#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ir9 s VAL 2 N 0.00 5.24 0.61 3.15 1.01 -1.26 -1.39 120.40 127.77 1ir9 s VAL 2 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 1ir9 s VAL 2 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1ir9 s VAL 2 CO 0.00 -0.23 1.03 -0.36 0.00 0.00 0.00 175.10 175.55 1ir9 s PHE 3 N 1.76 3.30 0.22 5.22 0.40 0.33 -4.99 117.98 124.22 1ir9 s PHE 3 Ca 0.06 1.42 -0.02 0.00 -0.60 0.00 0.00 56.93 57.79 1ir9 s PHE 3 Cb -0.18 -2.85 -0.05 0.00 0.51 0.00 0.00 43.02 40.45 1ir9 s PHE 3 CO 0.11 -0.86 0.44 0.20 0.70 0.00 0.00 175.22 175.81 1ir9 s GLY 4 N -3.48 1.86 0.15 4.36 0.00 -1.26 -4.84 107.32 104.11 1ir9 s GLY 4 Ca 0.59 -0.71 -0.30 0.00 0.00 0.00 0.00 44.72 44.30 1ir9 s GLY 4 CO 0.45 -0.64 1.56 -0.09 0.00 0.00 0.00 173.10 174.37 1ir9 h ARG 5 N 1.99 -0.29 -0.01 2.90 2.43 -1.97 -0.92 114.38 118.51 1ir9 h ARG 5 Ca -0.48 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 58.60 1ir9 h ARG 5 Cb 1.19 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1ir9 h ARG 5 CO 0.68 -0.19 -0.55 0.00 -1.51 0.00 0.00 179.97 178.40 1ir9 h GLU 7 N 0.01 0.87 -0.41 0.00 4.81 -1.82 -2.32 114.58 115.72 1ir9 h GLU 7 Ca -0.00 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 58.94 1ir9 h GLU 7 Cb 0.97 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1ir9 h GLU 7 CO 0.07 0.82 -0.04 1.25 -0.73 0.00 0.00 179.01 180.38 1ir9 h LEU 8 N 0.77 0.74 -0.76 1.64 5.85 -1.06 -1.73 115.31 120.76 1ir9 h LEU 8 Ca 0.17 -0.33 0.07 0.00 0.84 0.00 0.00 57.88 58.62 1ir9 h LEU 8 Cb 0.35 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1ir9 h LEU 8 CO 0.00 0.90 0.44 0.00 -0.34 0.00 0.00 178.44 179.45 1ir9 h ALA 9 N 0.87 1.04 -0.37 1.25 0.00 -1.32 -0.11 119.26 120.62 1ir9 h ALA 9 Ca 0.11 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1ir9 h ALA 9 Cb 0.55 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ir9 h ALA 9 CO 0.03 0.14 -0.40 0.00 0.00 0.00 0.00 179.25 179.01 1ir9 h ALA 10 N 1.38 0.59 -0.60 0.00 0.00 -1.28 -1.74 119.26 117.61 1ir9 h ALA 10 Ca 0.34 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1ir9 h ALA 10 Cb 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1ir9 h ALA 10 CO -0.19 0.68 0.06 0.00 0.00 0.00 0.00 179.25 179.79 1ir9 h ALA 11 N 0.80 0.80 -0.42 0.00 0.00 -0.69 -2.15 119.26 117.60 1ir9 h ALA 11 Ca 0.06 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1ir9 h ALA 11 Cb 0.99 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1ir9 h ALA 11 CO 0.10 0.59 -0.16 0.52 0.00 0.00 0.00 179.25 180.30 1ir9 h MET 12 N 0.92 0.79 -0.28 0.00 2.86 -0.98 -2.28 114.93 115.95 1ir9 h MET 12 Ca 0.18 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1ir9 h MET 12 Cb 0.48 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1ir9 h MET 12 CO 0.02 0.90 0.05 -0.22 1.06 0.00 0.00 176.91 178.71 1ir9 h LYS 13 N 0.70 0.46 -0.02 1.72 3.64 -1.21 -1.13 116.57 120.74 1ir9 h LYS 13 Ca 0.11 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1ir9 h LYS 13 Cb 0.65 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1ir9 h LYS 13 CO 0.05 0.57 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.69 1ir9 h ARG 14 N 0.28 0.03 -0.43 1.90 2.43 -1.32 0.02 114.38 117.30 1ir9 h ARG 14 Ca 0.09 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1ir9 h ARG 14 Cb 0.33 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1ir9 h ARG 14 CO 0.00 0.06 0.00 0.72 -1.51 0.00 0.00 179.97 179.24 1ir9 n HIS 15 N -4.49 0.54 -1.25 2.20 8.25 -0.86 -4.92 115.22 114.68 1ir9 n HIS 15 Ca -0.03 -0.25 -0.04 0.00 -0.26 0.00 0.00 57.72 57.15 1ir9 n HIS 15 Cb 0.12 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 1ir9 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ir9 n GLY 16 N 0.90 0.63 0.12 -1.41 0.00 -0.01 -4.96 105.19 100.46 1ir9 n GLY 16 Ca 0.12 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.29 1ir9 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ir9 h LEU 17 N 0.00 0.00 -9.09 0.99 3.38 -1.38 -3.40 115.31 105.81 1ir9 h LEU 17 Ca -0.09 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.30 1ir9 h LEU 17 Cb 0.