#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ir7 s VAL 2 N 0.00 5.24 0.66 3.15 1.01 -1.26 -1.57 120.40 127.63 1ir7 s VAL 2 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 1ir7 s VAL 2 Cb 0.00 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1ir7 s VAL 2 CO 0.00 -0.33 1.06 -0.36 0.00 0.00 0.00 175.10 175.47 1ir7 s PHE 3 N 1.67 2.99 0.26 5.22 0.40 0.28 -4.99 117.98 123.82 1ir7 s PHE 3 Ca 0.05 1.48 -0.02 0.00 -0.60 0.00 0.00 56.93 57.83 1ir7 s PHE 3 Cb -0.20 -2.96 -0.04 0.00 0.51 0.00 0.00 43.02 40.33 1ir7 s PHE 3 CO 0.10 -1.25 0.48 0.20 0.70 0.00 0.00 175.22 175.45 1ir7 s GLY 4 N -3.30 1.74 0.13 4.36 0.00 -1.26 -4.85 107.32 104.15 1ir7 s GLY 4 Ca 0.61 -0.74 -0.28 0.00 0.00 0.00 0.00 44.72 44.31 1ir7 s GLY 4 CO 0.47 -0.66 1.59 -0.09 0.00 0.00 0.00 173.10 174.40 1ir7 h ARG 5 N 1.65 -0.45 -0.03 2.90 2.43 -1.97 -0.19 114.38 118.72 1ir7 h ARG 5 Ca -0.48 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.60 1ir7 h ARG 5 Cb 1.20 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1ir7 h ARG 5 CO 0.66 -0.30 -0.53 0.00 -1.51 0.00 0.00 179.97 178.29 1ir7 h GLU 7 N 0.07 0.48 -0.25 0.00 4.81 -1.88 -2.04 114.58 115.77 1ir7 h GLU 7 Ca -0.00 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1ir7 h GLU 7 Cb 0.97 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1ir7 h GLU 7 CO 0.07 0.53 0.08 1.25 -0.73 0.00 0.00 179.01 180.22 1ir7 h LEU 8 N 0.33 0.37 -0.65 1.64 5.85 -0.88 -2.16 115.31 119.81 1ir7 h LEU 8 Ca 0.10 -0.20 0.12 0.00 0.84 0.00 0.00 57.88 58.73 1ir7 h LEU 8 Cb 0.25 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 1ir7 h LEU 8 CO -0.00 0.47 0.20 0.00 -0.34 0.00 0.00 178.44 178.77 1ir7 h ALA 9 N 0.91 0.82 -0.53 1.25 0.00 -1.19 0.14 119.26 120.66 1ir7 h ALA 9 Ca 0.08 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1ir7 h ALA 9 Cb 0.23 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1ir7 h ALA 9 CO -0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 179.25 178.90 1ir7 h ALA 10 N 1.49 0.83 -0.13 0.00 0.00 -1.23 -0.40 119.26 119.81 1ir7 h ALA 10 Ca 0.34 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1ir7 h ALA 10 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ir7 h ALA 10 CO -0.38 0.66 -0.55 0.00 0.00 0.00 0.00 179.25 178.98 1ir7 h ALA 11 N 1.00 0.82 -0.35 0.00 0.00 -0.71 -1.72 119.26 118.29 1ir7 h ALA 11 Ca 0.14 -0.51 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 1ir7 h ALA 11 Cb 0.64 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ir7 h ALA 11 CO 0.04 0.69 -0.42 0.52 0.00 0.00 0.00 179.25 180.08 1ir7 h MET 12 N 0.30 0.89 -0.02 0.00 2.86 -0.80 -2.28 114.93 115.88 1ir7 h MET 12 Ca 0.00 -0.48 -0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1ir7 h MET 12 Cb 1.06 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.74 1ir7 h MET 12 CO 0.09 1.13 0.01 -0.22 1.06 0.00 0.00 176.91 178.98 1ir7 h LYS 13 N 0.71 0.03 -0.87 1.72 3.64 -0.98 -1.60 116.57 119.23 1ir7 h LYS 13 Ca 0.05 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.57 1ir7 h LYS 13 Cb 1.01 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.76 1ir7 h LYS 13 CO 0.10 0.13 0.57 -0.09 -2.27 0.00 0.00 179.45 177.89 1ir7 h ARG 14 N -0.08 0.62 -0.20 1.90 2.43 -1.30 0.13 114.38 117.88 1ir7 h ARG 14 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ir7 h ARG 14 Cb 0.11 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1ir7 h ARG 14 CO -0.00 0.41 0.00 0.72 -1.51 0.00 0.00 179.97 179.59 1ir7 n HIS 15 N -4.55 0.20 -1.32 2.20 8.25 -0.67 -4.91 115.22 114.43 1ir7 n HIS 15 Ca 0.17 -0.10 -0.02 0.00 -0.26 0.00 0.00 57.72 57.51 1ir7 n HIS 15 Cb 0.49 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.58 1ir7 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ir7 n GLY 16 N 0.68 0.48 0.12 -1.41 0.00 0.45 -4.97 105.19 100.54 1ir7 n GLY 16 Ca 0.05 -0.94 0.06 0.00 0.00 0.00 0.00 46.02 45.19 1ir7 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ir7 h LEU 17 N 0.00 0.00 -9.19 0.99 3.38 -1.52 -3.40 115.31 105.57 1ir7 h LEU 17 Ca -0.05 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.37 1ir7 h LEU 17 