#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 -0.88 0.49 1.61 -0.87 -1.26 -4.97 114.94 109.05 1iku s ASN 3 Ca 0.00 1.49 0.09 0.00 -1.57 0.00 0.00 52.86 52.87 1iku s ASN 3 Cb 0.00 1.41 0.47 0.00 -0.02 0.00 0.00 41.25 43.11 1iku s ASN 3 CO 0.00 -0.24 1.17 -1.28 -2.57 0.00 0.00 177.10 174.17 1iku h SER 4 N 6.36 0.00 0.31 -1.22 0.87 -1.97 0.12 113.55 118.04 1iku h SER 4 Ca -0.30 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.25 1iku h SER 4 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1iku h SER 4 CO 0.13 0.00 -0.15 0.50 -0.53 0.00 0.00 176.83 176.78 1iku h LYS 5 N 0.00 -0.41 0.00 2.24 3.64 -1.98 -2.41 116.57 117.65 1iku h LYS 5 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1iku h LYS 5 Cb 1.28 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1iku h LYS 5 CO 0.00 -0.09 0.08 0.43 -2.27 0.00 0.00 179.45 177.60 1iku n SER 6 N -5.14 0.18 0.13 4.20 7.64 0.43 -0.15 113.62 120.91 1iku n SER 6 Ca -0.10 0.53 -0.00 0.00 1.01 0.00 0.00 58.87 60.31 1iku n SER 6 Cb 0.26 -0.54 0.08 0.00 -1.01 0.00 0.00 64.21 63.01 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 0.00 0.13 0.23 0.00 -1.45 -3.01 103.07 98.97 1iku h GLY 7 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1iku h GLY 7 CO 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.48 1iku h ALA 8 N 1.35 -0.00 -0.72 3.60 0.00 -0.58 -2.86 119.26 120.04 1iku h ALA 8 Ca -0.01 -0.48 0.17 0.00 0.00 0.00 0.00 54.91 54.59 1iku h ALA 8 Cb 1.34 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1iku h ALA 8 CO 0.08 -0.00 0.49 -0.07 0.00 0.00 0.00 179.25 179.76 1iku h LEU 9 N -0.87 0.25 -0.10 0.00 3.38 -1.62 -1.02 115.31 115.34 1iku h LEU 9 Ca -0.01 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1iku h LEU 9 Cb 0.97 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1iku h LEU 9 CO 0.01 0.12 -0.38 0.77 0.09 0.00 0.00 178.44 179.06 1iku h SER 10 N 0.26 0.50 -0.32 -0.43 4.64 -1.57 -2.71 113.55 113.92 1iku h SER 10 Ca 0.35 -0.62 0.07 0.00 -0.47 0.00 0.00 61.79 61.12 1iku h SER 10 Cb 1.01 -0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 62.87 1iku h SER 10 CO -0.08 1.04 -0.25 0.50 -0.87 0.00 0.00 176.83 177.17 1iku h LYS 11 N -0.01 -0.21 -0.37 4.77 3.64 -0.95 0.23 116.57 123.67 1iku h LYS 11 Ca -0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1iku h LYS 11 Cb 1.01 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1iku h LYS 11 CO 0.08 -0.14 0.23 0.93 -2.27 0.00 0.00 179.45 178.28 1iku h GLU 12 N -0.22 0.49 0.07 1.90 4.39 -1.55 -0.14 114.58 119.52 1iku h GLU 12 Ca 0.16 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1iku h GLU 12 Cb 0.47 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1iku h GLU 12 CO -0.45 0.35 -0.03 0.82 -1.16 0.00 0.00 179.01 178.55 1iku h ILE 13 N 0.49 0.00 -0.31 3.13 2.04 -0.98 0.02 117.51 121.89 1iku h ILE 13 Ca 0.13 -0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.08 1iku h ILE 13 Cb -0.02 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 1iku h ILE 13 CO -0.03 0.00 0.56 -0.07 0.00 0.00 0.00 178.15 178.62 1iku h LEU 14 N -0.09 0.00 0.01 1.44 3.38 -0.64 0.70 115.31 120.11 1iku h LEU 14 Ca -0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1iku h LEU 14 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1iku h LEU 14 CO 0.01 0.00 -1.09 -0.08 0.09 0.00 0.00 178.44 177.38 1iku h GLU 15 N 0.00 0.14 -0.48 1.13 4.81 -0.62 -3.28 114.58 116.28 1iku h GLU 15 Ca 0.15 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 1iku h GLU 15 Cb 1.28 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 1iku h GLU 15 CO -0.00 1.09 -0.18 0.93 -0.73 0.00 0.00 179.01 180.11 1iku h GLU 16 N 0.05 0.95 0.00 1.92 5.08 0.24 -3.31 114.58 119.51 1iku h GLU 16 Ca -0.07 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1iku h GLU 16 Cb 1.82 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1iku h GLU 16 CO 0.16 1.05 0.00 -0.11 -1.00 0.00 0.00 179.01 179.11 1iku n LEU 17 N -4.12 0.00 0.00 1.33 0.00 -1.00 -4.85 117.00 108.36 1iku n LEU 17 Ca 0.01 0.75 0.00 0.00 0.00 0.00 0.00 56.01 56.77 1iku n LEU 17 Cb 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 43.42 43.60 1iku n LEU 17 CO 0.46 -0.25 0.00 1.67 0.00 0.00 0.00 177.39 179.26 1iku n GLN 18 N -1.86 0.00 -1.24 1.96 -0.06 -1.25 -5.06 117.38 109.88 1iku n GLN 18 Ca 0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 54.70 1iku n GLN 18 Cb 0.00 0.00 0.24 0.00 -4.06 0.00 0.00 30.24 26.42 1iku n GLN 18 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1iku n LEU 19 N -0.12 0.00 -3.64 1.69 4.77 -1.25 -5.00 117.00 113.45 1iku n LEU 19 Ca 0.00 -1.22 -0.10 0.00 -0.03 0.00 0.00 56.01 54.66 1iku n LEU 19 Cb 0.00 -1.00 -0.07 0.00 -2.33 0.00 0.00 43.42 40.02 1iku n LEU 19 CO 0.00 -1.99 0.39 0.20 -1.33 0.00 0.00 177.39 174.67 1iku s ASN 20 N -4.76 -0.85 -0.50 -1.43 0.01 -1.26 -4.43 114.94 101.72 1iku s ASN 20 Ca 0.71 1.47 0.03 0.00 -0.71 0.00 0.00 52.86 54.36 1iku s ASN 20 Cb -0.06 1.41 0.15 0.00 0.41 0.00 0.00 41.25 43.17 1iku s ASN 20 CO 0.54 -0.24 0.34 0.28 -1.51 0.00 0.00 177.10 176.50 1iku s THR 21 N 1.10 1.49 0.64 1.60 -1.32 -1.26 -4.25 115.64 113.64 1iku s THR 21 Ca -0.06 -3.04 0.11 0.00 -1.21 0.00 0.00 61.69 57.49 1iku s THR 21 Cb -0.05 -2.02 0.14 0.00 -1.51 0.00 0.00 72.50 69.07 1iku s THR 21 CO -0.11 -1.02 1.20 0.11 -2.21 0.00 0.00 174.62 172.59 1iku h LYS 22 N 6.07 0.00 -6.50 7.08 1.57 -2.00 -3.40 116.57 119.38 1iku h LYS 22 Ca 0.11 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.29 1iku h LYS 22 Cb 0.88 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.26 1iku h LYS 22 CO 0.51 0.00 0.58 1.19 -0.57 0.00 0.00 179.45 181.16 1iku n PHE 23 N -2.77 1.98 -0.71 -1.35 3.01 -1.26 -4.94 117.46 111.41 1iku n PHE 23 Ca 0.06 0.46 -0.31 0.00 1.01 0.00 0.00 57.45 58.67 1iku n PHE 23 Cb 1.06 -2.43 0.27 0.00 -0.01 0.00 0.00 39.48 38.37 1iku n PHE 23 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1iku s THR 24 N 0.15 1.29 -0.07 4.37 -1.32 -1.26 -4.89 115.64 113.91 1iku s THR 24 Ca 0.72 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.98 1iku s THR 24 Cb -0.72 -2.29 -0.17 0.00 -1.51 0.00 0.00 72.50 67.81 1iku s THR 24 CO 0.48 0.00 0.85 -0.33 -2.21 0.00 0.00 174.62 173.41 1iku h GLU 25 N -3.14 -0.12 -1.12 7.08 3.07 -1.92 -3.22 114.58 115.20 1iku h GLU 25 Ca -0.41 0.01 0.36 0.00 -0.50 0.00 0.00 59.36 58.82 1iku h GLU 25 Cb 1.31 0.03 -0.13 0.00 -0.84 0.00 0.00 28.75 29.11 1iku h GLU 25 CO 0.26 0.41 0.69 0.93 -1.40 0.00 0.00 179.01 179.90 1iku h GLU 26 N -0.84 0.22 0.62 2.33 5.08 -1.93 -0.24 114.58 119.81 1iku h GLU 26 Ca -0.01 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1iku h GLU 26 Cb 0.58 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1iku h GLU 26 CO 0.02 0.14 -0.32 0.93 -1.00 0.00 0.00 179.01 178.78 1iku h GLU 27 N 0.22 -0.83 -1.03 2.33 4.39 -1.92 -1.38 114.58 116.37 1iku h GLU 27 Ca 0.75 0.06 0.25 0.00 0.34 0.00 0.00 59.36 60.76 1iku h GLU 27 Cb 2.02 0.19 -0.10 0.00 -0.10 0.00 0.00 28.75 30.76 1iku h GLU 27 CO -0.50 -0.55 0.65 -0.07 -1.16 0.00 0.00 179.01 177.38 1iku h LEU 28 N -0.86 0.50 0.17 1.33 3.38 -1.12 0.12 115.31 118.83 1iku h LEU 28 Ca -0.08 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1iku h LEU 28 Cb 0.67 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1iku h LEU 28 CO 0.12 0.11 -0.10 -1.28 0.09 0.00 0.00 178.44 177.38 1iku h SER 29 N 0.45 -0.23 -0.48 -0.43 0.87 -0.75 0.37 113.55 113.35 1iku h SER 29 Ca 0.59 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 61.11 1iku h SER 29 Cb 1.41 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.42 1iku h SER 29 CO -0.32 -0.16 0.06 0.77 -0.53 0.00 0.00 176.83 176.65 1iku h SER 30 N -0.25 0.77 -0.50 6.23 4.64 0.13 -2.76 113.55 121.81 1iku h SER 30 Ca -0.02 -0.27 -0.05 0.00 -0.47 0.00 0.00 61.79 60.99 1iku h SER 30 Cb 0.21 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1iku h SER 30 CO 0.02 0.85 0.16 -0.25 -0.87 0.00 0.00 176.83 176.74 1iku h TRP 31 N 0.67 0.85 0.13 4.77 7.01 -0.65 0.84 115.95 129.57 1iku h TRP 31 Ca 0.14 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 1iku h TRP 31 Cb 0.41 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.22 1iku h TRP 31 CO 0.03 0.70 -0.08 -0.92 -2.79 0.00 0.00 178.44 175.37 1iku h TYR 32 N 0.81 -0.22 -0.54 2.65 3.20 0.02 0.84 116.97 123.71 1iku h TYR 32 Ca 0.18 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.12 1iku h TYR 32 Cb 0.26 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.55 1iku h TYR 32 CO 0.02 -0.12 0.21 1.96 -1.64 0.00 0.00 178.16 178.58 1iku h GLN 33 N -0.20 0.39 -0.22 1.82 4.20 -1.49 0.70 115.11 120.31 1iku h GLN 33 Ca -0.02 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.68 1iku h GLN 33 Cb 0.16 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1iku h GLN 33 CO 0.02 0.26 0.15 0.77 -0.67 0.00 0.00 178.83 179.36 1iku h SER 34 N 0.40 0.24 0.18 1.46 0.02 -0.72 0.84 113.55 115.96 1iku h SER 34 Ca 0.26 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1iku h SER 34 Cb 0.28 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1iku h SER 34 CO -0.25 0.17 -0.09 0.15 -1.14 0.00 0.00 176.83 175.67 1iku h PHE 35 N 0.28 -0.22 0.00 3.45 3.57 0.28 -2.59 116.94 121.71 1iku h PHE 35 Ca 0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1iku h PHE 35 Cb 0.00 0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1iku h PHE 35 CO -0.00 0.14 0.00 -0.07 -2.23 0.00 0.00 178.31 176.15 1iku h LEU 36 N -0.96 0.00 -0.07 0.59 3.38 -0.82 -2.37 115.31 115.06 1iku h LEU 36 Ca -0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1iku h LEU 36 Cb 0.45 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.21 1iku h LEU 36 CO 0.04 0.00 -0.44 0.50 0.09 0.00 0.00 178.44 178.63 1iku h LYS 37 N 0.00 0.43 -0.95 1.13 3.11 0.75 -3.15 116.57 117.89 1iku h LYS 37 Ca 0.00 -0.36 0.02 0.00 -2.81 0.00 0.00 60.65 57.50 1iku h LYS 37 Cb 0.29 0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 31.55 1iku h LYS 37 CO 0.00 1.00 0.63 1.49 -2.81 0.00 0.00 179.45 179.76 1iku h GLU 38 N -0.03 1.21 -7.03 1.90 4.57 -1.02 -3.42 114.58 110.76 1iku h GLU 38 Ca -0.03 -0.07 -0.47 0.00 -1.18 0.00 0.00 59.36 57.61 1iku h GLU 38 Cb 1.09 -0.27 0.01 0.00 -0.16 0.00 0.00 28.75 29.42 1iku h GLU 38 CO 0.09 0.80 0.38 0.00 -1.18 0.00 0.00 179.01 179.10 1iku h PRO 40 N 1.95 0.00 0.00 0.00 0.11 -1.81 -3.39 132.00 128.87 1iku h PRO 40 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1iku h PRO 40 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1iku h PRO 40 CO 0.61 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.83 1iku n SER 41 N -4.09 0.00 0.00 -2.05 7.64 -1.26 -5.02 113.62 108.84 1iku n SER 41 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1iku n SER 41 Cb 0.68 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1iku n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iku n GLY 42 N -0.84 0.00 3.70 0.23 0.00 -1.26 -4.93 105.19 102.10 1iku n GLY 42 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 4.33 0.15 1.61 0.52 -1.26 -1.88 118.95 122.42 1iku s ARG 43 Ca 0.00 0.62 0.05 0.00 -0.52 0.00 0.00 55.73 55.87 1iku s ARG 43 Cb 0.00 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 1iku s ARG 43 CO 0.00 0.01 -0.10 0.96 0.02 0.00 0.00 175.30 176.19 1iku s ILE 44 N 1.05 1.18 0.43 1.52 -4.36 -0.10 -4.88 121.20 116.04 1iku s ILE 44 Ca 0.30 -2.05 0.07 0.00 -0.26 0.00 0.00 60.65 58.71 1iku s ILE 44 Cb -0.16 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.69 1iku s ILE 44 CO 0.13 -0.73 0.28 0.42 0.24 0.00 0.00 174.94 175.28 1iku s THR 45 N -3.27 2.37 -0.00 8.37 -4.23 -1.26 -0.61 115.64 117.00 1iku s THR 45 Ca 0.16 -1.53 -0.25 0.00 -1.18 0.00 0.00 61.69 58.89 1iku s THR 45 Cb 0.02 -2.90 -0.19 0.00 1.34 0.00 0.00 72.50 70.77 1iku s THR 45 CO 0.01 0.00 1.33 -0.09 -0.54 0.00 0.00 174.62 175.33 1iku h ARG 46 N 1.19 -0.05 -1.37 3.99 2.43 -1.98 0.27 114.38 118.85 1iku h ARG 46 Ca -0.42 0.00 0.40 0.00 -0.81 0.00 0.00 59.98 59.16 1iku h ARG 46 Cb 1.26 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.77 1iku h ARG 46 CO 0.63 0.34 1.00 0.37 -1.51 0.00 0.00 179.97 180.80 1iku h GLN 47 N -0.45 0.00 0.00 0.20 4.15 -1.98 -1.26 115.11 115.78 1iku h GLN 47 Ca -0.01 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.23 1iku h GLN 47 Cb 0.41 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 1iku h GLN 47 CO 0.01 0.00 -1.14 0.39 -1.93 0.00 0.00 178.83 176.16 1iku n GLU 48 N -4.10 0.54 -0.27 1.69 -0.58 -1.06 -4.17 120.64 112.69 1iku n GLU 48 Ca 0.30 0.56 -0.12 0.00 -0.42 0.00 0.00 57.16 57.48 1iku n GLU 48 Cb 1.44 -1.73 -0.09 0.00 -0.57 0.00 0.00 31.44 30.49 1iku n GLU 48 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1iku h PHE 49 N -1.00 -1.74 -0.97 -0.32 3.57 0.19 0.27 116.94 116.94 1iku h PHE 49 Ca -0.28 0.10 0.32 0.00 3.53 0.00 0.00 57.97 61.64 1iku h PHE 49 Cb 1.14 0.85 -0.17 0.00 2.79 0.00 0.00 35.95 40.56 1iku h PHE 49 CO 0.02 -0.43 0.32 0.37 -2.23 0.00 0.00 178.31 176.36 1iku h GLN 50 N -0.20 0.09 -0.20 1.11 4.15 -1.57 1.24 115.11 