#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iru n SER 2 N 0.00 1.61 -2.98 -3.46 3.41 -1.26 -5.08 113.62 105.86 1iru n SER 2 Ca 0.00 -1.77 -0.39 0.00 -0.26 0.00 0.00 58.87 56.44 1iru n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1iru n SER 2 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1iru n ILE 3 N -0.39 0.00 0.00 -1.33 5.41 -1.26 -4.84 119.36 116.95 1iru n ILE 3 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1iru n ILE 3 Cb 0.27 -0.04 0.00 0.00 -0.71 0.00 0.00 39.64 39.17 1iru n ILE 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1iru n GLY 4 N 1.17 -1.51 2.60 7.39 0.00 -1.26 -4.95 105.19 108.63 1iru n GLY 4 Ca 0.14 0.63 -0.22 0.00 0.00 0.00 0.00 46.02 46.57 1iru n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iru n THR 5 N 0.00 1.73 0.00 2.61 -1.04 -1.26 -4.79 114.28 111.53 1iru n THR 5 Ca 0.00 -4.79 0.00 0.00 -2.04 0.00 0.00 64.05 57.22 1iru n THR 5 Cb 0.00 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 1iru n THR 5 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1iru n GLY 6 N -0.12 3.08 0.00 3.41 0.00 -1.26 -4.86 105.19 105.43 1iru n GLY 6 Ca 0.28 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.35 1iru n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1iru n TYR 7 N -0.68 0.00 -1.72 1.61 4.02 -1.26 -2.81 117.16 116.32 1iru n TYR 7 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 1iru n TYR 7 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.42 1iru n TYR 7 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1iru n ASP 8 N -0.83 1.35 -0.01 7.72 5.75 -1.26 -4.32 116.55 124.95 1iru n ASP 8 Ca 0.08 -2.81 0.07 0.00 -0.01 0.00 0.00 54.79 52.12 1iru n ASP 8 Cb 0.04 -0.37 -0.11 0.00 -1.03 0.00 0.00 41.12 39.64 1iru n ASP 8 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1iru n LEU 9 N -0.62 0.10 -4.01 -2.12 4.77 -1.12 -4.46 117.00 109.53 1iru n LEU 9 Ca 0.11 -0.07 -0.18 0.00 -0.03 0.00 0.00 56.01 55.84 1iru n LEU 9 Cb 0.77 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.72 1iru n LEU 9 CO -0.02 0.02 -0.42 -0.55 -1.33 0.00 0.00 177.39 175.09 1iru s SER 10 N -3.54 0.96 0.00 -1.43 0.15 -1.26 -5.00 113.70 103.58 1iru s SER 10 Ca -0.04 -0.17 0.18 0.00 0.70 0.00 0.00 55.95 56.62 1iru s SER 10 Cb 0.10 -0.10 0.80 0.00 -1.71 0.00 0.00 66.02 65.11 1iru s SER 10 CO 0.62 0.08 1.57 0.00 1.20 0.00 0.00 173.24 176.71 1iru n ALA 11 N 2.79 1.85 -0.64 5.45 0.00 -1.25 -2.28 120.51 126.43 1iru n ALA 11 Ca -0.14 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.30 1iru n ALA 11 Cb 0.57 -1.29 0.36 0.00 0.00 0.00 0.00 19.45 19.09 1iru n ALA 11 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1iru n SER 12 N -1.46 5.10 -4.02 0.00 3.41 -1.25 -4.32 113.62 111.08 1iru n SER 12 Ca 0.05 -2.76 -0.24 0.00 -0.26 0.00 0.00 58.87 55.67 1iru n SER 12 Cb 0.20 -0.65 -0.16 0.00 -0.26 0.00 0.00 64.21 63.33 1iru n SER 12 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1iru s THR 13 N -2.45 1.06 0.14 6.66 2.01 -0.97 -4.97 115.64 117.13 1iru s THR 13 Ca 0.48 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 1iru s THR 13 Cb 0.36 -0.97 -0.07 0.00 0.01 0.00 0.00 72.50 71.84 1iru s THR 13 CO 0.16 0.33 0.49 -0.36 -0.69 0.00 0.00 174.62 174.55 1iru s PHE 14 N 0.58 3.56 0.71 4.92 2.99 -1.26 -4.60 117.98 124.88 1iru s PHE 14 Ca -0.12 0.91 -0.11 0.00 0.00 0.00 0.00 56.93 57.61 1iru s PHE 14 Cb -0.15 -2.26 0.01 0.00 0.00 0.00 0.00 43.02 40.62 1iru s PHE 14 CO 0.03 0.43 1.09 -1.54 -0.00 0.00 0.00 175.22 175.23 1iru s SER 15 N -1.88 5.43 0.57 1.36 1.04 0.16 -4.86 113.70 115.52 1iru s SER 15 Ca 0.38 1.22 0.30 0.00 0.48 0.00 0.00 55.95 58.34 1iru s SER 15 Cb -0.14 -2.05 1.66 0.00 0.10 0.00 0.00 66.02 65.58 1iru s SER 15 CO 0.19 -1.36 1.92 -0.65 0.98 0.00 0.00 173.24 174.32 1iru h PRO 16 N -0.67 0.00 -0.38 4.02 0.11 -1.95 -0.84 132.00 132.29 1iru h PRO 16 Ca -0.45 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 1iru h PRO 16 Cb 1.24 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.24 1iru h PRO 16 CO 0.63 0.00 -0.04 -0.40 -0.21 0.00 0.00 178.00 177.98 1iru n ASP 17 N -2.74 2.61 -1.18 -2.05 5.75 -1.26 -4.98 116.55 112.70 1iru n ASP 17 Ca -0.02 -3.73 -0.08 0.00 -0.01 0.00 0.00 54.79 50.95 1iru n ASP 17 Cb 0.25 -0.64 0.01 0.00 -1.03 0.00 0.00 41.12 39.70 1iru n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iru n GLY 18 N -1.09 0.23 3.37 6.12 0.00 -0.32 -5.07 105.19 108.43 1iru n GLY 18 Ca 0.34 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1iru n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iru s ARG 19 N -4.86 1.39 -0.58 1.61 0.52 -1.26 -4.83 118.95 110.94 1iru s ARG 19 Ca 0.09 -1.55 0.00 0.00 -0.52 0.00 0.00 55.73 53.76 1iru s ARG 19 Cb -0.04 -1.37 0.15 0.00 0.52 0.00 0.00 34.95 34.21 1iru s ARG 19 CO 0.12 0.26 0.36 0.08 0.02 0.00 0.00 175.30 176.13 1iru s VAL 20 N -2.45 3.19 0.50 3.52 1.01 -1.26 0.36 120.40 125.27 1iru s VAL 20 Ca 0.21 -3.12 0.20 0.00 0.00 0.00 0.00 61.98 59.27 1iru s VAL 20 Cb -0.04 -3.14 0.35 0.00 0.00 0.00 0.00 36.38 33.56 1iru s VAL 20 CO 0.08 -0.84 2.02 -0.26 0.00 0.00 0.00 175.10 176.10 1iru h PHE 21 N 6.79 0.15 -0.75 5.22 -1.00 -1.82 -2.25 116.94 123.28 1iru h PHE 21 Ca -0.04 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.75 1iru h PHE 21 Cb 0.92 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 40.40 1iru h PHE 21 CO 0.62 0.07 0.50 1.96 -1.61 0.00 0.00 178.31 179.85 1iru h GLN 22 N 0.14 0.99 -0.27 1.51 1.08 -1.83 0.35 115.11 117.08 1iru h GLN 22 Ca 0.22 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.32 1iru h GLN 22 Cb 0.68 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1iru h GLN 22 CO -0.03 0.66 0.03 0.28 -0.95 0.00 0.00 178.83 178.82 1iru h VAL 23 N 1.02 1.24 -0.89 -0.54 2.07 -1.80 -0.62 116.25 116.73 1iru h VAL 23 Ca 0.28 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 67.00 1iru h VAL 23 Cb -0.12 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1iru h VAL 23 CO -0.06 0.27 0.57 -0.33 0.02 0.00 0.00 177.57 178.04 1iru h GLU 24 N 0.26 1.07 -0.23 1.57 5.08 -1.19 -0.75 114.58 120.38 1iru h GLU 24 Ca 0.08 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1iru h GLU 24 Cb 0.37 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1iru h GLU 24 CO 0.01 0.71 -0.11 1.88 -1.00 0.00 0.00 179.01 180.49 1iru h TYR 25 N 1.10 0.40 -0.27 4.33 0.99 -0.01 -2.28 116.97 121.23 1iru h TYR 25 Ca 0.36 -0.05 -0.11 0.00 2.00 0.00 0.00 58.73 60.92 1iru h TYR 25 Cb 0.02 -0.11 -0.01 0.00 1.00 0.00 0.00 36.73 37.63 1iru h TYR 25 CO -0.02 0.48 -0.30 0.00 -0.00 0.00 0.00 178.16 178.32 1iru h ALA 26 N 1.54 0.97 -0.35 3.88 0.00 0.29 -2.71 119.26 122.88 1iru h ALA 26 Ca 0.07 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1iru h ALA 26 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1iru h ALA 26 CO 0.02 0.60 -0.21 0.52 0.00 0.00 0.00 179.25 180.18 1iru h MET 27 N 0.47 0.67 -0.70 0.00 2.86 -0.75 -2.54 114.93 114.95 1iru h MET 27 Ca 0.06 -0.26 0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1iru h MET 27 Cb 0.77 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.34 1iru h MET 27 CO 0.06 0.83 0.41 0.87 1.06 0.00 0.00 176.91 180.14 1iru h LYS 28 N 0.59 0.73 -0.97 1.72 1.57 -1.13 0.44 116.57 119.53 1iru h LYS 28 Ca 0.09 -0.04 0.22 0.00 -1.87 0.00 0.00 60.65 59.04 1iru h LYS 28 Cb 0.69 -0.17 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 1iru h LYS 28 CO 0.05 0.49 0.62 0.00 -0.57 0.00 0.00 179.45 180.04 1iru h ALA 29 N 1.35 2.09 -0.08 3.86 0.00 -1.32 0.13 119.26 125.28 1iru h ALA 29 Ca 0.31 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 1iru h ALA 29 Cb 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1iru h ALA 29 CO -0.17 -0.43 -0.67 0.28 0.00 0.00 0.00 179.25 178.27 1iru h VAL 30 N 0.49 1.34 0.00 0.00 2.07 -0.17 -3.07 116.25 116.91 1iru h VAL 30 Ca 0.53 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1iru h VAL 30 Cb 1.19 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1iru h VAL 30 CO -0.25 0.60 0.00 -0.33 0.02 0.00 0.00 177.57 177.61 1iru h GLU 31 N 0.22 0.00 -0.00 1.57 4.39 0.17 -0.40 114.58 120.52 1iru h GLU 31 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1iru h GLU 31 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1iru h GLU 31 CO 0.14 0.00 -0.41 0.09 -1.16 0.00 0.00 179.01 177.66 1iru n ASN 32 N -2.98 0.90 -4.89 1.42 3.02 -0.04 -3.25 115.26 109.43 1iru n ASN 32 Ca -0.01 -0.70 -0.28 0.00 -0.03 0.00 0.00 54.58 53.56 1iru n ASN 32 Cb 0.16 0.26 0.08 0.00 -0.61 0.00 0.00 39.78 39.67 1iru n ASN 32 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1iru s SER 33 N -2.72 4.59 0.33 6.41 0.15 -0.16 -4.76 113.70 117.54 1iru s SER 33 Ca 0.18 0.63 -0.27 0.00 0.70 0.00 0.00 55.95 57.20 1iru s SER 33 Cb 0.18 -1.17 -0.09 0.00 -1.71 0.00 0.00 66.02 63.23 1iru s SER 33 CO 0.61 -1.81 1.03 -0.55 1.20 0.00 0.00 173.24 173.72 1iru s SER 34 N -4.56 7.13 0.35 5.45 0.15 -1.26 0.78 113.70 121.74 1iru s SER 34 Ca 0.62 2.05 -0.28 0.00 0.70 0.00 0.00 55.95 59.03 1iru s SER 34 Cb -0.11 -2.60 -0.10 0.00 -1.71 0.00 0.00 66.02 61.50 1iru s SER 34 CO 0.47 -0.23 1.37 -0.89 1.20 0.00 0.00 173.24 175.16 1iru s THR 35 N -1.46 2.48 0.01 6.45 2.01 -1.26 -4.53 115.64 119.35 1iru s THR 35 Ca 0.50 0.48 0.02 0.00 0.31 0.00 0.00 61.69 63.01 1iru s THR 35 Cb -0.24 -3.