#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 -0.02 0.41 1.61 2.47 -1.26 -4.40 114.94 113.75 1iku s ASN 3 Ca 0.00 -0.85 0.23 0.00 0.42 0.00 0.00 52.86 52.66 1iku s ASN 3 Cb 0.00 0.66 0.36 0.00 -1.45 0.00 0.00 41.25 40.82 1iku s ASN 3 CO 0.00 -1.29 1.59 0.28 -3.72 0.00 0.00 177.10 173.96 1iku h SER 4 N 2.00 0.00 0.90 -4.21 0.02 -1.95 -3.33 113.55 106.98 1iku h SER 4 Ca -0.29 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.62 1iku h SER 4 Cb 1.23 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.78 1iku h SER 4 CO 0.36 0.00 -0.43 0.11 -1.14 0.00 0.00 176.83 175.73 1iku h LYS 5 N 0.00 -1.17 0.00 3.45 1.57 -1.95 -1.92 116.57 116.55 1iku h LYS 5 Ca 0.00 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1iku h LYS 5 Cb 0.98 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1iku h LYS 5 CO 0.00 -0.78 0.17 1.03 -0.57 0.00 0.00 179.45 179.31 1iku h SER 6 N -1.29 0.00 0.62 0.86 0.87 -1.82 0.34 113.55 113.14 1iku h SER 6 Ca -0.12 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.31 1iku h SER 6 Cb 0.93 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 1iku h SER 6 CO 0.20 0.00 -0.62 1.23 -0.53 0.00 0.00 176.83 177.11 1iku h GLY 7 N 0.00 0.00 0.24 5.77 0.00 -1.46 -2.48 103.07 105.14 1iku h GLY 7 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1iku h GLY 7 CO 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 176.43 1iku h ALA 8 N 1.38 -0.30 -0.97 3.60 0.00 -0.17 -2.82 119.26 119.98 1iku h ALA 8 Ca -0.01 -0.09 0.25 0.00 0.00 0.00 0.00 54.91 55.06 1iku h ALA 8 Cb 1.10 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 1iku h ALA 8 CO 0.08 -0.28 0.52 -0.07 0.00 0.00 0.00 179.25 179.50 1iku h LEU 9 N -1.07 0.53 -0.42 0.00 3.38 -1.61 0.26 115.31 116.39 1iku h LEU 9 Ca -0.03 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1iku h LEU 9 Cb 0.27 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1iku h LEU 9 CO 0.05 0.04 0.25 -1.28 0.09 0.00 0.00 178.44 177.59 1iku h SER 10 N 0.48 0.50 0.78 -0.43 0.87 -1.51 -1.34 113.55 112.91 1iku h SER 10 Ca 0.63 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 61.10 1iku h SER 10 Cb 1.23 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1iku h SER 10 CO -0.51 0.40 -0.48 0.50 -0.53 0.00 0.00 176.83 176.21 1iku h LYS 11 N 0.55 -1.14 -0.62 2.24 3.64 -0.26 0.11 116.57 121.10 1iku h LYS 11 Ca 0.15 0.08 0.13 0.00 -1.27 0.00 0.00 60.65 59.73 1iku h LYS 11 Cb -0.01 0.26 -0.11 0.00 -0.41 0.00 0.00 32.23 31.96 1iku h LYS 11 CO -0.03 -0.76 -0.10 0.93 -2.27 0.00 0.00 179.45 177.23 1iku h GLU 12 N -1.18 0.04 0.36 1.90 5.08 -1.28 0.56 114.58 120.06 1iku h GLU 12 Ca -0.10 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1iku h GLU 12 Cb 0.95 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1iku h GLU 12 CO 0.10 0.03 -0.23 0.82 -1.00 0.00 0.00 179.01 178.73 1iku h ILE 13 N 0.04 0.53 0.00 3.13 2.04 -1.01 -1.20 117.51 121.04 1iku h ILE 13 Ca 0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.17 1iku h ILE 13 Cb 0.49 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1iku h ILE 13 CO -0.60 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.73 1iku n LEU 14 N -5.36 0.00 -0.02 1.44 4.77 0.35 -2.57 117.00 115.61 1iku n LEU 14 Ca -0.10 0.46 -0.17 0.00 -0.03 0.00 0.00 56.01 56.17 1iku n LEU 14 Cb 0.26 -0.46 -0.14 0.00 -2.33 0.00 0.00 43.42 40.76 1iku n LEU 14 CO 0.33 -0.27 0.18 -0.33 -1.33 0.00 0.00 177.39 175.97 1iku h GLU 15 N 0.00 0.14 -0.15 3.23 4.39 0.13 -3.19 114.58 119.13 1iku h GLU 15 Ca 0.00 -0.24 -0.11 0.00 0.34 0.00 0.00 59.36 59.35 1iku h GLU 15 Cb 0.18 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1iku h GLU 15 CO 0.00 1.11 -0.39 1.49 -1.16 0.00 0.00 179.01 180.07 1iku h GLU 16 N -0.70 0.34 0.00 2.33 4.81 -1.26 -3.32 114.58 116.77 1iku h GLU 16 Ca -0.08 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1iku h GLU 16 Cb 1.32 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1iku h GLU 16 CO 0.06 0.68 0.00 -0.11 -0.73 0.00 0.00 179.01 178.91 1iku n LEU 17 N -4.04 0.00 0.00 1.64 0.00 -1.06 -4.83 117.00 108.71 1iku n LEU 17 Ca -0.01 0.67 0.00 0.00 0.00 0.00 0.00 56.01 56.67 1iku n LEU 17 Cb 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 43.42 43.72 1iku n LEU 17 CO 0.42 -0.17 0.00 1.67 0.00 0.00 0.00 177.39 179.31 1iku n GLN 18 N -1.53 0.00 -0.59 1.96 7.27 -1.25 -5.11 117.38 118.13 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 -2.77 1.69 4.77 -1.20 -4.98 117.00 114.51 1iku n LEU 19 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1iku n LEU 19 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1iku n LEU 19 CO 0.00 -0.47 0.44 0.54 -1.33 0.00 0.00 177.39 176.57 1iku s ASN 20 N -1.00 -0.43 -0.76 -1.43 2.20 -1.26 -4.43 114.94 107.83 1iku s ASN 20 Ca 0.00 -0.31 -0.25 0.00 -0.94 0.00 0.00 52.86 51.36 1iku s ASN 20 Cb 0.00 0.56 -0.03 0.00 -2.00 0.00 0.00 41.25 39.78 1iku s ASN 20 CO 0.00 -0.04 1.88 0.28 -2.94 0.00 0.00 177.10 176.28 1iku s THR 21 N 1.65 3.42 -1.70 0.54 -1.32 -1.23 -4.76 115.64 112.24 1iku s THR 21 Ca 0.18 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 1iku s THR 21 Cb 0.05 -4.02 0.00 0.00 -1.51 0.00 0.00 72.50 67.02 1iku s THR 21 CO -0.13 -0.97 0.32 0.29 -2.21 0.00 0.00 174.62 171.92 1iku n LYS 22 N 9.03 0.00 -3.22 7.08 5.02 -1.26 -4.53 118.16 130.27 1iku n LYS 22 Ca 0.30 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.20 1iku n LYS 22 Cb 0.50 -1.37 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 1iku n LYS 22 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1iku s PHE 23 N -1.81 3.58 1.09 2.13 0.40 -1.26 -5.04 117.98 117.07 1iku s PHE 23 Ca 0.00 1.07 -0.16 0.00 -0.60 0.00 0.00 56.93 57.23 1iku s PHE 23 Cb 0.00 -2.62 0.12 0.00 0.51 0.00 0.00 43.02 41.03 1iku s PHE 23 CO 0.00 0.21 0.27 2.41 0.70 0.00 0.00 175.22 178.81 1iku n THR 24 N 3.39 0.00 0.07 0.64 -1.04 -1.26 -4.86 114.28 111.22 1iku n THR 24 Ca -0.06 -0.30 -0.08 0.00 -2.04 0.00 0.00 64.05 61.58 1iku n THR 24 Cb 0.51 -0.68 0.06 0.00 -1.82 0.00 0.00 70.33 68.41 1iku n THR 24 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1iku h GLU 25 N -2.07 0.31 -0.80 -2.82 9.09 -1.94 -3.13 114.58 113.22 1iku h GLU 25 Ca -0.53 -0.24 0.04 0.00 0.05 0.00 0.00 59.36 58.68 1iku h GLU 25 Cb 1.34 0.05 -0.05 0.00 -1.65 0.00 0.00 28.75 28.44 1iku h GLU 25 CO 0.39 0.88 0.51 0.93 0.05 0.00 0.00 179.01 181.77 1iku h GLU 26 N 0.22 0.95 -0.65 1.06 5.08 -1.90 -1.87 