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ir7 h LEU 17 CO 0.06 0.28 1.27 -0.62 0.09 0.00 0.00 178.44 179.52 1ir7 s ASP 18 N -5.79 6.20 -1.01 -0.43 2.15 -1.26 -1.65 116.67 114.88 1ir7 s ASP 18 Ca 0.00 2.24 0.00 0.00 0.43 0.00 0.00 52.55 55.22 1ir7 s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1ir7 s ASP 18 CO 0.78 -1.31 0.00 0.59 -0.17 0.00 0.00 175.17 175.05 1ir7 n ASN 19 N 8.75 -4.50 -4.68 -0.34 4.13 0.83 -4.88 115.26 114.57 1ir7 n ASN 19 Ca 0.22 0.24 -0.42 0.00 1.68 0.00 0.00 54.58 56.29 1ir7 n ASN 19 Cb 0.43 -2.84 -0.03 0.00 -1.54 0.00 0.00 39.78 35.81 1ir7 n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1ir7 s TYR 20 N -2.24 2.49 -1.48 3.10 5.04 -0.66 -1.63 117.35 121.97 1ir7 s TYR 20 Ca 0.00 0.47 -0.02 0.00 -2.44 0.00 0.00 57.07 55.08 1ir7 s TYR 20 Cb 0.00 -3.85 0.01 0.00 0.35 0.00 0.00 41.96 38.47 1ir7 s TYR 20 CO 0.00 -3.36 0.18 0.54 -1.34 0.00 0.00 175.55 171.57 1ir7 n ARG 21 N 5.82 -2.70 -0.75 4.97 5.12 -1.26 -1.57 116.66 126.28 1ir7 n ARG 21 Ca 0.15 0.82 0.00 0.00 -1.93 0.00 0.00 57.85 56.89 1ir7 n ARG 21 Cb 0.42 -5.51 0.00 0.00 -1.16 0.00 0.00 32.46 26.21 1ir7 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ir7 n GLY 22 N -1.08 0.82 3.55 -0.13 0.00 -0.65 -5.03 105.19 102.68 1ir7 n GLY 22 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1ir7 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ir7 s TYR 23 N -3.18 3.22 0.86 1.61 2.02 -0.61 -4.89 117.35 116.38 1ir7 s TYR 23 Ca 0.00 -0.03 -0.10 0.00 -0.37 0.00 0.00 57.07 56.56 1ir7 s TYR 23 Cb 0.00 -2.51 0.11 0.00 -0.40 0.00 0.00 41.96 39.16 1ir7 s TYR 23 CO 0.00 -0.32 1.13 -1.54 -1.57 0.00 0.00 175.55 173.25 1ir7 s SER 24 N 1.73 3.53 0.35 2.29 1.04 -1.26 -0.12 113.70 121.25 1ir7 s SER 24 Ca 0.08 2.07 0.07 0.00 0.48 0.00 0.00 55.95 58.66 1ir7 s SER 24 Cb -0.17 -2.55 0.77 0.00 0.10 0.00 0.00 66.02 64.17 1ir7 s SER 24 CO 0.11 -2.70 1.89 0.25 0.98 0.00 0.00 173.24 173.77 1ir7 h LEU 25 N -1.55 0.69 -1.61 2.42 5.85 -1.90 -1.09 115.31 118.12 1ir7 h LEU 25 Ca -0.43 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.42 1ir7 h LEU 25 Cb 1.26 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1ir7 h LEU 25 CO 0.45 0.38 0.43 1.23 -0.34 0.00 0.00 178.44 180.59 1ir7 h GLY 26 N 0.75 0.62 0.93 3.75 0.00 -1.91 -1.73 103.07 105.47 1ir7 h GLY 26 Ca 0.42 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 1ir7 h GLY 26 CO -0.19 0.10 0.13 3.43 0.00 0.00 0.00 176.54 180.01 1ir7 h ASN 27 N 0.43 0.54 -0.29 0.19 2.35 -1.43 -1.09 115.58 116.28 1ir7 h ASN 27 Ca 0.30 -0.20 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 1ir7 h ASN 27 Cb 0.59 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1ir7 h ASN 27 CO -0.09 0.59 -0.32 -0.50 -1.65 0.00 0.00 177.43 175.47 1ir7 h TRP 28 N 0.46 0.95 -0.33 1.19 4.06 -1.41 -0.22 115.95 120.65 1ir7 h TRP 28 Ca 0.12 -0.25 -0.16 0.00 2.06 0.00 0.00 58.89 60.66 1ir7 h TRP 28 Cb 0.24 -0.21 -0.00 0.00 -1.00 0.00 0.00 29.16 28.18 1ir7 h TRP 28 CO 0.01 1.02 -0.41 0.28 -3.56 0.00 0.00 178.44 175.78 1ir7 h VAL 29 N 0.68 1.28 -0.37 1.49 2.07 -1.37 -2.21 116.25 117.82 1ir7 h VAL 29 Ca 0.07 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 65.99 1ir7 h VAL 29 Cb 0.87 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1ir7 h VAL 29 CO 0.08 0.52 0.15 0.00 0.02 0.00 0.00 177.57 178.34 1ir7 h ALA 31 N 0.99 0.48 -0.66 0.00 0.00 -1.02 -2.07 119.26 116.98 1ir7 h ALA 31 Ca 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ir7 h ALA 31 Cb 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1ir7 h ALA 31 CO -0.01 -0.13 0.34 0.00 0.00 0.00 0.00 179.25 179.46 1ir7 h ALA 32 N 1.18 0.84 0.03 0.00 0.00 -1.15 0.18 119.26 120.35 1ir7 h ALA 32 Ca 0.16 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ir7 h ALA 32 Cb 0.02 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1ir7 h ALA 32 CO -0.08 0.38 -0.39 -0.22 0.00 0.00 0.00 179.25 178.94 1ir7 h LYS 33 N 0.90 -0.55 0.00 0.00 1.63 -0.77 -0.36 116.57 117.43 1ir7 h LYS 33 Ca 0.23 0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 60.01 1ir7 h LYS 33 Cb 0.07 