#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iku s ASN 3 N 0.00 3.63 0.21 1.61 0.01 -1.26 -5.00 114.94 114.13 1iku s ASN 3 Ca 0.00 -0.77 0.19 0.00 -0.71 0.00 0.00 52.86 51.57 1iku s ASN 3 Cb 0.00 -0.37 0.86 0.00 0.41 0.00 0.00 41.25 42.15 1iku s ASN 3 CO 0.00 0.13 1.57 -1.20 -1.51 0.00 0.00 177.10 176.09 1iku n SER 4 N 0.34 0.45 0.02 -1.22 7.64 -1.26 -1.95 113.62 117.64 1iku n SER 4 Ca -0.13 0.65 -0.10 0.00 1.01 0.00 0.00 58.87 60.30 1iku n SER 4 Cb 0.55 -0.73 -0.13 0.00 -1.01 0.00 0.00 64.21 62.89 1iku n SER 4 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1iku h LYS 5 N 0.00 0.05 0.00 1.43 3.64 -1.96 -3.29 116.57 116.44 1iku h LYS 5 Ca 0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1iku h LYS 5 Cb 0.19 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1iku h LYS 5 CO 0.00 0.78 0.20 0.43 -2.27 0.00 0.00 179.45 178.59 1iku n SER 6 N -3.22 0.18 0.08 4.20 7.64 -0.82 0.33 113.62 122.01 1iku n SER 6 Ca -0.12 0.46 -0.12 0.00 1.01 0.00 0.00 58.87 60.10 1iku n SER 6 Cb 1.02 -0.45 -0.13 0.00 -1.01 0.00 0.00 64.21 63.64 1iku n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1iku h GLY 7 N 0.00 0.16 0.41 0.23 0.00 -1.71 -3.16 103.07 99.00 1iku h GLY 7 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1iku h GLY 7 CO 0.00 0.36 -0.08 0.00 0.00 0.00 0.00 176.54 176.82 1iku h ALA 8 N 0.79 0.03 -0.72 3.60 0.00 -0.34 -2.04 119.26 120.58 1iku h ALA 8 Ca -0.07 -0.36 0.17 0.00 0.00 0.00 0.00 54.91 54.64 1iku h ALA 8 Cb 1.86 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 1iku h ALA 8 CO 0.17 -0.08 0.49 -0.07 0.00 0.00 0.00 179.25 179.76 1iku h LEU 9 N -0.55 0.21 0.01 0.00 3.38 -1.64 -1.78 115.31 114.94 1iku h LEU 9 Ca -0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1iku h LEU 9 Cb 0.75 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1iku h LEU 9 CO 0.02 0.10 -0.17 -1.28 0.09 0.00 0.00 178.44 177.20 1iku h SER 10 N 0.22 0.13 -0.77 -0.43 0.87 -1.51 -2.82 113.55 109.25 1iku h SER 10 Ca 0.35 -0.84 0.17 0.00 -1.23 0.00 0.00 61.79 60.25 1iku h SER 10 Cb 1.05 -0.04 -0.14 0.00 -0.44 0.00 0.00 62.40 62.84 1iku h SER 10 CO -0.07 0.95 -0.04 0.50 -0.53 0.00 0.00 176.83 177.65 1iku h LYS 11 N -0.68 0.07 0.00 2.24 3.64 -0.58 0.60 116.57 121.88 1iku h LYS 11 Ca -0.02 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1iku h LYS 11 Cb 0.99 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1iku h LYS 11 CO 0.03 0.05 -0.00 1.49 -2.27 0.00 0.00 179.45 178.75 1iku h GLU 12 N 0.07 -0.00 0.25 1.90 4.22 -1.55 -2.00 114.58 117.47 1iku h GLU 12 Ca 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.84 1iku h GLU 12 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1iku h GLU 12 CO -0.70 0.26 -0.12 0.82 -2.18 0.00 0.00 179.01 177.09 1iku h ILE 13 N -0.27 0.00 -1.18 2.32 2.04 -0.82 -0.62 117.51 118.98 1iku h ILE 13 Ca -0.00 -0.03 0.39 0.00 1.00 0.00 0.00 64.86 66.22 1iku h ILE 13 Cb 0.27 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.21 1iku h ILE 13 CO 0.00 0.00 0.73 -0.07 0.00 0.00 0.00 178.15 178.81 1iku h LEU 14 N -0.37 0.33 -0.16 1.44 3.38 0.01 0.40 115.31 120.34 1iku h LEU 14 Ca -0.03 0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1iku h LEU 14 Cb 0.26 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1iku h LEU 14 CO 0.06 -0.18 -0.17 -0.08 0.09 0.00 0.00 178.44 178.15 1iku h GLU 15 N 0.15 0.40 -0.20 1.13 4.81 -1.18 -3.11 114.58 116.59 1iku h GLU 15 Ca 0.78 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.76 1iku h GLU 15 Cb 2.24 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.62 1iku h GLU 15 CO -0.49 0.78 -0.02 1.49 -0.73 0.00 0.00 179.01 180.04 1iku h GLU 16 N 0.04 0.29 0.00 1.92 4.81 0.13 -3.26 114.58 118.52 1iku h GLU 16 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1iku h GLU 16 Cb 0.72 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1iku h GLU 16 CO 0.04 0.34 0.00 -0.11 -0.73 0.00 0.00 179.01 178.55 1iku n LEU 17 N -4.35 0.00 0.00 1.64 0.00 -0.27 -4.84 117.00 109.18 1iku n LEU 17 Ca -0.00 0.73 0.00 0.00 0.00 0.00 0.00 56.01 56.74 1iku n LEU 17 Cb 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 43.42 43.39 1iku n LEU 17 CO 0.37 -0.23 0.00 1.67 0.00 0.00 0.00 177.39 179.19 1iku n GLN 18 N -1.74 0.00 0.00 1.96 7.27 -1.23 -5.13 117.38 118.51 1iku n GLN 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1iku n GLN 18 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1iku n GLN 18 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1iku n LEU 19 N 0.00 0.00 -3.32 1.69 4.77 -1.25 -5.02 117.00 113.86 1iku n LEU 19 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1iku n LEU 19 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1iku n LEU 19 CO 0.00 -0.11 0.63 0.21 -1.33 0.00 0.00 177.39 176.79 1iku s ASN 20 N -1.31 -0.52 -0.10 -1.43 2.47 -1.26 -4.82 114.94 107.96 1iku s ASN 20 Ca 0.00 0.63 -0.05 0.00 0.42 0.00 0.00 52.86 53.86 1iku s ASN 20 Cb 0.00 1.56 0.05 0.00 -1.45 0.00 0.00 41.25 41.41 1iku s ASN 20 CO 0.00 -0.10 0.23 0.28 -3.72 0.00 0.00 177.10 173.79 1iku s THR 21 N 2.50 -0.11 -1.59 -5.21 -1.32 -1.26 -4.44 115.64 104.22 1iku s THR 21 Ca -0.01 0.18 0.12 0.00 -1.21 0.00 0.00 61.69 60.77 1iku s THR 21 Cb -0.06 -0.36 0.42 0.00 -1.51 0.00 0.00 72.50 70.98 1iku s THR 21 CO -0.16 0.08 1.30 2.29 -2.21 0.00 0.00 174.62 175.91 1iku n LYS 22 N 4.45 2.40 -2.27 7.08 -0.00 -1.26 -4.88 118.16 123.68 1iku n LYS 22 Ca -0.22 -1.67 -0.43 0.00 -0.00 0.00 0.00 58.31 55.99 1iku n LYS 22 Cb 0.52 -1.52 -0.02 0.00 -0.00 0.00 0.00 35.03 34.01 1iku n LYS 22 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1iku s PHE 23 N -1.59 2.43 1.17 5.58 0.40 -1.26 -4.98 117.98 119.72 1iku s PHE 23 Ca 0.30 0.71 -0.15 0.00 -0.60 0.00 0.00 56.93 57.20 1iku s PHE 23 Cb 0.18 -3.88 0.23 0.00 0.51 0.00 0.00 43.02 40.07 1iku s PHE 23 CO 0.17 -2.34 0.67 -2.37 0.70 0.00 0.00 175.22 172.05 1iku n THR 24 N 6.11 0.00 0.21 0.64 5.66 -1.26 -4.76 114.28 120.88 1iku n THR 24 Ca 0.16 -0.41 0.05 0.00 -3.05 0.00 0.00 64.05 60.80 1iku n THR 24 Cb 0.45 -0.86 0.49 0.00 -1.55 0.00 0.00 70.33 68.86 1iku n THR 24 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1iku h GLU 25 N -2.51 0.02 -0.53 1.09 -0.00 -1.94 -2.24 114.58 108.46 1iku h GLU 25 Ca -0.60 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 58.73 1iku h GLU 25 Cb 1.34 -0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 30.07 1iku h GLU 25 CO 0.46 0.20 0.20 0.93 -0.00 0.00 0.00 179.01 180.80 1iku h GLU 26 N 0.02 0.77 0.21 1.06 5.08 -1.89 -0.40 114.58 119.44 1iku h GLU 26 Ca 0.00 