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.95 1iru s THR 35 CO 0.31 0.11 -0.07 0.00 -0.69 0.00 0.00 174.62 174.28 1iru s ALA 36 N -1.14 0.58 0.07 7.40 0.00 -0.40 -1.30 121.76 126.97 1iru s ALA 36 Ca 0.51 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.06 1iru s ALA 36 Cb -0.42 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 1iru s ALA 36 CO 0.56 0.10 -0.09 0.96 0.00 0.00 0.00 175.76 177.29 1iru s ILE 37 N -0.50 0.74 -0.01 0.00 -4.36 0.71 -1.65 121.20 116.13 1iru s ILE 37 Ca -0.01 -1.38 0.02 0.00 -0.26 0.00 0.00 60.65 59.03 1iru s ILE 37 Cb -0.05 -1.02 -0.00 0.00 1.25 0.00 0.00 42.46 42.64 1iru s ILE 37 CO 0.00 -0.48 -0.08 -0.83 0.24 0.00 0.00 174.94 173.80 1iru s GLY 38 N -2.04 0.42 -0.06 6.27 0.00 0.83 -1.68 107.32 111.06 1iru s GLY 38 Ca -0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.37 1iru s GLY 38 CO -0.00 -0.16 0.11 -1.50 0.00 0.00 0.00 173.10 171.54 1iru s ILE 39 N 0.01 -0.17 -0.56 0.90 2.07 -0.66 -0.12 121.20 122.68 1iru s ILE 39 Ca 0.00 0.37 -0.28 0.00 -1.41 0.00 0.00 60.65 59.33 1iru s ILE 39 Cb -0.05 -0.22 0.01 0.00 0.13 0.00 0.00 42.46 42.33 1iru s ILE 39 CO -0.00 0.15 1.42 -0.60 -1.91 0.00 0.00 174.94 174.00 1iru s ARG 40 N 2.10 3.30 0.00 3.50 3.52 0.42 -1.84 118.95 129.95 1iru s ARG 40 Ca 0.02 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.09 1iru s ARG 40 Cb -0.12 -4.12 0.00 0.00 -1.56 0.00 0.00 34.95 29.15 1iru s ARG 40 CO -0.04 -1.94 0.00 0.00 -0.81 0.00 0.00 175.30 172.51 1iru n LYS 42 N -0.67 0.56 -1.58 0.00 2.85 0.16 -4.27 118.16 115.22 1iru n LYS 42 Ca 0.00 0.09 -0.04 0.00 -1.05 0.00 0.00 58.31 57.30 1iru n LYS 42 Cb 0.00 -1.78 0.09 0.00 -0.65 0.00 0.00 35.03 32.69 1iru n LYS 42 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1iru n ASP 43 N -2.55 2.51 0.00 -5.58 5.75 -1.26 -4.79 116.55 110.64 1iru n ASP 43 Ca 0.00 -3.18 0.00 0.00 -0.01 0.00 0.00 54.79 51.61 1iru n ASP 43 Cb 0.53 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1iru n ASP 43 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iru n GLY 44 N -0.60 -0.52 3.00 6.12 0.00 -1.26 -0.27 105.19 111.67 1iru n GLY 44 Ca 0.22 -1.38 -0.17 0.00 0.00 0.00 0.00 46.02 44.69 1iru n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 45 N -2.83 0.60 -0.02 1.61 1.01 0.42 -1.20 120.40 120.00 1iru s VAL 45 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.66 1iru s VAL 45 Cb 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 1iru s VAL 45 CO 0.00 0.12 -0.25 -0.69 0.00 0.00 0.00 175.10 174.28 1iru s VAL 46 N -0.28 1.95 -0.02 2.92 1.01 -0.76 -3.56 120.40 121.65 1iru s VAL 46 Ca 0.02 -1.05 0.07 0.00 0.00 0.00 0.00 61.98 61.01 1iru s VAL 46 Cb -0.04 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1iru s VAL 46 CO -0.00 0.55 -0.23 -0.36 0.00 0.00 0.00 175.10 175.06 1iru s PHE 47 N -0.57 2.14 -0.01 5.22 2.99 -1.05 -1.65 117.98 125.05 1iru s PHE 47 Ca 0.09 -0.45 -0.02 0.00 0.00 0.00 0.00 56.93 56.56 1iru s PHE 47 Cb -0.10 -1.38 0.00 0.00 0.00 0.00 0.00 43.02 41.54 1iru s PHE 47 CO -0.01 -0.07 0.04 0.20 -0.00 0.00 0.00 175.22 175.38 1iru s GLY 48 N -0.47 0.01 0.01 4.36 0.00 -0.68 0.01 107.32 110.55 1iru s GLY 48 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1iru s GLY 48 CO -0.00 -0.02 -0.02 0.14 0.00 0.00 0.00 173.10 173.20 1iru s VAL 49 N -0.25 0.10 -1.21 1.40 1.01 -0.25 -0.21 120.40 121.00 1iru s VAL 49 Ca -0.03 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 1iru s VAL 49 Cb -0.02 -0.14 0.18 0.00 0.00 0.00 0.00 36.38 36.40 1iru s VAL 49 CO -0.00 -0.13 1.48 1.21 0.00 0.00 0.00 175.10 177.66 1iru n GLU 50 N 2.62 3.44 -2.53 2.72 2.13 -0.42 -2.35 120.64 126.25 1iru n GLU 50 Ca -0.16 -3.86 -0.41 0.00 0.66 0.00 0.00 57.16 53.39 1iru n GLU 50 Cb 0.58 -2.98 -0.03 0.00 0.27 0.00 0.00 31.44 29.28 1iru n GLU 50 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1iru s LYS 51 N 1.12 3.27 0.44 5.31 2.20 -0.71 -4.59 119.74 126.79 1iru s LYS 51 Ca 0.41 -0.00 -0.26 0.00 -0.36 0.00 0.00 55.97 55.77 1iru s LYS 51 Cb -0.01 -4.13 -0.09 0.00 -1.51 0.00 0.00 37.83 32.09 1iru s LYS 51 CO -0.00 -2.02 1.42 -0.51 -0.36 0.00 0.00 175.35 173.88 1iru s LEU 52 N 5.67 4.14 -0.66 5.43 1.43 -1.26 -1.29 118.68 132.14 1iru s LEU 52 Ca 0.40 2.90 -0.27 0.00 -1.03 0.00 0.00 54.13 56.13 1iru s LEU 52 Cb -0.08 -3.91 0.02 0.00 0.03 0.00 0.00 46.19 42.25 1iru s LEU 52 CO 0.19 -1.11 1.38 -0.69 0.23 0.00 0.00 176.35 176.36 1iru s VAL 53 N -1.20 3.72 0.09 -1.59 1.01 -1.00 -4.84 120.40 116.58 1iru s VAL 53 Ca 0.60 0.50 -0.19 0.00 0.00 0.00 0.00 61.98 62.89 1iru s VAL 53 Cb -0.43 -4.65 -0.08 0.00 0.00 0.00 0.00 36.38 31.22 1iru s VAL 53 CO 0.56 -1.50 1.54 -0.07 0.00 0.00 0.00 175.10 175.63 1iru h LEU 54 N 13.39 0.42 -7.27 3.92 3.38 -1.91 -3.46 115.31 123.78 1iru h LEU 54 Ca -0.27 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.32 1iru h LEU 54 Cb 1.08 -0.11 -0.19 0.00 0.09 0.00 0.00 40.66 41.52 1iru h LEU 54 CO 1.24 0.60 -0.06 -0.55 0.09 0.00 0.00 178.44 179.76 1iru s SER 55 N -5.90 -0.41 0.00 -0.43 0.15 -1.26 -5.02 113.70 100.84 1iru s SER 55 Ca -0.14 0.36 0.19 0.00 0.70 0.00 0.00 55.95 57.06 1iru s SER 55 Cb 0.08 0.42 0.83 0.00 -1.71 0.00 0.00 66.02 65.63 1iru s SER 55 CO 0.74 -0.54 1.60 0.29 1.20 0.00 0.00 173.24 176.54 1iru n LYS 56 N 1.06 0.04 0.20 5.44 4.01 -1.26 -2.55 118.16 125.10 1iru n LYS 56 Ca -0.20 0.17 0.09 0.00 -0.51 0.00 0.00 58.31 57.86 1iru n LYS 56 Cb 0.57 -1.50 0.23 0.00 -0.51 0.00 0.00 35.03 33.81 1iru n LYS 56 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1iru h LEU 57 N 0.00 0.00 -9.91 -0.35 3.38 -2.00 -3.45 115.31 102.97 1iru h LEU 57 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1iru h LEU 57 Cb 0.30 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.07 1iru h LEU 57 CO 0.00 0.19 0.42 -0.31 0.09 0.00 0.00 178.44 178.83 1iru s TYR 58 N -3.25 3.38 0.71 1.13 4.12 -1.06 -5.03 117.35 117.35 1iru s TYR 58 Ca 0.04 1.67 -0.12 0.00 0.02 0.00 0.00 57.07 58.68 1iru s TYR 58 Cb 0.07 -3.16 0.02 0.00 -1.52 0.00 0.00 41.96 37.37 1iru s TYR 58 CO 0.67 -0.55 1.08 -1.21 0.02 0.00 0.00 175.55 175.56 1iru s GLU 59 N -2.17 2.68 -0.36 -0.62 0.41 -1.26 -4.96 118.70 112.42 1iru s GLU 59 Ca 0.54 1.17 -0.29 0.00 -0.41 0.00 0.00 54.97 55.97 1iru s GLU 59 Cb -0.25 -1.95 0.02 0.00 -1.78 0.00 0.00 34.13 30.17 1iru s GLU 59 CO 0.31 -1.32 1.09 -2.00 -0.49 0.00 0.00 175.26 172.85 1iru s GLU 60 N -4.66 3.98 0.00 1.61 2.12 -1.26 -2.46 118.70 118.03 1iru s GLU 60 Ca 0.62 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.89 1iru s GLU 60 Cb -0.17 -3.78 0.00 0.00 0.26 0.00 0.00 34.13 30.44 1iru s GLU 60 CO 0.50 -1.01 0.00 0.41 -0.54 0.00 0.00 175.26 174.62 1iru n GLY 61 N 4.11 1.14 3.82 -1.50 0.00 -1.26 -5.11 105.19 106.39 1iru n GLY 61 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1iru n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iru s SER 62 N -1.07 5.78 -1.37 1.61 0.15 -1.03 -3.66 113.70 114.11 1iru s SER 62 Ca 0.00 1.68 -0.13 0.00 0.70 0.00 0.00 55.95 58.20 1iru s SER 62 Cb 0.00 -2.51 0.11 0.00 -1.71 0.00 0.00 66.02 61.91 1iru s SER 62 CO 0.00 -1.17 0.55 0.59 1.20 0.00 0.00 173.24 174.42 1iru n ASN 63 N -2.43 -3.12 -4.58 5.45 4.13 -1.26 -4.86 115.26 108.59 1iru n ASN 63 Ca 0.08 -0.60 -0.43 0.00 1.68 0.00 0.00 54.58 55.30 1iru n ASN 63 Cb 0.53 -2.60 -0.00 0.00 -1.54 0.00 0.00 39.78 36.17 1iru n ASN 63 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1iru n LYS 64 N -3.85 1.26 -0.24 3.52 5.02 -1.24 -4.86 118.16 117.77 1iru n LYS 64 Ca 0.03 0.45 0.08 0.00 -2.02 0.00 0.00 58.31 56.85 