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1ir7 h LYS 33 CO -0.03 -0.36 -0.29 0.74 -3.45 0.00 0.00 179.45 176.05 1ir7 h PHE 34 N -0.57 0.00 0.09 1.91 0.04 -1.21 0.13 116.94 117.34 1ir7 h PHE 34 Ca 0.04 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.63 1ir7 h PHE 34 Cb 0.63 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.80 1ir7 h PHE 34 CO -0.38 0.28 -0.80 0.93 -0.60 0.00 0.00 178.31 177.74 1ir7 h GLU 35 N 0.00 0.37 0.00 1.51 4.39 -0.47 -3.42 114.58 116.96 1ir7 h GLU 35 Ca -0.00 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1ir7 h GLU 35 Cb 1.22 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1ir7 h GLU 35 CO 0.04 1.21 0.00 -1.13 -1.16 0.00 0.00 179.01 177.97 1ir7 n SER 36 N -4.12 0.11 -1.58 1.42 3.41 -0.20 -4.84 113.62 107.82 1ir7 n SER 36 Ca -0.13 -0.42 -0.12 0.00 -0.26 0.00 0.00 58.87 57.94 1ir7 n SER 36 Cb 0.79 0.37 0.01 0.00 -0.26 0.00 0.00 64.21 65.12 1ir7 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ir7 n ASN 37 N -0.37 -3.96 -0.76 4.04 5.15 0.46 -2.77 115.26 117.05 1ir7 n ASN 37 Ca 0.00 -0.09 -0.10 0.00 -0.60 0.00 0.00 54.58 53.79 1ir7 n ASN 37 Cb 0.03 -3.01 -0.04 0.00 -0.53 0.00 0.00 39.78 36.23 1ir7 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ir7 n PHE 38 N -3.98 0.00 -3.66 1.20 3.72 -1.20 -4.86 117.46 108.68 1ir7 n PHE 38 Ca -0.10 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.92 1ir7 n PHE 38 Cb 0.59 -1.95 -0.12 0.00 -0.94 0.00 0.00 39.48 37.06 1ir7 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ir7 s ASN 39 N -2.84 5.53 0.50 4.37 2.47 -1.11 -0.55 114.94 123.31 1ir7 s ASN 39 Ca 0.00 -0.40 0.26 0.00 0.42 0.00 0.00 52.86 53.14 1ir7 s ASN 39 Cb 0.00 -2.00 1.34 0.00 -1.45 0.00 0.00 41.25 39.14 1ir7 s ASN 39 CO 0.00 -0.15 2.02 0.71 -3.72 0.00 0.00 177.10 175.97 1ir7 h THR 40 N 5.60 0.58 -0.17 -5.21 1.35 -1.61 -2.95 112.91 110.50 1ir7 h THR 40 Ca -0.34 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1ir7 h THR 40 Cb 1.16 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1ir7 h THR 40 CO 0.60 0.14 0.00 0.00 -0.25 0.00 0.00 175.52 176.01 1ir7 n GLN 41 N -3.61 1.72 -2.05 4.72 6.02 -1.26 -3.94 117.38 118.98 1ir7 n GLN 41 Ca -0.01 -1.08 -0.42 0.00 -0.01 0.00 0.00 57.00 55.48 1ir7 n GLN 41 Cb 0.27 -1.39 -0.03 0.00 1.02 0.00 0.00 30.24 30.12 1ir7 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ir7 s ALA 42 N -1.78 3.65 0.03 -1.58 0.00 -1.12 -4.83 121.76 116.13 1ir7 s ALA 42 Ca 0.32 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.56 1ir7 s ALA 42 Cb 0.17 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1ir7 s ALA 42 CO 0.26 -0.70 -0.06 0.95 0.00 0.00 0.00 175.76 176.21 1ir7 s THR 43 N 0.53 0.34 -0.19 0.00 -4.23 -1.26 -1.04 115.64 109.79 1ir7 s THR 43 Ca 0.63 -1.01 -0.10 0.00 -1.18 0.00 0.00 61.69 60.04 1ir7 s THR 43 Cb -0.41 -0.45 0.07 0.00 1.34 0.00 0.00 72.50 73.05 1ir7 s THR 43 CO 0.37 -0.44 0.45 0.20 -0.54 0.00 0.00 174.62 174.65 1ir7 s ASN 44 N -1.53 -0.53 0.29 3.99 0.01 -0.98 -4.98 114.94 111.20 1ir7 s ASN 44 Ca -0.13 0.99 -0.10 0.00 -0.71 0.00 0.00 52.86 52.91 1ir7 s ASN 44 Cb -0.10 0.96 -0.07 0.00 0.41 0.00 0.00 41.25 42.45 1ir7 s ASN 44 CO -0.00 -0.21 0.63 -0.60 -1.51 0.00 0.00 177.10 175.41 1ir7 s ARG 45 N 1.65 3.83 0.33 -0.60 3.52 -1.26 -0.39 118.95 126.02 1ir7 s ARG 45 Ca -0.08 0.37 0.08 0.00 -0.13 0.00 0.00 55.73 55.96 1ir7 s ARG 45 Cb -0.09 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.71 1ir7 s ARG 45 CO -0.14 0.21 0.15 -0.80 -0.81 0.00 0.00 175.30 173.91 1ir7 s ASN 46 N -2.57 4.76 0.41 -2.12 0.01 0.24 -4.95 114.94 110.73 1ir7 s ASN 46 Ca 0.49 -0.72 0.08 0.00 -0.71 0.00 0.00 52.86 52.00 1ir7 s ASN 46 Cb -0.11 -0.78 0.88 0.00 0.41 0.00 0.00 41.25 41.66 1ir7 s ASN 46 CO 0.23 -0.28 2.05 0.71 -1.51 0.00 0.00 177.10 178.29 1ir7 h THR 47 N 1.53 1.07 0.00 1.60 1.35 -1.99 -0.88 112.91 115.60 1ir7 h THR 47 Ca -0.44 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1ir7 h THR 47 Cb 1.25 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1ir7 h THR 47 CO 0.62 0.10 0.00 -0.90 -0.25 0.00 0.00 175.52 175.09 1ir7 n ASP 48 N -4.47 0.00 0.00 