#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 -0.45 0.06 1.61 4.13 -1.26 -4.99 115.26 114.36 1iku n ASN 3 Ca 0.00 -2.14 -0.23 0.00 1.68 0.00 0.00 54.58 53.89 1iku n ASN 3 Cb 0.00 0.99 -0.15 0.00 -1.54 0.00 0.00 39.78 39.08 1iku n ASN 3 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1iku h SER 4 N 1.09 0.58 -0.96 6.41 0.87 -2.00 -3.34 113.55 116.20 1iku h SER 4 Ca -0.13 -0.92 0.06 0.00 -1.23 0.00 0.00 61.79 59.57 1iku h SER 4 Cb 0.64 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.35 1iku h SER 4 CO 0.19 1.73 0.62 0.07 -0.53 0.00 0.00 176.83 178.91 1iku h LYS 5 N -0.01 1.09 0.00 2.24 2.10 -1.99 0.17 116.57 120.17 1iku h LYS 5 Ca -0.32 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1iku h LYS 5 Cb 2.01 -0.25 0.00 0.00 -0.90 0.00 0.00 32.23 33.09 1iku h LYS 5 CO 0.16 0.72 0.13 1.03 -2.00 0.00 0.00 179.45 179.49 1iku h SER 6 N 1.12 0.00 0.70 7.07 0.87 -1.98 0.29 113.55 121.62 1iku h SER 6 Ca 0.41 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.81 1iku h SER 6 Cb 0.16 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1iku h SER 6 CO -0.15 0.00 -0.73 1.23 -0.53 0.00 0.00 176.83 176.65 1iku h GLY 7 N 0.00 0.03 0.56 5.77 0.00 -0.83 -3.04 103.07 105.56 1iku h GLY 7 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1iku h GLY 7 CO 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 176.54 176.52 1iku h ALA 8 N 1.26 0.07 -0.81 3.60 0.00 -0.52 -2.93 119.26 119.92 1iku h ALA 8 Ca -0.01 -0.29 0.19 0.00 0.00 0.00 0.00 54.91 54.79 1iku h ALA 8 Cb 1.28 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1iku h ALA 8 CO 0.10 -0.12 0.55 -0.07 0.00 0.00 0.00 179.25 179.71 1iku h LEU 9 N -0.37 0.32 -0.46 0.00 3.38 -1.56 0.10 115.31 116.72 1iku h LEU 9 Ca 0.00 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1iku h LEU 9 Cb 0.60 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1iku h LEU 9 CO 0.01 0.14 0.09 -1.28 0.09 0.00 0.00 178.44 177.50 1iku h SER 10 N 0.33 0.72 0.45 -0.43 0.87 -1.40 -2.30 113.55 111.79 1iku h SER 10 Ca 0.41 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1iku h SER 10 Cb 1.10 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1iku h SER 10 CO -0.12 0.79 -0.21 0.50 -0.53 0.00 0.00 176.83 177.25 1iku h LYS 11 N 0.63 -0.58 -1.23 2.24 3.64 -0.65 0.29 116.57 120.90 1iku h LYS 11 Ca 0.14 0.04 0.41 0.00 -1.27 0.00 0.00 60.65 59.97 1iku h LYS 11 Cb 0.36 0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 32.18 1iku h LYS 11 CO 0.01 -0.39 0.78 0.93 -2.27 0.00 0.00 179.45 178.51 1iku h GLU 12 N -0.66 0.11 0.00 1.90 5.08 -1.44 0.75 114.58 120.33 1iku h GLU 12 Ca -0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1iku h GLU 12 Cb 0.46 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1iku h GLU 12 CO 0.10 0.08 0.00 -0.89 -1.00 0.00 0.00 179.01 177.30 1iku n ILE 13 N -4.79 0.00 0.18 3.13 5.41 -0.86 -2.51 119.36 119.90 1iku n ILE 13 Ca 0.36 0.64 0.05 0.00 1.00 0.00 0.00 62.75 64.80 1iku n ILE 13 Cb 1.34 -1.60 0.28 0.00 -0.71 0.00 0.00 39.64 38.95 1iku n ILE 13 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1iku h LEU 14 N 0.00 0.00 0.03 1.39 3.38 0.12 0.40 115.31 120.63 1iku h LEU 14 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iku h LEU 14 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1iku h LEU 14 CO 0.00 0.00 -0.01 -0.08 0.09 0.00 0.00 178.44 178.44 1iku h GLU 15 N 0.00 -0.04 -1.14 1.13 4.22 0.49 -3.15 114.58 116.09 1iku h GLU 15 Ca 0.00 0.00 0.32 0.00 0.08 0.00 0.00 59.36 59.76 1iku h GLU 15 Cb 0.89 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.06 1iku h GLU 15 CO 0.00 0.64 0.76 0.93 -2.18 0.00 0.00 179.01 179.17 1iku h GLU 16 N -0.91 0.22 -0.19 1.92 5.08 0.11 1.08 114.58 121.88 1iku h GLU 16 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1iku h GLU 16 Cb 0.70 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1iku h GLU 16 CO 0.01 0.15 0.00 -0.11 -1.00 0.00 0.00 179.01 178.05 1iku n LEU 17 N -4.50 0.19 0.00 1.33 0.00 -1.11 -4.68 117.00 108.23 1iku n LEU 17 Ca 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 56.01 56.19 1iku n LEU 17 Cb 1.09 -0.10 0.00 0.00 0.00 0.00 0.00 43.42 44.42 1iku n LEU 17 CO 0.29 0.05 0.00 1.67 0.00 0.00 0.00 177.39 179.40 1iku n GLN 18 N 0.01 0.00 -1.60 1.96 7.27 0.37 -4.82 117.38 120.58 1iku n GLN 18 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.76 1iku n GLN 18 Cb 0.05 -2.41 -0.05 0.00 2.41 0.00 0.00 30.24 30.24 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 7.09 -4.56 1.69 4.77 -1.17 -4.91 117.00 119.91 1iku n LEU 19 Ca 0.00 -4.28 -0.23 0.00 -0.03 0.00 0.00 56.01 51.47 1iku n LEU 19 Cb 0.00 -1.33 -0.05 0.00 -2.33 0.00 0.00 43.42 39.71 1iku n LEU 19 CO 0.00 1.88 1.54 0.21 -1.33 0.00 0.00 177.39 179.69 1iku s ASN 20 N 0.71 4.13 -0.67 -1.43 3.84 -1.25 -4.34 114.94 115.92 1iku s ASN 20 Ca 0.59 0.45 -0.27 0.00 0.21 0.00 0.00 52.86 53.84 1iku s ASN 20 Cb 0.29 -2.53 0.02 0.00 -0.55 0.00 0.00 41.25 38.48 1iku s ASN 20 CO -0.14 -3.46 1.32 0.28 -2.79 0.00 0.00 177.10 172.31 1iku s THR 21 N 13.68 3.77 0.54 -5.21 -1.32 -1.26 -4.84 115.64 121.00 1iku s THR 21 Ca 0.94 0.55 0.43 0.00 -1.21 0.00 0.00 61.69 62.40 1iku s THR 21 Cb -0.14 -4.73 0.65 0.00 -1.51 0.00 0.00 72.50 66.76 1iku s THR 21 CO 0.15 -1.57 1.66 0.50 -2.21 0.00 0.00 174.62 173.15 1iku h LYS 22 N 10.42 0.02 -6.51 7.08 3.11 -1.89 -3.41 116.57 125.38 1iku h LYS 22 Ca -0.27 -0.00 -0.59 0.00 -2.81 0.00 0.00 60.65 56.98 1iku h LYS 22 Cb 1.07 -0.00 0.13 0.00 -1.00 0.00 0.00 32.23 32.43 1iku h LYS 22 CO 1.24 0.01 -0.05 1.19 -2.81 0.00 0.00 179.45 179.03 1iku n PHE 23 N -4.12 0.57 -1.29 1.91 3.01 -1.26 -4.97 117.46 111.32 1iku n PHE 23 Ca 0.37 0.59 -0.07 0.00 1.01 0.00 0.00 57.45 59.36 1iku n PHE 23 Cb 1.68 -2.14 0.05 0.00 -0.01 0.00 0.00 39.48 39.05 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 -0.58 0.00 -0.05 4.37 5.66 -1.26 -5.01 114.28 117.40 1iku n THR 24 Ca 0.11 -0.23 -0.20 0.00 -3.05 0.00 0.00 64.05 60.68 1iku n THR 24 Cb 0.38 -1.85 -0.13 0.00 -1.55 0.00 0.00 70.33 67.19 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 0.00 0.10 -1.15 1.09 4.11 -1.93 -3.33 114.58 113.47 1iku h GLU 25 Ca -0.10 -0.18 0.36 0.00 0.07 0.00 0.00 59.36 59.51 1iku h GLU 25 Cb 0.27 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.46 1iku h GLU 25 CO 0.07 1.08 0.72 0.93 0.07 0.00 0.00 179.01 181.89 1iku h GLU 26 N -0.71 0.23 0.53 1.06 5.08 -1.90 -0.01 114.58 118.85 1iku h GLU 26 Ca -0.24 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1iku