114.58 117.47 1iku h GLU 26 Ca -0.02 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1iku h GLU 26 Cb 1.24 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1iku h GLU 26 CO 0.11 0.63 0.41 0.93 -1.00 0.00 0.00 179.01 180.09 1iku h GLU 27 N 0.97 0.80 -0.08 2.33 4.39 -1.89 -0.76 114.58 120.34 1iku h GLU 27 Ca 0.33 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1iku h GLU 27 Cb 0.04 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1iku h GLU 27 CO -0.12 0.53 0.05 -0.07 -1.16 0.00 0.00 179.01 178.24 1iku h LEU 28 N 0.82 0.08 0.30 1.33 3.38 -1.36 0.30 115.31 120.17 1iku h LEU 28 Ca 0.25 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1iku h LEU 28 Cb -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1iku h LEU 28 CO -0.08 0.06 -0.15 -1.28 0.09 0.00 0.00 178.44 177.08 1iku h SER 29 N 0.09 -0.34 -0.72 -0.43 0.87 -0.57 0.29 113.55 112.73 1iku h SER 29 Ca 0.03 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.39 1iku h SER 29 Cb 0.01 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 1iku h SER 29 CO -0.01 -0.04 0.21 -1.28 -0.53 0.00 0.00 176.83 175.18 1iku h SER 30 N -0.66 1.07 0.43 6.23 0.87 -1.10 -2.67 113.55 117.72 1iku h SER 30 Ca -0.04 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 1iku h SER 30 Cb 0.46 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1iku h SER 30 CO 0.07 1.00 -0.21 -0.25 -0.53 0.00 0.00 176.83 176.92 1iku h TRP 31 N 1.08 -0.53 -0.15 2.24 7.01 -0.90 -1.14 115.95 123.56 1iku h TRP 31 Ca 0.23 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.24 1iku h TRP 31 Cb 0.33 0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.53 1iku h TRP 31 CO 0.03 -0.21 -0.26 -0.92 -2.79 0.00 0.00 178.44 174.29 1iku h TYR 32 N -0.90 -0.78 0.06 2.65 5.03 -0.42 2.17 116.97 124.78 1iku h TYR 32 Ca -0.06 0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.31 1iku h TYR 32 Cb 0.56 0.36 -0.03 0.00 1.55 0.00 0.00 36.73 39.17 1iku h TYR 32 CO 0.01 -0.23 -0.21 1.96 -1.32 0.00 0.00 178.16 178.37 1iku h GLN 33 N -0.21 -0.35 0.00 1.82 4.20 -1.58 0.65 115.11 119.64 1iku h GLN 33 Ca 0.03 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1iku h GLN 33 Cb 0.29 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1iku h GLN 33 CO -0.25 -0.23 0.00 0.77 -0.67 0.00 0.00 178.83 178.44 1iku h SER 34 N -0.36 0.00 0.14 1.46 0.02 -0.83 -0.47 113.55 113.50 1iku h SER 34 Ca 0.04 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.72 1iku h SER 34 Cb 0.41 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.96 1iku h SER 34 CO -0.15 0.00 -1.36 0.15 -1.14 0.00 0.00 176.83 174.33 1iku h PHE 35 N 0.00 0.54 0.00 3.45 3.57 0.53 -2.77 116.94 122.26 1iku h PHE 35 Ca 0.00 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1iku h PHE 35 Cb 0.25 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1iku h PHE 35 CO 0.00 1.53 -0.05 1.28 -2.23 0.00 0.00 178.31 178.84 1iku n LEU 36 N -3.90 0.58 0.03 0.59 4.77 0.05 -2.22 117.00 116.89 1iku n LEU 36 Ca -0.22 0.52 -0.22 0.00 -0.03 0.00 0.00 56.01 56.06 1iku n LEU 36 Cb 0.93 -0.36 -0.14 0.00 -2.33 0.00 0.00 43.42 41.51 1iku n LEU 36 CO 0.45 -0.12 -0.44 0.11 -1.33 0.00 0.00 177.39 176.07 1iku h LYS 37 N 0.00 0.30 -0.00 3.23 1.57 -1.18 -3.35 116.57 117.14 1iku h LYS 37 Ca 0.00 -0.50 -0.16 0.00 -1.87 0.00 0.00 60.65 58.12 1iku h LYS 37 Cb 0.67 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1iku h LYS 37 CO 0.00 1.24 -0.76 0.93 -0.57 0.00 0.00 179.45 180.30 1iku h GLU 38 N -0.18 0.03 -6.69 3.15 5.08 -1.54 -3.46 114.58 110.98 1iku h GLU 38 Ca -0.31 -0.02 -0.47 0.00 -1.00 0.00 0.00 59.36 57.55 1iku h GLU 38 Cb 1.86 0.01 0.23 0.00 0.50 0.00 0.00 28.75 31.35 1iku h GLU 38 CO 0.10 0.77 -1.00 0.00 -1.00 0.00 0.00 179.01 177.87 1iku h PRO 40 N -1.96 0.73 0.00 0.00 0.11 -1.88 -3.42 132.00 125.58 1iku h PRO 40 Ca -0.52 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1iku h PRO 40 Cb 1.35 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1iku h PRO 40 CO 0.37 0.48 0.00 0.43 -0.21 0.00 0.00 178.00 179.08 1iku n SER 41 N -4.53 0.00 0.00 -2.05 7.64 -1.26 -4.99 113.62 108.43 1iku n SER 41 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1iku n SER 41 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.06 -0.67 3.12 0.23 0.00 -1.26 -4.99 105.19 101.56 1iku n GLY 42 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 2.31 0.49 1.61 0.52 -1.26 -3.41 118.95 119.21 1iku s ARG 43 Ca 0.00 -1.33 -0.00 0.00 -0.52 0.00 0.00 55.73 53.88 1iku s ARG 43 Cb 0.00 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.42 1iku s ARG 43 CO 0.00 -0.61 0.72 0.96 0.02 0.00 0.00 175.30 176.39 1iku s ILE 44 N 1.17 3.74 0.44 1.52 -4.36 -0.52 -4.65 121.20 118.53 1iku s ILE 44 Ca -0.06 -0.46 0.08 0.00 -0.26 0.00 0.00 60.65 59.95 1iku s ILE 44 Cb -0.20 -3.40 0.01 0.00 1.25 0.00 0.00 42.46 40.12 1iku s ILE 44 CO -0.03 -0.30 0.52 0.42 0.24 0.00 0.00 174.94 175.79 1iku s THR 45 N -2.65 2.74 0.03 8.37 -4.23 -1.26 -0.47 115.64 118.18 1iku s THR 45 Ca 0.50 -1.14 -0.19 0.00 -1.18 0.00 0.00 61.69 59.68 1iku s THR 45 Cb -0.10 -2.88 -0.10 0.00 1.34 0.00 0.00 72.50 70.75 1iku s THR 45 CO 0.39 0.00 1.29 0.03 -0.54 0.00 0.00 174.62 175.79 1iku h ARG 46 N 0.74 -0.65 -0.85 3.99 3.08 -1.97 -0.30 114.38 118.43 1iku h ARG 46 Ca -0.39 0.04 0.25 0.00 0.07 0.00 0.00 59.98 59.95 1iku h ARG 46 Cb 1.28 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.44 1iku h ARG 46 CO 0.49 -0.43 1.10 0.37 -1.07 0.00 0.00 179.97 180.43 1iku h GLN 47 N -0.67 0.00 0.08 0.04 4.15 -1.96 1.09 115.11 117.83 1iku h GLN 47 Ca -0.06 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.03 1iku h GLN 47 Cb 0.52 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 1iku h GLN 47 CO 0.09 0.00 -1.79 0.93 -1.93 0.00 0.00 178.83 176.13 1iku h GLU 48 N 0.00 0.17 0.13 1.69 4.39 -1.78 -3.32 114.58 115.86 1iku h GLU 48 Ca 0.40 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1iku h GLU 48 Cb 2.59 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 31.35 1iku h GLU 48 CO -0.00 0.94 -0.06 0.35 -1.16 0.00 0.00 179.01 179.07 1iku h PHE 49 N 0.05 -0.16 -0.81 4.33 3.04 0.30 -2.21 116.94 121.47 1iku h PHE 49 Ca -0.34 -0.00 0.13 0.00 3.98 0.00 0.00 57.97 61.74 1iku h PHE 49 Cb 2.02 0.05 -0.06 0.00 2.56 0.00 0.00 35.95 40.53 1iku h PHE 49 CO 0.05 0.01 0.53 1.96 -2.02 0.00 0.00 178.31 178.83 1iku h GLN 50 N -0.30 0.58 -0.35 1.11 4.20 -1.61 -0.53 115.11 118.21 