5.36 5.68 -1.26 -4.86 116.55 117.00 1ir7 n ASP 48 Ca 0.04 -0.81 0.00 0.00 -0.50 0.00 0.00 54.79 53.53 1ir7 n ASP 48 Cb 0.11 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1ir7 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ir7 n GLY 49 N 0.32 1.51 3.92 6.12 0.00 -0.33 -5.01 105.19 111.71 1ir7 n GLY 49 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1ir7 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ir7 s SER 50 N -2.49 3.76 0.01 1.61 1.04 -1.26 -4.76 113.70 111.62 1ir7 s SER 50 Ca 0.00 0.49 -0.01 0.00 0.48 0.00 0.00 55.95 56.91 1ir7 s SER 50 Cb 0.00 -0.74 -0.01 0.00 0.10 0.00 0.00 66.02 65.37 1ir7 s SER 50 CO 0.00 -2.35 0.01 -0.89 0.98 0.00 0.00 173.24 170.99 1ir7 s THR 51 N -3.74 0.07 -0.14 2.02 2.01 -1.26 -0.59 115.64 114.01 1ir7 s THR 51 Ca 0.68 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 62.02 1ir7 s THR 51 Cb -0.07 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1ir7 s THR 51 CO 0.51 -0.32 0.14 -1.81 -0.69 0.00 0.00 174.62 172.45 1ir7 s ASP 52 N -0.96 6.33 -0.03 3.53 1.01 0.48 -0.80 116.67 126.23 1ir7 s ASP 52 Ca -0.11 0.41 0.06 0.00 0.71 0.00 0.00 52.55 53.62 1ir7 s ASP 52 Cb -0.06 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.79 1ir7 s ASP 52 CO -0.00 0.35 -0.20 -0.31 0.21 0.00 0.00 175.17 175.22 1ir7 s TYR 53 N -0.70 1.85 0.00 4.23 1.51 0.19 -2.32 117.35 122.11 1ir7 s TYR 53 Ca 0.13 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1ir7 s TYR 53 Cb -0.12 -1.21 0.00 0.00 -0.11 0.00 0.00 41.96 40.52 1ir7 s TYR 53 CO 0.03 -0.09 0.00 0.41 -1.11 0.00 0.00 175.55 174.78 1ir7 n GLY 54 N 2.79 -1.89 0.40 0.71 0.00 -0.21 -1.41 105.19 105.58 1ir7 n GLY 54 Ca -0.16 -1.36 0.19 0.00 0.00 0.00 0.00 46.02 44.68 1ir7 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ir7 h ILE 55 N 0.00 0.66 -0.37 -0.61 6.09 -1.68 -1.19 117.51 120.42 1ir7 h ILE 55 Ca 0.00 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 1ir7 h ILE 55 Cb 0.00 0.16 0.00 0.00 0.47 0.00 0.00 36.82 37.45 1ir7 h ILE 55 CO 0.00 0.08 0.00 0.18 -3.07 0.00 0.00 178.15 175.34 1ir7 n LEU 56 N -4.56 3.12 -3.86 2.19 4.77 -1.26 -4.05 117.00 113.36 1ir7 n LEU 56 Ca 0.21 -2.10 -0.30 0.00 -0.03 0.00 0.00 56.01 53.78 1ir7 n LEU 56 Cb 0.70 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1ir7 n LEU 56 CO 0.29 0.75 -0.16 0.00 -1.33 0.00 0.00 177.39 176.93 1ir7 n GLN 57 N 0.51 -2.04 -2.46 3.23 1.13 -0.45 -4.92 117.38 112.38 1ir7 n GLN 57 Ca 0.14 0.39 -0.42 0.00 -1.94 0.00 0.00 57.00 55.16 1ir7 n GLN 57 Cb 0.49 -4.12 -0.03 0.00 0.11 0.00 0.00 30.24 26.69 1ir7 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ir7 s ILE 58 N -3.71 4.18 0.22 5.09 1.01 -0.50 -4.35 121.20 123.15 1ir7 s ILE 58 Ca 0.26 1.56 -0.30 0.00 0.00 0.00 0.00 60.65 62.17 1ir7 s ILE 58 Cb -0.10 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 1ir7 s ILE 58 CO 0.89 0.09 1.07 0.21 0.00 0.00 0.00 174.94 177.20 1ir7 s ASN 59 N 1.16 7.33 0.38 3.58 3.84 -1.26 -0.64 114.94 129.33 1ir7 s ASN 59 Ca 0.57 2.12 0.26 0.00 0.21 0.00 0.00 52.86 56.02 1ir7 s ASN 59 Cb -0.27 -2.61 0.70 0.00 -0.55 0.00 0.00 41.25 38.51 1ir7 s ASN 59 CO 0.27 -0.13 1.73 0.77 -2.79 0.00 0.00 177.10 176.95 1ir7 h SER 60 N 4.52 0.00 -0.15 -4.21 4.64 -1.23 -2.48 113.55 114.64 1ir7 h SER 60 Ca -0.45 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.81 1ir7 h SER 60 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1ir7 h SER 60 CO 0.70 0.00 -0.06 -0.09 -0.87 0.00 0.00 176.83 176.50 1ir7 h ARG 61 N 0.00 0.45 0.00 4.77 2.43 -1.83 -3.38 114.38 116.82 1ir7 h ARG 61 Ca 0.00 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 58.99 1ir7 h ARG 61 Cb 0.79 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1ir7 h ARG 61 CO 0.00 0.53 -1.27 0.91 -1.51 0.00 0.00 179.97 178.64 1ir7 n TRP 62 N -4.26 0.00 -0.08 2.20 7.02 -1.23 -0.77 117.44 120.33 1ir7 n TRP 62 Ca 0.01 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.37 1ir7 n TRP 62 Cb 0.27 -0.18 -0.15 0.00 -2.42 0.00 0.00 31.31 28.83 1ir7 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ir7 n TRP 63 N -2.52 0.36 -4.12 -5.99 7.02 -0.94 0.15 