#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 -0.34 -0.01 1.61 4.13 -1.26 -4.67 115.26 114.72 1iku n ASN 3 Ca 0.00 -1.53 -0.14 0.00 1.68 0.00 0.00 54.58 54.59 1iku n ASN 3 Cb 0.00 0.65 -0.14 0.00 -1.54 0.00 0.00 39.78 38.75 1iku n ASN 3 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1iku n SER 4 N -2.12 1.37 0.00 6.41 2.88 -1.26 -3.83 113.62 117.07 1iku n SER 4 Ca 0.01 0.34 0.11 0.00 -1.33 0.00 0.00 58.87 58.00 1iku n SER 4 Cb 0.16 -0.39 0.52 0.00 -0.75 0.00 0.00 64.21 63.75 1iku n SER 4 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1iku n LYS 5 N -3.22 0.15 0.20 -1.46 4.76 -1.26 -2.70 118.16 114.64 1iku n LYS 5 Ca -0.23 0.10 0.09 0.00 -2.87 0.00 0.00 58.31 55.40 1iku n LYS 5 Cb 1.05 -1.50 0.30 0.00 -1.84 0.00 0.00 35.03 33.04 1iku n LYS 5 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1iku h SER 6 N 0.00 0.00 0.75 4.39 0.02 -1.96 -2.84 113.55 113.90 1iku h SER 6 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1iku h SER 6 Cb 0.30 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1iku h SER 6 CO 0.00 0.24 -0.52 1.23 -1.14 0.00 0.00 176.83 176.65 1iku h GLY 7 N 2.85 0.00 0.10 -3.77 0.00 -1.71 -2.81 103.07 97.71 1iku h GLY 7 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1iku h GLY 7 CO 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.54 1iku h ALA 8 N 1.48 -0.08 -1.02 3.60 0.00 -1.69 -2.48 119.26 119.08 1iku h ALA 8 Ca -0.01 -0.19 0.27 0.00 0.00 0.00 0.00 54.91 54.99 1iku h ALA 8 Cb 1.03 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 1iku h ALA 8 CO 0.07 -0.09 0.60 -0.07 0.00 0.00 0.00 179.25 179.76 1iku h LEU 9 N -0.99 0.60 -0.06 0.00 3.38 -1.57 0.77 115.31 117.44 1iku h LEU 9 Ca -0.01 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1iku h LEU 9 Cb 0.41 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1iku h LEU 9 CO 0.01 0.03 -0.04 -1.28 0.09 0.00 0.00 178.44 177.25 1iku h SER 10 N 0.48 0.14 -0.04 -0.43 0.87 -1.57 -2.83 113.55 110.17 1iku h SER 10 Ca 0.67 -0.44 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1iku h SER 10 Cb 1.42 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 1iku h SER 10 CO -0.49 0.55 -0.07 0.50 -0.53 0.00 0.00 176.83 176.79 1iku h LYS 11 N -0.27 -0.06 -0.72 2.24 3.64 -0.37 0.34 116.57 121.36 1iku h LYS 11 Ca 0.01 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.50 1iku h LYS 11 Cb 0.51 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.22 1iku h LYS 11 CO 0.01 -0.04 -0.46 1.49 -2.27 0.00 0.00 179.45 178.18 1iku h GLU 12 N -0.06 -0.15 0.04 1.90 4.81 -1.53 0.36 114.58 119.94 1iku h GLU 12 Ca 0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1iku h GLU 12 Cb 0.08 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1iku h GLU 12 CO -0.07 -0.10 -0.08 0.82 -0.73 0.00 0.00 179.01 178.85 1iku h ILE 13 N -0.15 0.00 -1.42 2.32 2.04 -1.15 0.37 117.51 119.52 1iku h ILE 13 Ca 0.20 0.00 0.41 0.00 1.00 0.00 0.00 64.86 66.48 1iku h ILE 13 Cb 0.54 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 