h GLU 26 Cb 1.42 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.62 1iku h GLU 26 CO -0.04 0.15 -0.26 0.93 -1.00 0.00 0.00 179.01 178.79 1iku h GLU 27 N 0.23 -0.69 -1.02 2.33 3.07 -1.97 -2.35 114.58 114.19 1iku h GLU 27 Ca 0.73 0.05 0.29 0.00 -0.50 0.00 0.00 59.36 59.93 1iku h GLU 27 Cb 2.03 0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 30.06 1iku h GLU 27 CO -0.43 -0.46 0.73 -0.07 -1.40 0.00 0.00 179.01 177.38 1iku h LEU 28 N -0.80 0.01 0.12 1.33 3.38 -1.25 0.33 115.31 118.43 1iku h LEU 28 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1iku h LEU 28 Cb 0.55 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1iku h LEU 28 CO 0.12 0.00 -0.06 -1.28 0.09 0.00 0.00 178.44 177.31 1iku h SER 29 N 0.01 -0.14 -0.51 -0.43 0.87 -0.74 0.20 113.55 112.81 1iku h SER 29 Ca 0.49 -0.17 -0.10 0.00 -1.23 0.00 0.00 61.79 60.77 1iku h SER 29 Cb 1.94 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.92 1iku h SER 29 CO -0.01 0.09 -0.08 0.28 -0.53 0.00 0.00 176.83 176.58 1iku h SER 30 N -0.37 0.96 0.27 6.23 0.02 -0.48 -2.87 113.55 117.32 1iku h SER 30 Ca -0.02 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 1iku h SER 30 Cb 0.30 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1iku h SER 30 CO 0.03 1.08 -0.13 -0.25 -1.14 0.00 0.00 176.83 176.42 1iku h TRP 31 N 0.83 -0.34 -0.08 3.45 7.01 -1.04 -2.18 115.95 123.60 1iku h TRP 31 Ca 0.14 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.14 1iku h TRP 31 Cb 0.64 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.78 1iku h TRP 31 CO 0.05 -0.08 -0.21 -0.92 -2.79 0.00 0.00 178.44 174.50 1iku h TYR 32 N -0.56 -0.62 -0.19 2.65 3.20 -0.59 0.97 116.97 121.82 1iku h TYR 32 Ca -0.04 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.91 1iku h TYR 32 Cb 0.41 0.28 -0.07 0.00 1.54 0.00 0.00 36.73 38.89 1iku h TYR 32 CO -0.01 -0.20 -0.29 1.96 -1.64 0.00 0.00 178.16 177.98 1iku h GLN 33 N -0.20 -0.32 0.00 1.82 4.20 -1.58 0.14 115.11 119.17 1iku h GLN 33 Ca 0.02 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1iku h GLN 33 Cb 0.25 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1iku h GLN 33 CO -0.18 -0.21 -0.01 0.66 -0.67 0.00 0.00 178.83 178.42 1iku h SER 34 N -0.33 0.00 -0.01 1.46 4.64 -1.03 0.46 113.55 118.74 1iku h SER 34 Ca 0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1iku h SER 34 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1iku h SER 34 CO -0.38 0.01 -0.05 0.15 -0.87 0.00 0.00 176.83 175.69 1iku h PHE 35 N 0.00 0.06 0.00 4.77 3.57 0.35 -2.84 116.94 122.85 1iku h PHE 35 Ca -0.00 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1iku h PHE 35 Cb 0.02 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1iku h PHE 35 CO 0.00 0.73 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.74 1iku h LEU 36 N -0.62 0.00 -0.16 0.59 3.38 -0.63 -2.48 115.31 115.39 1iku h LEU 36 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1iku h LEU 36 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1iku h LEU 36 CO 0.01 0.00 -0.13 0.11 0.09 0.00 0.00 178.44 178.52 1iku h LYS 37 N 0.00 0.37 0.00 1.13 1.79 -0.10 -2.91 116.57 116.86 1iku h LYS 37 Ca -0.00 -0.19 -0.05 0.00 -2.18 0.00 0.00 60.65 58.23 1iku h LYS 37 Cb 0.87 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 1iku h LYS 37 CO 0.00 0.73 -0.25 0.93 -1.08 0.00 0.00 179.45 179.77 1iku h GLU 38 N 0.03 0.00 -3.07 3.15 5.08 -1.50 -3.35 114.58 114.91 1iku h GLU 38 Ca 0.03 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.77 1iku h GLU 38 Cb 0.64 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.47 1iku h GLU 38 CO 0.03 0.25 -0.58 0.00 -1.00 0.00 0.00 179.01 177.72 1iku h PRO 40 N 5.39 -0.33 0.00 0.00 0.11 -1.68 -1.73 132.00 133.77 1iku h PRO 40 Ca 0.15 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1iku h PRO 40 Cb 0.76 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1iku h PRO 40 CO 0.71 -0.15 0.55 0.77 -0.21 0.00 0.00 178.00 179.67 1iku h SER 41 N -0.43 0.00 0.00 -2.05 0.02 -1.92 -3.42 113.55 105.75 1iku h SER 41 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1iku h SER 41 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1iku h SER 41 CO 0.06 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.36 1iku n GLY 42 N -1.29 0.09 3.44 -3.77 0.00 -0.65 -4.88 105.19 98.13 1iku n GLY 42 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.11 3.23 0.28 1.61 0.52 -1.26 -2.24 118.95 119.98 1iku s ARG 43 Ca 0.00 -1.17 -0.05 0.00 -0.52 0.00 0.00 55.73 53.99 1iku s ARG 43 Cb 0.00 -4.42 -0.05 0.00 0.52 0.00 0.00 34.95 30.99 1iku s ARG 43 CO 0.00 -1.76 0.55 0.96 0.02 0.00 0.00 175.30 175.07 1iku s ILE 44 N 3.46 5.02 0.56 1.52 -4.36 0.21 -4.63 121.20 122.98 1iku s ILE 44 Ca 0.23 0.07 0.02 0.00 -0.26 0.00 0.00 60.65 60.72 1iku s ILE 44 Cb -0.15 -3.72 0.04 0.00 1.25 0.00 0.00 42.46 39.88 1iku s ILE 44 CO 0.04 -0.30 0.78 0.42 0.24 0.00 0.00 174.94 176.12 1iku s THR 45 N -2.06 2.62 0.02 8.37 -4.23 -1.26 -0.93 115.64 118.16 1iku s THR 45 Ca 0.44 -0.70 -0.28 0.00 -1.18 0.00 0.00 61.69 59.97 1iku s THR 45 Cb -0.11 -2.92 -0.16 0.00 1.34 0.00 0.00 72.50 70.66 1iku s THR 45 CO 0.29 0.00 1.19 0.03 -0.54 0.00 0.00 174.62 175.59 1iku h ARG 46 N 0.06 -0.86 -0.90 3.99 3.08 -1.89 -0.90 114.38 116.97 1iku h ARG 46 Ca -0.41 0.06 0.26 0.00 0.07 0.00 0.00 59.98 59.96 1iku h ARG 46 Cb 1.29 0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.50 1iku h ARG 46 CO 0.50 -0.54 1.11 -0.56 -1.07 0.00 0.00 179.97 179.41 1iku h GLN 47 N -1.15 0.00 0.00 0.04 3.07 -1.96 0.27 115.11 115.38 1iku h GLN 47 Ca -0.09 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.46 1iku h GLN 47 Cb 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.24 1iku h GLN 47 CO 0.15 0.00 -1.15 0.39 0.09 0.00 0.00 178.83 178.31 1iku n GLU 48 N -3.25 0.54 -0.16 0.06 -0.58 -1.04 -3.81 120.64 112.40 1iku n GLU 48 Ca 0.20 0.56 -0.03 0.00 -0.42 0.00 0.00 57.16 57.46 1iku n GLU 48 Cb 1.39 -1.73 0.06 0.00 -0.57 0.00 0.00 31.44 30.59 1iku n GLU 48 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1iku h PHE 49 N -1.00 0.38 -0.90 -0.32 3.57 0.81 -0.24 116.94 119.25 1iku h PHE 49 Ca -0.29 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.41 1iku h PHE 49 Cb 1.15 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.73 1iku h PHE 49 CO 0.02 0.15 0.58 0.37 -2.23 0.00 0.00 178.31 177.21 1iku h GLN 50 N 0.41 0.55 0.00 1.11 5.75 -0.90 0.35 115.11 122.38 1iku h GLN 50 Ca 0.24 -0.03 -0.16 0.00 -0.15 0.00 