1iku h GLN 50 Ca -0.02 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1iku h GLN 50 Cb 0.24 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1iku h GLN 50 CO 0.03 0.38 0.02 1.15 -0.67 0.00 0.00 178.83 179.74 1iku h THR 51 N 0.59 1.25 -0.19 -0.54 2.02 -1.56 -2.35 112.91 112.13 1iku h THR 51 Ca 0.40 -0.92 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 1iku h THR 51 Cb 0.69 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1iku h THR 51 CO -0.16 0.31 -0.30 0.40 0.37 0.00 0.00 175.52 176.14 1iku h ILE 52 N 0.41 1.27 -0.28 3.11 2.04 -0.65 -0.38 117.51 123.03 1iku h ILE 52 Ca 0.10 -1.30 -0.08 0.00 1.00 0.00 0.00 64.86 64.58 1iku h ILE 52 Cb 0.42 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1iku h ILE 52 CO 0.01 0.40 -0.16 0.22 0.00 0.00 0.00 178.15 178.63 1iku h TYR 53 N 0.32 0.54 0.16 1.37 3.20 -0.95 -2.16 116.97 119.45 1iku h TYR 53 Ca 0.04 -0.09 -0.31 0.00 3.14 0.00 0.00 58.73 61.52 1iku h TYR 53 Cb 0.69 -0.14 0.01 0.00 1.54 0.00 0.00 36.73 38.83 1iku h TYR 53 CO 0.02 0.63 -1.46 1.03 -1.64 0.00 0.00 178.16 176.74 1iku h SER 54 N 0.45 0.52 -0.13 -2.11 0.87 -1.13 -1.63 113.55 110.39 1iku h SER 54 Ca 0.08 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1iku h SER 54 Cb 0.54 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1iku h SER 54 CO 0.03 1.51 0.09 0.50 -0.53 0.00 0.00 176.83 178.43 1iku h LYS 55 N 0.09 0.17 0.00 2.24 3.64 -0.92 0.87 116.57 122.66 1iku h LYS 55 Ca -0.22 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.04 1iku h LYS 55 Cb 2.04 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.81 1iku h LYS 55 CO 0.20 0.12 -0.58 0.74 -2.27 0.00 0.00 179.45 177.66 1iku h PHE 56 N 0.18 0.00 -2.08 1.91 0.04 -1.52 -3.37 116.94 112.10 1iku h PHE 56 Ca 0.05 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.28 1iku h PHE 56 Cb -0.02 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 37.73 1iku h PHE 56 CO -0.07 0.49 -0.99 1.19 -0.60 0.00 0.00 178.31 178.33 1iku n PHE 57 N -3.18 1.24 -0.04 -0.55 3.72 -0.61 -3.57 117.46 114.47 1iku n PHE 57 Ca 0.01 -3.83 -0.10 0.00 -0.05 0.00 0.00 57.45 53.48 1iku n PHE 57 Cb 0.74 -0.43 -0.04 0.00 -0.94 0.00 0.00 39.48 38.80 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 3.43 0.24 -1.99 -1.08 0.13 0.59 -2.61 132.00 130.71 1iku h PRO 58 Ca 0.11 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 1iku h PRO 58 Cb 0.81 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 1iku h PRO 58 CO 0.60 0.20 -0.08 0.39 -0.23 0.00 0.00 178.00 178.87 1iku n GLU 59 N -4.94 1.29 -4.34 0.86 1.02 -1.26 -4.79 120.64 108.48 1iku n GLU 59 Ca -0.04 -0.32 -0.19 0.00 -0.02 0.00 0.00 57.16 56.59 1iku n GLU 59 Cb 0.05 -1.29 -0.14 0.00 -0.02 0.00 0.00 31.44 30.05 1iku n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iku s ALA 60 N 0.19 0.94 0.35 0.62 0.00 -0.99 -5.00 121.76 117.88 1iku s ALA 60 Ca 0.19 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 1iku s ALA 60 Cb 0.09 -0.17 -0.11 0.00 0.00 0.00 0.00 23.12 22.93 1iku s ALA 60 CO -0.00 0.18 1.49 -0.25 0.00 0.00 0.00 175.76 177.18 1iku n ASP 61 N 2.26 3.68 0.00 0.00 9.92 -1.26 -4.78 116.55 126.37 1iku n ASP 61 Ca -0.17 1.21 0.00 0.00 -0.53 0.00 0.00 54.79 55.30 1iku n ASP 61 Cb 0.56 -1.60 0.00 0.00 -0.64 0.00 0.00 41.12 39.44 1iku n ASP 61 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1iku n PRO 62 N 0.87 0.00 -2.74 -0.24 -0.04 -1.26 -2.84 135.00 128.76 1iku n PRO 62 Ca 0.03 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.41 1iku n PRO 62 Cb 0.38 -1.39 0.07 0.00 -0.04 0.00 0.00 33.50 32.53 1iku n PRO 62 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1iku n LYS 63 N -0.86 0.91 0.00 0.54 2.85 -1.26 -4.91 118.16 115.43 1iku n LYS 63 Ca 0.00 -1.82 0.00 0.00 -1.05 0.00 0.00 58.31 55.44 1iku n LYS 63 Cb 0.00 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.20 1iku n LYS 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iku n ALA 64 N 0.87 0.00 -0.00 0.58 0.00 -1.13 -4.74 120.51 116.08 1iku n ALA 64 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.51 1iku n ALA 64 Cb 0.67 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 0.03 0.00 0.00 9.36 -1.26 -4.21 117.16 121.09 1iku n TYR 65 Ca 0.00 0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1iku n TYR 65 Cb 0.00 -0.21 0.01 0.00 -0.63 0.00 0.00 39.34 38.51 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 -2.37 0.36 -0.29 2.98 0.00 -1.26 -2.22 120.51 117.71 1iku n ALA 66 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1iku n ALA 66 Cb 0.01 -0.36 0.20 0.00 0.00 0.00 0.00 19.45 19.30 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 0.06 0.04 0.00 5.75 -1.85 -1.32 115.11 117.79 1iku h GLN 67 Ca 0.00 -0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 1iku h GLN 67 Cb 0.65 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.19 1iku h GLN 67 CO 0.00 0.04 -0.43 1.25 -2.65 0.00 0.00 178.83 177.04 1iku h HIS 68 N 0.07 0.16 -0.67 3.99 2.76 -1.75 -3.32 115.15 116.38 1iku h HIS 68 Ca 0.48 -0.11 0.09 0.00 -2.20 0.00 0.00 60.37 58.62 1iku h HIS 68 Cb 0.88 -0.01 -0.11 0.00 1.55 0.00 0.00 27.41 29.72 1iku h HIS 68 CO -0.48 1.17 -0.47 0.28 -1.30 0.00 0.00 177.93 177.13 1iku h VAL 69 N -0.81 0.05 -0.04 5.26 2.07 -1.57 0.16 116.25 121.37 1iku h VAL 69 Ca -0.09 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1iku h VAL 69 Cb 1.24 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1iku h VAL 69 CO 0.02 0.00 -0.39 0.15 0.02 0.00 0.00 177.57 177.37 1iku h PHE 70 N -0.19 -1.14 -0.68 1.57 3.57 -1.43 -1.10 116.94 117.54 1iku h PHE 70 Ca 0.18 0.04 0.13 0.00 3.53 0.00 0.00 57.97 61.85 1iku h PHE 70 Cb 0.55 0.50 -0.09 0.00 2.79 0.00 0.00 35.95 39.70 1iku h PHE 70 CO -0.78 -0.40 0.20 -0.09 -2.23 0.00 0.00 178.31 175.01 1iku h ARG 71 N -0.45 0.32 -0.75 1.11 9.65 -1.49 -0.81 114.38 121.96 1iku h ARG 71 Ca 0.01 -0.02 0.11 0.00 -1.10 0.00 0.00 59.98 58.99 1iku h ARG 71 Cb 0.50 -0.07 -0.08 0.00 -1.39 0.00 0.00 29.97 28.93 1iku h ARG 71 CO -0.28 0.21 0.37 1.03 2.80 0.00 0.00 179.97 184.10 1iku h SER 72 N 0.33 0.46 0.00 -3.80 0.87 0.04 0.27 113.55 111.72 1iku h SER 72 Ca 0.37 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 1iku h SER 72 Cb 0.57 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1iku h SER 72 CO -0.42 0.24 0.09 -0.26 -0.53 0.00 0.00 176.83 175.95 1iku h PHE 73 N 0.59 0.00 0.00 2.24 -1.00 0.10 -3.44 116.94 115.43 1iku h PHE 73 Ca 0.39 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.17 1iku h PHE 73 Cb 0.