#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iku n ASN 3 N 0.00 -1.04 -0.11 1.61 2.85 -1.26 -5.03 115.26 112.28 1iku n ASN 3 Ca 0.00 -1.61 -0.14 0.00 -0.11 0.00 0.00 54.58 52.73 1iku n ASN 3 Cb 0.00 1.71 -0.03 0.00 1.24 0.00 0.00 39.78 42.70 1iku n ASN 3 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1iku h SER 4 N 1.08 0.93 -0.43 1.20 4.64 -1.99 -2.59 113.55 116.40 1iku h SER 4 Ca -0.16 -0.48 0.06 0.00 -0.47 0.00 0.00 61.79 60.74 1iku h SER 4 Cb 0.66 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 62.44 1iku h SER 4 CO 0.21 1.22 0.13 0.11 -0.87 0.00 0.00 176.83 177.64 1iku h LYS 5 N 0.66 0.28 0.00 4.77 1.79 -1.99 0.62 116.57 122.69 1iku h LYS 5 Ca 0.05 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1iku h LYS 5 Cb 0.98 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 1iku h LYS 5 CO 0.09 0.18 -0.18 0.77 -1.08 0.00 0.00 179.45 179.24 1iku h SER 6 N 0.29 0.00 0.68 0.86 0.02 -1.95 -1.97 113.55 111.47 1iku h SER 6 Ca 0.20 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.99 1iku h SER 6 Cb 0.21 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1iku h SER 6 CO -0.23 0.18 -0.77 1.23 -1.14 0.00 0.00 176.83 176.10 1iku h GLY 7 N 1.09 0.07 0.42 -3.77 0.00 -0.55 -3.11 103.07 97.22 1iku h GLY 7 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1iku h GLY 7 CO 0.02 0.11 -0.02 0.00 0.00 0.00 0.00 176.54 176.65 1iku h ALA 8 N 1.18 0.01 -0.98 3.60 0.00 -0.35 -2.98 119.26 119.74 1iku h ALA 8 Ca -0.02 -0.31 0.24 0.00 0.00 0.00 0.00 54.91 54.82 1iku h ALA 8 Cb 1.35 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 1iku h ALA 8 CO 0.11 -0.16 0.64 -0.07 0.00 0.00 0.00 179.25 179.76 1iku h LEU 9 N -0.57 0.43 -0.73 0.00 3.38 -1.48 0.43 115.31 116.78 1iku h LEU 9 Ca -0.00 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1iku h LEU 9 Cb 0.63 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1iku h LEU 9 CO 0.00 0.13 0.01 0.28 0.09 0.00 0.00 178.44 178.95 1iku h SER 10 N 0.41 0.95 -0.05 -0.43 0.02 -1.47 -0.04 113.55 112.94 1iku h SER 10 Ca 0.54 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1iku h SER 10 Cb 1.34 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 1iku h SER 10 CO -0.23 1.01 -0.02 0.50 -1.14 0.00 0.00 176.83 176.95 1iku h LYS 11 N 0.90 0.10 -0.68 3.45 3.64 -0.06 0.17 116.57 124.10 1iku h LYS 11 Ca 0.17 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1iku h LYS 11 Cb 0.52 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1iku h LYS 11 CO 0.03 0.45 0.45 1.49 -2.27 0.00 0.00 179.45 179.60 1iku h GLU 12 N -0.25 0.89 0.63 1.90 4.22 -1.04 0.57 114.58 121.50 1iku h GLU 12 Ca 0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.37 1iku h GLU 12 Cb 0.42 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1iku h GLU 12 CO 0.01 0.59 -0.30 0.82 -2.18 0.00 0.00 179.01 177.94 1iku h ILE 13 N 0.92 0.06 -0.44 2.32 2.04 -0.94 -0.87 117.51 120.60 1iku h ILE 13 Ca 0.25 -0.38 0.13 0.00 1.00 0.00 0.00 64.86 65.86 1iku h ILE 13 Cb -0.10 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.04 1iku h ILE 13 CO -0.06 0.01 0.48 -0.07 0.00 0.00 0.00 178.15 178.51 1iku h LEU 14 N -1.20 0.00 -0.00 1.44 3.38 -0.61 0.01 115.31 118.33 1iku h LEU 14 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1iku h LEU 14 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1iku h LEU 14 CO 0.14 0.00 -0.05 -0.33 0.09 0.00 0.00 178.44 178.29 1iku h GLU 15 N 0.00 0.03 -0.79 1.13 5.08 -0.63 -3.22 114.58 116.18 1iku h GLU 15 Ca 0.21 -0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.68 1iku h GLU 15 Cb 1.16 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 1iku h GLU 15 CO -0.00 0.81 0.52 0.93 -1.00 0.00 0.00 179.01 180.27 1iku h GLU 16 N -0.73 0.46 -0.15 2.33 4.39 0.44 -2.83 114.58 118.50 1iku h GLU 16 Ca -0.01 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1iku h GLU 16 Cb 0.82 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1iku h GLU 16 CO 0.01 0.31 -0.11 1.25 -1.16 0.00 0.00 179.01 179.31 1iku h LEU 17 N 0.48 -0.39 0.00 1.33 6.46 -1.37 -3.45 115.31 118.36 1iku h LEU 17 Ca 0.39 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.21 1iku h LEU 17 Cb 0.83 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.93 1iku h LEU 17 CO -0.14 -0.05 0.00 0.00 -0.62 0.00 0.00 178.44 177.63 1iku n GLN 18 N -3.36 0.00 0.00 1.25 1.13 -1.07 -4.96 117.38 110.38 1iku n GLN 18 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1iku n GLN 18 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.40 1iku n GLN 18 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1iku n LEU 19 N 0.00 0.00 -2.95 1.08 4.77 -1.26 -5.09 117.00 113.55 1iku n LEU 19 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1iku n LEU 19 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1iku n LEU 19 CO 0.00 -0.08 0.36 0.21 -1.33 0.00 0.00 177.39 176.56 1iku s ASN 20 N -1.20 -0.71 -0.23 -1.43 2.47 -1.26 -4.83 114.94 107.75 1iku s ASN 20 Ca 0.00 -0.27 -0.11 0.00 0.42 0.00 0.00 52.86 52.90 1iku s ASN 20 Cb 0.00 1.01 -0.05 0.00 -1.45 0.00 0.00 41.25 40.77 1iku s ASN 20 CO 0.00 -0.09 0.20 0.28 -3.72 0.00 0.00 177.10 173.77 1iku s THR 21 N 2.13 5.33 0.08 -5.21 -1.32 -1.23 -4.59 115.64 110.83 1iku s THR 21 Ca 0.17 0.27 -0.01 0.00 -1.21 0.00 0.00 61.69 60.91 1iku s THR 21 Cb -0.00 -3.54 -0.26 0.00 -1.51 0.00 0.00 72.50 67.19 1iku s THR 21 CO -0.15 0.33 1.14 0.50 -2.21 0.00 0.00 174.62 174.24 1iku h LYS 22 N 7.48 0.19 -6.08 7.08 1.63 -1.93 -3.45 116.57 121.48 1iku h LYS 22 Ca -0.38 -0.33 -0.77 0.00 -0.85 0.00 0.00 60.65 58.32 1iku h LYS 22 Cb 1.17 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1iku h LYS 22 CO 0.67 1.14 0.94 1.19 -3.45 0.00 0.00 179.45 179.94 1iku n PHE 23 N -3.47 1.85 -0.53 1.91 3.01 -1.26 -4.88 117.46 114.10 1iku n PHE 23 Ca -0.07 0.69 -0.26 0.00 1.01 0.00 0.00 57.45 58.83 1iku n PHE 23 Cb 1.00 -2.39 0.19 0.00 -0.01 0.00 0.00 39.48 38.27 1iku n PHE 23 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1iku n THR 24 N 4.90 0.00 0.04 4.37 5.66 -1.26 -4.80 114.28 123.19 1iku n THR 24 Ca 0.32 -0.16 -0.10 0.00 -3.05 0.00 0.00 64.05 61.06 1iku n THR 24 Cb 0.07 -0.64 0.04 0.00 -1.55 0.00 0.00 70.33 68.25 1iku n THR 24 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1iku h GLU 25 N -2.62 0.44 -0.98 1.09 9.09 -1.89 -3.12 114.58 116.59 1iku h GLU 25 Ca -0.40 -0.34 0.10 0.00 0.05 0.00 0.00 59.36 58.77 1iku h GLU 25 Cb 1.11 0.06 -0.07 0.00 -1.65 0.00 0.00 28.75 28.20 1iku h GLU 25 CO 0.27 0.96 0.63 0.93 0.05 0.00 