1iku h ILE 13 CO -0.79 0.00 1.02 -0.07 0.00 0.00 0.00 178.15 178.31 1iku h LEU 14 N -0.13 0.01 0.08 1.44 3.38 0.17 0.19 115.31 120.45 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 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1iku h LEU 14 CO -0.03 -0.00 -0.04 -0.08 0.09 0.00 0.00 178.44 178.38 1iku h GLU 15 N 0.01 -0.11 0.00 1.13 4.22 0.13 -2.80 114.58 117.16 1iku h GLU 15 Ca 0.68 0.01 0.00 0.00 0.08 0.00 0.00 59.36 60.13 1iku h GLU 15 Cb 2.71 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.98 1iku h GLU 15 CO -0.02 0.34 0.19 0.93 -2.18 0.00 0.00 179.01 178.27 1iku h GLU 16 N -0.60 0.00 -1.84 1.92 5.08 0.14 -2.33 114.58 116.95 1iku h GLU 16 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1iku h GLU 16 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1iku h GLU 16 CO 0.02 0.00 0.00 -0.11 -1.00 0.00 0.00 179.01 177.92 1iku n LEU 17 N -2.91 3.81 0.00 1.33 0.00 -0.91 -4.67 117.00 113.66 1iku n LEU 17 Ca -0.02 -1.74 0.00 0.00 0.00 0.00 0.00 56.01 54.24 1iku n LEU 17 Cb 0.24 -0.78 0.00 0.00 0.00 0.00 0.00 43.42 42.88 1iku n LEU 17 CO 0.16 0.71 0.00 0.00 0.00 0.00 0.00 177.39 178.25 1iku n GLN 18 N 1.40 0.00 0.00 1.96 6.02 -0.88 -4.85 117.38 121.02 1iku n GLN 18 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1iku n GLN 18 Cb 0.39 -3.69 0.00 0.00 1.02 0.00 0.00 30.24 27.96 1iku n GLN 18 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1iku n LEU 19 N 0.00 0.00 0.00 1.08 4.77 -1.18 -5.03 117.00 116.64 1iku n LEU 19 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1iku n LEU 19 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1iku n LEU 19 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 175.60 1iku n ASN 20 N 0.00 0.00 -3.53 -1.43 0.23 -1.26 -4.59 115.26 104.68 1iku n ASN 20 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.58 53.77 1iku n ASN 20 Cb 0.00 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.58 1iku n ASN 20 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1iku s THR 21 N -1.31 0.70 0.36 5.53 -1.32 -1.26 -4.55 115.64 113.80 1iku s THR 21 Ca 0.00 -2.36 0.18 0.00 -1.21 0.00 0.00 61.69 58.30 1iku s THR 21 Cb 0.00 -1.49 0.36 0.00 -1.51 0.00 0.00 72.50 69.85 1iku s THR 21 CO 0.00 -1.04 1.57 1.17 -2.21 0.00 0.00 174.62 174.12 1iku n LYS 22 N 3.43 -0.06 -1.71 7.08 4.81 -1.26 -4.46 118.16 125.99 1iku n LYS 22 Ca 0.17 1.39 -0.62 0.00 -0.87 0.00 0.00 58.31 58.38 1iku n LYS 22 Cb 0.39 -2.46 -0.08 0.00 0.02 0.00 0.00 35.03 32.90 1iku n LYS 22 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1iku n PHE 23 N -5.29 1.81 -0.56 5.64 3.72 -1.26 -4.87 117.46 116.66 1iku n PHE 23 Ca 0.36 0.85 -0.30 0.00 -0.05 0.00 0.00 57.45 58.31 1iku n PHE 23 Cb 1.22 -2.33 0.22 0.00 -0.94 0.00 0.00 39.48 37.65 1iku n PHE 23 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1iku n THR 24 N 4.05 0.00 0.03 4.37 5.66 -1.26 -4.84 114.28 122.28 1iku n THR 24 Ca 0.28 -0.35 -0.13 0.00 -3.05 0.00 0.00 64.05 60.80 1iku n THR 24 