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1iku h GLU 26 Cb 0.34 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1iku h GLU 26 CO 0.02 0.64 -0.10 0.93 -1.00 0.00 0.00 179.01 179.50 1iku h GLU 27 N 0.76 -0.28 -0.07 2.33 4.39 -1.72 -1.88 114.58 118.11 1iku h GLU 27 Ca 0.18 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 1iku h GLU 27 Cb 0.17 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1iku h GLU 27 CO -0.02 0.03 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.75 1iku h LEU 28 N -0.60 0.09 -0.09 1.33 3.38 -1.46 0.74 115.31 118.70 1iku h LEU 28 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1iku h LEU 28 Cb 0.44 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1iku h LEU 28 CO 0.05 0.15 0.02 -1.28 0.09 0.00 0.00 178.44 177.47 1iku h SER 29 N 0.10 0.14 -0.24 -0.43 0.87 -0.86 0.35 113.55 113.48 1iku h SER 29 Ca 0.02 -0.23 -0.12 0.00 -1.23 0.00 0.00 61.79 60.23 1iku h SER 29 Cb 0.15 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1iku h SER 29 CO 0.01 0.34 -0.32 -1.28 -0.53 0.00 0.00 176.83 175.05 1iku h SER 30 N -0.06 0.70 0.48 6.23 0.87 -0.89 -2.78 113.55 118.09 1iku h SER 30 Ca 0.03 -0.51 -0.02 0.00 -1.23 0.00 0.00 61.79 60.06 1iku h SER 30 Cb 0.25 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1iku h SER 30 CO 0.00 1.06 -0.23 -0.25 -0.53 0.00 0.00 176.83 176.88 1iku h TRP 31 N 0.35 -0.60 -0.14 2.24 7.01 -0.84 -0.71 115.95 123.26 1iku h TRP 31 Ca 0.03 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.03 1iku h TRP 31 Cb 0.90 0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 28.12 1iku h TRP 31 CO 0.08 -0.28 -0.28 -0.92 -2.79 0.00 0.00 178.44 174.25 1iku h TYR 32 N -0.90 -0.84 0.04 2.65 3.20 -0.38 1.69 116.97 122.43 1iku h TYR 32 Ca -0.07 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.87 1iku h TYR 32 Cb 0.59 0.39 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 1iku h TYR 32 CO 0.00 -0.26 -0.22 1.96 -1.64 0.00 0.00 178.16 178.00 1iku h GLN 33 N -0.25 -0.36 0.00 1.82 1.08 -1.58 0.67 115.11 116.50 1iku h GLN 33 Ca 0.03 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1iku h GLN 33 Cb 0.32 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1iku h GLN 33 CO -0.26 -0.24 -0.00 0.66 -0.95 0.00 0.00 178.83 178.03 1iku h SER 34 N -0.37 0.00 0.00 1.46 4.64 -0.72 -1.03 113.55 117.53 1iku h SER 34 Ca 0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1iku h SER 34 Cb 0.43 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1iku h SER 34 CO -0.17 0.00 -0.12 0.15 -0.87 0.00 0.00 176.83 175.82 1iku h PHE 35 N 0.00 0.00 0.00 4.77 3.57 0.44 -2.75 116.94 122.98 1iku h PHE 35 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1iku h PHE 35 Cb 0.12 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1iku h PHE 35 CO 0.00 0.98 0.00 1.28 -2.23 0.00 0.00 178.31 178.34 1iku n LEU 36 N -4.60 0.65 0.01 0.59 4.77 0.03 -2.28 117.00 116.18 1iku n LEU 36 Ca -0.11 0.70 -0.18 0.00 -0.03 0.00 0.00 56.01 56.39 1iku n LEU 36 Cb 0.47 -0.66 -0.14 0.00 -2.33 0.00 0.00 43.42 40.76 1iku n LEU 36 CO 0.30 -0.69 0.16 0.50 -1.33 0.00 0.00 177.39 176.34 1iku h LYS 37 N 0.00 0.20 -0.97 3.23 3.64 -1.21 -3.30 116.57 118.16 1iku h LYS 37 Ca 0.00 -0.34 0.08 0.00 -1.27 0.00 0.00 60.65 59.12 1iku h LYS 37 Cb 0.26 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.14 1iku h LYS 37 CO 0.00 1.16 0.63 0.93 -2.27 0.00 0.00 179.45 179.90 1iku h GLU 38 N -0.57 1.04 -7.49 1.90 3.07 -1.14 -3.42 114.58 107.96 1iku h GLU 38 Ca -0.09 -0.06 -0.48 0.00 -0.50 0.00 0.00 59.36 58.22 1iku h GLU 38 Cb 1.43 -0.23 0.10 0.00 -0.84 0.00 0.00 28.75 29.21 1iku h GLU 38 CO 0.10 0.68 0.37 0.00 -1.40 0.00 0.00 179.01 178.77 1iku h PRO 40 N -1.02 0.31 0.00 0.00 0.11 -1.82 -3.42 132.00 126.16 1iku h PRO 40 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1iku h PRO 40 Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1iku h PRO 40 CO 0.63 0.21 0.00 0.45 -0.21 0.00 0.00 178.00 179.07 1iku n SER 41 N -4.46 0.00 0.00 -2.05 2.88 -1.26 -4.99 113.62 103.74 1iku n SER 41 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1iku n SER 41 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1iku n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iku n GLY 42 N -0.26 0.00 3.60 0.46 0.00 -1.26 -4.86 105.19 102.87 1iku n GLY 42 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1iku n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iku s ARG 43 N 0.00 3.92 0.25 1.61 0.52 -1.26 -1.81 118.95 122.18 1iku s ARG 43 Ca 0.00 0.35 0.10 0.00 -0.52 0.00 0.00 55.73 55.67 1iku s ARG 43 Cb 0.00 -3.72 -0.05 0.00 0.52 0.00 0.00 34.95 31.70 1iku s ARG 43 CO 0.00 -0.58 -0.18 0.96 0.02 0.00 0.00 175.30 175.52 1iku s ILE 44 N 2.65 2.19 0.44 1.52 -4.36 -0.52 -4.76 121.20 118.37 1iku s ILE 44 Ca 0.26 -2.32 0.08 0.00 -0.26 0.00 0.00 60.65 58.41 1iku s ILE 44 Cb -0.15 -2.19 0.01 0.00 1.25 0.00 0.00 42.46 41.38 1iku s ILE 44 CO 0.12 -0.46 0.53 0.42 0.24 0.00 0.00 174.94 175.78 1iku s THR 45 N -2.65 2.72 0.06 8.37 -4.23 -1.26 -0.96 115.64 117.69 1iku s THR 45 Ca 0.27 -1.14 -0.23 0.00 -1.18 0.00 0.00 61.69 59.41 1iku s THR 45 Cb -0.04 -2.85 -0.16 0.00 1.34 0.00 0.00 72.50 70.80 1iku s THR 45 CO 0.12 0.00 1.62 0.08 -0.54 0.00 0.00 174.62 175.90 1iku h ARG 46 N 0.72 0.03 -0.55 3.99 0.11 -1.99 -0.61 114.38 116.07 1iku h ARG 46 Ca -0.39 -0.00 0.16 0.00 0.10 0.00 0.00 59.98 59.85 1iku h ARG 46 Cb 1.28 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.33 1iku h ARG 46 CO 0.49 0.15 0.65 1.96 0.10 0.00 0.00 179.97 183.31 1iku h GLN 47 N -0.10 0.00 0.12 0.08 4.20 -1.99 0.19 115.11 117.62 1iku h GLN 47 Ca 0.01 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.36 1iku h GLN 47 Cb 0.13 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1iku h GLN 47 CO -0.00 0.00 -1.96 0.93 -0.67 0.00 0.00 178.83 177.13 1iku h GLU 48 N 0.00 0.26 0.28 1.46 5.08 -1.75 -3.33 114.58 116.57 1iku h GLU 48 Ca 0.26 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1iku h GLU 48 Cb 1.55 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1iku h GLU 48 CO -0.00 1.18 -0.13 0.35 -1.00 0.00 0.00 179.01 179.40 1iku h PHE 49 N 0.07 -0.35 -1.00 4.33 3.04 0.84 -1.24 116.94 122.64 1iku h PHE 49 Ca -0.41 -0.01 0.24 0.00 3.98 0.00 0.00 57.97 61.77 1iku h PHE 49 Cb 2.04 0.11 -0.09 0.00 2.56 0.00 0.00 35.95 40.58 1iku h PHE 49 CO 0.07 -0.14 0.65 0.37 -2.02 0.00 0.00 178.31 177.24 1iku h GLN 50 N -0.48 0.41 -0.21 1.11 -0.00 -1.32 0.39 115.11 115.01 1iku h GLN 50 Ca -0.04 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.65 58.44 1iku h