0.00 179.01 181.85 1iku h GLU 26 N 0.31 1.00 0.63 1.06 3.07 -1.90 -1.54 114.58 117.22 1iku h GLU 26 Ca -0.02 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 1iku h GLU 26 Cb 1.24 -0.23 0.01 0.00 -0.84 0.00 0.00 28.75 28.93 1iku h GLU 26 CO 0.12 0.66 -0.30 0.93 -1.40 0.00 0.00 179.01 179.02 1iku h GLU 27 N 1.03 -0.82 -0.83 2.33 5.08 -1.88 -2.03 114.58 117.46 1iku h GLU 27 Ca 0.46 0.06 0.22 0.00 -1.00 0.00 0.00 59.36 59.09 1iku h GLU 27 Cb 0.37 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1iku h GLU 27 CO -0.22 -0.53 0.58 -0.07 -1.00 0.00 0.00 179.01 177.77 1iku h LEU 28 N -0.89 0.18 0.63 1.33 3.38 -1.46 0.15 115.31 118.63 1iku h LEU 28 Ca -0.09 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1iku h LEU 28 Cb 0.67 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.41 1iku h LEU 28 CO 0.14 0.07 -0.30 -1.28 0.09 0.00 0.00 178.44 177.16 1iku h SER 29 N 0.18 -0.72 -0.11 -0.43 0.87 -0.60 0.36 113.55 113.10 1iku h SER 29 Ca 0.41 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.92 1iku h SER 29 Cb 1.34 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.47 1iku h SER 29 CO -0.08 -0.43 -0.06 0.28 -0.53 0.00 0.00 176.83 176.01 1iku h SER 30 N -0.97 0.35 -0.04 6.23 0.02 -0.72 -2.27 113.55 116.14 1iku h SER 30 Ca -0.09 -0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.66 1iku h SER 30 Cb 0.69 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1iku h SER 30 CO 0.14 0.46 -0.42 -0.25 -1.14 0.00 0.00 176.83 175.61 1iku h TRP 31 N 0.36 0.69 0.84 3.45 7.01 -0.54 -0.07 115.95 127.68 1iku h TRP 31 Ca 0.08 -0.21 -0.04 0.00 2.11 0.00 0.00 58.89 60.83 1iku h TRP 31 Cb 0.33 -0.14 0.01 0.00 -2.10 0.00 0.00 29.16 27.26 1iku h TRP 31 CO 0.01 0.90 -0.40 -0.92 -2.79 0.00 0.00 178.44 175.24 1iku h TYR 32 N 0.47 -1.05 -0.54 2.65 3.20 0.30 0.81 116.97 122.81 1iku h TYR 32 Ca 0.04 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1iku h TYR 32 Cb 0.93 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 1iku h TYR 32 CO 0.04 -0.64 0.14 1.96 -1.64 0.00 0.00 178.16 178.02 1iku h GLN 33 N -1.20 0.86 -0.02 1.82 4.20 -1.54 -0.04 115.11 119.19 1iku h GLN 33 Ca -0.12 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.32 1iku h GLN 33 Cb 0.87 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1iku h GLN 33 CO 0.19 0.80 -0.34 0.77 -0.67 0.00 0.00 178.83 179.58 1iku h SER 34 N 0.76 0.03 0.02 1.46 0.02 -0.95 0.44 113.55 115.33 1iku h SER 34 Ca 0.17 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1iku h SER 34 Cb 0.32 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1iku h SER 34 CO -0.00 0.37 -0.21 0.15 -1.14 0.00 0.00 176.83 176.00 1iku h PHE 35 N 0.03 0.18 0.00 3.45 3.57 0.11 -2.82 116.94 121.46 1iku h PHE 35 Ca 0.00 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1iku h PHE 35 Cb 0.62 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1iku h PHE 35 CO 0.00 0.97 0.00 -0.07 -2.23 0.00 0.00 178.31 176.99 1iku h LEU 36 N -0.67 0.00 -0.05 0.59 3.38 -0.96 -2.87 115.31 114.74 1iku h LEU 36 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1iku h LEU 36 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1iku h LEU 36 CO 0.04 0.00 -0.10 0.50 0.09 0.00 0.00 178.44 178.97 1iku h LYS 37 N 0.00 0.16 -0.91 1.13 3.64 -0.13 -3.16 116.57 117.30 1iku h LYS 37 Ca 0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1iku h LYS 37 Cb 0.68 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 1iku h LYS 37 CO 0.00 0.68 0.57 0.93 -2.27 0.00 0.00 179.45 179.36 1iku h GLU 38 N -0.35 1.21 -7.42 1.90 4.39 -1.44 -3.43 114.58 109.44 1iku h GLU 38 Ca 0.00 -0.09 -0.47 0.00 0.34 0.00 0.00 59.36 59.14 1iku h GLU 38 Cb 0.67 -0.26 0.13 0.00 -0.10 0.00 0.00 28.75 29.19 1iku h GLU 38 CO 0.02 0.83 0.29 0.00 -1.16 0.00 0.00 179.01 178.99 1iku h PRO 40 N -1.42 0.18 0.00 0.00 0.11 -1.83 -3.43 132.00 125.60 1iku h PRO 40 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1iku h PRO 40 Cb 1.30 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1iku h PRO 40 CO 0.59 0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 177.37 1iku n SER 41 N -5.09 0.00 0.00 -2.05 3.41 -1.26 -4.99 113.62 103.64 1iku n SER 41 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1iku n SER 41 Cb 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1iku n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iku n GLY 42 N -0.16 0.00 3.69 5.00 0.00 -1.26 -4.95 105.19 107.50 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 4.29 0.19 1.61 0.52 -1.26 0.43 118.95 124.73 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 -3.51 -0.05 0.00 0.52 0.00 0.00 34.95 31.91 1iku s ARG 43 CO 0.00 -0.07 -0.06 0.96 0.02 0.00 0.00 175.30 176.14 1iku s ILE 44 N 1.34 1.19 0.43 1.52 -4.36 -0.51 -4.71 121.20 116.10 1iku s ILE 44 Ca 0.30 -2.07 0.08 0.00 -0.26 0.00 0.00 60.65 58.69 1iku s ILE 44 Cb -0.16 -2.09 -0.02 0.00 1.25 0.00 0.00 42.46 41.44 1iku s ILE 44 CO 0.12 -0.54 0.37 0.42 0.24 0.00 0.00 174.94 175.54 1iku s THR 45 N -3.31 2.55 0.03 8.37 -4.23 -1.26 -1.62 115.64 116.16 1iku s THR 45 Ca 0.22 -1.38 -0.26 0.00 -1.18 0.00 0.00 61.69 59.09 1iku s THR 45 Cb 0.03 -2.93 -0.15 0.00 1.34 0.00 0.00 72.50 70.80 1iku s THR 45 CO 0.05 0.00 1.24 -0.09 -0.54 0.00 0.00 174.62 175.28 1iku h ARG 46 N 1.03 -0.92 -1.70 3.99 2.43 -1.99 0.63 114.38 117.84 1iku h ARG 46 Ca -0.41 0.06 0.49 0.00 -0.81 0.00 0.00 59.98 59.32 1iku h ARG 46 Cb 1.27 0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 30.96 1iku h ARG 46 CO 0.58 -0.61 1.37 1.96 -1.51 0.00 0.00 179.97 181.76 1iku h GLN 47 N -1.08 0.00 0.02 0.20 4.20 -1.97 0.30 115.11 116.77 1iku h GLN 47 Ca -0.10 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.37 1iku h GLN 47 Cb 0.73 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 1iku h GLN 47 CO 0.16 0.00 -1.34 0.93 -0.67 0.00 0.00 178.83 177.91 1iku h GLU 48 N 0.00 0.04 0.01 1.46 4.39 -1.90 -3.34 114.58 115.25 1iku h GLU 48 Ca 0.81 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 60.46 1iku h GLU 48 Cb 3.53 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 32.17 1iku h GLU 48 CO -0.01 1.03 -0.42 0.35 -1.16 0.00 0.00 179.01 178.81 1iku h PHE 49 N -0.85 -1.22 -1.01 4.33 3.57 0.19 -0.70 116.94 121.25 1iku h PHE 49 Ca -0.35 0.04 0.33 0.00 3.53 0.00 0.00 57.97 61.52 1iku h PHE 49 Cb 1.41 0.53 -0.15 0.00 2.79 0.00 0.00 35.95 40.53 1iku h PHE 49 CO 0.10 -0.45 0.58 0.37 -2.23 0.00 0.00 178.31 176.68 1iku h GLN 50 N -0.53 0.29 -0.42 1.11 4.15 -1.56 0.65 115.11 118.80 1iku h GLN 50 Ca 