#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ir5 h PHE 3 N 0.00 0.01 -0.56 3.69 3.04 -2.05 -1.50 116.94 119.57 3ir5 h PHE 3 Ca 0.00 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 3ir5 h PHE 3 Cb 0.00 -0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 3ir5 h PHE 3 CO 0.00 0.34 0.31 -0.07 -2.02 0.00 0.00 178.31 176.87 3ir5 h LEU 4 N -0.33 0.71 -1.19 0.59 3.38 -2.05 -0.54 115.31 115.88 3ir5 h LEU 4 Ca 0.00 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 57.96 3ir5 h LEU 4 Cb 0.34 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 3ir5 h LEU 4 CO 0.00 0.60 0.57 -1.13 0.09 0.00 0.00 178.44 178.57 3ir5 h ASN 5 N 0.76 0.84 0.24 -0.43 -1.24 -1.97 -0.00 115.58 113.77 3ir5 h ASN 5 Ca 0.20 0.01 -0.29 0.00 0.71 0.00 0.00 56.30 56.93 3ir5 h ASN 5 Cb 0.05 -0.16 0.02 0.00 0.73 0.00 0.00 38.32 38.96 3ir5 h ASN 5 CO -0.03 0.52 -1.25 0.24 -1.29 0.00 0.00 177.43 175.62 3ir5 h MET 6 N 0.94 0.54 0.54 6.67 2.86 -0.70 -2.48 114.93 123.30 3ir5 h MET 6 Ca 0.40 -0.76 -0.02 0.00 -2.06 0.00 0.00 59.70 57.25 3ir5 h MET 6 Cb 0.30 0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3ir5 h MET 6 CO -0.16 1.34 -0.30 0.35 1.06 0.00 0.00 176.91 179.20 3ir5 h PHE 7 N 0.23 -0.80 -0.24 -0.22 3.57 -0.63 -0.55 116.94 118.29 3ir5 h PHE 7 Ca -0.18 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.35 3ir5 h PHE 7 Cb 1.93 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 40.93 3ir5 h PHE 7 CO 0.10 -0.47 0.16 0.74 -2.23 0.00 0.00 178.31 176.62 3ir5 h PHE 8 N -0.78 0.15 -0.05 0.41 -1.00 -1.13 0.35 116.94 114.89 3ir5 h PHE 8 Ca -0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.71 3ir5 h PHE 8 Cb 0.62 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.13 3ir5 h PHE 8 CO 0.02 0.09 0.00 1.19 -1.61 0.00 0.00 178.31 177.99 3ir5 n PHE 9 N -4.49 0.06 0.00 -0.55 3.72 -0.93 -4.17 117.46 111.10 3ir5 n PHE 9 Ca 0.02 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3ir5 n PHE 9 Cb 0.21 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 3ir5 n PHE 9 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3ir5 n ASP 10 N 0.28 2.72 -0.09 4.37 10.43 -0.25 -3.92 116.55 130.10 3ir5 n ASP 10 Ca 0.04 0.00 -0.09 0.00 2.57 0.00 0.00 54.79 57.32 3ir5 n ASP 10 Cb 0.20 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.13 3ir5 n ASP 10 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 3ir5 n ILE 11 N -2.19 1.49 -0.30 0.53 5.41 -0.60 -4.57 119.36 119.13 3ir5 n ILE 11 Ca 0.00 0.14 0.14 0.00 1.00 0.00 0.00 62.75 64.03 3ir5 n ILE 11 Cb 0.34 -2.35 0.30 0.00 -0.71 0.00 0.00 39.64 37.22 3ir5 n ILE 11 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 3ir5 h TYR 12 N -1.00 0.28 -0.80 1.39 3.20 -0.55 0.11 116.97 119.60 3ir5 h TYR 12 Ca -0.01 0.05 0.21 0.00 3.14 0.00 0.00 58.73 62.12 3ir5 h TYR 12 Cb 0.94 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.19 3ir5 h TYR 12 CO -0.39 -0.27 0.56 -1.35 -1.64 0.00 0.00 178.16 175.06 3ir5 h PRO 13 N 0.15 0.15 0.00 1.82 0.11 -1.80 0.08 132.00 132.51 3ir5 h PRO 13 Ca 0.57 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.56 3ir5 h PRO 13 Cb 1.17 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3ir5 h PRO 13 CO -0.71 0.10 -1.20 1.88 -0.21 0.00 0.00 178.00 177.85 3ir5 h TYR 14 N 0.15 0.00 -0.02 0.65 0.05 -1.03 -2.16 116.97 114.61 3ir5 h TYR 14 Ca 0.39 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.16 3ir5 h TYR 14 Cb 1.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.06 3ir5 h TYR 14 CO -0.00 0.39 -0.04 0.82 -1.05 0.00 0.00 178.16 178.28 3ir5 h ILE 15 N 0.00 1.45 -0.22 -2.88 2.04 -0.72 -1.63 117.51 115.56 3ir5 h ILE 15 Ca -0.10 -1.39 -0.08 0.00 1.00 0.00 0.00 64.86 64.29 3ir5 h ILE 15 Cb 1.39 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.80 3ir5 h ILE 15 CO 0.03 0.37 -0.21 0.00 0.00 0.00 0.00 178.15 178.34 3ir5 h ALA 16 N 0.44 1.24 -0.05 1.87 0.00 -1.17 -0.93 119.26 120.65 3ir5 h ALA 16 Ca 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 3ir5 h ALA 16 Cb 0.62 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ir5 h ALA 16 CO 0.01 0.50 -0.59 0.78 0.00 0.00 0.00 179.25 179.95 3ir5 h GLY 17 N 0.97 0.18 1.29 0.00 0.00 -1.40 -0.73 103.07 103.39 3ir5 h GLY 17 Ca 0.06 -0.22 -0.30 0.00 0.00 0.00 0.00 47.33 46.87 3ir5 h GLY 17 CO 0.04 0.20 -1.25 0.00 0.00 0.00 0.00 176.54 175.53 3ir5 h ALA 18 N 1.27 0.01 -0.36 3.60 0.00 -0.94 -2.83 119.26 120.00 3ir5 h ALA 18 Ca -0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 54.91 54.00 3ir5 h ALA 18 Cb 1.07 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3ir5 h ALA 18 CO 0.09 0.72 -0.26 0.28 0.00 0.00 0.00 179.25 180.07 3ir5 h VAL 19 N 0.25 1.28 -0.38 0.00 2.07 -1.15 -1.11 116.25 117.20 3ir5 h VAL 19 Ca -0.18 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 3ir5 h VAL 19 Cb 1.93 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 3ir5 h VAL 19 CO 0.24 0.46 0.21 0.15 0.02 0.00 0.00 177.57 178.64 3ir5 h PHE 20 N 0.65 0.52 0.02 1.57 3.57 -1.18 0.12 116.94 122.20 3ir5 h PHE 20 Ca 0.08 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 3ir5 h PHE 20 Cb 0.78 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.35 3ir5 h PHE 20 CO 0.04 0.41 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.45 3ir5 h LEU 21 N 0.49 -0.02 -0.81 0.59 3.38 -1.38 -2.70 115.31 114.85 3ir5 h LEU 21 Ca 0.13 -0.74 -0.13 0.00 0.09 0.00 0.00 57.88 57.24 3ir5 h LEU 21 Cb 0.06 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3ir5 h LEU 21 CO -0.02 0.77 -0.54 -0.29 0.09 0.00 0.00 178.44 178.44 3ir5 h ILE 22 N -0.84 1.38 -0.17 1.22 6.09 -1.29 -1.98 117.51 121.92 3ir5 h ILE 22 Ca -0.00 -1.85 -0.10 0.00 -1.37 0.00 0.00 64.86 61.54 3ir5 h ILE 22 Cb 0.76 1.95 -0.01 0.00 0.47 0.00 0.00 36.82 39.98 3ir5 h ILE 22 CO 0.00 0.54 -0.31 1.23 -3.07 0.00 0.00 178.15 176.55 3ir5 h GLY 23 N 1.50 0.37 0.58 8.18 0.00 -0.87 -1.16 103.07 111.67 3ir5 h GLY 23 Ca -0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 3ir5 h GLY 23 CO 0.08 0.29 -0.24 1.76 0.00 0.00 0.00 176.54 178.43 3ir5 h SER 24 N 0.30 0.29 0.21 0.19 0.02 -1.23 -2.45 113.55 110.87 3ir5 h SER 24 Ca 0.04 -0.67 -0.00 0.00 -0.84 0.00 0.00 61.79 60.32 3ir5 h SER 24 Cb 0.70 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3ir5 h SER 24 CO 0.05 0.91 -0.16 -0.25 -1.14 0.00 0.00 176.83 176.24 3ir5 h TRP 25 N -0.32 -0.42 -0.66 3.45 2.91 -1.31 -0.73 115.95 118.87 3ir5 h TRP 25 Ca -0.02 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.00 3ir5 h TRP 25 Cb 0.90 0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 29.68 3ir5 h TRP 25 CO 0.14 -0.25 0.41 -0.07 -1.03 0.00 0.00 178.44 177.65 3ir5 h LEU 26 N -0.38 0.78 -0.52 0.65 3.38 -1.30 -0.60 115.31 117.32 3ir5 h LEU 26 Ca -0.01 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3ir5 h LEU 26 Cb 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3ir5 h LEU 26 CO -0.01 0.59 -0.24 -0.09 0.09 0.00 0.00 178.44 178.78 3ir5 h ARG 27 N 0.91 0.00 0.03 1.13 2.43 -1.26 -1.17 114.38 116.45 3ir5 h ARG 27 Ca 0.24 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.19 3ir5 h ARG 27 Cb -0.06 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3ir5 h ARG 27 CO -0.05 0.24 -0.87 -0.92 -1.51 0.00 0.00 179.97 176.86 3ir5 h TYR 28 N 0.00 0.82 0.00 2.20 5.03 -0.05 0.20 116.97 125.17 3ir5 h TYR 28 Ca -0.00 -0.47 -0.18 0.00 2.58 0.00 0.00 58.73 60.66 3ir5 h TYR 28 Cb 0.99 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 39.17 3ir5 h TYR 28 CO 0.00 1.30 -0.83 -0.44 -1.32 0.00 0.00 178.16 176.87 3ir5 h ASP 29 N 0.10 0.09 -0.09 -2.11 3.45 -1.11 -3.34 116.42 113.41 3ir5 h ASP 29 Ca -0.12 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.27 3ir5 h ASP 