0.00 58.65 58.55 1iku h GLN 50 Cb 0.22 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1iku h GLN 50 CO -0.21 0.37 -0.76 1.15 -2.65 0.00 0.00 178.83 176.72 1iku h THR 51 N 0.57 1.47 0.00 2.39 2.02 -1.20 -2.53 112.91 115.63 1iku h THR 51 Ca 0.47 -2.66 -0.18 0.00 0.77 0.00 0.00 66.41 64.80 1iku h THR 51 Cb 0.93 2.47 -0.03 0.00 -1.74 0.00 0.00 68.15 69.78 1iku h THR 51 CO -0.21 0.74 -0.86 0.40 0.37 0.00 0.00 175.52 175.97 1iku h ILE 52 N 0.00 1.44 0.09 3.11 2.04 0.65 -1.98 117.51 122.86 1iku h ILE 52 Ca -0.01 -3.04 -0.26 0.00 1.00 0.00 0.00 64.86 62.56 1iku h ILE 52 Cb 1.41 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 40.20 1iku h ILE 52 CO 0.10 0.82 -1.15 0.22 0.00 0.00 0.00 178.15 178.14 1iku h TYR 53 N 0.00 0.47 0.00 1.37 3.20 -0.46 -2.54 116.97 119.01 1iku h TYR 53 Ca -0.01 -0.32 -0.11 0.00 3.14 0.00 0.00 58.73 61.42 1iku h TYR 53 Cb 1.65 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.88 1iku h TYR 53 CO 0.00 1.22 -0.77 0.77 -1.64 0.00 0.00 178.16 177.74 1iku h SER 54 N 0.10 0.00 0.69 -2.11 0.02 -1.52 -2.39 113.55 108.34 1iku h SER 54 Ca -0.11 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.60 1iku h SER 54 Cb 1.86 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.39 1iku h SER 54 CO 0.19 0.48 -1.07 0.50 -1.14 0.00 0.00 176.83 175.80 1iku h LYS 55 N 0.00 0.19 0.18 3.45 3.64 -1.40 -3.34 116.57 119.29 1iku h LYS 55 Ca -0.05 -0.28 -0.32 0.00 -1.27 0.00 0.00 60.65 58.73 1iku h LYS 55 Cb 1.41 0.10 0.01 0.00 -0.41 0.00 0.00 32.23 33.34 1iku h LYS 55 CO 0.05 1.09 -1.55 0.74 -2.27 0.00 0.00 179.45 177.51 1iku h PHE 56 N 0.07 0.70 -3.60 1.91 -1.00 -1.53 -3.43 116.94 110.06 1iku h PHE 56 Ca -0.08 -0.51 -0.70 0.00 2.81 0.00 0.00 57.97 59.49 1iku h PHE 56 Cb 1.77 -0.03 -0.28 0.00 3.61 0.00 0.00 35.95 41.03 1iku h PHE 56 CO 0.04 1.60 -0.55 -0.06 -1.61 0.00 0.00 178.31 177.73 1iku s PHE 57 N -2.55 3.28 0.00 -0.55 0.08 -0.90 -4.55 117.98 112.79 1iku s PHE 57 Ca -0.15 -1.36 0.00 0.00 0.12 0.00 0.00 56.93 55.54 1iku s PHE 57 Cb 0.04 -2.50 0.00 0.00 -0.57 0.00 0.00 43.02 39.99 1iku s PHE 57 CO 0.85 -0.74 0.04 -0.35 -0.10 0.00 0.00 175.22 174.92 1iku n PRO 58 N 4.88 0.00 0.00 0.24 -0.04 -1.26 -3.71 135.00 135.10 1iku n PRO 58 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1iku n PRO 58 Cb 0.44 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.56 1iku n PRO 58 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1iku n GLU 59 N -0.08 0.00 -1.18 0.54 -0.00 -1.26 -4.57 120.64 114.09 1iku n GLU 59 Ca 0.00 0.02 -0.22 0.00 -0.00 0.00 0.00 57.16 56.96 1iku n GLU 59 Cb 0.00 -1.52 0.17 0.00 -0.00 0.00 0.00 31.44 30.09 1iku n GLU 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1iku n ALA 60 N -0.81 -1.69 -3.21 -1.84 0.00 -1.24 -5.09 120.51 106.62 1iku n ALA 60 Ca 0.00 -1.27 -0.13 0.00 0.00 0.00 0.00 53.44 52.04 1iku n ALA 60 Cb 0.02 -0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.29 1iku n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1iku s ASP 61 N -4.29 -0.27 0.00 0.00 1.11 -1.26 -5.00 116.67 106.96 1iku s ASP 61 Ca 0.55 0.44 0.00 0.00 0.18 0.00 0.00 52.55 53.73 1iku s ASP 61 Cb -0.03 0.53 0.00 0.00 1.07 0.00 0.00 42.92 44.49 1iku s ASP 61 CO 0.40 -0.22 0.08 -0.81 1.18 0.00 0.00 175.17 175.81 1iku n PRO 62 N 2.38 0.13 -0.67 8.23 -0.04 -1.26 -1.47 135.00 142.30 1iku n PRO 62 Ca -0.16 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.30 1iku n PRO 62 Cb 0.57 -1.05 -0.01 0.00 -0.04 0.00 0.00 33.50 32.97 1iku n PRO 62 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1iku n LYS 63 N 0.21 0.00 0.00 0.54 4.76 -1.26 -4.76 118.16 117.65 1iku n LYS 63 Ca 0.00 -0.66 0.00 0.00 -2.87 0.00 0.00 58.31 54.78 1iku n LYS 63 Cb 0.03 -0.09 0.00 0.00 -1.84 0.00 0.00 35.03 33.13 1iku n LYS 63 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iku n ALA 64 N 0.05 0.00 -0.11 7.82 0.00 -0.54 -4.77 120.51 122.96 1iku n ALA 64 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1iku n ALA 64 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1iku n ALA 64 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1iku n TYR 65 N 0.00 0.00 0.05 0.00 9.36 -1.26 -4.20 117.16 121.11 1iku n TYR 65 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 1iku n TYR 65 Cb 0.00 -0.17 0.07 0.00 -0.63 0.00 0.00 39.34 38.60 1iku n TYR 65 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1iku n ALA 66 N -2.18 0.36 0.07 2.98 0.00 -1.26 -0.93 120.51 119.56 1iku n ALA 66 Ca 0.00 0.02 0.21 0.00 0.00 0.00 0.00 53.44 53.67 1iku n ALA 66 Cb 0.00 -0.39 0.74 0.00 0.00 0.00 0.00 19.45 19.80 1iku n ALA 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1iku h GLN 67 N 0.00 0.00 0.05 0.00 -0.00 -1.86 -0.16 115.11 113.13 1iku h GLN 67 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.33 1iku h GLN 67 Cb 0.74 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.18 1iku h GLN 67 CO 0.00 0.00 -1.80 1.58 -0.00 0.00 0.00 178.83 178.61 1iku n HIS 68 N -3.90 1.12 0.04 0.06 -0.00 -0.10 -3.19 115.22 109.24 1iku n HIS 68 Ca 0.08 0.33 -0.13 0.00 0.46 0.00 0.00 57.72 58.47 1iku n HIS 68 Cb 0.60 -1.18 -0.09 0.00 -0.12 0.00 0.00 29.99 29.20 1iku n HIS 68 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1iku h VAL 69 N 0.03 1.13 -0.47 3.57 2.07 -1.26 0.24 116.25 121.56 1iku h VAL 69 Ca -0.33 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.21 1iku h VAL 69 Cb 2.02 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 33.48 1iku h VAL 69 CO 0.09 0.22 0.08 0.15 0.02 0.00 0.00 177.57 178.13 1iku h PHE 70 N -0.56 0.74 0.07 1.57 3.57 -1.33 -2.12 116.94 118.88 1iku h PHE 70 Ca -0.01 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1iku h PHE 70 Cb 0.46 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1iku h PHE 70 CO 0.06 0.65 -0.03 -0.09 -2.23 0.00 0.00 178.31 176.68 1iku h ARG 71 N 0.69 -0.09 -0.95 1.11 2.43 -1.52 -3.25 114.38 112.81 1iku h ARG 71 Ca 0.15 0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.51 1iku h ARG 71 Cb 0.31 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 29.77 1iku h ARG 71 CO 0.00 0.47 0.54 1.03 -1.51 0.00 0.00 179.97 180.50 1iku h SER 72 N -0.76 0.66 -0.65 -3.80 0.87 -0.46 -0.24 113.55 109.18 1iku h SER 72 Ca -0.01 0.10 0.14 0.00 -1.23 0.00 0.00 61.79 60.79 1iku h SER 72 Cb 0.60 -0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 62.45 1iku h SER 72 CO 0.02 0.23 0.07 -0.26 -0.53 0.00 0.00 176.83 176.35 1iku h PHE 73 N 0.68 0.09 -2.94 2.24 -1.00 -1.41 -3.47 116.94 111.13 1iku h