0.01 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 1iku h GLN 50 Cb 0.56 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 1iku h GLN 50 CO -0.27 0.19 -0.09 1.15 -1.93 0.00 0.00 178.83 177.87 1iku h THR 51 N 0.30 1.25 -0.15 2.39 2.02 -1.28 -2.16 112.91 115.29 1iku h THR 51 Ca 0.74 -1.12 -0.16 0.00 0.77 0.00 0.00 66.41 66.64 1iku h THR 51 Cb 1.74 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 1iku h THR 51 CO -0.61 0.38 -0.58 0.40 0.37 0.00 0.00 175.52 175.49 1iku h ILE 52 N 0.68 1.34 -0.09 3.11 2.04 0.12 -2.24 117.51 122.47 1iku h ILE 52 Ca 0.12 -1.86 -0.10 0.00 1.00 0.00 0.00 64.86 64.02 1iku h ILE 52 Cb 0.56 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1iku h ILE 52 CO 0.03 0.57 -0.38 0.22 0.00 0.00 0.00 178.15 178.59 1iku h TYR 53 N 0.35 0.23 0.00 1.37 3.20 -0.88 -2.77 116.97 118.47 1iku h TYR 53 Ca 0.00 -0.06 -0.16 0.00 3.14 0.00 0.00 58.73 61.65 1iku h TYR 53 Cb 1.11 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 1iku h TYR 53 CO 0.04 0.55 -0.77 1.03 -1.64 0.00 0.00 178.16 177.38 1iku h SER 54 N 0.17 0.00 0.12 -2.11 0.87 -1.27 -2.17 113.55 109.15 1iku h SER 54 Ca 0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1iku h SER 54 Cb 0.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1iku h SER 54 CO 0.06 0.77 -0.06 0.50 -0.53 0.00 0.00 176.83 177.57 1iku h LYS 55 N 0.00 -0.15 -0.09 2.24 3.64 -1.15 -3.18 116.57 117.88 1iku h LYS 55 Ca -0.01 0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.20 1iku h LYS 55 Cb 1.58 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.43 1iku h LYS 55 CO 0.10 0.23 -0.72 0.74 -2.27 0.00 0.00 179.45 177.53 1iku h PHE 56 N -0.56 0.61 -3.52 1.91 -1.00 -1.61 -3.39 116.94 109.37 1iku h PHE 56 Ca -0.02 -0.26 -0.67 0.00 2.81 0.00 0.00 57.97 59.83 1iku h PHE 56 Cb 0.45 -0.10 -0.38 0.00 3.61 0.00 0.00 35.95 39.53 1iku h PHE 56 CO 0.05 1.02 -0.59 -0.06 -1.61 0.00 0.00 178.31 177.13 1iku s PHE 57 N -3.66 3.48 0.00 -0.55 0.08 -0.82 -3.53 117.98 112.98 1iku s PHE 57 Ca -0.06 -2.88 0.00 0.00 0.12 0.00 0.00 56.93 54.11 1iku s PHE 57 Cb 0.10 -3.01 0.00 0.00 -0.57 0.00 0.00 43.02 39.54 1iku s PHE 57 CO 0.85 -0.87 0.32 -0.35 -0.10 0.00 0.00 175.22 175.07 1iku n PRO 58 N 3.81 0.00 -2.46 0.24 -0.05 -1.20 -4.15 135.00 131.18 1iku n PRO 58 Ca 0.04 0.00 -0.40 0.00 -0.05 0.00 0.00 63.50 63.09 1iku n PRO 58 Cb 0.38 -0.81 -0.01 0.00 -0.05 0.00 0.00 33.50 33.01 1iku n PRO 58 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 1iku s GLU 59 N -0.65 3.65 0.00 0.54 2.12 -1.26 -4.02 118.70 119.08 1iku s GLU 59 Ca 0.00 -1.81 0.00 0.00 0.36 0.00 0.00 54.97 53.52 1iku s GLU 59 Cb 0.00 -5.47 0.00 0.00 0.26 0.00 0.00 34.13 28.92 1iku s GLU 59 CO 0.00 -2.66 0.49 0.00 -0.54 0.00 0.00 175.26 172.56 1iku n ALA 60 N 9.77 1.92 -1.37 6.30 0.00 -1.26 -4.97 120.51 130.90 1iku n ALA 60 Ca 0.48 -0.07 0.17 0.00 0.00 0.00 0.00 53.44 54.02 1iku n ALA 60 Cb 0.46 -0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 1iku n ALA 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iku n ASP 61 N 0.00 -7.59 0.26 0.00 9.92 -1.26 -3.35 116.55 114.53 1iku n ASP 61 Ca -0.03 1.33 0.17 0.00 -0.53 0.00 0.00 54.79 55.73 1iku n ASP 61 Cb 0.46 -4.68 0.89 0.00 -0.64 0.00 0.00 41.12 37.16 1iku n ASP 61 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1iku h PRO 62 N -1.35 0.00 -0.41 -0.24 0.13 -1.92 -3.39 132.00 124.83 1iku h PRO 62 Ca -0.17 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.12 1iku h PRO 62 Cb 1.31 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.25 1iku h PRO 62 CO 0.07 0.00 -0.10 -1.59 -0.23 0.00 0.00 178.00 176.15 1iku s LYS 63 N -3.86 0.24 0.00 0.86 -2.85 -1.26 -4.69 119.74 108.18 1iku s LYS 63 Ca -0.04 0.18 0.00 0.00 -1.00 0.00 0.00 55.97 55.12 1iku s LYS 63 Cb 0.09 0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1iku s LYS 63 CO 0.30 -0.43 0.00 0.00 0.10 0.00 0.00 175.35 175.31 1iku n ALA 64 N 5.02 0.00 0.06 0.59 0.00 -1.21 -4.33 120.51 120.64 1iku n ALA 64 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 1iku n ALA 64 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 1iku n ALA 64 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1iku h TYR 65 N 0.00 -0.22 0.00 0.00 5.03 -1.98 -2.95 116.97 116.85 1iku h TYR 65 Ca 0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1iku h TYR 65 Cb 0.00 0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.35 1iku h TYR 65 CO 0.00 0.21 0.17 0.00 -1.32 0.00 0.00 178.16 177.22 1iku n ALA 66 N -2.56 0.65 -0.05 1.82 0.00 -1.26 -2.96 120.51 116.16 1iku n ALA 66 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.33 1iku n ALA 66 Cb 0.26 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.09 -0.78 0.00 -0.00 -1.71 -0.80 115.11 111.73 1iku h GLN 67 Ca 0.00 0.01 0.06 0.00 -0.00 0.00 0.00 58.65 58.71 1iku h GLN 67 Cb 0.34 0.02 -0.06 0.00 0.00 0.00 0.00 27.48 27.79 1iku h GLN 67 CO 0.00 -0.06 0.47 1.12 0.00 0.00 0.00 178.83 180.37 1iku h HIS 68 N -0.09 0.88 -0.26 3.99 2.07 -1.77 -2.74 115.15 117.22 1iku h HIS 68 Ca 0.02 0.03 0.06 0.00 -2.85 0.00 0.00 60.37 57.63 1iku h HIS 68 Cb 0.15 -0.28 -0.08 0.00 2.57 0.00 0.00 27.41 29.77 1iku h HIS 68 CO -0.68 0.45 -0.37 0.28 -3.07 0.00 0.00 177.93 174.54 1iku h VAL 69 N 0.88 0.19 -0.82 6.12 2.07 -1.52 0.25 116.25 123.42 1iku h VAL 69 Ca 0.34 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.99 1iku h VAL 69 Cb 0.15 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.05 1iku h VAL 69 CO -0.16 0.00 0.54 0.15 0.02 0.00 0.00 177.57 178.11 1iku h PHE 70 N -0.37 0.69 0.00 1.57 3.57 -0.89 0.13 116.94 121.63 1iku h PHE 70 Ca 0.12 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 1iku h PHE 70 Cb 0.58 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1iku h PHE 70 CO -0.51 0.27 -0.49 -0.09 -2.23 0.00 0.00 178.31 175.26 1iku h ARG 71 N 0.60 0.00 -0.18 1.11 9.65 -0.52 -3.21 114.38 121.82 1iku h ARG 71 Ca 0.40 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.25 1iku h ARG 71 Cb 0.72 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 1iku h ARG 71 CO -0.16 0.49 -0.04 1.03 2.80 0.00 0.00 179.97 184.09 1iku h SER 72 N 0.00 0.35 -0.21 -3.80 0.87 0.21 -2.63 113.55 108.35 1iku h SER 72 Ca -0.00 -0.36 0.06 0.00 -1.23 0.00 0.00 61.79 60.25 1iku h SER 72 Cb 0.98 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 1iku h SER 72 CO 0.06 0.63 0.38 -0.26 -0.53 0.00 0.00 176.83 177.12 1iku h PHE 73 N 0.07 0.00 -5.66 2.24 -1.00 -1.48 -3.47 116.94 107.65 1iku h PHE 73 Ca 