29 Cb 1.56 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 40.30 3ir5 h ASP 29 CO 0.17 0.88 0.00 -1.22 -1.57 0.00 0.00 179.24 177.50 3ir5 n TYR 30 N -3.61 0.12 -2.72 4.55 4.01 -0.45 -4.76 117.16 114.31 3ir5 n TYR 30 Ca -0.02 -0.42 -0.00 0.00 -0.16 0.00 0.00 57.90 57.30 3ir5 n TYR 30 Cb 0.79 -0.04 0.06 0.00 -0.31 0.00 0.00 39.34 39.84 3ir5 n TYR 30 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ir5 n GLY 31 N -0.12 1.71 0.30 2.72 0.00 0.06 -4.94 105.19 104.93 3ir5 n GLY 31 Ca 0.03 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.37 3ir5 n GLY 31 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ir5 h GLN 32 N 1.88 0.55 0.00 1.61 1.08 -1.68 0.08 115.11 118.62 3ir5 h GLN 32 Ca -0.25 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 3ir5 h GLN 32 Cb 1.35 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.66 3ir5 h GLN 32 CO 0.05 0.36 -0.05 -0.92 -0.95 0.00 0.00 178.83 177.32 3ir5 h TYR 33 N 0.56 0.00 -0.01 2.96 5.03 -1.92 -1.27 116.97 122.32 3ir5 h TYR 33 Ca 0.45 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.76 3ir5 h TYR 33 Cb 0.67 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.95 3ir5 h TYR 33 CO -0.11 0.05 -0.32 0.25 -1.32 0.00 0.00 178.16 176.71 3ir5 n THR 34 N -3.38 0.00 -2.82 1.81 -2.24 -0.02 -4.74 114.28 102.90 3ir5 n THR 34 Ca -0.02 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 3ir5 n THR 34 Cb 0.18 0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 69.10 3ir5 n THR 34 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3ir5 s TRP 35 N -2.47 3.09 0.15 4.78 -0.11 -0.48 -4.96 118.94 118.95 3ir5 s TRP 35 Ca 0.23 -1.57 -0.07 0.00 1.22 0.00 0.00 56.10 55.91 3ir5 s TRP 35 Cb 0.19 -4.44 -0.02 0.00 -1.50 0.00 0.00 33.47 27.71 3ir5 s TRP 35 CO 0.53 -1.59 0.23 -0.98 -4.62 0.00 0.00 176.95 170.52 3ir5 s ARG 36 N 2.96 1.09 0.43 5.86 3.03 -1.26 -5.02 118.95 126.04 3ir5 s ARG 36 Ca 0.41 -1.24 0.23 0.00 2.03 0.00 0.00 55.73 57.17 3ir5 s ARG 36 Cb -0.02 0.34 0.78 0.00 -1.03 0.00 0.00 34.95 35.02 3ir5 s ARG 36 CO -0.04 -0.38 1.76 0.00 -1.13 0.00 0.00 175.30 175.51 3ir5 h ALA 37 N 2.63 0.96 -5.27 7.88 0.00 -1.93 -3.42 119.26 120.12 3ir5 h ALA 37 Ca -0.33 -0.21 -0.27 0.00 0.00 0.00 0.00 54.91 54.10 3ir5 h ALA 37 Cb 1.22 -0.04 0.16 0.00 0.00 0.00 0.00 17.79 19.14 3ir5 h ALA 37 CO 0.51 0.29 -0.73 0.00 0.00 0.00 0.00 179.25 179.32 3ir5 n ALA 38 N -2.20 -2.00 -1.75 0.00 0.00 -1.26 -4.95 120.51 108.34 3ir5 n ALA 38 Ca 0.01 0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 3ir5 n ALA 38 Cb 0.47 -3.38 0.04 0.00 0.00 0.00 0.00 19.45 16.58 3ir5 n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ir5 s SER 39 N -3.90 5.31 0.00 0.00 0.15 -1.26 -4.91 113.70 109.09 3ir5 s SER 39 Ca 0.16 2.72 0.00 0.00 0.70 0.00 0.00 55.95 59.52 3ir5 s SER 39 Cb -0.02 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 3ir5 s SER 39 CO 0.66 -1.54 0.38 -1.54 1.20 0.00 0.00 173.24 172.40 3ir5 n SER 40 N -1.04 0.63 -0.18 5.45 3.41 -1.26 -4.84 113.62 115.80 3ir5 n SER 40 Ca 0.10 -1.13 -0.01 0.00 -0.26 0.00 0.00 58.87 57.57 3ir5 n SER 40 Cb 0.45 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.47 3ir5 n SER 40 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3ir5 h GLN 41 N 0.00 0.06 -0.90 4.33 4.15 -1.91 -2.10 115.11 118.75 3ir5 h GLN 41 Ca 0.00 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.47 3ir5 h GLN 41 Cb 0.38 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.00 3ir5 h GLN 41 CO 0.00 0.04 0.59 1.98 -1.93 0.00 0.00 178.83 179.51 3ir5 h MET 42 N 0.06 1.01 0.00 1.69 4.05 -1.99 -1.24 114.93 118.51 3ir5 h MET 42 Ca 0.28 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.63 3ir5 h MET 42 Cb 0.44 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 31.01 3ir5 h MET 42 CO -0.51 0.67 -0.02 -0.07 0.23 0.00 0.00 176.91 177.20 3ir5 h LEU 43 N 1.04 0.00 -5.83 3.39 3.38 -1.75 -3.40 115.31 112.14 3ir5 h LEU 43 Ca 0.38 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.47 3ir5 h LEU 43 Cb 0.16 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.72 3ir5 h LEU 43 CO -0.14 0.02 -0.17 -0.62 0.09 0.00 0.00 178.44 177.62 3ir5 s ASP 44 N -5.59 -0.82 0.48 -0.43 2.15 -0.53 -4.85 116.67 107.08 3ir5 s ASP 44 Ca -0.02 -0.08 0.27 0.00 0.43 0.00 0.00 52.55 53.16 3ir5 s ASP 44 Cb 0.11 1.35 1.01 0.00 -0.30 0.00 0.00 42.92 45.08 3ir5 s ASP 44 CO 0.51 -0.13 1.86 0.03 -0.17 0.00 0.00 175.17 177.26 3ir5 h ARG 45 N 6.99 0.00 -6.18 4.34 3.08 -1.63 -3.44 114.38 117.54 3ir5 h ARG 45 Ca -0.04 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.30 3ir5 h ARG 45 Cb 1.19 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.26 3ir5 h ARG 45 CO -0.01 0.14 0.90 1.63 -1.07 0.00 0.00 179.97 181.56 3ir5 n LYS 46 N -3.26 1.35 0.00 0.04 4.76 -1.26 -2.04 118.16 117.74 3ir5 n LYS 46 Ca 0.01 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 55.94 3ir5 n LYS 46 Cb 0.40 -2.20 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 3ir5 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ir5 n GLY 47 N 4.09 1.87 0.28 0.72 0.00 -1.26 -4.83 105.19 106.06 3ir5 n GLY 47 Ca 0.25 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.31 3ir5 n GLY 47 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3ir5 h MET 48 N 1.03 0.35 0.69 1.61 2.86 -1.69 -0.50 114.93 119.28 3ir5 h MET 48 Ca 0.00 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3ir5 h MET 48 Cb 0.00 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 31.60 3ir5 h MET 48 CO 0.00 0.29 -0.33 -0.97 1.06 0.00 0.00 176.91 176.96 3ir5 h ASN 49 N 0.35 -0.79 0.54 1.22 -1.24 -1.88 -0.74 115.58 113.04 3ir5 h ASN 49 Ca 0.09 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.08 3ir5 h ASN 49 Cb 0.07 0.20 0.01 0.00 0.73 0.00 0.00 38.32 39.33 3ir5 h ASN 49 CO -0.01 -0.52 -0.26 0.25 -1.29 0.00 0.00 177.43 175.60 3ir5 h LEU 50 N -1.00 -0.62 0.01 0.34 7.12 -1.92 -2.97 115.31 116.28 3ir5 h LEU 50 Ca -0.09 -0.05 0.02 0.00 0.13 0.00 0.00 57.88 57.88 3ir5 h LEU 50 Cb 0.73 0.16 -0.06 0.00 -0.53 0.00 0.00 40.66 40.96 3ir5 h LEU 50 CO 0.16 -0.27 -0.53 0.00 -0.13 0.00 0.00 178.44 177.66 3ir5 h ALA 51 N -0.72 -0.93 -0.76 1.25 0.00 -1.15 -0.13 119.26 116.82 3ir5 h ALA 51 Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ir5 h ALA 51 Cb 0.63 0.94 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 3ir5 h ALA 51 CO 0.12 -1.11 0.48 1.03 0.00 0.00 0.00 179.25 179.78 3ir5 h SER 52 N -0.68 0.89 -0.13 0.00 0.87 -1.26 -0.81 113.55 112.43 3ir5 h SER 52 Ca 0.01 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3ir5 h SER 52 Cb 0.72 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 3ir5 h SER 52 CO -0.35 0.67 0.07 0.78 -0.53 0.00 0.00 176.83 177.46 3ir5 h ASN 53 N 1.03 0.17 0.09 6.23 2.35 -1.33 0.20 115.58 124.32 3ir5 h ASN 53 Ca 0.28 -0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.94 3ir5 h ASN 53 Cb -0.08 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 3ir5 h ASN 53 CO -0.06 0.23 -0.30 -0.07 -1.65 0.00 0.00 177.43 175.58 3ir5 h LEU 54 N 0.10 -0.87 -0.21 1.61 3.38 -0.77 0.15 115.31 118.71 3ir5 h LEU 54 Ca 0.05 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3ir5 h LEU 54 Cb 0.10 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3ir5 h LEU 54 CO -0.01 -0.38 0.06 0.15 0.09 0.00 0.00 178.44 178.35 3ir5 h PHE 55 N -0.50 0.10 -0.14 1.13 3.04 -0.99 -0.70 116.94 118.89 3ir5 h PHE 55 Ca 0.04 0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.88 3ir5 h PHE 55 Cb 0.55 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.04 3ir5 h PHE 55 CO -0.29 0.04 -0.38 0.45 -2.02 0.00 0.00 178.31 176.12 3ir5 h HIS 56 N 0.15 0.65 -0.83 0.41 3.86 -0.36 0.07 115.15 119.09 