#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iru s GLU 2 N 0.00 2.80 0.00 0.00 -1.05 -1.26 -5.09 118.70 114.10 1iru s GLU 2 Ca 0.00 -0.58 0.00 0.00 -0.15 0.00 0.00 54.97 54.24 1iru s GLU 2 Cb 0.00 -2.68 0.00 0.00 -0.44 0.00 0.00 34.13 31.01 1iru s GLU 2 CO 0.00 0.64 0.00 0.54 0.95 0.00 0.00 175.26 177.39 1iru n ARG 3 N 1.55 0.00 0.00 -4.83 3.00 -1.26 -5.16 116.66 109.96 1iru n ARG 3 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.69 1iru n ARG 3 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 1iru n ARG 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1iru n GLY 4 N 3.28 4.84 3.59 -0.13 0.00 -1.26 -5.09 105.19 110.42 1iru n GLY 4 Ca 0.00 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1iru n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iru s TYR 5 N -1.09 3.22 -2.34 1.61 4.12 -1.26 -4.94 117.35 116.66 1iru s TYR 5 Ca 0.00 0.47 0.26 0.00 0.02 0.00 0.00 57.07 57.81 1iru s TYR 5 Cb 0.00 -2.87 0.61 0.00 -1.52 0.00 0.00 41.96 38.18 1iru s TYR 5 CO 0.00 -0.43 1.49 0.43 0.02 0.00 0.00 175.55 177.06 1iru n SER 6 N 5.72 1.79 -4.88 2.29 7.64 -1.26 -1.33 113.62 123.59 1iru n SER 6 Ca -0.03 -1.45 -0.33 0.00 1.01 0.00 0.00 58.87 58.06 1iru n SER 6 Cb 0.49 0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 1iru n SER 6 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1iru s PHE 7 N -2.21 3.53 0.34 1.43 -0.12 -1.26 -4.24 117.98 115.45 1iru s PHE 7 Ca 0.29 0.70 -0.27 0.00 -0.05 0.00 0.00 56.93 57.60 1iru s PHE 7 Cb 0.20 -2.10 -0.09 0.00 -0.63 0.00 0.00 43.02 40.39 1iru s PHE 7 CO 0.41 0.47 1.10 -1.54 -0.05 0.00 0.00 175.22 175.61 1iru s SER 8 N -2.06 6.95 0.00 1.98 1.04 -1.26 -1.17 113.70 119.18 1iru s SER 8 Ca 0.37 2.21 0.24 0.00 0.48 0.00 0.00 55.95 59.25 1iru s SER 8 Cb -0.13 -2.61 0.65 0.00 0.10 0.00 0.00 66.02 64.03 1iru s SER 8 CO 0.21 -0.36 1.51 0.18 0.98 0.00 0.00 173.24 175.76 1iru n LEU 9 N 0.56 2.26 -4.20 2.42 4.77 -1.26 -4.79 117.00 116.77 1iru n LEU 9 Ca 0.02 -0.87 -0.32 0.00 -0.03 0.00 0.00 56.01 54.81 1iru n LEU 9 Cb 0.47 -0.09 -0.17 0.00 -2.33 0.00 0.00 43.42 41.30 1iru n LEU 9 CO 0.50 0.43 -0.55 -0.89 -1.33 0.00 0.00 177.39 175.56 1iru s THR 10 N -1.83 2.04 -0.10 -5.08 2.01 -1.26 -4.87 115.64 106.55 1iru s THR 10 Ca 0.34 -0.99 -0.13 0.00 0.31 0.00 0.00 61.69 61.22 1iru s THR 10 Cb 0.20 -1.78 0.03 0.00 0.01 0.00 0.00 72.50 70.97 1iru s THR 10 CO 0.30 0.55 0.35 0.42 -0.69 0.00 0.00 174.62 175.55 1iru s THR 11 N 0.52 0.02 0.29 -0.82 -4.23 -1.26 -4.86 115.64 105.30 1iru s THR 11 Ca -0.15 -0.13 -0.30 0.00 -1.18 0.00 0.00 61.69 59.94 1iru s THR 11 Cb -0.17 -0.54 -0.12 0.00 1.34 0.00 0.00 72.50 73.01 1iru s THR 11 CO 0.05 -0.07 1.49 0.49 -0.54 0.00 0.00 174.62 176.04 1iru n PHE 12 N 2.43 2.59 -2.70 3.99 3.01 -1.26 -4.37 117.46 121.16 1iru n PHE 12 Ca -0.15 0.37 -0.22 0.00 1.01 0.00 0.00 57.45 58.45 1iru n PHE 12 Cb 0.57 -2.52 0.09 0.00 -0.01 0.00 0.00 39.48 37.61 1iru n PHE 12 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1iru s SER 13 N 0.25 4.61 0.45 4.37 1.04 -0.28 -4.94 113.70 119.20 1iru s SER 13 Ca 0.63 -0.44 0.19 0.00 0.48 0.00 0.00 55.95 56.81 1iru s SER 13 Cb -0.55 -0.03 1.07 0.00 0.10 0.00 0.00 66.02 66.61 1iru s SER 13 CO 0.52 -1.67 1.96 -0.65 0.98 0.00 0.00 173.24 174.38 1iru h PRO 14 N -0.30 0.00 0.00 4.02 0.11 -1.95 -0.54 132.00 133.33 1iru h PRO 14 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1iru h PRO 14 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1iru h PRO 14 CO 0.41 0.22 0.00 0.43 -0.21 0.00 0.00 178.00 178.86 1iru n SER 15 N -3.95 0.00 0.00 -2.05 7.64 -1.26 -4.81 113.62 109.19 1iru n SER 15 Ca -0.02 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1iru n SER 15 Cb 0.30 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1iru n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iru n GLY 16 N -0.34 0.80 3.86 0.23 0.00 -0.21 -5.04 105.19 104.49 1iru n GLY 16 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1iru n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iru s LYS 17 N -0.20 3.86 -1.01 1.61 0.00 -1.26 -4.72 119.74 118.02 1iru s LYS 17 Ca 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 55.97 56.48 1iru s LYS 17 Cb 0.00 -2.39 0.27 0.00 0.00 0.00 0.00 37.83 35.71 1iru s LYS 17 CO 0.00 0.02 1.10 1.28 0.00 0.00 0.00 175.35 177.75 1iru n LEU 18 N -0.99 5.28 -0.11 2.77 4.77 -1.26 -1.13 117.00 126.33 1iru n LEU 18 Ca 0.03 -5.15 -0.03 0.00 -0.03 0.00 0.00 56.01 50.83 1iru n LEU 18 Cb 0.54 -1.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.35 1iru n LEU 18 CO 0.45 1.56 0.17 0.52 -1.33 0.00 0.00 177.39 178.77 1iru n VAL 19 N 2.04 -0.18 -0.10 4.08 0.31 -1.26 -0.14 118.33 123.08 1iru n VAL 19 Ca 0.24 0.78 0.20 0.00 -0.01 0.00 0.00 64.34 65.55 1iru n VAL 19 Cb 0.37 -0.98 0.62 0.00 -0.91 0.00 0.00 33.84 32.94 1iru n VAL 19 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1iru h GLN 20 N 0.00 0.16 -0.28 5.55 1.08 -1.89 -1.10 115.11 118.62 1iru h GLN 20 Ca 0.04 -0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.09 1iru h GLN 20 Cb 0.11 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1iru h GLN 20 CO -0.25 0.11 -0.37 0.82 -0.95 0.00 0.00 178.83 178.19 1iru h ILE 21 N 0.17 1.30 0.13 2.54 2.04 -0.96 -0.36 117.51 122.36 1iru h ILE 21 Ca 0.33 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 1iru h ILE 21 Cb 1.08 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1iru h ILE 21 CO -0.05 0.50 -0.06 -0.33 0.00 0.00 0.00 178.15 178.21 1iru h GLU 22 N 0.50 -0.16 -0.40 2.37 4.39 -1.12 -1.11 114.58 119.04 1iru h GLU 22 Ca 0.03 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.80 1iru h GLU 22 Cb 0.96 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1iru h GLU 22 CO 0.09 -0.03 0.27 1.88 -1.16 0.00 0.00 179.01 180.06 1iru h TYR 23 N -0.26 0.32 -0.12 4.33 0.99 -1.24 -0.16 116.97 120.84 1iru h TYR 23 Ca -0.02 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1iru h TYR 23 Cb 0.21 -0.11 -0.00 0.00 1.00 0.00 0.00 36.73 37.83 1iru h TYR 23 CO -0.04 0.18 0.02 0.00 -0.00 0.00 0.00 178.16 178.32 1iru h ALA 24 N 1.78 0.16 -0.54 3.88 0.00 -0.43 -2.22 119.26 121.89 1iru h ALA 24 Ca 0.17 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1iru h ALA 24 Cb 0.28 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1iru h ALA 24 CO -0.04 -0.19 0.37 -0.07 0.00 0.00 0.00 179.25 179.32 1iru h LEU 25 N -0.02 0.35 -1.27 0.00 3.38 0.15 0.22 115.31 118.12 1iru h LEU 25 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1iru h LEU 25 Cb 0.28 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1iru h LEU 25 CO 0.00 0.22 -0.04 0.00 0.09 0.00 0.00 178.44 178.71 1iru h ALA 26 N 1.72 1.40 0.00 1.53 0.00 -0.53 0.29 119.26 123.67 1iru h ALA 26 Ca 0.25 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1iru h ALA 26 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1iru h ALA 26 CO -0.06 0.41 -0.49 0.00 0.00 0.00 0.00 179.25 179.11 1iru h ALA 27 N 1.54 1.19 0.42 0.00 0.00 -0.07 -2.67 119.26 119.66 1iru h ALA 27 Ca 0.09 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1iru h ALA 27 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1iru h ALA 27 CO 0.01 0.61 -0.20 0.28 0.00 0.00 0.00 179.25 179.96 1iru h VAL 28 N 0.00 0.13 0.00 0.00 2.07 -0.49 -3.07 116.25 114.88 1iru h VAL 28 Ca -0.00 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1iru h VAL 28 Cb 0.87 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1iru h VAL 28 CO 0.06 0.03 0.36 0.00 0.02 0.00 0.00 177.57 178.04 1iru h ALA 29 N -1.02 1.30 -0.39 1.67 0.00 -0.50 0.73 119.26 121.03 1iru h ALA 29 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1iru h ALA 29 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1iru h ALA 29 CO 0.09 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.46 1iru n GLY 30 N -1.27 1.75 3.97 0.00 0.00 -1.01 -3.16 105.19 105.47 1iru n GLY 30 Ca -0.01 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 1iru n GLY 30 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iru s GLY 31 N -1.44 1.44 0.16 -0.02 0.00 0.25 -4.79 107.32 102.92 1iru s GLY 31 Ca 0.38 -1.20 -0.33 0.00 0.00 0.00 0.00 44.72 43.56 1iru s GLY 31 CO 0.31 -1.13 1.12 0.00 0.00 0.00 0.00 173.10 173.40 1iru n ALA 32 N -1.71 -1.17 -1.63 3.20 0.00 -1.26 -0.91 120.51 117.02 1iru n ALA 32 Ca -0.03 0.48 -0.35 0.00 0.00 0.00 0.00 53.44 53.54 1iru n ALA 32 Cb 0.57 -1.98 0.04 0.00 0.00 0.00 0.00 19.45 18.09 1iru n ALA 32 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1iru s PRO 33 N -0.35 2.83 -0.00 0.00 0.04 -1.26 -4.59 135.00 131.68 1iru s PRO 33 Ca 0.75 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 63.47 1iru s PRO 33 Cb -0.90 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 31.71 1iru s PRO 33 CO 0.53 -1.28 0.02 -1.12 0.04 0.00 0.00 177.00 175.18 1iru s SER 34 N -1.89 0.06 0.01 6.66 0.01 0.39 -2.39 113.70 116.55 1iru s SER 34 Ca 0.74 -0.15 0.05 0.00 1.31 0.00 0.00 55.95 57.90 1iru s SER 34 Cb -0.27 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 1iru s SER 34 CO 0.36 -0.14 -0.14 0.68 0.41 0.00 0.00 173.24 174.41 1iru s VAL 35 N -0.60 1.12 -0.03 3.43 -7.23 -0.22 -1.39 120.40 115.48 1iru s VAL 35 Ca -0.07 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 1iru s VAL 35 Cb -0.04 -0.96 0.01 0.00 0.56 0.00 0.00 36.38 35.95 1iru s VAL 35 CO -0.00 0.20 -0.04 -0.83 -0.31 0.00 0.00 175.10 174.12 1iru s GLY 36 N -0.64 0.34 -0.07 2.32 0.00 -0.13 -2.15 107.32 106.99 1iru s GLY 36 Ca 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 44.72 44.71 1iru s GLY 36 CO 0.00 0.26 -0.06 -0.42 0.00 0.00 0.00 173.10 172.89 1iru s ILE 37 N 0.59 0.73 -0.67 0.90 1.01 -0.69 -0.58 121.20 122.49 1iru s ILE 37 Ca -0.07 -0.18 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 1iru s ILE 37 Cb -0.10 -0.75 0.12 0.00 0.01 0.00 0.00 42.46 41.73 1iru s ILE 37 CO -0.00 0.29 0.78 -0.75 0.00 0.00 0.00 174.94 175.25 1iru s LYS 38 N 1.22 3.19 0.00 2.79 2.20 0.21 -1.42 119.74 127.93 1iru s LYS 38 Ca -0.06 -1.51 0.00 0.00 -0.36 0.00 0.00 55.97 54.05 1iru s LYS 38 Cb -0.14 -4.37 0.00 0.00 -1.51 0.00 0.00 37.83 31.81 1iru s LYS 38 CO -0.02 -1.55 0.77 0.00 -0.36 0.00 0.00 175.35 174.19 1iru n ALA 39 N 6.11 2.30 -0.21 3.13 0.00 0.26 -4.76 120.51 127.35 1iru n ALA 39 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1iru n ALA 39 Cb 0.44 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1iru n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iru n ALA 40 N 0.55 0.00 -2.12 0.00 0.00 -1.26 -4.04 120.51 113.64 1iru n ALA 40 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1iru n ALA 40 Cb 0.39 -0.34 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 1iru n ALA 40 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1iru n ASN 41 N 1.16 -0.49 0.00 0.00 2.85 -1.26 -4.89 115.26 112.63 1iru n ASN 41 Ca 0.00 -1.97 0.00 0.00 -0.11 0.00 0.00 54.58 52.50 1iru n ASN 41 Cb 0.08 0.14 0.00 0.00 1.24 0.00 0.00 39.78 41.24 1iru n ASN 41 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1iru n GLY 42 N 0.12 1.02 3.14 8.20 0.00 -1.26 -4.73 105.19 111.68 1iru n GLY 42 Ca -0.19 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 1iru n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 43 N -1.12 0.08 -0.01 1.61 1.01 -0.53 0.91 120.40 122.35 1iru s VAL 43 Ca 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1iru s VAL 43 Cb 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 1iru s VAL 43 CO 0.00 -0.35 -0.14 -0.69 0.00 0.00 0.00 175.10 173.91 1iru s VAL 44 N -1.39 1.14 -0.02 2.92 1.01 -0.51 -0.13 120.40 123.42 1iru s VAL 44 Ca -0.14 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1iru s VAL 44 Cb -0.07 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1iru s VAL 44 CO 0.02 0.31 -0.18 -0.76 0.00 0.00 0.00 175.10 174.50 1iru s LEU 45 N -0.36 2.00 -0.14 3.92 1.43 -0.07 -1.71 118.68 123.75 1iru s LEU 45 Ca 0.05 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 52.62 1iru s LEU 45 Cb -0.06 -0.93 0.05 0.00 0.03 0.00 0.00 46.19 45.28 1iru s LEU 45 CO -0.00 0.20 0.53 0.00 0.23 0.00 0.00 176.35 177.30 1iru s ALA 46 N -0.28 -1.33 0.19 4.21 0.00 -0.92 -0.97 121.76 122.66 1iru s ALA 46 Ca 0.04 1.27 -0.08 0.00 0.00 0.00 0.00 51.96 53.19 1iru s ALA 46 Cb -0.08 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 1iru s ALA 46 CO 0.00 -0.28 0.29 -0.08 0.00 0.00 0.00 175.76 175.69 1iru s THR 47 N -0.32 0.04 -0.57 0.00 -1.32 -1.10 -1.05 115.64 111.32 1iru s THR 47 Ca -0.05 -1.54 -0.23 0.00 -1.21 0.00 0.00 61.69 58.66 1iru s THR 47 Cb -0.03 -2.07 0.05 0.00 -1.51 0.00 0.00 72.50 68.94 1iru s THR 47 CO 0.03 -0.17 0.92 -0.70 -2.21 0.00 0.00 174.62 172.49 1iru s GLU 48 N -4.02 3.26 -0.99 7.08 2.12 -1.01 -3.18 118.70 121.96 1iru s GLU 48 Ca 0.23 -0.45 -0.01 0.00 0.36 0.00 0.00 54.97 55.11 1iru s GLU 48 Cb 0.03 -4.10 0.32 0.00 0.26 0.00 0.00 34.13 30.65 1iru s GLU 48 CO 0.05 -1.54 1.73 1.17 -0.54 0.00 0.00 175.26 176.12 1iru n LYS 49 N 7.43 5.19 0.00 4.30 4.81 0.39 -4.81 118.16 135.47 1iru n LYS 49 Ca -0.00 -4.68 0.00 0.00 -0.87 0.00 0.00 58.31 52.75 1iru n LYS 49 Cb 0.47 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.07 1iru n LYS 49 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1iru n LYS 50 N -0.01 0.92 0.00 1.64 4.81 -1.21 -4.24 118.16 120.07 1iru n LYS 50 Ca 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 1iru n LYS 50 Cb 0.28 -1.28 0.00 0.00 0.02 0.00 0.00 35.03 34.04 1iru n LYS 50 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1iru n GLN 51 N 0.25 0.00 -1.87 1.64 1.13 -1.26 -4.69 117.38 112.58 1iru n GLN 51 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1iru n GLN 51 Cb 0.33 -0.82 0.00 0.00 0.11 0.00 0.00 30.24 29.86 1iru n GLN 51 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1iru n LYS 52 N -0.35 -0.72 -0.44 -1.09 -0.00 -1.26 -4.63 118.16 109.67 1iru n LYS 52 Ca 0.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.31 58.23 1iru n LYS 52 Cb 0.00 0.06 -0.06 0.00 -0.00 0.00 0.00 35.03 35.03 1iru n LYS 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1iru n SER 53 N 0.25 2.76 0.00 -5.58 3.41 -1.26 -4.59 113.62 108.62 1iru n SER 53 Ca 0.00 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1iru n SER 53 Cb 0.00 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1iru n SER 53 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1iru n ILE 54 N 2.42 0.00 -0.03 -1.33 -0.00 -1.26 -4.09 119.36 115.08 1iru n ILE 54 Ca 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 62.88 1iru n ILE 54 Cb 0.41 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 40.00 1iru n ILE 54 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1iru n LEU 55 N 0.00 0.00 -4.74 7.28 4.77 -1.26 -5.00 117.00 118.05 1iru n LEU 55 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1iru n LEU 55 Cb 0.00 0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1iru n LEU 55 CO 0.00 0.13 1.17 -0.31 -1.33 0.00 0.00 177.39 177.05 1iru s TYR 56 N -2.18 2.95 -0.91 -1.77 1.51 -1.26 -4.93 117.35 110.76 1iru s TYR 56 Ca -0.03 0.88 -0.16 0.00 -1.01 0.00 0.00 57.07 56.76 1iru s TYR 56 Cb 0.02 -3.91 0.18 0.00 -0.11 0.00 0.00 41.96 38.14 1iru s TYR 56 CO 0.25 -3.07 0.97 0.34 -1.11 0.00 0.00 175.55 172.93 1iru s ASP 57 N 0.54 6.76 0.49 2.29 -1.08 -1.26 -4.58 116.67 119.82 1iru s ASP 57 Ca 0.62 -2.50 0.42 0.00 -0.52 0.00 0.00 52.55 50.57 1iru s ASP 57 Cb -0.44 -2.30 1.55 0.00 -1.46 0.00 0.00 42.92 40.28 1iru s ASP 57 CO 0.42 -0.77 1.46 -0.62 0.52 0.00 0.00 175.17 176.19 1iru n GLU 58 N 5.04 -0.01 0.04 4.34 4.71 -1.26 -2.27 120.64 131.23 1iru n GLU 58 Ca 0.20 1.07 -0.02 0.00 -0.01 0.00 0.00 57.16 58.40 1iru n GLU 58 Cb 0.47 -2.34 -0.01 0.00 -1.01 0.00 0.00 31.44 28.56 1iru n GLU 58 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1iru h ARG 59 N 0.00 -0.10 -0.36 3.49 3.08 -1.99 -3.33 114.38 115.17 1iru h ARG 59 Ca 0.86 0.01 0.11 0.00 0.07 0.00 0.00 59.98 61.03 1iru h ARG 59 Cb 3.26 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 33.32 1iru h ARG 59 CO -0.15 -0.07 0.47 -1.13 -1.07 0.00 0.00 179.97 178.02 1iru n SER 60 N -2.30 0.00 -3.90 7.04 3.41 -0.96 -4.37 113.62 112.53 1iru n SER 60 Ca -0.01 0.28 -0.11 0.00 -0.26 0.00 0.00 58.87 58.77 1iru n SER 60 Cb 0.04 -0.09 -0.12 0.00 -0.26 0.00 0.00 64.21 63.78 1iru n SER 60 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1iru s VAL 61 N -2.89 0.06 0.20 -3.33 1.01 -1.25 -5.17 120.40 109.03 1iru s VAL 61 Ca -0.01 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1iru s VAL 61 Cb 0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.16 1iru s VAL 61 CO 0.16 -0.27 -0.15 -1.00 0.00 0.00 0.00 175.10 173.85 1iru s HIS 62 N -0.82 1.74 -0.01 5.22 0.09 -1.26 -4.96 115.29 115.28 1iru s HIS 62 Ca -0.09 -0.55 0.06 0.00 -0.00 0.00 0.00 55.06 54.49 1iru s HIS 62 Cb -0.05 -0.82 -0.10 0.00 -0.00 0.00 0.00 32.58 31.61 1iru s HIS 62 CO -0.00 0.36 0.13 1.63 -0.00 0.00 0.00 174.74 176.86 1iru n LYS 63 N -0.25 0.50 -3.41 1.40 5.02 -1.26 -4.84 118.16 115.31 1iru n LYS 63 Ca -0.09 -0.05 -0.44 0.00 -2.02 0.00 0.00 58.31 55.71 1iru n LYS 63 Cb 0.60 -1.15 -0.08 0.00 -0.02 0.00 0.00 35.03 34.38 1iru n LYS 63 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1iru s VAL 64 N -2.42 5.04 -0.00 -0.18 1.01 -1.25 -4.03 120.40 118.57 1iru s VAL 64 Ca -0.02 -1.21 0.03 0.00 0.00 0.00 0.00 61.98 60.77 1iru s VAL 64 Cb 0.04 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1iru s VAL 64 CO 0.27 -0.62 -0.07 -1.61 0.00 0.00 0.00 175.10 173.06 1iru s GLU 65 N 1.59 2.55 -0.06 2.72 0.41 -0.22 -4.90 118.70 120.80 1iru s GLU 65 Ca 0.04 -0.72 -0.23 0.00 -0.41 0.00 0.00 54.97 53.65 1iru s GLU 65 Cb -0.25 -2.50 -0.04 0.00 -1.78 0.00 0.00 34.13 29.56 1iru s GLU 65 CO 0.05 0.60 0.69 -1.25 -0.49 0.00 0.00 175.26 174.86 1iru s PRO 66 N -1.38 4.43 -0.19 0.39 0.04 -1.26 -0.19 135.00 136.84 1iru s PRO 66 Ca 0.17 0.86 -0.15 0.00 0.04 0.00 0.00 61.00 61.92 1iru s PRO 66 Cb -0.11 -3.43 -0.10 0.00 0.04 0.00 0.00 34.50 30.89 1iru s PRO 66 CO 0.07 0.10 -0.08 -0.89 0.04 0.00 0.00 177.00 176.24 1iru n ILE 67 N 3.64 1.48 -4.10 0.56 2.08 -1.06 -4.96 119.36 117.00 1iru n ILE 67 Ca -0.02 0.05 -0.05 0.00 0.56 0.00 0.00 62.75 63.29 1iru n ILE 67 Cb 0.51 -2.20 -0.01 0.00 -0.75 0.00 0.00 39.64 37.19 1iru n ILE 67 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1iru n THR 68 N -4.49 0.00 0.24 1.39 -2.24 -1.24 -4.68 114.28 103.26 1iru n THR 68 Ca -0.23 -0.41 0.10 0.00 -2.27 0.00 0.00 64.05 61.24 1iru n THR 68 Cb 0.52 0.12 0.61 0.00 -2.10 0.00 0.00 70.33 69.49 1iru n THR 68 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1iru h LYS 69 N 0.00 0.00 0.00 -0.78 1.57 -1.96 -3.20 116.57 112.20 1iru h LYS 69 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1iru h LYS 69 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1iru h LYS 69 CO 0.10 0.18 0.00 -2.39 -0.57 0.00 0.00 179.45 176.77 1iru n HIS 70 N -3.68 0.00 -4.40 -1.35 1.44 -1.26 -2.04 115.22 103.94 1iru n HIS 70 Ca -0.01 -0.35 -0.24 0.00 -2.01 0.00 0.00 57.72 55.11 1iru n HIS 70 Cb 0.30 -0.03 -0.09 0.00 0.12 0.00 0.00 29.99 30.28 1iru n HIS 70 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1iru s ILE 71 N -0.69 2.83 0.13 0.61 -1.09 -1.21 -3.51 121.20 118.26 1iru s ILE 71 Ca 0.00 -2.16 -0.16 0.00 -2.23 0.00 0.00 60.65 56.11 1iru s ILE 71 Cb 0.00 -2.47 0.03 0.00 -1.58 0.00 0.00 42.46 38.44 1iru s ILE 71 CO 0.00 -0.34 0.40 -0.83 -1.23 0.00 0.00 174.94 172.94 1iru s GLY 72 N -3.42 -0.20 0.07 6.18 0.00 -0.83 -2.55 107.32 106.57 1iru s GLY 72 Ca 0.29 -0.13 -0.03 0.00 0.00 0.00 0.00 44.72 44.85 1iru s GLY 72 CO 0.16 -0.35 0.04 1.08 0.00 0.00 0.00 173.10 174.03 1iru s LEU 73 N -2.82 2.13 0.13 0.66 1.43 0.73 -2.08 118.68 118.86 1iru s LEU 73 Ca 0.04 -0.92 -0.20 0.00 -1.03 0.00 0.00 54.13 52.03 1iru s LEU 73 Cb 0.02 0.45 0.05 0.00 0.03 0.00 0.00 46.19 46.74 1iru s LEU 73 CO -0.10 -0.65 0.49 0.68 0.23 0.00 0.00 176.35 177.00 1iru s VAL 74 N -3.91 0.04 0.34 -1.59 -7.23 -1.15 -1.05 120.40 105.84 1iru s VAL 74 Ca 0.08 -0.31 0.07 0.00 -1.81 0.00 0.00 61.98 60.01 1iru s VAL 74 Cb 0.07 -1.08 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 1iru s VAL 74 CO -0.09 -0.17 0.32 -0.72 -0.31 0.00 0.00 175.10 174.13 1iru s TYR 75 N -3.63 1.72 -0.20 2.82 -0.85 -1.26 -1.27 117.35 114.67 1iru s TYR 75 Ca 0.01 -1.64 -0.04 0.00 -0.52 0.00 0.00 57.07 54.88 1iru s TYR 75 Cb 0.00 -0.64 0.10 0.00 0.38 0.00 0.00 41.96 41.80 1iru s TYR 75 CO -0.11 -0.93 0.31 -1.12 -1.52 0.00 0.00 175.55 172.18 1iru s SER 76 N -3.37 0.59 0.00 -0.18 0.01 -0.81 -4.74 113.70 105.19 1iru s SER 76 Ca 0.40 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.88 1iru s SER 76 Cb 0.02 0.82 0.00 0.00 0.21 0.00 0.00 66.02 67.06 1iru s SER 76 CO 0.28 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1iru n GLY 77 N 5.35 0.40 3.63 3.44 0.00 -1.26 -2.67 105.19 114.08 1iru n GLY 77 Ca -0.05 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 1iru n GLY 77 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iru s MET 78 N -1.66 3.97 0.14 1.61 -1.94 0.17 -4.81 119.30 116.78 1iru s MET 78 Ca 0.00 1.00 -0.21 0.00 -1.71 0.00 0.00 55.69 54.77 1iru s MET 78 Cb 0.00 -3.80 0.02 0.00 2.01 0.00 0.00 34.83 33.06 1iru s MET 78 CO 0.00 -1.04 1.66 0.78 -0.01 0.00 0.00 175.02 176.41 1iru h GLY 79 N 10.46 -0.01 0.90 -0.03 0.00 -1.97 -2.58 103.07 109.84 1iru h GLY 79 Ca -0.22 0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.38 1iru h GLY 79 CO 1.05 -0.16 0.55 -2.55 0.00 0.00 0.00 176.54 175.43 1iru h PRO 80 N -0.16 0.89 -0.47 4.80 0.11 -1.98 -1.64 132.00 133.55 1iru h PRO 80 Ca 0.13 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 1iru h PRO 80 Cb 0.34 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1iru h PRO 80 CO -0.31 0.59 0.15 -0.44 -0.21 0.00 0.00 178.00 177.78 1iru h ASP 81 N 0.92 0.69 -0.02 -2.05 5.19 -1.86 -2.93 116.42 116.35 1iru h ASP 81 Ca 0.37 -0.21 0.02 0.00 -0.62 0.00 0.00 57.03 56.59 1iru h ASP 81 Cb 0.24 -0.18 -0.05 0.00 0.18 0.00 0.00 39.33 39.53 1iru h ASP 81 CO -0.13 0.71 -0.45 0.22 -3.12 0.00 0.00 179.24 176.47 1iru h TYR 82 N 0.63 -1.33 -0.97 4.55 3.20 -0.93 -1.85 116.97 120.25 1iru h TYR 82 Ca 0.15 0.04 0.32 0.00 3.14 0.00 0.00 58.73 62.39 1iru h TYR 82 Cb 0.27 0.58 -0.17 0.00 1.54 0.00 0.00 36.73 38.95 1iru h TYR 82 CO 0.01 -0.48 0.30 -0.09 -1.64 0.00 0.00 178.16 176.27 1iru h ARG 83 N -0.55 0.07 0.16 1.82 2.43 -1.35 0.58 114.38 117.54 1iru h ARG 83 Ca 0.01 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1iru h ARG 83 Cb 0.60 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1iru h ARG 83 CO -0.31 0.05 -0.07 0.28 -1.51 0.00 0.00 179.97 178.40 1iru h VAL 84 N 0.07 0.86 0.00 0.20 2.07 -1.17 -2.39 116.25 115.90 1iru h VAL 84 Ca 0.69 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 68.14 1iru h VAL 84 Cb 1.61 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1iru h VAL 84 CO -0.79 0.01 -0.07 -0.07 0.02 0.00 0.00 177.57 176.68 1iru h LEU 85 N -0.23 0.00 -0.19 2.57 3.38 0.52 -2.00 115.31 119.36 1iru h LEU 85 Ca -0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 1iru h LEU 85 Cb 0.