0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1iku h PHE 73 Cb 0.47 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.02 1iku h PHE 73 CO 0.05 0.00 -0.98 -0.25 -1.61 0.00 0.00 178.31 175.52 1iku n ASP 74 N -3.32 -6.64 -4.72 2.17 9.92 -0.99 -4.79 116.55 108.18 1iku n ASP 74 Ca 0.03 1.02 -0.43 0.00 -0.53 0.00 0.00 54.79 54.88 1iku n ASP 74 Cb 0.50 -3.66 -0.03 0.00 -0.64 0.00 0.00 41.12 37.29 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 1.19 2.31 -1.26 2.24 0.00 -1.26 -4.97 120.51 118.75 1iku n ALA 75 Ca -0.05 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.64 1iku n ALA 75 Cb 0.25 -2.45 0.18 0.00 0.00 0.00 0.00 19.45 17.44 1iku n ALA 75 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1iku n ASN 76 N 2.96 -1.20 -0.32 0.00 0.23 -1.25 -4.80 115.26 110.88 1iku n ASN 76 Ca 0.13 -1.12 0.02 0.00 -0.53 0.00 0.00 54.58 53.08 1iku n ASN 76 Cb 0.34 -0.76 0.17 0.00 -2.08 0.00 0.00 39.78 37.44 1iku n ASN 76 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1iku h SER 77 N -1.98 0.86 -0.42 0.53 0.02 -1.93 0.22 113.55 110.84 1iku h SER 77 Ca -0.32 0.03 0.12 0.00 -0.84 0.00 0.00 61.79 60.78 1iku h SER 77 Cb 0.93 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1iku h SER 77 CO 0.21 0.52 0.33 0.44 -1.14 0.00 0.00 176.83 177.19 1iku h ASP 78 N 0.98 0.00 -0.64 3.07 3.32 -2.02 -3.45 116.42 117.68 1iku h ASP 78 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1iku h ASP 78 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1iku h ASP 78 CO -0.20 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.93 1iku n GLY 79 N -1.59 0.95 3.16 2.75 0.00 0.06 -5.08 105.19 105.45 1iku n GLY 79 Ca 0.07 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.64 0.16 0.13 2.61 -4.23 -1.26 -4.26 115.64 106.14 1iku s THR 80 Ca 0.00 -1.63 -0.18 0.00 -1.18 0.00 0.00 61.69 58.71 1iku s THR 80 Cb 0.00 -1.62 0.04 0.00 1.34 0.00 0.00 72.50 72.26 1iku s THR 80 CO 0.00 -0.73 0.44 -1.48 -0.54 0.00 0.00 174.62 172.32 1iku s LEU 81 N -2.94 0.19 0.23 4.79 0.05 -0.64 -3.81 118.68 116.55 1iku s LEU 81 Ca 0.11 -0.25 -0.30 0.00 0.05 0.00 0.00 54.13 53.75 1iku s LEU 81 Cb 0.07 2.01 -0.09 0.00 -2.05 0.00 0.00 46.19 46.12 1iku s LEU 81 CO -0.07 -0.88 1.22 -1.81 -0.55 0.00 0.00 176.35 174.27 1iku s ASP 82 N -2.79 7.03 -0.20 1.48 1.11 -1.26 -1.43 116.67 120.61 1iku s ASP 82 Ca 0.02 2.35 -0.18 0.00 0.18 0.00 0.00 52.55 54.93 1iku s ASP 82 Cb 0.01 -2.62 -0.20 0.00 1.07 0.00 0.00 42.92 41.19 1iku s ASP 82 CO -0.12 -0.39 0.18 0.33 1.18 0.00 0.00 175.17 176.35 1iku n PHE 83 N 2.03 0.95 -0.06 4.23 7.35 0.17 -3.52 117.46 128.61 1iku n PHE 83 Ca 0.03 0.36 -0.08 0.00 -0.76 0.00 0.00 57.45 57.00 1iku n PHE 83 Cb 0.44 -1.10 -0.02 0.00 0.35 0.00 0.00 39.48 39.15 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 -0.79 -0.27 -0.82 -4.13 1.57 -1.93 0.17 116.57 110.37 1iku h LYS 84 Ca -0.40 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.38 1iku h LYS 84 Cb 1.48 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.81 1iku h LYS 84 CO -0.18 -0.18 0.43 0.93 -0.57 0.00 0.00 179.45 179.89 1iku h GLU 85 N -0.28 1.15 -0.30 3.15 5.08 -1.95 -1.60 114.58 119.84 1iku h GLU 85 Ca 0.14 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1iku h GLU 85 Cb 0.50 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1iku h GLU 85 CO -0.43 0.86 0.20 -0.92 -1.00 0.00 0.00 179.01 177.72 1iku h TYR 86 N 1.14 0.36 0.47 4.33 3.20 -1.22 -2.20 116.97 123.04 1iku h TYR 86 Ca 0.29 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 1iku h TYR 86 Cb 0.06 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1iku h TYR 86 CO 0.01 0.23 -0.22 0.28 -1.64 0.00 0.00 178.16 176.81 1iku h VAL 87 N 0.39 0.07 -0.59 1.81 2.07 0.21 -2.53 116.25 117.68 1iku h VAL 87 Ca 0.11 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.15 1iku h VAL 87 Cb -0.03 0.11 -0.10 0.00 -1.52 0.00 0.00 31.29 29.76 1iku h VAL 87 CO -0.02 0.02 -0.52 0.40 0.02 0.00 0.00 177.57 177.47 1iku h ILE 88 N -1.14 0.03 -0.91 4.57 2.04 -1.24 0.52 117.51 121.38 1iku h ILE 88 Ca -0.06 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.00 1iku h ILE 88 Cb 0.51 0.03 -0.12 0.00 -0.74 0.00 0.00 36.82 36.50 1iku h ILE 88 CO 0.11 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.70 1iku h ALA 89 N 0.32 1.48 0.81 1.87 0.00 -1.49 -1.66 119.26 120.59 1iku h ALA 89 Ca 0.13 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1iku h ALA 89 Cb 0.55 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1iku h ALA 89 CO -0.70 -0.26 -0.40 1.25 0.00 0.00 0.00 179.25 179.14 1iku h LEU 90 N 0.49 -0.96 -0.73 0.00 6.46 0.40 -3.18 115.31 117.81 1iku h LEU 90 Ca 0.56 0.04 0.07 0.00 -0.12 0.00 0.00 57.88 58.42 1iku h LEU 90 Cb 1.00 0.25 -0.10 0.00 -0.73 0.00 0.00 40.66 41.08 1iku h LEU 90 CO -0.48 -0.67 -0.57 0.45 -0.62 0.00 0.00 178.44 176.55 1iku h HIS 91 N -1.10 -1.81 -2.39 1.25 3.86 -0.15 -3.37 115.15 111.44 1iku h HIS 91 Ca -0.11 0.11 -0.23 0.00 -1.16 0.00 0.00 60.37 58.97 1iku h HIS 91 Cb 0.85 0.88 0.13 0.00 1.06 0.00 0.00 27.41 30.33 1iku h HIS 91 CO 0.03 -0.43 -0.03 -1.33 0.86 0.00 0.00 177.93 177.04 1iku n MET 92 N -5.31 -3.13 -1.25 2.45 2.81 -0.71 -3.29 117.12 108.70 1iku n MET 92 Ca -0.00 -0.98 0.00 0.00 -1.81 0.00 0.00 57.70 54.91 1iku n MET 92 Cb 0.30 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 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 -4.39 0.00 -2.93 2.03 5.66 -1.26 -4.65 114.28 108.74 1iku n THR 93 Ca 0.09 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.12 1iku n THR 93 Cb 0.37 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 1iku n THR 93 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1iku s SER 94 N -1.15 -0.49 0.03 1.09 0.15 -1.21 -4.82 113.70 107.31 1iku s SER 94 Ca 0.00 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1iku s SER 94 Cb 0.00 0.84 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 1iku s SER 94 CO 0.00 -0.07 0.00 0.00 1.20 0.00 0.00 173.24 174.37 1iku n ALA 95 N 4.22 0.00 0.00 5.45 0.00 -1.26 -4.71 120.51 124.21 1iku n ALA 95 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1iku n ALA 95 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.44 1.89 3.88 0.00 0.00 -1.26 -4.49 105.19 103.77 1iku n GLY 96 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 3.61 0.00 1.61 3.01 -1.26 -5.04 119.74 121.66 1iku s LYS 97 Ca 0.00 0.57 0.00 0.00 -1.01 0.00 0.00 55.97 55.53 1iku s LYS 97 Cb 0.00 -2.19 0.00 0.00 -1.01 0.00 0.00 37.83 34.63 1iku s LYS 97 CO 0.00 -0.42 0.00 2.41 0.51 0.00 0.00 