119.72 1iku h GLN 50 Ca 0.13 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 1iku h GLN 50 Cb 0.51 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 1iku h GLN 50 CO -0.76 0.06 -0.22 1.15 -1.93 0.00 0.00 178.83 177.13 1iku h THR 51 N 0.09 1.24 -0.20 2.39 2.02 -0.64 -2.57 112.91 115.25 1iku h THR 51 Ca 0.69 -1.13 -0.20 0.00 0.77 0.00 0.00 66.41 66.54 1iku h THR 51 Cb 1.61 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1iku h THR 51 CO -0.77 0.35 -0.67 0.40 0.37 0.00 0.00 175.52 175.20 1iku h ILE 52 N 0.33 1.29 -0.42 3.11 2.04 0.21 -0.73 117.51 123.33 1iku h ILE 52 Ca 0.05 -1.88 -0.03 0.00 1.00 0.00 0.00 64.86 64.00 1iku h ILE 52 Cb 0.58 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 1iku h ILE 52 CO 0.04 0.60 0.14 0.22 0.00 0.00 0.00 178.15 179.15 1iku h TYR 53 N 0.56 0.62 0.00 1.37 3.20 -0.86 -1.67 116.97 120.18 1iku h TYR 53 Ca -0.02 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1iku h TYR 53 Cb 1.28 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1iku h TYR 53 CO 0.07 0.51 -0.62 1.03 -1.64 0.00 0.00 178.16 177.52 1iku h SER 54 N 0.61 0.00 0.99 -2.11 0.87 -1.39 -2.62 113.55 109.90 1iku h SER 54 Ca 0.14 -0.14 -0.20 0.00 -1.23 0.00 0.00 61.79 60.36 1iku h SER 54 Cb 0.17 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1iku h SER 54 CO -0.01 0.07 -1.04 0.50 -0.53 0.00 0.00 176.83 175.82 1iku h LYS 55 N 0.00 0.00 0.03 2.24 3.11 -0.37 -3.36 116.57 118.22 1iku h LYS 55 Ca 0.00 0.00 -0.35 0.00 -2.81 0.00 0.00 60.65 57.49 1iku h LYS 55 Cb 0.81 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.99 1iku h LYS 55 CO 0.00 0.82 -2.15 1.19 -2.81 0.00 0.00 179.45 176.51 1iku n PHE 56 N -3.27 0.55 -3.76 1.91 3.72 -0.70 -4.79 117.46 111.11 1iku n PHE 56 Ca -0.02 0.15 -0.37 0.00 -0.05 0.00 0.00 57.45 57.16 1iku n PHE 56 Cb 0.92 -1.09 -0.12 0.00 -0.94 0.00 0.00 39.48 38.26 1iku n PHE 56 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1iku s PHE 57 N -2.54 3.45 0.00 1.38 0.08 -0.99 -4.26 117.98 115.10 1iku s PHE 57 Ca -0.17 -2.06 0.00 0.00 0.12 0.00 0.00 56.93 54.82 1iku s PHE 57 Cb 0.07 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.64 1iku s PHE 57 CO 0.76 -0.90 0.35 -2.30 -0.10 0.00 0.00 175.22 173.03 1iku n PRO 58 N 4.68 0.00 -2.62 0.24 -0.02 -1.26 -4.23 135.00 131.79 1iku n PRO 58 Ca -0.07 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.99 1iku n PRO 58 Cb 0.42 -0.84 -0.02 0.00 -0.02 0.00 0.00 33.50 33.04 1iku n PRO 58 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1iku s GLU 59 N -0.70 3.76 0.00 -0.52 2.02 -1.26 -4.28 118.70 117.72 1iku s GLU 59 Ca 0.00 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 53.42 1iku s GLU 59 Cb 0.00 -5.36 0.00 0.00 0.10 0.00 0.00 34.13 28.87 1iku s GLU 59 CO 0.00 -2.16 0.00 0.00 0.02 0.00 0.00 175.26 173.12 1iku n ALA 60 N 8.32 1.19 -1.62 5.21 0.00 -1.26 -4.82 120.51 127.52 1iku n ALA 60 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1iku n ALA 60 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.93 -6.29 0.00 0.00 -0.08 -1.26 -4.11 116.55 103.87 1iku n ASP 61 Ca 0.00 0.96 0.01 0.00 -1.51 0.00 0.00 54.79 54.25 1iku n ASP 61 Cb 0.00 -3.44 0.06 0.00 2.34 0.00 0.00 41.12 40.08 1iku n ASP 61 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1iku n PRO 62 N 1.10 0.09 -0.27 -0.67 -0.05 -1.26 -0.57 135.00 133.37 1iku n PRO 62 Ca 0.00 0.00 0.07 0.00 -0.05 0.00 0.00 63.50 63.52 1iku n PRO 62 Cb 0.00 -1.36 0.19 0.00 -0.05 0.00 0.00 33.50 32.28 1iku n PRO 62 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1iku n LYS 63 N -0.86 2.80 0.00 0.54 5.02 -1.26 -4.13 118.16 120.27 1iku n LYS 63 Ca 0.02 -2.38 0.00 0.00 -2.02 0.00 0.00 58.31 53.93 1iku n LYS 63 Cb 0.01 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 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 -0.14 0.00 -0.15 7.82 0.00 0.26 -4.85 120.51 123.45 1iku n ALA 64 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1iku n ALA 64 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1iku n ALA 64 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1iku n TYR 65 N 0.00 0.00 0.00 0.00 9.36 -1.26 -4.32 117.16 120.93 1iku n TYR 65 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1iku n TYR 65 Cb 0.00 -0.12 0.00 0.00 -0.63 0.00 0.00 39.34 38.59 1iku n TYR 65 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1iku n ALA 66 N -2.18 0.31 -0.17 2.98 0.00 -1.26 -1.31 120.51 118.88 1iku n ALA 66 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1iku n ALA 66 Cb 0.00 -0.31 0.50 0.00 0.00 0.00 0.00 19.45 19.64 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 0.41 0.00 0.00 5.75 -1.75 -1.74 115.11 117.78 1iku h GLN 67 Ca 0.00 -0.02 -0.28 0.00 -0.15 0.00 0.00 58.65 58.19 1iku h GLN 67 Cb 0.69 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.09 1iku h GLN 67 CO 0.00 0.27 -1.70 1.58 -2.65 0.00 0.00 178.83 176.33 1iku n HIS 68 N -4.48 0.97 0.00 3.99 -0.00 -0.43 -3.77 115.22 111.50 1iku n HIS 68 Ca 0.15 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.68 1iku n HIS 68 Cb 0.54 -1.17 0.00 0.00 -0.12 0.00 0.00 29.99 29.24 1iku n HIS 68 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1iku n VAL 69 N -3.02 0.00 -0.08 3.57 0.31 -0.68 -1.88 118.33 116.55 1iku n VAL 69 Ca -0.17 1.50 -0.09 0.00 -0.01 0.00 0.00 64.34 65.57 1iku n VAL 69 Cb 1.04 -2.49 -0.03 0.00 -0.91 0.00 0.00 33.84 31.45 1iku n VAL 69 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1iku h PHE 70 N 0.00 -0.95 -1.36 3.52 3.04 -1.72 0.24 116.94 119.71 1iku h PHE 70 Ca 0.00 0.05 0.41 0.00 3.98 0.00 0.00 57.97 62.41 1iku h PHE 70 Cb 0.00 0.46 -0.09 0.00 2.56 0.00 0.00 35.95 38.88 1iku h PHE 70 CO 0.22 -0.40 0.93 -0.09 -2.02 0.00 0.00 178.31 176.94 1iku h ARG 71 N -0.31 0.10 -0.22 1.11 2.43 -1.65 0.54 114.38 116.39 1iku h ARG 71 Ca 0.15 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1iku h ARG 71 Cb 0.55 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1iku h ARG 71 CO -0.49 0.07 -0.12 0.66 -1.51 0.00 0.00 179.97 178.58 1iku h SER 72 N 0.11 0.48 0.11 -3.80 4.64 0.21 -3.31 113.55 111.99 1iku h SER 72 Ca 0.74 -0.42 -0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1iku h SER 72 Cb 2.52 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 64.47 1iku h SER 72 CO -0.21 0.80 -0.11 -0.26 -0.87 0.00 0.00 176.83 176.17 1iku h PHE 73 N 0.16 -0.32 -2.90 4.77 -1.00 0.38 -3.45 116.94 114.59 1iku h PHE 73 Ca 0.05 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.62 1iku h PHE 73 Cb 0.62 0.12 -0.04 0.00 3.61 0.00 0.00 35.95 40.26 1iku h PHE 73 CO 0.07 -0.15 -0.24 -0.25 -1.61 0.00 0.00 178.31 176.13 1iku n ASP 74 N -2.99 -3.17 0.00 2.17 9.92 -1.03 -4.65 116.55 116.80 1iku n ASP 74 Ca -0.03 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 1iku n ASP 74 Cb 0.10 -2.85 0.00 0.00 -0.64 0.00 0.00 41.12 37.73 1iku n ASP 74 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1iku n ALA 75 N -1.18 0.00 0.17 2.24 0.00 -1.26 -3.19 120.51 117.29 1iku n ALA 75 Ca -0.12 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.39 1iku n ALA 75 Cb 0.49 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.02 1iku n ALA 75 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1iku h ASN 76 N 0.45 0.00 0.00 0.00 -1.24 -1.83 -3.46 115.58 109.51 1iku h ASN 76 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1iku h ASN 76 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1iku h ASN 76 CO 0.00 0.30 0.00 -1.54 -1.29 0.00 0.00 177.43 174.90 1iku n SER 77 N -3.17 -0.75 -0.52 1.15 3.41 -1.19 -5.00 113.62 107.54 1iku n SER 77 Ca 0.03 0.29 -0.02 0.00 -0.26 0.00 0.00 58.87 58.91 1iku n SER 77 Cb 0.66 0.93 -0.02 0.00 -0.26 0.00 0.00 64.21 65.52 1iku n SER 77 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1iku n ASP 78 N -2.62 -0.27 0.00 4.04 5.75 -1.26 -5.07 116.55 117.12 1iku n ASP 78 Ca 0.00 -0.70 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 1iku n ASP 78 Cb 0.00 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1iku n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iku n GLY 79 N 0.00 0.09 3.28 6.12 0.00 -1.26 -5.08 105.19 108.34 1iku n GLY 79 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 1.41 0.33 0.02 2.61 -4.23 -1.26 -4.74 115.64 109.78 1iku s THR 80 Ca 0.00 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 1iku s THR 80 Cb 0.00 -2.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 1iku s THR 80 CO 0.00 0.00 0.07 -1.48 -0.54 0.00 0.00 174.62 172.67 1iku s LEU 81 N -3.27 1.88 0.54 4.79 0.05 0.22 -4.41 118.68 118.48 1iku s LEU 81 Ca 0.38 -0.44 -0.20 0.00 0.05 0.00 0.00 54.13 53.92 1iku s LEU 81 Cb 0.07 0.46 -0.05 0.00 -2.05 0.00 0.00 46.19 44.62 1iku s LEU 81 CO 0.14 -0.41 1.19 -1.81 -0.55 0.00 0.00 176.35 174.91 1iku s ASP 82 N -1.72 5.57 -0.10 1.48 1.01 -1.26 -0.92 116.67 120.72 1iku s ASP 82 Ca -0.11 2.34 -0.02 0.00 0.71 0.00 0.00 52.55 55.48 1iku s ASP 82 Cb -0.06 -2.60 -0.25 0.00 1.01 0.00 0.00 42.92 41.02 1iku s ASP 82 CO -0.02 -1.33 0.43 0.33 0.21 0.00 0.00 175.17 174.79 1iku n PHE 83 N -1.21 1.19 -0.11 4.23 7.35 -0.79 -4.07 117.46 124.06 1iku n PHE 83 Ca 0.11 0.29 -0.05 0.00 -0.76 0.00 0.00 57.45 57.04 1iku n PHE 83 Cb 0.49 -1.17 0.02 0.00 0.35 0.00 0.00 39.48 39.17 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 0.05 0.10 -0.43 -4.13 1.57 -1.93 -1.91 116.57 109.90 1iku h LYS 84 Ca -0.39 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.43 1iku h LYS 84 Cb 2.03 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 34.27 1iku h LYS 84 CO 0.09 0.06 0.15 0.93 -0.57 0.00 0.00 179.45 180.11 1iku h GLU 85 N 0.10 0.31 -0.85 3.15 4.39 -1.98 -1.54 114.58 118.15 1iku h GLU 85 Ca 0.18 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.91 1iku h GLU 85 Cb 0.25 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 1iku h GLU 85 CO -0.30 0.20 0.54 -0.92 -1.16 0.00 0.00 179.01 177.37 1iku h TYR 86 N 0.31 0.99 0.18 4.33 5.03 -1.56 -0.89 116.97 125.37 1iku h TYR 86 Ca 0.20 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.53 1iku h TYR 86 Cb 0.19 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 38.15 1iku h TYR 86 CO -0.15 0.52 -0.09 0.28 -1.32 0.00 0.00 178.16 177.40 1iku h VAL 87 N 0.99 0.84 0.22 1.81 2.07 -0.58 -1.37 116.25 120.24 1iku h VAL 87 Ca 0.36 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.80 1iku h VAL 87 Cb 0.13 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1iku h VAL 87 CO -0.16 0.02 -0.25 0.40 0.02 0.00 0.00 177.57 177.61 1iku h ILE 88 N -0.29 0.47 -0.81 4.57 2.04 -0.93 0.13 117.51 122.70 1iku h ILE 88 Ca -0.02 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.05 1iku h ILE 88 Cb 0.22 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1iku h ILE 88 CO 0.04 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.76 1iku h ALA 89 N 0.17 2.59 0.01 1.87 0.00 -1.09 0.96 119.26 123.76 1iku h ALA 89 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1iku h ALA 89 Cb 0.48 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1iku h ALA 89 CO -0.07 -0.82 -0.32 1.25 0.00 0.00 0.00 179.25 179.29 1iku h LEU 90 N 0.11 0.27 0.73 0.00 7.12 -0.04 -3.32 115.31 120.18 1iku h LEU 90 Ca 0.39 -0.79 -0.04 0.00 0.13 0.00 0.00 57.88 57.57 1iku h LEU 90 Cb 1.38 -0.08 0.01 0.00 -0.53 0.00 0.00 40.66 41.44 1iku h LEU 90 CO -0.05 1.03 -0.35 0.45 -0.13 0.00 0.00 178.44 179.39 1iku h HIS 91 N -0.46 -0.91 0.00 1.25 3.86 0.70 -3.37 115.15 116.22 1iku h HIS 91 Ca -0.04 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1iku h HIS 91 Cb 1.08 0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.85 1iku h HIS 91 CO 0.18 -0.57 0.00 -1.33 0.86 0.00 0.00 177.93 177.08 1iku n MET 92 N -4.91 0.00 -1.55 2.45 2.81 0.19 -3.80 117.12 112.31 1iku n MET 92 Ca -0.12 0.09 -0.38 0.00 -1.81 0.00 0.00 57.70 55.48 1iku n MET 92 Cb 0.39 -0.53 -0.04 0.00 -0.71 0.00 0.00 33.22 32.32 1iku n MET 92 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1iku n THR 93 N -0.20 -0.02 0.00 2.03 5.66 -1.25 -4.65 114.28 115.85 1iku n THR 93 Ca 0.00 -0.67 0.00 0.00 -3.05 0.00 0.00 64.05 60.33 1iku n THR 93 Cb 0.00 -2.52 0.00 0.00 -1.55 0.00 0.00 70.33 66.26 1iku n THR 93 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1iku n SER 94 N 14.71 0.00 -3.64 1.09 3.41 -1.25 -4.86 113.62 123.09 1iku n SER 94 Ca 0.39 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.92 1iku n SER 94 Cb 0.47 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 1iku n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iku s ALA 95 N -1.00 -2.03 0.00 7.33 0.00 -1.26 -5.07 121.76 119.72 1iku s ALA 95 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1iku s ALA 95 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1iku s ALA 95 CO 0.00 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1iku n GLY 96 N 2.37 -1.55 0.00 0.00 0.00 -1.26 -4.61 105.19 100.14 1iku n GLY 96 Ca -0.13 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1iku n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iku n LYS 97 N 0.00 0.00 0.00 1.61 5.02 -1.26 -5.10 118.16 118.43 1iku n LYS 97 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1iku n LYS 97 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1iku n LYS 97 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1iku n THR 98 N 0.00 0.00 0.19 -0.18 -1.04 -1.26 -4.48 114.28 107.51 1iku n THR 98 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1iku n THR 98 Cb 0.00 -0.65 0.19 0.00 -1.82 0.00 0.00 70.33 68.05 1iku n THR 98 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1iku h ASN 99 N 0.00 0.00 -0.64 8.00 7.08 -1.98 0.28 115.58 128.31 1iku h ASN 99 Ca 0.00 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.19 1iku h ASN 99 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.21 1iku h ASN 99 CO 0.00 0.00 0.28 1.56 -2.08 0.00 0.00 177.43 177.19 1iku h GLN 100 N 0.00 0.95 0.00 4.14 1.08 -2.00 -1.78 115.11 117.51 1iku h GLN 100 Ca 0.00 -0.16 -0.24 0.00 -1.45 0.00 0.00 58.65 56.80 1iku h GLN 100 Cb 1.15 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 28.38 1iku h GLN 100 CO 0.00 0.78 -1.61 1.63 -0.95 0.00 0.00 178.83 178.68 1iku n LYS 101 N -4.44 0.63 0.07 1.46 5.02 0.95 -3.96 118.16 117.89 1iku n LYS 101 Ca 0.04 0.25 -0.03 0.00 -2.02 0.00 0.00 58.31 56.55 1iku n LYS 101 Cb 0.15 -1.79 -0.02 0.00 -0.02 0.00 0.00 35.03 33.36 1iku n LYS 101 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1iku h LEU 102 N 0.00 -0.18 -1.84 -0.35 3.38 -1.45 -2.47 115.31 112.40 1iku h LEU 102 Ca -0.24 0.01 0.43 0.00 0.09 0.00 0.00 57.88 58.16 1iku h LEU 102 Cb 1.82 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 42.54 1iku h LEU 102 CO 0.06 -0.02 1.02 -0.08 0.09 0.00 0.00 178.44 179.52 1iku h GLU 103 N -0.44 0.05 0.01 1.13 4.81 -1.55 0.46 114.58 119.05 1iku h GLU 103 Ca -0.02 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1iku h GLU 103 Cb 0.17 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1iku h GLU 103 CO 0.04 0.03 -0.00 2.35 -0.73 0.00 0.00 179.01 180.70 1iku h TRP 104 N 0.05 -0.01 -0.41 0.92 7.01 -1.68 -0.64 115.95 121.20 1iku h TRP 104 Ca 0.73 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.76 1iku h TRP 104 Cb 2.74 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 29.77 1iku h TRP 104 CO -0.00 0.48 0.22 0.00 -2.79 0.00 0.00 178.44 176.34 1iku h ALA 105 N 0.49 0.51 -0.18 2.65 0.00 0.33 0.27 119.26 123.33 1iku h ALA 105 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1iku h ALA 105 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1iku h ALA 105 CO 0.00 -0.14 0.11 0.35 0.00 0.00 0.00 179.25 179.58 1iku h PHE 106 N 0.44 0.24 -0.38 0.00 3.04 -1.09 -2.15 116.94 117.03 1iku h PHE 106 Ca 0.17 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.08 1iku h PHE 106 Cb 0.06 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.47 1iku h PHE 106 CO -0.09 0.19 0.07 0.77 -2.02 0.00 0.00 178.31 177.22 1iku h SER 107 N 0.22 0.53 0.07 0.41 0.02 -0.69 -0.71 113.55 113.41 1iku h SER 107 Ca 0.07 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1iku h SER 107 Cb 0.01 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1iku h SER 107 CO -0.01 0.56 -0.10 0.25 -1.14 0.00 0.00 176.83 176.38 1iku h LEU 108 N 0.56 0.08 0.00 5.07 5.85 0.06 -2.00 115.31 124.93 1iku h LEU 108 Ca 0.13 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1iku h LEU 108 Cb 0.26 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1iku h LEU 108 CO 0.00 0.20 -0.81 -1.22 -0.34 0.00 0.00 178.44 176.26 1iku n TYR 109 N -4.37 0.13 0.54 1.25 4.01 -0.68 -4.17 117.16 113.87 1iku n TYR 109 Ca -0.02 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1iku n TYR 109 Cb 0.20 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 1iku n TYR 109 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1iku n ASP 110 N -1.71 2.34 0.00 7.72 -0.08 -0.36 -4.50 116.55 119.96 1iku n ASP 110 Ca 0.04 -1.49 0.00 0.00 -1.51 0.00 0.00 54.79 51.83 1iku n ASP 110 Cb 0.38 -0.42 0.00 0.00 2.34 0.00 0.00 41.12 43.42 1iku n ASP 110 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1iku n VAL 111 N 0.80 0.00 -2.09 5.18 0.24 -1.26 -4.51 118.33 116.68 1iku n VAL 111 Ca 0.00 0.55 -0.04 0.00 -2.04 0.00 0.00 64.34 62.80 1iku n VAL 111 Cb 0.35 -1.38 0.09 0.00 -1.47 0.00 0.00 33.84 31.43 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 -0.06 2.53 0.00 -1.34 8.00 -1.26 -4.89 116.55 119.51 1iku n ASP 112 Ca 0.00 -3.20 0.00 0.00 0.71 0.00 0.00 54.79 52.30 1iku n ASP 112 Cb 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 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 -0.61 0.32 0.00 0.44 0.00 -1.26 -4.99 105.19 99.09 1iku n GLY 113 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1iku n GLY 113 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iku n ASN 114 N -1.18 0.00 0.00 1.61 5.03 -1.26 -4.92 115.26 114.54 1iku n ASN 114 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1iku n ASN 114 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1iku n ASN 114 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1iku n GLY 115 N 0.00 0.86 3.33 7.41 0.00 -1.26 -5.06 105.19 110.47 1iku n GLY 115 Ca 0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 0.00 0.07 2.61 -4.23 -1.26 -3.94 115.64 106.89 1iku s THR 116 Ca 0.00 -1.80 0.07 0.00 -1.18 0.00 0.00 61.69 58.78 1iku s THR 116 Cb 0.00 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 1iku s THR 116 CO 0.00 0.00 -0.18 -0.51 -0.54 0.00 0.00 174.62 173.39 1iku s ILE 117 N -4.10 1.49 0.42 2.99 2.07 -0.77 -4.78 121.20 118.52 1iku s ILE 117 Ca 0.33 -1.31 0.07 0.00 -1.41 0.00 0.00 60.65 58.34 1iku s ILE 117 Cb 0.04 -1.34 -0.03 0.00 0.13 0.00 0.00 42.46 41.27 1iku s ILE 117 CO 0.11 -0.00 0.34 -0.55 -1.91 0.00 0.00 174.94 172.93 1iku s SER 118 N -1.53 4.89 0.10 4.50 0.15 -1.26 -2.64 113.70 117.91 1iku s SER 118 Ca 0.04 -0.84 -0.31 0.00 0.70 0.00 0.00 55.95 55.54 1iku s SER 118 Cb -0.09 -0.50 -0.12 0.00 -1.71 0.00 0.00 66.02 63.60 1iku s SER 118 CO 0.03 -0.65 1.60 0.50 1.20 0.00 0.00 173.24 175.92 1iku h LYS 119 N 1.10 -0.68 -1.33 5.44 3.64 -1.88 -1.46 116.57 121.40 1iku h LYS 119 Ca -0.41 0.05 0.47 0.00 -1.27 0.00 0.00 60.65 59.48 1iku h LYS 119 Cb 1.26 0.15 -0.14 0.00 -0.41 0.00 0.00 32.23 33.09 1iku h LYS 119 CO 0.60 -0.45 0.84 -0.97 -2.27 0.00 0.00 179.45 177.20 1iku h ASN 120 N -0.70 0.22 -0.17 4.20 -0.73 -1.99 1.32 115.58 117.73 1iku h ASN 120 Ca -0.00 0.17 -0.05 0.00 1.87 0.00 0.00 56.30 58.28 1iku h ASN 120 Cb 0.68 0.17 -0.00 0.00 0.27 0.00 0.00 38.32 39.43 1iku h ASN 120 CO -0.14 -0.28 -0.10 -0.33 -0.37 0.00 0.00 177.43 176.21 1iku h GLU 121 N 0.01 0.37 -0.82 6.67 4.39 -1.68 -2.23 114.58 121.30 1iku h GLU 121 Ca 0.87 -0.17 0.06 0.00 0.34 0.00 0.00 59.36 60.46 1iku h GLU 121 Cb 2.74 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 31.32 1iku h GLU 121 CO -0.50 0.69 0.50 0.28 -1.16 0.00 0.00 179.01 178.82 1iku h VAL 122 N 0.04 1.03 0.05 3.13 2.07 0.20 -2.10 116.25 120.66 1iku h VAL 122 Ca 0.04 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1iku h VAL 122 Cb 0.59 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1iku h VAL 122 CO 0.03 0.17 -0.12 0.25 0.02 0.00 0.00 177.57 177.92 1iku h LEU 123 N 0.91 -0.33 -0.61 2.57 5.85 -0.94 -1.87 115.31 120.89 1iku h LEU 123 Ca 0.36 0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.23 1iku h LEU 123 Cb 0.17 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.21 1iku h LEU 123 CO -0.17 -0.17 -0.32 -0.33 -0.34 0.00 0.00 178.44 177.10 1iku h GLU 124 N -0.22 -0.14 0.08 1.25 5.08 -0.76 0.48 114.58 120.35 1iku h GLU 124 Ca 0.03 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1iku h GLU 124 Cb 0.25 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1iku h GLU 124 CO -0.08 -0.09 -0.32 0.82 -1.00 0.00 0.00 179.01 178.33 1iku h ILE 125 N -0.14 0.31 -0.22 3.13 2.04 -1.16 0.12 117.51 121.58 1iku h ILE 125 Ca 0.24 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.17 1iku h ILE 125 Cb 0.55 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1iku h ILE 125 CO -0.69 0.00 0.16 0.58 0.00 0.00 0.00 178.15 178.20 1iku h VAL 126 N -0.52 0.87 0.00 1.67 2.07 -0.34 -0.44 116.25 119.56 1iku h VAL 126 Ca 0.04 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.40 1iku h VAL 126 Cb 0.57 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1iku h VAL 126 CO -0.22 0.00 -0.77 0.74 0.02 0.00 0.00 177.57 177.34 1iku h THR 127 N 0.00 1.40 -0.03 2.57 2.02 0.14 -1.78 112.91 117.23 1iku h THR 127 Ca 0.11 -2.78 -0.01 0.00 0.77 0.00 0.00 66.41 64.50 1iku h THR 127 Cb 0.43 2.56 -0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1iku h THR 127 CO -0.00 0.75 -0.02 0.00 0.37 0.00 0.00 175.52 176.63 1iku h ALA 128 N 1.23 0.04 -0.19 6.16 0.00 0.87 -2.32 119.26 125.05 1iku h ALA 128 Ca -0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1iku h ALA 128 Cb 1.50 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1iku h ALA 128 CO 0.10 -0.22 -0.25 0.82 0.00 0.00 0.00 179.25 179.70 1iku h ILE 129 N -0.35 1.34 0.34 0.00 2.04 -1.51 -2.66 117.51 116.70 1iku h ILE 129 Ca 0.01 -1.45 -0.00 0.00 1.00 0.00 0.00 64.86 64.42 1iku h ILE 129 Cb 0.46 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 1iku h ILE 129 CO 0.00 0.44 -0.39 0.15 0.00 0.00 0.00 178.15 178.36 1iku h PHE 130 N 0.16 -1.05 -0.93 1.37 3.57 -1.38 0.78 116.94 119.46 1iku h PHE 130 Ca 0.02 0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.77 1iku h PHE 130 Cb 0.82 0.42 -0.06 0.00 2.79 0.00 0.00 35.95 39.92 1iku h PHE 130 CO 0.09 -0.53 0.63 0.87 -2.23 0.00 0.00 178.31 177.14 1iku h LYS 131 N -0.76 0.23 -0.02 1.11 1.79 -1.47 0.00 116.57 117.44 1iku h LYS 131 Ca -0.02 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1iku h LYS 131 Cb 0.70 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1iku h LYS 131 CO -0.09 0.15 -0.00 1.98 -1.08 0.00 0.00 179.45 180.41 1iku h MET 132 N 0.23 0.03 -6.26 3.15 4.05 -0.57 -3.44 114.93 112.12 1iku h MET 132 Ca 0.47 -0.01 -0.67 0.00 -0.28 0.00 0.00 59.70 59.21 1iku h MET 132 Cb 1.46 -0.00 0.08 0.00 -0.80 0.00 0.00 31.60 32.34 1iku h MET 132 CO -0.12 0.34 0.19 -0.89 0.23 0.00 0.00 176.91 176.65 1iku n ILE 133 N -4.92 0.81 -1.43 1.77 5.41 -0.01 -4.84 119.36 116.15 1iku n ILE 133 Ca -0.08 -0.20 -0.33 0.00 1.00 0.00 0.00 62.75 63.14 1iku n ILE 133 Cb 0.18 -0.66 0.09 0.00 -0.71 0.00 0.00 39.64 38.53 1iku n ILE 133 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1iku s SER 134 N -0.05 4.34 0.62 4.38 1.04 -1.26 -4.86 113.70 117.91 1iku s SER 134 Ca 0.75 2.19 0.34 0.00 0.48 0.00 0.00 55.95 59.72 1iku s SER 134 Cb -0.92 -2.57 1.98 0.00 0.10 0.00 0.00 66.02 64.61 1iku s SER 134 CO 0.53 -2.15 2.24 1.55 0.98 0.00 0.00 173.24 176.38 1iku h PRO 135 N -0.44 0.00 0.00 4.02 0.13 -1.94 -2.42 132.00 131.35 1iku h PRO 135 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1iku h PRO 135 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1iku h PRO 135 CO 0.50 0.00 -0.62 0.93 -0.23 0.00 0.00 178.00 178.58 1iku h GLU 136 N 0.00 0.00 0.00 0.86 4.39 -2.01 -3.33 114.58 114.49 1iku h GLU 136 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1iku h GLU 136 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1iku h GLU 136 CO -0.00 0.49 0.16 -0.25 -1.16 0.00 0.00 179.01 178.26 1iku n ASP 137 N -4.58 0.23 0.04 1.42 8.00 -1.12 -0.41 116.55 120.13 1iku n ASP 137 Ca -0.15 0.51 0.07 0.00 0.71 0.00 0.00 54.79 55.93 1iku n ASP 137 Cb 0.40 -0.51 0.33 0.00 -0.02 0.00 0.00 41.12 41.32 1iku n ASP 137 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1iku n THR 138 N -1.78 1.08 0.32 -3.53 -1.04 -0.93 -1.70 114.28 106.71 1iku n THR 138 Ca -0.01 0.30 0.15 0.00 -2.04 0.00 0.00 64.05 62.46 1iku n THR 138 Cb 0.18 -1.13 0.59 0.00 -1.82 0.00 0.00 70.33 68.14 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 0.00 0.00 -2.82 3.64 -0.96 -2.49 116.57 113.94 1iku h LYS 139 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1iku h LYS 139 Cb 0.23 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1iku h LYS 139 CO 0.00 0.00 -0.03 0.45 -2.27 0.00 0.00 179.45 177.60 1iku h HIS 140 N 0.00 0.00 -3.29 1.91 3.86 -1.55 -3.42 115.15 112.66 1iku h HIS 140 Ca 0.00 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.63 1iku h HIS 140 Cb 0.50 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.91 1iku h HIS 140 CO 0.00 0.03 -0.08 -0.51 0.86 0.00 0.00 177.93 178.22 1iku s LEU 141 N -6.27 4.35 0.89 2.43 1.43 -0.94 -5.05 118.68 115.53 1iku s LEU 141 Ca 0.01 0.98 -0.11 0.00 -1.03 0.00 0.00 54.13 53.99 1iku s LEU 141 Cb 0.09 -2.79 0.13 0.00 0.03 0.00 0.00 46.19 43.65 1iku s LEU 141 CO 0.56 0.07 1.16 -0.81 0.23 0.00 0.00 176.35 177.55 1iku n PRO 142 N 3.13 -0.28 0.14 1.29 -0.04 -1.26 -4.91 135.00 133.07 1iku n PRO 142 Ca -0.07 -0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1iku n PRO 142 Cb 0.51 -2.39 0.30 0.00 -0.04 0.00 0.00 33.50 31.88 1iku n PRO 142 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1iku h GLU 143 N -1.62 0.00 0.00 0.54 4.11 -1.96 -3.21 114.58 112.44 1iku h GLU 143 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1iku