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.02 1iku h PHE 73 CO -0.11 0.00 0.00 -0.25 -1.61 0.00 0.00 178.31 176.34 1iku n ASP 74 N -2.33 0.00 -2.64 2.17 8.00 0.96 -4.66 116.55 118.04 1iku n ASP 74 Ca -0.02 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.48 1iku n ASP 74 Cb 0.13 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.24 1iku n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iku n ALA 75 N 6.50 -1.97 -1.26 2.24 0.00 -1.26 -4.85 120.51 119.90 1iku n ALA 75 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1iku n ALA 75 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1iku n ALA 75 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1iku n ASN 76 N -0.98 0.00 0.00 0.00 2.85 -1.23 -5.01 115.26 110.89 1iku n ASN 76 Ca -0.00 -1.00 0.00 0.00 -0.11 0.00 0.00 54.58 53.47 1iku n ASN 76 Cb 0.39 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.41 1iku n ASN 76 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1iku n SER 77 N 0.00 0.00 -2.69 1.20 2.88 -1.26 -5.08 113.62 108.67 1iku n SER 77 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1iku n SER 77 Cb 0.31 0.01 0.09 0.00 -0.75 0.00 0.00 64.21 63.87 1iku n SER 77 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1iku n ASP 78 N -1.33 -1.67 0.00 -3.46 2.03 -1.26 -4.96 116.55 105.90 1iku n ASP 78 Ca 0.00 -2.41 0.00 0.00 0.52 0.00 0.00 54.79 52.90 1iku n ASP 78 Cb 0.00 1.30 0.00 0.00 -0.72 0.00 0.00 41.12 41.70 1iku n ASP 78 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1iku n GLY 79 N 0.82 1.81 3.96 0.27 0.00 -1.26 -5.08 105.19 105.71 1iku n GLY 79 Ca 0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.38 2.50 0.08 2.61 -4.23 -1.26 -4.11 115.64 109.85 1iku s THR 80 Ca 0.00 -0.52 -0.14 0.00 -1.18 0.00 0.00 61.69 59.85 1iku s THR 80 Cb 0.00 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.89 1iku s THR 80 CO 0.00 0.00 0.33 -1.48 -0.54 0.00 0.00 174.62 172.93 1iku s LEU 81 N -4.96 0.75 0.36 4.79 0.05 0.38 -3.54 118.68 116.52 1iku s LEU 81 Ca 0.59 -0.29 -0.26 0.00 0.05 0.00 0.00 54.13 54.22 1iku s LEU 81 Cb -0.10 1.52 -0.09 0.00 -2.05 0.00 0.00 46.19 45.47 1iku s LEU 81 CO 0.41 -0.73 1.06 -0.62 -0.55 0.00 0.00 176.35 175.93 1iku s ASP 82 N -2.46 6.90 -0.20 1.48 2.15 -1.26 -1.44 116.67 121.84 1iku s ASP 82 Ca -0.00 2.11 -0.19 0.00 0.43 0.00 0.00 52.55 54.90 1iku s ASP 82 Cb 0.01 -2.60 -0.16 0.00 -0.30 0.00 0.00 42.92 39.88 1iku s ASP 82 CO -0.08 -0.40 0.09 0.33 -0.17 0.00 0.00 175.17 174.95 1iku n PHE 83 N 0.30 0.91 -0.06 -5.34 7.35 -1.22 -3.64 117.46 115.76 1iku n PHE 83 Ca 0.03 0.39 -0.13 0.00 -0.76 0.00 0.00 57.45 56.98 1iku n PHE 83 Cb 0.48 -1.03 -0.08 0.00 0.35 0.00 0.00 39.48 39.20 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 -1.00 -0.46 -0.73 -4.13 1.57 -1.94 0.13 116.57 110.01 1iku h LYS 84 Ca -0.31 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1iku h LYS 84 Cb 1.19 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 33.51 1iku h LYS 84 CO -0.19 -0.30 0.30 0.93 -0.57 0.00 0.00 179.45 179.62 1iku h GLU 85 N -0.47 0.45 -0.63 3.15 3.07 -1.93 -0.25 114.58 117.96 1iku h GLU 85 Ca 0.07 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.92 1iku h GLU 85 Cb 0.63 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.41 1iku h GLU 85 CO -0.50 0.30 0.40 -0.92 -1.40 0.00 0.00 179.01 176.90 1iku h TYR 86 N 0.47 0.76 -0.07 4.33 5.03 -1.14 0.30 116.97 126.64 1iku h TYR 86 Ca 0.39 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.72 1iku h TYR 86 Cb 0.56 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.58 1iku h TYR 86 CO -0.16 0.46 0.05 0.28 -1.32 0.00 0.00 178.16 177.47 1iku h VAL 87 N 0.81 1.02 0.34 1.81 2.07 0.84 0.28 116.25 123.41 1iku h VAL 87 Ca 0.24 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 1iku h VAL 87 Cb -0.03 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1iku h VAL 87 CO -0.08 0.02 -0.22 0.40 0.02 0.00 0.00 177.57 177.71 1iku h ILE 88 N 0.09 0.55 -0.79 4.57 2.04 -0.82 0.49 117.51 123.64 1iku h ILE 88 Ca 0.03 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.06 1iku h ILE 88 Cb -0.01 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 1iku h ILE 88 CO -0.01 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.68 1iku h ALA 89 N 0.10 2.25 0.14 1.87 0.00 -0.78 -1.18 119.26 121.66 1iku h ALA 89 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1iku h ALA 89 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1iku h ALA 89 CO 0.03 -0.48 -0.07 1.25 0.00 0.00 0.00 179.25 179.98 1iku h LEU 90 N 0.33 -0.16 -0.72 0.00 7.12 0.12 -3.34 115.31 118.66 1iku h LEU 90 Ca 0.40 0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.48 1iku h LEU 90 Cb 1.05 0.04 -0.09 0.00 -0.53 0.00 0.00 40.66 41.13 1iku h LEU 90 CO -0.11 -0.06 -0.49 0.45 -0.13 0.00 0.00 178.44 178.09 1iku h HIS 91 N -0.29 -1.57 -1.50 1.25 3.86 -0.59 -3.39 115.15 112.93 1iku h HIS 91 Ca -0.02 0.10 -0.10 0.00 -1.16 0.00 0.00 60.37 59.19 1iku h HIS 91 Cb 0.14 0.78 0.06 0.00 1.06 0.00 0.00 27.41 29.45 1iku h HIS 91 CO 0.10 -0.34 -0.05 -1.33 0.86 0.00 0.00 177.93 177.17 1iku n MET 92 N -4.91 -2.61 -2.11 2.45 2.81 -0.48 -3.18 117.12 109.10 1iku n MET 92 Ca 0.01 -0.41 0.00 0.00 -1.81 0.00 0.00 57.70 55.49 1iku n MET 92 Cb 0.24 -0.55 0.00 0.00 -0.71 0.00 0.00 33.22 32.20 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 -3.76 0.00 -0.11 2.03 5.66 -1.26 -4.69 114.28 112.15 1iku n THR 93 Ca 0.04 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.82 1iku n THR 93 Cb 0.17 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.84 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 -1.14 1.87 0.00 1.09 3.41 -1.19 -5.05 113.62 112.61 1iku n SER 94 Ca 0.00 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1iku n SER 94 Cb 0.40 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1iku n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iku n ALA 95 N -3.49 0.00 -1.31 7.33 0.00 -1.26 -5.07 120.51 116.71 1iku n ALA 95 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1iku n ALA 95 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.75 3.72 0.00 0.00 -1.26 -5.11 105.19 100.79 1iku n GLY 96 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 1.66 0.00 1.61 1.02 -1.26 -5.02 119.74 117.74 1iku s LYS 97 Ca 0.00 1.44 0.00 0.00 0.02 0.00 0.00 55.97 57.43 1iku s LYS 97 Cb 0.00 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 1iku s LYS 97 CO 0.00 -2.14 0.00 2.41 -0.92 0.00 0.00 175.35 174.70 1iku n THR 98 N -3.73 0.00 -0.41 2.17 -1.04 -1.26 -4.58 114.28 105.43 1iku n THR 98 Ca 0.11 0.00 0.35 0.00 -2.04 0.00 0.00 64.05 62.47 1iku n THR 98 Cb 0.52 -0.23 0.67 0.00 -1.82 0.00 0.00 70.33 69.47 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 0.19 0.12 8.00 7.08 -1.96 0.44 115.58 129.45 1iku h ASN 99 Ca 0.00 0.06 -0.02 0.00 -3.08 0.00 0.00 56.30 53.26 1iku h ASN 99 Cb 0.00 0.04 -0.00 0.00 -2.08 0.00 0.00 38.32 36.28 1iku h ASN 99 CO 0.00 -0.03 -0.11 1.56 -2.08 0.00 0.00 177.43 176.77 1iku h GLN 100 N 0.13 0.00 0.12 4.14 4.20 -2.00 -2.12 115.11 119.57 1iku h GLN 100 Ca 0.70 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 59.09 1iku h GLN 100 Cb 2.