175.35 177.85 1iku n THR 98 N -2.48 0.00 0.30 2.17 -1.04 -1.26 -4.26 114.28 107.72 1iku n THR 98 Ca 0.04 0.35 0.01 0.00 -2.04 0.00 0.00 64.05 62.41 1iku n THR 98 Cb 0.54 -1.23 0.01 0.00 -1.82 0.00 0.00 70.33 67.84 1iku n THR 98 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1iku n ASN 99 N -1.94 0.00 -0.11 8.00 6.94 -1.26 0.60 115.26 127.50 1iku n ASN 99 Ca 0.00 0.50 -0.12 0.00 -0.02 0.00 0.00 54.58 54.93 1iku n ASN 99 Cb 0.00 -0.01 -0.03 0.00 -2.36 0.00 0.00 39.78 37.38 1iku n ASN 99 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1iku h GLN 100 N 0.00 0.69 0.00 -3.83 4.20 -1.99 -3.21 115.11 110.97 1iku h GLN 100 Ca 0.02 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1iku h GLN 100 Cb 1.99 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.76 1iku h GLN 100 CO -0.00 0.92 -0.92 0.36 -0.67 0.00 0.00 178.83 178.52 1iku n LYS 101 N -4.33 0.47 0.18 1.46 2.85 0.20 -3.97 118.16 115.03 1iku n LYS 101 Ca -0.03 0.09 -0.07 0.00 -1.05 0.00 0.00 58.31 57.25 1iku n LYS 101 Cb 0.41 -1.75 -0.03 0.00 -0.65 0.00 0.00 35.03 33.01 1iku n LYS 101 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1iku h LEU 102 N 0.00 -0.38 -1.03 -5.58 3.38 -1.47 -1.25 115.31 108.97 1iku h LEU 102 Ca 0.00 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.29 1iku h LEU 102 Cb 0.89 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.60 1iku h LEU 102 CO 0.00 -0.25 0.59 -0.33 0.09 0.00 0.00 178.44 178.54 1iku h GLU 103 N -0.51 0.38 0.57 1.13 5.08 -1.75 0.05 114.58 119.53 1iku h GLU 103 Ca -0.05 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1iku h GLU 103 Cb 0.35 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1iku h GLU 103 CO 0.08 0.25 -0.38 2.35 -1.00 0.00 0.00 179.01 180.31 1iku h TRP 104 N 0.39 -1.01 -0.60 4.33 7.01 -1.63 0.73 115.95 125.17 1iku h TRP 104 Ca 0.71 -0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.82 1iku h TRP 104 Cb 1.57 0.37 -0.12 0.00 -2.10 0.00 0.00 29.16 28.88 1iku h TRP 104 CO -0.01 -0.55 -0.20 0.00 -2.79 0.00 0.00 178.44 174.89 1iku h ALA 105 N -1.32 0.29 -0.46 2.65 0.00 0.14 0.20 119.26 120.76 1iku h ALA 105 Ca -0.08 0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1iku h ALA 105 Cb 0.72 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 1iku h ALA 105 CO 0.06 -0.49 -0.22 0.35 0.00 0.00 0.00 179.25 178.94 1iku h PHE 106 N -0.05 -0.56 -0.51 0.00 3.57 -0.70 0.06 116.94 118.74 1iku h PHE 106 Ca 0.28 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.84 1iku h PHE 106 Cb 0.48 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1iku h PHE 106 CO -0.53 -0.30 0.33 0.77 -2.23 0.00 0.00 178.31 176.35 1iku h SER 107 N -0.12 0.57 -0.03 0.41 0.02 0.16 0.15 113.55 114.70 1iku h SER 107 Ca 0.22 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1iku h SER 107 Cb 0.46 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 1iku h SER 107 CO -0.54 0.41 0.37 0.25 -1.14 0.00 0.00 176.83 176.19 1iku h LEU 108 N 0.68 0.00 -0.96 5.07 5.85 0.12 0.24 115.31 126.31 1iku h LEU 108 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1iku h LEU 108 Cb -0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1iku h LEU 108 CO -0.05 0.00 -0.09 -1.22 -0.34 0.00 0.00 178.44 176.74 1iku n TYR 109 N -2.93 0.00 0.54 1.25 4.01 -0.03 -4.62 117.16 115.38 1iku n TYR 109 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1iku n TYR 109 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 1iku n TYR 109 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1iku n ASP 110 N 0.02 2.20 -0.06 7.72 5.75 0.84 -3.79 116.55 129.24 1iku n ASP 110 Ca 0.04 -1.41 -0.04 0.00 -0.01 0.00 0.00 54.79 53.37 1iku n ASP 110 Cb 0.18 -0.39 -0.01 0.00 -1.03 0.00 0.00 41.12 39.87 1iku n ASP 110 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1iku h VAL 111 N 0.46 0.00 -1.13 2.12 -1.51 -1.82 -3.39 116.25 110.97 1iku h VAL 111 Ca 0.00 -0.83 -0.53 0.00 -1.23 0.00 0.00 66.70 64.11 1iku h VAL 111 Cb 0.67 0.00 -0.20 0.00 -2.13 0.00 0.00 31.29 29.63 1iku h VAL 111 CO 0.00 0.00 0.56 -0.67 -1.23 0.00 0.00 177.57 176.23 1iku n ASP 112 N -4.22 6.77 -3.15 4.19 2.03 -1.25 -4.69 116.55 116.23 1iku n ASP 112 Ca -0.05 -3.35 0.05 0.00 0.52 0.00 0.00 54.79 51.96 1iku n ASP 112 Cb 0.20 -1.15 -0.00 0.00 -0.72 0.00 0.00 41.12 39.45 1iku n ASP 112 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1iku s GLY 113 N -0.13 -0.80 0.03 0.27 0.00 -1.26 -5.00 107.32 100.44 1iku s GLY 113 Ca 0.53 2.22 -0.02 0.00 0.00 0.00 0.00 44.72 47.45 1iku s GLY 113 CO -0.20 4.01 0.22 -2.01 0.00 0.00 0.00 173.10 175.11 1iku n ASN 114 N 5.22 -0.09 -1.80 1.64 4.05 -1.26 -2.85 115.26 120.17 1iku n ASN 114 Ca 0.05 0.25 -0.04 0.00 0.45 0.00 0.00 54.58 55.29 1iku n ASN 114 Cb 0.56 -0.06 0.03 0.00 1.23 0.00 0.00 39.78 41.55 1iku n ASN 114 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1iku n GLY 115 N -1.07 1.11 3.17 8.20 0.00 -1.26 -5.00 105.19 110.34 1iku n GLY 115 Ca 0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 0.06 0.33 -0.02 2.61 -4.23 -1.13 -3.69 115.64 109.57 1iku s THR 116 Ca 0.04 -1.92 0.04 0.00 -1.18 0.00 0.00 61.69 58.67 1iku s THR 116 Cb 0.21 -2.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.05 1iku s THR 116 CO -0.06 -0.55 -0.15 -0.51 -0.54 0.00 0.00 174.62 172.82 1iku s ILE 117 N -3.89 1.17 0.48 2.99 2.07 -0.88 -4.50 121.20 118.64 1iku s ILE 117 Ca 0.22 -0.62 0.06 0.00 -1.41 0.00 0.00 60.65 58.89 1iku s ILE 117 Cb 0.07 -0.99 0.02 0.00 0.13 0.00 0.00 42.46 41.70 1iku s ILE 117 CO 0.01 0.33 0.65 -0.94 -1.91 0.00 0.00 174.94 173.09 1iku s SER 118 N -0.24 5.49 0.07 4.50 1.04 -1.26 -2.61 113.70 120.69 1iku s SER 118 Ca 0.03 -0.30 -0.26 0.00 0.48 0.00 0.00 55.95 55.90 1iku s SER 118 Cb -0.07 -0.68 -0.17 0.00 0.10 0.00 0.00 66.02 65.20 1iku s SER 118 CO -0.00 -0.93 1.61 0.50 0.98 0.00 0.00 173.24 175.40 1iku h LYS 119 N 0.41 -0.31 -1.16 4.02 3.64 -2.01 -2.39 116.57 118.77 1iku h LYS 119 Ca -0.40 0.02 0.37 0.00 -1.27 0.00 0.00 60.65 59.37 1iku h LYS 119 Cb 1.29 0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 33.05 1iku h LYS 119 CO 0.47 -0.16 0.72 -0.91 -2.27 0.00 0.00 179.45 177.30 1iku h ASN 120 N -0.40 0.36 -0.18 4.20 -0.26 -2.00 0.66 115.58 117.95 1iku h ASN 120 Ca -0.03 0.15 -0.03 0.00 -0.56 0.00 0.00 56.30 55.83 1iku h ASN 120 Cb 0.30 0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 1iku h ASN 120 CO 0.05 -0.15 -0.00 -0.33 -1.06 0.00 0.00 177.43 175.94 1iku h GLU 121 N 0.19 0.33 -0.88 0.81 3.07 -1.83 -2.71 114.58 113.56 1iku h GLU 121 Ca 0.76 -0.11 0.07 0.00 -0.50 0.00 0.00 59.36 59.58 1iku h GLU 121 Cb 2.12 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 29.94 1iku h GLU 121 CO -0.48 0.54 0.54 0.28 -1.40 0.00 0.00 179.01 178.50 1iku h VAL 122 N 0.08 1.02 -0.20 3.13 2.07 0.49 -1.93 116.25 120.91 1iku h VAL 122 Ca 0.05 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1iku h VAL 122 Cb 0.40 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 1iku h VAL 122 CO 0.01 0.18 -0.13 0.25 0.02 0.00 0.00 177.57 177.90 1iku h LEU 123 N 0.97 -0.42 -0.66 2.57 5.85 -0.98 -1.31 115.31 121.33 1iku h LEU 123 Ca 0.39 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.34 1iku h LEU 123 Cb 0.21 0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 1iku h LEU 123 CO -0.19 -0.17 0.09 -0.33 -0.34 0.00 0.00 178.44 177.50 1iku h GLU 124 N -0.12 0.19 0.24 1.25 5.08 -1.04 0.89 114.58 121.07 1iku h GLU 124 Ca 0.12 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1iku h GLU 124 Cb 0.29 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1iku h GLU 124 CO -0.28 0.13 -0.16 0.82 -1.00 0.00 0.00 179.01 178.52 1iku h ILE 125 N 0.20 0.65 -0.33 3.13 2.04 -1.06 -1.57 117.51 120.57 1iku h ILE 125 Ca 0.36 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.31 1iku h ILE 125 Cb 0.59 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1iku h ILE 125 CO -0.51 0.00 0.24 0.58 0.00 0.00 0.00 178.15 178.46 1iku h VAL 126 N -0.40 0.84 -0.00 1.67 2.07 -0.19 0.50 116.25 120.74 1iku h VAL 126 Ca -0.02 -0.01 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 1iku h VAL 126 Cb 0.34 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1iku h VAL 126 CO 0.01 0.00 -0.69 0.74 0.02 0.00 0.00 177.57 177.66 1iku h THR 127 N 0.02 1.49 -0.05 2.57 2.02 -0.05 1.00 112.91 119.90 1iku h THR 127 Ca 0.16 -2.34 -0.02 0.00 0.77 0.00 0.00 66.41 64.98 1iku h THR 127 Cb 0.60 2.26 -0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1iku h THR 127 CO -0.00 0.67 -0.05 0.00 0.37 0.00 0.00 175.52 176.51 1iku h ALA 128 N 1.31 0.07 -0.15 6.16 0.00 0.02 -1.70 119.26 124.97 1iku h ALA 128 Ca -0.01 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1iku h ALA 128 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1iku h ALA 128 CO 0.09 -0.14 -0.37 0.82 0.00 0.00 0.00 179.25 179.65 1iku h ILE 129 N -0.34 1.36 -0.95 0.00 2.04 -1.42 -2.31 117.51 115.88 1iku h ILE 129 Ca 0.01 -1.64 0.07 0.00 1.00 0.00 0.00 64.86 64.30 1iku h ILE 129 Cb 0.55 2.02 -0.07 0.00 -0.74 0.00 0.00 36.82 38.59 1iku h ILE 129 CO 0.01 0.49 0.60 0.15 0.00 0.00 0.00 178.15 179.41 1iku h PHE 130 N 0.13 1.12 0.00 1.37 3.57 -0.86 0.20 116.94 122.47 1iku h PHE 130 Ca -0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1iku h PHE 130 Cb 0.98 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1iku h PHE 130 CO 0.10 0.56 -0.34 0.87 -2.23 0.00 0.00 178.31 177.28 1iku h LYS 131 N 1.09 0.00 -0.03 1.11 1.57 -1.25 -2.23 116.57 116.83 1iku h LYS 131 Ca 0.42 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.08 1iku h LYS 131 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1iku h LYS 131 CO -0.18 0.34 -0.51 1.98 -0.57 0.00 0.00 179.45 180.51 1iku h MET 132 N 0.00 0.08 -6.08 3.15 4.05 -0.09 -3.43 114.93 112.62 1iku h MET 132 Ca -0.00 -0.05 -0.58 0.00 -0.28 0.00 0.00 59.70 58.79 1iku h MET 132 Cb 0.61 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1iku h MET 132 CO 0.04 0.58 1.41 -0.89 0.23 0.00 0.00 176.91 178.28 1iku n ILE 133 N -3.94 0.44 -1.41 1.77 5.41 -0.38 -4.81 119.36 116.45 1iku n ILE 133 Ca -0.02 -0.36 -0.37 0.00 1.00 0.00 0.00 62.75 63.00 1iku n ILE 133 Cb 0.53 -2.41 0.05 0.00 -0.71 0.00 0.00 39.64 37.10 1iku n ILE 133 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1iku n SER 134 N 10.38 -1.09 0.00 4.38 2.88 -1.26 -4.69 113.62 124.22 1iku n SER 134 Ca 0.28 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1iku n SER 134 Cb 0.42 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1iku n SER 134 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1iku n PRO 135 N -0.25 0.00 -0.04 -1.46 -0.01 -1.26 -2.19 135.00 129.78 1iku n PRO 135 Ca 0.11 0.36 -0.03 0.00 -0.01 0.00 0.00 63.50 63.93 1iku n PRO 135 Cb 0.48 -1.58 -0.01 0.00 -0.01 0.00 0.00 33.50 32.38 1iku n PRO 135 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1iku n GLU 136 N -1.35 0.27 0.08 -0.52 -0.58 -1.26 -4.16 120.64 113.12 1iku n GLU 136 Ca 0.00 0.39 0.05 0.00 -0.42 0.00 0.00 57.16 57.18 1iku n GLU 136 Cb 0.08 -1.29 0.25 0.00 -0.57 0.00 0.00 31.44 29.91 1iku n GLU 136 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1iku n ASP 137 N -3.66 0.24 0.25 1.62 2.03 -1.08 -0.64 116.55 115.32 1iku n ASP 137 Ca -0.05 0.55 0.13 0.00 0.52 0.00 0.00 54.79 55.95 1iku n ASP 137 Cb 0.17 -0.56 0.63 0.00 -0.72 0.00 0.00 41.12 40.63 1iku n ASP 137 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1iku h THR 138 N 0.00 0.37 -0.09 5.18 1.35 -1.60 -2.73 112.91 115.39 1iku h THR 138 Ca 0.00 -0.75 -0.12 0.00 -0.55 0.00 0.00 66.41 64.99 1iku h THR 138 Cb 0.20 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1iku h THR 138 CO 0.00 0.12 -0.48 0.50 -0.25 0.00 0.00 175.52 175.41 1iku h LYS 139 N 0.00 0.24 0.00 4.72 1.63 -1.09 -2.88 116.57 119.19 1iku h LYS 139 Ca -0.00 -0.13 -0.04 0.00 -0.85 0.00 0.00 60.65 59.63 1iku h LYS 139 Cb 0.54 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1iku h LYS 139 CO 0.02 0.67 -0.18 0.45 -3.45 0.00 0.00 179.45 176.96 1iku h HIS 140 N 0.19 0.00 -3.40 1.91 3.86 -1.65 -3.45 115.15 112.61 1iku h HIS 140 Ca 0.01 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.65 1iku h HIS 140 Cb 0.93 0.00 0.12 0.00 1.06 0.00 0.00 27.41 29.51 1iku h HIS 140 CO 0.02 0.18 0.46 1.28 0.86 0.00 0.00 177.93 180.73 1iku n LEU 141 N -3.44 3.69 -4.73 2.43 4.77 -1.09 -4.87 117.00 113.76 1iku n LEU 141 Ca -0.00 1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 56.70 1iku n LEU 141 Cb 0.36 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 39.95 1iku n LEU 141 CO 0.32 -0.67 1.29 -2.16 -1.33 0.00 0.00 177.39 174.84 1iku s PRO 142 N -2.05 4.16 0.63 3.23 0.04 -1.26 -4.86 135.00 134.88 1iku s PRO 142 Ca 0.59 2.52 0.38 0.00 0.04 0.00 0.00 61.00 64.53 1iku s PRO 142 Cb -0.54 -3.08 2.13 0.00 0.04 0.00 0.00 34.50 33.04 1iku s PRO 142 CO 0.60 -0.66 2.30 1.05 0.04 0.00 0.00 177.00 180.32 1iku h GLU 143 N 6.21 0.00 0.00 4.56 4.11 -1.92 -1.00 114.58 126.54 1iku h GLU 143 Ca -0.44 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.97 1iku h GLU 143 