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1ir9 h LEU 17 CO 0.12 0.52 1.34 -0.67 0.09 0.00 0.00 178.44 179.84 1ir9 n ASP 18 N -3.07 3.43 -0.65 -0.43 2.03 -1.26 -1.25 116.55 115.35 1ir9 n ASP 18 Ca -0.03 0.58 -0.08 0.00 0.52 0.00 0.00 54.79 55.77 1ir9 n ASP 18 Cb 0.77 -1.48 -0.04 0.00 -0.72 0.00 0.00 41.12 39.66 1ir9 n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1ir9 n ASN 19 N 9.33 -4.64 -4.69 1.67 4.13 0.28 -4.89 115.26 116.45 1ir9 n ASN 19 Ca 0.27 0.21 -0.42 0.00 1.68 0.00 0.00 54.58 56.32 1ir9 n ASN 19 Cb 0.38 -2.88 -0.03 0.00 -1.54 0.00 0.00 39.78 35.71 1ir9 n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1ir9 s TYR 20 N -2.10 2.56 -1.71 3.10 5.04 -0.38 -1.19 117.35 122.66 1ir9 s TYR 20 Ca 0.00 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.10 1ir9 s TYR 20 Cb 0.00 -3.88 0.00 0.00 0.35 0.00 0.00 41.96 38.43 1ir9 s TYR 20 CO 0.00 -3.45 0.00 0.54 -1.34 0.00 0.00 175.55 171.30 1ir9 n ARG 21 N 5.51 -1.74 -1.00 4.97 5.12 -1.26 -1.91 116.66 126.34 1ir9 n ARG 21 Ca 0.15 0.97 0.00 0.00 -1.93 0.00 0.00 57.85 57.04 1ir9 n ARG 21 Cb 0.41 -5.61 0.00 0.00 -1.16 0.00 0.00 32.46 26.11 1ir9 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ir9 n GLY 22 N -0.95 0.66 3.54 -0.13 0.00 -0.33 -5.02 105.19 102.95 1ir9 n GLY 22 Ca -0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1ir9 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ir9 s TYR 23 N -2.64 3.23 0.85 1.61 2.02 -0.80 -4.91 117.35 116.71 1ir9 s TYR 23 Ca 0.00 -0.16 -0.12 0.00 -0.37 0.00 0.00 57.07 56.42 1ir9 s TYR 23 Cb 0.00 -2.47 0.11 0.00 -0.40 0.00 0.00 41.96 39.20 1ir9 s TYR 23 CO 0.00 -0.34 1.17 -1.54 -1.57 0.00 0.00 175.55 173.28 1ir9 s SER 24 N 1.73 3.33 0.42 2.29 1.04 -1.26 -0.56 113.70 120.69 1ir9 s SER 24 Ca 0.06 2.27 0.14 0.00 0.48 0.00 0.00 55.95 58.90 1ir9 s SER 24 Cb -0.17 -2.58 1.00 0.00 0.10 0.00 0.00 66.02 64.37 1ir9 s SER 24 CO 0.11 -2.83 1.93 0.25 0.98 0.00 0.00 173.24 173.67 1ir9 h LEU 25 N -1.33 0.43 -1.85 2.42 5.85 -1.90 -0.51 115.31 118.42 1ir9 h LEU 25 Ca -0.45 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.33 1ir9 h LEU 25 Cb 1.28 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1ir9 h LEU 25 CO 0.44 0.24 0.19 1.23 -0.34 0.00 0.00 178.44 180.20 1ir9 h GLY 26 N 0.47 0.22 0.87 3.75 0.00 -1.90 -2.22 103.07 104.26 1ir9 h GLY 26 Ca 0.35 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.56 1ir9 h GLY 26 CO -0.12 0.06 -0.00 3.43 0.00 0.00 0.00 176.54 179.91 1ir9 h ASN 27 N 0.19 0.49 -0.32 0.19 2.35 -1.33 -1.91 115.58 115.24 1ir9 h ASN 27 Ca 0.12 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 55.46 1ir9 h ASN 27 Cb 0.24 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1ir9 h ASN 27 CO -0.02 0.69 -0.12 -0.50 -1.65 0.00 0.00 177.43 175.82 1ir9 h TRP 28 N 0.29 0.84 -0.25 1.19 4.06 -1.50 -0.65 115.95 119.92 1ir9 h TRP 28 Ca 0.08 -0.15 -0.18 0.00 2.06 0.00 0.00 58.89 60.69 1ir9 h TRP 28 Cb 0.44 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 1ir9 h TRP 28 CO 0.04 0.84 -0.56 0.28 -3.56 0.00 0.00 178.44 175.47 1ir9 h VAL 29 N 0.69 1.28 -0.34 1.49 2.07 -1.42 -2.33 116.25 117.69 1ir9 h VAL 29 Ca 0.11 -1.76 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 1ir9 h VAL 29 Cb 0.60 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1ir9 h VAL 29 CO 0.04 0.57 0.11 0.00 0.02 0.00 0.00 177.57 178.30 1ir9 h ALA 31 N 0.95 0.51 -0.71 0.00 0.00 -1.12 -1.85 119.26 117.04 1ir9 h ALA 31 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ir9 h ALA 31 Cb 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ir9 h ALA 31 CO -0.00 -0.08 0.33 0.00 0.00 0.00 0.00 179.25 179.49 1ir9 h ALA 32 N 1.17 0.92 0.20 0.00 0.00 -1.19 0.17 119.26 120.53 1ir9 h ALA 32 Ca 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ir9 h ALA 32 Cb -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1ir9 h ALA 32 CO -0.07 0.50 -0.31 -0.22 0.00 0.00 0.00 179.25 179.15 1ir9 h LYS 33 N 1.00 -0.56 0.00 0.00 1.63 -0.79 -0.51 116.57 117.35 1ir9 h LYS 33 Ca 0.24 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1ir9 h LYS 33 Cb 0.14 