PHE 73 Ca 0.55 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.37 1iku h PHE 73 Cb 0.85 0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.48 1iku h PHE 73 CO -0.04 -0.13 -0.61 -3.47 -1.61 0.00 0.00 178.31 172.45 1iku n ASP 74 N -5.22 -6.56 0.14 2.17 -0.08 -0.10 -4.80 116.55 102.09 1iku n ASP 74 Ca 0.11 0.87 0.00 0.00 -1.51 0.00 0.00 54.79 54.26 1iku n ASP 74 Cb 0.38 -3.32 0.30 0.00 2.34 0.00 0.00 41.12 40.83 1iku n ASP 74 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iku h ALA 75 N 2.45 1.26 -0.41 -1.67 0.00 -1.87 -3.45 119.26 115.56 1iku h ALA 75 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1iku h ALA 75 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1iku h ALA 75 CO 0.00 0.52 -0.08 -1.71 0.00 0.00 0.00 179.25 177.98 1iku n ASN 76 N -4.07 -3.88 0.00 0.00 2.85 -1.26 -4.61 115.26 104.28 1iku n ASN 76 Ca -0.02 0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.56 1iku n ASN 76 Cb 0.43 -2.77 0.00 0.00 1.24 0.00 0.00 39.78 38.68 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 0.06 0.00 0.00 1.20 2.88 -1.26 -5.05 113.62 111.45 1iku n SER 77 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1iku n SER 77 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1iku n SER 77 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1iku n ASP 78 N 0.00 0.00 -0.76 -3.46 8.00 -1.26 -2.42 116.55 116.64 1iku n ASP 78 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 1iku n ASP 78 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1iku n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iku n GLY 79 N 0.00 -0.19 4.00 0.44 0.00 -1.26 -4.98 105.19 103.19 1iku n GLY 79 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 1iku n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 80 N 0.00 3.17 -0.14 2.61 -4.23 -1.02 -2.58 115.64 113.45 1iku s THR 80 Ca 0.00 -0.91 -0.30 0.00 -1.18 0.00 0.00 61.69 59.30 1iku s THR 80 Cb 0.01 -3.09 0.13 0.00 1.34 0.00 0.00 72.50 70.89 1iku s THR 80 CO -0.00 -0.04 1.03 -1.48 -0.54 0.00 0.00 174.62 173.58 1iku s LEU 81 N -4.41 -0.31 0.21 4.79 2.34 -0.11 -4.27 118.68 116.92 1iku s LEU 81 Ca 0.53 0.22 -0.30 0.00 0.06 0.00 0.00 54.13 54.64 1iku s LEU 81 Cb -0.10 1.77 -0.08 0.00 -0.56 0.00 0.00 46.19 47.22 1iku s LEU 81 CO 0.34 -0.37 1.10 -1.81 -1.06 0.00 0.00 176.35 174.55 1iku s ASP 82 N -1.59 7.27 -0.17 1.48 1.11 -1.26 -0.62 116.67 122.90 1iku s ASP 82 Ca 0.02 2.15 -0.13 0.00 0.18 0.00 0.00 52.55 54.77 1iku s ASP 82 Cb -0.01 -2.61 -0.08 0.00 1.07 0.00 0.00 42.92 41.29 1iku s ASP 82 CO -0.03 -0.19 -0.10 0.33 1.18 0.00 0.00 175.17 176.36 1iku n PHE 83 N 1.97 0.84 -0.33 4.23 7.35 -0.95 -3.38 117.46 127.19 1iku n PHE 83 Ca 0.01 0.36 0.14 0.00 -0.76 0.00 0.00 57.45 57.21 1iku n PHE 83 Cb 0.46 -0.84 0.29 0.00 0.35 0.00 0.00 39.48 39.73 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 0.04 -0.31 -4.13 1.57 -1.94 1.00 116.57 111.80 1iku h LYS 84 Ca -0.12 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.50 1iku h LYS 84 Cb 0.80 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1iku h LYS 84 CO -0.07 0.03 -0.44 0.93 -0.57 0.00 0.00 179.45 179.33 1iku h GLU 85 N 0.04 0.79 0.00 3.15 3.07 -1.97 -2.49 114.58 117.18 1iku h GLU 85 Ca 0.58 -0.44 -0.02 0.00 -0.50 0.00 0.00 59.36 58.98 1iku h GLU 85 Cb 1.21 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1iku h GLU 85 CO -0.86 1.07 -0.11 -0.92 -1.40 0.00 0.00 179.01 176.80 1iku h TYR 86 N 0.64 0.00 0.17 4.33 3.20 0.85 -2.26 116.97 123.90 1iku h TYR 86 Ca 0.04 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1iku h TYR 86 Cb 1.01 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1iku h TYR 86 CO 0.06 0.11 -0.08 0.28 -1.64 0.00 0.00 178.16 176.88 1iku h VAL 87 N 0.00 0.43 -0.16 1.81 2.07 -0.27 -2.47 116.25 117.66 1iku h VAL 87 Ca -0.00 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.51 1iku h VAL 87 Cb 0.23 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1iku h VAL 87 CO 0.01 0.12 -0.48 0.40 0.02 0.00 0.00 177.57 177.64 1iku h ILE 88 N -1.00 0.07 -0.83 4.57 2.04 -1.34 0.47 117.51 121.49 1iku h ILE 88 Ca -0.02 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.99 1iku h ILE 88 Cb 0.38 0.07 -0.10 0.00 -0.74 0.00 0.00 36.82 36.43 1iku h ILE 88 CO 0.04 0.00 0.40 0.00 0.00 0.00 0.00 178.15 178.59 1iku h ALA 89 N -0.05 1.24 0.21 1.87 0.00 -1.54 -2.42 119.26 118.56 1iku h ALA 89 Ca 0.06 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1iku h ALA 89 Cb 0.65 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1iku h ALA 89 CO -0.44 -0.14 -0.23 -0.07 0.00 0.00 0.00 179.25 178.37 1iku h LEU 90 N 0.56 -0.64 -0.45 0.00 3.38 -0.47 -3.15 115.31 114.53 1iku h LEU 90 Ca 0.46 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.52 1iku h LEU 90 Cb 0.69 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 1iku h LEU 90 CO -0.39 -0.30 -0.26 1.41 0.09 0.00 0.00 178.44 178.99 1iku n HIS 91 N -3.74 -0.20 -0.22 1.13 8.25 -0.33 -4.43 115.22 115.69 1iku n HIS 91 Ca -0.05 0.56 -0.22 0.00 -0.26 0.00 0.00 57.72 57.75 1iku n HIS 91 Cb 0.21 -0.53 0.21 0.00 1.12 0.00 0.00 29.99 30.99 1iku n HIS 91 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1iku n MET 92 N -4.01 -3.95 -4.14 -0.41 2.81 -0.95 -3.66 117.12 102.82 1iku n MET 92 Ca 0.01 -1.05 -0.32 0.00 -1.81 0.00 0.00 57.70 54.53 1iku n MET 92 Cb 0.12 -1.33 -0.08 0.00 -0.71 0.00 0.00 33.22 31.21 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 -4.95 -0.50 -0.08 2.03 5.66 -1.17 -4.65 114.28 110.61 1iku n THR 93 Ca 0.10 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1iku n THR 93 Cb 0.43 -0.69 0.00 0.00 -1.55 0.00 0.00 70.33 68.51 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 -2.33 0.00 -3.54 1.09 3.41 -1.24 -4.99 113.62 106.03 1iku n SER 94 Ca -0.12 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.45 1iku n SER 94 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1iku n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iku s ALA 95 N 0.00 -1.48 0.18 7.33 0.00 -1.26 -4.62 121.76 121.91 1iku s ALA 95 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1iku s ALA 95 Cb 0.00 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1iku s ALA 95 CO 0.00 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.13 1iku n GLY 96 N -0.55 1.34 2.87 0.00 0.00 -1.26 -4.93 105.19 102.67 1iku n GLY 96 Ca -0.05 -1.57 -0.00 0.00 0.00 0.00 0.00 46.02 44.39 1iku n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iku n LYS 97 N 0.00 -2.51 0.13 