3ir5 h HIS 56 Ca 0.09 -0.26 -0.04 0.00 -1.16 0.00 0.00 60.37 59.01 3ir5 h HIS 56 Cb 0.07 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.39 3ir5 h HIS 56 CO -0.13 1.00 0.37 0.82 0.86 0.00 0.00 177.93 180.85 3ir5 h ILE 57 N 0.12 1.26 0.78 2.45 2.04 -0.72 -1.69 117.51 121.75 3ir5 h ILE 57 Ca -0.01 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 3ir5 h ILE 57 Cb 1.00 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3ir5 h ILE 57 CO 0.08 0.32 -0.37 1.23 0.00 0.00 0.00 178.15 179.41 3ir5 h GLY 58 N 1.20 -1.09 1.83 5.37 0.00 -1.05 -2.54 103.07 106.79 3ir5 h GLY 58 Ca 0.28 0.40 0.02 0.00 0.00 0.00 0.00 47.33 48.03 3ir5 h GLY 58 CO -0.03 -0.40 0.07 1.19 0.00 0.00 0.00 176.54 177.37 3ir5 h ILE 59 N -1.16 0.47 0.00 2.60 2.10 -0.97 0.47 117.51 121.01 3ir5 h ILE 59 Ca -0.11 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.74 3ir5 h ILE 59 Cb 0.80 0.94 -0.01 0.00 -1.09 0.00 0.00 36.82 37.46 3ir5 h ILE 59 CO 0.18 0.00 -0.42 -0.07 -1.08 0.00 0.00 178.15 176.75 3ir5 h LEU 60 N 0.00 0.00 0.10 2.19 3.38 -1.24 -1.70 115.31 118.04 3ir5 h LEU 60 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ir5 h LEU 60 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ir5 h LEU 60 CO -0.00 0.42 -0.05 1.23 0.09 0.00 0.00 178.44 180.13 3ir5 h GLY 61 N 3.14 -0.15 -0.01 0.83 0.00 -0.47 -2.52 103.07 103.89 3ir5 h GLY 61 Ca -0.00 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.43 3ir5 h GLY 61 CO 0.05 -0.05 -0.38 -2.22 0.00 0.00 0.00 176.54 173.94 3ir5 h ILE 62 N -0.71 0.20 -0.91 2.60 2.04 -1.45 0.35 117.51 119.62 3ir5 h ILE 62 Ca -0.01 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.03 3ir5 h ILE 62 Cb 0.54 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 3ir5 h ILE 62 CO 0.02 0.00 0.59 0.15 0.00 0.00 0.00 178.15 178.91 3ir5 h PHE 63 N -0.41 0.67 -0.10 1.37 3.04 -1.35 0.65 116.94 120.81 3ir5 h PHE 63 Ca 0.10 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.95 3ir5 h PHE 63 Cb 0.58 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 38.89 3ir5 h PHE 63 CO -0.49 0.19 -0.43 0.28 -2.02 0.00 0.00 178.31 175.84 3ir5 h VAL 64 N 0.52 1.38 -0.43 1.41 2.07 -0.78 -1.36 116.25 119.05 3ir5 h VAL 64 Ca 0.48 -1.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 3ir5 h VAL 64 Cb 1.03 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 3ir5 h VAL 64 CO -0.21 0.53 0.25 1.23 0.02 0.00 0.00 177.57 179.39 3ir5 h GLY 65 N 0.06 0.64 1.00 2.17 0.00 0.11 -1.78 103.07 105.27 3ir5 h GLY 65 Ca -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 3ir5 h GLY 65 CO 0.09 0.27 0.26 0.45 0.00 0.00 0.00 176.54 177.60 3ir5 h HIS 66 N 0.57 0.92 0.01 5.60 -0.00 0.16 0.41 115.15 122.81 3ir5 h HIS 66 Ca 0.15 -0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 3ir5 h HIS 66 Cb 0.02 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.15 3ir5 h HIS 66 CO -0.03 0.72 -0.00 0.35 -0.00 0.00 0.00 177.93 178.97 3ir5 h PHE 67 N 0.85 -0.01 0.00 2.45 3.04 -0.95 -1.40 116.94 120.91 3ir5 h PHE 67 Ca 0.21 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.16 3ir5 h PHE 67 Cb 0.18 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.69 3ir5 h PHE 67 CO 0.01 -0.01 0.00 0.74 -2.02 0.00 0.00 178.31 177.03 3ir5 h PHE 68 N -0.01 0.00 0.13 0.41 0.04 -1.41 -1.82 116.94 114.28 3ir5 h PHE 68 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3ir5 h PHE 68 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 3ir5 h PHE 68 CO 0.22 0.00 -0.06 0.78 -0.60 0.00 0.00 178.31 178.64 3ir5 h GLY 69 N 1.15 -0.18 1.12 -1.45 0.00 0.04 -3.34 103.07 100.41 3ir5 h GLY 69 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3ir5 h GLY 69 CO 0.00 -0.07 -0.65 1.03 0.00 0.00 0.00 176.54 176.86 3ir5 n MET 70 N -2.97 0.28 0.00 4.80 2.81 -0.55 -4.28 117.12 117.22 3ir5 n MET 70 Ca -0.02 0.08 0.10 0.00 -1.81 0.00 0.00 57.70 56.04 3ir5 n MET 70 Cb 0.07 -1.68 0.01 0.00 -0.71 0.00 0.00 33.22 30.91 3ir5 n MET 70 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3ir5 n LEU 71 N -2.09 1.99 0.00 4.03 4.77 -0.69 -4.41 117.00 120.61 3ir5 n LEU 71 Ca 0.03 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 3ir5 n LEU 71 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3ir5 n LEU 71 CO 0.37 0.37 0.00 0.41 -1.33 0.00 0.00 177.39 177.20 3ir5 n THR 72 N 0.11 0.00 0.00 -5.08 -1.04 -1.25 -5.03 114.28 101.99 3ir5 n THR 72 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3ir5 n THR 72 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 3ir5 n THR 72 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3ir5 n GLU 78 N 0.00 0.00 -0.11 -2.82 -0.58 -1.13 -5.15 120.64 110.85 3ir5 n GLU 78 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 3ir5 n GLU 78 Cb 0.00 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 30.79 3ir5 n GLU 78 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ir5 n ALA 79 N -1.40 0.95 1.35 0.62 0.00 -1.26 -3.97 120.51 116.80 3ir5 n ALA 79 Ca 0.00 -0.82 0.14 0.00 0.00 0.00 0.00 53.44 52.76 3ir5 n ALA 79 Cb 0.00 -0.09 0.50 0.00 0.00 0.00 0.00 19.45 19.87 3ir5 n ALA 79 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3ir5 n TRP 80 N -4.37 0.00 -2.87 0.00 7.02 -1.26 -4.35 117.44 111.61 3ir5 n TRP 80 Ca -0.37 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 55.99 3ir5 n TRP 80 Cb 0.71 -0.14 0.02 0.00 -2.42 0.00 0.00 31.31 29.48 3ir5 n TRP 80 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3ir5 n LEU 81 N -0.72 0.57 -4.76 -0.99 4.77 -1.26 -5.06 117.00 109.55 3ir5 n LEU 81 Ca 0.14 -4.19 -0.39 0.00 -0.03 0.00 0.00 56.01 51.55 3ir5 n LEU 81 Cb 0.31 0.55 0.03 0.00 -2.33 0.00 0.00 43.42 41.97 3ir5 n LEU 81 CO 0.24 1.92 0.99 -2.16 -1.33 0.00 0.00 177.39 177.05 3ir5 s PRO 82 N -2.25 3.43 0.45 3.23 0.04 -1.25 -2.83 135.00 135.81 3ir5 s PRO 82 Ca 0.31 2.23 0.31 0.00 0.04 0.00 0.00 61.00 63.89 3ir5 s PRO 82 Cb 0.40 -2.43 1.43 0.00 0.04 0.00 0.00 34.50 33.94 3ir5 s PRO 82 CO -0.03 -0.96 1.65 0.97 0.04 0.00 0.00 177.00 178.68 3ir5 h ILE 83 N 1.81 0.19 -0.19 0.56 2.10 -1.93 0.45 117.51 120.50 3ir5 h ILE 83 Ca -0.51 -0.04 -0.07 0.00 1.08 0.00 0.00 64.86 65.33 3ir5 h ILE 83 Cb 1.28 0.07 -0.01 0.00 -1.09 0.00 0.00 36.82 37.07 3ir5 h ILE 83 CO 0.59 0.02 -0.17 1.05 -1.08 0.00 0.00 178.15 178.56 3ir5 h GLU 84 N 0.11 0.33 -0.02 2.19 4.11 -1.89 0.62 114.58 120.04 3ir5 h GLU 84 Ca 0.78 -0.09 -0.22 0.00 0.07 0.00 0.00 59.36 59.90 3ir5 h GLU 84 Cb 2.53 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.75 3ir5 h GLU 84 CO -0.32 0.50 -0.90 0.28 0.07 0.00 0.00 179.01 178.64 3ir5 h VAL 85 N 0.30 1.39 -0.31 -1.06 2.07 -0.44 -2.66 116.25 115.54 3ir5 h VAL 85 Ca 0.06 -2.38 -0.12 0.00 0.82 0.00 0.00 66.70 65.08 3ir5 h VAL 85 Cb 0.49 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3ir5 h VAL 85 CO 0.03 0.71 -0.28 0.11 0.02 0.00 0.00 177.57 178.16 3ir5 h LYS 86 N 0.25 0.65 0.23 1.57 1.57 -1.17 -2.00 116.57 117.65 3ir5 h LYS 86 Ca -0.07 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 3ir5 h LYS 86 Cb 1.52 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.80 3ir5 h LYS 86 CO 0.16 0.86 -0.14 0.37 -0.57 0.00 0.00 179.45 180.12 3ir5 h GLN 87 N 0.56 -0.34 -0.50 3.15 4.15 -0.79 0.14 115.11 121.48 3ir5 h GLN 87 Ca 0.07 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.60 3ir5 h GLN 87 Cb 0.76 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.47 3ir5 h GLN 87 CO 0.06 -0.23 0.11 0.87 -1.93 0.00 0.00 178.83 177.72 3ir5 h LYS 88 N -0.35 0.25 -0.04 1.69 1.57 -1.32 0.26 116.57 118.62 3ir5 h LYS 88 Ca -0.02 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3ir5 h LYS 88 Cb 0.29 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3ir5 h LYS 88 CO 0.02 