Cb 0.04 -0.77 -0.08 0.00 -1.55 0.00 0.00 70.33 67.97 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 -2.45 -0.04 -1.26 1.09 4.11 -1.89 -2.65 114.58 111.48 1iku h GLU 25 Ca -0.56 0.00 0.37 0.00 0.07 0.00 0.00 59.36 59.24 1iku h GLU 25 Cb 1.33 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.50 1iku h GLU 25 CO 0.41 0.21 0.85 0.93 0.07 0.00 0.00 179.01 181.48 1iku h GLU 26 N -0.29 0.14 0.50 1.06 4.39 -1.89 -0.77 114.58 117.73 1iku h GLU 26 Ca -0.00 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1iku h GLU 26 Cb 0.27 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1iku h GLU 26 CO 0.01 0.10 -0.35 1.49 -1.16 0.00 0.00 179.01 179.09 1iku h GLU 27 N 0.15 -0.78 -1.08 2.33 4.22 -1.80 -1.48 114.58 116.14 1iku h GLU 27 Ca 0.68 0.05 0.30 0.00 0.08 0.00 0.00 59.36 60.47 1iku h GLU 27 Cb 2.26 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 31.62 1iku h GLU 27 CO -0.21 -0.52 0.74 -0.07 -2.18 0.00 0.00 179.01 176.77 1iku h LEU 28 N -0.81 0.19 -0.03 1.64 3.38 -1.21 0.89 115.31 119.36 1iku h LEU 28 Ca -0.07 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1iku h LEU 28 Cb 0.66 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1iku h LEU 28 CO 0.04 0.04 -0.21 -1.28 0.09 0.00 0.00 178.44 177.11 1iku h SER 29 N 0.17 -0.62 -0.15 -0.43 0.87 -0.83 0.67 113.55 113.23 1iku h SER 29 Ca 0.56 0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 61.16 1iku h SER 29 Cb 1.85 0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 64.08 1iku h SER 29 CO -0.13 -0.27 -0.08 0.77 -0.53 0.00 0.00 176.83 176.58 1iku h SER 30 N -0.32 0.33 0.26 6.23 4.64 -0.50 -2.79 113.55 121.40 1iku h SER 30 Ca 0.07 -0.42 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 1iku h SER 30 Cb 0.41 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1iku h SER 30 CO -0.22 0.68 -0.13 -0.25 -0.87 0.00 0.00 176.83 176.05 1iku h TRP 31 N -0.02 -0.33 -0.95 4.77 7.01 -1.01 -2.07 115.95 123.35 1iku h TRP 31 Ca 0.03 -0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.21 1iku h TRP 31 Cb 0.56 0.11 -0.18 0.00 -2.10 0.00 0.00 29.16 27.56 1iku h TRP 31 CO 0.07 -0.20 -0.26 0.98 -2.79 0.00 0.00 178.44 176.24 1iku n TYR 32 N -2.96 0.29 0.48 2.65 9.36 0.23 0.33 117.16 127.55 1iku n TYR 32 Ca -0.04 1.16 -0.19 0.00 3.32 0.00 0.00 57.90 62.14 1iku n TYR 32 Cb 0.14 -1.02 -0.09 0.00 -0.63 0.00 0.00 39.34 37.73 1iku n TYR 32 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1iku h GLN 33 N 0.00 -1.20 -0.65 2.98 4.20 -1.44 -0.72 115.11 118.27 1iku h GLN 33 Ca 0.44 0.08 0.08 0.00 0.06 0.00 0.00 58.65 59.31 1iku h GLN 33 Cb 0.67 0.27 -0.04 0.00 0.30 0.00 0.00 27.48 28.69 1iku h GLN 33 CO -0.97 -0.80 0.43 0.66 -0.67 0.00 0.00 178.83 177.48 1iku h SER 34 N -1.25 0.51 -0.46 1.46 4.64 -0.46 0.66 113.55 118.65 1iku h SER 34 Ca -0.12 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.09 1iku h SER 34 Cb 0.97 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 1iku h SER 34 CO 0.18 0.32 -0.13 0.15 -0.87 0.00 0.00 