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1ir9 h LYS 33 CO -0.03 -0.37 0.00 0.74 -3.45 0.00 0.00 179.45 176.34 1ir9 h PHE 34 N -0.58 0.00 0.00 1.91 0.04 -1.19 0.28 116.94 117.40 1ir9 h PHE 34 Ca 0.01 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 1ir9 h PHE 34 Cb 0.57 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1ir9 h PHE 34 CO -0.24 0.00 -0.54 0.93 -0.60 0.00 0.00 178.31 177.86 1ir9 h GLU 35 N 0.00 0.00 0.00 1.51 4.39 -0.45 -3.43 114.58 116.59 1ir9 h GLU 35 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ir9 h GLU 35 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1ir9 h GLU 35 CO 0.00 0.82 0.00 -1.13 -1.16 0.00 0.00 179.01 177.54 1ir9 n SER 36 N -4.56 0.22 -2.64 1.42 3.41 -0.27 -4.88 113.62 106.32 1ir9 n SER 36 Ca -0.17 -0.57 -0.17 0.00 -0.26 0.00 0.00 58.87 57.70 1ir9 n SER 36 Cb 0.49 0.63 0.05 0.00 -0.26 0.00 0.00 64.21 65.13 1ir9 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ir9 n ASN 37 N -0.63 -5.07 -0.75 4.04 5.15 0.09 -2.43 115.26 115.66 1ir9 n ASN 37 Ca 0.00 -0.37 -0.10 0.00 -0.60 0.00 0.00 54.58 53.52 1ir9 n ASN 37 Cb 0.01 -3.67 -0.04 0.00 -0.53 0.00 0.00 39.78 35.54 1ir9 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ir9 n PHE 38 N -4.25 0.00 -3.51 1.20 3.72 -1.20 -4.85 117.46 108.56 1ir9 n PHE 38 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 1ir9 n PHE 38 Cb 0.54 -2.22 -0.10 0.00 -0.94 0.00 0.00 39.48 36.77 1ir9 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ir9 s ASN 39 N -2.55 6.08 0.50 4.37 2.47 -1.02 -0.51 114.94 124.28 1ir9 s ASN 39 Ca 0.00 -0.53 0.20 0.00 0.42 0.00 0.00 52.86 52.95 1ir9 s ASN 39 Cb 0.00 -2.15 1.31 0.00 -1.45 0.00 0.00 41.25 38.96 1ir9 s ASN 39 CO 0.00 -0.30 2.09 0.71 -3.72 0.00 0.00 177.10 175.88 1ir9 h THR 40 N 5.53 0.87 -0.24 -5.21 1.35 -1.55 -2.68 112.91 110.98 1ir9 h THR 40 Ca -0.30 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1ir9 h THR 40 Cb 1.15 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1ir9 h THR 40 CO 0.66 0.10 0.00 0.00 -0.25 0.00 0.00 175.52 176.03 1ir9 n GLN 41 N -4.13 1.62 -2.26 4.72 6.02 -1.26 -3.89 117.38 118.20 1ir9 n GLN 41 Ca -0.03 -0.96 -0.41 0.00 -0.01 0.00 0.00 57.00 55.60 1ir9 n GLN 41 Cb 0.18 -1.25 -0.03 0.00 1.02 0.00 0.00 30.24 30.16 1ir9 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ir9 s ALA 42 N -1.68 3.49 0.01 -1.58 0.00 -1.01 -4.82 121.76 116.17 1ir9 s ALA 42 Ca 0.21 1.07 -0.00 0.00 0.00 0.00 0.00 51.96 53.25 1ir9 s ALA 42 Cb 0.11 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1ir9 s ALA 42 CO 0.16 -0.48 -0.02 0.95 0.00 0.00 0.00 175.76 176.36 1ir9 s THR 43 N -0.12 0.07 -0.10 0.00 -4.23 -1.26 -0.58 115.64 109.43 1ir9 s THR 43 Ca 0.54 -0.62 -0.05 0.00 -1.18 0.00 0.00 61.69 60.38 1ir9 s THR 43 Cb -0.36 -0.18 0.04 0.00 1.34 0.00 0.00 72.50 73.35 1ir9 s THR 43 CO 0.39 -0.34 0.23 0.20 -0.54 0.00 0.00 174.62 174.57 1ir9 s ASN 44 N -0.99 -0.24 0.10 3.99 0.01 -0.60 -4.96 114.94 112.25 1ir9 s ASN 44 Ca -0.11 0.49 -0.22 0.00 -0.71 0.00 0.00 52.86 52.31 1ir9 s ASN 44 Cb -0.07 0.39 -0.07 0.00 0.41 0.00 0.00 41.25 41.91 1ir9 s ASN 44 CO -0.01 -0.15 0.66 -0.13 -1.51 0.00 0.00 177.10 175.96 1ir9 s ARG 45 N 1.09 4.37 0.32 -0.60 1.81 -1.26 -0.08 118.95 124.59 1ir9 s ARG 45 Ca -0.08 0.92 0.06 0.00 -1.72 0.00 0.00 55.73 54.91 1ir9 s ARG 45 Cb -0.09 -3.26 -0.01 0.00 -0.45 0.00 0.00 34.95 31.13 1ir9 s ARG 45 CO -0.07 0.58 0.45 -0.80 -0.68 0.00 0.00 175.30 174.78 1ir9 s ASN 46 N -1.01 6.04 0.47 0.23 0.01 0.43 -4.96 114.94 116.15 1ir9 s ASN 46 Ca 0.32 -0.14 0.19 0.00 -0.71 0.00 0.00 52.86 52.53 1ir9 s ASN 46 Cb -0.21 -1.35 1.17 0.00 0.41 0.00 0.00 41.25 41.27 1ir9 s ASN 46 CO 0.22 -0.36 2.01 0.71 -1.51 0.00 0.00 177.10 178.17 1ir9 h THR 47 N 0.94 0.92 0.00 1.60 1.35 -1.98 -1.95 112.91 113.79 1ir9 h THR 47 Ca -0.47 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 1ir9 h THR 47 Cb 1.25 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1ir9 h THR 47 CO 0.54 0.17 0.00 -0.90 -0.25 0.00 0.00 175.52 175.08 1ir9 n ASP 48 N -4.03 0.00 0.00 5.36 5.75 -1.26 -4.85 116.55 117.52 1ir9 n ASP 48 Ca -0.02 