GLN 50 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.75 1iku h GLN 50 CO 0.06 0.27 -0.43 1.15 0.00 0.00 0.00 178.83 179.88 1iku h THR 51 N 0.43 1.32 0.00 2.39 2.02 -1.55 -2.49 112.91 115.02 1iku h THR 51 Ca 0.55 -1.66 -0.08 0.00 0.77 0.00 0.00 66.41 66.00 1iku h THR 51 Cb 1.36 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 69.60 1iku h THR 51 CO -0.26 0.52 -0.36 0.40 0.37 0.00 0.00 175.52 176.19 1iku h ILE 52 N 0.35 0.90 -0.09 3.11 2.04 0.31 -2.14 117.51 121.98 1iku h ILE 52 Ca 0.00 -1.44 -0.19 0.00 1.00 0.00 0.00 64.86 64.24 1iku h ILE 52 Cb 1.04 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1iku h ILE 52 CO 0.10 0.35 -0.73 0.22 0.00 0.00 0.00 178.15 178.09 1iku h TYR 53 N 0.00 0.60 0.00 1.37 3.20 -0.27 -2.42 116.97 119.46 1iku h TYR 53 Ca -0.00 -0.26 -0.08 0.00 3.14 0.00 0.00 58.73 61.52 1iku h TYR 53 Cb 0.84 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 1iku h TYR 53 CO 0.00 1.03 -0.39 0.77 -1.64 0.00 0.00 178.16 177.93 1iku h SER 54 N 0.31 0.00 0.03 -2.11 0.02 -1.27 -1.72 113.55 108.81 1iku h SER 54 Ca -0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1iku h SER 54 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1iku h SER 54 CO 0.13 0.39 -0.02 0.50 -1.14 0.00 0.00 176.83 176.69 1iku h LYS 55 N 0.00 -0.04 0.00 3.45 3.64 -1.31 -2.32 116.57 119.99 1iku h LYS 55 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1iku h LYS 55 Cb 1.27 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1iku h LYS 55 CO 0.05 0.65 0.00 0.74 -2.27 0.00 0.00 179.45 178.62 1iku h PHE 56 N -0.86 0.00 -1.89 1.91 0.04 -1.55 -3.37 116.94 111.23 1iku h PHE 56 Ca -0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.23 1iku h PHE 56 Cb 0.71 0.00 -0.36 0.00 2.20 0.00 0.00 35.95 38.50 1iku h PHE 56 CO 0.18 0.00 -1.03 1.19 -0.60 0.00 0.00 178.31 178.05 1iku n PHE 57 N -2.75 -0.78 -0.11 -0.55 3.72 -0.64 -4.13 117.46 112.22 1iku n PHE 57 Ca 0.04 -3.33 -0.10 0.00 -0.05 0.00 0.00 57.45 54.01 1iku n PHE 57 Cb 0.44 -0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 38.91 1iku n PHE 57 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1iku h PRO 58 N 4.32 0.50 -3.90 -1.08 0.14 -1.59 -3.31 132.00 127.08 1iku h PRO 58 Ca 0.09 -0.10 -0.76 0.00 0.14 0.00 0.00 66.00 65.37 1iku h PRO 58 Cb 0.90 -0.08 -0.20 0.00 0.14 0.00 0.00 31.00 31.76 1iku h PRO 58 CO 0.42 0.51 1.34 -1.91 0.14 0.00 0.00 178.00 178.50 1iku n GLU 59 N -4.70 3.64 -0.25 0.86 2.13 -1.26 -4.24 120.64 116.82 1iku n GLU 59 Ca -0.01 -3.95 0.00 0.00 0.66 0.00 0.00 57.16 53.85 1iku n GLU 59 Cb 0.15 -2.85 0.00 0.00 0.27 0.00 0.00 31.44 29.01 1iku n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iku n ALA 60 N 3.98 1.31 -1.27 4.31 0.00 -1.24 -4.74 120.51 122.86 1iku n ALA 60 Ca 0.34 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.83 1iku n ALA 60 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 1iku n ALA 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iku n ASP 61 N 0.00 -6.85 -0.26 0.00 2.03 -1.26 -3.81 116.55 106.40 1iku n ASP 61 Ca 0.00 1.45 -0.05 0.00 0.52 0.00 0.00 54.79 56.71 1iku n ASP 61 Cb 0.41 -4.06 0.08 0.00 -0.72 0.00 0.00 41.12 36.83 1iku n ASP 61 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1iku h PRO 62 N -0.27 1.14 -2.08 -0.67 0.13 -1.93 -3.34 132.00 124.98 1iku h PRO 62 Ca -0.05 -0.22 -0.57 0.00 -0.87 0.00 0.00 66.00 64.29 1iku h PRO 62 Cb 0.91 -0.18 -0.40 0.00 0.13 0.00 0.00 31.00 31.46 1iku h PRO 62 CO 0.02 0.94 -0.92 1.63 -0.23 0.00 0.00 178.00 179.45 1iku n LYS 63 N -4.27 1.49 0.00 0.86 5.02 -1.26 -4.85 118.16 115.15 1iku n LYS 63 Ca 0.07 -3.82 0.00 0.00 -2.02 0.00 0.00 58.31 52.54 1iku n LYS 63 Cb 0.20 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 1iku n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iku n ALA 64 N 1.03 0.00 -0.02 7.82 0.00 -1.25 -4.70 120.51 123.39 1iku n ALA 64 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.68 1iku n ALA 64 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 1iku n ALA 64 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1iku h TYR 65 N 0.00 0.00 0.00 0.00 3.20 -1.92 -3.36 116.97 114.89 1iku h TYR 65 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1iku h TYR 65 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1iku h TYR 65 CO 0.00 0.00 0.28 0.00 -1.64 0.00 0.00 178.16 176.80 1iku n ALA 66 N -2.55 0.43 -0.10 1.82 0.00 -1.26 -1.58 120.51 117.26 1iku n ALA 66 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 1iku n ALA 66 Cb 0.06 -0.42 0.01 0.00 0.00 0.00 0.00 19.45 19.10 1iku n ALA 66 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1iku h GLN 67 N 0.00 0.17 -0.21 0.00 5.75 -1.84 -1.31 115.11 117.67 1iku h GLN 67 Ca 0.00 -0.01 -0.17 0.00 -0.15 0.00 0.00 58.65 58.32 1iku h GLN 67 Cb 0.57 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.07 1iku h GLN 67 CO 0.00 0.11 -0.54 1.12 -2.65 0.00 0.00 178.83 176.87 1iku h HIS 68 N 0.18 0.79 0.19 3.99 2.07 -1.55 -2.81 115.15 118.01 1iku h HIS 68 Ca 0.16 -0.28 -0.01 0.00 -2.85 0.00 0.00 60.37 57.39 1iku h HIS 68 Cb 0.18 -0.15 0.00 0.00 2.57 0.00 0.00 27.41 30.02 1iku h HIS 68 CO -0.19 1.03 -0.09 0.28 -3.07 0.00 0.00 177.93 175.90 1iku h VAL 69 N 0.48 0.00 -0.91 6.12 2.07 -1.57 -1.31 116.25 121.13 1iku h VAL 69 Ca 0.01 -0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.78 1iku h VAL 69 Cb 1.10 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.71 1iku h VAL 69 CO 0.11 0.00 0.13 0.15 0.02 0.00 0.00 177.57 177.98 1iku h PHE 70 N -0.25 0.16 -0.20 1.57 3.04 -1.37 0.35 116.94 120.24 1iku h PHE 70 Ca -0.03 0.06 0.05 0.00 3.98 0.00 0.00 57.97 62.03 1iku h PHE 70 Cb 0.19 0.08 -0.05 0.00 2.56 0.00 0.00 35.95 38.73 1iku h PHE 70 CO 0.19 -0.32 -0.14 -0.09 -2.02 0.00 0.00 178.31 175.92 1iku h ARG 71 N 0.10 -0.14 -1.05 1.11 2.43 -1.31 0.13 114.38 115.65 1iku h ARG 71 Ca 0.57 0.01 0.27 0.00 -0.81 0.00 0.00 59.98 60.02 1iku h ARG 71 Cb 1.17 0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 30.65 1iku h ARG 71 CO -0.77 -0.09 0.66 0.77 -1.51 0.00 0.00 179.97 179.02 1iku h SER 72 N -0.14 0.49 0.90 -3.80 0.02 0.89 0.74 113.55 112.65 1iku h SER 72 Ca 0.12 0.10 -0.18 0.00 -0.84 0.00 0.00 61.79 60.99 1iku h SER 72 Cb 0.32 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1iku h SER 72 CO -0.29 0.07 -0.86 -0.26 -1.14 0.00 0.00 176.83 174.35 1iku h PHE 73 N 0.42 0.00 0.00 3.45 -1.00 -0.60 -3.48 116.94 115.74 1iku h PHE 73 Ca 0.63 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.41 1iku h PHE 73 Cb 1.51 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.07 