0.17 -0.03 0.52 -0.57 0.00 0.00 179.45 179.56 3ir5 h MET 89 N 0.26 -0.03 -0.92 3.15 2.86 -1.06 -0.48 114.93 118.71 3ir5 h MET 89 Ca 0.25 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.98 3ir5 h MET 89 Cb 0.32 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.91 3ir5 h MET 89 CO -0.31 -0.02 0.56 0.00 1.06 0.00 0.00 176.91 178.20 3ir5 h ALA 90 N 1.01 1.31 -0.35 6.32 0.00 0.21 0.59 119.26 128.36 3ir5 h ALA 90 Ca 0.03 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3ir5 h ALA 90 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ir5 h ALA 90 CO -0.06 0.23 -0.34 0.52 0.00 0.00 0.00 179.25 179.60 3ir5 h MET 91 N 0.95 0.84 0.00 0.00 2.07 0.07 -0.78 114.93 118.08 3ir5 h MET 91 Ca 0.43 -0.44 -0.09 0.00 -2.07 0.00 0.00 59.70 57.53 3ir5 h MET 91 Cb 0.33 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.06 3ir5 h MET 91 CO -0.23 1.08 -0.69 0.74 1.07 0.00 0.00 176.91 178.89 3ir5 h PHE 92 N 0.63 0.00 0.31 -0.22 -1.00 -0.81 -2.55 116.94 113.30 3ir5 h PHE 92 Ca 0.06 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.82 3ir5 h PHE 92 Cb 0.92 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.48 3ir5 h PHE 92 CO 0.07 0.66 -0.15 0.00 -1.61 0.00 0.00 178.31 177.28 3ir5 h ALA 93 N -0.71 -0.41 -0.28 2.45 0.00 0.02 -0.16 119.26 120.16 3ir5 h ALA 93 Ca -0.13 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 3ir5 h ALA 93 Cb 0.80 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3ir5 h ALA 93 CO -0.08 -0.68 -0.16 0.78 0.00 0.00 0.00 179.25 179.11 3ir5 h GLY 94 N -0.53 0.53 1.28 0.00 0.00 -0.98 -1.66 103.07 101.71 3ir5 h GLY 94 Ca -0.04 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 3ir5 h GLY 94 CO 0.07 0.35 -0.24 -1.33 0.00 0.00 0.00 176.54 175.39 3ir5 h GLY 95 N 0.95 0.89 0.82 4.60 0.00 -1.13 0.64 103.07 109.83 3ir5 h GLY 95 Ca 0.08 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.60 3ir5 h GLY 95 CO 0.03 0.71 0.00 0.00 0.00 0.00 0.00 176.54 177.28 3ir5 h ALA 96 N 1.02 0.27 -0.70 3.60 0.00 -0.75 -1.70 119.26 121.00 3ir5 h ALA 96 Ca 0.09 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ir5 h ALA 96 Cb 0.77 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3ir5 h ALA 96 CO 0.06 -0.01 0.45 0.77 0.00 0.00 0.00 179.25 180.52 3ir5 h SER 97 N 0.11 0.75 -0.12 0.00 0.02 -1.18 -2.06 113.55 111.08 3ir5 h SER 97 Ca 0.06 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3ir5 h SER 97 Cb 0.39 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3ir5 h SER 97 CO 0.01 0.53 0.06 1.23 -1.14 0.00 0.00 176.83 177.52 3ir5 h GLY 98 N 0.89 0.22 1.59 -3.77 0.00 -0.63 0.26 103.07 101.64 3ir5 h GLY 98 Ca 0.27 -0.09 -0.22 0.00 0.00 0.00 0.00 47.33 47.29 3ir5 h GLY 98 CO -0.09 0.09 -0.93 -2.08 0.00 0.00 0.00 176.54 173.53 3ir5 h VAL 99 N 0.21 1.42 -0.35 4.60 2.07 -0.65 -1.08 116.25 122.47 3ir5 h VAL 99 Ca 0.05 -2.48 -0.13 0.00 0.82 0.00 0.00 66.70 64.97 3ir5 h VAL 99 Cb 0.05 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3ir5 h VAL 99 CO -0.01 0.74 -0.29 -0.07 0.02 0.00 0.00 177.57 177.96 3ir5 h LEU 100 N 0.21 0.87 0.01 2.57 4.07 -0.74 -2.55 115.31 119.74 3ir5 h LEU 100 Ca -0.07 -0.45 -0.00 0.00 0.08 0.00 0.00 57.88 57.44 3ir5 h LEU 100 Cb 1.56 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 43.06 3ir5 h LEU 100 CO 0.16 1.14 -0.01 0.00 -1.08 0.00 0.00 178.44 178.65 3ir5 h LEU 102 N -0.14 0.53 -0.25 0.00 5.85 -1.21 0.38 115.31 120.48 3ir5 h LEU 102 Ca -0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3ir5 h LEU 102 Cb 0.13 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3ir5 h LEU 102 CO 0.00 0.37 0.13 0.40 -0.34 0.00 0.00 178.44 179.00 3ir5 h ILE 103 N 0.66 1.13 0.08 4.05 2.04 -1.42 0.16 117.51 124.21 3ir5 h ILE 103 Ca 0.25 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 3ir5 h ILE 103 Cb 0.08 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3ir5 h ILE 103 CO -0.13 0.12 -0.04 1.23 0.00 0.00 0.00 178.15 179.34 3ir5 h GLY 104 N 0.29 -0.11 0.23 5.37 0.00 -1.06 -1.10 103.07 106.70 3ir5 h GLY 104 Ca 0.09 0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.54 3ir5 h GLY 104 CO -0.01 -0.04 -0.04 -1.33 0.00 0.00 0.00 176.54 175.11 3ir5 h GLY 105 N -0.24 0.39 1.12 4.60 0.00 -0.10 0.17 103.07 109.01 3ir5 h GLY 105 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3ir5 h GLY 105 CO 0.02 -0.13 0.51 -2.08 0.00 0.00 0.00 176.54 174.86 3ir5 h VAL 106 N 0.06 1.24 -0.32 4.60 2.07 -0.48 -1.09 116.25 122.33 3ir5 h VAL 106 Ca 0.21 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 3ir5 h VAL 106 Cb 0.32 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3ir5 h VAL 106 CO -0.39 0.25 -0.13 -0.07 0.02 0.00 0.00 177.57 177.25 3ir5 h LEU 107 N 1.18 0.67 -1.21 2.57 3.38 -0.01 -0.98 115.31 120.92 3ir5 h LEU 107 Ca 0.31 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3ir5 h LEU 107 Cb -0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3ir5 h LEU 107 CO -0.06 0.91 0.53 -0.07 0.09 0.00 0.00 178.44 179.85 3ir5 h LEU 108 N 0.42 0.93 -0.35 1.67 3.38 -0.35 -1.40 115.31 119.61 3ir5 h LEU 108 Ca 0.07 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 3ir5 h LEU 108 Cb 0.65 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ir5 h LEU 108 CO 0.04 0.67 -0.69 0.25 0.09 0.00 0.00 178.44 178.80 3ir5 h LEU 109 N 1.09 0.68 -1.24 1.67 5.85 -0.98 -0.06 115.31 122.32 3ir5 h LEU 109 Ca 0.30 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 3ir5 h LEU 109 Cb -0.13 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 3ir5 h LEU 109 CO -0.06 1.18 -0.13 0.50 -0.34 0.00 0.00 178.44 179.58 3ir5 h LYS 110 N 0.41 0.36 0.09 1.25 3.64 -0.79 -1.47 116.57 120.07 3ir5 h LYS 110 Ca -0.03 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3ir5 h LYS 110 Cb 1.28 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3ir5 h LYS 110 CO 0.13 0.50 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.67 3ir5 h ARG 111 N 0.34 -0.12 -0.41 1.90 2.43 -1.02 -1.37 114.38 116.13 3ir5 h ARG 111 Ca 0.07 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3ir5 h ARG 111 Cb 0.44 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3ir5 h ARG 111 CO 0.03 0.36 0.27 -0.09 -1.51 0.00 0.00 179.97 179.03 3ir5 h ARG 112 N -0.67 0.49 0.04 0.20 2.43 -0.85 0.47 114.38 116.49 3ir5 h ARG 112 Ca -0.01 -0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 58.83 3ir5 h ARG 112 Cb 0.53 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 3ir5 h ARG 112 CO 0.02 0.32 -1.64 -0.07 -1.51 0.00 0.00 179.97 177.10 3ir5 h LEU 113 N 0.51 0.13 -0.43 3.80 3.38 -1.32 -3.16 115.31 118.21 3ir5 h LEU 113 Ca 0.16 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3ir5 h LEU 113 Cb 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3ir5 h LEU 113 CO -0.04 1.21 -0.18 0.49 0.09 0.00 0.00 178.44 180.01 3ir5 n PHE 114 N -3.22 0.00 -2.77 1.13 3.72 -0.52 -4.84 117.46 110.96 3ir5 n PHE 114 Ca -0.17 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.80 3ir5 n PHE 114 Cb 1.04 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.54 3ir5 n PHE 114 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ir5 s SER 115 N -1.22 6.43 0.31 4.37 0.15 0.16 -4.93 113.70 118.99 3ir5 s SER 115 Ca 0.04 -0.06 0.06 0.00 0.70 0.00 0.00 55.95 56.69 3ir5 s SER 115 Cb 0.05 -2.47 0.86 0.00 -1.71 0.00 0.00 66.02 62.75 3ir5 s SER 115 CO 0.19 -1.22 1.59 1.55 1.20 0.00 0.00 173.24 176.55 3ir5 h PRO 116 N 9.28 0.06 -0.20 5.44 0.13 -1.90 0.10 132.00 144.90 3ir5 h PRO 116 Ca -0.25 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.71 3ir5 h PRO 116 Cb 1.07 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 3ir5 h PRO 116 CO 1.09 0.04 -0.55 0.00 -0.23 0.00 0.00 178.00 178.35 