176.83 176.48 1iku h PHE 35 N 0.57 1.04 0.00 4.77 3.57 0.13 -2.82 116.94 124.20 1iku h PHE 35 Ca 0.29 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1iku h PHE 35 Cb 0.40 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1iku h PHE 35 CO -0.00 0.99 -0.72 -0.07 -2.23 0.00 0.00 178.31 176.29 1iku h LEU 36 N 0.83 0.00 -0.46 0.59 3.38 -0.13 -2.71 115.31 116.81 1iku h LEU 36 Ca 0.13 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1iku h LEU 36 Cb 0.67 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1iku h LEU 36 CO 0.05 0.04 -0.04 0.50 0.09 0.00 0.00 178.44 179.07 1iku h LYS 37 N 0.00 0.84 0.16 1.13 3.64 0.52 -3.26 116.57 119.61 1iku h LYS 37 Ca 0.00 -0.29 -0.30 0.00 -1.27 0.00 0.00 60.65 58.78 1iku h LYS 37 Cb 0.90 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1iku h LYS 37 CO 0.00 0.92 -1.51 0.93 -2.27 0.00 0.00 179.45 177.51 1iku h GLU 38 N 0.69 0.33 -6.25 1.90 5.08 -1.62 -3.45 114.58 111.26 1iku h GLU 38 Ca 0.12 -0.57 -0.55 0.00 -1.00 0.00 0.00 59.36 57.37 1iku h GLU 38 Cb 0.57 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1iku h GLU 38 CO 0.03 1.27 1.09 0.00 -1.00 0.00 0.00 179.01 180.40 1iku s PRO 40 N 4.16 4.24 0.00 0.00 0.04 -1.26 -2.37 135.00 139.80 1iku s PRO 40 Ca 0.72 2.25 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1iku s PRO 40 Cb -0.31 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1iku s PRO 40 CO 0.28 -0.61 0.00 0.45 0.04 0.00 0.00 177.00 177.17 1iku n SER 41 N 4.60 -1.54 -0.58 6.66 2.88 -1.26 -0.47 113.62 123.91 1iku n SER 41 Ca 0.14 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.67 1iku n SER 41 Cb 0.40 -1.84 0.00 0.00 -0.75 0.00 0.00 64.21 62.03 1iku n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iku n GLY 42 N -0.19 0.91 3.65 0.46 0.00 -1.00 -4.65 105.19 104.36 1iku n GLY 42 Ca 0.00 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 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 -4.99 4.17 0.35 1.61 0.52 0.39 0.10 118.95 121.10 1iku s ARG 43 Ca 0.01 0.55 0.05 0.00 -0.52 0.00 0.00 55.73 55.82 1iku s ARG 43 Cb -0.01 -3.60 -0.07 0.00 0.52 0.00 0.00 34.95 31.80 1iku s ARG 43 CO 0.02 -0.29 0.05 0.96 0.02 0.00 0.00 175.30 176.06 1iku s ILE 44 N 2.07 1.38 0.44 1.52 -4.36 -0.82 -4.71 121.20 116.72 1iku s ILE 44 Ca 0.27 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.72 1iku s ILE 44 Cb -0.16 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.68 1iku s ILE 44 CO 0.10 0.00 0.19 0.42 0.24 0.00 0.00 174.94 175.88 1iku s THR 45 N -3.15 2.12 0.00 8.37 -4.23 -1.26 -1.06 115.64 116.43 1iku s THR 45 Ca 0.36 -1.71 -0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1iku s THR 45 Cb 0.09 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 71.10 1iku s THR 45 CO 0.16 0.00 1.02 0.03 -0.54 0.00 0.00 174.62 175.29 1iku h ARG 46 N 1.35 -0.04 -1.83 3.99 3.08 -1.99 0.13 114.38 119.07 1iku h ARG 46 Ca -0.42 0.00 0.55 0.00 0.07 0.00 0.00 59.98 60.18 1iku h ARG 46 Cb 1.26 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 