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1iku h GLU 143 CO 0.89 0.01 -0.07 0.22 0.07 0.00 0.00 179.01 180.13 1iku h ASP 144 N 0.00 0.00 -1.42 3.06 3.58 -2.02 -3.29 116.42 116.33 1iku h ASP 144 Ca -0.00 0.00 -0.44 0.00 0.42 0.00 0.00 57.03 57.01 1iku h ASP 144 Cb 0.05 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 40.78 1iku h ASP 144 CO 0.00 0.07 -0.95 -1.84 -2.88 0.00 0.00 179.24 173.64 1iku n GLU 145 N -3.98 0.85 -0.41 0.28 0.28 -0.39 -4.93 120.64 112.34 1iku n GLU 145 Ca -0.03 -2.87 0.06 0.00 -0.16 0.00 0.00 57.16 54.16 1iku n GLU 145 Cb 0.16 -1.39 0.23 0.00 1.43 0.00 0.00 31.44 31.87 1iku n GLU 145 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1iku n ASN 146 N 0.92 3.28 -4.20 -1.84 6.94 -1.15 -4.53 115.26 114.69 1iku n ASN 146 Ca 0.18 -2.31 -0.23 0.00 -0.02 0.00 0.00 54.58 52.21 1iku n ASN 146 Cb 0.61 -0.47 -0.14 0.00 -2.36 0.00 0.00 39.78 37.42 1iku n ASN 146 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1iku s THR 147 N -1.77 1.40 0.66 5.53 -4.23 -1.26 -5.00 115.64 110.97 1iku s THR 147 Ca 0.33 -1.12 0.36 0.00 -1.18 0.00 0.00 61.69 60.08 1iku s THR 147 Cb 0.21 -1.24 0.36 0.00 1.34 0.00 0.00 72.50 73.18 1iku s THR 147 CO 0.15 0.09 2.12 -0.65 -0.54 0.00 0.00 174.62 175.79 1iku h PRO 148 N 4.85 0.00 0.13 3.99 0.10 -1.91 0.19 132.00 139.35 1iku h PRO 148 Ca -0.41 0.00 -0.26 0.00 0.10 0.00 0.00 66.00 65.43 1iku h PRO 148 Cb 1.17 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.27 1iku h PRO 148 CO 0.44 0.00 -1.32 0.93 0.10 0.00 0.00 178.00 178.15 1iku h GLU 149 N 0.00 0.27 0.00 1.05 5.08 -1.95 -2.75 114.58 116.28 1iku h GLU 149 Ca 0.00 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1iku h GLU 149 Cb 0.37 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1iku h GLU 149 CO 0.00 1.22 -0.04 0.87 -1.00 0.00 0.00 179.01 180.06 1iku h LYS 150 N -0.29 0.00 0.02 2.33 6.56 -1.59 -1.58 116.57 122.01 1iku h LYS 150 Ca -0.28 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.31 1iku h LYS 150 Cb 1.76 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.42 1iku h LYS 150 CO 0.09 0.04 -0.01 -0.09 -2.06 0.00 0.00 179.45 177.42 1iku h ARG 151 N 0.00 -0.02 0.00 3.15 9.65 -0.78 -2.68 114.38 123.70 1iku h ARG 151 Ca -0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1iku h ARG 151 Cb 0.80 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 1iku h ARG 151 CO 0.01 0.72 -0.20 0.00 2.80 0.00 0.00 179.97 183.30 1iku h ALA 152 N 0.12 1.09 -0.35 2.80 0.00 -1.48 -2.75 119.26 118.68 1iku h ALA 152 Ca -0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1iku h ALA 152 Cb 0.75 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1iku h ALA 152 CO 0.00 0.25 -0.22 0.93 0.00 0.00 0.00 179.25 180.21 1iku h GLU 153 N 0.00 0.78 -0.33 0.00 4.39 -1.30 0.24 114.58 118.37 1iku h GLU 153 Ca -0.00 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 59.33 1iku h GLU 153 Cb 0.63 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1iku h GLU 153 CO 0.03 0.99 0.19 -0.22 -1.16 0.00 0.00 179.01 178.83 1iku h LYS 154 N 0.56 0.45 0.00 2.33 1.63 -1.19 0.15 116.57 120.51 1iku h LYS 154 Ca 0.07 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1iku h LYS 154 Cb 0.78 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.32 1iku h LYS 154 CO 0.06 0.36 -0.00 0.82 -3.45 0.00 0.00 179.45 177.24 1iku h ILE 155 N 0.41 1.27 -0.52 2.00 2.04 -1.42 -0.93 117.51 120.36 1iku h ILE 155 Ca 0.12 -0.81 0.06 0.00 1.00 0.00 0.00 64.86 65.22 1iku h ILE 155 Cb 0.04 1.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 1iku h ILE 155 CO -0.02 0.21 0.22 -0.25 0.00 0.00 0.00 178.15 178.31 1iku h TRP 156 N -0.35 0.40 -0.34 1.37 2.91 -0.40 0.21 115.95 119.75 1iku h TRP 156 Ca -0.00 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.01 1iku h TRP 156 Cb 0.35 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 1iku h TRP 156 CO 0.05 0.16 0.07 0.78 -1.03 0.00 0.00 178.44 178.47 1iku h GLY 157 N 0.43 0.60 1.42 2.65 0.00 -0.68 -2.75 103.07 104.74 1iku h GLY 157 Ca 0.24 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1iku h GLY 157 CO -0.21 0.36 0.14 0.74 0.00 0.00 0.00 176.54 177.57 1iku h PHE 158 N 0.40 0.75 0.38 5.60 -1.00 -0.63 -2.77 116.94 119.66 1iku h PHE 158 Ca 0.11 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1iku h PHE 158 Cb 0.32 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 1iku h PHE 158 CO 0.02 0.62 -0.34 0.74 -1.61 0.00 0.00 178.31 177.74 1iku h PHE 159 N 0.72 -0.95 0.00 -0.55 0.04 -0.30 -3.44 116.94 112.46 1iku h PHE 159 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1iku h PHE 159 Cb 0.23 0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.74 1iku h PHE 159 CO 0.01 -0.47 0.00 0.41 -0.60 0.00 0.00 178.31 177.67 1iku n GLY 160 N -1.39 0.10 2.21 -1.45 0.00 -1.11 -5.06 105.19 98.48 1iku n GLY 160 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1iku n GLY 160 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iku n LYS 161 N -0.07 0.00 -0.67 1.61 5.02 -1.05 -4.99 118.16 118.00 1iku n LYS 161 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1iku n LYS 161 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1iku n LYS 161 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1iku n LYS 162 N -3.47 0.00 -0.61 1.97 5.02 -1.26 -4.63 118.16 115.18 1iku n LYS 162 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1iku n LYS 162 Cb 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.20 1iku n LYS 162 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1iku n ASP 163 N -0.99 -2.28 -3.60 4.39 5.75 -1.26 -4.27 116.55 114.29 1iku n ASP 163 Ca 0.00 -0.90 -0.21 0.00 -0.01 0.00 0.00 54.79 53.67 1iku n ASP 163 Cb 0.00 -0.74 0.05 0.00 -1.03 0.00 0.00 41.12 39.40 1iku n ASP 163 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1iku n ASP 164 N -4.56 -2.20 -3.40 -1.12 -0.08 -1.26 -4.99 116.55 98.93 1iku n ASP 164 Ca 0.11 -0.78 -0.10 0.00 -1.51 0.00 0.00 54.79 52.51 1iku n ASP 164 Cb 0.43 -4.34 -0.09 0.00 2.34 0.00 0.00 41.12 39.46 1iku n ASP 164 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1iku s ASP 165 N -4.20 0.29 0.44 1.67 -1.08 -1.26 -5.12 116.67 107.40 1iku s ASP 165 Ca 0.08 0.28 -0.06 0.00 -0.52 0.00 0.00 52.55 52.33 1iku s ASP 165 Cb -0.02 1.06 -0.04 0.00 -1.46 0.00 0.00 42.92 42.46 1iku s ASP 165 CO 0.79 -0.29 0.74 -0.54 0.52 0.00 0.00 175.17 176.39 1iku s LYS 166 N 2.53 3.60 -0.12 4.34 3.01 -1.26 -4.77 119.74 127.07 1iku s LYS 166 Ca 0.10 0.20 0.00 0.00 -1.01 0.00 0.00 55.97 55.27 1iku s LYS 166 Cb -0.15 -2.42 -0.02 0.00 -1.01 0.00 0.00 37.83 34.23 1iku s LYS 166 CO -0.15 -0.11 -0.13 -0.51 0.51 0.00 0.00 175.35 174.96 1iku s LEU 167 N -4.41 2.72 0.61 3.17 1.43 -1.07 -4.94 118.68 116.20 1iku s LEU 167 Ca 0.47 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1iku s LEU 167 Cb -0.10 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.56 1iku s LEU 167 CO 0.40 0.20 0.88 0.42 0.23 0.00 0.00 176.35 178.47 1iku s THR 168 N 0.17 2.63 0.43 5.49 -4.23 -1.26 -2.07 115.64 116.80 1iku s THR 168 Ca -0.07 -0.45 0.27 0.00 -1.18 0.00 0.00 61.69 60.26 1iku s THR 168 Cb -0.15 -3.05 0.46 0.00 1.34 0.00 0.00 72.50 71.10 1iku s THR 168 CO 0.05 -0.05 1.68 -0.33 -0.54 0.00 0.00 174.62 175.43 1iku h GLU 169 N -0.21 0.17 0.00 3.99 5.08 -1.98 -0.50 114.58 121.13 1iku h GLU 169 Ca -0.43 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1iku h GLU 169 Cb 1.30 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1iku h GLU 169 CO 0.56 0.11 -0.17 0.87 -1.00 0.00 0.00 179.01 179.38 1iku h LYS 170 N 0.18 0.00 -0.98 2.33 1.79 -1.93 -2.66 116.57 115.30 1iku h LYS 170 Ca 0.74 0.00 0.34 0.00 -2.18 0.00 0.00 60.65 59.54 1iku h LYS 170 Cb 2.24 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 32.72 1iku h LYS 170 CO -0.35 0.24 0.43 0.93 -1.08 0.00 0.00 179.45 179.61 1iku h GLU 171 N -1.00 0.14 0.13 3.15 5.08 -1.70 1.63 114.58 122.01 1iku h GLU 171 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1iku h GLU 171 Cb 0.35 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1iku h GLU 171 CO -0.01 0.09 -0.06 0.35 -1.00 0.00 0.00 179.01 178.38 1iku h PHE 172 N 0.14 -0.16 0.39 4.33 3.57 -1.25 0.18 116.94 124.14 1iku h PHE 172 Ca 0.73 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.21 1iku h PHE 172 Cb 1.73 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.53 1iku h PHE 172 CO -0.12 0.31 -0.19 0.82 -2.23 0.00 0.00 178.31 176.90 1iku h ILE 173 N -0.82 0.00 -0.10 1.41 1.08 -0.58 -2.59 117.51 115.90 1iku h ILE 173 Ca -0.02 -0.17 0.03 0.00 -0.39 0.00 0.00 64.86 64.31 1iku h ILE 173 Cb 0.55 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.29 1iku h ILE 173 CO 0.03 0.00 0.29 -0.08 -0.69 0.00 0.00 178.15 177.70 1iku h GLU 174 N -0.70 0.00 -0.25 2.37 4.22 0.21 -0.62 114.58 119.81 1iku h GLU 174 Ca -0.05 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.29 1iku h GLU 174 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1iku h GLU 174 CO 0.09 0.00 -0.20 0.78 -2.18 0.00 0.00 179.01 177.49 1iku h GLY 175 N 0.00 0.63 0.30 1.92 0.00 -0.69 -2.04 103.07 103.20 1iku h GLY 175 Ca 0.05 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1iku h GLY 175 CO -0.00 0.56 -0.14 -0.91 0.00 0.00 0.00 176.54 176.06 1iku h THR 176 N 0.30 0.11 -0.70 4.70 1.35 -0.75 -3.18 112.91 114.75 1iku h THR 176 Ca 0.05 -0.77 0.14 0.00 -0.55 0.00 0.00 66.41 65.27 1iku h THR 176 Cb 0.75 0.19 -0.10 0.00 -1.73 0.00 0.00 68.15 67.26 1iku h THR 176 CO 0.05 0.03 0.20 0.25 -0.25 0.00 0.00 175.52 175.80 1iku h LEU 177 N -1.08 0.09 0.00 3.87 6.46 -1.57 -3.25 115.31 119.82 1iku h LEU 177 Ca -0.04 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1iku h LEU 177 Cb 0.34 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1iku h LEU 177 CO 0.06 0.02 0.00 0.00 -0.62 0.00 0.00 178.44 177.90 1iku n ALA 178 N -2.60 0.00 -1.73 1.25 0.00 -0.76 -4.72 120.51 111.95 1iku n ALA 178 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 1iku n ALA 178 Cb 0.40 0.03 0.01 0.00 0.00 0.00 0.00 19.45 19.89 1iku n ALA 178 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1iku s ASN 179 N -2.17 5.67 -0.09 0.00 0.02 -1.20 -4.97 114.94 112.20 1iku s ASN 179 Ca 0.00 2.11 -0.07 0.00 -1.02 0.00 0.00 52.86 53.88 1iku s ASN 179 Cb 0.00 -2.57 -0.27 0.00 0.02 0.00 0.00 41.25 38.42 1iku s ASN 179 CO 0.00 -1.25 0.47 0.07 0.02 0.00 0.00 177.10 176.41 1iku h LYS 180 N 1.00 0.30 -0.04 -0.60 2.10 -1.85 -3.34 116.57 114.14 1iku h LYS 180 Ca -0.49 -0.51 0.01 0.00 -2.00 0.00 0.00 60.65 57.66 1iku h LYS 180 Cb 1.25 0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 32.76 1iku h LYS 180 CO 0.57 1.23 -0.12 0.93 -2.00 0.00 0.00 179.45 180.05 1iku h GLU 181 N 0.08 -0.11 -0.95 0.07 5.08 -1.93 0.68 114.58 117.50 1iku h GLU 181 Ca -0.39 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.22 1iku h GLU 181 Cb 2.05 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 31.16 1iku h GLU 181 CO 0.12 -0.08 0.02 0.82 -1.00 0.00 0.00 179.01 178.89 1iku h ILE 182 N -0.12 0.08 0.49 3.13 2.04 -1.90 0.11 117.51 121.34 1iku h ILE 182 Ca 0.01 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1iku h ILE 182 Cb 0.14 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1iku h ILE 182 CO -0.10 0.01 -0.44 0.25 0.00 0.00 0.00 178.15 177.86 1iku h LEU 183 N 0.03 -1.20 -0.98 1.44 5.85 -1.31 0.49 115.31 119.64 1iku h LEU 183 Ca 0.56 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.37 1iku h LEU 183 Cb 1.11 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.53 1iku h LEU 183 CO -0.88 -0.60 0.60 0.03 -0.34 0.00 0.00 178.44 177.25 1iku h ARG 184 N -0.92 0.00 0.00 1.25 3.08 0.14 1.07 114.38 119.01 1iku h ARG 184 Ca -0.06 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.68 1iku h ARG 184 Cb 0.78 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.78 1iku h ARG 184 CO -0.03 0.00 -2.17 1.28 -1.07 0.00 0.00 179.97 177.98 1iku n LEU 185 N -2.55 0.21 -0.09 3.04 4.77 0.08 -4.66 117.00 117.81 1iku n LEU 185 Ca -0.01 0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 1iku n LEU 185 Cb 0.62 0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 42.04 1iku n LEU 185 CO 0.07 0.41 -0.63 0.00 -1.33 0.00 0.00 177.39 175.90 1iku n ILE 186 N -2.77 1.48 -1.61 -0.08 0.00 0.31 -4.61 119.36 112.08 1iku n ILE 186 Ca -0.26 0.08 -0.40 0.00 0.00 0.00 0.00 62.75 62.17 1iku n ILE 186 Cb 1.07 -2.26 -0.04 0.00 0.00 0.00 0.00 39.64 38.40 1iku n ILE 186 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1iku n GLN 187 N -4.49 1.95 -0.54 9.51 7.27 0.20 -4.70 117.38 126.59 1iku n GLN 187 Ca -0.19 -2.28 0.45 0.00 0.07 0.00 0.00 57.00 55.05 1iku n GLN 187 Cb 0.49 -3.23 0.79 0.00 2.41 0.00 0.00 30.24 30.70 1iku n GLN 187 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 1iku h PHE 188 N 7.93 0.02 0.00 3.69 3.04 -1.81 -3.44 116.94 126.37 1iku h PHE 188 Ca 0.41 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.36 1iku h PHE 188 Cb 0.75 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.25 1iku h PHE 188 CO 1.29 -0.00 0.00 -1.91 -2.02 0.00 0.00 178.31 175.67