117.44 111.41 1ir7 n TRP 63 Ca -0.08 0.12 -0.10 0.00 -1.02 0.00 0.00 57.50 56.42 1ir7 n TRP 63 Cb 0.60 -1.06 -0.09 0.00 -2.42 0.00 0.00 31.31 28.33 1ir7 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ir7 s ASN 65 N -3.06 4.92 0.00 0.00 2.47 -0.51 -4.38 114.94 114.38 1ir7 s ASN 65 Ca 0.26 -0.17 0.01 0.00 0.42 0.00 0.00 52.86 53.39 1ir7 s ASN 65 Cb 0.06 -1.84 0.03 0.00 -1.45 0.00 0.00 41.25 38.05 1ir7 s ASN 65 CO 0.04 0.08 0.88 -0.90 -3.72 0.00 0.00 177.10 173.48 1ir7 n ASP 66 N 4.12 1.80 -0.80 -4.21 5.68 -1.26 -0.36 116.55 121.51 1ir7 n ASP 66 Ca -0.17 -1.71 -0.10 0.00 -0.50 0.00 0.00 54.79 52.30 1ir7 n ASP 66 Cb 0.52 -0.02 -0.04 0.00 -1.14 0.00 0.00 41.12 40.44 1ir7 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ir7 n GLY 67 N -0.24 1.06 0.24 6.12 0.00 -1.26 -4.75 105.19 106.35 1ir7 n GLY 67 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1ir7 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ir7 n ARG 68 N -1.25 0.00 -3.89 1.61 1.85 -1.26 -4.99 116.66 108.73 1ir7 n ARG 68 Ca -0.10 -0.74 -0.32 0.00 -1.00 0.00 0.00 57.85 55.69 1ir7 n ARG 68 Cb 0.52 -0.50 -0.13 0.00 -1.05 0.00 0.00 32.46 31.31 1ir7 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ir7 s THR 69 N 0.00 2.86 -0.02 8.89 2.01 -1.26 -4.91 115.64 123.21 1ir7 s THR 69 Ca 0.00 -2.94 -0.36 0.00 0.31 0.00 0.00 61.69 58.70 1ir7 s THR 69 Cb 0.00 -2.97 -0.14 0.00 0.01 0.00 0.00 72.50 69.40 1ir7 s THR 69 CO 0.00 -0.77 1.67 -2.65 -0.69 0.00 0.00 174.62 172.18 1ir7 n PRO 70 N 3.54 1.80 -0.63 4.92 -0.02 -1.26 -1.31 135.00 142.04 1ir7 n PRO 70 Ca 0.05 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1ir7 n PRO 70 Cb 0.36 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1ir7 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ir7 n GLY 71 N 3.73 0.70 3.62 -1.23 0.00 -1.26 -5.03 105.19 105.72 1ir7 n GLY 71 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1ir7 n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ir7 n SER 72 N 0.00 1.48 0.01 1.61 2.88 -0.43 -4.91 113.62 114.26 1ir7 n SER 72 Ca 0.00 1.07 0.11 0.00 -1.33 0.00 0.00 58.87 58.72 1ir7 n SER 72 Cb 0.00 -1.37 -0.11 0.00 -0.75 0.00 0.00 64.21 61.98 1ir7 n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ir7 n ARG 73 N 0.23 0.51 -4.10 -1.46 5.12 0.05 -4.97 116.66 112.04 1ir7 n ARG 73 Ca 0.09 -0.10 -0.30 0.00 -1.93 0.00 0.00 57.85 55.61 1ir7 n ARG 73 Cb 0.38 -1.57 -0.05 0.00 -1.16 0.00 0.00 32.46 30.06 1ir7 n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1ir7 n ASN 74 N -2.17 -0.28 0.31 0.55 5.15 -0.94 -4.85 115.26 113.03 1ir7 n ASN 74 Ca -0.01 -1.14 0.20 0.00 -0.60 0.00 0.00 54.58 53.02 1ir7 n ASN 74 Cb 0.51 -2.35 1.01 0.00 -0.53 0.00 0.00 39.78 38.42 1ir7 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ir7 h LEU 75 N -1.88 0.00 -1.88 1.20 3.38 -0.23 -1.18 115.31 114.73 1ir7 h LEU 75 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1ir7 h LEU 75 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1ir7 h LEU 75 CO 0.65 0.02 0.00 0.00 0.09 0.00 0.00 178.44 179.19 1ir7 n ASN 77 N 1.09 -5.01 -3.56 0.00 5.03 -0.45 -5.00 115.26 107.36 1ir7 n ASN 77 Ca 0.18 -0.95 -0.10 0.00 0.87 0.00 0.00 54.58 54.58 1ir7 n ASN 77 Cb 0.51 -2.07 -0.04 0.00 -1.02 0.00 0.00 39.78 37.16 1ir7 n ASN 77 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ir7 s MET 78 N -5.25 0.62 0.43 3.52 0.23 -1.26 -5.08 119.30 112.51 1ir7 s MET 78 Ca 0.11 0.02 -0.23 0.00 -1.03 0.00 0.00 55.69 54.56 1ir7 s MET 78 Cb -0.05 0.29 -0.09 0.00 -1.53 0.00 0.00 34.83 33.45 1ir7 s MET 78 CO 0.90 -0.22 1.06 -1.25 -2.03 0.00 0.00 175.02 173.47 1ir7 s PRO 79 N -1.66 4.01 0.58 3.16 0.04 -1.26 -1.42 135.00 138.45 1ir7 s PRO 79 Ca 0.01 1.49 0.31 0.00 0.04 0.00 0.00 61.00 62.84 1ir7 s PRO 79 Cb -0.01 -2.39 1.80 0.00 0.04 0.00 0.00 34.50 33.95 1ir7 s PRO 79 CO -0.01 -0.27 2.23 0.00 0.04 0.00 0.00 177.00 178.98 1ir7 h SER 81 N 0.00 0.00 -0.36 0.00 4.64 -1.92 -1.93 113.55 113.99 1ir7 h SER 81 Ca -0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1ir7 h SER 81 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1ir7 h SER 