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1iru h LEU 85 CO 0.04 0.07 -0.58 0.58 0.09 0.00 0.00 178.44 178.63 1iru h VAL 86 N 0.00 1.30 -0.15 1.22 2.07 -0.58 -0.58 116.25 119.53 1iru h VAL 86 Ca -0.00 -1.80 -0.11 0.00 0.82 0.00 0.00 66.70 65.61 1iru h VAL 86 Cb 0.22 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1iru h VAL 86 CO 0.01 0.57 -0.38 -0.74 0.02 0.00 0.00 177.57 177.04 1iru h HIS 87 N 0.44 0.38 0.02 1.57 -0.00 -0.94 -1.46 115.15 115.16 1iru h HIS 87 Ca -0.02 -0.10 -0.20 0.00 -0.00 0.00 0.00 60.37 60.05 1iru h HIS 87 Cb 1.20 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 28.51 1iru h HIS 87 CO 0.09 0.67 -0.93 -0.09 -0.00 0.00 0.00 177.93 177.67 1iru h ARG 88 N 0.28 0.11 -0.06 5.26 9.65 -1.28 -2.01 114.38 126.33 1iru h ARG 88 Ca 0.03 -0.14 -0.05 0.00 -1.10 0.00 0.00 59.98 58.72 1iru h ARG 88 Cb 0.81 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 1iru h ARG 88 CO 0.06 0.96 -0.14 0.00 2.80 0.00 0.00 179.97 183.65 1iru h ALA 89 N 0.98 0.10 -0.96 2.80 0.00 -0.97 0.13 119.26 121.34 1iru h ALA 89 Ca -0.04 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.59 1iru h ALA 89 Cb 1.60 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.31 1iru h ALA 89 CO 0.13 0.00 0.62 0.00 0.00 0.00 0.00 179.25 180.00 1iru h ARG 90 N -0.30 1.08 -0.06 0.00 3.08 -1.32 0.34 114.38 117.20 1iru h ARG 90 Ca -0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1iru h ARG 90 Cb 0.74 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1iru h ARG 90 CO 0.03 0.72 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.43 1iru h LYS 91 N 1.11 0.11 -0.43 0.04 3.64 -1.25 -2.42 116.57 117.38 1iru h LYS 91 Ca 0.42 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.80 1iru h LYS 91 Cb 0.18 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1iru h LYS 91 CO -0.18 0.39 0.28 -0.07 -2.27 0.00 0.00 179.45 177.61 1iru h LEU 92 N -0.18 0.36 -1.02 5.20 3.38 0.02 -0.93 115.31 122.15 1iru h LEU 92 Ca 0.02 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1iru h LEU 92 Cb 0.34 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1iru h LEU 92 CO 0.00 0.25 0.05 0.00 0.09 0.00 0.00 178.44 178.83 1iru h ALA 93 N 1.76 1.20 0.04 1.53 0.00 0.05 -2.88 119.26 120.95 1iru h ALA 93 Ca 0.18 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1iru h ALA 93 Cb 0.18 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1iru h ALA 93 CO -0.04 0.53 -0.86 1.96 0.00 0.00 0.00 179.25 180.84 1iru h GLN 94 N 0.71 0.51 -0.02 0.00 1.08 -0.73 -2.85 115.11 113.82 1iru h GLN 94 Ca 0.15 -0.61 0.01 0.00 -1.45 0.00 0.00 58.65 56.75 1iru h GLN 94 Cb 0.37 0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1iru h GLN 94 CO 0.01 1.23 0.02 1.96 -0.95 0.00 0.00 178.83 181.11 1iru h GLN 95 N 0.06 0.00 0.04 1.46 4.20 -1.31 -0.00 115.11 119.57 1iru h GLN 95 Ca -0.12 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1iru h GLN 95 Cb 1.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.35 1iru h GLN 95 CO 0.17 0.00 -0.02 -0.92 -0.67 0.00 0.00 178.83 177.39 1iru h TYR 96 N 0.00 -0.06 -1.00 2.96 3.20 -1.51 -3.26 116.97 117.31 1iru h TYR 96 Ca 0.01 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1iru h TYR 96 Cb 0.06 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 1iru h TYR 96 CO 0.00 0.56 0.65 -0.92 -1.64 0.00 0.00 178.16 176.82 1iru h TYR 97 N -0.92 1.22 -0.77 -3.82 3.20 -1.08 0.82 116.97 115.62 1iru h TYR 97 Ca -0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1iru h TYR 97 Cb 0.64 -0.41 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1iru h TYR 97 CO 0.16 0.70 0.42 -0.07 -1.64 0.00 0.00 178.16 177.72 1iru h LEU 98 N 1.25 0.97 -0.01 2.82 3.38 -1.17 0.56 115.31 123.10 1iru h LEU 98 Ca 0.40 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1iru h LEU 98 Cb 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1iru h LEU 98 CO -0.13 0.79 -0.11 0.58 0.09 0.00 0.00 178.44 179.66 1iru h VAL 99 N 1.07 1.53 0.00 1.22 2.07 -1.47 -3.38 116.25 117.28 1iru h VAL 99 Ca 0.27 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1iru h VAL 99 Cb 0.04 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1iru h VAL 99 CO -0.04 0.46 -1.50 -1.22 0.02 0.00 0.00 177.57 175.29 1iru n TYR 100 N -4.64 0.35 -1.05 1.57 4.02 0.23 -4.97 117.16 112.66 1iru n TYR 100 Ca -0.09 0.10 -0.02 0.00 -0.01 0.00 0.00 57.90 57.88 1iru n TYR 100 Cb 0.41 -0.62 -0.01 0.00 -0.02 0.00 0.00 39.34 39.10 1iru n TYR 100 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1iru n GLN 101 N -2.32 -0.97 -4.66 -0.72 1.13 0.19 -4.98 117.38 105.06 1iru n GLN 101 Ca -0.02 0.36 -0.23 0.00 -1.94 0.00 0.00 57.00 55.17 1iru n GLN 101 Cb 0.53 -4.15 -0.16 0.00 0.11 0.00 0.00 30.24 26.58 1iru n GLN 101 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1iru s GLU 102 N -1.34 1.36 0.45 -1.09 2.12 -1.26 -5.07 118.70 113.87 1iru s GLU 102 Ca 0.00 -0.49 -0.24 0.00 0.36 0.00 0.00 54.97 54.59 1iru s GLU 102 Cb 0.00 -1.24 -0.09 0.00 0.26 0.00 0.00 34.13 33.06 1iru s GLU 102 CO 0.00 0.23 1.22 -2.30 -0.54 0.00 0.00 175.26 173.86 1iru n PRO 103 N 3.06 1.73 -1.97 4.30 -0.02 -1.26 -4.34 135.00 136.50 1iru n PRO 103 Ca -0.17 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1iru n PRO 103 Cb 0.54 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1iru n PRO 103 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1iru s ILE 104 N -1.25 3.03 0.11 4.25 2.07 -1.26 -4.93 121.20 123.22 1iru s ILE 104 Ca 0.64 0.56 -0.32 0.00 -1.41 0.00 0.00 60.65 60.12 1iru s ILE 104 Cb -0.50 -3.36 -0.12 0.00 0.13 0.00 0.00 42.46 38.61 1iru s ILE 104 CO 0.56 0.01 1.77 -2.65 -1.91 0.00 0.00 174.94 172.72 1iru n PRO 105 N 5.13 2.53 -0.30 3.50 -0.02 -1.26 -4.77 135.00 139.80 1iru n PRO 105 Ca 0.15 0.92 0.12 0.00 -2.02 0.00 0.00 63.50 62.67 1iru n PRO 105 Cb 0.40 -2.77 0.26 0.00 -0.02 0.00 0.00 33.50 31.38 1iru n PRO 105 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1iru h THR 106 N 4.44 0.21 -0.88 3.45 2.02 -1.92 0.55 112.91 120.77 1iru h THR 106 Ca -0.46 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 66.71 1iru h THR 106 Cb 1.24 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 1iru h THR 106 CO 0.93 0.02 0.58 0.00 0.37 0.00 0.00 175.52 177.42 1iru h ALA 107 N 1.84 1.15 -0.54 6.16 0.00 -1.99 -1.42 119.26 124.47 1iru h ALA 107 Ca 0.54 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.35 1iru h ALA 107 Cb 1.08 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1iru h ALA 107 CO -0.76 0.46 0.14 1.96 0.00 0.00 0.00 179.25 181.05 1iru h GLN 108 N 1.14 0.85 -0.64 0.00 1.08 -0.31 -1.17 115.11 116.07 1iru h GLN 108 Ca 0.34 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.32 1iru h GLN 108 Cb -0.05 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.24 1iru h GLN 108 CO -0.10 0.80 0.28 1.25 -0.95 0.00 0.00 178.83 180.11 1iru h LEU 109 N 0.75 0.83 0.18 1.46 5.85 -0.65 -1.93 115.31 121.80 1iru h LEU 109 Ca 0.17 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1iru h LEU 109 Cb 0.32 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1iru h LEU 109 CO -0.00 0.72 -0.09 0.58 -0.34 0.00 0.00 178.44 179.31 1iru h VAL 110 N 0.90 0.90 -0.63 1.05 2.07 -0.91 -1.90 116.25 117.74 1iru h VAL 110 Ca 0.22 -0.38 0.13 0.00 0.82 0.00 0.00 66.70 67.48 1iru h VAL 110 Cb 0.13 1.14 -0.10 0.00 -1.52 0.00 0.00 31.29 30.94 1iru h VAL 110 CO -0.03 0.09 0.08 1.56 0.02 0.00 0.00 177.57 179.30 1iru h GLN 111 N -0.43 0.19 -0.10 1.57 4.20 -0.89 0.16 115.11 119.82 1iru h GLN 111 Ca -0.02 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1iru h GLN 111 Cb 0.33 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1iru h GLN 111 CO 0.04 0.13 0.06 0.00 -0.67 0.00 0.00 178.83 178.39 1iru h ARG 112 N 0.20 0.14 -0.15 1.46 3.08 -1.24 -1.59 114.38 116.28 1iru h ARG 112 Ca 0.34 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.26 1iru h ARG 112 Cb 0.54 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1iru h ARG 112 CO -0.47 0.15 -0.42 0.28 -1.07 0.00 0.00 179.97 178.43 1iru h VAL 113 N 0.10 1.31 -0.75 2.04 2.07 -0.79 -2.66 116.25 117.56 1iru h VAL 113 Ca 0.04 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 1iru h VAL 113 Cb 0.04 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1iru h VAL 113 CO -0.01 0.48 0.36 0.00 0.02 0.00 0.00 177.57 178.42 1iru h ALA 114 N 1.27 1.21 -0.64 1.67 0.00 -0.50 -1.39 119.26 120.88 1iru h ALA 114 Ca 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1iru h ALA 114 Cb 0.86 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1iru h ALA 114 CO 0.07 0.60 0.38 0.77 0.00 0.00 0.00 179.25 181.07 1iru h SER 115 N 1.07 0.76 0.26 0.00 0.02 -0.95 -0.01 113.55 114.71 1iru h SER 115 Ca 0.26 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1iru h SER 115 Cb 0.11 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1iru h SER 115 CO -0.03 0.59 -0.13 0.58 -1.14 0.00 0.00 176.83 176.71 1iru h VAL 116 N 0.88 0.78 -0.79 2.27 2.07 -1.12 -1.18 116.25 119.16 1iru h VAL 116 Ca 0.23 -0.57 0.16 0.00 0.82 0.00 0.00 66.70 67.34 1iru h VAL 116 Cb -0.02 