1.61 4.01 -1.26 -4.80 118.16 115.34 1iku n LYS 97 Ca 0.00 2.17 -0.06 0.00 -0.51 0.00 0.00 58.31 59.90 1iku n LYS 97 Cb 0.00 -3.84 -0.03 0.00 -0.51 0.00 0.00 35.03 30.65 1iku n LYS 97 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1iku h THR 98 N 3.38 0.00 -0.06 -0.18 2.02 -2.00 -3.19 112.91 112.88 1iku h THR 98 Ca -0.04 -0.61 0.02 0.00 0.77 0.00 0.00 66.41 66.55 1iku h THR 98 Cb 0.41 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1iku h THR 98 CO 0.06 0.00 1.01 -0.46 0.37 0.00 0.00 175.52 176.50 1iku n ASN 99 N -4.81 0.00 -0.02 4.18 6.94 -1.26 0.15 115.26 120.44 1iku n ASN 99 Ca -0.05 0.51 -0.12 0.00 -0.02 0.00 0.00 54.58 54.90 1iku n ASN 99 Cb 0.16 -0.01 -0.14 0.00 -2.36 0.00 0.00 39.78 37.43 1iku n ASN 99 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iku n GLN 100 N -2.53 0.66 0.08 -3.83 6.02 -1.22 -3.94 117.38 112.62 1iku n GLN 100 Ca 0.01 0.28 -0.16 0.00 -0.01 0.00 0.00 57.00 57.12 1iku n GLN 100 Cb 1.02 -1.77 -0.14 0.00 1.02 0.00 0.00 30.24 30.38 1iku n GLN 100 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1iku h LYS 101 N 0.02 0.25 0.66 -1.09 1.57 0.13 -3.34 116.57 114.77 1iku h LYS 101 Ca -0.32 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 57.99 1iku h LYS 101 Cb 2.02 0.16 0.01 0.00 0.08 0.00 0.00 32.23 34.50 1iku h LYS 101 CO 0.08 1.14 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.71 1iku h LEU 102 N 0.07 -0.75 -1.62 2.94 3.38 -1.50 -2.48 115.31 115.35 1iku h LEU 102 Ca -0.20 0.03 0.49 0.00 0.09 0.00 0.00 57.88 58.28 1iku h LEU 102 Cb 2.00 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 42.83 1iku h LEU 102 CO 0.18 -0.51 1.05 -0.33 0.09 0.00 0.00 178.44 178.92 1iku h GLU 103 N -0.93 0.03 -0.15 1.13 5.08 -1.74 1.02 114.58 119.00 1iku h GLU 103 Ca -0.09 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1iku h GLU 103 Cb 0.68 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1iku h GLU 103 CO 0.15 0.02 -0.14 2.35 -1.00 0.00 0.00 179.01 180.38 1iku h TRP 104 N 0.03 0.43 -0.11 4.33 7.01 -1.59 -0.64 115.95 125.41 1iku h TRP 104 Ca 0.87 -0.13 -0.02 0.00 2.11 0.00 0.00 58.89 61.73 1iku h TRP 104 Cb 3.05 -0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 30.02 1iku h TRP 104 CO -0.00 0.74 -0.00 0.00 -2.79 0.00 0.00 178.44 176.39 1iku h ALA 105 N 0.62 0.16 -0.85 2.65 0.00 0.14 0.10 119.26 122.07 1iku h ALA 105 Ca 0.02 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1iku h ALA 105 Cb 0.67 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1iku h ALA 105 CO 0.04 -0.15 0.55 0.35 0.00 0.00 0.00 179.25 180.04 1iku h PHE 106 N -0.07 0.93 -0.31 0.00 3.04 -0.81 -1.20 116.94 118.52 1iku h PHE 106 Ca 0.03 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.85 1iku h PHE 106 Cb 0.36 -0.31 -0.00 0.00 2.56 0.00 0.00 35.95 38.57 1iku h PHE 106 CO 0.03 0.47 -0.41 0.77 -2.02 0.00 0.00 178.31 177.16 1iku h SER 107 N 0.90 0.90 -0.75 0.41 0.02 -0.81 0.33 113.55 114.55 1iku h SER 107 Ca 0.37 -0.50 0.20 0.00 -0.84 0.00 0.00 61.79 61.03 1iku h SER 107 Cb 0.28 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1iku h SER 107 CO -0.14 1.21 0.53 0.25 -1.14 0.00 0.00 176.83 177.54 1iku h LEU 108 N 0.60 0.07 0.00 5.07 5.85 0.42 -0.42 115.31 126.90 1iku h LEU 108 Ca 0.04 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 1iku h LEU 108 Cb 1.00 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1iku h LEU 108 CO 0.10 0.03 -2.07 -1.22 -0.34 0.00 0.00 178.44 174.94 1iku n TYR 109 N -4.35 0.05 -1.61 1.25 4.01 -0.94 -4.49 117.16 111.08 1iku n TYR 109 Ca 0.15 0.02 -0.29 0.00 -0.16 0.00 0.00 57.90 57.62 1iku n TYR 109 Cb 0.77 -0.67 -0.08 0.00 -0.31 0.00 0.00 39.34 39.04 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 -2.43 2.27 0.00 7.72 -0.08 0.11 -4.75 116.55 119.39 1iku n ASP 110 Ca -0.12 -2.62 0.00 0.00 -1.51 0.00 0.00 54.79 50.54 1iku n ASP 110 Cb 0.75 -1.50 0.00 0.00 2.34 0.00 0.00 41.12 42.71 1iku n ASP 110 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1iku n VAL 111 N 7.79 0.00 -1.37 5.18 0.24 -1.26 -4.87 118.33 124.04 1iku n VAL 111 Ca 0.45 0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.98 1iku n VAL 111 Cb 0.45 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 1iku n VAL 111 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1iku n ASP 112 N 0.00 0.00 -0.19 -1.34 5.75 -1.26 -4.96 116.55 114.54 1iku n ASP 112 Ca 0.00 -0.68 -0.05 0.00 -0.01 0.00 0.00 54.79 54.04 1iku n ASP 112 Cb 0.00 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.13 1iku n ASP 112 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1iku h GLY 113 N 0.00 0.79 0.00 6.12 0.00 -1.94 -3.45 103.07 104.59 1iku h GLY 113 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1iku h GLY 113 CO 0.00 0.23 0.00 0.70 0.00 0.00 0.00 176.54 177.47 1iku n ASN 114 N -4.75 -3.36 0.00 0.19 3.02 -1.26 -5.06 115.26 104.05 1iku n ASN 114 Ca 0.04 0.79 0.00 0.00 -0.03 0.00 0.00 54.58 55.39 1iku n ASN 114 Cb 0.06 3.21 0.00 0.00 -0.61 0.00 0.00 39.78 42.45 1iku n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iku n GLY 115 N -1.42 0.00 3.41 7.41 0.00 -1.26 -5.11 105.19 108.23 1iku n GLY 115 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.03 0.08 2.61 -4.23 -1.26 -4.14 115.64 108.72 1iku s THR 116 Ca 0.00 -1.50 0.06 0.00 -1.18 0.00 0.00 61.69 59.07 1iku s THR 116 Cb 0.00 -2.09 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 1iku s THR 116 CO 0.00 -0.13 -0.16 -0.51 -0.54 0.00 0.00 174.62 173.28 1iku s ILE 117 N -4.02 1.28 0.43 2.99 2.07 -0.75 -4.85 121.20 118.35 1iku s ILE 117 Ca 0.23 -1.33 0.07 0.00 -1.41 0.00 0.00 60.65 58.20 1iku s ILE 117 Cb 0.02 -1.20 -0.04 0.00 0.13 0.00 0.00 42.46 41.38 1iku s ILE 117 CO 0.06 -0.15 0.21 -0.94 -1.91 0.00 0.00 174.94 172.21 1iku s SER 118 N -1.71 4.49 0.13 4.50 1.04 -1.26 -2.72 113.70 118.17 1iku s SER 118 Ca 0.01 -1.08 -0.32 0.00 0.48 0.00 0.00 55.95 55.03 1iku s SER 118 Cb -0.10 -0.37 -0.10 0.00 0.10 0.00 0.00 66.02 65.56 1iku s SER 118 CO 0.03 -0.62 1.56 0.11 0.98 0.00 0.00 173.24 175.29 1iku h LYS 119 N 1.32 -0.45 -0.79 4.02 1.57 -1.97 -1.43 116.57 118.84 1iku h LYS 119 Ca -0.42 0.03 0.21 0.00 -1.87 0.00 0.00 60.65 58.60 1iku h LYS 119 Cb 1.26 0.10 -0.15 0.00 0.08 0.00 0.00 32.23 33.53 1iku h LYS 119 CO 0.68 -0.30 -0.02 0.09 -0.57 0.00 0.00 179.45 179.33 1iku n ASN 120 N -5.41 -0.12 -0.17 0.86 3.02 -1.26 0.20 115.26 112.38 1iku n ASN 120 Ca -0.04 1.34 -0.09 0.00 -0.03 0.00 0.00 54.58 55.76 1iku n ASN 120 Cb 0.36 