1iru n LYS 64 Cb 0.51 -1.88 0.18 0.00 -0.02 0.00 0.00 35.03 33.81 1iru n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1iru n ARG 65 N 0.47 2.43 -4.16 1.97 1.74 -1.26 -4.93 116.66 112.92 1iru n ARG 65 Ca 0.10 -2.48 -0.22 0.00 -0.77 0.00 0.00 57.85 54.47 1iru n ARG 65 Cb 0.36 -1.55 -0.17 0.00 -1.02 0.00 0.00 32.46 30.08 1iru n ARG 65 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1iru s LEU 66 N -2.34 1.27 0.14 0.55 1.43 -1.26 -1.13 118.68 117.34 1iru s LEU 66 Ca 0.31 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1iru s LEU 66 Cb 0.25 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 1iru s LEU 66 CO 0.07 -0.06 -0.02 -0.36 0.23 0.00 0.00 176.35 176.21 1iru s PHE 67 N 1.10 1.07 -0.36 0.29 0.40 -0.30 -4.97 117.98 115.22 1iru s PHE 67 Ca -0.08 -1.00 -0.18 0.00 -0.60 0.00 0.00 56.93 55.07 1iru s PHE 67 Cb -0.14 -0.61 0.00 0.00 0.51 0.00 0.00 43.02 42.78 1iru s PHE 67 CO -0.01 -0.21 0.51 -0.80 0.70 0.00 0.00 175.22 175.41 1iru s ASN 68 N -3.12 6.30 0.12 1.36 0.01 -1.26 -0.53 114.94 117.82 1iru s ASN 68 Ca 0.20 -0.12 0.18 0.00 -0.71 0.00 0.00 52.86 52.41 1iru s ASN 68 Cb 0.06 -2.27 -0.08 0.00 0.41 0.00 0.00 41.25 39.37 1iru s ASN 68 CO 0.01 -0.51 0.94 0.58 -1.51 0.00 0.00 177.10 176.60 1iru h VAL 69 N 5.64 0.38 -3.11 1.60 2.07 -1.65 -3.48 116.25 117.70 1iru h VAL 69 Ca -0.28 -1.73 0.01 0.00 0.82 0.00 0.00 66.70 65.53 1iru h VAL 69 Cb 1.12 1.92 -0.09 0.00 -1.52 0.00 0.00 31.29 32.72 1iru h VAL 69 CO 0.78 0.22 0.16 -0.62 0.02 0.00 0.00 177.57 178.12 1iru s ASP 70 N -5.72 -0.34 0.54 0.57 -1.08 -1.14 -3.84 116.67 105.66 1iru s ASP 70 Ca -0.02 -0.41 0.36 0.00 -0.52 0.00 0.00 52.55 51.96 1iru s ASP 70 Cb 0.09 0.65 1.82 0.00 -1.46 0.00 0.00 42.92 44.01 1iru s ASP 70 CO 0.80 -1.15 2.10 0.08 0.52 0.00 0.00 175.17 177.52 1iru h ARG 71 N 2.06 0.00 -0.16 4.34 0.11 -1.95 -2.43 114.38 116.35 1iru h ARG 71 Ca -0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.82 1iru h ARG 71 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1iru h ARG 71 CO 0.32 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.00 1iru n HIS 72 N -2.88 0.21 -4.53 4.08 1.44 -1.26 -1.41 115.22 110.87 1iru n HIS 72 Ca -0.01 -0.40 -0.23 0.00 -2.01 0.00 0.00 57.72 55.07 1iru n HIS 72 Cb 0.14 -0.03 -0.16 0.00 0.12 0.00 0.00 29.99 30.06 1iru n HIS 72 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1iru s VAL 73 N -0.90 1.01 0.17 0.61 1.01 -0.92 -3.92 120.40 117.46 1iru s VAL 73 Ca 0.12 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1iru s VAL 73 Cb 0.07 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1iru s VAL 73 CO 0.09 0.32 -0.09 -0.83 0.00 0.00 0.00 175.10 174.59 1iru s GLY 74 N 0.41 1.74 -0.09 4.51 0.00 0.33 -1.68 107.32 112.53 1iru s GLY 74 Ca -0.08 -1.42 0.01 0.00 0.00 0.00 0.00 44.72 43.22 1iru s GLY 74 CO 0.02 -1.43 -0.09 -0.29 0.00 0.00 0.00 173.10 171.31 1iru s MET 75 N -2.72 1.54 -0.17 2.90 0.00 0.31 -0.92 119.30 120.25 1iru s MET 75 Ca 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 55.69 55.61 1iru s MET 75 Cb -0.09 -1.48 -0.01 0.00 0.00 0.00 0.00 34.83 33.24 1iru s MET 75 CO 0.15 -0.16 -0.08 0.00 0.00 0.00 0.00 175.02 174.93 1iru s ALA 76 N 1.31 2.75 0.28 4.11 0.00 -0.29 -1.15 121.76 128.77 1iru s ALA 76 Ca -0.03 -0.99 0.11 0.00 0.00 0.00 0.00 51.96 51.06 1iru s ALA 76 Cb -0.14 -1.46 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1iru s ALA 76 CO -0.04 -0.03 -0.15 0.14 0.00 0.00 0.00 175.76 175.68 1iru s VAL 77 N 0.81 2.68 -0.10 0.00 -7.23 -0.28 -0.03 120.40 116.24 1iru s VAL 77 Ca -0.03 -2.29 -0.09 0.00 -1.81 0.00 0.00 61.98 57.77 1iru s VAL 77 Cb -0.15 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.38 1iru s VAL 77 CO 0.01 -0.38 0.27 0.00 -0.31 0.00 0.00 175.10 174.69 1iru s ALA 78 N -2.48 -0.66 0.00 1.32 0.00 -0.38 -4.84 121.76 114.73 1iru s ALA 78 Ca 0.31 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1iru s ALA 78 Cb -0.05 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1iru s ALA 78 CO 0.16 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1iru n GLY 79 N 3.18 0.03 3.55 0.00 0.00 -1.26 -1.63 105.19 109.06 1iru n GLY 79 Ca -0.15 -2.12 -0.34 0.00 0.00 0.00 0.00 46.02 43.41 1iru n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iru s LEU 80 N 0.00 3.29 0.27 0.99 2.96 0.38 -4.87 118.68 121.71 1iru s LEU 80 Ca 0.00 0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 54.45 1iru s LEU 80 Cb 0.00 -2.52 0.53 0.00 0.50 0.00 0.00 46.19 44.70 1iru s LEU 80 CO 0.00 -2.80 1.60 0.25 -1.32 0.00 0.00 176.35 174.08 1iru h LEU 81 N 18.67 -0.50 -1.24 -0.68 5.85 -1.92 0.48 115.31 135.97 1iru h LEU 81 Ca -0.20 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1iru h LEU 81 Cb 1.19 0.44 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 1iru h LEU 81 CO 1.17 -0.26 0.36 0.00 -0.34 0.00 0.00 178.44 179.36 1iru h ALA 82 N 1.85 1.43 -0.28 1.25 0.00 -1.98 0.35 119.26 121.87 1iru h ALA 82 Ca 0.48 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 1iru h ALA 82 Cb 0.88 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1iru h ALA 82 CO -0.81 0.48 -0.02 -0.44 0.00 0.00 0.00 179.25 178.45 1iru h ASP 83 N 0.89 0.51 -0.38 0.00 5.19 -1.32 -2.89 116.42 118.42 1iru h ASP 83 Ca 0.23 -0.33 0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1iru h ASP 83 Cb 0.01 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 1iru h ASP 83 CO -0.04 0.72 0.25 0.00 -3.12 0.00 0.00 179.24 177.04 1iru h ALA 84 N 0.81 0.48 -0.91 3.45 0.00 -0.23 -2.28 119.26 120.59 1iru h ALA 84 Ca 0.08 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1iru h ALA 84 Cb 0.47 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1iru h ALA 84 CO 0.02 -0.07 0.59 0.00 0.00 0.00 0.00 179.25 179.79 1iru h ARG 85 N 0.50 1.03 0.00 0.00 3.08 -0.27 0.51 114.38 119.23 1iru h ARG 85 Ca 0.14 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 1iru h ARG 85 Cb -0.05 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.76 1iru h ARG 85 CO -0.04 0.68 -0.51 0.66 -1.07 0.00 0.00 179.97 179.69 1iru h SER 86 N 1.06 0.00 0.75 7.04 4.64 -1.28 -0.76 113.55 125.01 1iru h SER 86 Ca 0.39 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.61 1iru h SER 86 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1iru h SER 86 CO -0.14 0.51 -0.46 -0.07 -0.87 0.00 0.00 176.83 175.80 1iru h LEU 87 N 0.00 0.00 -0.38 5.97 3.38 -0.51 -1.62 115.31 122.15 1iru h LEU 87 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1iru h LEU 87 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1iru h LEU 87 CO 0.07 0.46 -0.66 0.00 0.09 0.00 0.00 178.44 178.40 1iru h ALA 88 N 1.54 0.56 -0.53 1.53 0.00 0.17 -0.69 119.26 121.83 1iru h ALA 88 Ca -0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 1iru h ALA 88 Cb 0.96 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1iru h ALA 88 CO 0.06 0.71 0.01 -0.44 0.00 0.00 0.00 179.25 179.59 1iru h ASP 89 N 0.43 0.92 -0.17 0.00 3.32 -0.81 -0.74 116.42 119.37 1iru h ASP 89 Ca -0.02 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 1iru h ASP 89 Cb 1.24 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1iru h ASP 89 CO 0.13 1.00 0.08 0.40 -1.72 0.00 0.00 179.24 179.13 1iru h ILE 90 N 0.82 1.12 -0.23 0.35 2.04 -1.18 0.15 117.51 120.58 1iru h ILE 90 Ca 0.15 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1iru h ILE 90 Cb 0.52 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 1iru h ILE 90 CO 0.03 0.12 -0.13 0.00 0.00 0.00 0.00 178.15 178.16 1iru h ALA 91 N 0.95 0.05 -0.11 1.87 0.00 -0.96 0.15 119.26 121.20 1iru h ALA 91 Ca 0.06 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1iru h ALA 91 Cb 0.11 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1iru h ALA 91 CO -0.01 -0.55 -0.13 0.00 0.00 0.00 0.00 179.25 178.57 1iru h ARG 92 N -0.11 -0.15 -0.89 0.00 3.08 -0.72 -0.25 114.38 115.34 1iru h ARG 92 Ca 0.13 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.23 1iru h ARG 92 Cb 0.31 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 1iru h ARG 92 CO -0.30 -0.10 0.57 1.49 -1.07 0.00 0.00 179.97 180.55 1iru h GLU 93 N -0.16 1.06 -0.34 0.04 4.81 -0.20 0.53 114.58 120.33 1iru h GLU 93 Ca 0.08 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1iru h GLU 93 Cb 0.28 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1iru h GLU 93 CO -0.21 0.70 0.11 1.49 -0.73 0.00 0.00 179.01 180.37 1iru h GLU 94 N 1.09 0.52 -0.04 1.92 4.57 -0.22 0.12 