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 30.14 1iku h GLN 100 CO -0.20 0.11 -1.67 -0.22 -0.67 0.00 0.00 178.83 176.18 1iku h LYS 101 N 0.00 0.25 0.60 1.46 1.63 -0.38 -3.35 116.57 116.78 1iku h LYS 101 Ca -0.00 -0.42 -0.03 0.00 -0.85 0.00 0.00 60.65 59.35 1iku h LYS 101 Cb 0.20 0.16 0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1iku h LYS 101 CO 0.01 1.20 -0.29 -0.07 -3.45 0.00 0.00 179.45 176.86 1iku h LEU 102 N -0.18 -0.69 -1.17 5.20 3.38 -1.38 -2.11 115.31 118.35 1iku h LEU 102 Ca -0.36 0.02 0.45 0.00 0.09 0.00 0.00 57.88 58.08 1iku h LEU 102 Cb 1.86 0.18 -0.16 0.00 0.09 0.00 0.00 40.66 42.63 1iku h LEU 102 CO 0.06 -0.45 0.70 -0.62 0.09 0.00 0.00 178.44 178.21 1iku n GLU 103 N -4.41 -0.05 -0.04 1.13 1.02 -0.81 0.11 120.64 117.59 1iku n GLU 103 Ca -0.10 1.32 -0.13 0.00 -0.02 0.00 0.00 57.16 58.23 1iku n GLU 103 Cb 0.32 -2.47 -0.08 0.00 -0.02 0.00 0.00 31.44 29.18 1iku n GLU 103 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1iku h TRP 104 N 0.00 0.25 -0.67 -0.32 7.01 -1.66 0.77 115.95 121.34 1iku h TRP 104 Ca 0.86 -0.08 0.01 0.00 2.11 0.00 0.00 58.89 61.80 1iku h TRP 104 Cb 2.52 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 29.49 1iku h TRP 104 CO -0.01 0.64 0.44 0.00 -2.79 0.00 0.00 178.44 176.71 1iku h ALA 105 N 0.58 0.85 -0.24 2.65 0.00 0.14 0.42 119.26 123.67 1iku h ALA 105 Ca 0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1iku h ALA 105 Cb 0.59 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1iku h ALA 105 CO 0.02 0.25 -0.07 0.35 0.00 0.00 0.00 179.25 179.80 1iku h PHE 106 N 0.88 0.54 -0.02 0.00 3.04 -0.75 -2.65 116.94 117.99 1iku h PHE 106 Ca 0.25 -0.12 -0.05 0.00 3.98 0.00 0.00 57.97 62.03 1iku h PHE 106 Cb -0.07 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 1iku h PHE 106 CO -0.03 0.71 -0.23 0.66 -2.02 0.00 0.00 178.31 177.40 1iku h SER 107 N 0.21 0.03 -0.65 0.41 4.64 -0.49 -0.06 113.55 117.64 1iku h SER 107 Ca 0.06 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 1iku h SER 107 Cb 0.55 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 1iku h SER 107 CO 0.03 0.27 0.18 0.25 -0.87 0.00 0.00 176.83 176.68 1iku h LEU 108 N 0.03 0.99 0.00 5.97 5.85 0.10 -2.24 115.31 126.01 1iku h LEU 108 Ca 0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1iku h LEU 108 Cb 0.43 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1iku h LEU 108 CO 0.03 0.94 -0.43 -1.22 -0.34 0.00 0.00 178.44 177.42 1iku n TYR 109 N -4.25 0.11 -1.32 1.25 4.01 -0.88 -3.52 117.16 112.56 1iku n TYR 109 Ca 0.05 0.03 -0.39 0.00 -0.16 0.00 0.00 57.90 57.44 1iku n TYR 109 Cb 0.24 -0.37 -0.03 0.00 -0.31 0.00 0.00 39.34 38.87 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 -1.61 4.39 0.23 7.72 2.03 -0.09 -4.64 116.55 124.57 1iku n ASP 110 Ca 0.05 -2.66 -0.09 0.00 0.52 0.00 0.00 54.79 52.61 1iku n ASP 110 Cb 0.35 -1.38 -0.05 0.00 -0.72 0.00 0.00 41.12 39.33 1iku n ASP 110 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1iku h VAL 111 N 3.90 0.00 0.00 5.18 -1.51 -1.79 -3.40 116.25 118.64 1iku h VAL 111 Ca 0.56 -0.33 -0.05 0.00 -1.23 0.00 0.00 66.70 65.65 1iku h VAL 111 Cb 0.51 0.00 -0.05 0.00 -2.13 0.00 0.00 31.29 29.63 1iku h VAL 111 CO 1.83 0.00 -0.11 -0.90 -1.23 0.00 0.00 177.57 177.16 1iku n ASP 112 N -4.58 -0.38 -3.18 4.19 5.75 -1.26 -4.76 116.55 112.33 1iku n ASP 112 Ca -0.08 -0.89 -0.36 0.00 -0.01 0.00 0.00 54.79 53.46 1iku n ASP 112 Cb 0.24 0.11 -0.03 0.00 -1.03 0.00 0.00 41.12 40.41 1iku n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iku n GLY 113 N 0.00 4.66 3.39 6.12 0.00 -1.26 -4.66 105.19 113.44 1iku n GLY 113 Ca -0.11 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 2.18 -0.01 -0.07 1.61 5.03 -1.26 -1.11 115.26 121.62 1iku n ASN 114 Ca 0.64 0.00 0.00 0.00 0.87 0.00 0.00 54.58 56.09 1iku n ASN 114 Cb 0.34 -1.74 0.00 0.00 -1.02 0.00 0.00 39.78 37.36 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 -1.08 0.88 3.27 7.41 0.00 -1.26 -5.11 105.19 109.30 1iku n GLY 115 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.92 0.45 0.12 2.61 -4.23 -0.27 -4.12 115.64 108.28 1iku s THR 116 Ca 0.00 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1iku s THR 116 Cb 0.00 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 1iku s THR 116 CO 0.00 -0.12 -0.04 -0.51 -0.54 0.00 0.00 174.62 173.40 1iku s ILE 117 N -3.83 0.65 0.36 2.99 2.07 -0.98 -4.74 121.20 117.72 1iku s ILE 117 Ca 0.34 -1.94 0.06 0.00 -1.41 0.00 0.00 60.65 57.70 1iku s ILE 117 Cb 0.07 -1.81 -0.07 0.00 0.13 0.00 0.00 42.46 40.78 1iku s ILE 117 CO 0.11 -0.76 0.01 -0.94 -1.91 0.00 0.00 174.94 171.45 1iku s SER 118 N -3.07 3.24 0.23 4.50 1.04 -1.26 -2.45 113.70 115.92 1iku s SER 118 Ca 0.15 -1.33 -0.08 0.00 0.48 0.00 0.00 55.95 55.17 1iku s SER 118 Cb 0.06 -0.26 0.23 0.00 0.10 0.00 0.00 66.02 66.14 1iku s SER 118 CO -0.02 -0.46 1.90 0.07 0.98 0.00 0.00 173.24 175.70 1iku h LYS 119 N 1.97 1.13 -1.02 4.02 2.10 -1.99 -1.63 116.57 121.15 1iku h LYS 119 Ca -0.42 -0.07 0.31 0.00 -2.00 0.00 0.00 60.65 58.47 1iku h LYS 119 Cb 1.24 -0.26 -0.14 0.00 -0.90 0.00 0.00 32.23 32.18 1iku h LYS 119 CO 0.75 0.75 0.60 -0.91 -2.00 0.00 0.00 179.45 178.63 1iku h ASN 120 N 1.17 0.54 -0.23 7.07 -0.26 -1.99 0.67 115.58 122.54 1iku h ASN 120 Ca 0.33 0.17 -0.12 0.00 -0.56 0.00 0.00 56.30 56.12 1iku h ASN 120 Cb -0.10 0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1iku h ASN 120 CO -0.08 -0.07 -0.32 -0.33 -1.06 0.00 0.00 177.43 175.57 1iku h GLU 121 N 0.38 0.63 -0.86 0.81 3.07 -1.71 -2.56 114.58 114.34 1iku h GLU 121 Ca 0.71 -0.37 0.06 