1iku h PHE 73 CO -0.00 0.86 0.00 -3.47 -1.61 0.00 0.00 178.31 174.09 1iku n ASP 74 N -3.49 0.00 0.00 2.17 -0.08 0.26 -4.42 116.55 110.99 1iku n ASP 74 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1iku n ASP 74 Cb 0.83 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.29 1iku n ASP 74 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iku n ALA 75 N 4.09 0.97 0.33 -1.67 0.00 -1.26 -4.80 120.51 118.17 1iku n ALA 75 Ca 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 53.44 53.16 1iku n ALA 75 Cb 0.00 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.86 1iku n ALA 75 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1iku h ASN 76 N 0.00 0.00 0.00 0.00 2.35 -1.92 -2.68 115.58 113.34 1iku h ASN 76 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1iku h ASN 76 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1iku h ASN 76 CO 0.00 0.00 0.00 -0.24 -1.65 0.00 0.00 177.43 175.54 1iku n SER 77 N -2.66 0.00 0.00 5.81 2.88 -1.26 -4.80 113.62 113.59 1iku n SER 77 Ca -0.01 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 1iku n SER 77 Cb 0.68 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1iku n SER 77 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1iku n ASP 78 N -2.36 0.00 0.00 -3.46 8.00 -1.01 -5.00 116.55 112.71 1iku n ASP 78 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1iku n ASP 78 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1iku n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iku n GLY 79 N -0.51 0.00 3.32 0.44 0.00 -1.23 -5.15 105.19 102.05 1iku n GLY 79 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1iku n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 80 N 0.00 0.51 0.08 2.61 -4.23 -1.26 -4.75 115.64 108.60 1iku s THR 80 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1iku s THR 80 Cb 0.00 -2.62 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 1iku s THR 80 CO 0.00 0.00 -0.12 -1.48 -0.54 0.00 0.00 174.62 172.48 1iku s LEU 81 N -3.31 2.34 0.34 4.79 2.34 -0.13 -4.70 118.68 120.34 1iku s LEU 81 Ca 0.38 -0.70 -0.27 0.00 0.06 0.00 0.00 54.13 53.60 1iku s LEU 81 Cb 0.07 -0.39 -0.09 0.00 -0.56 0.00 0.00 46.19 45.22 1iku s LEU 81 CO 0.14 -0.17 1.07 -0.62 -1.06 0.00 0.00 176.35 175.70 1iku s ASP 82 N -2.06 7.04 -0.04 1.48 2.15 -1.26 -1.44 116.67 122.55 1iku s ASP 82 Ca 0.01 2.14 0.14 0.00 0.43 0.00 0.00 52.55 55.26 1iku s ASP 82 Cb -0.07 -2.61 -0.22 0.00 -0.30 0.00 0.00 42.92 39.73 1iku s ASP 82 CO 0.01 -0.30 0.65 0.33 -0.17 0.00 0.00 175.17 175.70 1iku n PHE 83 N 0.59 0.94 0.33 -5.34 7.35 -0.75 -3.85 117.46 116.74 1iku n PHE 83 Ca 0.02 0.34 -0.13 0.00 -0.76 0.00 0.00 57.45 56.91 1iku n PHE 83 Cb 0.47 -1.16 -0.06 0.00 0.35 0.00 0.00 39.48 39.08 1iku n PHE 83 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1iku h LYS 84 N 0.00 -0.82 -0.93 -4.13 1.57 -1.93 -1.25 116.57 109.08 1iku h LYS 84 Ca -0.28 0.06 0.21 0.00 -1.87 0.00 0.00 60.65 58.76 1iku h LYS 84 Cb 1.96 0.19 -0.07 0.00 0.08 0.00 0.00 32.23 34.39 1iku h LYS 84 CO 0.07 -0.55 0.61 0.93 -0.57 0.00 0.00 179.45 179.95 1iku h GLU 85 N -0.96 0.44 -0.65 3.15 5.08 -1.99 0.17 114.58 119.83 1iku h GLU 85 Ca -0.09 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1iku h GLU 85 Cb 0.65 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1iku h GLU 85 CO 0.14 0.29 0.08 -0.92 -1.00 0.00 0.00 179.01 177.60 1iku h TYR 86 N 0.45 1.16 0.01 4.33 5.03 -1.62 -2.51 116.97 123.82 1iku h TYR 86 Ca 0.50 -0.17 -0.00 0.00 2.58 0.00 0.00 58.73 61.64 1iku h TYR 86 Cb 1.17 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 39.14 1iku h TYR 86 CO -0.00 0.98 -0.01 0.28 -1.32 0.00 0.00 178.16 178.09 1iku h VAL 87 N 1.01 1.22 0.22 1.81 2.07 0.55 -2.75 116.25 120.38 1iku h VAL 87 Ca 0.19 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1iku h VAL 87 Cb 0.47 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1iku h VAL 87 CO 0.02 0.19 -0.37 0.40 0.02 0.00 0.00 177.57 177.83 1iku h ILE 88 N -0.33 0.25 -0.70 4.57 2.04 -1.29 -0.08 117.51 121.97 1iku h ILE 88 Ca -0.00 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.01 1iku h ILE 88 Cb 0.32 0.25 -0.13 0.00 -0.74 0.00 0.00 36.82 36.52 1iku h ILE 88 CO 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 178.07 1iku h ALA 89 N -0.14 0.60 -0.30 1.87 0.00 -1.49 0.20 119.26 120.00 1iku h ALA 89 Ca 0.01 0.25 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1iku h ALA 89 Cb 0.65 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1iku h ALA 89 CO -0.15 -0.42 -0.14 -0.07 0.00 0.00 0.00 179.25 178.47 1iku h LEU 90 N 0.05 0.51 0.00 0.00 4.07 -1.11 -1.89 115.31 116.94 1iku h LEU 90 Ca 0.36 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1iku h LEU 90 Cb 0.59 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1iku h LEU 90 CO -0.67 0.67 0.00 1.41 -1.08 0.00 0.00 178.44 178.78 1iku n HIS 91 N -4.19 0.00 -0.19 1.13 8.25 0.51 -3.76 115.22 116.98 1iku n HIS 91 Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1iku n HIS 91 Cb 0.34 -0.47 0.09 0.00 1.12 0.00 0.00 29.99 31.07 1iku n HIS 91 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1iku h MET 92 N 0.00 0.34 -0.07 -0.41 1.85 -1.11 -0.88 114.93 114.65 1iku h MET 92 Ca 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1iku h MET 92 Cb 0.00 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 31.95 1iku h MET 92 CO 0.00 0.23 0.00 -2.37 -0.40 0.00 0.00 176.91 174.37 1iku n THR 93 N -5.03 0.00 1.05 -0.77 5.66 -0.71 -2.26 114.28 112.22 1iku n THR 93 Ca 0.07 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.19 1iku n THR 93 Cb 0.26 -0.31 0.13 0.00 -1.55 0.00 0.00 70.33 68.86 1iku n THR 93 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1iku n SER 94 N -0.30 2.67 0.00 1.09 7.64 -0.34 -5.01 113.62 119.37 1iku n SER 94 Ca 0.00 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1iku n SER 94 Cb 0.02 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1iku n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iku n ALA 95 N 0.99 0.00 0.00 -0.43 0.00 -0.96 -4.93 120.51 115.18 1iku n ALA 95 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1iku n ALA 95 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1iku n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iku n GLY 96 N 0.00 0.81 3.92 0.00 0.00 -1.26 -4.99 105.19 103.66 1iku n GLY 96 Ca 0.00 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 1iku n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iku s LYS 97 N 0.00 1.63 0.00 1.61 3.01 -1.26 -5.07 119.74 119.66 1iku s LYS 97 