81 CO 0.00 0.09 0.24 0.00 -0.87 0.00 0.00 176.83 176.30 1ir7 h ALA 82 N 1.91 1.99 0.00 5.18 0.00 -1.68 -1.90 119.26 124.76 1ir7 h ALA 82 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ir7 h ALA 82 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ir7 h ALA 82 CO 0.01 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.49 1ir7 n LEU 83 N -4.48 0.00 -1.03 0.00 4.77 -0.72 -2.96 117.00 112.57 1ir7 n LEU 83 Ca 0.04 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.44 1ir7 n LEU 83 Cb 0.23 -0.30 0.16 0.00 -2.33 0.00 0.00 43.42 41.18 1ir7 n LEU 83 CO 0.35 -0.07 0.67 0.18 -1.33 0.00 0.00 177.39 177.18 1ir7 n LEU 84 N -1.30 3.15 -4.73 2.23 4.77 -0.71 -4.17 117.00 116.23 1ir7 n LEU 84 Ca 0.11 -1.18 -0.33 0.00 -0.03 0.00 0.00 56.01 54.58 1ir7 n LEU 84 Cb 0.19 -0.10 0.10 0.00 -2.33 0.00 0.00 43.42 41.28 1ir7 n LEU 84 CO 0.18 0.59 0.74 -0.55 -1.33 0.00 0.00 177.39 177.02 1ir7 s SER 85 N -1.80 4.24 0.45 -1.43 0.15 -1.16 -4.19 113.70 109.96 1ir7 s SER 85 Ca 0.33 2.11 0.29 0.00 0.70 0.00 0.00 55.95 59.38 1ir7 s SER 85 Cb 0.21 -2.56 1.02 0.00 -1.71 0.00 0.00 66.02 62.98 1ir7 s SER 85 CO 0.31 -2.22 1.84 0.77 1.20 0.00 0.00 173.24 175.13 1ir7 h SER 86 N -0.71 0.00 -3.58 5.45 4.64 -1.94 -3.40 113.55 114.02 1ir7 h SER 86 Ca -0.46 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.21 1ir7 h SER 86 Cb 1.26 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.20 1ir7 h SER 86 CO 0.50 0.00 0.07 -0.62 -0.87 0.00 0.00 176.83 175.91 1ir7 s ASP 87 N -5.48 6.34 0.00 4.97 -1.08 -1.26 -4.95 116.67 115.20 1ir7 s ASP 87 Ca 0.04 -0.19 0.00 0.00 -0.52 0.00 0.00 52.55 51.87 1ir7 s ASP 87 Cb 0.08 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.24 1ir7 s ASP 87 CO 0.55 -0.66 0.96 2.30 0.52 0.00 0.00 175.17 178.84 1ir7 n ILE 88 N 5.68 0.00 -0.18 4.11 -5.35 -1.26 -4.27 119.36 118.09 1ir7 n ILE 88 Ca -0.03 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.44 1ir7 n ILE 88 Cb 0.48 -0.02 0.09 0.00 -1.74 0.00 0.00 39.64 38.44 1ir7 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ir7 h THR 89 N 0.00 0.78 0.01 7.28 2.02 -1.94 0.27 112.91 121.34 1ir7 h THR 89 Ca 0.00 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1ir7 h THR 89 Cb 0.01 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1ir7 h THR 89 CO 0.00 0.07 -0.01 0.00 0.37 0.00 0.00 175.52 175.95 1ir7 h ALA 90 N 1.38 -0.02 -0.76 6.16 0.00 -1.88 -0.70 119.26 123.45 1ir7 h ALA 90 Ca 0.27 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1ir7 h ALA 90 Cb 0.33 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1ir7 h ALA 90 CO -0.29 -0.42 0.43 0.77 0.00 0.00 0.00 179.25 179.75 1ir7 h SER 91 N -0.19 0.63 -0.55 0.00 0.02 -1.76 -0.86 113.55 110.84 1ir7 h SER 91 Ca -0.00 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1ir7 h SER 91 Cb 0.19 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1ir7 h SER 91 CO 0.00 0.38 -0.07 0.58 -1.14 0.00 0.00 176.83 176.59 1ir7 h VAL 92 N 0.76 1.27 -0.55 2.27 2.07 -0.68 -0.23 116.25 121.15 1ir7 h VAL 92 Ca 0.36 -1.22 -0.09 0.00 0.82 0.00 0.00 66.70 66.56 1ir7 h VAL 92 Cb 0.28 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1ir7 h VAL 92 CO -0.22 0.43 -0.02 0.78 0.02 0.00 0.00 177.57 178.57 1ir7 h ASN 93 N 0.93 0.94 -0.19 0.57 -0.26 -0.42 -1.27 115.58 115.88 1ir7 h ASN 93 Ca 0.15 -0.26 -0.14 0.00 -0.56 0.00 0.00 56.30 55.49 1ir7 h ASN 93 Cb 0.63 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 1ir7 h ASN 93 CO 0.04 1.01 -0.43 0.00 -1.06 0.00 0.00 177.43 176.99 1ir7 h ALA 95 N 0.58 1.78 -0.81 0.00 0.00 -0.79 -0.21 119.26 119.82 1ir7 h ALA 95 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ir7 h ALA 95 Cb 1.04 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1ir7 h ALA 95 CO 0.09 0.18 0.38 0.87 0.00 0.00 0.00 179.25 180.77 1ir7 h LYS 96 N 0.49 1.17 -0.37 0.00 1.57 -1.17 0.57 116.57 118.83 1ir7 h LYS 96 Ca 0.16 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1ir7 h LYS 96 Cb 0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1ir7 h LYS 96 CO -0.04 0.91 -0.32 0.87 -0.57 0.00 0.00 179.45 180.30 1ir7 h LYS 97 N 1.16 