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1iru h VAL 116 CO -0.04 0.12 0.53 0.24 0.02 0.00 0.00 177.57 178.43 1iru h MET 117 N -0.66 0.39 -0.14 1.57 2.86 -0.86 0.24 114.93 118.33 1iru h MET 117 Ca -0.04 -0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.43 1iru h MET 117 Cb 0.46 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1iru h MET 117 CO 0.06 0.26 -0.57 0.37 1.06 0.00 0.00 176.91 178.09 1iru h GLN 118 N 0.40 0.43 -0.79 1.72 -0.00 -0.77 -3.04 115.11 113.05 1iru h GLN 118 Ca 0.39 -0.28 0.08 0.00 -0.00 0.00 0.00 58.65 58.84 1iru h GLN 118 Cb 0.95 0.04 -0.07 0.00 0.00 0.00 0.00 27.48 28.40 1iru h GLN 118 CO -0.13 0.88 0.46 1.49 0.00 0.00 0.00 178.83 181.53 1iru h GLU 119 N 0.33 0.78 -0.95 1.69 4.81 0.75 -1.54 114.58 120.46 1iru h GLU 119 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1iru h GLU 119 Cb 1.09 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1iru h GLU 119 CO 0.10 0.52 0.00 0.66 -0.73 0.00 0.00 179.01 179.56 1iru n TYR 120 N -4.72 0.00 -0.28 0.92 4.02 -0.99 -1.50 117.16 114.62 1iru n TYR 120 Ca 0.12 -0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1iru n TYR 120 Cb 0.22 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 1iru n TYR 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1iru n THR 121 N 0.18 0.29 0.00 -0.72 -2.24 -0.58 -2.57 114.28 108.63 1iru n THR 121 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1iru n THR 121 Cb 0.28 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1iru n THR 121 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1iru n GLN 122 N -0.14 0.12 -1.41 -0.78 7.27 -0.97 -4.53 117.38 116.94 1iru n GLN 122 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.72 1iru n GLN 122 Cb 0.17 -0.53 0.10 0.00 2.41 0.00 0.00 30.24 32.39 1iru n GLN 122 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1iru s SER 123 N -2.10 4.10 0.64 1.69 0.01 -0.56 -4.31 113.70 113.17 1iru s SER 123 Ca 0.00 2.44 -0.14 0.00 1.31 0.00 0.00 55.95 59.56 1iru s SER 123 Cb 0.00 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 1iru s SER 123 CO 0.00 -2.33 1.06 -0.83 0.41 0.00 0.00 173.24 171.55 1iru s GLY 124 N -1.89 1.94 0.00 3.44 0.00 -1.26 -3.99 107.32 105.56 1iru s GLY 124 Ca 0.76 0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.77 1iru s GLY 124 CO 0.45 0.60 0.00 0.61 0.00 0.00 0.00 173.10 174.77 1iru n GLY 125 N -1.32 0.29 3.40 0.20 0.00 -0.32 -4.79 105.19 102.65 1iru n GLY 125 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1iru n GLY 125 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1iru s VAL 126 N -1.82 1.81 0.16 1.61 -7.23 -1.26 -4.94 120.40 108.73 1iru s VAL 126 Ca 0.00 -2.20 0.07 0.00 -1.81 0.00 0.00 61.98 58.03 1iru s VAL 126 Cb 0.00 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1iru s VAL 126 CO 0.00 -0.44 0.02 0.00 -0.31 0.00 0.00 175.10 174.36 1iru s ARG 127 N -3.66 2.48 0.86 4.82 1.70 -1.26 -4.06 118.95 119.83 1iru s ARG 127 Ca 0.26 -1.03 -0.10 0.00 -0.47 0.00 0.00 55.73 54.39 1iru s ARG 127 Cb 0.01 -2.42 0.11 0.00 -0.57 0.00 0.00 34.95 32.08 1iru s ARG 127 CO 0.10 0.47 1.13 -2.14 -1.08 0.00 0.00 175.30 173.79 1iru s PRO 128 N -2.85 1.46 0.13 3.89 0.02 -1.06 -4.85 135.00 131.73 1iru s PRO 128 Ca 0.27 1.45 -0.31 0.00 0.02 0.00 0.00 61.00 62.44 1iru s PRO 128 Cb -0.10 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.56 1iru s PRO 128 CO 0.19 -2.29 1.32 -0.06 -0.33 0.00 0.00 177.00 175.83 1iru s PHE 129 N -2.69 3.30 -1.38 6.54 0.40 -1.26 -4.90 117.98 117.99 1iru s PHE 129 Ca 0.66 1.12 -0.07 0.00 -0.60 0.00 0.00 56.93 58.03 1iru s PHE 129 Cb -0.21 -3.60 0.09 0.00 0.51 0.00 0.00 43.02 39.81 1iru s PHE 129 CO 0.57 -1.97 2.42 0.41 0.70 0.00 0.00 175.22 177.35 1iru n GLY 130 N 3.08 4.97 3.41 4.36 0.00 -1.26 -4.40 105.19 115.34 1iru n GLY 130 Ca 0.09 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 1iru n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iru s VAL 131 N -0.26 0.03 -0.01 1.61 0.11 -1.26 -0.66 120.40 119.96 1iru s VAL 131 Ca 0.55 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 59.22 1iru s VAL 131 Cb 0.17 -1.19 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1iru s VAL 131 CO -0.08 -0.15 -0.05 -0.44 -3.33 0.00 0.00 175.10 171.05 1iru s SER 132 N -2.80 0.73 0.21 3.54 0.01 -1.09 -3.01 113.70 111.30 1iru s SER 132 Ca 0.03 -0.11 0.10 0.00 1.31 0.00 0.00 55.95 57.29 1iru s SER 132 Cb 0.00 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 1iru s SER 132 CO -0.10 0.04 -0.14 -0.76 0.41 0.00 0.00 173.24 172.68 1iru s LEU 133 N 0.13 2.78 -0.25 2.44 1.43 -0.43 -1.93 118.68 122.85 1iru s LEU 133 Ca -0.01 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1iru s LEU 133 Cb -0.05 -1.43 0.07 0.00 0.03 0.00 0.00 46.19 44.81 1iru s LEU 133 CO -0.00 0.08 -0.01 -0.76 0.23 0.00 0.00 176.35 175.89 1iru s LEU 134 N -3.02 2.58 -0.15 1.79 1.43 -0.39 -2.44 118.68 118.47 1iru s LEU 134 Ca 0.26 -1.30 -0.08 0.00 -1.03 0.00 0.00 54.13 51.97 1iru s LEU 134 Cb -0.08 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 1iru s LEU 134 CO 0.14 -0.28 0.14 -0.63 0.23 0.00 0.00 176.35 175.95 1iru s ILE 135 N 1.43 5.47 -0.02 -0.59 1.09 0.16 -2.93 121.20 125.81 1iru s ILE 135 Ca -0.01 0.21 0.04 0.00 -1.10 0.00 0.00 60.65 59.79 1iru s ILE 135 Cb -0.18 -3.43 -0.01 0.00 -1.06 0.00 0.00 42.46 37.78 1iru s ILE 135 CO -0.09 0.55 -0.13 0.00 -0.10 0.00 0.00 174.94 175.16 1iru s GLY 137 N -0.16 -0.43 -0.61 0.00 0.00 -0.51 -1.96 107.32 103.65 1iru s GLY 137 Ca 0.02 0.22 0.03 0.00 0.00 0.00 0.00 44.72 44.99 1iru s GLY 137 CO 0.00 0.02 0.38 -0.98 0.00 0.00 0.00 173.10 172.52 1iru s TRP 138 N -3.80 3.36 -0.31 1.90 0.51 -1.23 0.84 118.94 120.21 1iru s TRP 138 Ca 0.04 -3.16 -0.01 0.00 -2.12 0.00 0.00 56.10 50.85 1iru s TRP 138 Cb -0.02 -2.87 0.06 0.00 -0.81 0.00 0.00 33.47 29.84 1iru s TRP 138 CO -0.08 -0.70 0.02 -0.80 -0.51 0.00 0.00 176.95 174.88 1iru s ASN 139 N -0.48 4.91 -0.58 2.95 0.01 -1.19 -4.74 114.94 115.82 1iru s ASN 139 Ca 0.20 -1.42 -0.02 0.00 -0.71 0.00 0.00 52.86 50.91 1iru s ASN 139 Cb -0.18 -1.72 -0.02 0.00 0.41 0.00 0.00 41.25 39.74 1iru s ASN 139 CO -0.06 -0.30 0.49 -1.84 -1.51 0.00 0.00 177.10 173.89 1iru n GLU 140 N 4.59 -2.14 0.00 -0.60 0.00 -1.26 -4.21 120.64 117.02 1iru n GLU 140 Ca -0.11 0.45 0.00 0.00 0.00 0.00 0.00 57.16 57.50 1iru n GLU 140 Cb 0.43 -3.96 0.00 0.00 0.00 0.00 0.00 31.44 27.91 1iru n GLU 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1iru n GLY 141 N -1.23 1.77 3.76 -1.84 0.00 -1.26 -4.96 105.19 101.43 1iru n GLY 141 Ca -0.09 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1iru n GLY 141 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iru s ARG 142 N 0.00 4.49 0.35 1.61 3.03 -1.26 -4.88 118.95 122.29 1iru s ARG 142 Ca 0.00 2.02 -0.14 0.00 2.03 0.00 0.00 55.73 59.64 1iru s ARG 142 Cb 0.00 -3.13 -0.08 0.00 -1.03 0.00 0.00 34.95 30.70 1iru s ARG 142 CO 0.00 -0.01 0.76 -2.14 -1.13 0.00 0.00 175.30 172.77 1iru s PRO 143 N -1.50 3.95 0.07 3.89 0.02 -1.26 -3.15 135.00 137.01 1iru s PRO 143 Ca 0.48 0.64 0.05 0.00 0.02 0.00 0.00 61.00 62.18 1iru s PRO 143 Cb -0.36 -2.40 -0.03 0.00 0.02 0.00 0.00 34.50 31.73 1iru s PRO 143 CO 0.46 0.09 -0.14 0.71 -0.33 0.00 0.00 177.00 177.79 1iru s TYR 144 N -2.11 1.20 -0.05 6.54 1.51 0.25 -4.97 117.35 119.71 1iru s TYR 144 Ca 0.54 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 56.13 1iru s TYR 144 Cb -0.10 -0.68 0.04 0.00 -0.11 0.00 0.00 41.96 41.10 1iru s TYR 144 CO 0.21 0.05 0.10 -1.17 -1.11 0.00 0.00 175.55 173.63 1iru s LEU 145 N -1.63 0.44 0.15 -1.29 2.96 -1.26 -1.42 118.68 116.62 1iru s LEU 145 Ca -0.02 0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1iru s LEU 145 Cb -0.10 0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.64 1iru s LEU 145 CO 0.02 -0.20 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.44 1iru s PHE 146 N 1.72 1.16 -0.04 5.38 0.40 0.66 -1.27 117.98 125.98 1iru s PHE 146 Ca -0.02 -0.90 -0.02 0.00 -0.60 0.00 0.00 56.93 55.39 1iru s PHE 146 Cb -0.12 -0.64 0.03 0.00 0.51 0.00 0.00 43.02 