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 1ir9 n ASP 48 Cb 0.25 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1ir9 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ir9 n GLY 49 N 0.49 2.33 3.83 6.12 0.00 -0.73 -5.04 105.19 112.19 1ir9 n GLY 49 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1ir9 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ir9 s SER 50 N -2.24 3.42 0.02 1.61 1.04 -1.26 -4.79 113.70 111.51 1ir9 s SER 50 Ca 0.00 0.74 0.02 0.00 0.48 0.00 0.00 55.95 57.19 1ir9 s SER 50 Cb 0.00 -1.15 -0.01 0.00 0.10 0.00 0.00 66.02 64.96 1ir9 s SER 50 CO 0.00 -2.58 -0.06 -0.89 0.98 0.00 0.00 173.24 170.69 1ir9 s THR 51 N -3.46 0.47 -0.16 2.02 2.01 -1.26 -0.43 115.64 114.83 1ir9 s THR 51 Ca 0.66 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.98 1ir9 s THR 51 Cb -0.11 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 1ir9 s THR 51 CO 0.52 -0.10 0.15 -1.81 -0.69 0.00 0.00 174.62 172.69 1ir9 s ASP 52 N -0.76 6.30 -0.02 3.53 1.01 0.88 -1.25 116.67 126.37 1ir9 s ASP 52 Ca -0.03 0.35 0.07 0.00 0.71 0.00 0.00 52.55 53.65 1ir9 s ASP 52 Cb -0.05 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1ir9 s ASP 52 CO 0.00 0.27 -0.22 -0.31 0.21 0.00 0.00 175.17 175.12 1ir9 s TYR 53 N -0.23 1.96 0.01 4.23 1.51 -0.02 -1.56 117.35 123.25 1ir9 s TYR 53 Ca 0.12 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1ir9 s TYR 53 Cb -0.12 -1.27 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1ir9 s TYR 53 CO 0.01 -0.04 0.00 0.41 -1.11 0.00 0.00 175.55 174.82 1ir9 n GLY 54 N 2.57 -1.93 0.38 0.71 0.00 0.25 -1.53 105.19 105.63 1ir9 n GLY 54 Ca -0.15 -1.37 0.14 0.00 0.00 0.00 0.00 46.02 44.64 1ir9 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ir9 h ILE 55 N -0.03 0.76 -0.44 -0.61 6.09 -1.67 -1.22 117.51 120.37 1ir9 h ILE 55 Ca 0.00 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 1ir9 h ILE 55 Cb 0.03 0.07 0.00 0.00 0.47 0.00 0.00 36.82 37.40 1ir9 h ILE 55 CO 0.00 0.11 0.00 0.18 -3.07 0.00 0.00 178.15 175.37 1ir9 n LEU 56 N -4.59 3.19 -3.80 2.19 4.77 -1.26 -3.85 117.00 113.65 1ir9 n LEU 56 Ca 0.19 -1.95 -0.28 0.00 -0.03 0.00 0.00 56.01 53.95 1ir9 n LEU 56 Cb 0.57 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1ir9 n LEU 56 CO 0.28 0.79 -0.14 0.00 -1.33 0.00 0.00 177.39 176.99 1ir9 n GLN 57 N 0.86 -2.54 -2.51 3.23 1.13 -0.46 -4.93 117.38 112.17 1ir9 n GLN 57 Ca 0.15 0.45 -0.42 0.00 -1.94 0.00 0.00 57.00 55.25 1ir9 n GLN 57 Cb 0.48 -4.41 -0.03 0.00 0.11 0.00 0.00 30.24 26.39 1ir9 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ir9 s ILE 58 N -3.69 4.17 0.20 5.09 1.01 -0.59 -4.33 121.20 123.06 1ir9 s ILE 58 Ca 0.22 1.63 -0.30 0.00 0.00 0.00 0.00 60.65 62.20 1ir9 s ILE 58 Cb -0.08 -4.04 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 1ir9 s ILE 58 CO 0.87 0.16 1.01 0.21 0.00 0.00 0.00 174.94 177.19 1ir9 s ASN 59 N 0.76 7.45 0.48 3.58 3.84 -1.26 -0.84 114.94 128.95 1ir9 s ASN 59 Ca 0.55 2.01 0.30 0.00 0.21 0.00 0.00 52.86 55.92 1ir9 s ASN 59 Cb -0.28 -2.61 1.04 0.00 -0.55 0.00 0.00 41.25 38.86 1ir9 s ASN 59 CO 0.30 -0.04 1.85 0.77 -2.79 0.00 0.00 177.10 177.20 1ir9 h SER 60 N 4.64 0.00 0.16 -4.21 4.64 -1.42 -2.43 113.55 114.92 1ir9 h SER 60 Ca -0.45 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.81 1ir9 h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1ir9 h SER 60 CO 0.70 0.00 -0.23 -0.09 -0.87 0.00 0.00 176.83 176.33 1ir9 h ARG 61 N 0.00 0.14 0.00 4.77 2.43 -1.84 -3.39 114.38 116.49 1ir9 h ARG 61 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1ir9 h ARG 61 Cb 0.63 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1ir9 h ARG 61 CO 0.00 0.37 -0.94 0.91 -1.51 0.00 0.00 179.97 178.80 1ir9 n TRP 62 N -4.21 0.00 -0.04 2.20 7.02 -1.22 -0.53 117.44 120.67 1ir9 n TRP 62 Ca -0.01 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.48 1ir9 n TRP 62 Cb 0.32 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.08 1ir9 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ir9 n TRP 63 N -2.13 0.00 -3.86 -5.99 7.02 -0.92 -0.01 117.44 111.55 1ir9 n TRP 63 