3ir5 h ARG 117 N 0.06 0.61 -0.14 0.86 3.08 -1.91 -1.36 114.38 115.58 3ir5 h ARG 117 Ca 0.64 -0.39 -0.12 0.00 0.07 0.00 0.00 59.98 60.17 3ir5 h ARG 117 Cb 1.40 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.50 3ir5 h ARG 117 CO -0.82 1.00 -0.40 0.28 -1.07 0.00 0.00 179.97 178.96 3ir5 h VAL 118 N 0.47 1.36 -0.45 2.04 2.07 -1.49 -2.90 116.25 117.34 3ir5 h VAL 118 Ca 0.01 -1.69 -0.04 0.00 0.82 0.00 0.00 66.70 65.80 3ir5 h VAL 118 Cb 1.11 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 3ir5 h VAL 118 CO 0.11 0.51 0.13 -0.09 0.02 0.00 0.00 177.57 178.25 3ir5 h ARG 119 N 0.12 0.71 -0.24 1.57 9.65 -0.83 -1.78 114.38 123.59 3ir5 h ARG 119 Ca -0.01 -0.16 -0.04 0.00 -1.10 0.00 0.00 59.98 58.67 3ir5 h ARG 119 Cb 1.02 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.48 3ir5 h ARG 119 CO 0.09 0.69 -0.03 0.00 2.80 0.00 0.00 179.97 183.51 3ir5 h ALA 120 N 0.99 1.51 -0.51 2.80 0.00 -1.29 -3.04 119.26 119.72 3ir5 h ALA 120 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ir5 h ALA 120 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ir5 h ALA 120 CO -0.00 0.35 0.00 0.25 0.00 0.00 0.00 179.25 179.85 3ir5 n THR 121 N -4.31 0.83 -2.18 0.00 -2.24 -1.10 -5.01 114.28 100.27 3ir5 n THR 121 Ca 0.00 -0.92 -0.28 0.00 -2.27 0.00 0.00 64.05 60.59 3ir5 n THR 121 Cb 0.23 0.65 0.05 0.00 -2.10 0.00 0.00 70.33 69.16 3ir5 n THR 121 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3ir5 s THR 122 N -1.10 3.19 0.27 4.28 -1.32 -0.68 -5.06 115.64 115.21 3ir5 s THR 122 Ca 0.37 0.07 0.10 0.00 -1.21 0.00 0.00 61.69 61.02 3ir5 s THR 122 Cb 0.20 -3.33 -0.04 0.00 -1.51 0.00 0.00 72.50 67.82 3ir5 s THR 122 CO 0.27 -0.37 -0.02 0.42 -2.21 0.00 0.00 174.62 172.71 3ir5 s THR 123 N -3.19 3.35 0.16 5.08 -4.23 -1.26 -5.05 115.64 110.50 3ir5 s THR 123 Ca 0.57 -1.96 -0.17 0.00 -1.18 0.00 0.00 61.69 58.96 3ir5 s THR 123 Cb -0.11 -2.80 0.04 0.00 1.34 0.00 0.00 72.50 70.98 3ir5 s THR 123 CO 0.47 -0.37 1.71 1.23 -0.54 0.00 0.00 174.62 177.12 3ir5 h GLY 124 N 1.91 0.37 0.28 3.99 0.00 -2.00 -2.38 103.07 105.25 3ir5 h GLY 124 Ca -0.44 0.02 0.14 0.00 0.00 0.00 0.00 47.33 47.05 3ir5 h GLY 124 CO 0.60 -0.06 0.48 0.00 0.00 0.00 0.00 176.54 177.56 3ir5 h ALA 125 N 1.29 1.32 -0.67 3.60 0.00 -1.96 0.06 119.26 122.90 3ir5 h ALA 125 Ca 0.17 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3ir5 h ALA 125 Cb 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3ir5 h ALA 125 CO -0.26 -0.03 0.44 -0.44 0.00 0.00 0.00 179.25 178.96 3ir5 h ASP 126 N 0.69 0.74 -0.04 0.00 3.32 -1.84 0.14 116.42 119.43 3ir5 h ASP 126 Ca 0.47 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.38 3ir5 h ASP 126 Cb 0.62 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.00 3ir5 h ASP 126 CO -0.34 0.53 -0.46 0.40 -1.72 0.00 0.00 179.24 177.65 3ir5 h ILE 127 N 0.87 1.42 0.92 0.35 2.04 -1.00 -2.91 117.51 119.20 3ir5 h ILE 127 Ca 0.25 -1.90 -0.04 0.00 1.00 0.00 0.00 64.86 64.17 3ir5 h ILE 127 Cb -0.04 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 3ir5 h ILE 127 CO -0.06 0.55 -0.49 0.25 0.00 0.00 0.00 178.15 178.41 3ir5 h LEU 128 N -0.10 -1.18 -0.56 1.44 5.85 -0.57 -0.71 115.31 119.47 3ir5 h LEU 128 Ca -0.05 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.82 3ir5 h LEU 128 Cb 1.15 0.32 -0.08 0.00 0.37 0.00 0.00 40.66 42.42 3ir5 h LEU 128 CO 0.09 -0.79 0.13 -0.29 -0.34 0.00 0.00 178.44 177.24 3ir5 h ILE 129 N -1.29 0.69 -0.61 4.05 6.09 -0.88 0.21 117.51 125.77 3ir5 h ILE 129 Ca -0.13 -0.09 -0.04 0.00 -1.37 0.00 0.00 64.86 63.23 3ir5 h ILE 129 Cb 1.01 0.40 -0.03 0.00 0.47 0.00 0.00 36.82 38.67 3ir5 h ILE 129 CO 0.18 0.05 0.22 0.25 -3.07 0.00 0.00 178.15 175.78 3ir5 h LEU 130 N 0.27 0.87 -0.03 2.19 5.85 -1.49 -1.87 115.31 121.10 3ir5 h LEU 130 Ca 0.29 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3ir5 h LEU 130 Cb 0.40 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 3ir5 h LEU 130 CO -0.36 0.82 0.02 0.28 -0.34 0.00 0.00 178.44 178.87 3ir5 h SER 131 N 0.86 0.03 0.08 1.25 0.02 -0.11 -1.46 113.55 114.22 3ir5 h SER 131 Ca 0.20 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3ir5 h SER 131 Cb 0.25 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 3ir5 h SER 131 CO -0.01 0.03 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.55 3ir5 h LEU 132 N 0.04 0.00 -0.13 5.07 3.38 -0.82 -1.30 115.31 121.55 3ir5 h LEU 132 Ca 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3ir5 h LEU 132 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ir5 h LEU 132 CO -0.00 0.08 -0.42 -0.07 0.09 0.00 0.00 178.44 178.12 3ir5 h LEU 133 N 0.00 0.59 -0.38 1.67 3.38 -0.94 0.95 115.31 120.58 3ir5 h LEU 133 Ca -0.00 -0.61 0.02 0.00 0.09 0.00 0.00 57.88 57.38 3ir5 h LEU 133 Cb 0.15 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3ir5 h LEU 133 CO 0.01 1.09 0.21 0.58 0.09 0.00 0.00 178.44 180.42 3ir5 h VAL 134 N 0.11 1.01 -0.55 1.22 2.07 -0.77 0.26 116.25 119.61 3ir5 h VAL 134 Ca -0.02 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 3ir5 h VAL 134 Cb 1.05 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3ir5 h VAL 134 CO 0.09 0.08 0.15 0.40 0.02 0.00 0.00 177.57 178.30 3ir5 h ILE 135 N 0.42 1.24 -0.90 4.57 2.04 -1.24 -0.22 117.51 123.41 3ir5 h ILE 135 Ca 0.15 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 3ir5 h ILE 135 Cb 0.04 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 3ir5 h ILE 135 CO -0.09 0.31 0.49 -0.61 0.00 0.00 0.00 178.15 178.26 3ir5 h GLN 136 N 0.77 1.26 -0.15 2.37 5.75 -0.21 0.92 115.11 125.82 3ir5 h GLN 136 Ca 0.17 -0.15 -0.12 0.00 -0.15 0.00 0.00 58.65 58.40 3ir5 h GLN 136 Cb 0.32 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 3ir5 h GLN 136 CO -0.00 0.92 -0.44 0.00 -2.65 0.00 0.00 178.83 176.67 3ir5 h ALA 138 N 1.25 0.38 0.01 0.00 0.00 -0.51 -2.07 119.26 118.33 3ir5 h ALA 138 Ca 0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3ir5 h ALA 138 Cb 0.89 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3ir5 h ALA 138 CO 0.07 0.43 -0.01 -0.07 0.00 0.00 0.00 179.25 179.68 3ir5 h LEU 139 N 0.39 -0.02 -0.33 0.00 3.38 -0.66 -1.73 115.31 116.35 3ir5 h LEU 139 Ca 0.03 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3ir5 h LEU 139 Cb 0.91 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 3ir5 h LEU 139 CO 0.08 0.01 -0.53 1.23 0.09 0.00 0.00 178.44 179.32 3ir5 h GLY 140 N -0.04 -0.93 0.94 0.83 0.00 -0.77 0.14 103.07 103.24 3ir5 h GLY 140 Ca -0.00 0.67 0.11 0.00 0.00 0.00 0.00 47.33 48.11 3ir5 h GLY 140 CO 0.00 -0.15 0.44 1.41 0.00 0.00 0.00 176.54 178.24 3ir5 h LEU 141 N -0.43 0.42 -2.00 3.11 3.38 -1.25 -0.16 115.31 118.38 3ir5 h LEU 141 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3ir5 h LEU 141 Cb 0.62 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3ir5 h LEU 141 CO -0.55 0.25 -0.06 -0.07 0.09 0.00 0.00 178.44 178.10 3ir5 h LEU 142 N 0.47 0.00 -0.57 1.67 4.07 0.19 -1.95 115.31 119.19 3ir5 h LEU 142 Ca 0.31 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.27 3ir5 h LEU 142 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 3ir5 h LEU 142 CO -0.10 0.06 0.00 0.71 -1.08 0.00 0.00 178.44 178.03 3ir5 h THR 143 N 0.00 0.00 -0.14 0.22 1.35 -0.13 -3.33 112.91 110.88 3ir5 h THR 143 Ca -0.00 -0.77 0.05 0.00 -0.55 0.00 0.00 66.41 65.13 3ir5 h THR 143 Cb 0.33 1.76 -0.06 0.00 -1.73 0.00 0.00 68.15 68.46 3ir5 h THR 143 CO 0.01 0.00 -0.22 0.40 -0.25 0.00 0.00 175.52 175.46 3ir5 h ILE 144 N 0.00 0.45 0.00 6.82 2.04 -1.41 -0.08 117.51 125.34 3ir5 h ILE 144 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3ir5 h ILE 144 Cb 0.79 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3ir5 h ILE 144 CO 0.00 0.00 -0.00 1.55 0.00 0.00 0.00 178.15 179.70 3ir5 h PRO 145 N -0.28 0.00 0.00 2.37 0.13 -1.76 0.10 132.00 132.56 3ir5 h PRO 145 Ca 0.10 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.00 3ir5 h PRO 145 Cb 0.43 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.52 3ir5 h PRO 145 CO -0.30 0.00 -1.30 0.74 -0.23 0.00 0.00 178.00 176.91 3ir5 h PHE 146 N 0.00 0.00 0.00 1.56 0.04 -1.35 -3.22 116.94 113.98 3ir5 h PHE 146 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3ir5 h PHE 146 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 3ir5 h PHE 146 CO 0.00 0.92 -0.23 0.77 -0.60 0.00 0.00 178.31 179.17 3ir5 h SER 147 N 0.00 0.00 0.65 2.17 0.02 -0.16 -3.11 113.55 113.12 3ir5 h SER 147 Ca -0.14 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3ir5 h SER 147 Cb 1.