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 1iku n ASN 120 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1iku h GLU 121 N 0.00 0.76 -0.84 3.52 4.39 -1.67 -1.67 114.58 119.07 1iku h GLU 121 Ca 0.46 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 1iku h GLU 121 Cb 0.92 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.44 1iku h GLU 121 CO -0.75 0.76 0.50 0.28 -1.16 0.00 0.00 179.01 178.63 1iku h VAL 122 N 0.64 1.23 0.27 3.13 2.07 0.26 -2.59 116.25 121.27 1iku h VAL 122 Ca 0.15 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1iku h VAL 122 Cb 0.34 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1iku h VAL 122 CO 0.00 0.25 -0.15 0.25 0.02 0.00 0.00 177.57 177.94 1iku h LEU 123 N 1.15 -0.36 -0.48 2.57 5.85 -0.41 -1.97 115.31 121.66 1iku h LEU 123 Ca 0.30 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.12 1iku h LEU 123 Cb -0.04 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.00 1iku h LEU 123 CO -0.06 -0.24 -0.38 -0.33 -0.34 0.00 0.00 178.44 177.09 1iku h GLU 124 N -0.39 -0.24 -0.31 1.25 5.08 -1.02 0.18 114.58 119.12 1iku h GLU 124 Ca -0.03 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1iku h GLU 124 Cb 0.31 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 1iku h GLU 124 CO 0.04 -0.16 -0.32 0.82 -1.00 0.00 0.00 179.01 178.39 1iku h ILE 125 N -0.25 0.26 -0.81 3.13 2.04 -1.25 0.13 117.51 120.75 1iku h ILE 125 Ca 0.18 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.16 1iku h ILE 125 Cb 0.56 0.26 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 1iku h ILE 125 CO -0.61 0.00 0.42 0.58 0.00 0.00 0.00 178.15 178.54 1iku h VAL 126 N -0.29 0.79 -0.73 1.67 2.07 -0.30 -0.26 116.25 119.20 1iku h VAL 126 Ca 0.15 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1iku h VAL 126 Cb 0.53 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1iku h VAL 126 CO -0.48 0.12 0.25 0.74 0.02 0.00 0.00 177.57 178.22 1iku h THR 127 N 0.65 1.26 0.58 2.57 2.02 0.13 0.48 112.91 120.60 1iku h THR 127 Ca 0.42 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 1iku h THR 127 Cb 0.52 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1iku h THR 127 CO -0.32 0.34 -0.35 0.00 0.37 0.00 0.00 175.52 175.57 1iku h ALA 128 N 1.18 -0.89 -0.30 6.16 0.00 0.87 0.24 119.26 126.53 1iku h ALA 128 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1iku h ALA 128 Cb 0.27 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1iku h ALA 128 CO -0.01 -1.01 0.20 0.82 0.00 0.00 0.00 179.25 179.24 1iku h ILE 129 N -0.88 1.08 -0.04 0.00 2.04 -1.17 -2.61 117.51 115.94 1iku h ILE 129 Ca -0.07 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.66 1iku h ILE 129 Cb 0.71 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1iku h ILE 129 CO 0.08 0.08 -0.29 0.15 0.00 0.00 0.00 178.15 178.17 1iku h PHE 130 N 0.41 -0.78 -1.13 1.37 3.57 -0.73 0.19 116.94 119.83 1iku h PHE 130 Ca 0.11 0.03 0.33 0.00 3.53 0.00 0.00 57.97 61.97 1iku h PHE 130 Cb -0.04 0.35 -0.11 0.00 2.79 0.00 0.00 35.95 38.94 1iku h PHE 130 CO -0.05 -0.38 0.72 0.87 -2.23 0.00 0.00 178.31 177.24 1iku h LYS 131 N -0.41 0.27 0.02 1.11 1.57 -0.70 0.25 116.57 118.68 1iku h LYS 131 Ca 0.07 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1iku h LYS 131 Cb 0.52 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1iku h LYS 131 CO -0.27 0.18 -0.01 1.98 -0.57 0.00 0.00 179.45 180.75 1iku h MET 132 N 0.28 -0.03 -6.03 3.15 4.05 -0.31 -3.42 114.93 112.62 1iku h MET 132 Ca 0.69 0.00 -0.75 0.00 -0.28 0.00 0.00 59.70 59.36 1iku h MET 132 Cb 1.90 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 32.69 1iku h MET 132 CO -0.38 0.34 1.17 -0.89 0.23 0.00 0.00 176.91 177.38 1iku n ILE 133 N -4.93 0.11 -1.55 1.77 5.41 0.88 -4.77 119.36 116.28 1iku n ILE 133 Ca -0.08 -0.08 -0.47 0.00 1.00 0.00 0.00 62.75 63.12 1iku n ILE 133 Cb 0.20 -0.95 -0.03 0.00 -0.71 0.00 0.00 39.64 38.15 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 7.17 0.87 0.00 4.38 2.88 -1.26 -4.70 113.62 122.97 1iku n SER 134 Ca 0.42 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 59.12 1iku n SER 134 Cb 0.06 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.33 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 1.18 0.00 -0.10 -1.46 -0.01 -1.26 -1.47 135.00 131.88 1iku n PRO 135 Ca 0.13 0.31 -0.20 0.00 -0.01 0.00 0.00 63.50 63.73 1iku n PRO 135 Cb 0.27 -1.64 -0.10 0.00 -0.01 0.00 0.00 33.50 32.02 1iku n PRO 135 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 1iku n GLU 136 N -1.30 0.55 0.00 -0.52 2.13 -1.26 -4.02 120.64 116.22 1iku n GLU 136 Ca 0.00 0.54 0.04 0.00 0.66 0.00 0.00 57.16 58.41 1iku n GLU 136 Cb 0.14 -1.72 0.21 0.00 0.27 0.00 0.00 31.44 30.34 1iku n GLU 136 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1iku n ASP 137 N -4.44 0.00 0.17 4.31 8.00 -0.54 -1.35 116.55 122.70 1iku n ASP 137 Ca -0.31 0.38 0.11 0.00 0.71 0.00 0.00 54.79 55.69 1iku n ASP 137 Cb 0.65 -0.43 0.09 0.00 -0.02 0.00 0.00 41.12 41.41 1iku n ASP 137 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1iku h THR 138 N 0.00 0.02 0.00 -3.53 2.02 -1.59 -3.29 112.91 106.55 1iku h THR 138 Ca 0.00 -1.03 -0.18 0.00 0.77 0.00 0.00 66.41 65.96 1iku h THR 138 Cb 0.13 1.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 1iku h THR 138 CO 0.00 0.01 -0.87 0.50 0.37 0.00 0.00 175.52 175.53 1iku h LYS 139 N 0.00 0.01 0.00 6.66 3.64 -1.36 -3.15 116.57 122.38 1iku h LYS 139 Ca -0.00 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1iku h LYS 139 Cb 1.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1iku h LYS 139 CO 0.00 0.87 -0.37 1.12 -2.27 0.00 0.00 179.45 178.80 1iku h HIS 140 N 0.01 0.00 -2.36 1.91 2.07 -1.65 -3.46 115.15 111.66 1iku h HIS 140 Ca -0.01 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.92 1iku h HIS 140 Cb 1.54 0.00 0.18 0.00 2.57 0.00 0.00 27.41 31.70 1iku h HIS 140 CO 0.00 0.37 -0.94 1.28 -3.07 0.00 0.00 177.93 175.58 1iku n LEU 141 N -3.51 -2.27 -4.54 6.12 4.77 -1.19 -4.80 117.00 111.57 1iku n LEU 141 Ca -0.00 0.63 -0.38 0.00 -0.03 0.00 0.00 56.01 56.23 1iku n LEU 141 Cb 0.52 -0.96 0.04 0.00 -2.33 0.00 0.00 43.42 40.68 1iku n LEU 141 CO 0.37 -4.28 0.30 -2.65 -1.33 0.00 0.00 177.39 169.80 1iku n PRO 142 N 0.96 0.73 0.00 3.23 -0.02 -1.26 -4.82 135.00 133.82 1iku n PRO 142 Ca 0.08 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1iku n PRO 142 Cb 0.48 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1iku n PRO 142 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1iku