0.87 0.01 3.15 1.57 -1.02 -2.82 116.57 119.49 1ir7 h LYS 97 Ca 0.28 -0.44 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1ir7 h LYS 97 Cb 0.13 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1ir7 h LYS 97 CO -0.03 1.09 -0.01 0.82 -0.57 0.00 0.00 179.45 180.75 1ir7 h ILE 98 N 0.67 1.15 0.00 1.86 2.04 -0.90 -2.66 117.51 119.67 1ir7 h ILE 98 Ca 0.06 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1ir7 h ILE 98 Cb 0.90 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1ir7 h ILE 98 CO 0.08 0.12 -0.02 1.62 0.00 0.00 0.00 178.15 179.96 1ir7 h VAL 99 N -0.22 0.14 -0.01 1.67 3.04 -0.93 -0.72 116.25 119.23 1ir7 h VAL 99 Ca -0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1ir7 h VAL 99 Cb 0.21 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1ir7 h VAL 99 CO 0.00 0.02 -0.27 -1.20 -1.01 0.00 0.00 177.57 175.11 1ir7 n SER 100 N -3.24 1.25 0.00 3.17 7.64 -1.07 -3.63 113.62 117.74 1ir7 n SER 100 Ca -0.02 -1.05 0.05 0.00 1.01 0.00 0.00 58.87 58.86 1ir7 n SER 100 Cb 0.15 0.18 0.24 0.00 -1.01 0.00 0.00 64.21 63.77 1ir7 n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ir7 n ASP 101 N -0.46 0.00 0.00 6.43 2.03 -0.28 -4.85 116.55 119.42 1ir7 n ASP 101 Ca 0.12 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1ir7 n ASP 101 Cb 0.37 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1ir7 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ir7 n GLY 102 N -0.49 1.23 0.67 0.27 0.00 -1.26 -4.91 105.19 100.71 1ir7 n GLY 102 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1ir7 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ir7 n ASN 103 N 0.00 2.97 0.00 1.61 4.13 -1.26 -5.08 115.26 117.64 1ir7 n ASN 103 Ca 0.00 -2.00 0.00 0.00 1.68 0.00 0.00 54.58 54.26 1ir7 n ASN 103 Cb 0.00 -0.24 0.00 0.00 -1.54 0.00 0.00 39.78 38.00 1ir7 n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ir7 n GLY 104 N 0.57 2.45 0.00 7.41 0.00 -1.24 -2.65 105.19 111.73 1ir7 n GLY 104 Ca 0.12 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.89 1ir7 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ir7 n MET 105 N 11.68 0.61 0.05 1.61 2.81 -1.26 -2.99 117.12 129.63 1ir7 n MET 105 Ca 0.00 0.01 0.07 0.00 -1.81 0.00 0.00 57.70 55.97 1ir7 n MET 105 Cb 0.00 -1.50 0.31 0.00 -0.71 0.00 0.00 33.22 31.32 1ir7 n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ir7 n ASN 106 N -1.17 0.24 0.26 7.83 3.02 -1.08 -1.24 115.26 123.11 1ir7 n ASN 106 Ca 0.17 0.58 0.11 0.00 -0.03 0.00 0.00 54.58 55.40 1ir7 n ASN 106 Cb 0.17 -0.62 0.71 0.00 -0.61 0.00 0.00 39.78 39.43 1ir7 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ir7 h ALA 107 N 2.25 1.54 -2.56 5.41 0.00 -1.70 -3.37 119.26 120.82 1ir7 h ALA 107 Ca 0.00 -0.08 -0.72 0.00 0.00 0.00 0.00 54.91 54.11 1ir7 h ALA 107 Cb 0.18 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 17.74 1ir7 h ALA 107 CO 0.00 0.12 -0.45 -1.58 0.00 0.00 0.00 179.25 177.34 1ir7 s TRP 108 N -4.53 3.24 0.32 0.00 0.51 -0.37 -4.97 118.94 113.14 1ir7 s TRP 108 Ca -0.04 -0.65 0.01 0.00 -2.12 0.00 0.00 56.10 53.30 1ir7 s TRP 108 Cb 0.15 -2.56 0.56 0.00 -0.81 0.00 0.00 33.47 30.81 1ir7 s TRP 108 CO 0.62 -0.59 1.95 -0.24 -0.51 0.00 0.00 176.95 178.17 1ir7 h VAL 109 N 5.67 1.11 -0.16 4.03 3.04 -1.84 -1.23 116.25 126.87 1ir7 h VAL 109 Ca -0.27 -0.34 -0.11 0.00 -1.01 0.00 0.00 66.70 64.98 1ir7 h VAL 109 Cb 1.12 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 1ir7 h VAL 109 CO 0.72 0.18 -0.38 0.00 -1.01 0.00 0.00 177.57 177.08 1ir7 h ALA 110 N 1.53 1.06 0.15 3.17 0.00 -1.93 -1.11 119.26 122.13 1ir7 h ALA 110 Ca 0.33 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ir7 h ALA 110 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ir7 h ALA 110 CO -0.11 0.59 -0.07 2.35 0.00 0.00 0.00 179.25 182.01 1ir7 h TRP 111 N 0.29 -0.19 -0.58 0.00 7.01 -1.56 0.10 115.95 121.03 1ir7 h TRP 111 Ca 0.03 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.09 1ir7 h TRP 111 Cb 0.80 0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.87 1ir7 h TRP 111 CO 0.02 0.13 0.26 -0.09 -2.79 0.00 0.00 178.44 175.98 1ir7 h ARG 112 N -0.52 0.48 0.00 2.65 2.43 -1.26 0.42 114.38 118.57 1ir7 h ARG 112 Ca -0.02 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1ir7 h ARG 112 Cb 0.40 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1ir7 h ARG 112 CO 0.03 0.32 -0.55 -0.91 -1.51 0.00 0.00 179.97 177.35 1ir7 h ASN 113 N 0.49 0.00 0.00 -3.80 2.35 -1.19 -3.36 115.58 110.07 1ir7 h ASN 113 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1ir7 h ASN 113 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1ir7 h ASN 113 CO -0.23 0.02 -0.09 0.54 -1.65 0.00 0.00 177.43 176.03 1ir7 n ARG 114 N -2.88 3.53 -0.04 0.81 1.74 0.34 -4.90 116.66 115.27 1ir7 n ARG 114 Ca 0.02 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.03 1ir7 n ARG 114 Cb 0.55 -0.34 -0.03 0.00 -1.02 0.00 0.00 32.46 31.62 1ir7 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ir7 n LYS 116 N -3.09 1.07 -0.82 0.00 4.81 0.12 -1.02 118.16 119.23 1ir7 n LYS 116 Ca -0.14 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1ir7 n LYS 116 Cb 0.62 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.64 1ir7 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ir7 n GLY 117 N 2.77 0.94 3.98 3.14 0.00 -1.26 -4.96 105.19 109.80 1ir7 n GLY 117 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1ir7 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ir7 s THR 118 N -3.32 2.85 -1.21 2.61 -4.23 -0.19 -4.97 115.64 107.18 1ir7 s THR 118 Ca 0.00 -0.77 -0.20 0.00 -1.18 0.00 0.00 61.69 59.54 1ir7 s THR 118 Cb 0.00 -3.03 0.02 0.00 1.34 0.00 0.00 72.50 70.83 1ir7 s THR 118 CO 0.00 -0.02 1.77 -0.62 -0.54 0.00 0.00 174.62 175.21 1ir7 s ASP 119 N -4.39 6.23 0.48 3.99 2.15 -1.26 -4.75 116.67 119.12 1ir7 s ASP 119 Ca 0.56 -2.02 0.33 0.00 0.43 0.00 0.00 52.55 51.84 1ir7 s ASP 119 Cb -0.10 -2.58 1.67 0.00 -0.30 0.00 0.00 42.92 41.61 1ir7 s ASP 119 CO 0.37 -1.80 1.99 -0.37 -0.17 0.00 0.00 175.17 175.18 1ir7 h VAL 120 N 5.97 0.00 0.00 1.11 -1.51 -1.90 -2.50 116.25 117.42 1ir7 h VAL 120 Ca 0.34 -0.10 -0.01 0.00 -1.23 0.00 0.00 66.70 65.70 1ir7 h VAL 120 Cb 0.91 0.89 -0.00 0.00 -2.13 0.00 0.00 31.29 30.96 1ir7 h VAL 120 CO 1.38 0.00 -0.05 1.56 -1.23 0.00 0.00 177.57 179.23 1ir7 h GLN 121 N 0.00 0.00 -0.05 5.19 7.50 -1.88 -1.80 115.11 124.07 1ir7 h GLN 121 Ca 0.00 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.16 1ir7 h GLN 121 Cb 0.12 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.65 1ir7 h GLN 121 CO 0.00 0.05 0.04 0.00 -1.50 0.00 0.00 178.83 177.42 1ir7 h ALA 122 N 1.95 1.86 0.00 3.87 0.00 -1.85 -2.12 119.26 122.97 1ir7 h ALA 122 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ir7 h ALA 122 Cb 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ir7 h ALA 122 CO 0.01 -0.06 -0.15 -1.49 0.00 0.00 0.00 179.25 177.56 1ir7 h TRP 123 N 0.00 0.00 -0.14 0.00 4.06 -1.55 -2.59 115.95 115.73 1ir7 h TRP 123 Ca 0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1ir7 h TRP 123 Cb 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 1ir7 h TRP 123 CO 0.00 0.15 0.00 0.44 -3.56 0.00 0.00 178.44 175.47 1ir7 n ILE 124 N -3.52 0.33 -1.76 1.49 -5.35 -0.82 -4.83 119.36 104.90 1ir7 n ILE 124 Ca -0.01 -0.67 -0.41 0.00 -0.27 0.00 0.00 62.75 61.39 1ir7 n ILE 124 Cb 0.30 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.21 1ir7 n ILE 124 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1ir7 n ARG 125 N 0.68 2.52 -0.50 6.28 0.63 -0.98 -2.18 116.66 123.11 1ir7 n ARG 125 Ca 0.09 0.89 0.00 0.00 -0.92 0.00 0.00 57.85 57.91 1ir7 n ARG 125 Cb 0.36 -2.61 0.00 0.00 0.45 0.00 0.00 32.46 30.66 1ir7 n ARG 125 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ir7 n GLY 126 N 0.52 1.87 3.83 5.14 0.00 -1.26 -5.01 105.19 110.28 1ir7 n GLY 126 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1ir7 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ir7 s ARG 128 N -2.13 3.11 0.00 0.00 3.52 -1.26 -5.13 118.95 117.06 1ir7 s ARG 128 Ca 0.42 -0.91 0.09 0.00 -0.13 0.00 0.00 55.73 55.21 1ir7 s ARG 128 Cb -0.15 -4.22 0.07 0.00 -1.56 0.00 0.00 34.95 29.09 1ir7 s ARG 128 CO 0.20 -1.72 0.80 1.28 -0.81 0.00 0.00 175.30 175.05