 0.00 -1.74 0.00 0.00 39.64 37.92 1ir8 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ir8 h THR 89 N 0.00 0.26 -0.59 7.28 2.02 -1.95 0.11 112.91 120.03 1ir8 h THR 89 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1ir8 h THR 89 Cb 0.07 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 1ir8 h THR 89 CO 0.00 0.00 0.34 0.00 0.37 0.00 0.00 175.52 176.23 1ir8 h ALA 90 N 1.38 0.76 -0.67 6.16 0.00 -1.88 -0.86 119.26 124.15 1ir8 h ALA 90 Ca 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ir8 h ALA 90 Cb 0.52 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ir8 h ALA 90 CO -0.69 0.26 0.39 0.77 0.00 0.00 0.00 179.25 179.98 1ir8 h SER 91 N 0.80 0.81 -0.27 0.00 0.02 -1.56 -1.52 113.55 111.83 1ir8 h SER 91 Ca 0.21 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1ir8 h SER 91 Cb 0.02 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1ir8 h SER 91 CO -0.04 0.65 0.09 0.58 -1.14 0.00 0.00 176.83 176.98 1ir8 h VAL 92 N 0.91 1.19 -0.80 2.27 2.07 -0.48 -0.27 116.25 121.14 1ir8 h VAL 92 Ca 0.24 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1ir8 h VAL 92 Cb 0.00 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1ir8 h VAL 92 CO -0.04 0.20 0.47 0.78 0.02 0.00 0.00 177.57 179.00 1ir8 h ASN 93 N 0.28 0.97 -0.40 0.57 -0.26 -0.94 -1.38 115.58 114.43 1ir8 h ASN 93 Ca 0.09 -0.08 -0.08 0.00 -0.56 0.00 0.00 56.30 55.67 1ir8 h ASN 93 Cb 0.22 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1ir8 h ASN 93 CO -0.00 0.76 -0.06 0.00 -1.06 0.00 0.00 177.43 177.07 1ir8 h ALA 95 N 0.86 1.40 -0.82 0.00 0.00 -0.58 -0.62 119.26 119.50 1ir8 h ALA 95 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ir8 h ALA 95 Cb 0.57 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1ir8 h ALA 95 CO 0.03 0.47 0.44 0.87 0.00 0.00 0.00 179.25 181.06 1ir8 h LYS 96 N 1.19 1.14 -0.29 0.00 1.57 -1.10 -0.41 116.57 118.67 1ir8 h LYS 96 Ca 0.42 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 1ir8 h LYS 96 Cb 0.13 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1ir8 h LYS 96 CO -0.16 0.84 -0.00 0.87 -0.57 0.00 0.00 179.45 180.43 1ir8 h LYS 97 N 1.14 0.51 0.05 3.15 1.57 -0.91 -2.93 116.57 119.15 1ir8 h LYS 97 Ca 0.29 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1ir8 h LYS 97 Cb 0.04 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1ir8 h LYS 97 CO -0.05 0.66 -0.03 0.82 -0.57 0.00 0.00 179.45 180.28 1ir8 h ILE 98 N 0.30 0.92 0.00 1.86 2.04 -0.81 -2.61 117.51 119.21 1ir8 h ILE 98 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1ir8 h ILE 98 Cb 0.43 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1ir8 h ILE 98 CO 0.02 0.00 -0.04 1.62 0.00 0.00 0.00 178.15 179.75 1ir8 h VAL 99 N -0.09 0.18 -0.01 1.67 3.04 -1.13 -0.00 116.25 119.91 1ir8 h VAL 99 Ca -0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1ir8 h VAL 99 Cb 0.08 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 1ir8 h VAL 99 CO 0.00 0.04 -0.23 -1.20 -1.01 0.00 0.00 177.57 175.17 1ir8 n SER 100 N -3.26 0.82 0.00 3.17 7.64 -1.01 -3.57 113.62 117.41 1ir8 n SER 100 Ca -0.01 -0.73 0.04 0.00 1.01 0.00 0.00 58.87 59.18 1ir8 n SER 100 Cb 0.20 0.07 0.23 0.00 -1.01 0.00 0.00 64.21 63.70 1ir8 n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ir8 n ASP 101 N -0.81 0.00 0.00 6.43 -0.08 -0.02 -4.85 116.55 117.23 1ir8 n ASP 101 Ca 0.12 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 1ir8 n ASP 101 Cb 0.33 -0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.57 