114.58 122.53 1iru h GLU 94 Ca 0.36 -0.11 -0.07 0.00 -1.18 0.00 0.00 59.36 58.36 1iru h GLU 94 Cb 0.04 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1iru h GLU 94 CO -0.13 0.54 -0.31 0.00 -1.18 0.00 0.00 179.01 177.92 1iru h ALA 95 N 0.95 1.40 0.02 2.92 0.00 -0.52 -2.24 119.26 121.80 1iru h ALA 95 Ca 0.11 -0.31 -0.25 0.00 0.00 0.00 0.00 54.91 54.47 1iru h ALA 95 Cb 0.23 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.98 1iru h ALA 95 CO -0.01 0.43 -0.98 1.03 0.00 0.00 0.00 179.25 179.73 1iru h SER 96 N 0.07 0.82 -0.60 0.00 0.87 -0.48 -3.09 113.55 111.13 1iru h SER 96 Ca 0.01 -0.76 -0.07 0.00 -1.23 0.00 0.00 61.79 59.73 1iru h SER 96 Cb 0.59 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 1iru h SER 96 CO 0.04 1.48 0.10 0.78 -0.53 0.00 0.00 176.83 178.70 1iru h ASN 97 N 0.25 0.98 -0.31 6.23 2.35 -0.89 -2.46 115.58 121.73 1iru h ASN 97 Ca -0.13 -0.23 0.03 0.00 -0.55 0.00 0.00 56.30 55.43 1iru h ASN 97 Cb 1.65 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 39.73 1iru h ASN 97 CO 0.19 0.98 0.11 0.15 -1.65 0.00 0.00 177.43 177.21 1iru h PHE 98 N 0.96 0.20 -0.85 1.19 3.57 -1.46 -0.43 116.94 120.12 1iru h PHE 98 Ca 0.19 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1iru h PHE 98 Cb 0.42 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 1iru h PHE 98 CO 0.03 0.09 0.43 -0.09 -2.23 0.00 0.00 178.31 176.54 1iru h ARG 99 N 0.24 1.20 -0.51 1.11 2.43 -1.43 0.15 114.38 117.58 1iru h ARG 99 Ca 0.14 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1iru h ARG 99 Cb 0.10 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1iru h ARG 99 CO -0.14 0.91 0.07 0.77 -1.51 0.00 0.00 179.97 180.07 1iru h SER 100 N 1.19 0.76 0.00 -3.80 0.02 -0.94 0.44 113.55 111.23 1iru h SER 100 Ca 0.29 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1iru h SER 100 Cb 0.08 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1iru h SER 100 CO -0.04 0.79 -0.16 0.78 -1.14 0.00 0.00 176.83 177.05 1iru h ASN 101 N 0.77 0.00 0.61 3.07 2.35 -0.65 -3.40 115.58 118.34 1iru h ASN 101 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1iru h ASN 101 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1iru h ASN 101 CO 0.01 0.57 -0.52 0.49 -1.65 0.00 0.00 177.43 176.33 1iru n PHE 102 N -4.66 0.14 -2.73 1.19 3.01 0.50 -5.00 117.46 109.91 1iru n PHE 102 Ca -0.02 0.04 -0.08 0.00 1.01 0.00 0.00 57.45 58.39 1iru n PHE 102 Cb 0.09 -0.37 0.04 0.00 -0.01 0.00 0.00 39.48 39.23 1iru n PHE 102 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iru n GLY 103 N 1.46 0.14 3.64 1.37 0.00 0.15 -5.02 105.19 106.92 1iru n GLY 103 Ca 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 1iru n GLY 103 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1iru s TYR 104 N -3.16 -0.04 0.25 1.61 -0.85 -1.25 -5.05 117.35 108.86 1iru s TYR 104 Ca 0.07 0.03 -0.31 0.00 -0.52 0.00 0.00 57.07 56.34 1iru s TYR 104 Cb -0.03 0.50 -0.13 0.00 0.38 0.00 0.00 41.96 42.68 1iru s TYR 104 CO 0.33 -0.05 1.53 0.09 -1.52 0.00 0.00 175.55 175.92 1iru n ASN 105 N 0.09 3.33 -4.74 -0.18 3.02 -1.26 -4.17 115.26 111.35 1iru n ASN 105 Ca 0.03 1.13 -0.41 0.00 -0.03 0.00 0.00 54.58 55.30 1iru n ASN 105 Cb 0.57 -1.50 -0.02 0.00 -0.61 0.00 0.00 39.78 38.22 1iru n ASN 105 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1iru s ILE 106 N 0.22 2.60 0.07 2.41 2.07 -1.26 -4.96 121.20 122.34 1iru s ILE 106 Ca 0.69 0.50 -0.31 0.00 -1.41 0.00 0.00 60.65 60.12 1iru s ILE 106 Cb -0.58 -3.32 -0.06 0.00 0.13 0.00 0.00 42.46 38.63 1iru s ILE 106 CO 0.46 0.08 1.29 -2.84 -1.91 0.00 0.00 174.94 172.01 1iru s PRO 107 N -0.29 4.37 0.37 3.50 0.02 -1.26 -4.87 135.00 136.85 1iru s PRO 107 Ca 0.60 1.89 0.16 0.00 0.02 0.00 0.00 61.00 63.68 1iru s PRO 107 Cb -0.43 -3.34 1.04 0.00 0.02 0.00 0.00 34.50 31.79 1iru s PRO 107 CO 0.43 -0.36 1.75 1.25 -0.33 0.00 0.00 177.00 179.74 1iru h LEU 108 N 7.02 0.52 -1.06 -5.54 5.85 -1.98 0.34 115.31 120.46 1iru h LEU 108 Ca -0.41 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 1iru h LEU 108 Cb 1.21 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1iru h LEU 108 CO 0.84 0.08 0.19 0.11 -0.34 0.00 0.00 178.44 179.33 1iru h LYS 109 N 0.45 0.86 -0.04 1.25 6.56 -1.99 -1.18 116.57 122.48 1iru h LYS 109 Ca 0.62 -0.15 -0.12 0.00 -1.06 0.00 0.00 60.65 59.93 1iru h LYS 109 Cb 1.45 -0.14 0.01 0.00 -0.57 0.00 0.00 32.23 32.97 1iru h LYS 109 CO -0.36 0.74 -0.46 1.25 -2.06 0.00 0.00 179.45 178.56 1iru h HIS 110 N 0.84 0.54 -0.62 -1.35 -0.00 -0.75 -0.97 115.15 112.84 1iru h HIS 110 Ca 0.19 -0.26 0.05 0.00 -0.00 0.00 0.00 60.37 60.35 1iru h HIS 110 Cb 0.23 -0.07 -0.04 0.00 -0.00 0.00 0.00 27.41 27.53 1iru h HIS 110 CO 0.01 1.05 0.41 1.25 -0.00 0.00 0.00 177.93 180.66 1iru h LEU 111 N -0.13 0.57 -0.13 0.26 5.85 -1.16 0.34 115.31 120.90 1iru h LEU 111 Ca -0.05 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 1iru h LEU 111 Cb 1.15 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1iru h LEU 111 CO 0.09 0.38 -0.37 0.00 -0.34 0.00 0.00 178.44 178.20 1iru h ALA 112 N 1.66 0.22 -0.46 1.25 0.00 -1.13 -2.06 119.26 118.73 1iru h ALA 112 Ca 0.26 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1iru h ALA 112 Cb 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1iru h ALA 112 CO -0.08 0.30 0.04 -0.44 0.00 0.00 0.00 179.25 179.07 1iru h ASP 113 N 0.09 0.69 0.63 0.00 3.32 -0.54 -1.01 116.42 119.59 1iru h ASP 113 Ca -0.01 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 1iru h ASP 113 Cb 0.99 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.36 1iru h ASP 113 CO 0.08 0.74 -0.30 0.03 -1.72 0.00 0.00 179.24 178.06 1iru h ARG 114 N 0.69 -0.82 -1.00 3.56 2.47 -0.94 -1.85 114.38 116.49 1iru h ARG 114 Ca 0.14 0.06 0.08 0.00 -1.26 0.00 0.00 59.98 59.00 1iru h ARG 114 Cb 0.38 0.19 -0.07 0.00 -1.65 0.00 0.00 29.97 28.81 1iru h ARG 114 CO 0.01 -0.51 0.64 0.28 0.56 0.00 0.00 179.97 180.96 1iru h VAL 115 N -1.14 1.04 -1.00 2.04 2.07 -1.37 -1.61 116.25 116.28 1iru h VAL 115 Ca -0.09 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1iru h VAL 115 Cb 0.69 -0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 1iru h VAL 115 CO 0.14 0.20 0.65 0.00 0.02 0.00 0.00 177.57 178.59 1iru h ALA 116 N 1.48 1.36 0.00 1.67 0.00 -1.12 0.20 119.26 122.86 1iru h ALA 116 Ca 0.45 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 1iru h ALA 116 Cb 0.26 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1iru h ALA 116 CO -0.20 0.52 -0.34 0.52 0.00 0.00 0.00 179.25 179.76 1iru h MET 117 N 1.24 0.00 -0.13 0.00 2.07 -0.43 0.40 114.93 118.08 1iru h MET 117 Ca 0.41 0.00 -0.16 0.00 -2.07 0.00 0.00 59.70 57.88 1iru h MET 117 Cb 0.05 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 29.78 1iru h MET 117 CO -0.14 0.34 -0.53 -0.92 1.07 0.00 0.00 176.91 176.73 1iru h TYR 118 N 0.00 0.79 -0.02 -0.22 3.20 -0.73 -1.74 116.97 118.25 1iru h TYR 118 Ca -0.00 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.53 1iru h TYR 118 Cb 0.73 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 1iru h TYR 118 CO 0.00 1.12 0.01 0.28 -1.64 0.00 0.00 178.16 177.93 1iru h VAL 119 N 0.24 1.00 -0.74 1.81 2.07 -0.56 -2.71 116.25 117.35 1iru h VAL 119 Ca -0.03 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1iru h VAL 119 Cb 1.17 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 1iru h VAL 119 CO 0.11 0.00 0.49 -0.74 0.02 0.00 0.00 177.57 177.45 1iru h HIS 120 N 0.02 0.74 -0.60 1.57 -0.00 -0.89 -0.98 115.15 115.01 1iru h HIS 120 Ca 0.01 0.02 0.16 0.00 -0.00 0.00 0.00 60.37 60.56 1iru h HIS 120 Cb 0.00 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.14 1iru h HIS 120 CO -0.08 0.37 0.43 0.00 -0.00 0.00 0.00 177.93 178.64 1iru h ALA 121 N 1.61 2.46 -0.19 5.26 0.00 -0.97 0.23 119.26 127.66 1iru h ALA 121 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1iru h ALA 121 Cb 0.