42.80 1iru s PHE 146 CO -0.04 -0.09 0.10 -1.14 0.70 0.00 0.00 175.22 174.75 1iru s GLN 147 N -3.83 0.05 -0.02 0.44 0.74 0.25 -0.66 119.66 116.62 1iru s GLN 147 Ca 0.18 0.27 0.04 0.00 0.05 0.00 0.00 55.36 55.91 1iru s GLN 147 Cb 0.05 -0.17 -0.01 0.00 1.10 0.00 0.00 33.01 33.98 1iru s GLN 147 CO 0.01 -0.14 -0.14 -1.54 -0.55 0.00 0.00 175.29 172.92 1iru s SER 148 N 0.98 1.73 0.53 6.67 1.04 -1.02 -0.21 113.70 123.42 1iru s SER 148 Ca -0.08 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.10 1iru s SER 148 Cb -0.10 -0.33 0.01 0.00 0.10 0.00 0.00 66.02 65.70 1iru s SER 148 CO -0.04 0.15 0.11 1.51 0.98 0.00 0.00 173.24 175.95 1iru s ASP 149 N -0.13 4.28 0.28 7.02 1.47 -0.78 -1.31 116.67 127.51 1iru s ASP 149 Ca 0.01 -1.58 0.05 0.00 1.18 0.00 0.00 52.55 52.22 1iru s ASP 149 Cb -0.08 0.59 0.78 0.00 -0.34 0.00 0.00 42.92 43.87 1iru s ASP 149 CO 0.00 -0.96 1.37 -2.65 0.68 0.00 0.00 175.17 173.61 1iru n PRO 150 N -1.43 -0.07 0.30 2.11 -0.02 -1.16 0.07 135.00 134.80 1iru n PRO 150 Ca -0.16 1.29 0.19 0.00 -2.02 0.00 0.00 63.50 62.80 1iru n PRO 150 Cb 0.66 -2.10 1.03 0.00 -0.02 0.00 0.00 33.50 33.07 1iru n PRO 150 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1iru h SER 151 N 0.00 0.00 0.00 2.55 4.64 -1.88 -3.40 113.55 115.46 1iru h SER 151 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1iru h SER 151 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1iru h SER 151 CO -0.79 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.78 1iru n GLY 152 N -1.22 0.84 3.86 -0.77 0.00 0.11 -4.29 105.19 103.72 1iru n GLY 152 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1iru n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru s ALA 153 N -2.07 3.70 0.14 4.61 0.00 -1.25 -4.55 121.76 122.33 1iru s ALA 153 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.66 1iru s ALA 153 Cb 0.00 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 1iru s ALA 153 CO 0.00 0.55 -0.09 1.52 0.00 0.00 0.00 175.76 177.74 1iru s TYR 154 N -1.43 1.18 0.06 0.00 -0.85 -1.26 -1.86 117.35 113.19 1iru s TYR 154 Ca 0.34 -0.79 -0.10 0.00 -0.52 0.00 0.00 57.07 56.01 1iru s TYR 154 Cb -0.14 -0.61 0.00 0.00 0.38 0.00 0.00 41.96 41.59 1iru s TYR 154 CO 0.19 0.03 0.20 -0.06 -1.52 0.00 0.00 175.55 174.39 1iru s PHE 155 N -3.38 0.08 -0.21 -3.49 0.40 0.71 -4.96 117.98 107.13 1iru s PHE 155 Ca 0.15 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 56.02 1iru s PHE 155 Cb 0.03 -0.03 -0.04 0.00 0.51 0.00 0.00 43.02 43.49 1iru s PHE 155 CO -0.01 -0.48 0.10 0.00 0.70 0.00 0.00 175.22 175.54 1iru s ALA 156 N -3.08 3.51 0.13 5.36 0.00 -1.26 -0.58 121.76 125.84 1iru s ALA 156 Ca -0.01 -0.80 0.09 0.00 0.00 0.00 0.00 51.96 51.24 1iru s ALA 156 Cb 0.01 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 1iru s ALA 156 CO -0.07 0.02 -0.18 -1.58 0.00 0.00 0.00 175.76 173.95 1iru s TRP 157 N 0.65 2.52 -0.26 0.00 0.52 -0.40 -4.98 118.94 116.99 1iru s TRP 157 Ca 0.06 -0.27 0.20 0.00 0.02 0.00 0.00 56.10 56.10 1iru s TRP 157 Cb -0.13 -1.31 0.11 0.00 -1.15 0.00 0.00 33.47 30.99 1iru s TRP 157 CO 0.01 0.41 1.31 0.87 0.02 0.00 0.00 176.95 179.58 1iru h LYS 158 N 3.57 0.00 0.00 4.98 1.57 -1.91 -3.39 116.57 121.39 1iru h LYS 158 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1iru h LYS 158 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1iru h LYS 158 CO 0.47 0.19 0.00 0.00 -0.57 0.00 0.00 179.45 179.54 1iru n ALA 159 N -2.20 0.00 -3.47 3.86 0.00 -1.25 0.65 120.51 118.10 1iru n ALA 159 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1iru n ALA 159 Cb 0.64 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.10 1iru n ALA 159 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1iru n THR 160 N -0.27 0.00 -3.75 0.00 5.66 0.25 -4.97 114.28 111.20 1iru n THR 160 Ca 0.00 -0.14 -0.11 0.00 -3.05 0.00 0.00 64.05 60.75 1iru n THR 160 Cb 0.00 0.31 -0.07 0.00 -1.55 0.00 0.00 70.33 69.02 1iru n THR 160 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iru s ALA 161 N -1.49 -0.64 0.04 1.79 0.00 -1.25 -0.96 121.76 119.25 1iru s ALA 161 Ca 0.13 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 1iru s ALA 161 Cb -0.01 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.54 1iru s ALA 161 CO 0.01 -0.47 0.23 -1.64 0.00 0.00 0.00 175.76 173.88 1iru s MET 162 N -3.04 0.71 0.00 0.00 1.00 -0.49 -4.86 119.30 112.62 1iru s MET 162 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 55.69 55.12 1iru s MET 162 Cb 0.01 0.30 0.00 0.00 0.00 0.00 0.00 34.83 35.14 1iru s MET 162 CO -0.06 -0.21 0.00 0.41 0.00 0.00 0.00 175.02 175.15 1iru n GLY 163 N 0.74 -0.61 3.76 -0.03 0.00 -1.26 -0.46 105.19 107.33 1iru n GLY 163 Ca -0.19 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.39 1iru n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iru s LYS 164 N 0.00 4.27 -1.84 1.61 1.02 -0.09 -2.37 119.74 122.33 1iru s LYS 164 Ca 0.00 2.33 0.00 0.00 0.02 0.00 0.00 55.97 58.32 1iru s LYS 164 Cb 0.00 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 1iru s LYS 164 CO 0.00 -0.36 0.00 0.09 -0.92 0.00 0.00 175.35 174.16 1iru n ASN 165 N 1.37 -5.45 0.25 2.83 3.02 -1.26 -4.56 115.26 111.47 1iru n ASN 165 Ca 0.03 0.20 0.12 0.00 -0.03 0.00 0.00 54.58 54.90 1iru n ASN 165 Cb 0.41 -4.66 0.66 0.00 -0.61 0.00 0.00 39.78 35.58 1iru n ASN 165 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1iru h TYR 166 N 0.00 0.00 -0.21 3.10 -0.00 -1.77 1.06 116.97 119.15 1iru h TYR 166 Ca -0.44 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.24 1iru h TYR 166 Cb 1.32 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.04 1iru h TYR 166 CO 0.57 0.15 -0.07 -0.39 -0.00 0.00 0.00 178.16 178.42 1iru h VAL 167 N 0.00 1.29 0.03 -0.90 -1.51 -1.87 -0.81 116.25 112.48 1iru h VAL 167 Ca -0.00 -1.08 -0.28 0.00 -1.23 0.00 0.00 66.70 64.12 1iru h VAL 167 Cb 0.44 1.58 0.02 0.00 -2.13 0.00 0.00 31.29 31.20 1iru h VAL 167 CO 0.02 0.33 -1.10 0.78 -1.23 0.00 0.00 177.57 176.37 1iru h ASN 168 N 0.12 0.89 0.13 4.19 2.35 -1.75 -2.81 115.58 118.70 1iru h ASN 168 Ca 0.05 -0.74 -0.02 0.00 -0.55 0.00 0.00 56.30 55.04 1iru h ASN 168 Cb 0.53 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 1iru h ASN 168 CO 0.02 1.54 -0.07 1.23 -1.65 0.00 0.00 177.43 178.51 1iru h GLY 169 N 0.42 0.00 0.09 2.83 0.00 0.12 -0.14 103.07 106.39 1iru h GLY 169 Ca -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1iru h GLY 169 CO 0.21 0.00 -0.04 1.70 0.00 0.00 0.00 176.54 178.41 1iru h LYS 170 N 0.00 -0.12 -0.89 4.80 3.64 -1.11 -3.08 116.57 119.82 1iru h LYS 170 Ca -0.00 0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.61 1iru h LYS 170 Cb 0.16 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 31.88 1iru h LYS 170 CO 0.01 -0.08 0.36 1.79 -2.27 0.00 0.00 179.45 179.26 1iru h THR 171 N -0.96 0.44 -0.14 1.00 1.35 -1.39 1.24 112.91 114.45 1iru h THR 171 Ca -0.01 -0.12 0.05 0.00 -0.55 0.00 0.00 66.41 65.77 1iru h THR 171 Cb 0.09 0.05 -0.06 0.00 -1.73 0.00 0.00 68.15 66.51 1iru h THR 171 CO 0.02 0.06 -0.22 0.15 -0.25 0.00 0.00 175.52 175.29 1iru h PHE 172 N 0.35 -0.57 0.00 4.73 3.57 -1.13 0.61 116.94 124.50 1iru h PHE 172 Ca 0.56 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 62.01 1iru h PHE 172 Cb 1.08 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 40.08 1iru h PHE 172 CO -0.16 -0.30 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.19 1iru h LEU 173 N -0.27 0.00 0.00 0.59 3.38 -0.50 1.30 115.31 119.81 1iru h LEU 173 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1iru h LEU 173 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1iru h LEU 173 CO -0.30 0.36 0.11 1.21 0.09 0.00 0.00 178.44 179.92 1iru n GLU 174 N -3.70 0.00 0.00 1.13 2.13 0.39 -3.53 120.64 117.07 1iru n GLU 174 Ca -0.01 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.08 1iru n GLU 174 Cb 0.46 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.56 1iru n GLU 174 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1iru n LYS 175 N -1.24 0.00 0.00 5.31 5.02 -0.97 -4.92 118.16 121.36 1iru n LYS 175 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1iru n LYS 175 Cb 0.11 -0.