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 55.97 54.76 1iku s LYS 97 Cb 0.00 -2.00 0.00 0.00 -1.01 0.00 0.00 37.83 34.82 1iku s LYS 97 CO 0.00 -1.73 0.00 -2.37 0.51 0.00 0.00 175.35 171.76 1iku n THR 98 N -3.32 0.00 -0.39 2.17 5.66 -1.26 -4.31 114.28 112.84 1iku n THR 98 Ca 0.10 0.00 0.35 0.00 -3.05 0.00 0.00 64.05 61.45 1iku n THR 98 Cb 0.60 -0.69 0.54 0.00 -1.55 0.00 0.00 70.33 69.24 1iku n THR 98 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1iku n ASN 99 N -0.93 0.00 -0.02 1.09 2.85 -1.26 0.15 115.26 117.13 1iku n ASN 99 Ca 0.00 0.77 -0.17 0.00 -0.11 0.00 0.00 54.58 55.07 1iku n ASN 99 Cb 0.00 -0.32 -0.08 0.00 1.24 0.00 0.00 39.78 40.61 1iku n ASN 99 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1iku h GLN 100 N 0.00 0.64 -0.08 1.20 4.20 -2.00 -2.79 115.11 116.27 1iku h GLN 100 Ca 0.62 -0.54 -0.13 0.00 0.06 0.00 0.00 58.65 58.65 1iku h GLN 100 Cb 2.96 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 30.85 1iku h GLN 100 CO -0.01 1.16 -0.53 0.87 -0.67 0.00 0.00 178.83 179.66 1iku h LYS 101 N 0.29 0.23 0.33 1.46 6.56 0.12 -3.08 116.57 122.47 1iku h LYS 101 Ca -0.05 -0.14 -0.02 0.00 -1.06 0.00 0.00 60.65 59.38 1iku h LYS 101 Cb 1.30 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.98 1iku h LYS 101 CO 0.14 0.70 -0.16 -0.07 -2.06 0.00 0.00 179.45 178.00 1iku h LEU 102 N 0.18 -0.37 -0.97 2.94 3.38 -1.49 -2.67 115.31 116.31 1iku h LEU 102 Ca 0.00 0.01 0.32 0.00 0.09 0.00 0.00 57.88 58.31 1iku h LEU 102 Cb 0.99 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 41.68 1iku h LEU 102 CO 0.08 -0.06 0.40 -0.33 0.09 0.00 0.00 178.44 178.63 1iku h GLU 103 N -0.86 0.16 0.23 1.13 5.08 -1.60 0.30 114.58 119.01 1iku h GLU 103 Ca -0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1iku h GLU 103 Cb 0.34 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1iku h GLU 103 CO 0.07 0.10 -0.11 2.35 -1.00 0.00 0.00 179.01 180.43 1iku h TRP 104 N 0.16 -0.28 -0.33 4.33 7.01 -1.58 -1.09 115.95 124.17 1iku h TRP 104 Ca 0.70 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.72 1iku h TRP 104 Cb 1.63 0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 28.75 1iku h TRP 104 CO -0.15 -0.10 0.15 0.00 -2.79 0.00 0.00 178.44 175.56 1iku h ALA 105 N 0.35 0.40 -0.72 2.65 0.00 -0.19 -1.44 119.26 120.31 1iku h ALA 105 Ca -0.03 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1iku h ALA 105 Cb 0.31 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1iku h ALA 105 CO 0.05 -0.23 0.38 0.35 0.00 0.00 0.00 179.25 179.80 1iku h PHE 106 N 0.32 0.68 0.00 0.00 3.04 -0.61 0.15 116.94 120.51 1iku h PHE 106 Ca 0.14 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1iku h PHE 106 Cb 0.07 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.39 1iku h PHE 106 CO -0.11 0.27 0.00 0.66 -2.02 0.00 0.00 178.31 177.11 1iku h SER 107 N 0.65 0.00 1.61 0.41 4.64 -0.61 0.22 113.55 120.47 1iku h SER 107 Ca 0.35 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.64 1iku h SER 107 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1iku h SER 107 CO -0.25 0.00 -0.39 0.25 -0.87 0.00 0.00 176.83 175.57 1iku h LEU 108 N 0.00 0.00 0.00 5.97 5.85 0.31 -3.35 115.31 124.09 1iku h LEU 108 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1iku h LEU 108 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1iku h LEU 108 CO 0.00 0.10 -1.44 -1.22 -0.34 0.00 0.00 178.44 175.54 1iku n TYR 109 N -3.00 0.00 -1.04 1.25 4.01 -0.60 -4.65 117.16 113.13 1iku n TYR 109 Ca 0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.55 1iku n TYR 109 Cb 0.58 -0.25 -0.11 0.00 -0.31 0.00 0.00 39.34 39.25 1iku n TYR 109 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1iku n ASP 110 N -1.85 6.11 -0.07 7.72 5.75 0.74 -4.05 116.55 130.90 1iku n ASP 110 Ca -0.02 -2.46 -0.14 0.00 -0.01 0.00 0.00 54.79 52.17 1iku n ASP 110 Cb 0.31 -1.38 -0.05 0.00 -1.03 0.00 0.00 41.12 38.96 1iku n ASP 110 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1iku n VAL 111 N 2.96 0.74 0.00 2.12 0.24 -1.26 -4.69 118.33 118.45 1iku n VAL 111 Ca 0.53 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.63 1iku n VAL 111 Cb 0.62 -1.61 0.00 0.00 -1.47 0.00 0.00 33.84 31.38 1iku n VAL 111 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1iku n ASP 112 N -3.53 0.00 0.00 -1.34 8.00 -1.26 -4.67 116.55 113.75 1iku n ASP 112 Ca -0.26 0.60 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1iku n ASP 112 Cb 0.70 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1iku n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iku n GLY 113 N 0.71 -1.71 0.00 0.44 0.00 -1.26 -5.04 105.19 98.33 1iku n GLY 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iku n GLY 113 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iku n ASN 114 N 0.00 0.00 -2.02 1.61 2.85 -1.26 -4.98 115.26 111.46 1iku n ASN 114 Ca 0.00 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.22 1iku n ASN 114 Cb 0.00 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.09 1iku n ASN 114 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1iku n GLY 115 N 0.00 5.95 3.27 8.20 0.00 -1.26 -4.54 105.19 116.80 1iku n GLY 115 Ca 0.00 -2.29 -0.10 0.00 0.00 0.00 0.00 46.02 43.63 1iku n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 116 N -4.46 0.10 0.20 2.61 -4.23 -1.26 -3.29 115.64 105.31 1iku s THR 116 Ca 0.55 -0.78 0.09 0.00 -1.18 0.00 0.00 61.69 60.37 1iku s THR 116 Cb 0.45 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 1iku s THR 116 CO 0.02 -0.43 -0.18 -0.51 -0.54 0.00 0.00 174.62 172.97 1iku s ILE 117 N -3.46 2.00 0.42 2.99 2.07 -0.66 -4.68 121.20 119.87 1iku s ILE 117 Ca 0.01 -2.11 0.07 0.00 -1.41 0.00 0.00 60.65 57.21 1iku s ILE 117 Cb 0.02 -2.02 -0.06 0.00 0.13 0.00 0.00 42.46 40.53 1iku s ILE 117 CO -0.09 -0.38 0.13 -0.55 -1.91 0.00 0.00 174.94 172.13 1iku s SER 118 N -3.01 4.24 0.09 4.50 0.15 -1.26 -2.63 113.70 115.79 1iku s SER 118 Ca 0.21 -1.19 -0.36 0.00 0.70 0.00 0.00 55.95 55.31 1iku s SER 118 Cb -0.05 -0.41 -0.17 0.00 -1.71 0.00 0.00 66.02 63.68 1iku s SER 118 CO 0.09 -0.53 1.57 0.50 1.20 0.00 0.00 173.24 176.06 1iku h LYS 119 N 1.52 -0.96 -1.00 5.44 1.63 -1.88 -2.32 116.57 119.00 1iku h LYS 119 Ca -0.43 0.07 0.35 0.00 -0.85 0.00 0.00 60.65 59.79 1iku h LYS 119 Cb 1.25 0.22 -0.18 0.00 -0.60 0.00 0.00 32.23 32.92 1iku h LYS 119 CO 0.73 -0.64 0.30 -0.97 -3.45 0.00 0.00 179.45 175.43 1iku h ASN 120 N -1.00 -0.05 -0.50 4.20 -0.00 -1.97 0.87 115.58 117.13 1iku h ASN 120 Ca -0.06 0.27 -0.04 0.00 -0.00 0.00 0.00 56.30 56.47 1iku h ASN 120 Cb 0.87 0.37 -0.02 0.00 -0.00 0.00 0.00 38.32 39.54 1iku h ASN 120 CO -0.07 -0.40 0.18 -0.33 -0.00 0.00 0.00 177.43 176.81 1iku h GLU 121 N 0.01 0.77 -0.91 6.67 5.08 -1.84 -1.92 114.58 122.44 1iku h GLU 121 Ca 0.73 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.97 1iku h GLU 121 Cb 1.78 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.86 1iku h GLU 121 CO -0.84 0.70 0.59 0.28 -1.00 0.00 0.00 179.01 178.74 1iku h VAL 122 N 0.68 1.18 -0.31 3.13 2.07 0.10 -2.14 116.25 120.96 1iku h VAL 122 Ca 0.16 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1iku h VAL 122 Cb 0.24 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1iku h VAL 122 CO -0.01 0.21 0.18 0.25 0.02 0.00 0.00 177.57 178.23 1iku h LEU 123 N 1.18 0.30 -0.55 2.57 5.85 -0.80 -2.32 115.31 121.54 1iku h LEU 123 Ca 0.35 0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.18 1iku h LEU 123 Cb -0.05 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 40.81 1iku h LEU 123 CO -0.10 0.22 -0.16 -0.33 -0.34 0.00 0.00 178.44 177.73 1iku h GLU 124 N 0.37 -0.02 0.33 1.25 3.07 -0.69 0.28 114.58 119.17 1iku h GLU 124 Ca 0.12 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1iku h GLU 124 Cb -0.01 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1iku h GLU 124 CO -0.05 -0.02 -0.35 0.82 -1.40 0.00 0.00 179.01 178.02 1iku h ILE 125 N -0.02 0.29 -0.76 3.13 2.04 -1.23 0.14 117.51 121.08 1iku h ILE 125 Ca 0.26 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.28 1iku h ILE 125 Cb 0.42 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 1iku h ILE 125 CO -0.58 0.00 0.51 0.58 0.00 0.00 0.00 178.15 178.67 1iku h VAL 126 N -0.71 0.76 -0.01 1.67 2.07 -0.76 0.12 116.25 119.39 1iku h VAL 126 Ca -0.02 -0.13 -0.18 0.00 0.82 0.00 0.00 66.70 67.20 1iku h VAL 126 Cb 0.65 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1iku h VAL 126 CO -0.07 0.07 -0.80 0.74 0.02 0.00 0.00 177.57 177.52 1iku h THR 127 N 0.37 1.51 0.04 2.57 2.02 0.49 -2.18 112.91 117.72 1iku h THR 127 Ca 0.38 -2.56 -0.00 0.00 0.77 0.00 0.00 66.41 64.99 1iku h THR 127 Cb 0.94 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.75 1iku h THR 127 CO -0.11 0.74 -0.02 0.00 0.37 0.00 0.00 175.52 176.50 1iku h ALA 128 N 1.11 -0.06 -0.29 6.16 0.00 0.19 -1.77 119.26 124.60 1iku h ALA 128 Ca -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1iku h ALA 128 Cb 1.40 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1iku h ALA 128 CO 0.11 -0.40 0.03 0.82 0.00 0.00 0.00 179.25 179.81 1iku h ILE 129 N -0.32 1.24 0.42 0.00 2.04 -1.42 -2.65 117.51 116.82 1iku h ILE 129 Ca -0.01 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1iku h ILE 129 Cb 0.29 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1iku h ILE 129 CO 0.01 0.28 -0.46 0.15 0.00 0.00 0.00 178.15 178.13 1iku h PHE 130 N 0.30 -1.27 -1.16 1.37 3.57 -1.38 0.03 116.94 118.40 1iku h PHE 130 Ca 0.08 0.01 0.33 0.00 3.53 0.00 0.00 57.97 61.93 1iku h PHE 130 Cb 0.38 0.50 -0.10 0.00 2.79 0.00 0.00 35.95 39.52 1iku h PHE 130 CO 0.03 -0.61 0.75 -0.22 -2.23 0.00 0.00 178.31 176.03 1iku h LYS 131 N -0.90 0.24 -0.96 1.11 3.64 -1.32 1.08 116.57 119.47 1iku h LYS 131 Ca -0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1iku h LYS 131 Cb 0.80 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.52 1iku h LYS 131 CO -0.09 0.16 0.61 1.98 -2.27 0.00 0.00 179.45 179.84 1iku h MET 132 N 0.25 1.28 -6.58 1.90 4.05 -0.63 -3.42 114.93 111.78 1iku h MET 132 Ca 0.68 -0.09 -0.53 0.00 -0.28 0.00 0.00 59.70 59.47 1iku h MET 132 Cb 1.96 -0.28 0.05 0.00 -0.80 0.00 0.00 31.60 32.53 1iku h MET 132 CO -0.32 0.87 1.03 -0.89 0.23 0.00 0.00 176.91 177.84 1iku n ILE 133 N -4.38 0.15 -1.70 1.77 5.41 0.37 -4.80 119.36 116.18 1iku n ILE 133 Ca 0.11 -0.03 -0.44 0.00 1.00 0.00 0.00 62.75 63.40 1iku n ILE 133 Cb 0.03 -1.99 -0.03 0.00 -0.71 0.00 0.00 39.64 36.94 1iku n ILE 133 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1iku n SER 134 N 4.62 3.53 0.00 4.38 7.64 -1.26 -4.78 113.62 127.75 1iku n SER 134 Ca 0.17 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.15 1iku n SER 134 Cb 0.35 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.04 1iku n SER 134 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1iku n PRO 135 N 3.14 0.00 -0.02 1.43 -0.02 -1.26 -1.20 135.00 137.07 1iku n PRO 135 Ca 0.14 0.34 -0.21 0.00 -2.02 0.00 0.00 63.50 61.75 1iku n PRO 135 Cb 0.33 -1.57 -0.13 0.00 -0.02 0.00 0.00 33.50 32.10 1iku n PRO 135 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1iku h GLU 136 N 0.00 0.17 -0.00 -0.52 3.07 -2.01 -3.34 114.58 111.95 1iku h GLU 136 Ca 0.00 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 1iku h GLU 136 Cb 0.15 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1iku h GLU 136 CO 0.00 1.14 -0.14 -3.47 -1.40 0.00 0.00 179.01 175.15 1iku n ASP 137 N -4.03 0.15 0.00 1.42 -0.08 -0.34 -3.07 116.55 110.60 1iku n ASP 137 Ca -0.27 0.25 0.13 0.00 -1.51 0.00 0.00 54.79 53.40 1iku n ASP 137 Cb 0.84 -0.28 0.60 0.00 2.34 0.00 0.00 41.12 44.62 1iku n ASP 137 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1iku n THR 138 N -1.48 0.10 0.09 5.18 -1.04 -0.37 -3.17 114.28 113.59 1iku n THR 138 Ca 0.07 0.03 -0.08 0.00 -2.04 0.00 0.00 64.05 62.03 1iku n THR 138 Cb 0.33 -0.55 -0.03 0.00 -1.82 0.00 0.00 70.33 68.26 1iku n THR 138 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1iku h LYS 139 N 0.00 0.10 -0.13 -2.82 3.64 -1.68 -3.21 116.57 112.47 1iku h LYS 139 Ca 0.00 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.14 1iku h LYS 139 Cb 0.46 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1iku h LYS 139 CO 0.00 0.94 -0.44 0.45 -2.27 0.00 0.00 179.45 178.13 1iku h HIS 140 N 0.05 0.36 -2.47 1.91 3.86 -1.76 -3.45 115.15 113.66 1iku h HIS 140 Ca -0.03 -0.11 -0.59 0.00 -1.16 0.00 0.00 60.37 58.48 1iku h HIS 140 Cb 1.58 -0.08 0.18 0.00 1.06 0.00 0.00 27.41 30.15 1iku h HIS 140 CO 0.02 0.70 -0.79 1.28 0.86 0.00 0.00 177.93 180.00 1iku n LEU 141 N -4.00 -1.52 -4.67 2.43 4.77 -1.22 -4.82 117.00 107.97 1iku n LEU 141 Ca -0.02 0.69 -0.39 0.00 -0.03 0.00 0.00 56.01 56.26 1iku n LEU 141 Cb 0.51 -1.01 0.03 0.00 -2.33 0.00 0.00 43.42 40.63 1iku n LEU 141 CO 0.43 -3.95 0.77 -2.65 -1.33 0.00 0.00 177.39 170.65 1iku n PRO 142 N 0.75 1.49 -0.15 3.23 -0.01 -1.26 -4.88 135.00 134.16 1iku n PRO 142 Ca 0.10 0.54 0.08 0.00 -0.01 0.00 0.00 63.50 64.21 1iku n PRO 142 Cb 0.47 -2.32 0.25 0.00 -0.01 0.00 0.00 33.50 31.89 1iku n PRO 142 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1iku n GLU 143 N -0.50 1.84 -0.04 -0.52 1.02 -1.26 -4.07 