31.23 1iku h ARG 46 CO 0.69 -0.02 1.29 -0.56 -1.07 0.00 0.00 179.97 180.29 1iku h GLN 47 N -0.04 0.00 0.00 0.04 3.07 -1.98 0.18 115.11 116.40 1iku h GLN 47 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 1iku h GLN 47 Cb 0.03 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.59 1iku h GLN 47 CO 0.00 0.00 -0.00 0.93 0.09 0.00 0.00 178.83 179.85 1iku h GLU 48 N 0.00 -0.00 -0.57 0.06 5.08 -1.88 -3.22 114.58 114.04 1iku h GLU 48 Ca 0.93 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 59.40 1iku h GLU 48 Cb 3.54 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 32.69 1iku h GLU 48 CO -0.13 0.56 -0.01 0.35 -1.00 0.00 0.00 179.01 178.78 1iku h PHE 49 N -1.00 -0.07 -0.93 4.33 3.57 0.21 0.89 116.94 123.94 1iku h PHE 49 Ca -0.00 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.69 1iku h PHE 49 Cb 0.57 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 39.33 1iku h PHE 49 CO 0.16 -0.16 0.54 1.96 -2.23 0.00 0.00 178.31 178.58 1iku h GLN 50 N 0.10 0.75 -0.60 1.11 1.08 -1.32 0.41 115.11 116.64 1iku h GLN 50 Ca 0.29 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.41 1iku h GLN 50 Cb 0.46 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 1iku h GLN 50 CO -0.50 0.50 0.23 1.15 -0.95 0.00 0.00 178.83 179.26 1iku h THR 51 N 0.77 1.23 -0.43 -0.54 2.02 -0.85 0.17 112.91 115.29 1iku h THR 51 Ca 0.50 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 1iku h THR 51 Cb 0.67 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1iku h THR 51 CO -0.34 0.29 0.01 0.40 0.37 0.00 0.00 175.52 176.25 1iku h ILE 52 N 0.84 1.26 -0.57 3.11 2.04 -0.38 0.50 117.51 124.32 1iku h ILE 52 Ca 0.20 -1.01 -0.08 0.00 1.00 0.00 0.00 64.86 64.97 1iku h ILE 52 Cb 0.22 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1iku h ILE 52 CO -0.01 0.35 0.04 0.22 0.00 0.00 0.00 178.15 178.74 1iku h TYR 53 N 0.60 1.01 0.00 1.37 3.20 -0.79 -1.39 116.97 120.97 1iku h TYR 53 Ca 0.12 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1iku h TYR 53 Cb 0.47 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1iku h TYR 53 CO 0.04 0.89 0.00 0.45 -1.64 0.00 0.00 178.16 177.90 1iku n SER 54 N -4.21 0.15 0.01 -2.11 2.88 0.03 -2.05 113.62 108.32 1iku n SER 54 Ca 0.03 0.51 -0.19 0.00 -1.33 0.00 0.00 58.87 57.90 1iku n SER 54 Cb 0.30 -0.55 -0.14 0.00 -0.75 0.00 0.00 64.21 63.07 1iku n SER 54 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1iku h LYS 55 N 0.00 0.22 0.00 -1.46 3.64 -0.13 -3.26 116.57 115.58 1iku h LYS 55 Ca 0.00 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 1iku h LYS 55 Cb 0.54 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1iku h LYS 55 CO 0.00 1.08 -0.62 0.74 -2.27 0.00 0.00 179.45 178.38 1iku h PHE 56 N 0.06 0.00 -2.21 1.91 0.04 -1.32 -3.39 116.94 112.03 1iku h PHE 56 Ca -0.39 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 59.80 1iku h PHE 56 Cb 2.03 0.00 -0.39 0.00 2.20 0.00 0.00 35.95 39.79 1iku h PHE 56 CO 0.06 0.04 -0.97 1.19 -0.60 