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1iru h ALA 121 CO -0.12 -0.63 0.00 0.66 0.00 0.00 0.00 179.25 179.16 1iru n TYR 122 N -4.39 0.55 -1.18 0.00 4.02 -0.37 -3.71 117.16 112.08 1iru n TYR 122 Ca 0.11 -0.20 0.07 0.00 -0.01 0.00 0.00 57.90 57.87 1iru n TYR 122 Cb 0.62 -0.16 0.10 0.00 -0.02 0.00 0.00 39.34 39.88 1iru n TYR 122 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1iru n THR 123 N 0.19 1.45 0.09 -0.72 -2.24 0.07 -2.55 114.28 110.56 1iru n THR 123 Ca 0.08 -1.73 0.03 0.00 -2.27 0.00 0.00 64.05 60.16 1iru n THR 123 Cb 0.44 -0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 1iru n THR 123 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1iru n LEU 124 N -1.09 0.09 -4.44 3.22 4.77 -1.24 -4.72 117.00 113.58 1iru n LEU 124 Ca 0.12 -0.16 -0.22 0.00 -0.03 0.00 0.00 56.01 55.72 1iru n LEU 124 Cb 0.63 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.61 1iru n LEU 124 CO 0.01 0.02 -0.35 -0.31 -1.33 0.00 0.00 177.39 175.43 1iru s TYR 125 N -2.12 1.98 -0.38 -1.77 1.51 -1.26 -4.05 117.35 111.26 1iru s TYR 125 Ca -0.01 -0.74 0.23 0.00 -1.01 0.00 0.00 57.07 55.55 1iru s TYR 125 Cb 0.04 -1.17 0.16 0.00 -0.11 0.00 0.00 41.96 40.87 1iru s TYR 125 CO 0.24 0.25 1.22 0.66 -1.11 0.00 0.00 175.55 176.81 1iru h SER 126 N 2.23 0.00 0.55 2.29 4.64 -1.93 -3.31 113.55 118.01 1iru h SER 126 Ca -0.40 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1iru h SER 126 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1iru h SER 126 CO 0.68 0.03 -0.01 0.00 -0.87 0.00 0.00 176.83 176.66 1iru h ALA 127 N 2.14 1.02 -2.70 5.18 0.00 -2.00 -3.45 119.26 119.45 1iru h ALA 127 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1iru h ALA 127 Cb 0.93 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 1iru h ALA 127 CO 0.00 0.01 -0.35 0.14 0.00 0.00 0.00 179.25 179.06 1iru s VAL 128 N -3.91 0.02 0.04 0.00 -7.23 -1.25 -5.17 120.40 102.90 1iru s VAL 128 Ca -0.02 -1.62 0.08 0.00 -1.81 0.00 0.00 61.98 58.62 1iru s VAL 128 Cb 0.11 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 1iru s VAL 128 CO 0.49 -0.08 -0.22 0.00 -0.31 0.00 0.00 175.10 174.98 1iru s ARG 129 N -4.06 1.94 0.54 4.82 1.70 -1.26 -4.71 118.95 117.93 1iru s ARG 129 Ca 0.27 -1.04 -0.20 0.00 -0.47 0.00 0.00 55.73 54.29 1iru s ARG 129 Cb 0.03 -2.08 -0.07 0.00 -0.57 0.00 0.00 34.95 32.26 1iru s ARG 129 CO 0.08 0.53 0.96 -2.30 -1.08 0.00 0.00 175.30 173.48 1iru n PRO 130 N 1.70 1.04 -2.13 3.89 -0.02 -1.06 -4.93 135.00 133.49 1iru n PRO 130 Ca -0.17 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.29 1iru n PRO 130 Cb 0.52 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 1iru n PRO 130 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1iru s PHE 131 N -1.46 3.16 -1.20 6.00 0.40 -1.26 -4.91 117.98 118.71 1iru s PHE 131 Ca 0.71 1.15 -0.05 0.00 -0.60 0.00 0.00 56.93 58.15 1iru s PHE 131 Cb -0.46 -3.69 0.21 0.00 0.51 0.00 0.00 43.02 39.59 1iru s PHE 131 CO 0.51 -2.19 2.03 0.41 0.70 0.00 0.00 175.22 176.67 1iru n GLY 132 N 2.24 5.41 3.45 4.36 0.00 -1.26 -4.50 105.19 114.88 1iru n GLY 132 Ca 0.06 -2.29 -0.11 0.00 0.00 0.00 0.00 46.02 43.68 1iru n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru s SER 134 N -2.62 1.13 0.13 0.00 0.01 -0.65 -3.06 113.70 108.65 1iru s SER 134 Ca 0.02 -0.69 -0.18 0.00 1.31 0.00 0.00 55.95 56.41 1iru s SER 134 Cb -0.01 0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.29 1iru s SER 134 CO -0.11 -0.24 0.45 0.72 0.41 0.00 0.00 173.24 174.47 1iru s PHE 135 N -1.97 -0.29 0.10 2.43 -0.12 -0.86 -1.25 117.98 116.03 1iru s PHE 135 Ca -0.02 -0.00 0.10 0.00 -0.05 0.00 0.00 56.93 56.96 1iru s PHE 135 Cb -0.06 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 1iru s PHE 135 CO -0.00 -0.74 -0.25 -1.64 -0.05 0.00 0.00 175.22 172.54 1iru s MET 136 N -3.79 1.58 -0.11 1.99 -1.94 0.96 -1.51 119.30 116.48 1iru s MET 136 Ca 0.02 -1.25 0.04 0.00 -1.71 0.00 0.00 55.69 52.79 1iru s MET 136 Cb 0.01 -1.97 0.00 0.00 2.01 0.00 0.00 34.83 34.89 1iru s MET 136 CO -0.12 0.47 -0.23 -0.51 -0.01 0.00 0.00 175.02 174.62 1iru s LEU 137 N -1.86 2.09 -0.02 -0.03 1.43 0.18 -1.14 118.68 119.34 1iru s LEU 137 Ca 0.14 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.72 1iru s LEU 137 Cb -0.10 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 1iru s LEU 137 CO 0.06 0.14 -0.15 -0.83 0.23 0.00 0.00 176.35 175.80 1iru s GLY 138 N 0.43 0.76 0.18 -3.19 0.00 -0.09 -1.08 107.32 104.34 1iru s GLY 138 Ca -0.17 -0.64 -0.16 0.00 0.00 0.00 0.00 44.72 43.75 1iru s GLY 138 CO 0.07 -0.49 0.46 -1.35 0.00 0.00 0.00 173.10 171.79 1iru s SER 139 N -0.26 -0.20 -0.06 1.64 1.04 -0.73 -0.52 113.70 114.61 1iru s SER 139 Ca 0.04 -0.53 -0.11 0.00 0.48 0.00 0.00 55.95 55.83 1iru s SER 139 Cb -0.07 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.61 1iru s SER 139 CO -0.00 -0.99 0.26 -0.47 0.98 0.00 0.00 173.24 173.01 1iru s TYR 140 N -3.88 -0.20 0.13 5.02 5.04 -1.25 -0.86 117.35 121.34 1iru s TYR 140 Ca 0.10 0.43 -0.24 0.00 -2.44 0.00 0.00 57.07 54.91 1iru s TYR 140 Cb 0.00 0.07 0.08 0.00 0.35 0.00 0.00 41.96 42.46 1iru s TYR 140 CO -0.04 -0.24 0.69 -1.54 -1.34 0.00 0.00 175.55 173.08 1iru s SER 141 N -0.58 -0.49 0.15 4.32 1.04 -0.76 -4.65 113.70 112.72 1iru s SER 141 Ca -0.07 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.35 1iru s SER 141 Cb -0.04 0.55 -0.07 0.00 0.10 0.00 0.00 66.02 66.56 1iru s SER 141 CO 0.02 -0.90 1.33 0.58 0.98 0.00 0.00 173.24 175.25 1iru h VAL 142 N 2.00 1.55 -0.00 5.02 2.07 -2.01 0.54 116.25 125.42 1iru h VAL 142 Ca -0.30 -2.85 0.00 0.00 0.82 0.00 0.00 66.70 64.37 1iru h VAL 142 Cb 1.29 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 1iru h VAL 142 CO 0.35 0.82 -0.06 0.59 0.02 0.00 0.00 177.57 179.29 1iru n ASN 143 N -3.57 0.08 0.00 0.57 5.03 -1.26 -3.98 115.26 112.13 1iru n ASN 143 Ca -0.03 0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.69 1iru n ASN 143 Cb 0.86 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 1iru n ASN 143 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1iru n ASP 144 N -1.44 3.39 0.00 6.41 8.00 -1.22 -5.13 116.55 126.55 1iru n ASP 144 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1iru n ASP 144 Cb 0.32 0.65 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 1iru n ASP 144 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iru n GLY 145 N 1.73 -0.63 3.85 0.44 0.00 0.19 -4.78 105.19 105.99 1iru n GLY 145 Ca 0.00 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 1iru n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru s ALA 146 N -1.11 3.76 -0.01 4.61 0.00 -1.26 -1.84 121.76 125.92 1iru s ALA 146 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 1iru s ALA 146 Cb 0.00 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.89 1iru s ALA 146 CO 0.00 0.52 0.02 -0.65 0.00 0.00 0.00 175.76 175.65 1iru s GLN 147 N -1.00 0.02 -0.11 0.00 -0.21 -0.04 -5.00 119.66 113.32 1iru s GLN 147 Ca 0.20 0.06 -0.00 0.00 0.02 0.00 0.00 55.36 55.63 1iru s GLN 147 Cb -0.15 -0.03 0.02 0.00 1.00 0.00 0.00 33.01 33.86 1iru s GLN 147 CO 0.10 -0.03 -0.07 -1.17 -2.12 0.00 0.00 175.29 172.00 1iru s LEU 148 N 0.18 1.14 0.21 2.90 2.96 -1.26 -1.78 118.68 123.04 1iru s LEU 148 Ca -0.01 -0.28 0.10 0.00 -0.22 0.00 0.00 54.13 53.72 1iru s LEU 148 Cb -0.02 -0.80 -0.05 0.00 0.50 0.00 0.00 46.19 45.82 1iru s LEU 148 CO -0.01 -0.12 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.40 1iru s TYR 149 N 1.69 2.04 -0.04 5.38 1.51 -0.24 0.05 117.35 127.75 1iru s TYR 149 Ca 0.04 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1iru s TYR 149 Cb -0.13 -0.97 0.03 0.00 -0.11 0.00 0.00 41.96 40.79 1iru s TYR 149 CO -0.07 0.48 0.08 1.41 -1.11 0.00 0.00 175.55 176.33 1iru s MET 150 N -3.09 -0.01 0.07 -0.62 1.75 -0.72 -0.64 119.30 116.04 1iru s MET 150 Ca 0.22 0.31 0.08 0.00 -1.25 0.00 0.00 55.69 55.05 1iru s MET 150 Cb -0.05 -0.28 -0.03 0.00 2.84 0.00 0.00 34.83 37.30 1iru s MET 150 CO 0.10 -0.21 -0.21 0.42 -0.65 0.00 0.00 175.02 174.47 1iru s ILE 151 N 1.43 2.63 0.38 10.11 1.09 -0.57 -2.76 121.20 133.52 1iru s ILE 151 Ca -0.05 -1.37 0.04 0.00 -1.10 0.00 0.00 60.65 58.17 1iru s ILE 151 Cb -0.12 -2.13 -0.05 0.00 -1.06 0.00 0.00 42.46 39.09 1iru s ILE 151 CO -0.04 0.25 0.05 1.51 -0.10 0.00 0.00 174.94 176.61 1iru s ASP 152 N -1.66 3.03 0.65 3.58 3.84 -1.12 -2.03 116.67 122.95 1iru s ASP 152 Ca 0.15 -1.46 0.16 0.00 -0.00 0.00 0.00 52.55 51.40 1iru s ASP 152 Cb -0.10 0.02 0.81 0.00 -1.38 0.00 0.00 42.92 42.27 1iru s ASP 152 CO 0.06 -0.66 1.43 -0.65 -0.00 0.00 0.00 175.17 175.36 1iru h PRO 153 N 1.88 0.00 0.00 2.11 0.11 -1.77 0.18 132.00 134.51 1iru h PRO 153 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1iru h PRO 153 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1iru h PRO 153 CO 0.71 0.00 -0.65 0.66 -0.21 0.00 0.00 178.00 178.50 1iru h SER 154 N 0.00 0.00 0.00 -2.05 4.64 -1.90 -3.42 113.55 110.82 1iru h SER 154 Ca 0.09 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1iru h