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.36 3ir5 h SER 147 CO 0.09 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.79 3ir5 n ALA 148 N -2.08 1.97 0.56 3.77 0.00 -0.07 -2.10 120.51 122.56 3ir5 n ALA 148 Ca 0.03 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.51 3ir5 n ALA 148 Cb 0.52 -1.33 0.08 0.00 0.00 0.00 0.00 19.45 18.72 3ir5 n ALA 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ir5 n GLN 149 N -1.46 0.30 -3.08 0.00 6.02 -1.17 -4.36 117.38 113.62 3ir5 n GLN 149 Ca 0.06 0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.86 3ir5 n GLN 149 Cb 0.23 -1.64 -0.04 0.00 1.02 0.00 0.00 30.24 29.81 3ir5 n GLN 149 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3ir5 n HIS 150 N -2.04 1.92 0.00 1.08 8.25 -0.89 -4.93 115.22 118.60 3ir5 n HIS 150 Ca 0.02 -3.90 0.00 0.00 -0.26 0.00 0.00 57.72 53.58 3ir5 n HIS 150 Cb 0.44 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.10 3ir5 n HIS 150 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3ir5 n MET 151 N 0.08 0.00 0.00 -0.41 2.81 -1.22 -1.31 117.12 117.07 3ir5 n MET 151 Ca 0.28 0.14 0.15 0.00 -1.81 0.00 0.00 57.70 56.45 3ir5 n MET 151 Cb 0.54 -1.52 0.63 0.00 -0.71 0.00 0.00 33.22 32.16 3ir5 n MET 151 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3ir5 n ASP 152 N -1.11 1.11 -0.12 7.83 5.75 -1.26 -4.84 116.55 123.91 3ir5 n ASP 152 Ca 0.00 -1.37 -0.02 0.00 -0.01 0.00 0.00 54.79 53.40 3ir5 n ASP 152 Cb 0.02 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.10 3ir5 n ASP 152 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ir5 n GLY 153 N 1.13 0.51 0.23 6.12 0.00 -0.42 -4.41 105.19 108.34 3ir5 n GLY 153 Ca 0.20 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 3ir5 n GLY 153 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ir5 h SER 154 N 0.00 0.72 0.12 1.61 4.64 -1.92 -0.24 113.55 118.48 3ir5 h SER 154 Ca -0.03 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 3ir5 h SER 154 Cb 0.11 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3ir5 h SER 154 CO 0.05 0.79 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.41 3ir5 h GLU 155 N 0.62 -0.15 -1.00 4.77 4.39 -1.93 -2.97 114.58 118.31 3ir5 h GLU 155 Ca 0.14 0.01 0.16 0.00 0.34 0.00 0.00 59.36 60.01 3ir5 h GLU 155 Cb 0.37 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 28.96 3ir5 h GLU 155 CO 0.01 0.21 0.62 1.98 -1.16 0.00 0.00 179.01 180.67 3ir5 h MET 156 N -0.54 0.81 -0.26 2.33 4.05 -1.90 0.22 114.93 119.65 3ir5 h MET 156 Ca -0.02 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 3ir5 h MET 156 Cb 0.43 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 3ir5 h MET 156 CO 0.03 0.53 0.07 1.98 0.23 0.00 0.00 176.91 179.75 3ir5 h MET 157 N 0.83 0.36 0.47 0.39 1.85 -0.93 0.19 114.93 118.09 3ir5 h MET 157 Ca 0.54 -0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 59.56 3ir5 h MET 157 Cb 0.76 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.72 3ir5 h MET 157 CO -0.32 0.34 -0.23 0.87 -0.40 0.00 0.00 176.91 177.17 3ir5 h LYS 158 N 0.36 -0.61 -0.66 0.39 1.57 -0.44 -0.94 116.57 116.25 3ir5 h LYS 158 Ca 0.09 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.02 3ir5 h LYS 158 Cb 0.14 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.50 3ir5 h LYS 158 CO -0.00 -0.33 0.26 -0.07 -0.57 0.00 0.00 179.45 178.73 3ir5 h LEU 159 N -1.07 0.25 -1.29 2.94 -0.00 -1.16 0.55 115.31 115.53 3ir5 h LEU 159 Ca -0.06 0.09 -0.07 0.00 -0.00 0.00 0.00 57.88 57.83 3ir5 h LEU 159 Cb 0.56 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.28 3ir5 h LEU 159 CO 0.11 0.13 -0.35 0.58 -0.00 0.00 0.00 178.44 178.91 3ir5 h VAL 160 N 0.43 1.17 -0.32 1.22 2.07 -0.99 -1.09 116.25 118.74 3ir5 h VAL 160 Ca 0.34 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 3ir5 h VAL 160 Cb 0.46 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3ir5 h VAL 160 CO -0.34 0.34 -0.01 1.23 0.02 0.00 0.00 177.57 178.82 3ir5 h GLY 161 N 1.18 0.61 0.58 2.17 0.00 0.50 -2.08 103.07 106.03 3ir5 h GLY 161 Ca -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 3ir5 h GLY 161 CO 0.05 0.42 -0.34 -0.25 0.00 0.00 0.00 176.54 176.41 3ir5 h TRP 162 N 0.36 -0.91 -0.71 5.60 7.01 -0.75 -2.43 115.95 124.11 3ir5 h TRP 162 Ca 0.09 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.23 3ir5 h TRP 162 Cb 0.46 0.32 -0.13 0.00 -2.10 0.00 0.00 29.16 27.71 3ir5 h TRP 162 CO 0.04 -0.52 -0.10 0.00 -2.79 0.00 0.00 178.44 175.06 3ir5 h ALA 163 N -1.43 0.58 -0.18 2.65 0.00 -1.23 -0.49 119.26 119.16 3ir5 h ALA 163 Ca -0.08 0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3ir5 h ALA 163 Cb 0.69 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3ir5 h ALA 163 CO 0.09 -0.42 -0.13 1.96 0.00 0.00 0.00 179.25 180.75 3ir5 h GLN 164 N 0.04 0.28 0.00 0.00 4.20 -1.33 -1.64 115.11 116.66 3ir5 h GLN 164 Ca 0.36 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.95 3ir5 h GLN 164 Cb 0.59 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3ir5 h GLN 164 CO -0.69 0.42 -0.34 0.66 -0.67 0.00 0.00 178.83 178.21 3ir5 h SER 165 N 0.27 0.00 0.07 1.46 4.64 -0.70 -2.66 113.55 116.62 3ir5 h SER 165 Ca 0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3ir5 h SER 165 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3ir5 h SER 165 CO 0.02 0.27 -0.03 0.58 -0.87 0.00 0.00 176.83 176.80 3ir5 h VAL 166 N 0.00 1.24 0.00 0.95 2.07 -0.62 0.42 116.25 120.31 3ir5 h VAL 166 Ca -0.01 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.25 3ir5 h VAL 166 Cb 1.22 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 3ir5 h VAL 166 CO 0.03 0.30 0.00 -0.37 0.02 0.00 0.00 177.57 177.56 3ir5 h VAL 167 N -0.68 0.00 -0.57 2.57 -1.51 -1.37 -2.18 116.25 112.51 3ir5 h VAL 167 Ca -0.01 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 3ir5 h VAL 167 Cb 0.57 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 3ir5 h VAL 167 CO 0.02 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.71 3ir5 n THR 168 N -2.30 1.21 -3.73 7.19 -2.24 -1.00 -4.97 114.28 108.45 3ir5 n THR 168 Ca 0.02 -1.08 -0.25 0.00 -2.27 0.00 0.00 64.05 60.47 3ir5 n THR 168 Cb 0.25 0.40 0.03 0.00 -2.10 0.00 0.00 70.33 68.90 3ir5 n THR 168 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3ir5 n PHE 169 N 1.07 -1.88 -3.78 4.78 3.01 -0.82 -4.97 117.46 114.87 3ir5 n PHE 169 Ca 0.20 0.70 -0.37 0.00 1.01 0.00 0.00 57.45 59.00 3ir5 n PHE 169 Cb 0.62 -3.94 -0.13 0.00 -0.01 0.00 0.00 39.48 36.02 3ir5 n PHE 169 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 3ir5 s HIS 170 N -3.66 3.09 0.95 1.38 3.76 0.15 -5.04 115.29 115.91 3ir5 s HIS 170 Ca 0.17 -0.78 -0.11 0.00 -0.15 0.00 0.00 55.06 54.19 3ir5 s HIS 170 Cb -0.05 -2.22 0.16 0.00 1.11 0.00 0.00 32.58 31.58 3ir5 s HIS 170 CO 0.84 -0.50 1.11 0.20 -0.85 0.00 0.00 174.74 175.54 3ir5 s GLY 171 N 1.54 1.65 0.00 -2.22 0.00 -1.26 -3.62 107.32 103.41 3ir5 s