1ir8 n ASP 101 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ir8 n GLY 102 N -0.53 1.53 1.17 0.27 0.00 -1.26 -4.89 105.19 101.48 1ir8 n GLY 102 Ca 0.05 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.89 1ir8 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ir8 n ASN 103 N 0.06 3.46 0.00 1.61 5.03 -1.26 -5.06 115.26 119.10 1ir8 n ASN 103 Ca 0.00 -1.98 0.00 0.00 0.87 0.00 0.00 54.58 53.47 1ir8 n ASN 103 Cb 0.00 -0.31 0.00 0.00 -1.02 0.00 0.00 39.78 38.45 1ir8 n ASN 103 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ir8 n GLY 104 N 1.52 1.91 0.00 7.41 0.00 -1.23 -2.26 105.19 112.54 1ir8 n GLY 104 Ca 0.20 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.86 1ir8 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ir8 n MET 105 N 7.15 0.52 0.16 1.61 2.81 -1.26 -3.04 117.12 125.06 1ir8 n MET 105 Ca 0.00 0.04 0.12 0.00 -1.81 0.00 0.00 57.70 56.05 1ir8 n MET 105 Cb 0.00 -1.50 0.57 0.00 -0.71 0.00 0.00 33.22 31.58 1ir8 n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1ir8 h ASN 106 N 0.00 0.00 -0.03 7.83 2.35 -1.87 -1.68 115.58 122.18 1ir8 h ASN 106 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1ir8 h ASN 106 Cb 0.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 1ir8 h ASN 106 CO 0.00 0.00 0.03 0.00 -1.65 0.00 0.00 177.43 175.81 1ir8 h ALA 107 N 2.13 1.65 -2.48 -0.83 0.00 -1.71 -3.36 119.26 114.67 1ir8 h ALA 107 Ca 0.00 -0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.18 1ir8 h ALA 107 Cb 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.78 1ir8 h ALA 107 CO 0.00 -0.04 -0.39 -1.58 0.00 0.00 0.00 179.25 177.23 1ir8 s TRP 108 N -4.71 3.26 0.36 0.00 0.51 -0.63 -4.97 118.94 112.75 1ir8 s TRP 108 Ca -0.05 -0.94 0.07 0.00 -2.12 0.00 0.00 56.10 53.07 1ir8 s TRP 108 Cb 0.15 -2.92 0.78 0.00 -0.81 0.00 0.00 33.47 30.68 1ir8 s TRP 108 CO 0.57 -0.74 1.92 -0.24 -0.51 0.00 0.00 176.95 177.95 1ir8 h VAL 109 N 5.79 0.94 -0.13 4.03 3.04 -1.85 -0.80 116.25 127.26 1ir8 h VAL 109 Ca -0.27 -0.25 -0.10 0.00 -1.01 0.00 0.00 66.70 65.07 1ir8 h VAL 109 Cb 1.11 0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.52 1ir8 h VAL 109 CO 0.80 0.13 -0.37 0.00 -1.01 0.00 0.00 177.57 177.12 1ir8 h ALA 110 N 1.60 1.13 0.00 3.17 0.00 -1.93 0.02 119.26 123.25 1ir8 h ALA 110 Ca 0.37 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ir8 h ALA 110 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ir8 h ALA 110 CO -0.15 0.57 -0.00 2.35 0.00 0.00 0.00 179.25 182.02 1ir8 h TRP 111 N 0.24 -0.00 -0.82 0.00 7.01 -1.48 0.06 115.95 120.96 1ir8 h TRP 111 Ca 0.03 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.07 1ir8 h TRP 111 Cb 0.77 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 27.77 1ir8 h TRP 111 CO 0.02 0.34 0.51 -0.09 -2.79 0.00 0.00 178.44 176.43 1ir8 h ARG 112 N -0.35 0.94 0.00 2.65 2.43 -1.10 0.14 114.38 119.10 1ir8 h ARG 112 Ca -0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1ir8 h ARG 112 Cb 0.35 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1ir8 h ARG 112 CO 0.00 0.62 -0.62 -0.91 -1.51 0.00 0.00 179.97 177.55 1ir8 h ASN 113 N 0.97 0.00 0.00 -3.80 2.35 -0.94 -3.38 115.58 110.79 1ir8 h ASN 113 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1ir8 h ASN 113 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1ir8 h ASN 113 CO -0.14 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.18 1ir8 n ARG 114 N -2.84 1.31 -0.01 0.81 1.74 -0.00 -4.90 116.66 