SER 154 Cb 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1iru h SER 154 CO -0.00 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1iru n GLY 155 N 1.20 2.24 3.63 -0.77 0.00 0.62 -4.37 105.19 107.74 1iru n GLY 155 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1iru n GLY 155 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1iru n VAL 156 N -1.08 2.34 -3.98 1.61 0.31 -1.26 -4.63 118.33 111.65 1iru n VAL 156 Ca 0.00 -0.50 -0.14 0.00 -0.01 0.00 0.00 64.34 63.69 1iru n VAL 156 Cb 0.00 -1.23 -0.14 0.00 -0.91 0.00 0.00 33.84 31.56 1iru n VAL 156 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1iru s SER 157 N -0.64 0.26 0.12 4.52 0.15 -1.26 -2.81 113.70 114.03 1iru s SER 157 Ca 0.61 -0.04 -0.14 0.00 0.70 0.00 0.00 55.95 57.09 1iru s SER 157 Cb -0.57 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 63.71 1iru s SER 157 CO 0.58 0.01 0.33 -0.31 1.20 0.00 0.00 173.24 175.05 1iru s TYR 158 N 0.09 -0.08 -0.03 3.44 4.12 -1.11 -4.99 117.35 118.79 1iru s TYR 158 Ca -0.01 -0.28 -0.07 0.00 0.02 0.00 0.00 57.07 56.74 1iru s TYR 158 Cb -0.03 0.15 -0.05 0.00 -1.52 0.00 0.00 41.96 40.52 1iru s TYR 158 CO -0.00 -0.66 0.24 0.20 0.02 0.00 0.00 175.55 175.35 1iru s GLY 159 N -2.83 2.24 0.33 0.71 0.00 -1.26 -1.75 107.32 104.76 1iru s GLY 159 Ca 0.04 -0.58 0.03 0.00 0.00 0.00 0.00 44.72 44.21 1iru s GLY 159 CO -0.11 -0.36 0.13 -0.19 0.00 0.00 0.00 173.10 172.56 1iru s TYR 160 N -1.20 1.70 -0.12 1.90 1.51 0.11 -4.98 117.35 116.26 1iru s TYR 160 Ca 0.23 -1.26 0.09 0.00 -1.01 0.00 0.00 57.07 55.12 1iru s TYR 160 Cb -0.13 -1.01 -0.13 0.00 -0.11 0.00 0.00 41.96 40.58 1iru s TYR 160 CO 0.13 -0.36 0.01 0.91 -1.11 0.00 0.00 175.55 175.12 1iru n TRP 161 N -0.67 0.00 -3.57 2.71 7.02 -1.26 -4.23 117.44 117.43 1iru n TRP 161 Ca -0.01 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.30 1iru n TRP 161 Cb 0.65 -0.57 -0.07 0.00 -2.42 0.00 0.00 31.31 28.91 1iru n TRP 161 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1iru s GLY 162 N -4.61 -0.50 -0.07 6.99 0.00 -1.26 0.16 107.32 108.03 1iru s GLY 162 Ca -0.08 1.23 -0.29 0.00 0.00 0.00 0.00 44.72 45.57 1iru s GLY 162 CO 0.45 0.90 0.90 0.00 0.00 0.00 0.00 173.10 175.35 1iru s ALA 164 N -2.11 -0.10 0.01 0.00 0.00 -1.26 -0.12 121.76 118.18 1iru s ALA 164 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1iru s ALA 164 Cb -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 1iru s ALA 164 CO -0.03 -0.16 -0.07 0.96 0.00 0.00 0.00 175.76 176.47 1iru s ILE 165 N -1.16 0.50 -0.10 0.00 -4.36 -0.66 -4.75 121.20 110.67 1iru s ILE 165 Ca -0.13 -0.47 0.00 0.00 -0.26 0.00 0.00 60.65 59.79 1iru s ILE 165 Cb -0.07 -0.46 0.00 0.00 1.25 0.00 0.00 42.46 43.17 1iru s ILE 165 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.80 1iru n GLY 166 N 2.55 0.28 0.29 6.27 0.00 -1.26 -1.27 105.19 112.05 1iru n GLY 166 Ca -0.15 -2.30 0.06 0.00 0.00 0.00 0.00 46.02 43.62 1iru n GLY 166 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iru n LYS 167 N 0.00 -0.07 -2.94 1.61 5.02 0.23 -2.02 118.16 120.00 1iru n LYS 167 Ca 0.00 1.27 -0.28 0.00 -2.02 0.00 0.00 58.31 57.28 1iru n LYS 167 Cb 0.00 -1.91 -0.04 0.00 -0.02 0.00 0.00 35.03 33.07 1iru n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iru n ALA 168 N -3.66 4.76 0.25 7.82 0.00 -1.26 -4.84 120.51 123.58 1iru n ALA 168 Ca 0.14 -4.71 -0.16 0.00 0.00 0.00 0.00 53.44 48.71 1iru n ALA 168 Cb 0.43 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 1iru n ALA 168 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1iru h ARG 169 N 3.12 -0.56 0.91 0.00 2.43 -1.70 -2.25 114.38 116.32 1iru h ARG 169 Ca 0.16 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 1iru h ARG 169 Cb 0.49 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1iru h ARG 169 CO 0.85 -0.38 -0.48 0.37 -1.51 0.00 0.00 179.97 178.82 1iru h GLN 170 N -0.59 -1.23 -0.95 0.20 5.75 -1.88 -2.76 115.11 113.66 1iru h GLN 170 Ca -0.06 0.08 0.22 0.00 -0.15 0.00 0.00 58.65 58.74 1iru h GLN 170 Cb 0.46 0.28 -0.08 0.00 1.07 0.00 0.00 27.48 29.21 1iru h GLN 170 CO 0.09 -0.82 0.62 0.00 -2.65 0.00 0.00 178.83 176.07 1iru h ALA 171 N -1.22 2.15 -0.19 3.38 0.00 -1.94 -0.93 119.26 120.51 1iru h ALA 171 Ca -0.12 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1iru h ALA 171 Cb 0.99 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1iru h ALA 171 CO 0.17 -0.47 -0.49 0.00 0.00 0.00 0.00 179.25 178.47 1iru h ALA 172 N 1.61 0.80 0.16 0.00 0.00 -1.29 -3.24 119.26 117.31 1iru h ALA 172 Ca 0.51 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1iru h ALA 172 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1iru h ALA 172 CO -0.23 0.67 -0.08 0.87 0.00 0.00 0.00 179.25 180.48 1iru h LYS 173 N 0.41 -0.21 -0.29 0.00 1.57 -0.88 -1.98 116.57 115.19 1iru h LYS 173 Ca 0.02 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1iru h LYS 173 Cb 1.00 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1iru h LYS 173 CO 0.09 0.11 0.47 1.79 -0.57 0.00 0.00 179.45 181.34 1iru h THR 174 N -0.55 0.21 0.00 -0.16 1.35 -1.57 0.40 112.91 112.59 1iru h THR 174 Ca -0.02 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.64 1iru h THR 174 Cb 0.42 0.59 -0.03 0.00 -1.73 0.00 0.00 68.15 67.40 1iru h THR 174 CO 0.04 0.00 -1.32 -0.33 -0.25 0.00 0.00 175.52 173.66 1iru h GLU 175 N 0.00 0.00 -0.03 4.72 4.39 -1.52 -3.36 114.58 118.78 1iru h GLU 175 Ca 0.14 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.62 1iru h GLU 175 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1iru h GLU 175 CO -0.00 0.46 -0.89 0.82 -1.16 0.00 0.00 179.01 178.24 1iru h ILE 176 N 0.00 1.37 0.00 3.13 2.04 0.52 -3.11 117.51 121.46 1iru h ILE 176 Ca -0.16 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.40 1iru h ILE 176 Cb 1.70 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 40.07 1iru h ILE 176 CO 0.07 0.70 0.00 -0.33 0.00 0.00 0.00 178.15 178.58 1iru h GLU 177 N 0.30 0.00 0.00 2.37 5.08 -1.41 -0.73 114.58 120.18 1iru h GLU 177 Ca -0.07 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1iru h GLU 177 Cb 1.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1iru h GLU 177 CO 0.16 0.00 -0.27 0.87 -1.00 0.00 0.00 179.01 178.77 1iru h LYS 178 N 0.00 0.00 -6.61 2.33 1.57 -1.70 -3.44 116.57 108.72 1iru h LYS 178 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1iru h LYS 178 Cb 0.02 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.33 1iru h LYS 178 CO 0.00 0.27 -0.08 -0.51 -0.57 0.00 0.00 179.45 178.56 1iru s LEU 179 N -6.64 3.94 -0.67 2.94 1.43 -0.28 -5.02 118.68 114.39 1iru s LEU 179 Ca 0.02 0.72 0.04 0.00 -1.03 0.00 0.00 54.13 53.88 1iru s LEU 179 Cb 0.09 -3.58 0.30 0.00 0.03 0.00 0.00 46.19 43.04 1iru s LEU 179 CO 0.67 -0.31 0.98 0.00 0.23 0.00 0.00 176.35 177.91 1iru n GLN 180 N -1.46 3.24 -0.32 1.70 1.13 -1.26 -4.92 117.38 115.49 1iru n GLN 180 Ca -0.02 -4.77 0.17 0.00 -1.94 0.00 0.00 57.00 50.45 1iru n GLN 180 Cb 0.55 -2.28 0.36 0.00 0.11 0.00 0.00 30.24 28.98 1iru n GLN 180 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1iru h MET 181 N 3.65 0.29 -1.52 -1.09 -0.00 -1.90 -1.47 114.93 112.90 1iru h MET 181 Ca 0.19 -0.02 0.44 0.00 -0.00 0.00 0.00 59.70 60.32 1iru h MET 181 Cb 0.55 -0.07 -0.07 0.00 -0.00 0.00 0.00 31.60 32.01 1iru h MET 181 CO 0.89 0.19 1.08 0.87 -0.00 0.00 0.00 176.91 179.94 1iru h LYS 182 N 0.30 0.03 0.00 -0.10 1.57 -1.87 0.57 116.57 117.07 1iru h LYS 182 Ca 0.62 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 1iru h LYS 182 Cb 1.31 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1iru h LYS 182 CO -0.61 0.02 -0.86 0.39 -0.57 0.00 0.00 179.45 177.83 1iru n GLU 183 N -4.16 2.04 -2.66 3.15 -0.58 -0.57 -4.46 120.64 113.40 1iru n GLU 183 Ca 0.35 -0.03 -0.33 0.00 -0.42 0.00 0.00 57.16 56.73 1iru n GLU 183 Cb 1.56 -1.19 -0.05 0.00 -0.57 0.00 0.00 31.44 31.19 1iru n GLU 183 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1iru s MET 184 N -2.44 4.04 0.19 3.49 -1.94 0.20 -4.83 119.30 118.01 1iru s MET 184 Ca 0.03 1.17 -0.03 0.00 -1.71 0.00 0.00 55.69 55.15 1iru s MET 184 Cb 0.10 -2.15 -0.05 0.00 2.01 0.00 0.00 34.83 34.75 1iru s MET 184 CO 0.57 -0.20 0.41 0.95 -0.01 0.00 0.00 175.02 176.74 1iru s THR 185 N -2.19 5.15 0.19 2.05 -4.23 -1.26 0.36 115.64 115.71 1iru s THR 185 Ca 0.63 -0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.91 1iru s THR 185 Cb -0.11 -3.68 0.11 0.00 1.34 0.00 0.00 72.50 70.15 1iru s