GLY 171 Ca 0.04 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.11 3ir5 s GLY 171 CO 0.02 0.82 0.00 0.61 0.00 0.00 0.00 173.10 174.55 3ir5 n GLY 172 N 0.03 0.66 0.40 0.20 0.00 -1.26 -4.90 105.19 100.32 3ir5 n GLY 172 Ca 0.09 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.42 3ir5 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir5 h ALA 173 N 0.00 2.37 -0.77 4.61 0.00 -1.84 0.35 119.26 123.98 3ir5 h ALA 173 Ca 0.00 0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.21 3ir5 h ALA 173 Cb 0.01 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3ir5 h ALA 173 CO 0.00 -0.99 0.51 0.66 0.00 0.00 0.00 179.25 179.43 3ir5 h SER 174 N 0.18 0.42 -0.50 0.00 4.64 -1.91 -2.42 113.55 113.97 3ir5 h SER 174 Ca 0.77 0.02 0.09 0.00 -0.47 0.00 0.00 61.79 62.21 3ir5 h SER 174 Cb 2.14 -0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 64.10 3ir5 h SER 174 CO -0.51 0.22 0.07 1.56 -0.87 0.00 0.00 176.83 177.30 3ir5 h GLN 175 N 0.45 0.19 -0.28 4.77 4.20 -0.68 -0.62 115.11 123.13 3ir5 h GLN 175 Ca 0.38 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.16 3ir5 h GLN 175 Cb 0.82 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 3ir5 h GLN 175 CO -0.13 0.13 0.73 0.45 -0.67 0.00 0.00 178.83 179.33 3ir5 h HIS 176 N 0.20 0.00 -0.07 2.96 3.86 -1.58 0.40 115.15 120.93 3ir5 h HIS 176 Ca 0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 3ir5 h HIS 176 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 3ir5 h HIS 176 CO -0.25 0.00 0.00 1.28 0.86 0.00 0.00 177.93 179.82 3ir5 n LEU 177 N -3.00 1.86 -3.74 2.43 4.77 -0.24 -4.53 117.00 114.55 3ir5 n LEU 177 Ca 0.05 -0.66 -0.53 0.00 -0.03 0.00 0.00 56.01 54.84 3ir5 n LEU 177 Cb 0.84 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.79 3ir5 n LEU 177 CO 0.14 0.33 1.40 0.47 -1.33 0.00 0.00 177.39 178.40 3ir5 n ASP 178 N 0.45 0.72 0.00 -1.43 8.00 0.14 -0.96 116.55 123.47 3ir5 n ASP 178 Ca 0.18 0.67 0.00 0.00 0.71 0.00 0.00 54.79 56.34 3ir5 n ASP 178 Cb 0.40 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 3ir5 n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ir5 n GLY 179 N 5.90 0.32 3.68 0.44 0.00 -1.26 -5.01 105.19 109.25 3ir5 n GLY 179 Ca 0.44 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 3ir5 n GLY 179 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3ir5 n VAL 180 N -2.44 1.09 -1.74 1.61 3.14 -0.13 -4.86 118.33 114.99 3ir5 n VAL 180 Ca 0.00 -0.11 -0.42 0.00 -2.96 0.00 0.00 64.34 60.85 3ir5 n VAL 180 Cb 0.19 -1.10 -0.02 0.00 -1.06 0.00 0.00 33.84 31.85 3ir5 n VAL 180 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ir5 n ALA 181 N -3.74 2.51 -0.26 1.55 0.00 -1.26 -4.87 120.51 114.43 3ir5 n ALA 181 Ca 0.13 0.37 0.04 0.00 0.00 0.00 0.00 53.44 53.98 3ir5 n ALA 181 Cb 0.51 -2.46 0.13 0.00 0.00 0.00 0.00 19.45 17.63 3ir5 n ALA 181 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3ir5 h PHE 182 N 4.72 -0.24 -0.99 0.00 3.57 -2.00 -0.79 116.94 121.21 3ir5 h PHE 182 Ca -0.47 0.06 0.33 0.00 3.53 0.00 0.00 57.97 61.43 3ir5 h PHE 182 Cb 1.23 0.23 -0.18 0.00 2.79 0.00 0.00 35.95 40.01 3ir5 h PHE 182 CO 0.58 -0.30 0.24 1.51 -2.23 0.00 0.00 178.31 178.11 3ir5 n ILE 183 N -5.44 -0.42 -0.07 1.41 0.13 -1.26 0.19 119.36 113.90 3ir5 n ILE 183 Ca 0.12 2.11 0.00 0.00 -1.10 0.00 0.00 62.75 63.89 3ir5 n ILE 183 Cb 0.44 -3.23 0.29 0.00 -0.84 0.00 0.00 39.64 36.30 3ir5 n ILE 183 CO 0.00 0.00 0.00 -0.26 2.80 0.00 0.00 176.55 179.09 3ir5 h PHE 184 N 0.00 0.69 -0.24 9.51 0.04 -1.50 -2.07 116.94 123.37 3ir5 h PHE 184 Ca 0.70 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 61.44 3ir5 h PHE 184 Cb 1.66 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.58 3ir5 h PHE 184 CO -0.30 0.54 0.14 0.00 -0.60 0.00 0.00 178.31 178.09 3ir5 h ARG 185 N 0.69 0.33 -0.10 1.51 2.47 0.20 -0.43 114.38 119.04 3ir5 h ARG 185 Ca 0.17 -0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.87 3ir5 h ARG 185 Cb 0.13 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 3ir5 h ARG 185 CO -0.02 0.28 0.00 -0.07 0.56 0.00 0.00 179.97 180.73 3ir5 h LEU 186 N 0.29 -0.03 -0.76 3.04 3.38 -1.10 -1.42 115.31 118.71 3ir5 h LEU 186 Ca 0.09 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.14 3ir5 h LEU 186 Cb 0.04 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3ir5 h LEU 186 CO -0.01 -0.00 0.45 -0.74 0.09 0.00 0.00 178.44 178.22 3ir5 h HIS 187 N 0.04 0.82 -0.58 1.13 2.76 -1.18 0.83 115.15 118.97 3ir5 h HIS 187 Ca 0.05 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.15 3ir5 h HIS 187 Cb 0.05 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 3ir5 h HIS 187 CO -0.13 0.40 -0.01 -0.07 -1.30 0.00 0.00 177.93 176.82 3ir5 h LEU 188 N 0.82 1.02 -0.02 0.26 3.38 -0.74 -0.58 115.31 119.45 3ir5 h LEU 188 Ca 0.33 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ir5 h LEU 188 Cb 0.18 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3ir5 h LEU 188 CO -0.18 1.09 -0.02 0.58 0.09 0.00 0.00 178.44 180.00 3ir5 h VAL 189 N 0.93 1.39 -0.60 1.22 2.07 -0.73 -1.51 116.25 119.02 3ir5 h VAL 189 Ca 0.16 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 3ir5 h VAL 189 Cb 0.57 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 3ir5 h VAL 189 CO 0.03 0.31 0.19 0.25 0.02 0.00 0.00 177.57 178.38 3ir5 h LEU 190 N -0.43 0.83 -0.93 2.57 5.85 -0.90 -0.39 115.31 121.91 3ir5 h LEU 190 Ca 0.00 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 3ir5 h LEU 190 Cb 0.51 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3ir5 h LEU 190 CO 0.00 0.78 -0.12 1.23 -0.34 0.00 0.00 178.44 179.99 3ir5 h GLY 191 N 1.00 0.70 1.38 3.75 0.00 -1.07 -2.28 103.07 106.56 3ir5 h GLY 191 Ca 0.20 -0.51 -0.21 0.00 0.00 0.00 0.00 47.33 46.80 3ir5 h GLY 191 CO -0.01 0.47 -0.81 -0.33 0.00 0.00 0.00 176.54 175.86 3ir5 h MET 192 N 0.59 0.59 -0.79 4.80 2.86 -0.78 -3.06 114.93 119.15 3ir5 h MET 192 Ca 0.10 -0.52 0.10 0.00 -2.06 0.00 0.00 59.70 57.33 3ir5 h MET 192 Cb 0.55 0.12 -0.08 0.00 0.06 0.00 0.00 31.60 32.25 3ir5 h MET 192 CO 0.03 1.14 0.42 1.15 1.06 0.00 0.00 176.91 180.71 3ir5 h THR 193 N 0.39 0.85 -0.27 2.22 2.02 -0.84 0.15 112.91 117.42 3ir5 h THR 193 Ca -0.06 -0.23 0.06 0.00 0.77 0.00 0.00 66.41 66.95 3ir5 h THR 193 Cb 1.42 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3ir5 h THR 193 CO 0.15 0.12 0.19 -0.07 0.37 0.00 0.00 175.52 176.29 3ir5 h LEU 194 N 0.68 0.07 -0.49 2.58 3.38 -1.31 0.19 115.31 120.42 3ir5 h LEU 194 Ca 0.39 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.19 3ir5 h LEU 194 Cb 0.43 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3ir5 h LEU 194 CO -0.28 0.05 -0.69 -0.26 0.09 0.00 0.00 178.44 177.35 3ir5 h PHE 195 N 0.08 0.41 -0.51 1.13 -1.00 -0.75 0.12 116.94 116.43 3ir5 h PHE 195 Ca 0.12 -0.18 -0.12 0.00 2.81 0.00 0.00 57.97 60.60 3ir5 h PHE 195 Cb 0.39 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 3ir5 h PHE 195 CO -0.00 0.90 -0.16 1.25 -1.61 0.00 0.00 178.31 178.69 3ir5 h LEU 196 N 0.21 1.02 0.00 1.54 5.85 -0.02 -2.99 115.31 120.92 3ir5 h LEU 196 Ca -0.02 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3ir5 h LEU 196 Cb 1.25 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3ir5 h LEU 196 CO 0.11 1.16 -0.28 0.18 -0.34 0.00 0.00 178.44 179.27 3ir5 n LEU 197 N -4.14 0.36 0.02 2.25 4.77 -0.11 -4.41 117.00 115.73 3ir5 n LEU 197 Ca 0.01 0.27 -0.15 0.00 -0.03 0.00 0.00 56.01 56.11 3ir5 n LEU 197 Cb 0.43 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 41.09 3ir5 n LEU 197 CO 0.46 0.03 0.51 0.15 -1.33 0.00 0.00 177.39 177.21 3ir5 h PHE 198 N 0.00 -1.51 0.00 -1.77 3.57 -0.80 -2.22 116.94 114.20 3ir5 h PHE 198 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3ir5 