0.00 -0.50 0.00 0.00 59.36 59.27 1iku h GLU 121 Cb 1.61 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 29.49 1iku h GLU 121 CO -0.55 0.98 0.56 0.28 -1.40 0.00 0.00 179.01 178.88 1iku h VAL 122 N 0.34 1.06 0.14 3.13 2.07 0.41 -2.11 116.25 121.28 1iku h VAL 122 Ca 0.03 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1iku h VAL 122 Cb 0.90 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1iku h VAL 122 CO 0.08 0.18 -0.07 0.25 0.02 0.00 0.00 177.57 178.03 1iku h LEU 123 N 0.97 -0.15 -0.80 2.57 5.85 -0.49 -1.87 115.31 121.37 1iku h LEU 123 Ca 0.37 -0.08 0.19 0.00 0.84 0.00 0.00 57.88 59.21 1iku h LEU 123 Cb 0.20 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 41.14 1iku h LEU 123 CO -0.13 -0.02 0.10 -0.33 -0.34 0.00 0.00 178.44 177.72 1iku h GLU 124 N -0.28 0.15 0.98 1.25 4.39 -0.98 0.23 114.58 120.34 1iku h GLU 124 Ca -0.02 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1iku h GLU 124 Cb 0.22 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1iku h GLU 124 CO 0.03 0.10 -0.47 0.82 -1.16 0.00 0.00 179.01 178.33 1iku h ILE 125 N 0.16 0.00 -0.82 3.13 2.04 -1.20 -1.53 117.51 119.29 1iku h ILE 125 Ca 0.46 -0.01 0.24 0.00 1.00 0.00 0.00 64.86 66.55 1iku h ILE 125 Cb 0.86 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1iku h ILE 125 CO -0.65 0.00 0.70 0.58 0.00 0.00 0.00 178.15 178.78 1iku h VAL 126 N -1.33 0.38 0.00 1.67 2.07 -0.35 1.01 116.25 119.70 1iku h VAL 126 Ca -0.13 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.20 1iku h VAL 126 Cb 1.01 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1iku h VAL 126 CO 0.22 0.00 -0.85 0.74 0.02 0.00 0.00 177.57 177.70 1iku h THR 127 N 0.00 1.59 -0.16 2.57 2.02 0.07 -2.43 112.91 116.56 1iku h THR 127 Ca 0.39 -2.85 -0.10 0.00 0.77 0.00 0.00 66.41 64.62 1iku h THR 127 Cb 1.79 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 70.73 1iku h THR 127 CO -0.00 0.82 -0.34 0.00 0.37 0.00 0.00 175.52 176.36 1iku h ALA 128 N 1.12 1.12 0.06 6.16 0.00 0.20 -2.75 119.26 125.18 1iku h ALA 128 Ca -0.02 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1iku h ALA 128 Cb 1.50 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.20 1iku h ALA 128 CO 0.11 0.56 -0.55 0.82 0.00 0.00 0.00 179.25 180.19 1iku h ILE 129 N 0.28 1.53 -0.77 0.00 1.08 -1.38 -2.56 117.51 115.70 1iku h ILE 129 Ca 0.03 -2.28 0.14 0.00 -0.39 0.00 0.00 64.86 62.37 1iku h ILE 129 Cb 0.74 2.98 -0.10 0.00 -3.07 0.00 0.00 36.82 37.38 1iku h ILE 129 CO 0.06 0.64 0.31 0.15 -0.69 0.00 0.00 178.15 178.62 1iku h PHE 130 N -0.40 0.53 -0.51 1.37 3.57 -1.40 0.65 116.94 120.76 1iku h PHE 130 Ca -0.09 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.33 1iku h PHE 130 Cb 1.36 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1iku h PHE 130 CO 0.19 0.07 -0.15 -0.22 -2.23 0.00 0.00 178.31 175.96 1iku h LYS 131 N 0.45 1.00 -0.02 1.11 1.63 -1.55 -2.14 116.57 117.05 1iku h LYS 131 Ca 0.42 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1iku h LYS 131 Cb 0.64 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1iku h LYS 131 CO -0.41 1.07 0.06 1.98 -3.45 0.00 0.00 179.45 178.71 1iku h MET 132 N 0.86 0.00 -6.03 1.90 1.85 -0.48 -3.41 114.93 109.62 1iku h MET 132 Ca 0.12 0.00 -0.57 0.00 -0.61 0.00 0.00 59.70 58.64 1iku h MET 132 Cb 0.73 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.70 1iku h MET 132 CO 0.06 0.00 -0.03 0.42 -0.40 0.00 0.00 176.91 176.95 1iku s ILE 133 N -4.26 4.96 0.66 1.77 1.01 -0.45 -4.96 121.20 119.93 1iku s ILE 133 Ca -0.05 1.20 -0.14 0.00 0.00 0.00 0.00 60.65 61.67 1iku s ILE 133 Cb 0.13 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 1iku s ILE 133 CO 0.42 0.40 1.08 -0.55 0.00 0.00 0.00 174.94 176.29 1iku s SER 134 N -0.05 5.32 0.54 3.58 0.15 -1.26 -4.85 113.70 117.14 1iku s SER 134 Ca 0.30 1.84 0.32 0.00 0.70 0.00 0.00 55.95 59.12 1iku s SER 134 Cb -0.18 -2.53 1.76 0.00 -1.71 0.00 0.00 66.02 63.36 1iku s SER 134 CO 0.16 -1.48 1.98 -0.65 1.20 0.00 0.00 173.24 174.45 1iku h PRO 135 N -0.10 0.00 0.00 5.44 0.10 -1.93 -1.14 132.00 134.37 1iku h PRO 135 Ca -0.46 0.00 -0.22 0.00 0.10 0.00 0.00 66.00 65.42 1iku h PRO 135 Cb 1.23 0.00 -0.03 0.00 0.10 0.00 0.00 31.00 32.30 1iku h PRO 135 CO 0.55 0.00 -1.25 -1.91 0.10 0.00 0.00 178.00 175.49 1iku n GLU 136 N -2.72 0.56 0.24 1.05 2.13 -1.26 -3.93 120.64 116.71 1iku n GLU 136 Ca -0.02 0.57 0.17 0.00 0.66 0.00 0.00 57.16 58.53 1iku n GLU 136 Cb 0.16 -1.74 0.87 0.00 0.27 0.00 0.00 31.44 31.00 1iku n GLU 136 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1iku h ASP 137 N -1.00 0.00 0.63 4.31 5.19 -1.80 0.14 116.42 123.89 1iku h ASP 137 Ca -0.34 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.07 1iku h ASP 137 Cb 1.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.77 1iku h ASP 137 CO -0.20 0.00 -0.00 0.71 -3.12 0.00 0.00 179.24 176.63 1iku h THR 138 N 0.00 0.00 -0.04 0.35 1.35 -1.34 -2.10 112.91 111.14 1iku h THR 138 Ca 0.00 -0.31 0.01 0.00 -0.55 0.00 0.00 66.41 65.56 1iku h THR 138 Cb 0.03 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1iku h THR 138 CO 0.00 0.00 0.13 0.07 -0.25 0.00 0.00 175.52 175.47 1iku h LYS 139 N 0.00 0.00 0.00 4.72 5.09 -0.90 0.16 116.57 125.64 1iku h LYS 139 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.69 1iku h LYS 139 Cb 0.31 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.64 1iku h LYS 139 CO 0.00 0.00 -0.24 0.45 -2.09 0.00 0.00 179.45 177.57 1iku h HIS 140 N 0.00 0.00 -3.95 0.07 3.86 -1.58 -3.45 115.15 110.10 1iku h HIS 140 Ca 0.02 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.73 1iku h HIS 140 Cb 0.28 0.00 0.04 0.00 1.06 0.00 0.00 27.41 28.79 1iku h HIS 140 CO 0.00 0.24 0.47 -0.51 0.86 0.00 0.00 177.93 178.99 1iku s LEU 141 N -6.48 4.15 0.00 2.43 1.43 0.56 -5.03 118.68 115.74 1iku s LEU 141 Ca 0.03 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 1iku s LEU 141 Cb 0.08 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 42.20 1iku s LEU 141 CO 0.67 -0.66 0.00 -0.81 0.23 0.00 0.00 176.35 175.78 1iku n PRO 142 N -0.04 0.17 -0.08 1.29 -0.04 -1.26 -4.99 135.00 130.04 1iku n PRO 142 Ca 0.05 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.42 1iku n PRO 142 Cb 0.48 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.80 1iku n PRO 142 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1iku n GLU 143 N -0.57 1.23 0.05 0.54 0.28 -1.26 -4.54 120.64 116.37 1iku n GLU 