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 1iru n LYS 175 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1iru n ARG 176 N -1.84 0.00 0.00 1.97 1.85 0.44 -4.64 116.66 114.44 1iru n ARG 176 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1iru n ARG 176 Cb 0.00 -0.99 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 1iru n ARG 176 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1iru n TYR 177 N -0.11 0.00 -3.92 2.89 -0.00 -1.25 -4.92 117.16 109.86 1iru n TYR 177 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.80 1iru n TYR 177 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.33 1iru n TYR 177 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1iru s ASN 178 N 0.00 0.16 0.89 9.48 3.84 -1.26 -4.80 114.94 123.25 1iru s ASN 178 Ca 0.00 -1.10 -0.10 0.00 0.21 0.00 0.00 52.86 51.87 1iru s ASN 178 Cb 0.00 0.74 0.15 0.00 -0.55 0.00 0.00 41.25 41.59 1iru s ASN 178 CO 0.00 -1.45 0.34 -0.62 -2.79 0.00 0.00 177.10 172.59 1iru n GLU 179 N -0.50 -1.15 -0.09 0.43 1.02 -1.26 -3.46 120.64 115.63 1iru n GLU 179 Ca -0.04 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.52 1iru n GLU 179 Cb 0.60 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 1iru n GLU 179 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1iru n ASP 180 N -1.45 0.00 -4.70 1.62 8.00 -1.26 -4.91 116.55 113.85 1iru n ASP 180 Ca 0.05 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.12 1iru n ASP 180 Cb 0.24 -1.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.02 1iru n ASP 180 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1iru n LEU 181 N 0.00 3.69 0.00 0.64 4.77 -1.22 -4.97 117.00 119.90 1iru n LEU 181 Ca 0.00 1.08 -0.04 0.00 -0.03 0.00 0.00 56.01 57.01 1iru n LEU 181 Cb 0.00 -1.52 0.03 0.00 -2.33 0.00 0.00 43.42 39.60 1iru n LEU 181 CO 0.00 -0.00 0.12 1.21 -1.33 0.00 0.00 177.39 177.39 1iru n GLU 182 N 3.59 -0.31 0.00 3.23 2.13 -1.26 -4.51 120.64 123.51 1iru n GLU 182 Ca 0.16 -0.29 0.00 0.00 0.66 0.00 0.00 57.16 57.69 1iru n GLU 182 Cb 0.33 -0.20 0.00 0.00 0.27 0.00 0.00 31.44 31.84 1iru n GLU 182 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 1iru n LEU 183 N 0.00 0.00 -0.02 4.31 -0.00 -1.26 -1.99 117.00 118.04 1iru n LEU 183 Ca 0.02 0.00 0.18 0.00 -0.00 0.00 0.00 56.01 56.22 1iru n LEU 183 Cb 0.08 0.00 0.30 0.00 -0.00 0.00 0.00 43.42 43.80 1iru n LEU 183 CO 0.06 0.00 1.17 -0.33 -0.00 0.00 0.00 177.39 178.29 1iru h GLU 184 N 0.00 0.00 0.31 1.47 3.07 -1.99 0.15 114.58 117.59 1iru h GLU 184 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1iru h GLU 184 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1iru h GLU 184 CO 0.00 0.00 -0.15 -0.44 -1.40 0.00 0.00 179.01 177.02 1iru h ASP 185 N 0.00 -0.35 -0.16 1.42 3.32 -1.91 -2.69 116.42 116.05 1iru h ASP 185 Ca 0.31 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.20 1iru h ASP 185 Cb 2.55 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 42.18 1iru h ASP 185 CO -0.00 0.07 0.11 0.00 -1.72 0.00 0.00 179.24 177.69 1iru h ALA 186 N -0.38 2.06 -0.57 3.45 0.00 -0.06 -1.64 119.26 122.12 1iru h ALA 186 Ca -0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1iru h ALA 186 Cb 0.52 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1iru h ALA 186 CO 0.07 -0.09 -0.05 0.82 0.00 0.00 0.00 179.25 179.99 1iru h ILE 187 N 0.07 1.27 0.17 0.00 2.04 -1.46 -2.23 117.51 117.36 1iru h ILE 187 Ca 0.07 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 1iru h ILE 187 Cb 0.19 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1iru h ILE 187 CO -0.01 0.43 -0.08 -0.74 0.00 0.00 0.00 178.15 177.75 1iru h HIS 188 N 0.92 -0.21 0.00 1.37 2.76 -0.97 -1.90 115.15 117.12 1iru h HIS 188 Ca 0.15 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1iru h HIS 188 Cb 0.62 0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1iru h HIS 188 CO 0.04 0.16 0.00 -2.37 -1.30 0.00 0.00 177.93 174.46 1iru n THR 189 N -5.01 1.73 -0.09 6.26 5.66 -0.89 -1.11 114.28 120.83 1iru n THR 189 Ca -0.09 0.48 -0.22 0.00 -3.05 0.00 0.00 64.05 61.17 1iru n THR 189 Cb 0.24 -1.44 -0.12 0.00 -1.55 0.00 0.00 70.33 67.47 1iru n THR 189 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iru n ALA 190 N -1.53 0.83 0.27 1.79 0.00 -0.84 -2.74 120.51 118.29 1iru n ALA 190 Ca 0.00 -0.55 0.15 0.00 0.00 0.00 0.00 53.44 53.04 1iru n ALA 190 Cb 0.03 -0.53 0.73 0.00 0.00 0.00 0.00 19.45 19.68 1iru n ALA 190 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1iru h ILE 191 N -0.82 0.34 0.05 0.00 2.04 -0.72 -1.96 117.51 116.45 1iru h ILE 191 Ca -0.39 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 1iru h ILE 191 Cb 1.45 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1iru h ILE 191 CO -0.18 0.09 -0.02 -0.07 0.00 0.00 0.00 178.15 177.97 1iru h LEU 192 N 0.00 -0.06 -2.32 1.44 3.38 -1.26 -2.61 115.31 113.89 1iru h LEU 192 Ca -0.00 -0.59 0.03 0.00 0.09 0.00 0.00 57.88 57.41 1iru h LEU 192 Cb 0.42 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1iru h LEU 192 CO 0.01 0.66 0.21 0.00 0.09 0.00 0.00 178.44 179.41 1iru h THR 193 N -0.88 0.23 0.12 0.22 1.03 -1.29 -0.40 112.91 111.93 1iru h THR 193 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.39 1iru h THR 193 Cb 0.65 0.82 0.00 0.00 -1.07 0.00 0.00 68.15 68.55 1iru h THR 193 CO 0.01 0.00 -0.06 -0.07 -0.01 0.00 0.00 175.52 175.39 1iru h LEU 194 N 0.00 -0.13 -2.53 0.00 3.38 -1.31 -3.15 115.31 111.56 1iru h LEU 194 Ca 0.05 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1iru h LEU 194 Cb 0.46 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1iru h LEU 194 CO -0.00 0.44 0.15 0.07 0.09 0.00 0.00 178.44 179.20 1iru h LYS 195 N -0.80 0.00 -0.04 1.13 -0.00 -0.69 -1.89 116.57 114.28 1iru h LYS 195 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.63 1iru h LYS 195 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.79 1iru h LYS 195 CO 0.03 0.00 0.00 -1.91 -0.00 0.00 0.00 179.45 177.57 1iru n GLU 196 N -3.03 0.18 0.00 0.07 4.07 -0.85 -2.79 120.64 118.29 1iru n GLU 196 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1iru n GLU 196 Cb 0.22 -1.02 0.00 0.00 -0.06 0.00 0.00 31.44 30.58 1iru n GLU 196 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1iru n SER 197 N -0.29 0.00 -4.52 4.31 3.41 -0.94 -4.93 113.62 110.66 1iru n SER 197 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1iru n SER 197 Cb 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.83 1iru n SER 197 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1iru n PHE 198 N -0.63 0.69 -2.51 7.33 3.01 -0.75 -4.86 117.46 119.74 1iru n PHE 198 Ca 0.00 0.11 -0.42 0.00 1.01 0.00 0.00 57.45 58.15 1iru n PHE 198 Cb 0.00 -1.88 -0.03 0.00 -0.01 0.00 0.00 39.48 37.56 1iru n PHE 198 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1iru s GLU 199 N 8.21 4.43 0.00 -1.08 0.41 -1.26 -4.81 118.70 124.60 1iru s GLU 199 Ca 1.17 1.64 0.00 0.00 -0.41 0.00 0.00 54.97 57.37 1iru s GLU 199 Cb -0.65 -3.45 0.00 0.00 -1.78 0.00 0.00 34.13 28.25 1iru s GLU 199 CO 0.37 -0.28 0.00 0.41 -0.49 0.00 0.00 175.26 175.27 1iru n GLY 200 N 3.20 0.24 3.36 -1.39 0.00 -1.26 -4.88 105.19 104.45 1iru n GLY 200 Ca 0.09 -2.26 -0.46 0.00 0.00 0.00 0.00 46.02 43.39 1iru n GLY 200 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1iru s GLN 201 N 0.00 3.90 -0.70 1.61 0.00 -1.26 -5.00 119.66 118.21 1iru s GLN 201 Ca 0.00 -2.72 -0.26 0.00 -0.00 0.00 0.00 55.36 52.38 1iru s GLN 201 Cb 0.00 -4.59 -0.12 0.00 0.00 0.00 0.00 33.01 28.30 1iru s GLN 201 CO 0.00 -1.36 2.40 1.41 0.00 0.00 0.00 175.29 177.74 1iru s MET 202 N -0.03 1.76 0.00 9.60 0.00 -1.26 -4.90 119.30 124.46 1iru s MET 202 Ca 0.27 0.76 0.00 0.00 0.00 0.00 0.00 55.69 56.72 1iru s MET 202 Cb -0.09 -4.72 0.00 0.00 0.00 0.00 0.00 34.83 30.02 1iru s MET 202 CO -0.08 -4.09 0.00 0.25 0.00 0.00 0.00 175.02 171.10 1iru n THR 203 N 8.54 0.00 1.51 10.11 -2.24 -1.26 -4.97 114.28 125.97 1iru n THR 203 Ca 0.44 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.34 