120.64 117.10 1iku n GLU 143 Ca 0.10 -1.28 -0.05 0.00 -0.02 0.00 0.00 57.16 55.90 1iku n GLU 143 Cb 0.43 -1.34 -0.05 0.00 -0.02 0.00 0.00 31.44 30.47 1iku n GLU 143 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1iku h ASP 144 N 2.26 -0.03 -1.81 1.62 5.19 -2.01 -3.43 116.42 118.20 1iku h ASP 144 Ca 0.00 -0.32 -0.48 0.00 -0.62 0.00 0.00 57.03 55.60 1iku h ASP 144 Cb 0.51 0.01 -0.33 0.00 0.18 0.00 0.00 39.33 39.70 1iku h ASP 144 CO 0.00 0.62 -0.91 -0.62 -3.12 0.00 0.00 179.24 175.21 1iku n GLU 145 N -4.76 0.47 -0.48 3.56 1.02 -1.26 -4.93 120.64 114.27 1iku n GLU 145 Ca -0.04 -2.89 0.08 0.00 -0.02 0.00 0.00 57.16 54.29 1iku n GLU 145 Cb 0.17 -1.46 0.26 0.00 -0.02 0.00 0.00 31.44 30.39 1iku n GLU 145 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1iku n ASN 146 N 2.23 3.85 -4.67 1.62 0.23 -1.26 -4.62 115.26 112.65 1iku n ASN 146 Ca 0.23 -3.06 -0.32 0.00 -0.53 0.00 0.00 54.58 50.90 1iku n ASN 146 Cb 0.52 -0.56 -0.09 0.00 -2.08 0.00 0.00 39.78 37.58 1iku n ASN 146 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1iku s THR 147 N -2.86 4.04 0.42 5.53 -4.23 -1.26 -4.97 115.64 112.31 1iku s THR 147 Ca 0.43 -0.76 0.29 0.00 -1.18 0.00 0.00 61.69 60.47 1iku s THR 147 Cb 0.35 -2.84 0.29 0.00 1.34 0.00 0.00 72.50 71.65 1iku s THR 147 CO 0.09 0.29 1.88 -0.65 -0.54 0.00 0.00 174.62 175.69 1iku h PRO 148 N 4.05 0.00 0.06 3.99 0.10 -1.94 0.95 132.00 139.21 1iku h PRO 148 Ca -0.48 0.00 -0.18 0.00 0.10 0.00 0.00 66.00 65.44 1iku h PRO 148 Cb 1.17 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.26 1iku h PRO 148 CO 0.58 0.00 -0.92 0.93 0.10 0.00 0.00 178.00 178.68 1iku h GLU 149 N 0.00 0.13 0.00 1.05 5.08 -1.95 -2.57 114.58 116.32 1iku h GLU 149 Ca 0.00 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 1iku h GLU 149 Cb 0.39 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1iku h GLU 149 CO 0.00 1.11 -0.26 0.87 -1.00 0.00 0.00 179.01 179.73 1iku h LYS 150 N -0.65 0.00 0.06 2.33 1.57 -1.65 -1.28 116.57 116.95 1iku h LYS 150 Ca -0.21 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.45 1iku h LYS 150 Cb 1.44 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.76 1iku h LYS 150 CO -0.00 0.26 -0.52 -0.09 -0.57 0.00 0.00 179.45 178.53 1iku h ARG 151 N 0.00 0.24 0.00 3.15 9.65 -0.98 -2.86 114.38 123.59 1iku h ARG 151 Ca -0.00 -0.34 -0.05 0.00 -1.10 0.00 0.00 59.98 58.49 1iku h ARG 151 Cb 0.87 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.56 1iku h ARG 151 CO 0.03 1.11 -0.22 0.00 2.80 0.00 0.00 179.97 183.69 1iku h ALA 152 N 0.14 0.97 -0.09 2.80 0.00 -1.45 -2.88 119.26 118.75 1iku h ALA 152 Ca -0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1iku h ALA 152 Cb 1.34 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1iku h ALA 152 CO 0.10 0.28 -0.12 0.93 0.00 0.00 0.00 179.25 180.44 1iku h GLU 153 N 0.00 0.24 -0.45 0.00 5.08 -1.28 0.03 114.58 118.21 1iku h GLU 153 Ca -0.00 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1iku h GLU 153 Cb 0.84 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1iku h GLU 153 CO 0.03 0.69 0.29 0.87 -1.00 0.00 0.00 179.01 179.89 1iku h LYS 154 N -0.20 0.56 -0.17 2.33 1.79 -1.46 0.27 116.57 119.70 1iku h LYS 154 Ca 0.01 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1iku h LYS 154 Cb 0.66 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 1iku h LYS 154 CO 0.03 0.37 0.08 0.82 -1.08 0.00 0.00 179.45 179.67 1iku h ILE 155 N 0.58 1.14 -0.29 1.86 2.04 -1.49 -1.05 117.51 120.30 1iku h ILE 155 Ca 0.17 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1iku h ILE 155 Cb -0.04 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1iku h ILE 155 CO -0.05 0.13 -0.02 -0.25 0.00 0.00 0.00 178.15 177.97 1iku h TRP 156 N 0.13 0.46 -0.13 1.37 2.91 -0.69 0.21 115.95 120.22 1iku h TRP 156 Ca 0.06 -0.04 -0.04 0.00 1.13 0.00 0.00 58.89 60.00 1iku h TRP 156 Cb 0.14 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1iku h TRP 156 CO -0.02 0.47 -0.06 0.78 -1.03 0.00 0.00 178.44 178.58 1iku h GLY 157 N 0.78 0.29 2.00 2.65 0.00 -0.12 -2.90 103.07 105.77 1iku h GLY 157 Ca 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1iku h GLY 157 CO 0.01 0.24 -0.07 0.74 0.00 0.00 0.00 176.54 177.46 1iku h PHE 158 N -0.07 0.00 0.27 5.60 -1.00 -0.97 -3.29 116.94 117.47 1iku h PHE 158 Ca 0.03 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 1iku h PHE 158 Cb 0.52 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.09 1iku h PHE 158 CO 0.07 0.07 -0.13 0.74 -1.61 0.00 0.00 178.31 177.44 1iku h PHE 159 N 0.00 -0.34 0.00 -0.55 0.04 -0.75 -3.46 116.94 111.88 1iku h PHE 159 Ca -0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1iku h PHE 159 Cb 0.60 0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.87 1iku h PHE 159 CO 0.00 -0.21 0.00 0.41 -0.60 0.00 0.00 178.31 177.91 1iku n GLY 160 N -0.57 0.28 0.00 -1.45 0.00 -1.17 -5.03 105.19 97.25 1iku n GLY 160 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1iku n GLY 160 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1iku n LYS 161 N 0.00 0.00 -3.83 1.61 2.85 -1.25 -5.01 118.16 112.54 1iku n LYS 161 Ca 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.20 1iku n LYS 161 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1iku n LYS 161 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1iku s LYS 162 N 0.00 1.75 -0.14 -1.58 2.20 -1.26 -5.06 119.74 115.65 1iku s LYS 162 Ca 0.00 -1.05 0.05 0.00 -0.36 0.00 0.00 55.97 54.60 1iku s LYS 162 Cb 0.00 0.54 -0.23 0.00 -1.51 0.00 0.00 37.83 36.63 1iku s LYS 162 CO 0.00 -0.81 0.28 -0.40 -0.36 0.00 0.00 175.35 174.05 1iku n ASP 163 N -0.90 1.40 -3.65 1.43 5.75 -1.26 -4.44 116.55 114.87 1iku n ASP 163 Ca -0.06 0.16 -0.41 0.00 -0.01 0.00 0.00 54.79 54.47 1iku n ASP 163 Cb 0.60 -0.24 0.01 0.00 -1.03 0.00 0.00 41.12 40.45 1iku n ASP 163 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1iku n ASP 164 N -3.19 7.23 -4.18 -1.12 8.00 -1.26 -4.82 116.55 117.20 1iku n ASP 164 Ca -0.31 -3.37 -0.28 0.00 0.71 0.00 0.00 54.79 51.54 1iku n ASP 164 Cb 1.06 -1.30 -0.08 0.00 -0.02 0.00 0.00 41.12 40.78 1iku n ASP 164 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1iku s ASP 165 N -0.47 3.13 0.11 -2.24 2.15 -1.26 -5.17 116.67 112.93 1iku s ASP 165 Ca 0.44 -1.72 0.05 0.00 0.43 0.00 0.00 52.55 51.74 1iku s ASP 165 Cb 0.16 0.60 -0.04 0.00 -0.30 0.00 0.00 42.92 43.35 1iku s ASP 165 CO -0.07 -0.97 -0.12 -0.54 -0.17 0.00 0.00 175.17 173.30 1iku s LYS 166 N -3.70 0.95 -0.16 4.34 1.02 -1.26 -4.70 119.74 116.23 1iku s LYS 166 Ca 0.18 -1.21 0.01 0.00 0.02 0.00 