h GLU 143 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1iku h GLU 143 CO 0.42 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.25 1iku n ASP 144 N -2.54 0.00 -2.69 3.06 8.00 -1.26 -3.34 116.55 117.78 1iku n ASP 144 Ca 0.05 0.19 -0.06 0.00 0.71 0.00 0.00 54.79 55.68 1iku n ASP 144 Cb 0.47 -0.24 0.10 0.00 -0.02 0.00 0.00 41.12 41.43 1iku n ASP 144 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1iku n GLU 145 N -1.24 0.53 -1.10 -1.24 0.28 -1.21 -5.01 120.64 111.66 1iku n GLU 145 Ca 0.01 -1.25 -0.25 0.00 -0.16 0.00 0.00 57.16 55.51 1iku n GLU 145 Cb 0.02 -0.56 0.05 0.00 1.43 0.00 0.00 31.44 32.38 1iku n GLU 145 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1iku n ASN 146 N 0.51 7.02 -3.77 -1.84 4.05 -1.21 -4.63 115.26 115.38 1iku n ASN 146 Ca -0.00 -3.39 -0.13 0.00 0.45 0.00 0.00 54.58 51.51 1iku n ASN 146 Cb 0.73 -1.03 -0.13 0.00 1.23 0.00 0.00 39.78 40.58 1iku n ASN 146 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1iku s THR 147 N -3.41 -0.03 -0.07 -0.44 -4.23 -1.26 -4.99 115.64 101.22 1iku s THR 147 Ca 0.46 0.09 0.16 0.00 -1.18 0.00 0.00 61.69 61.23 1iku s THR 147 Cb 0.36 -0.28 0.16 0.00 1.34 0.00 0.00 72.50 74.08 1iku s THR 147 CO -0.01 0.04 1.43 -2.65 -0.54 0.00 0.00 174.62 172.88 1iku n PRO 148 N 3.68 0.11 0.06 3.99 -0.02 -1.26 -0.15 135.00 141.41 1iku n PRO 148 Ca -0.20 0.59 -0.19 0.00 -2.02 0.00 0.00 63.50 61.68 1iku n PRO 148 Cb 0.55 -2.04 -0.14 0.00 -0.02 0.00 0.00 33.50 31.85 1iku n PRO 148 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1iku h GLU 149 N 0.00 0.29 0.00 -0.52 4.39 -1.96 -2.75 114.58 114.03 1iku h GLU 149 Ca 0.00 -0.50 -0.08 0.00 0.34 0.00 0.00 59.36 59.12 1iku h GLU 149 Cb 0.38 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1iku h GLU 149 CO 0.00 1.17 -0.37 0.87 -1.16 0.00 0.00 179.01 179.51 1iku h LYS 150 N 0.08 0.00 0.03 2.33 1.79 -0.89 -2.27 116.57 117.64 1iku h LYS 150 Ca -0.28 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.03 1iku h LYS 150 Cb 2.05 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.71 1iku h LYS 150 CO 0.16 0.37 -0.64 -0.09 -1.08 0.00 0.00 179.45 178.17 1iku h ARG 151 N 0.00 0.38 -0.06 3.15 2.43 -1.21 -2.80 114.38 116.27 1iku h ARG 151 Ca -0.00 -0.45 -0.14 0.00 -0.81 0.00 0.00 59.98 58.57 1iku h ARG 151 Cb 1.27 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.95 1iku h ARG 151 CO 0.05 1.13 -0.61 0.00 -1.51 0.00 0.00 179.97 179.03 1iku h ALA 152 N 0.26 0.86 -0.24 2.80 0.00 -1.54 -2.86 119.26 118.54 1iku h ALA 152 Ca -0.09 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1iku h ALA 152 Cb 1.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1iku h ALA 152 CO 0.13 0.74 0.13 0.93 0.00 0.00 0.00 179.25 181.17 1iku h GLU 153 N 0.15 0.34 -0.42 0.00 5.08 -1.46 0.06 114.58 118.34 1iku h GLU 153 Ca -0.01 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1iku h GLU 153 Cb 1.11 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1iku h GLU 153 CO 0.09 0.33 0.22 0.87 -1.00 0.00 0.00 179.01 179.52 1iku h LYS 154 N 0.27 0.44 -0.84 2.33 1.57 -1.43 0.72 116.57 119.63 1iku h LYS 154 Ca 0.08 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1iku h LYS 154 Cb 0.09 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1iku h LYS 154 CO -0.01 0.29 0.47 0.82 -0.57 0.00 0.00 179.45 180.45 1iku h ILE 155 N 0.45 1.24 0.00 1.86 2.04 -1.26 -0.95 117.51 120.89 1iku h ILE 155 Ca 0.17 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1iku h ILE 155 Cb 0.06 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1iku h ILE 155 CO -0.11 0.26 -0.01 -0.25 0.00 0.00 0.00 178.15 178.04 1iku h TRP 156 N 1.16 0.00 0.09 1.37 2.91 -0.19 -1.49 115.95 119.80 1iku h TRP 156 Ca 0.30 0.00 -0.25 0.00 1.13 0.00 0.00 58.89 60.06 1iku h TRP 156 Cb -0.00 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1iku h TRP 156 CO 0.01 0.00 -1.14 0.78 -1.03 0.00 0.00 178.44 177.06 1iku h GLY 157 N 4.38 0.32 0.77 2.65 0.00 0.17 -3.32 103.07 108.05 1iku h GLY 157 Ca 0.00 -0.73 -0.32 0.00 0.00 0.00 0.00 47.33 46.27 1iku h GLY 157 CO 0.00 0.64 -1.87 0.69 0.00 0.00 0.00 176.54 176.00 1iku n PHE 158 N -3.58 1.02 0.00 5.60 3.72 -0.68 -4.24 117.46 119.29 1iku n PHE 158 Ca -0.07 0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 1iku n PHE 158 Cb 0.96 -1.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 1iku n PHE 158 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1iku n PHE 159 N -3.19 0.00 0.00 1.38 3.72 -0.56 -4.74 117.46 114.07 1iku n PHE 159 Ca -0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 1iku n PHE 159 Cb 1.05 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 1iku n PHE 159 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iku n GLY 160 N -0.99 0.26 0.00 1.37 0.00 -1.25 -5.06 105.19 99.52 1iku n GLY 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iku n GLY 160 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1iku n LYS 161 N 0.00 0.00 -2.97 1.61 4.81 -1.26 -5.00 118.16 115.35 1iku n LYS 161 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.26 1iku n LYS 161 Cb 0.00 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.07 1iku n LYS 161 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1iku s LYS 162 N 0.00 2.69 -0.04 1.64 1.02 -1.26 -4.93 119.74 118.86 1iku s LYS 162 Ca 0.00 -1.26 -0.01 0.00 0.02 0.00 0.00 55.97 54.72 1iku s LYS 162 Cb 0.00 -2.71 -0.26 0.00 -0.52 0.00 0.00 37.83 34.34 1iku s LYS 162 CO 0.00 -0.43 0.70 0.38 -0.92 0.00 0.00 175.35 175.08 1iku h ASP 163 N 0.49 0.32 0.05 2.83 2.03 -2.01 -3.27 116.42 116.85 1iku h ASP 163 Ca -0.38 -0.54 0.00 0.00 -0.73 0.00 0.00 57.03 55.37 1iku h ASP 163 Cb 1.28 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1iku h ASP 163 CO 0.45 1.47 0.00 -0.67 -1.03 0.00 0.00 179.24 179.46 1iku n ASP 164 N -3.38 0.00 -4.74 4.15 2.03 -1.26 -4.79 116.55 108.55 1iku n ASP 164 Ca -0.20 -0.49 -0.30 0.00 0.52 0.00 0.00 54.79 54.32 1iku n ASP 164 Cb 1.05 -0.04 0.12 0.00 -0.72 0.00 0.00 41.12 41.52 1iku n ASP 164 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1iku s ASP 165 N -2.08 3.96 -0.00 1.67 2.15 -1.24 -5.06 116.67 116.06 1iku s ASP 165 Ca 0.26 1.59 -0.01 0.00 0.43 0.00 0.00 52.55 54.82 1iku s ASP 165 Cb 0.13 -2.29 -0.00 0.00 -0.30 0.00 0.00 42.92 40.46 1iku s ASP 165 CO 0.22 -2.35 0.01 -0.54 -0.17 0.00 0.00 175.17 172.34 1iku s LYS 166 N -4.94 0.06 -0.16 4.34 1.02 -1.26 -4.80 119.74 113.99 1iku s LYS 166 Ca 0.62 -0.06 -0.14 0.00 0.02 0.00 0.00 55.97 56.41 