143 Ca 0.00 -0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1iku n GLU 143 Cb 0.00 -1.43 -0.08 0.00 1.43 0.00 0.00 31.44 31.36 1iku n GLU 143 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1iku h ASP 144 N 0.00 -0.06 0.00 -1.84 3.32 -2.01 -3.12 116.42 112.71 1iku h ASP 144 Ca -0.46 -0.11 -0.65 0.00 0.02 0.00 0.00 57.03 55.83 1iku h ASP 144 Cb 2.02 0.01 0.03 0.00 0.22 0.00 0.00 39.33 41.61 1iku h ASP 144 CO 0.02 0.07 3.77 -0.62 -1.72 0.00 0.00 179.24 180.77 1iku n GLU 145 N -5.06 3.59 0.20 3.56 1.02 -1.26 -4.46 120.64 118.22 1iku n GLU 145 Ca -0.08 -2.16 0.11 0.00 -0.02 0.00 0.00 57.16 55.01 1iku n GLU 145 Cb 0.11 -2.79 0.15 0.00 -0.02 0.00 0.00 31.44 28.88 1iku n GLU 145 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1iku h ASN 146 N 5.11 0.00 -4.51 1.62 -0.00 -1.82 -3.46 115.58 112.52 1iku h ASN 146 Ca 0.85 0.00 -0.31 0.00 -0.00 0.00 0.00 56.30 56.83 1iku h ASN 146 Cb 0.28 0.00 -0.23 0.00 -0.00 0.00 0.00 38.32 38.37 1iku h ASN 146 CO 1.77 0.04 -0.75 0.42 -0.00 0.00 0.00 177.43 178.91 1iku s THR 147 N -3.20 0.62 0.66 -3.57 -4.23 -1.26 -5.00 115.64 99.65 1iku s THR 147 Ca 0.06 -0.90 0.38 0.00 -1.18 0.00 0.00 61.69 60.04 1iku s THR 147 Cb 0.06 -0.63 0.38 0.00 1.34 0.00 0.00 72.50 73.65 1iku s THR 147 CO 0.69 -0.22 2.18 1.55 -0.54 0.00 0.00 174.62 178.27 1iku h PRO 148 N 4.86 0.00 0.16 3.99 0.13 -1.92 0.24 132.00 139.46 1iku h PRO 148 Ca -0.35 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.57 1iku h PRO 148 Cb 1.20 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.35 1iku h PRO 148 CO 0.43 0.00 -0.94 0.93 -0.23 0.00 0.00 178.00 178.19 1iku h GLU 149 N 0.00 0.35 0.00 0.86 5.08 -1.95 -1.62 114.58 117.29 1iku h GLU 149 Ca 0.01 -0.59 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 1iku h GLU 149 Cb 0.30 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1iku h GLU 149 CO -0.00 1.28 -0.05 0.87 -1.00 0.00 0.00 179.01 180.11 1iku h LYS 150 N -0.28 0.00 0.00 2.33 6.56 -1.54 -2.21 116.57 121.44 1iku h LYS 150 Ca -0.16 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.43 1iku h LYS 150 Cb 1.74 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.40 1iku h LYS 150 CO 0.18 0.05 -0.00 -0.09 -2.06 0.00 0.00 179.45 177.53 1iku h ARG 151 N 0.00 -0.00 0.00 3.15 2.43 -0.62 -2.78 114.38 116.55 1iku h ARG 151 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1iku h ARG 151 Cb 0.86 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1iku h ARG 151 CO 0.01 0.87 -0.19 0.00 -1.51 0.00 0.00 179.97 179.14 1iku h ALA 152 N 0.11 1.36 -0.32 2.80 0.00 -1.31 -2.24 119.26 119.66 1iku h ALA 152 Ca -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1iku h ALA 152 Cb 0.87 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1iku h ALA 152 CO 0.00 0.24 -0.02 0.93 0.00 0.00 0.00 179.25 180.40 1iku h GLU 153 N 0.00 0.58 -0.10 0.00 5.08 -1.42 0.17 114.58 118.89 1iku h GLU 153 Ca -0.00 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1iku h GLU 153 Cb 0.43 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1iku h GLU 153 CO 0.03 0.73 -0.25 -0.22 -1.00 0.00 0.00 179.01 178.30 1iku h LYS 154 N 0.38 -0.32 0.64 2.33 3.64 -1.11 2.06 116.57 124.19 1iku h LYS 154 Ca 0.09 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1iku h LYS 154 Cb 0.49 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1iku h LYS 154 CO 0.02 -0.21 -0.49 0.82 -2.27 0.00 0.00 179.45 177.32 1iku h ILE 155 N -0.33 0.00 0.00 2.00 2.04 -1.35 0.12 117.51 119.98 1iku h ILE 155 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1iku h ILE 155 Cb 0.47 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1iku h ILE 155 CO -0.29 0.00 0.17 -0.25 0.00 0.00 0.00 178.15 177.78 1iku h TRP 156 N -1.09 0.00 0.88 1.37 2.91 -0.15 0.75 115.95 120.63 1iku h TRP 156 Ca -0.08 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.89 1iku h TRP 156 Cb 0.90 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.56 1iku h TRP 156 CO -0.17 0.00 -0.42 0.78 -1.03 0.00 0.00 178.44 177.60 1iku h GLY 157 N 0.00 -1.24 0.35 2.65 0.00 0.61 -0.61 103.07 104.83 1iku h GLY 157 Ca 0.00 0.46 -0.32 0.00 0.00 0.00 0.00 47.33 47.47 1iku h GLY 157 CO 0.00 -0.45 -1.77 0.69 0.00 0.00 0.00 176.54 175.01 1iku n PHE 158 N -5.36 1.10 0.05 5.60 3.72 -0.79 -1.90 117.46 119.87 1iku n PHE 158 Ca -0.15 0.31 -0.11 0.00 -0.05 0.00 0.00 57.45 57.46 1iku n PHE 158 Cb 0.47 -1.13 -0.04 0.00 -0.94 0.00 0.00 39.48 37.83 1iku n PHE 158 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1iku h PHE 159 N -0.35 -0.43 -0.03 1.38 3.57 0.34 -3.00 116.94 118.44 1iku h PHE 159 Ca -0.41 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1iku h PHE 159 Cb 1.75 0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.69 1iku h PHE 159 CO 0.08 -0.24 -0.15 0.41 -2.23 0.00 0.00 178.31 176.18 1iku n GLY 160 N -1.30 0.67 7.00 2.40 0.00 -0.61 -4.97 105.19 108.39 1iku n GLY 160 Ca -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.91 0.00 -1.07 1.61 3.00 -0.34 -4.40 118.16 117.87 1iku n LYS 161 Ca 0.12 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.08 1iku n LYS 161 Cb 0.55 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.65 1iku n LYS 161 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1iku n LYS 162 N 2.10 0.04 -1.66 1.64 4.81 -1.26 -4.46 118.16 119.39 1iku n LYS 162 Ca 0.00 0.05 -0.42 0.00 -0.87 0.00 0.00 58.31 57.07 1iku n LYS 162 Cb 0.00 -1.62 -0.01 0.00 0.02 0.00 0.00 35.03 33.43 1iku n LYS 162 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1iku n ASP 163 N 0.32 4.10 0.00 3.14 9.92 -1.26 -3.16 116.55 129.62 1iku n ASP 163 Ca 0.07 -2.81 0.00 0.00 -0.53 0.00 0.00 54.79 51.52 1iku n ASP 163 Cb 0.52 -1.61 0.00 0.00 -0.64 0.00 0.00 41.12 39.39 1iku n ASP 163 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1iku n ASP 164 N 6.02 0.00 -4.49 -2.24 2.03 -1.26 -5.13 116.55 111.48 1iku n ASP 164 Ca 0.54 -0.23 -0.34 0.00 0.52 0.00 0.00 54.79 55.28 1iku n ASP 164 Cb 0.38 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.00 4.81 0.58 1.67 2.15 -1.19 -5.11 116.67 119.58 1iku s ASP 165 Ca 0.00 -0.14 -0.03 0.00 0.43 0.00 0.00 52.55 52.81 1iku s ASP 165 Cb 0.00 -1.79 0.02 0.00 -0.30 0.00 0.00 42.92 40.85 1iku s ASP 165 CO 0.00 0.16 0.85 -0.54 -0.17 0.00 0.00 175.17 175.46 1iku s LYS 166 N 0.45 2.72 0.20 4.34 3.01 -1.26 -4.85 119.74 124.34 1iku s LYS 166 Ca -0.03 -0.32 0.06 0.00 -1.01 0.00 0.00 55.97 54.67 1iku s