0.00 55.97 54.97 1iku s LYS 166 Cb 0.01 -0.75 0.02 0.00 -0.52 0.00 0.00 37.83 36.59 1iku s LYS 166 CO 0.12 0.13 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.99 1iku s LEU 167 N -2.48 1.99 0.56 3.17 1.43 -1.08 -4.97 118.68 117.30 1iku s LEU 167 Ca 0.08 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 1iku s LEU 167 Cb -0.04 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.83 1iku s LEU 167 CO 0.02 0.01 0.84 -0.89 0.23 0.00 0.00 176.35 176.55 1iku s THR 168 N 1.18 3.52 0.16 5.49 2.01 -1.26 -1.66 115.64 125.09 1iku s THR 168 Ca 0.01 -0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 1iku s THR 168 Cb -0.14 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1iku s THR 168 CO -0.09 -0.34 1.54 -0.08 -0.69 0.00 0.00 174.62 174.96 1iku h GLU 169 N -0.04 -0.05 -0.37 4.92 4.22 -1.96 0.32 114.58 121.62 1iku h GLU 169 Ca -0.45 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 58.98 1iku h GLU 169 Cb 1.26 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1iku h GLU 169 CO 0.59 -0.04 0.18 0.87 -2.18 0.00 0.00 179.01 178.43 1iku h LYS 170 N -0.06 0.54 -0.62 1.92 1.57 -1.93 -1.36 116.57 116.63 1iku h LYS 170 Ca 0.17 -0.08 0.12 0.00 -1.87 0.00 0.00 60.65 58.99 1iku h LYS 170 Cb 0.46 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1iku h LYS 170 CO -0.90 0.48 0.42 0.93 -0.57 0.00 0.00 179.45 179.82 1iku h GLU 171 N 0.46 0.34 0.12 3.15 4.39 -1.30 0.75 114.58 122.48 1iku h GLU 171 Ca 0.13 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1iku h GLU 171 Cb 0.12 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1iku h GLU 171 CO -0.02 0.22 -0.06 0.35 -1.16 0.00 0.00 179.01 178.35 1iku h PHE 172 N 0.35 -0.15 0.13 4.33 3.57 0.01 -0.71 116.94 124.46 1iku h PHE 172 Ca 0.29 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 1iku h PHE 172 Cb 0.68 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1iku h PHE 172 CO -0.00 0.11 -0.06 0.82 -2.23 0.00 0.00 178.31 176.95 1iku h ILE 173 N -1.01 0.97 0.00 1.41 5.03 -1.04 -2.48 117.51 120.40 1iku h ILE 173 Ca -0.02 -0.41 -0.03 0.00 -0.12 0.00 0.00 64.86 64.29 1iku h ILE 173 Cb 0.33 1.22 -0.00 0.00 -3.03 0.00 0.00 36.82 35.34 1iku h ILE 173 CO 0.03 0.10 -0.13 1.05 -0.68 0.00 0.00 178.15 178.51 1iku h GLU 174 N -0.37 0.00 -0.36 2.37 -0.00 0.35 -0.18 114.58 116.39 1iku h GLU 174 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.26 1iku h GLU 174 Cb 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.03 1iku h GLU 174 CO 0.03 0.13 -0.11 0.78 -0.00 0.00 0.00 179.01 179.85 1iku h GLY 175 N 0.86 0.66 0.00 1.06 0.00 -0.68 -1.36 103.07 103.62 1iku h GLY 175 Ca -0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 1iku h GLY 175 CO 0.02 0.43 -0.76 -0.91 0.00 0.00 0.00 176.54 175.32 1iku h THR 176 N 0.56 0.56 -0.46 4.70 1.35 -1.06 -3.22 112.91 115.34 1iku h THR 176 Ca 0.10 -1.64 0.13 0.00 -0.55 0.00 0.00 66.41 64.46 1iku h THR 176 Cb 0.52 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 1iku h THR 176 CO 0.03 0.19 0.36 0.25 -0.25 0.00 0.00 175.52 176.10 1iku h LEU 177 N -1.00 0.00 0.02 3.87 6.46 -1.14 -2.80 115.31 120.73 1iku h LEU 177 Ca -0.16 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1iku h LEU 177 Cb 0.86 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.79 1iku h LEU 177 CO -0.10 0.00 -0.01 0.00 -0.62 0.00 0.00 178.44 177.71 1iku h ALA 178 N 1.71 -0.03 -2.44 1.25 0.00 -1.40 -3.46 119.26 114.88 1iku h ALA 178 Ca 0.22 -0.30 -0.52 0.00 0.00 0.00 0.00 54.91 54.31 1iku h ALA 178 Cb 0.94 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1iku h ALA 178 CO -0.00 -0.05 -0.12 -0.80 0.00 0.00 0.00 179.25 178.27 1iku s ASN 179 N -5.89 6.47 -0.09 0.00 -0.87 -1.06 -5.01 114.94 108.49 1iku s ASN 179 Ca -0.12 0.76 -0.02 0.00 -1.57 0.00 0.00 52.86 51.91 1iku s ASN 179 Cb -0.01 -2.16 -0.26 0.00 -0.02 0.00 0.00 41.25 38.79 1iku s ASN 179 CO 0.45 -0.19 0.47 0.11 -2.57 0.00 0.00 177.10 175.37 1iku h LYS 180 N 1.78 0.21 0.14 -0.60 1.57 -1.90 -3.28 116.57 114.49 1iku h LYS 180 Ca -0.47 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 57.94 1iku h LYS 180 Cb 1.19 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 1iku h LYS 180 CO 0.66 1.05 -0.12 0.93 -0.57 0.00 0.00 179.45 181.40 1iku h GLU 181 N 0.06 -0.25 -0.88 3.15 4.39 -1.95 0.13 114.58 119.24 1iku h GLU 181 Ca -0.38 0.02 0.23 0.00 0.34 0.00 0.00 59.36 59.57 1iku h GLU 181 Cb 2.03 0.06 -0.14 0.00 -0.10 0.00 0.00 28.75 30.60 1iku h GLU 181 CO 0.09 -0.16 0.24 0.82 -1.16 0.00 0.00 179.01 178.84 1iku h ILE 182 N -0.26 0.32 -0.77 3.13 2.04 -1.88 0.59 117.51 120.68 1iku h ILE 182 Ca -0.02 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.81 1iku h ILE 182 Cb 0.22 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 1iku h ILE 182 CO -0.00 0.04 0.48 0.25 0.00 0.00 0.00 178.15 178.92 1iku h LEU 183 N 0.22 0.78 -1.04 1.44 5.85 -1.52 0.51 115.31 121.55 1iku h LEU 183 Ca 0.55 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.27 1iku h LEU 183 Cb 1.10 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1iku h LEU 183 CO -0.65 0.53 0.00 -0.09 -0.34 0.00 0.00 178.44 177.90 1iku h ARG 184 N 0.93 0.00 0.00 1.25 2.43 0.29 -1.00 114.38 118.28 1iku h ARG 184 Ca 0.31 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.38 1iku h ARG 184 Cb 0.05 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1iku h ARG 184 CO -0.13 0.00 -1.56 1.28 -1.51 0.00 0.00 179.97 178.06 1iku n LEU 185 N -2.76 0.55 -0.08 3.80 4.77 0.10 -4.45 117.00 118.93 1iku n LEU 185 Ca 0.02 0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 56.12 1iku n LEU 185 Cb 0.30 0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1iku n LEU 185 CO 0.25 0.06 -0.22 -0.29 -1.33 0.00 0.00 177.39 175.87 1iku h ILE 186 N 0.00 0.56 -1.65 -0.08 -0.00 0.24 -3.44 117.51 113.15 1iku h ILE 186 Ca -0.13 -1.58 -0.47 0.00 -0.00 0.00 0.00 64.86 62.69 1iku h ILE 186 Cb 1.36 1.22 0.01 0.00 -0.00 0.00 0.00 36.82 39.41 1iku h ILE 186 CO 0.02 0.19 1.61 -1.10 -0.00 0.00 0.00 178.15 178.87 1iku s GLN 187 N -2.14 2.15 5.85 2.19 -0.21 -0.41 -4.68 119.66 122.40 1iku s GLN 187 Ca -0.17 1.36 0.00 0.00 0.02 0.00 0.00 55.36 56.57 1iku s GLN 187 Cb 0.02 -4.57 0.00 0.00 1.00 0.00 0.00 33.01 29.46 1iku s GLN 187 CO 0.37 -3.23 0.00 0.34 -2.12 0.00 0.00 175.29 170.65 1iku n PHE 188 N 15.63 0.00 0.00 0.91 -0.00 -1.26 -4.90 117.46 127.84 1iku n PHE 188 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.80 1iku n PHE 188 Cb 0.55 0.05 0.00 0.00 -0.00 0.00 0.00 39.48 40.07 1iku n PHE 188 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15