THR 185 CO 0.18 -0.10 1.85 0.00 -0.54 0.00 0.00 174.62 176.01 1iru h ARG 187 N 0.84 0.00 0.00 0.00 9.65 -1.97 -0.51 114.38 122.39 1iru h ARG 187 Ca 0.24 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.89 1iru h ARG 187 Cb -0.08 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.46 1iru h ARG 187 CO -0.06 0.00 -1.65 -0.25 2.80 0.00 0.00 179.97 180.81 1iru n ASP 188 N -3.88 0.72 0.02 -3.80 8.00 -0.89 -4.24 116.55 112.48 1iru n ASP 188 Ca 0.07 0.33 -0.03 0.00 0.71 0.00 0.00 54.79 55.87 1iru n ASP 188 Cb 0.58 0.26 0.22 0.00 -0.02 0.00 0.00 41.12 42.16 1iru n ASP 188 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1iru h ILE 189 N 0.00 1.26 -0.62 0.53 1.08 -0.61 -3.05 117.51 116.10 1iru h ILE 189 Ca -0.24 -1.22 0.11 0.00 -0.39 0.00 0.00 64.86 63.11 1iru h ILE 189 Cb 1.78 1.32 -0.12 0.00 -3.07 0.00 0.00 36.82 36.74 1iru h ILE 189 CO 0.05 0.39 -0.34 0.58 -0.69 0.00 0.00 178.15 178.14 1iru h VAL 190 N 0.42 0.16 -0.31 1.67 2.07 -1.66 0.34 116.25 118.93 1iru h VAL 190 Ca 0.06 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.65 1iru h VAL 190 Cb 0.64 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 1iru h VAL 190 CO 0.05 0.00 -0.36 0.11 0.02 0.00 0.00 177.57 177.38 1iru h LYS 191 N -0.15 -0.32 0.00 1.57 1.57 -1.78 -0.93 116.57 116.52 1iru h LYS 191 Ca 0.24 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1iru h LYS 191 Cb 0.55 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1iru h LYS 191 CO -0.70 -0.21 -0.07 0.93 -0.57 0.00 0.00 179.45 178.83 1iru h GLU 192 N -0.33 0.00 0.05 3.15 4.39 -1.05 0.11 114.58 120.90 1iru h GLU 192 Ca 0.14 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 1iru h GLU 192 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1iru h GLU 192 CO -0.49 0.07 -0.02 0.28 -1.16 0.00 0.00 179.01 177.68 1iru h VAL 193 N 0.00 1.24 0.00 3.13 2.07 0.85 -0.88 116.25 122.65 1iru h VAL 193 Ca -0.00 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.52 1iru h VAL 193 Cb 0.13 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1iru h VAL 193 CO 0.01 0.24 -0.12 0.00 0.02 0.00 0.00 177.57 177.72 1iru h ALA 194 N 0.42 1.64 0.57 1.67 0.00 -0.81 -1.87 119.26 120.88 1iru h ALA 194 Ca -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1iru h ALA 194 Cb 0.45 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1iru h ALA 194 CO 0.01 0.15 -0.27 -0.22 0.00 0.00 0.00 179.25 178.92 1iru h LYS 195 N 0.00 -0.74 -0.22 0.00 3.64 -0.52 -2.63 116.57 116.10 1iru h LYS 195 Ca -0.00 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1iru h LYS 195 Cb 0.23 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1iru h LYS 195 CO 0.02 -0.45 0.25 0.82 -2.27 0.00 0.00 179.45 177.81 1iru h ILE 196 N -1.13 0.43 0.18 2.00 2.04 -0.93 -2.08 117.51 118.02 1iru h ILE 196 Ca -0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1iru h ILE 196 Cb 0.63 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1iru h ILE 196 CO 0.13 0.00 -0.09 0.40 0.00 0.00 0.00 178.15 178.59 1iru h ILE 197 N 0.00 0.90 -0.88 -0.67 1.08 -1.18 -2.73 117.51 114.03 1iru h ILE 197 Ca 0.10 -0.93 -0.00 0.00 -0.39 0.00 0.00 64.86 63.64 1iru h ILE 197 Cb 0.60 1.41 -0.04 0.00 -3.07 0.00 0.00 36.82 35.71 1iru h ILE 197 CO -0.00 0.19 0.55 1.88 -0.69 0.00 0.00 178.15 180.09 1iru h TYR 198 N -0.75 1.15 0.33 1.37 -1.99 -1.03 0.14 116.97 116.19 1iru h TYR 198 Ca -0.03 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 1iru h TYR 198 Cb 0.51 -0.38 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 1iru h TYR 198 CO 0.06 0.75 -0.33 0.82 -0.00 0.00 0.00 178.16 179.46 1iru h ILE 199 N 1.21 0.00 -0.83 -2.88 2.04 -1.44 -3.09 117.51 112.53 1iru h ILE 199 Ca 0.32 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.24 1iru h ILE 199 Cb -0.08 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 35.95 1iru h ILE 199 CO -0.06 0.00 0.54 0.58 0.00 0.00 0.00 178.15 179.21 1iru h VAL 200 N -0.66 1.06 -2.74 1.67 2.07 -1.30 -3.44 116.25 112.92 1iru h VAL 200 Ca -0.04 -0.32 -0.55 0.00 0.82 0.00 0.00 66.70 66.60 1iru h VAL 200 Cb 0.57 0.05 0.07 0.00 -1.52 0.00 0.00 31.29 30.46 1iru h VAL 200 CO -0.04 0.17 0.83 1.57 0.02 0.00 0.00 177.57 180.12 1iru n HIS 201 N -4.48 2.53 -2.77 1.57 -0.00 0.48 -4.91 115.22 107.64 1iru n HIS 201 Ca 0.12 0.25 -0.42 0.00 -0.00 0.00 0.00 57.72 57.66 1iru n HIS 201 Cb 0.19 -2.57 -0.04 0.00 -0.00 0.00 0.00 29.99 27.58 1iru n HIS 201 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1iru s ASP 202 N 0.71 6.19 0.36 0.26 -1.08 -1.26 -4.89 116.67 116.97 1iru s ASP 202 Ca 0.71 -0.76 0.10 0.00 -0.52 0.00 0.00 52.55 52.08 1iru s ASP 202 Cb -0.58 -2.46 0.86 0.00 -1.46 0.00 0.00 42.92 39.28 1iru s ASP 202 CO 0.42 -1.53 1.87 1.05 0.52 0.00 0.00 175.17 177.50 1iru h GLU 203 N 9.66 0.63 0.00 4.34 -0.00 -1.91 -3.23 114.58 124.07 1iru h GLU 203 Ca -0.28 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.04 1iru h GLU 203 Cb 1.06 -0.14 0.00 0.00 -0.00 0.00 0.00 28.75 29.67 1iru h GLU 203 CO 1.20 0.42 0.00 0.28 -0.00 0.00 0.00 179.01 180.90 1iru n VAL 204 N -4.56 0.00 0.00 -1.06 0.31 -1.26 -4.66 118.33 107.09 1iru n VAL 204 Ca 0.18 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1iru n VAL 204 Cb 0.50 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 1iru n VAL 204 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1iru n LYS 205 N 0.00 0.00 -1.99 5.55 4.01 -1.26 -4.28 118.16 120.19 1iru n LYS 205 Ca 0.00 0.61 -0.42 0.00 -0.51 0.00 0.00 58.31 57.99 1iru n LYS 205 Cb 0.00 -1.04 -0.03 0.00 -0.51 0.00 0.00 35.03 33.46 1iru n LYS 205 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1iru s ASP 206 N -2.75 6.66 0.00 4.39 1.11 -1.22 -4.99 116.67 119.87 1iru s ASP 206 Ca 0.00 2.28 0.00 0.00 0.18 0.00 0.00 52.55 55.01 1iru s ASP 206 Cb 0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.45 1iru s ASP 206 CO 0.00 -0.92 0.00 2.29 1.18 0.00 0.00 175.17 177.72 1iru n LYS 207 N 6.92 3.04 -0.89 8.23 0.00 -1.26 -4.54 118.16 129.66 1iru n LYS 207 Ca 0.17 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.18 1iru n LYS 207 Cb 0.42 0.00 0.17 0.00 -0.00 0.00 0.00 35.03 35.63 1iru n LYS 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iru s ALA 208 N -2.40 1.06 0.27 0.58 0.00 -1.26 -4.92 121.76 115.09 1iru s ALA 208 Ca 0.00 0.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.94 1iru s ALA 208 Cb 0.00 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.84 1iru s ALA 208 CO 0.00 -2.81 0.62 -0.59 0.00 0.00 0.00 175.76 172.98 1iru s PHE 209 N -2.72 0.07 0.19 0.00 -0.12 -1.26 -2.39 117.98 111.75 1iru s PHE 209 Ca 0.65 -0.50 0.10 0.00 -0.05 0.00 0.00 56.93 57.14 1iru s PHE 209 Cb -0.21 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 1iru s PHE 209 CO 0.59 -1.16 -0.21 -2.00 -0.05 0.00 0.00 175.22 172.39 1iru s GLU 210 N -3.86 1.43 -0.14 1.99 2.12 -0.41 -4.87 118.70 114.96 1iru s GLU 210 Ca 0.16 -1.50 -0.01 0.00 0.36 0.00 0.00 54.97 53.99 1iru s GLU 210 Cb -0.04 -1.63 -0.02 0.00 0.26 0.00 0.00 34.13 32.71 1iru s GLU 210 CO 0.08 0.34 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.86 1iru s LEU 211 N -2.73 2.79 -0.15 2.70 2.96 -1.26 -1.73 118.68 121.26 1iru s LEU 211 Ca 0.19 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1iru s LEU 211 Cb -0.07 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 1iru s LEU 211 CO 0.09 0.15 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.56 1iru s GLU 212 N 0.44 3.41 -0.05 1.98 2.02 -0.99 -4.97 118.70 120.55 1iru s GLU 212 Ca -0.09 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 54.28 1iru s GLU 212 Cb -0.16 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.34 1iru s GLU 212 CO 0.04 0.14 -0.15 -0.51 0.02 0.00 0.00 175.26 174.80 1iru s LEU 213 N 0.57 1.83 0.06 1.80 1.43 -1.26 -1.09 118.68 122.03 1iru s LEU 213 Ca -0.07 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 1iru s LEU 213 Cb -0.15 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 1iru s LEU 213 CO 0.03 0.11 -0.05 -0.44 0.23 0.00 0.00 176.35 176.23 1iru s SER 214 N 0.27 4.74 -0.01 2.29 0.01 0.10 -2.14 113.70 118.96 1iru s SER 214 Ca -0.08 -0.20 0.06 0.00 1.31 0.00 0.00 55.95 57.04 1iru s SER 214 Cb -0.13 -1.08 -0.03 0.00 0.21 0.00 0.00 66.02 65.00 1iru s SER 214 CO 0.03 0.22 -0.20 0.26 0.41 0.00 0.00 173.24 173.97 1iru s TRP 215 N -1.16 2.53 0.00 2.43 0.23 0.25 -2.51 118.94 120.71 1iru s TRP 215 Ca 0.21 -0.28 0.00 0.00 -2.03 0.00 0.00 56.10 