LYS 166 Cb -0.14 -2.36 -0.04 0.00 -1.01 0.00 0.00 37.83 34.28 1iku s LYS 166 CO 0.03 -0.72 0.14 -0.51 0.51 0.00 0.00 175.35 174.79 1iku s LEU 167 N -4.90 3.74 0.43 3.17 1.43 -1.03 -4.94 118.68 116.58 1iku s LEU 167 Ca 0.55 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 53.50 1iku s LEU 167 Cb -0.10 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 1iku s LEU 167 CO 0.42 0.03 0.28 0.42 0.23 0.00 0.00 176.35 177.73 1iku s THR 168 N -1.90 2.32 0.00 5.49 -4.23 -1.26 -2.31 115.64 113.75 1iku s THR 168 Ca 0.31 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1iku s THR 168 Cb -0.09 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1iku s THR 168 CO 0.23 0.00 0.83 -0.62 -0.54 0.00 0.00 174.62 174.52 1iku n GLU 169 N -1.42 0.00 0.00 3.99 1.02 -1.26 -0.98 120.64 121.99 1iku n GLU 169 Ca 0.00 0.61 0.06 0.00 -0.02 0.00 0.00 57.16 57.81 1iku n GLU 169 Cb 0.64 -1.33 0.45 0.00 -0.02 0.00 0.00 31.44 31.18 1iku n GLU 169 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1iku h LYS 170 N 0.00 0.47 -0.11 3.49 -0.00 -1.97 -2.45 116.57 116.00 1iku h LYS 170 Ca 0.00 -0.03 0.01 0.00 -0.00 0.00 0.00 60.65 60.63 1iku h LYS 170 Cb 0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 32.23 32.11 1iku h LYS 170 CO 0.00 0.31 0.03 1.49 -0.00 0.00 0.00 179.45 181.28 1iku h GLU 171 N 0.49 0.07 -0.73 0.07 4.81 -1.89 0.20 114.58 117.61 1iku h GLU 171 Ca 0.16 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1iku h GLU 171 Cb 0.05 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1iku h GLU 171 CO -0.04 0.05 0.45 0.35 -0.73 0.00 0.00 179.01 179.09 1iku h PHE 172 N 0.08 0.95 0.46 0.92 3.57 -0.66 0.55 116.94 122.80 1iku h PHE 172 Ca 0.05 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1iku h PHE 172 Cb 0.03 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.46 1iku h PHE 172 CO -0.11 0.63 -0.22 0.82 -2.23 0.00 0.00 178.31 177.20 1iku h ILE 173 N 1.00 0.00 0.00 1.41 1.08 -0.95 -2.81 117.51 117.24 1iku h ILE 173 Ca 0.26 -0.43 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1iku h ILE 173 Cb -0.05 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.69 1iku h ILE 173 CO -0.05 0.00 -0.03 1.05 -0.69 0.00 0.00 178.15 178.43 1iku h GLU 174 N -1.05 0.00 -0.76 2.37 4.11 -0.58 0.69 114.58 119.36 1iku h GLU 174 Ca -0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.32 1iku h GLU 174 Cb 0.47 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1iku h GLU 174 CO 0.10 0.03 0.31 0.78 0.07 0.00 0.00 179.01 180.30 1iku h GLY 175 N 0.16 1.22 0.00 1.06 0.00 0.13 -1.90 103.07 103.74 1iku h GLY 175 Ca -0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.63 1iku h GLY 175 CO 0.00 0.62 -0.35 -0.91 0.00 0.00 0.00 176.54 175.90 1iku h THR 176 N 1.10 0.52 -0.96 4.70 1.35 -1.04 -3.23 112.91 115.35 1iku h THR 176 Ca 0.25 -1.48 0.28 0.00 -0.55 0.00 0.00 66.41 64.92 1iku h THR 176 Cb 0.21 1.07 -0.14 0.00 -1.73 0.00 0.00 68.15 67.56 1iku h THR 176 CO -0.02 0.18 0.47 0.25 -0.25 0.00 0.00 175.52 176.15 1iku h LEU 177 N -1.00 0.39 0.00 3.87 6.46 -0.98 -3.02 115.31 121.02 1iku h LEU 177 Ca -0.06 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1iku h LEU 177 Cb 0.57 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1iku h LEU 177 CO -0.04 -0.11 0.00 0.00 -0.62 0.00 0.00 178.44 177.68 1iku n ALA 178 N -2.42 -0.16 -1.77 1.25 0.00 -0.71 -4.79 120.51 111.90 1iku n ALA 178 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.32 1iku n ALA 178 Cb 0.86 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.30 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 -2.22 6.52 0.19 0.00 3.04 -1.14 -4.92 114.94 116.41 1iku s ASN 179 Ca 0.00 2.75 0.22 0.00 0.04 0.00 0.00 52.86 55.87 1iku s ASN 179 Cb 0.00 -2.65 -0.01 0.00 -1.54 0.00 0.00 41.25 37.05 1iku s ASN 179 CO 0.00 -0.72 1.02 2.29 -3.04 0.00 0.00 177.10 176.65 1iku n LYS 180 N 0.48 0.61 0.06 0.43 2.85 -1.26 -3.78 118.16 117.55 1iku n LYS 180 Ca 0.02 0.13 -0.03 0.00 -1.05 0.00 0.00 58.31 57.38 1iku n LYS 180 Cb 0.42 -1.83 -0.01 0.00 -0.65 0.00 0.00 35.03 32.96 1iku n LYS 180 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1iku h GLU 181 N 0.00 -0.18 -1.41 -1.58 4.39 -1.91 -2.29 114.58 111.60 1iku h GLU 181 Ca -0.02 0.01 0.43 0.00 0.34 0.00 0.00 59.36 60.12 1iku h GLU 181 Cb 1.06 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.65 1iku h GLU 181 CO 0.00 -0.12 0.97 0.82 -1.16 0.00 0.00 179.01 179.52 1iku h ILE 182 N -0.35 0.21 0.79 3.13 2.04 -1.91 0.29 117.51 121.72 1iku h ILE 182 Ca -0.02 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1iku h ILE 182 Cb 0.14 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1iku h ILE 182 CO 0.03 0.02 -0.38 0.25 0.00 0.00 0.00 178.15 178.07 1iku h LEU 183 N 0.09 -0.90 0.00 1.44 5.85 -1.64 0.88 115.31 121.03 1iku h LEU 183 Ca 0.76 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.50 1iku h LEU 183 Cb 2.66 0.23 0.00 0.00 0.37 0.00 0.00 40.66 43.92 1iku h LEU 183 CO -0.21 -0.55 0.02 -1.14 -0.34 0.00 0.00 178.44 176.21 1iku n ARG 184 N -5.49 0.00 0.00 1.25 0.63 0.90 -0.22 116.66 113.73 1iku n ARG 184 Ca -0.14 0.48 0.09 0.00 -0.92 0.00 0.00 57.85 57.36 1iku n ARG 184 Cb 0.43 -1.52 -0.14 0.00 0.45 0.00 0.00 32.46 31.68 1iku n ARG 184 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1iku n LEU 185 N -1.48 0.18 -0.07 6.15 4.77 -0.41 -4.24 117.00 121.90 1iku n LEU 185 Ca 0.00 0.07 -0.07 0.00 -0.03 0.00 0.00 56.01 55.98 1iku n LEU 185 Cb 0.02 0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1iku n LEU 185 CO 0.00 0.02 -0.55 0.00 -1.33 0.00 0.00 177.39 175.53 1iku n ILE 186 N -2.40 1.22 -2.62 -0.08 0.00 0.69 -4.73 119.36 111.42 1iku n ILE 186 Ca -0.06 0.21 -0.43 0.00 0.00 0.00 0.00 62.75 62.47 1iku n ILE 186 Cb 0.64 -2.19 -0.01 0.00 0.00 0.00 0.00 39.64 38.08 1iku n ILE 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iku s GLN 187 N -2.55 3.91 0.52 9.51 -2.07 -0.58 -4.89 119.66 123.52 1iku s GLN 187 Ca -0.23 -1.87 0.00 0.00 -1.82 0.00 0.00 55.36 51.44 1iku s GLN 187 Cb 0.03 -5.44 0.00 0.00 -1.09 0.00 0.00 33.01 26.51 1iku s GLN 187 CO 0.35 -2.19 0.00 0.34 -1.32 0.00 0.00 175.29 172.47 1iku n PHE 188 N 8.18 -2.68 -0.35 9.60 7.35 -1.26 -4.79 117.46 133.51 1iku n PHE 188 Ca 0.44 0.85 0.00 0.00 -0.76 0.00 0.00 57.45 57.97 1iku n PHE 188 Cb 0.47 -1.51 0.00 0.00 0.35 0.00 0.00 39.48 38.78 1iku n PHE 188 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09