n GLU 143 N -0.40 0.98 0.00 -0.52 -0.58 -1.26 -4.21 120.64 114.65 1iku n GLU 143 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1iku n GLU 143 Cb 0.46 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 1iku n GLU 143 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1iku n ASP 144 N -0.29 0.00 -3.12 1.62 2.03 -1.26 -4.86 116.55 110.66 1iku n ASP 144 Ca 0.00 0.52 0.03 0.00 0.52 0.00 0.00 54.79 55.86 1iku n ASP 144 Cb 0.10 -0.11 -0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1iku n ASP 144 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1iku s GLU 145 N -1.23 0.51 -1.11 -0.67 0.41 -1.26 -5.06 118.70 110.29 1iku s GLU 145 Ca 0.00 0.18 -0.04 0.00 -0.41 0.00 0.00 54.97 54.70 1iku s GLU 145 Cb 0.00 0.15 0.28 0.00 -1.78 0.00 0.00 34.13 32.77 1iku s GLU 145 CO 0.00 -0.84 1.73 0.09 -0.49 0.00 0.00 175.26 175.74 1iku n ASN 146 N 4.88 6.71 -4.10 -0.19 3.02 -1.26 -4.62 115.26 119.70 1iku n ASN 146 Ca 0.08 -3.44 -0.23 0.00 -0.03 0.00 0.00 54.58 50.95 1iku n ASN 146 Cb 0.57 -1.27 -0.16 0.00 -0.61 0.00 0.00 39.78 38.31 1iku n ASN 146 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1iku s THR 147 N -2.74 1.18 0.57 3.41 -4.23 -1.26 -5.00 115.64 107.57 1iku s THR 147 Ca 0.37 -0.61 0.28 0.00 -1.18 0.00 0.00 61.69 60.55 1iku s THR 147 Cb 0.11 -1.01 0.39 0.00 1.34 0.00 0.00 72.50 73.34 1iku s THR 147 CO 0.00 0.34 1.96 -0.65 -0.54 0.00 0.00 174.62 175.73 1iku h PRO 148 N 6.08 0.00 0.05 3.99 0.10 -1.94 0.52 132.00 140.81 1iku h PRO 148 Ca -0.34 0.00 -0.27 0.00 0.10 0.00 0.00 66.00 65.50 1iku h PRO 148 Cb 1.17 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 32.24 1iku h PRO 148 CO 0.48 0.00 -1.35 0.93 0.10 0.00 0.00 178.00 178.17 1iku h GLU 149 N 0.00 0.11 0.00 1.05 5.08 -1.96 -2.87 114.58 116.00 1iku h GLU 149 Ca 0.23 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1iku h GLU 149 Cb 1.08 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1iku h GLU 149 CO -0.00 0.96 -0.37 0.87 -1.00 0.00 0.00 179.01 179.48 1iku h LYS 150 N 0.03 0.00 0.08 2.33 1.79 -1.10 -2.42 116.57 117.29 1iku h LYS 150 Ca -0.16 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.14 1iku h LYS 150 Cb 1.92 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 32.59 1iku h LYS 150 CO 0.14 0.00 -0.71 -0.09 -1.08 0.00 0.00 179.45 177.71 1iku h ARG 151 N 0.00 0.33 -0.01 3.15 9.65 -0.17 -2.88 114.38 124.45 1iku h ARG 151 Ca 0.00 -0.47 -0.15 0.00 -1.10 0.00 0.00 59.98 58.26 1iku h ARG 151 Cb 0.96 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.68 1iku h ARG 151 CO 0.00 1.18 -0.70 0.00 2.80 0.00 0.00 179.97 183.25 1iku h ALA 152 N 0.17 0.81 0.28 2.80 0.00 -1.58 -2.77 119.26 118.97 1iku h ALA 152 Ca -0.11 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 1iku h ALA 152 Cb 1.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1iku h ALA 152 CO 0.14 0.84 -0.14 0.93 0.00 0.00 0.00 179.25 181.02 1iku h GLU 153 N 0.05 -0.37 -0.20 0.00 5.08 -1.50 0.58 114.58 118.23 1iku h GLU 153 Ca -0.01 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1iku h GLU 153 Cb 1.24 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 1iku h GLU 153 CO 0.10 -0.18 0.05 0.87 -1.00 0.00 0.00 179.01 178.84 1iku h LYS 154 N -0.47 0.13 -0.93 2.33 1.79 -1.53 0.35 116.57 118.24 1iku h LYS 154 Ca -0.04 -0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.52 1iku h LYS 154 Cb 0.35 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.90 1iku h LYS 154 CO 0.06 0.09 0.60 0.82 -1.08 0.00 0.00 179.45 179.94 1iku h ILE 155 N 0.13 0.99 -0.01 1.86 2.04 -1.35 0.99 117.51 122.16 1iku h ILE 155 Ca 0.09 -0.33 -0.19 0.00 1.00 0.00 0.00 64.86 65.43 1iku h ILE 155 Cb 0.07 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 1iku h ILE 155 CO -0.11 0.18 -0.84 -0.25 0.00 0.00 0.00 178.15 177.13 1iku h TRP 156 N 0.97 0.30 0.00 1.37 2.91 -0.02 0.45 115.95 121.92 1iku h TRP 156 Ca 0.43 -0.16 -0.07 0.00 1.13 0.00 0.00 58.89 60.22 1iku h TRP 156 Cb 0.36 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.96 1iku h TRP 156 CO -0.00 0.95 -0.35 0.78 -1.03 0.00 0.00 178.44 178.79 1iku h GLY 157 N 1.79 0.00 0.44 2.65 0.00 0.96 -3.22 103.07 105.69 1iku h GLY 157 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.97 1iku h GLY 157 CO 0.13 0.00 -1.76 0.74 0.00 0.00 0.00 176.54 175.64 1iku h PHE 158 N 0.00 0.35 0.00 5.60 0.04 -0.75 -3.39 116.94 118.78 1iku h PHE 158 Ca -0.00 -0.26 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1iku h PHE 158 Cb 0.89 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.03 1iku h PHE 158 CO 0.00 1.70 0.00 1.19 -0.60 0.00 0.00 178.31 180.60 1iku n PHE 159 N -3.78 0.00 0.00 -0.55 3.72 0.14 -4.78 117.46 112.22 1iku n PHE 159 Ca -0.32 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 1iku n PHE 159 Cb 0.94 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 1iku n PHE 159 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iku n GLY 160 N -0.95 0.40 0.00 1.37 0.00 -1.22 -5.04 105.19 99.75 1iku n GLY 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iku n GLY 160 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iku n LYS 161 N 0.00 0.00 0.00 1.61 5.02 -1.25 -4.95 118.16 118.59 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 0.00 0.00 0.11 1.97 4.76 -1.26 -3.83 118.16 119.91 1iku n LYS 162 Ca 0.00 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 1iku n LYS 162 Cb 0.00 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.20 1iku n LYS 162 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1iku h ASP 163 N 0.00 0.00 0.00 4.39 3.32 -2.01 -3.38 116.42 118.74 1iku h ASP 163 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1iku h ASP 163 Cb 0.00 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.57 1iku h ASP 163 CO 0.00 0.37 3.25 0.47 -1.72 0.00 0.00 179.24 181.61 1iku n ASP 164 N -3.01 7.88 -3.68 6.45 8.00 -1.26 -4.81 116.55 126.12 1iku n ASP 164 Ca -0.02 -2.52 -0.12 0.00 0.71 0.00 0.00 54.79 52.84 1iku n ASP 164 Cb 0.71 -1.48 -0.06 0.00 -0.02 0.00 0.00 41.12 40.27 1iku n ASP 164 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1iku s ASP 165 N 2.31 -0.23 -0.00 -2.24 2.15 -1.26 -4.87 116.67 112.53 1iku s ASP 165 Ca 0.65 -0.14 0.01 0.00 0.43 0.00 0.00 52.55 53.51 1iku s ASP 165 Cb 0.18 0.42 -0.00 0.00 -0.30 0.00 0.00 42.92 43.22 1iku s ASP 165 CO -0.05 -0.71 -0.04 -0.54 -0.17 0.00 0.00 175.17 173.67 1iku s LYS 166 N -2.88 0.31 -0.07 4.34 1.02 -1.26 -4.89 119.74 116.31 1iku s LYS 166 Ca -0.03 -0.12 -0.14 