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1ir9 n TRP 63 Cb 0.47 -0.58 -0.08 0.00 -2.42 0.00 0.00 31.31 28.70 1ir9 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ir9 s ASN 65 N -2.62 6.09 0.00 0.00 2.47 -0.42 -4.42 114.94 116.03 1ir9 s ASN 65 Ca 0.02 0.15 0.05 0.00 0.42 0.00 0.00 52.86 53.50 1ir9 s ASN 65 Cb 0.03 -2.08 0.09 0.00 -1.45 0.00 0.00 41.25 37.84 1ir9 s ASN 65 CO -0.09 0.12 0.89 -0.90 -3.72 0.00 0.00 177.10 173.40 1ir9 n ASP 66 N 3.93 1.93 0.00 -4.21 5.68 -1.26 -0.14 116.55 122.47 1ir9 n ASP 66 Ca -0.16 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 1ir9 n ASP 66 Cb 0.52 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1ir9 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ir9 n GLY 67 N 0.11 0.22 0.90 6.12 0.00 -1.26 -4.79 105.19 106.50 1ir9 n GLY 67 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 1ir9 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ir9 n ARG 68 N -0.78 0.00 -3.86 1.61 1.85 -1.26 -4.98 116.66 109.24 1ir9 n ARG 68 Ca 0.00 -1.34 -0.30 0.00 -1.00 0.00 0.00 57.85 55.21 1ir9 n ARG 68 Cb 0.26 -0.26 -0.14 0.00 -1.05 0.00 0.00 32.46 31.27 1ir9 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ir9 s THR 69 N 0.00 1.96 0.15 8.89 2.01 -1.26 -4.90 115.64 122.49 1ir9 s THR 69 Ca 0.13 -2.72 -0.34 0.00 0.31 0.00 0.00 61.69 59.07 1ir9 s THR 69 Cb 0.15 -2.39 -0.14 0.00 0.01 0.00 0.00 72.50 70.13 1ir9 s THR 69 CO -0.06 -0.79 1.56 -2.65 -0.69 0.00 0.00 174.62 171.99 1ir9 n PRO 70 N 3.61 2.07 -0.32 4.92 -0.02 -1.26 -1.35 135.00 142.66 1ir9 n PRO 70 Ca 0.05 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1ir9 n PRO 70 Cb 0.35 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1ir9 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ir9 n GLY 71 N 3.36 1.33 3.56 -1.23 0.00 -1.26 -5.02 105.19 105.94 1ir9 n GLY 71 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1ir9 n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ir9 n SER 72 N 0.00 0.72 0.01 1.61 2.88 -0.45 -4.95 113.62 113.44 1ir9 n SER 72 Ca 0.00 1.04 0.11 0.00 -1.33 0.00 0.00 58.87 58.69 1ir9 n SER 72 Cb 0.00 -1.27 -0.11 0.00 -0.75 0.00 0.00 64.21 62.07 1ir9 n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ir9 n ARG 73 N 0.40 0.49 -4.03 -1.46 1.74 0.32 -4.97 116.66 109.15 1ir9 n ARG 73 Ca 0.10 -0.10 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1ir9 n ARG 73 Cb 0.37 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 1ir9 n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ir9 n ASN 74 N -2.13 -0.72 0.30 0.55 5.15 -1.05 -4.88 115.26 112.48 1ir9 n ASN 74 Ca -0.01 -1.10 0.17 0.00 -0.60 0.00 0.00 54.58 53.04 1ir9 n ASN 74 Cb 0.51 -2.61 0.96 0.00 -0.53 0.00 0.00 39.78 38.10 1ir9 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ir9 h LEU 75 N -1.89 0.00 -1.25 1.20 3.38 -0.44 -1.13 115.31 115.18 1ir9 h LEU 75 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1ir9 h LEU 75 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1ir9 h LEU 75 CO 0.62 0.03 -0.15 0.00 0.09 0.00 0.00 178.44 179.04 1ir9 n ASN 77 N 0.43 -2.03 -3.78 0.00 5.03 -0.43 -5.00 115.26 109.49 1ir9 n ASN 77 Ca 0.14 -0.90 -0.11 0.00 0.87 0.00 0.00 54.58 54.57 1ir9 n ASN 77 Cb 0.47 -3.72 -0.08 0.00 -1.02 0.00 0.00 39.78 35.43 1ir9 n ASN 77 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1ir9 s ILE 78 N -3.69 0.09 0.26 2.41 -4.36 -1.26 -5.07 121.20 109.57 1ir9 s ILE 78 Ca 0.12 -0.72 -0.30 0.00 -0.26 0.00 0.00 60.65 59.49 1ir9 s ILE 78 Cb -0.04 -0.91 -0.09 0.00 1.25 0.00 0.00 42.46 42.67 1ir9 s ILE 78 CO 0.84 -0.40 1.02 -2.16 0.24 0.00 0.00 174.94 174.48 1ir9 s PRO 79 N -2.49 4.75 0.57 0.37 0.04 -1.26 -1.31 135.00 135.67 1ir9 s PRO 79 Ca -0.05 1.64 0.28 0.00 0.04 0.00 0.00 61.00 62.91 1ir9 s PRO 79 Cb -0.01 -3.24 1.49 0.00 0.04 0.00 0.00 34.50 32.78 1ir9 s PRO 79 CO -0.03 0.37 1.95 0.00 0.04 0.00 0.00 177.00 179.33 1ir9 h SER 81 N 0.00 0.00 0.26 0.00 4.64 -1.91 -0.54 113.55 115.99 1ir9 h SER 81 Ca 0.23 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 1ir9 h SER 81 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1ir9 h SER 81 