h PHE 198 Cb 0.55 0.67 0.00 0.00 2.79 0.00 0.00 35.95 39.96 3ir5 h PHE 198 CO 0.00 -0.53 0.00 -0.35 -2.23 0.00 0.00 178.31 175.20 3ir5 n PRO 199 N -5.26 0.01 -0.26 6.41 -0.04 -1.26 -1.64 135.00 132.96 3ir5 n PRO 199 Ca -0.06 0.50 0.09 0.00 -0.04 0.00 0.00 63.50 63.99 3ir5 n PRO 199 Cb 0.36 -1.53 0.20 0.00 -0.04 0.00 0.00 33.50 32.49 3ir5 n PRO 199 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ir5 n PHE 200 N -1.55 0.48 -4.28 0.54 0.99 -0.85 -4.82 117.46 107.97 3ir5 n PHE 200 Ca -0.00 -0.92 -0.14 0.00 -0.00 0.00 0.00 57.45 56.38 3ir5 n PHE 200 Cb 0.01 -0.23 -0.04 0.00 -1.00 0.00 0.00 39.48 38.21 3ir5 n PHE 200 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3ir5 n SER 201 N -0.93 0.90 0.06 4.37 3.41 -0.65 -5.00 113.62 115.79 3ir5 n SER 201 Ca 0.18 -2.28 0.11 0.00 -0.26 0.00 0.00 58.87 56.62 3ir5 n SER 201 Cb 0.76 0.66 0.45 0.00 -0.26 0.00 0.00 64.21 65.81 3ir5 n SER 201 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3ir5 n ARG 202 N -0.52 0.12 0.06 4.33 1.85 -1.26 -3.47 116.66 117.76 3ir5 n ARG 202 Ca -0.02 0.25 0.04 0.00 -1.00 0.00 0.00 57.85 57.12 3ir5 n ARG 202 Cb 0.36 -1.68 0.20 0.00 -1.05 0.00 0.00 32.46 30.29 3ir5 n ARG 202 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3ir5 n LEU 203 N -1.90 0.19 0.28 2.89 4.77 -1.26 -2.00 117.00 119.97 3ir5 n LEU 203 Ca 0.04 0.56 0.19 0.00 -0.03 0.00 0.00 56.01 56.76 3ir5 n LEU 203 Cb 0.27 -0.57 0.94 0.00 -2.33 0.00 0.00 43.42 41.73 3ir5 n LEU 203 CO 0.21 -0.62 1.06 0.16 -1.33 0.00 0.00 177.39 176.87 3ir5 h ILE 204 N 0.00 0.00 -0.14 -0.08 -0.00 -1.72 -2.29 117.51 113.28 3ir5 h ILE 204 Ca 0.00 -0.11 0.04 0.00 -0.00 0.00 0.00 64.86 64.79 3ir5 h ILE 204 Cb 0.10 0.99 -0.01 0.00 -0.00 0.00 0.00 36.82 37.90 3ir5 h ILE 204 CO 0.00 0.00 0.11 1.12 -0.00 0.00 0.00 178.15 179.38 3ir5 h HIS 205 N 0.00 0.00 -0.98 0.16 2.07 -1.66 -1.54 115.15 113.20 3ir5 h HIS 205 Ca 0.00 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.61 3ir5 h HIS 205 Cb 0.12 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.03 3ir5 h HIS 205 CO 0.00 0.00 0.63 0.82 -3.07 0.00 0.00 177.93 176.31 3ir5 h ILE 206 N 0.00 1.02 -0.21 6.12 2.04 -1.68 0.16 117.51 124.96 3ir5 h ILE 206 Ca 0.06 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.62 3ir5 h ILE 206 Cb 0.28 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 3ir5 h ILE 206 CO -0.00 0.20 0.16 -0.50 0.00 0.00 0.00 178.15 178.01 3ir5 h TRP 207 N 1.07 0.00 -0.41 1.37 4.06 -1.48 -2.78 115.95 117.78 3ir5 h TRP 207 Ca 0.45 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.40 3ir5 h TRP 207 Cb 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 3ir5 h TRP 207 CO -0.00 0.00 0.00 0.43 -3.56 0.00 0.00 178.44 175.31 3ir5 n SER 208 N -4.36 3.86 -4.45 -3.49 7.64 0.56 -4.94 113.62 108.44 3ir5 n SER 208 Ca 0.02 -2.49 -0.52 0.00 1.01 0.00 0.00 58.87 56.89 3ir5 n SER 208 Cb 0.30 -0.57 -0.07 0.00 -1.01 0.00 0.00 64.21 62.86 3ir5 n SER 208 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3ir5 n VAL 209 N 0.53 0.19 -0.12 0.44 3.14 -1.05 -4.73 118.33 116.72 3ir5 n VAL 209 Ca 0.18 -0.22 -0.03 0.00 -2.96 0.00 0.00 64.34 61.31 3ir5 n VAL 209 Cb 0.79 -1.52 -0.01 0.00 -1.06 0.00 0.00 33.84 32.04 3ir5 n VAL 209 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 3ir5 n PRO 210 N 7.92 0.32 -0.08 1.45 -0.04 -1.26 -4.66 135.00 138.66 3ir5 n PRO 210 Ca 0.41 -0.56 -0.09 0.00 -0.04 0.00 0.00 63.50 63.23 3ir5 n PRO 210 Cb 0.20 -1.98 0.07 0.00 -0.04 0.00 0.00 33.50 31.76 3ir5 n PRO 210 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3ir5 h VAL 211 N 3.72 1.28 -0.16 0.52 -1.51 -1.99 -2.95 116.25 115.16 3ir5 h VAL 211 Ca 0.07 -1.42 0.05 0.00 -1.23 0.00 0.00 66.70 64.17 3ir5 h VAL 211 Cb 0.05 1.31 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 3ir5 h VAL 211 CO 0.97 0.47 0.26 1.05 -1.23 0.00 0.00 177.57 179.08 3ir5 h GLU 212 N 0.65 0.00 -0.55 5.19 4.11 -1.98 -2.51 114.58 119.48 3ir5 h GLU 212 Ca 0.08 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.55 3ir5 h GLU 212 Cb 0.81 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 3ir5 h GLU 212 CO 0.07 0.00 0.29 -0.92 0.07 0.00 0.00 179.01 178.52 3ir5 h TYR 213 N 0.00 0.53 -0.45 2.06 -0.00 -1.92 -2.55 116.97 114.65 3ir5 h TYR 213 Ca 0.08 0.02 0.13 0.00 -0.00 0.00 0.00 58.73 58.96 3ir5 h TYR 213 Cb 0.58 -0.16 -0.02 0.00 -0.00 0.00 0.00 36.73 37.14 3ir5 h TYR 213 CO 0.00 0.26 0.58 -0.07 -0.00 0.00 0.00 178.16 178.93 3ir5 h LEU 214 N 0.56 0.00 -2.66 2.82 3.38 -1.65 -1.84 115.31 115.92 3ir5 h LEU 214 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3ir5 h LEU 214 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3ir5 h LEU 214 CO -0.16 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.72 3ir5 n THR 215 N -3.49 0.83 -3.03 0.22 -2.24 -0.99 -5.06 114.28 100.52 3ir5 n THR 215 Ca 0.09 -0.88 -0.36 0.00 -2.27 0.00 0.00 64.05 60.62 3ir5 n THR 215 Cb 0.76 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 3ir5 n THR 215 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3ir5 s ARG 216 N -0.83 4.32 0.49 -0.78 3.52 -0.69 -5.04 118.95 119.93 3ir5 s ARG 216 Ca 0.00 0.97 -0.22 0.00 -0.13 0.00 0.00 55.73 56.34 3ir5 s ARG 216 Cb 0.00 -2.85 -0.07 0.00 -1.56 0.00 0.00 34.95 30.47 3ir5 s ARG 216 CO 0.00 0.36 1.22 0.15 -0.81 0.00 0.00 175.30 176.22 3ir5 s LYS 217 N -2.01 3.56 0.06 5.12 -0.14 -1.26 -4.96 119.74 120.10 3ir5 s LYS 217 Ca 0.45 1.90 -0.31 0.00 -1.36 0.00 0.00 55.97 56.65 3ir5 s LYS 217 Cb -0.17 -2.35 -0.18 0.00 -1.68 0.00 0.00 37.83 33.45 3ir5 s LYS 217 CO 0.21 -0.75 1.55 1.88 -0.76 0.00 0.00 175.35 177.48 3ir5 h TYR 218 N 1.84 -0.76 -3.36 3.18 0.99 -1.97 -3.43 116.97 113.46 3ir5 h TYR 218 Ca -0.50 -0.02 -0.57 0.00 2.00 0.00 0.00 58.73 59.65 3ir5 h TYR 218 Cb 1.26 0.25 -0.06 0.00 1.00 0.00 0.00 36.73 39.18 3ir5 h TYR 218 CO 0.51 -0.45 0.12 -0.65 -0.00 0.00 0.00 178.16 177.69 3ir5 s GLN 219 N -5.80 4.38 -0.12 4.88 -1.52 -1.26 -5.06 119.66 115.15 3ir5 s GLN 219 Ca -0.17 0.84 -0.01 0.00 -1.95 0.00 0.00 55.36 54.08 3ir5 s GLN 219 Cb 0.03 -3.48 -0.02 0.00 -0.22 0.00 0.00 33.01 29.32 3ir5 s GLN 219 CO 0.60 -0.03 -0.10 -0.51 -0.25 0.00 0.00 175.29 175.00 3ir5 s LEU 220 N 1.14 2.93 -0.08 2.90 1.43 -1.26 -5.11 118.68 120.63 3ir5 s LEU 220 Ca 0.36 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 3ir5 s LEU 220 Cb -0.17 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.40 3ir5 s LEU 220 CO 0.16 0.20 -0.09 -0.69 0.23 0.00 0.00 176.35 176.16 3ir5 s VAL 221 N 0.14 0.97 -0.25 -1.59 1.01 -1.26 -5.12 120.40 114.30 3ir5 s VAL 221 Ca -0.05 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 3ir5 s VAL 221 Cb -0.14 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 3ir5 s VAL 221 CO 0.04 0.33 0.16 -0.13 0.00 0.00 0.00 175.10 175.50 3ir5 s ARG 222 N 1.09 4.02 1.03 2.72 0.52 -1.26 -5.08 118.95 121.99 3ir5 s ARG 222 Ca -0.07 -0.30 -0.13 0.00 -0.52 0.00 0.00 55.73 54.71 3ir5 s ARG 222 Cb -0.14 -3.53 0.21 0.00 0.52 0.00 0.00 34.95 32.00 3ir5 s ARG 222 CO -0.01 0.01 1.09 0.00 0.02 0.00 0.00 175.30 176.41 3ir5 s ALA 223 N 1.20 0.84 0.40 2.13 0.00 -1.26 -4.95 121.76 120.13 3ir5 s ALA 223 Ca 0.07 -0.45 -0.27 0.00 0.00 0.00 0.00 51.96 51.31 3ir5 s ALA 223 Cb -0.14 -3.09 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 3ir5 s ALA 223 CO 0.06 -2.98 1.39 0.54 0.00 0.00 0.00 175.76 174.77 3ir5 n ARG 224 N -4.28 2.29 0.00 0.00 1.74 -1.26 -5.36 116.66 109.80 3ir5 n ARG 224 Ca 0.06 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 3ir5 n ARG 224 Cb 0.58 -2.53 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 3ir5 n ARG 224 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69