1iku s LYS 166 Cb -0.17 0.02 -0.05 0.00 -0.52 0.00 0.00 37.83 37.12 1iku s LYS 166 CO 0.56 -0.01 0.31 -0.51 -0.92 0.00 0.00 175.35 174.78 1iku s LEU 167 N -0.19 4.24 0.58 3.17 1.43 -1.08 -4.92 118.68 121.91 1iku s LEU 167 Ca -0.02 0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1iku s LEU 167 Cb -0.01 -2.40 0.04 0.00 0.03 0.00 0.00 46.19 43.85 1iku s LEU 167 CO -0.00 0.08 0.82 -0.89 0.23 0.00 0.00 176.35 176.58 1iku s THR 168 N 0.55 2.58 0.05 5.49 2.01 -1.26 -1.84 115.64 123.22 1iku s THR 168 Ca 0.17 -0.61 -0.13 0.00 0.31 0.00 0.00 61.69 61.43 1iku s THR 168 Cb -0.13 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 1iku s THR 168 CO 0.05 0.00 1.21 -0.08 -0.69 0.00 0.00 174.62 175.11 1iku h GLU 169 N -0.05 -0.17 0.00 4.92 4.81 -1.99 0.36 114.58 122.47 1iku h GLU 169 Ca -0.42 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1iku h GLU 169 Cb 1.30 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 1iku h GLU 169 CO 0.52 -0.12 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.41 1iku h LYS 170 N -0.18 0.00 0.02 1.92 3.64 -1.95 -2.45 116.57 117.57 1iku h LYS 170 Ca 0.02 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.17 1iku h LYS 170 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1iku h LYS 170 CO -0.21 0.06 -0.99 0.93 -2.27 0.00 0.00 179.45 176.96 1iku h GLU 171 N 0.00 0.40 -0.00 1.90 5.08 -1.51 -1.26 114.58 119.18 1iku h GLU 171 Ca -0.00 -0.46 -0.21 0.00 -1.00 0.00 0.00 59.36 57.69 1iku h GLU 171 Cb 0.32 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1iku h GLU 171 CO 0.01 1.13 -0.91 0.35 -1.00 0.00 0.00 179.01 178.59 1iku h PHE 172 N 0.21 0.48 0.03 4.33 3.57 -0.03 0.18 116.94 125.71 1iku h PHE 172 Ca -0.09 -0.26 -0.00 0.00 3.53 0.00 0.00 57.97 61.15 1iku h PHE 172 Cb 1.64 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.32 1iku h PHE 172 CO 0.06 1.07 -0.01 0.82 -2.23 0.00 0.00 178.31 178.02 1iku h ILE 173 N 0.18 1.42 0.00 1.41 1.08 -1.49 -2.69 117.51 117.42 1iku h ILE 173 Ca -0.06 -1.63 -0.11 0.00 -0.39 0.00 0.00 64.86 62.67 1iku h ILE 173 Cb 1.54 2.47 -0.02 0.00 -3.07 0.00 0.00 36.82 37.74 1iku h ILE 173 CO 0.15 0.40 -0.51 -0.33 -0.69 0.00 0.00 178.15 177.17 1iku h GLU 174 N -0.78 0.00 -0.64 2.37 5.08 -1.32 -1.19 114.58 118.10 1iku h GLU 174 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1iku h GLU 174 Cb 0.69 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1iku h GLU 174 CO 0.01 0.51 0.13 0.78 -1.00 0.00 0.00 179.01 179.43 1iku h GLY 175 N 1.69 1.12 0.12 -3.84 0.00 -0.68 0.21 103.07 101.69 1iku h GLY 175 Ca -0.01 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 1iku h GLY 175 CO 0.07 0.66 -0.01 -0.91 0.00 0.00 0.00 176.54 176.35 1iku h THR 176 N 0.98 1.54 0.14 4.70 1.35 -1.27 -3.04 112.91 117.30 1iku h THR 176 Ca 0.20 -1.95 -0.00 0.00 -0.55 0.00 0.00 66.41 64.11 1iku h THR 176 Cb 0.39 2.81 -0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1iku h THR 176 CO 0.01 0.48 -0.09 0.25 -0.25 0.00 0.00 175.52 175.92 1iku h LEU 177 N -0.89 -0.23 0.00 3.87 6.46 -1.21 -3.28 115.31 120.03 1iku h LEU 177 Ca -0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1iku h LEU 177 Cb 0.81 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1iku h LEU 177 CO 0.00 -0.15 0.00 0.00 -0.62 0.00 0.00 178.44 177.67 1iku n ALA 178 N -2.23 -0.31 -1.77 1.25 0.00 0.75 -4.59 120.51 113.61 1iku n ALA 178 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.97 1iku n ALA 178 Cb 0.13 0.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 1iku n ALA 178 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1iku s ASN 179 N -2.37 6.91 0.00 0.00 3.04 -1.15 -4.95 114.94 116.41 1iku s ASN 179 Ca 0.00 2.25 -0.01 0.00 0.04 0.00 0.00 52.86 55.15 1iku s ASN 179 Cb 0.00 -2.61 -0.27 0.00 -1.54 0.00 0.00 41.25 36.83 1iku s ASN 179 CO 0.00 -0.40 0.84 0.07 -3.04 0.00 0.00 177.10 174.57 1iku h LYS 180 N 3.13 0.20 0.08 0.43 2.10 -1.81 -3.27 116.57 117.43 1iku h LYS 180 Ca -0.48 -0.34 -0.00 0.00 -2.00 0.00 0.00 60.65 57.83 1iku h LYS 180 Cb 1.22 0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 32.67 1iku h LYS 180 CO 0.64 1.04 -0.09 0.93 -2.00 0.00 0.00 179.45 179.97 1iku h GLU 181 N 0.05 -0.17 -0.91 0.07 3.07 -1.92 0.11 114.58 114.88 1iku h GLU 181 Ca -0.24 0.01 0.25 0.00 -0.50 0.00 0.00 59.36 58.89 1iku h GLU 181 Cb 2.00 0.04 -0.14 0.00 -0.84 0.00 0.00 28.75 29.80 1iku h GLU 181 CO 0.15 -0.11 0.34 0.82 -1.40 0.00 0.00 179.01 178.80 1iku h ILE 182 N -0.17 0.33 -0.14 3.13 2.04 -1.88 0.17 117.51 121.00 1iku h ILE 182 Ca -0.01 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.79 1iku h ILE 182 Cb 0.15 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 1iku h ILE 182 CO -0.01 0.05 -0.03 0.25 0.00 0.00 0.00 178.15 178.41 1iku h LEU 183 N 0.27 -0.12 0.00 1.44 5.85 -1.50 0.48 115.31 121.72 1iku h LEU 183 Ca 0.60 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.36 1iku h LEU 183 Cb 1.24 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1iku h LEU 183 CO -0.63 -0.04 0.00 0.54 -0.34 0.00 0.00 178.44 177.97 1iku n ARG 184 N -5.16 0.10 -0.02 1.25 1.74 0.38 -1.89 116.66 113.06 1iku n ARG 184 Ca -0.04 0.12 0.08 0.00 -0.77 0.00 0.00 57.85 57.25 1iku n ARG 184 Cb 0.09 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.88 1iku n ARG 184 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1iku n LEU 185 N -1.43 0.00 -0.11 0.55 4.77 0.15 -1.99 117.00 118.94 1iku n LEU 185 Ca 0.07 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 1iku n LEU 185 Cb 0.22 0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 1iku n LEU 185 CO 0.18 0.04 -0.76 0.00 -1.33 0.00 0.00 177.39 175.52 1iku n ILE 186 N -2.22 1.54 0.98 -0.08 0.00 0.15 -4.08 119.36 115.66 1iku n ILE 186 Ca -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 62.75 62.56 1iku n ILE 186 Cb 0.56 -1.99 0.00 0.00 0.00 0.00 0.00 39.64 38.21 1iku n ILE 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iku n GLN 187 N -4.35 0.92 -2.39 9.51 6.02 -0.79 -4.91 117.38 121.38 1iku n GLN 187 Ca -0.38 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.60 1iku n GLN 187 Cb 0.74 -1.43 -0.01 0.00 1.02 0.00 0.00 30.24 30.57 1iku n GLN 187 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1iku n PHE 188 N 0.00 -3.57 0.00 1.08 7.35 -1.26 -4.87 117.46 116.19 1iku n PHE 188 Ca 0.00 2.12 0.00 0.00 -0.76 0.00 0.00 57.45 58.81 1iku n PHE 188 Cb 0.21 -3.15 0.00 0.00 0.35 0.00 0.00 39.48 36.89 1iku n PHE 188 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09