CO -0.00 0.08 -0.06 0.00 -0.87 0.00 0.00 176.83 175.98 1ir9 h ALA 82 N 1.92 1.29 0.00 5.18 0.00 -1.59 -1.84 119.26 124.22 1ir9 h ALA 82 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ir9 h ALA 82 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ir9 h ALA 82 CO 0.01 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1ir9 n LEU 83 N -3.58 0.00 -0.88 0.00 4.77 -0.21 -3.36 117.00 113.73 1ir9 n LEU 83 Ca -0.02 0.27 0.09 0.00 -0.03 0.00 0.00 56.01 56.31 1ir9 n LEU 83 Cb 0.18 -0.27 0.18 0.00 -2.33 0.00 0.00 43.42 41.18 1ir9 n LEU 83 CO 0.28 -0.04 0.64 0.18 -1.33 0.00 0.00 177.39 177.12 1ir9 n LEU 84 N -1.27 3.09 -4.77 2.23 4.77 -0.69 -4.04 117.00 116.32 1ir9 n LEU 84 Ca 0.13 -1.66 -0.33 0.00 -0.03 0.00 0.00 56.01 54.12 1ir9 n LEU 84 Cb 0.20 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1ir9 n LEU 84 CO 0.20 0.71 0.73 -0.55 -1.33 0.00 0.00 177.39 177.15 1ir9 s SER 85 N -1.14 4.99 0.33 -1.43 0.15 -1.21 -4.18 113.70 111.20 1ir9 s SER 85 Ca 0.30 1.97 0.11 0.00 0.70 0.00 0.00 55.95 59.04 1ir9 s SER 85 Cb 0.17 -2.55 0.57 0.00 -1.71 0.00 0.00 66.02 62.50 1ir9 s SER 85 CO 0.23 -1.71 1.74 0.77 1.20 0.00 0.00 173.24 175.47 1ir9 h SER 86 N -0.17 0.02 -3.52 5.45 4.64 -1.94 -3.39 113.55 114.64 1ir9 h SER 86 Ca -0.46 -0.01 -0.57 0.00 -0.47 0.00 0.00 61.79 60.28 1ir9 h SER 86 Cb 1.24 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 63.26 1ir9 h SER 86 CO 0.54 0.48 0.89 -0.62 -0.87 0.00 0.00 176.83 177.25 1ir9 s ASP 87 N -6.90 6.77 0.00 4.97 -1.08 -1.26 -4.93 116.67 114.24 1ir9 s ASP 87 Ca -0.02 0.75 0.04 0.00 -0.52 0.00 0.00 52.55 52.79 1ir9 s ASP 87 Cb 0.14 -2.55 0.19 0.00 -1.46 0.00 0.00 42.92 39.24 1ir9 s ASP 87 CO 0.74 -1.09 1.13 2.30 0.52 0.00 0.00 175.17 178.77 1ir9 n ILE 88 N 6.40 0.02 -0.17 4.11 -5.35 -1.26 -4.36 119.36 118.75 1ir9 n ILE 88 Ca 0.12 -0.02 -0.02 0.00 -0.27 0.00 0.00 62.75 62.56 1ir9 n ILE 88 Cb 0.48 -0.03 0.08 0.00 -1.74 0.00 0.00 39.64 38.43 1ir9 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ir9 h THR 89 N 0.11 0.73 -0.40 7.28 2.02 -1.94 -0.36 112.91 120.35 1ir9 h THR 89 Ca 0.00 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 1ir9 h THR 89 Cb 0.03 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1ir9 h THR 89 CO 0.00 0.05 0.03 0.00 0.37 0.00 0.00 175.52 175.98 1ir9 h ALA 90 N 1.40 0.53 -0.95 6.16 0.00 -1.87 -0.30 119.26 124.24 1ir9 h ALA 90 Ca 0.27 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ir9 h ALA 90 Cb 0.35 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1ir9 h ALA 90 CO -0.33 0.28 0.62 0.77 0.00 0.00 0.00 179.25 180.60 1ir9 h SER 91 N 0.52 1.07 -0.25 0.00 0.02 -1.73 -1.20 113.55 111.98 1ir9 h SER 91 Ca 0.12 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 1ir9 h SER 91 Cb 0.42 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1ir9 h SER 91 CO 0.01 0.76 -0.21 0.58 -1.14 0.00 0.00 176.83 176.84 1ir9 h VAL 92 N 1.25 1.31 -0.45 2.27 2.07 -0.78 -1.49 116.25 120.43 1ir9 h VAL 92 Ca 0.36 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 1ir9 h VAL 92 Cb -0.10 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1ir9 h VAL 92 CO -0.09 0.42 0.04 0.78 0.02 0.00 0.00 177.57 178.74 1ir9 h ASN 93 N 0.30 0.67 -0.14 0.57 -0.26 -0.79 -1.48 115.58 114.45 1ir9 h ASN 93 Ca 0.05 -0.14 -0.21 0.00 -0.56 0.00 0.00 56.30 55.44 1ir9 h ASN 93 Cb 0.75 -0.18 0.01 0.00 -1.06 0.00 0.00 38.32 37.84 1ir9 h ASN 93 CO 0.05 0.72 -0.72 0.00 -1.06 0.00 0.00 177.43 176.42 1ir9 h ALA 95 N 0.63 1.60 -0.30 0.00 0.00 -0.80 -1.44 119.26 118.95 1ir9 h ALA 95 Ca -0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1ir9 h ALA 95 Cb 1.