1iru n THR 203 Cb 0.47 -1.08 0.53 0.00 -2.10 0.00 0.00 70.33 68.15 1iru n THR 203 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iru n GLU 204 N 0.00 1.56 0.00 -0.78 0.28 -1.26 -3.44 120.64 117.00 1iru n GLU 204 Ca 0.00 -0.82 0.00 0.00 -0.16 0.00 0.00 57.16 56.18 1iru n GLU 204 Cb 0.00 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.43 1iru n GLU 204 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1iru n ASP 205 N 0.01 0.72 0.00 -1.84 8.00 -1.26 -4.52 116.55 117.67 1iru n ASP 205 Ca 0.18 -0.93 0.11 0.00 0.71 0.00 0.00 54.79 54.87 1iru n ASP 205 Cb 0.30 0.10 0.07 0.00 -0.02 0.00 0.00 41.12 41.57 1iru n ASP 205 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1iru n ASN 206 N -0.10 0.72 -4.27 -2.24 5.03 -1.22 -4.69 115.26 108.49 1iru n ASN 206 Ca 0.00 -0.57 -0.15 0.00 0.87 0.00 0.00 54.58 54.73 1iru n ASN 206 Cb 0.04 0.63 -0.10 0.00 -1.02 0.00 0.00 39.78 39.32 1iru n ASN 206 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1iru s ILE 207 N -3.02 0.42 -0.17 2.41 -4.36 -1.25 -0.46 121.20 114.78 1iru s ILE 207 Ca 0.09 -1.99 -0.11 0.00 -0.26 0.00 0.00 60.65 58.37 1iru s ILE 207 Cb 0.17 -2.48 0.05 0.00 1.25 0.00 0.00 42.46 41.45 1iru s ILE 207 CO 0.78 -0.11 0.43 -0.70 0.24 0.00 0.00 174.94 175.58 1iru s GLU 208 N -4.04 0.44 0.03 0.37 2.12 -1.19 -4.79 118.70 111.63 1iru s GLU 208 Ca 0.35 0.74 0.01 0.00 0.36 0.00 0.00 54.97 56.43 1iru s GLU 208 Cb 0.07 0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.52 1iru s GLU 208 CO 0.11 -0.12 -0.06 0.14 -0.54 0.00 0.00 175.26 174.79 1iru s VAL 209 N 1.00 0.36 0.05 3.70 -7.23 -1.26 -2.69 120.40 114.33 1iru s VAL 209 Ca -0.06 -0.97 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 1iru s VAL 209 Cb -0.06 -0.46 -0.03 0.00 0.56 0.00 0.00 36.38 36.39 1iru s VAL 209 CO -0.08 -0.41 -0.07 -0.83 -0.31 0.00 0.00 175.10 173.40 1iru s GLY 210 N -1.47 0.53 0.09 2.32 0.00 -0.15 -0.47 107.32 108.17 1iru s GLY 210 Ca -0.12 -0.89 0.06 0.00 0.00 0.00 0.00 44.72 43.77 1iru s GLY 210 CO -0.00 -0.96 -0.15 -0.26 0.00 0.00 0.00 173.10 171.73 1iru s ILE 211 N -1.96 1.26 -0.34 0.90 -4.36 -0.16 -0.89 121.20 115.65 1iru s ILE 211 Ca -0.05 -1.43 -0.00 0.00 -0.26 0.00 0.00 60.65 58.90 1iru s ILE 211 Cb -0.06 -1.25 0.11 0.00 1.25 0.00 0.00 42.46 42.51 1iru s ILE 211 CO -0.01 -0.23 0.13 0.00 0.24 0.00 0.00 174.94 175.06 1iru s ASN 213 N 1.32 5.29 0.00 0.00 4.22 -1.07 -1.46 114.94 123.24 1iru s ASN 213 Ca 0.12 -0.69 0.00 0.00 -2.14 0.00 0.00 52.86 50.15 1iru s ASN 213 Cb -0.19 -0.22 0.00 0.00 1.28 0.00 0.00 41.25 42.12 1iru s ASN 213 CO -0.18 -0.98 1.31 -0.62 -2.04 0.00 0.00 177.10 174.59 1iru n GLU 214 N -1.94 0.66 -2.41 3.55 -0.58 -1.26 -2.60 120.64 116.07 1iru n GLU 214 Ca 0.09 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.81 1iru n GLU 214 Cb 0.61 -1.17 0.08 0.00 -0.57 0.00 0.00 31.44 30.38 1iru n GLU 214 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iru n ALA 215 N 1.65 2.91 0.00 0.62 0.00 -1.26 -5.06 120.51 119.37 1iru n ALA 215 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1iru n ALA 215 Cb 0.33 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1iru n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iru n GLY 216 N -0.97 1.65 3.44 0.00 0.00 -1.07 -5.04 105.19 103.20 1iru n GLY 216 Ca -0.12 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.62 1iru n GLY 216 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iru s PHE 217 N -2.36 2.58 0.22 1.61 5.36 -0.86 -2.61 117.98 121.93 1iru s PHE 217 Ca 0.00 -0.25 -0.19 0.00 -0.96 0.00 0.00 56.93 55.53 1iru s PHE 217 Cb 0.00 -1.54 0.03 0.00 -0.34 0.00 0.00 43.02 41.17 1iru s PHE 217 CO 0.00 0.18 0.60 -0.98 -1.46 0.00 0.00 175.22 173.56 1iru s ARG 218 N -1.02 1.52 -0.10 10.12 1.70 -0.76 -4.86 118.95 125.54 1iru s ARG 218 Ca 0.13 -0.87 -0.06 0.00 -0.47 0.00 0.00 55.73 54.46 1iru s ARG 218 Cb -0.10 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 1iru s ARG 218 CO 0.02 -0.67 0.12 0.50 -1.08 0.00 0.00 175.30 174.20 1iru s ARG 219 N -3.88 3.36 0.17 3.89 3.52 -1.26 -0.99 118.95 123.76 1iru s ARG 219 Ca 0.09 -0.19 -0.23 0.00 -0.13 0.00 0.00 55.73 55.27 1iru s ARG 219 Cb -0.03 -3.11 -0.08 0.00 -1.56 0.00 0.00 34.95 30.17 1iru s ARG 219 CO -0.00 0.76 0.74 -0.51 -0.81 0.00 0.00 175.30 175.47 1iru s LEU 220 N -1.09 4.51 0.75 -0.88 1.43 0.37 -4.96 118.68 118.82 1iru s LEU 220 Ca 0.16 1.54 -0.11 0.00 -1.03 0.00 0.00 54.13 54.69 1iru s LEU 220 Cb -0.12 -3.34 0.04 0.00 0.03 0.00 0.00 46.19 42.81 1iru s LEU 220 CO 0.05 0.17 1.08 0.42 0.23 0.00 0.00 176.35 178.29 1iru s THR 221 N -1.25 3.53 0.55 5.49 -4.23 -1.26 -4.66 115.64 113.81 1iru s THR 221 Ca 0.37 0.50 0.28 0.00 -1.18 0.00 0.00 61.69 61.65 1iru s THR 221 Cb -0.21 -3.21 0.41 0.00 1.34 0.00 0.00 72.50 70.83 1iru s THR 221 CO 0.24 -0.65 1.96 -0.65 -0.54 0.00 0.00 174.62 174.98 1iru h PRO 222 N -0.94 0.00 0.00 3.99 0.11 -1.97 -1.18 132.00 132.01 1iru h PRO 222 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1iru h PRO 222 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1iru h PRO 222 CO 0.57 0.00 0.00 2.41 -0.21 0.00 0.00 178.00 180.77 1iru n THR 223 N -4.15 0.00 0.29 -1.15 -1.04 -1.26 0.45 114.28 107.42 1iru n THR 223 Ca 0.10 1.13 0.08 0.00 -2.04 0.00 0.00 64.05 63.32 1iru n THR 223 Cb 0.66 -2.06 0.43 0.00 -1.82 0.00 0.00 70.33 67.55 1iru n THR 223 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1iru h GLU 224 N 0.00 0.00 0.00 -2.82 5.08 -1.85 0.21 114.58 115.20 1iru h GLU 224 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1iru h GLU 224 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1iru h GLU 224 CO 0.00 0.00 -0.32 -0.39 -1.00 0.00 0.00 179.01 177.30 1iru h VAL 225 N 0.00 0.78 -1.00 3.13 -1.51 -1.01 -3.06 116.25 113.58 1iru h VAL 225 Ca 0.00 -1.68 0.27 0.00 -1.23 0.00 0.00 66.70 64.06 1iru h VAL 225 Cb 1.12 1.56 -0.06 0.00 -2.13 0.00 0.00 31.29 31.78 1iru h VAL 225 CO 0.00 0.26 0.69 0.07 -1.23 0.00 0.00 177.57 177.36 1iru h LYS 226 N -1.00 0.18 0.00 5.19 -0.00 0.31 -1.66 116.57 119.60 1iru h LYS 226 Ca -0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.57 1iru h LYS 226 Cb 0.67 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 32.86 1iru h LYS 226 CO -0.04 0.12 0.00 -0.25 -0.00 0.00 0.00 179.45 179.28 1iru n ASP 227 N -4.40 0.00 -0.37 7.07 9.92 -0.48 -3.21 116.55 125.08 1iru n ASP 227 Ca 0.22 0.61 0.37 0.00 -0.53 0.00 0.00 54.79 55.46 1iru n ASP 227 Cb 0.95 -0.27 0.62 0.00 -0.64 0.00 0.00 41.12 41.79 1iru n ASP 227 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1iru h TYR 228 N 0.00 0.00 -0.36 1.24 -1.99 -1.38 0.29 116.97 114.76 1iru h TYR 228 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1iru h TYR 228 Cb 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 1iru h TYR 228 CO 0.08 0.00 0.24 -0.07 -0.00 0.00 0.00 178.16 178.41 1iru h LEU 229 N 0.00 0.42 -2.01 3.88 3.38 -1.28 -2.93 115.31 116.77 1iru h LEU 229 Ca 0.63 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.59 1iru h LEU 229 Cb 3.03 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 43.68 1iru h LEU 229 CO -0.01 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.82 1iru n ALA 230 N -2.20 1.51 -3.06 1.53 0.00 0.10 -4.54 120.51 113.86 1iru n ALA 230 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1iru n ALA 230 Cb 0.02 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 18.51 1iru n ALA 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iru n ALA 231 N 1.00 -0.98 -2.33 0.00 0.00 -1.14 -4.84 120.51 112.22 1iru n ALA 231 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1iru n ALA 231 Cb 0.01 -4.01 0.00 0.00 0.00 0.00 0.00 19.45 15.45 1iru n ALA 231 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1iru n ILE 232 N -4.55 0.00 -0.94 0.00 -5.35 -1.12 -5.11 119.36 102.29 1iru n ILE 232 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1iru n ILE 232 Cb 0.61 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 1iru n ILE 232 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79