112.76 1ir8 n ARG 114 Ca 0.02 -0.07 -0.02 0.00 -0.77 0.00 0.00 57.85 57.00 1ir8 n ARG 114 Cb 0.54 -0.38 -0.01 0.00 -1.02 0.00 0.00 32.46 31.60 1ir8 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ir8 n LYS 116 N -2.92 1.25 -1.10 0.00 4.81 0.32 -1.36 118.16 119.15 1ir8 n LYS 116 Ca -0.05 0.45 -0.03 0.00 -0.87 0.00 0.00 58.31 57.81 1ir8 n LYS 116 Cb 0.54 -2.12 -0.01 0.00 0.02 0.00 0.00 35.03 33.46 1ir8 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ir8 n GLY 117 N 3.01 0.62 3.85 3.14 0.00 -1.26 -4.97 105.19 109.58 1ir8 n GLY 117 Ca 0.20 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1ir8 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ir8 s THR 118 N -1.94 1.96 -1.34 2.61 -4.23 -0.47 -5.01 115.64 107.22 1ir8 s THR 118 Ca 0.00 -1.55 -0.16 0.00 -1.18 0.00 0.00 61.69 58.80 1ir8 s THR 118 Cb 0.00 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.35 1ir8 s THR 118 CO 0.00 0.00 2.06 -0.67 -0.54 0.00 0.00 174.62 175.47 1ir8 n ASP 119 N -1.56 3.98 0.30 3.99 2.03 -1.26 -4.73 116.55 119.30 1ir8 n ASP 119 Ca -0.02 -2.84 0.20 0.00 0.52 0.00 0.00 54.79 52.65 1ir8 n ASP 119 Cb 0.64 -1.63 1.06 0.00 -0.72 0.00 0.00 41.12 40.46 1ir8 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1ir8 h VAL 120 N 4.53 0.00 0.00 5.18 -1.51 -1.91 -0.51 116.25 122.03 1ir8 h VAL 120 Ca 0.51 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.96 1ir8 h VAL 120 Cb 0.71 0.86 -0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1ir8 h VAL 120 CO 1.76 0.00 -0.09 1.56 -1.23 0.00 0.00 177.57 179.57 1ir8 h GLN 121 N 0.00 0.00 -0.15 5.19 7.50 -1.89 -1.77 115.11 123.99 1ir8 h GLN 121 Ca 0.00 0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.19 1ir8 h GLN 121 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.59 1ir8 h GLN 121 CO 0.00 0.09 0.12 0.00 -1.50 0.00 0.00 178.83 177.54 1ir8 h ALA 122 N 1.91 2.07 0.00 3.87 0.00 -1.49 -2.06 119.26 123.56 1ir8 h ALA 122 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ir8 h ALA 122 Cb 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ir8 h ALA 122 CO 0.01 -0.20 -0.01 -1.49 0.00 0.00 0.00 179.25 177.56 1ir8 h TRP 123 N 0.00 0.00 -0.09 0.00 4.06 -1.52 -2.74 115.95 115.66 1ir8 h TRP 123 Ca 0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.02 1ir8 h TRP 123 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 1ir8 h TRP 123 CO 0.00 0.01 0.00 0.44 -3.56 0.00 0.00 178.44 175.33 1ir8 n ILE 124 N -3.12 0.52 -1.80 1.49 -5.35 -0.79 -4.83 119.36 105.47 1ir8 n ILE 124 Ca -0.01 -0.76 -0.41 0.00 -0.27 0.00 0.00 62.75 61.30 1ir8 n ILE 124 Cb 0.22 0.79 -0.01 0.00 -1.74 0.00 0.00 39.64 38.90 1ir8 n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1ir8 s ARG 125 N -0.73 4.13 0.00 6.28 0.52 -1.04 -2.16 118.95 125.96 1ir8 s ARG 125 Ca 0.09 2.55 0.00 0.00 -0.52 0.00 0.00 55.73 57.85 1ir8 s ARG 125 Cb 0.05 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.50 1ir8 s ARG 125 CO 0.07 -0.60 0.00 0.41 0.02 0.00 0.00 175.30 175.20 1ir8 n GLY 126 N 1.94 1.81 3.81 -3.53 0.00 -1.26 -5.03 105.19 102.93 1ir8 n GLY 126 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1ir8 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ir8 s ARG 128 N -1.57 3.24 0.00 0.00 3.52 -1.26 -5.13 118.95 117.75 1ir8 s ARG 128 Ca 0.37 -0.53 0.05 0.00 -0.13 0.00 0.00 55.73 55.49 1ir8 s ARG 128 Cb -0.18 -4.09 0.04 0.00 -1.56 0.00 0.00 34.95 29.16 1ir8 s ARG 128 CO 0.21 -1.43 0.67 1.28 -0.81 0.00 0.00 175.30 175.22