0.00 0.02 0.00 0.00 55.97 55.70 1iku s LYS 166 Cb 0.00 -0.31 -0.05 0.00 -0.52 0.00 0.00 37.83 36.95 1iku s LYS 166 CO -0.05 0.07 0.36 -0.51 -0.92 0.00 0.00 175.35 174.30 1iku s LEU 167 N -0.01 4.37 0.44 3.17 1.43 -1.10 -4.96 118.68 122.02 1iku s LEU 167 Ca 0.01 0.77 0.08 0.00 -1.03 0.00 0.00 54.13 53.96 1iku s LEU 167 Cb -0.02 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.70 1iku s LEU 167 CO -0.00 0.22 0.49 0.42 0.23 0.00 0.00 176.35 177.71 1iku s THR 168 N -0.40 2.65 0.08 5.49 -4.23 -1.26 -1.81 115.64 116.16 1iku s THR 168 Ca 0.21 -1.20 -0.35 0.00 -1.18 0.00 0.00 61.69 59.17 1iku s THR 168 Cb -0.15 -2.85 -0.17 0.00 1.34 0.00 0.00 72.50 70.67 1iku s THR 168 CO 0.09 0.00 1.58 -0.08 -0.54 0.00 0.00 174.62 175.67 1iku h GLU 169 N 0.78 -1.00 -0.63 3.99 4.57 -1.99 0.12 114.58 120.42 1iku h GLU 169 Ca -0.39 0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 57.82 1iku h GLU 169 Cb 1.28 0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 30.06 1iku h GLU 169 CO 0.51 -0.66 0.28 1.57 -1.18 0.00 0.00 179.01 179.52 1iku h LYS 170 N -1.03 0.92 -0.33 1.92 2.10 -1.96 -2.72 116.57 115.48 1iku h LYS 170 Ca -0.07 -0.15 0.03 0.00 -2.00 0.00 0.00 60.65 58.46 1iku h LYS 170 Cb 0.87 -0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 32.00 1iku h LYS 170 CO 0.02 0.76 0.12 1.49 -2.00 0.00 0.00 179.45 179.84 1iku h GLU 171 N 0.87 0.26 -0.75 0.07 4.81 -1.91 0.10 114.58 118.03 1iku h GLU 171 Ca 0.21 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.53 1iku h GLU 171 Cb 0.16 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.41 1iku h GLU 171 CO -0.02 0.17 0.38 0.35 -0.73 0.00 0.00 179.01 179.16 1iku h PHE 172 N 0.26 0.68 0.41 0.92 3.57 -0.56 1.08 116.94 123.29 1iku h PHE 172 Ca 0.14 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1iku h PHE 172 Cb 0.11 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1iku h PHE 172 CO -0.13 0.23 -0.20 0.82 -2.23 0.00 0.00 178.31 176.81 1iku h ILE 173 N 0.63 0.38 0.00 1.41 1.08 -1.07 -2.68 117.51 117.26 1iku h ILE 173 Ca 0.37 -0.61 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1iku h ILE 173 Cb 0.41 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.75 1iku h ILE 173 CO -0.28 0.08 0.00 -0.33 -0.69 0.00 0.00 178.15 176.92 1iku h GLU 174 N -0.99 0.00 -0.04 2.37 5.08 -0.58 -1.05 114.58 119.38 1iku h GLU 174 Ca -0.06 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.05 1iku h GLU 174 Cb 0.54 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.81 1iku h GLU 174 CO 0.09 0.00 -0.98 0.78 -1.00 0.00 0.00 179.01 177.90 1iku h GLY 175 N 0.83 0.81 1.19 -3.84 0.00 0.13 -2.08 103.07 100.12 1iku h GLY 175 Ca 0.00 -1.35 -0.34 0.00 0.00 0.00 0.00 47.33 45.64 1iku h GLY 175 CO 0.00 1.20 -1.52 -0.91 0.00 0.00 0.00 176.54 175.30 1iku h THR 176 N 0.43 1.22 0.51 4.70 1.35 -1.08 -3.28 112.91 116.77 1iku h THR 176 Ca -0.11 -2.66 -0.03 0.00 -0.55 0.00 0.00 66.41 63.06 1iku h THR 176 Cb 1.63 3.00 0.01 0.00 -1.73 0.00 0.00 68.15 71.06 1iku h THR 176 CO 0.20 0.82 -0.25 0.25 -0.25 0.00 0.00 175.52 176.28 1iku h LEU 177 N 0.13 -0.59 -0.32 3.87 6.46 -1.31 -3.35 115.31 120.21 1iku h LEU 177 Ca -0.27 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.54 1iku h LEU 177 Cb 2.16 0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 42.20 1iku h LEU 177 CO 0.26 -0.26 -0.19 0.00 -0.62 0.00 0.00 178.44 177.63 1iku h ALA 178 N -1.36 -0.19 -2.64 1.25 0.00 -1.55 -3.39 119.26 111.38 1iku h ALA 178 Ca -0.07 0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.33 1iku h ALA 178 Cb 0.53 1.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 1iku h ALA 178 CO 0.12 -0.33 0.04 -0.80 0.00 0.00 0.00 179.25 178.28 1iku s ASN 179 N -3.81 7.08 0.22 0.00 0.02 -1.24 -4.96 114.94 112.26 1iku s ASN 179 Ca -0.04 1.35 0.23 0.00 -1.02 0.00 0.00 52.86 53.38 1iku s ASN 179 Cb 0.04 -2.39 0.15 0.00 0.02 0.00 0.00 41.25 39.07 1iku s ASN 179 CO 0.20 0.16 1.22 0.11 0.02 0.00 0.00 177.10 178.81 1iku h LYS 180 N 4.00 0.00 0.26 -0.60 1.57 -1.78 -3.35 116.57 116.68 1iku h LYS 180 Ca -0.48 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1iku h LYS 180 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1iku h LYS 180 CO 0.65 0.00 -0.13 0.93 -0.57 0.00 0.00 179.45 180.33 1iku h GLU 181 N 0.00 -0.34 -1.16 3.15 4.39 -1.93 -1.44 114.58 117.25 1iku h GLU 181 Ca 0.00 0.02 0.39 0.00 0.34 0.00 0.00 59.36 60.11 1iku h GLU 181 Cb 0.93 0.08 -0.14 0.00 -0.10 0.00 0.00 28.75 29.52 1iku h GLU 181 CO 0.00 -0.23 0.71 0.82 -1.16 0.00 0.00 179.01 179.15 1iku h ILE 182 N -0.48 0.18 -0.07 3.13 2.04 -1.87 0.64 117.51 121.07 1iku h ILE 182 Ca -0.04 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1iku h ILE 182 Cb 0.27 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1iku h ILE 182 CO 0.06 0.03 0.02 0.25 0.00 0.00 0.00 178.15 178.51 1iku h LEU 183 N 0.16 0.11 -0.12 1.44 5.85 -1.66 0.28 115.31 121.37 1iku h LEU 183 Ca 0.78 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 59.28 1iku h LEU 183 Cb 2.19 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 43.19 1iku h LEU 183 CO -0.52 0.30 0.00 -1.14 -0.34 0.00 0.00 178.44 176.74 1iku n ARG 184 N -4.91 0.02 -0.06 1.25 0.63 0.21 0.01 116.66 113.82 1iku n ARG 184 Ca -0.06 0.42 -0.02 0.00 -0.92 0.00 0.00 57.85 57.26 1iku n ARG 184 Cb 0.14 -1.55 -0.14 0.00 0.45 0.00 0.00 32.46 31.37 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 -1.58 0.00 -0.09 6.15 4.77 -0.56 -4.70 117.00 120.99 1iku n LEU 185 Ca 0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.89 1iku n LEU 185 Cb 0.07 0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1iku n LEU 185 CO 0.06 0.28 -0.69 0.00 -1.33 0.00 0.00 177.39 175.70 1iku n ILE 186 N -2.46 1.49 -1.66 -0.08 0.00 0.92 -4.63 119.36 112.94 1iku n ILE 186 Ca -0.19 0.10 -0.42 0.00 0.00 0.00 0.00 62.75 62.24 1iku n ILE 186 Cb 0.85 -2.31 -0.01 0.00 0.00 0.00 0.00 39.64 38.17 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 -4.46 2.64 -1.89 9.51 7.27 0.10 -4.93 117.38 125.62 1iku n GLN 187 Ca -0.17 -2.50 -0.41 0.00 0.07 0.00 0.00 57.00 53.99 1iku n GLN 187 Cb 0.52 -3.24 -0.02 0.00 2.41 0.00 0.00 30.24 29.91 1iku n GLN 187 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 1iku s PHE 188 N 3.54 2.89 -2.34 3.69 5.36 -1.26 -4.77 117.98 125.09 1iku s PHE 188 Ca 0.49 0.87 0.29 0.00 -0.96 0.00 0.00 56.93 57.62 1iku s PHE 188 Cb 0.14 -3.95 1.32 0.00 -0.34 0.00 0.00 43.02 40.19 1iku s PHE 188 CO -0.05 -3.20 1.90 0.39 -1.46 0.00 0.00 175.22 172.80