54.00 1iru s TRP 215 Cb -0.11 -1.52 0.00 0.00 0.03 0.00 0.00 33.47 31.86 1iru s TRP 215 CO 0.13 0.14 0.00 1.55 0.96 0.00 0.00 176.95 179.73 1iru n VAL 216 N 2.07 0.00 -3.57 4.03 3.14 -1.23 -0.51 118.33 122.25 1iru n VAL 216 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1iru n VAL 216 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 1iru n VAL 216 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1iru n GLY 217 N 0.00 -1.26 0.32 7.55 0.00 -1.26 -0.43 105.19 110.11 1iru n GLY 217 Ca 0.00 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.13 1iru n GLY 217 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1iru h GLU 218 N 0.00 0.00 0.00 1.61 4.81 -1.02 0.44 114.58 120.42 1iru h GLU 218 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1iru h GLU 218 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1iru h GLU 218 CO 0.00 0.00 -0.12 1.25 -0.73 0.00 0.00 179.01 179.41 1iru h LEU 219 N 0.00 0.00 -0.81 1.64 5.85 -1.93 -2.85 115.31 117.22 1iru h LEU 219 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1iru h LEU 219 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1iru h LEU 219 CO -0.00 0.12 -0.38 0.35 -0.34 0.00 0.00 178.44 178.19 1iru n THR 220 N -3.36 0.00 -1.93 1.05 -2.24 0.06 -4.98 114.28 102.88 1iru n THR 220 Ca -0.01 -0.31 -0.04 0.00 -2.27 0.00 0.00 64.05 61.42 1iru n THR 220 Cb 0.32 1.18 -0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1iru n THR 220 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1iru n ASN 221 N -0.23 -2.21 0.00 3.42 3.02 -0.67 -3.29 115.26 115.29 1iru n ASN 221 Ca 0.06 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1iru n ASN 221 Cb 0.34 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 1iru n ASN 221 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iru n GLY 222 N -1.24 3.12 3.69 7.41 0.00 -0.93 -5.01 105.19 112.22 1iru n GLY 222 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1iru n GLY 222 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iru s ARG 223 N -0.42 4.38 -0.23 1.61 3.03 -1.21 -4.37 118.95 121.74 1iru s ARG 223 Ca 0.00 0.98 -0.29 0.00 2.03 0.00 0.00 55.73 58.45 1iru s ARG 223 Cb 0.00 -3.51 -0.01 0.00 -1.03 0.00 0.00 34.95 30.40 1iru s ARG 223 CO 0.00 -0.13 1.38 -1.58 -1.13 0.00 0.00 175.30 173.83 1iru s HIS 224 N 1.47 2.57 0.32 5.89 2.46 -0.50 -4.50 115.29 122.99 1iru s HIS 224 Ca 0.39 0.80 0.04 0.00 0.47 0.00 0.00 55.06 56.76 1iru s HIS 224 Cb -0.17 -3.81 -0.06 0.00 -0.13 0.00 0.00 32.58 28.40 1iru s HIS 224 CO 0.16 -2.08 0.04 -1.21 -2.47 0.00 0.00 174.74 169.18 1iru s GLU 225 N 4.08 1.63 0.52 2.88 2.02 0.33 -4.94 118.70 125.22 1iru s GLU 225 Ca 0.60 -1.89 -0.17 0.00 0.02 0.00 0.00 54.97 53.53 1iru s GLU 225 Cb -0.21 -0.91 -0.08 0.00 0.10 0.00 0.00 34.13 33.04 1iru s GLU 225 CO 0.22 -0.15 1.00 -1.50 0.02 0.00 0.00 175.26 174.85 1iru s ILE 226 N -3.25 4.37 0.06 -1.63 2.07 -1.26 0.88 121.20 122.44 1iru s ILE 226 Ca 0.35 1.18 -0.30 0.00 -1.41 0.00 0.00 60.65 60.47 1iru s ILE 226 Cb 0.08 -3.64 -0.05 0.00 0.13 0.00 0.00 42.46 38.98 1iru s ILE 226 CO 0.15 -0.60 1.16 -0.69 -1.91 0.00 0.00 174.94 173.05 1iru s VAL 227 N -2.52 4.14 0.18 4.00 1.01 -0.91 -4.64 120.40 121.67 1iru s VAL 227 Ca 0.60 1.56 -0.33 0.00 0.00 0.00 0.00 61.98 63.82 1iru s VAL 227 Cb -0.11 -4.00 -0.14 0.00 0.00 0.00 0.00 36.38 32.13 1iru s VAL 227 CO 0.30 0.13 1.45 -2.65 0.00 0.00 0.00 175.10 174.33 1iru n PRO 228 N 3.78 1.90 -0.32 2.72 -0.02 -1.26 -4.71 135.00 137.09 1iru n PRO 228 Ca 0.08 0.68 0.27 0.00 -2.02 0.00 0.00 63.50 62.52 1iru n PRO 228 Cb 0.47 -2.37 0.51 0.00 -0.02 0.00 0.00 33.50 32.09 1iru n PRO 228 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1iru n LYS 229 N 2.64 -0.06 -0.02 -0.52 4.81 -1.26 0.02 118.16 123.76 1iru n LYS 229 Ca 0.15 1.38 -0.09 0.00 -0.87 0.00 0.00 58.31 58.88 1iru n LYS 229 Cb 0.28 -2.41 -0.03 0.00 0.02 0.00 0.00 35.03 32.89 1iru n LYS 229 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1iru h ASP 230 N 0.00 -0.28 -0.63 3.14 3.32 -2.00 -0.05 116.42 119.92 1iru h ASP 230 Ca 0.78 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.80 1iru h ASP 230 Cb 1.98 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 41.66 1iru h ASP 230 CO -0.80 -0.11 0.04 0.40 -1.72 0.00 0.00 179.24 177.05 1iru h ILE 231 N -0.07 1.26 0.31 0.35 1.08 -0.76 -2.58 117.51 117.12 1iru h ILE 231 Ca 0.09 -1.11 -0.01 0.00 -0.39 0.00 0.00 64.86 63.45 1iru h ILE 231 Cb 0.21 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 1iru h ILE 231 CO -0.21 0.41 -0.24 -0.09 -0.69 0.00 0.00 178.15 177.33 1iru h ARG 232 N 1.00 -0.54 -0.10 2.37 2.43 -0.74 0.16 114.38 118.97 1iru h ARG 232 Ca 0.19 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.42 1iru h ARG 232 Cb 0.51 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 1iru h ARG 232 CO 0.02 -0.36 -0.11 0.93 -1.51 0.00 0.00 179.97 178.95 1iru h GLU 233 N -0.56 -0.13 -0.67 0.20 5.08 -1.00 0.45 114.58 117.95 1iru h GLU 233 Ca -0.02 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1iru h GLU 233 Cb 0.48 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 1iru h GLU 233 CO -0.01 -0.08 0.25 1.49 -1.00 0.00 0.00 179.01 179.66 1iru h GLU 234 N -0.13 0.39 0.00 2.33 4.81 -1.30 0.40 114.58 121.08 1iru h GLU 234 Ca 0.08 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1iru h GLU 234 Cb 0.24 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1iru h GLU 234 CO -0.18 0.26 -0.30 0.00 -0.73 0.00 0.00 179.01 178.06 1iru h ALA 235 N 1.49 1.15 -0.00 2.92 0.00 0.19 -0.50 119.26 124.50 1iru h ALA 235 Ca 0.36 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1iru h ALA 235 Cb 0.50 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1iru h ALA 235 CO -0.36 0.38 -0.47 0.93 0.00 0.00 0.00 179.25 179.72 1iru h GLU 236 N 0.00 0.32 0.19 0.00 5.08 0.28 -2.06 114.58 118.39 1iru h GLU 236 Ca -0.00 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1iru h GLU 236 Cb 0.70 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1iru h GLU 236 CO 0.04 1.03 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.75 1iru h LYS 237 N -0.25 -0.27 -0.93 2.33 3.64 -0.17 0.14 116.57 121.04 1iru h LYS 237 Ca -0.06 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.45 1iru h LYS 237 Cb 1.20 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 33.00 1iru h LYS 237 CO 0.09 -0.18 0.56 -0.92 -2.27 0.00 0.00 179.45 176.73 1iru h TYR 238 N -0.29 1.02 -0.28 1.91 3.20 -1.17 0.22 116.97 121.60 1iru h TYR 238 Ca -0.02 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 1iru h TYR 238 Cb 0.24 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1iru h TYR 238 CO -0.08 0.41 -0.07 0.00 -1.64 0.00 0.00 178.16 176.78 1iru h ALA 239 N 1.50 0.38 -0.15 1.82 0.00 -0.82 -0.58 119.26 121.42 1iru h ALA 239 Ca 0.46 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1iru h ALA 239 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1iru h ALA 239 CO -0.26 0.20 0.03 0.87 0.00 0.00 0.00 179.25 180.09 1iru h LYS 240 N 0.29 0.25 -0.38 0.00 1.57 -0.07 -1.92 116.57 116.31 1iru h LYS 240 Ca 0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1iru h LYS 240 Cb 0.55 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1iru h LYS 240 CO 0.03 0.42 0.19 0.93 -0.57 0.00 0.00 179.45 180.45 1iru h GLU 241 N 0.04 0.53 0.00 3.15 5.08 -0.60 -1.35 114.58 121.44 1iru h GLU 241 Ca 0.05 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1iru h GLU 241 Cb 0.29 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1iru h GLU 241 CO 0.00 0.46 -0.01 0.66 -1.00 0.00 0.00 179.01 179.12 1iru h SER 242 N 0.47 0.00 -0.37 1.42 4.64 -1.05 -1.58 113.55 117.09 1iru h SER 242 Ca 0.13 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 1iru h SER 242 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1iru h SER 242 CO -0.02 0.01 -0.39 0.25 -0.87 0.00 0.00 176.83 175.82 1iru h LEU 243 N 0.00 0.98 -5.52 5.97 5.85 -0.42 -3.30 115.31 118.88 1iru h LEU 243 Ca -0.00 -0.47 -0.57 0.00 0.84 0.00 0.00 57.88 57.68 1iru h LEU 243 Cb 0.13 -0.28 0.02 0.00 0.37 0.00 0.00 40.66 40.90 1iru h LEU 243 CO 0.00 1.25 3.08 0.29 -0.34 0.00 0.00 178.44 182.72 1iru n LYS 244 N -4.08 2.67 0.00 1.25 5.02 -0.59 -5.11 118.16 117.32 1iru n LYS 244 Ca -0.03 -1.94 0.00 0.00 -2.02 0.00 0.00 58.31 54.33 1iru n LYS 244 Cb 0.54 -2.76 0.00 0.00 -0.02 0.00 0.00 35.03 32.79 1iru n LYS 244 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27