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1ir9 h ALA 95 CO 0.15 0.30 -0.07 0.87 0.00 0.00 0.00 179.25 180.50 1ir9 h LYS 96 N 0.37 0.48 -0.09 0.00 1.57 -1.23 0.19 116.57 117.86 1ir9 h LYS 96 Ca 0.09 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1ir9 h LYS 96 Cb 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1ir9 h LYS 96 CO -0.00 0.56 -0.39 0.87 -0.57 0.00 0.00 179.45 179.92 1ir9 h LYS 97 N 0.45 0.43 0.21 3.15 1.57 -1.27 -2.95 116.57 118.17 1ir9 h LYS 97 Ca 0.09 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1ir9 h LYS 97 Cb 0.41 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1ir9 h LYS 97 CO 0.02 0.97 -0.13 0.52 -0.57 0.00 0.00 179.45 180.25 1ir9 h MET 98 N -0.01 -0.33 0.00 3.15 2.86 -1.10 -2.41 114.93 117.10 1ir9 h MET 98 Ca -0.02 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ir9 h MET 98 Cb 1.03 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 1ir9 h MET 98 CO 0.08 -0.22 -0.00 -0.24 1.06 0.00 0.00 176.91 177.59 1ir9 h VAL 99 N -0.34 0.02 -0.02 -2.22 3.04 -1.04 0.65 116.25 116.34 1ir9 h VAL 99 Ca -0.02 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1ir9 h VAL 99 Cb 0.28 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1ir9 h VAL 99 CO 0.02 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.38 1ir9 n SER 100 N -3.11 1.77 0.00 3.17 7.64 -0.94 -3.43 113.62 118.73 1ir9 n SER 100 Ca -0.02 -1.59 0.06 0.00 1.01 0.00 0.00 58.87 58.32 1ir9 n SER 100 Cb 0.11 -0.00 0.33 0.00 -1.01 0.00 0.00 64.21 63.64 1ir9 n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ir9 n ASP 101 N 0.39 0.00 0.00 6.43 2.03 0.22 -4.82 116.55 120.80 1ir9 n ASP 101 Ca 0.18 -0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1ir9 n ASP 101 Cb 0.40 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1ir9 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ir9 n GLY 102 N -0.29 2.41 0.90 0.27 0.00 -1.26 -4.89 105.19 102.33 1ir9 n GLY 102 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1ir9 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ir9 n ASN 103 N 0.00 2.79 0.00 1.61 4.13 -1.26 -5.07 115.26 117.46 1ir9 n ASN 103 Ca 0.00 -1.92 0.00 0.00 1.68 0.00 0.00 54.58 54.34 1ir9 n ASN 103 Cb 0.00 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.23 1ir9 n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ir9 n GLY 104 N 1.33 1.30 0.00 7.41 0.00 -1.22 -2.60 105.19 111.41 1ir9 n GLY 104 Ca 0.15 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.70 1ir9 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ir9 n MET 105 N 2.46 0.53 0.17 1.61 2.81 -1.26 -3.10 117.12 120.34 1ir9 n MET 105 Ca 0.00 0.04 0.13 0.00 -1.81 0.00 0.00 57.70 56.05 1ir9 n MET 105 Cb 0.00 -1.50 0.61 0.00 -0.71 0.00 0.00 33.22 31.62 1ir9 n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1ir9 h ASN 106 N 0.00 0.00 0.02 7.83 2.35 -1.92 -1.02 115.58 122.84 1ir9 h ASN 106 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ir9 h ASN 106 Cb 0.12 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1ir9 h ASN 106 CO 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 177.43 175.77 1ir9 h ALA 107 N 2.11 1.53 -2.60 -0.83 0.00 -1.71 -3.37 119.26 114.39 1ir9 h ALA 107 Ca 0.00 -0.01 -0.71 0.00 0.00 0.00 0.00 54.91 54.19 1ir9 h ALA 107 Cb 0.19 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.76 1ir9 h ALA 107 CO 0.00 0.01 -0.46 -1.58 0.00 0.00 0.00 179.25 177.22 1ir9 s TRP 108 N -4.63 3.24 0.27 0.00 0.51 -0.39 -4.98 118.94 112.96 1ir9 s TRP 108 Ca -0.05 -0.68 -0.02 0.00 -2.12 0.00 0.00 56.10 53.23 1ir9 s TRP 108 Cb 0.15 -2.54 0.44 0.00 -0.81 0.00 0.00 33.47 30.71 1ir9 s TRP 108 CO 0.55 -0.60 1.87 -0.24 -0.51 0.00 0.00 176.95 178.03 1ir9 h VAL 109 N 5.70 1.04 -0.01 4.03 3.04 -1.85 -1.58 116.25 126.63 1ir9 h VAL 109 Ca -0.27 -0.38 -0.11 0.00 -1.01 0.00 0.00 66.70 64.93 1ir9 h VAL 109 Cb 1.12 -0.18 -0.02 0.00 -2.01 0.00 0.00 31.29 30.20 1ir9 h VAL 109 CO 0.71 0.20 -0.51 0.00 -1.01 0.00 0.00 177.57 176.96 1ir9 h ALA 110 N 1.47 1.15 -0.15 3.17 0.00 -1.93 -1.75 119.26 121.22 1ir9 h ALA 110 Ca 0.45 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ir9 h ALA 110 Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ir9 h ALA 110 CO -0.20 0.64 -0.02 2.35 0.00 0.00 0.00 179.25 182.02 1ir9 h TRP 111 N 0.02 0.30 -0.69 0.00 7.01 -1.62 0.11 115.95 121.08 1ir9 h TRP 111 Ca -0.00 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 1ir9 h TRP 111 Cb 0.90 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.85 1ir9 h TRP 111 CO 0.00 0.52 0.38 -0.09 -2.79 0.00 0.00 178.44 176.46 1ir9 h ARG 112 N -0.01 0.96 0.00 2.65 2.43 -1.26 0.55 114.38 119.70 1ir9 h ARG 112 Ca 0.04 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 1ir9 h ARG 112 Cb 0.41 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1ir9 h ARG 112 CO 0.01 0.72 -0.79 -0.91 -1.51 0.00 0.00 179.97 177.49 1ir9 h ASN 113 N 0.95 0.00 0.00 -3.80 2.35 -1.28 -3.36 115.58 110.43 1ir9 h ASN 113 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1ir9 h ASN 113 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1ir9 h ASN 113 CO -0.04 0.34 -0.55 0.54 -1.65 0.00 0.00 177.43 176.08 1ir9 n ARG 114 N -3.00 2.50 -0.07 0.81 1.74 0.38 -4.88 116.66 114.15 1ir9 n ARG 114 Ca -0.02 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.96 1ir9 n ARG 114 Cb 0.70 -0.74 -0.06 0.00 -1.02 0.00 0.00 32.46 31.34 1ir9 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ir9 n LYS 116 N -3.07 1.34 -1.11 0.00 4.81 0.17 -1.52 118.16 118.77 1ir9 n LYS 116 Ca -0.25 0.48 -0.04 0.00 -0.87 0.00 0.00 58.31 57.64 1ir9 n LYS 116 Cb 0.74 -2.16 -0.02 0.00 0.02 0.00 0.00 35.03 33.61 1ir9 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ir9 n GLY 117 N 2.94 0.60 3.84 3.14 0.00 -1.26 -4.96 105.19 109.49 1ir9 n GLY 117 Ca 0.19 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 1ir9 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ir9 s THR 118 N -1.85 3.00 -1.07 2.61 -4.23 -0.58 -4.99 115.64 108.53 1ir9 s THR 118 Ca 0.00 -1.42 -0.23 0.00 -1.18 0.00 0.00 61.69 58.86 1ir9 s THR 118 Cb 0.00 -3.06 -0.03 0.00 1.34 0.00 0.00 72.50 70.75 1ir9 s THR 118 CO 0.00 -0.09 1.83 -0.62 -0.54 0.00 0.00 174.62 175.20 1ir9 s ASP 119 N -4.03 5.58 0.41 3.99 3.68 -1.26 -4.73 116.67 120.30 1ir9 s ASP 119 Ca 0.44 -1.37 0.29 0.00 2.13 0.00 0.00 52.55 54.03 1ir9 s ASP 119 Cb -0.04 -2.57 1.25 0.00 -1.45 0.00 0.00 42.92 40.11 1ir9 s ASP 119 CO 0.26 -2.42 1.86 -0.37 0.13 0.00 0.00 175.17 174.64 1ir9 h VAL 120 N 6.60 0.00 -0.19 1.11 -1.51 -1.90 -2.95 116.25 117.40 1ir9 h VAL 120 Ca 0.20 -0.32 0.04 0.00 -1.23 0.00 0.00 66.70 65.40 1ir9 h VAL 120 Cb 0.97 1.16 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 1ir9 h VAL 120 CO 1.29 0.00 0.14 1.56 -1.23 0.00 0.00 177.57 179.32 1ir9 h GLN 121 N 0.00 0.07 -0.13 5.19 7.50 -1.89 -1.35 115.11 124.51 1ir9 h GLN 121 Ca 0.00 -0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.18 1ir9 h GLN 121 Cb 0.38 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.89 1ir9 h GLN 121 CO 0.00 0.05 0.12 0.00 -1.50 0.00 0.00 178.83 177.50 1ir9 h ALA 122 N 1.90 1.86 0.00 3.87 0.00 -1.92 -2.21 119.26 122.76 1ir9 h ALA 122 Ca 0.09 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ir9 h ALA 122 Cb 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ir9 h ALA 122 CO -0.01 -0.19 -0.17 -1.49 0.00 0.00 0.00 179.25 177.39 1ir9 h TRP 123 N 0.00 0.00 -0.04 0.00 4.06 -1.47 -2.67 115.95 115.83 1ir9 h TRP 123 Ca 0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.01 1ir9 h TRP 123 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 1ir9 h TRP 123 CO 0.00 0.17 0.00 0.44 -3.56 0.00 0.00 178.44 175.49 1ir9 n ILE 124 N -3.59 0.09 -1.65 1.49 -5.35 -0.87 -4.82 119.36 104.66 1ir9 n ILE 124 Ca -0.01 -0.54 -0.48 0.00 -0.27 0.00 0.00 62.75 61.44 1ir9 n ILE 124 Cb 0.31 1.16 -0.05 0.00 -1.74 0.00 0.00 39.64 39.32 1ir9 n ILE 124 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1ir9 n ARG 125 N 0.59 1.83 -0.69 6.28 3.00 -0.99 -1.66 116.66 125.03 1ir9 n ARG 125 Ca 0.07 0.66 0.00 0.00 -0.00 0.00 0.00 57.85 58.58 1ir9 n ARG 125 Cb 0.28 -2.39 0.00 0.00 0.00 0.00 0.00 32.46 30.35 1ir9 n ARG 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ir9 n GLY 126 N 3.21 1.35 3.84 5.14 0.00 -1.26 -5.03 105.19 112.43 1ir9 n GLY 126 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1ir9 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ir9 s ARG 128 N -2.40 3.21 0.00 0.00 3.52 -1.26 -5.13 118.95 116.88 1ir9 s ARG 128 Ca 0.46 -1.24 0.24 0.00 -0.13 0.00 0.00 55.73 55.06 1ir9 s ARG 128 Cb -0.14 -4.39 0.28 0.00 -1.56 0.00 0.00 34.95 29.14 1ir9 s ARG 128 CO 0.19 -1.70 1.31 1.28 -0.81 0.00 0.00 175.30 175.57