0.00 0.00 178.31 178.03 1iku n PHE 57 N -2.86 0.17 0.34 -0.55 3.72 -0.87 -4.39 117.46 113.01 1iku n PHE 57 Ca 0.01 -3.60 -0.13 0.00 -0.05 0.00 0.00 57.45 53.68 1iku n PHE 57 Cb 0.56 -0.20 -0.06 0.00 -0.94 0.00 0.00 39.48 38.83 1iku n PHE 57 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1iku h PRO 58 N 4.62 -0.83 -0.63 -1.08 0.11 -1.77 -2.64 132.00 129.76 1iku h PRO 58 Ca 0.15 0.06 0.18 0.00 0.11 0.00 0.00 66.00 66.50 1iku h PRO 58 Cb 0.85 0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1iku h PRO 58 CO 0.49 -0.55 0.59 0.93 -0.21 0.00 0.00 178.00 179.25 1iku h GLU 59 N -0.91 0.00 -6.24 1.05 5.08 -1.94 -3.39 114.58 108.23 1iku h GLU 59 Ca -0.09 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.71 1iku h GLU 59 Cb 0.66 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1iku h GLU 59 CO 0.14 0.00 0.77 0.00 -1.00 0.00 0.00 179.01 178.93 1iku s ALA 60 N -4.70 3.56 0.32 3.43 0.00 -1.00 -4.96 121.76 118.41 1iku s ALA 60 Ca -0.04 0.53 -0.26 0.00 0.00 0.00 0.00 51.96 52.18 1iku s ALA 60 Cb 0.17 -3.55 -0.14 0.00 0.00 0.00 0.00 23.12 19.60 1iku s ALA 60 CO 0.61 -0.92 0.79 -3.47 0.00 0.00 0.00 175.76 172.76 1iku n ASP 61 N 5.77 0.20 0.00 0.00 2.03 -1.26 -4.69 116.55 118.60 1iku n ASP 61 Ca 0.12 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.51 1iku n ASP 61 Cb 0.46 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.68 1iku n ASP 61 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1iku n PRO 62 N 0.69 0.00 -2.71 -0.67 -0.04 -1.26 -2.44 135.00 128.58 1iku n PRO 62 Ca 0.12 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.50 1iku n PRO 62 Cb 0.33 -1.13 0.10 0.00 -0.04 0.00 0.00 33.50 32.76 1iku n PRO 62 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1iku n LYS 63 N -0.61 0.96 0.00 0.54 2.85 -1.26 -4.92 118.16 115.72 1iku n LYS 63 Ca 0.00 -1.70 0.00 0.00 -1.05 0.00 0.00 58.31 55.56 1iku n LYS 63 Cb 0.00 -0.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.89 1iku n LYS 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iku n ALA 64 N -0.07 0.00 -0.03 0.58 0.00 -1.02 -4.70 120.51 115.27 1iku n ALA 64 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 1iku n ALA 64 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.20 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 0.35 0.23 0.00 9.36 -1.26 -4.12 117.16 121.71 1iku n TYR 65 Ca 0.00 0.15 0.03 0.00 3.32 0.00 0.00 57.90 61.41 1iku n TYR 65 Cb 0.00 -0.44 0.18 0.00 -0.63 0.00 0.00 39.34 38.45 1iku n TYR 65 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1iku h ALA 66 N -1.62 1.54 -0.92 2.98 0.00 -1.96 -1.84 119.26 117.44 1iku h ALA 66 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.14 1iku h ALA 66 Cb 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.82 1iku h ALA 66 CO 0.00 -0.54 0.00 0.37 0.00 0.00 0.00 179.25 179.08 1iku h GLN 67 N 0.00 0.05 0.09 0.00 4.15 -1.84 0.04 115.11 117.60 1iku h GLN 67 Ca 0.00 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1iku h GLN 67 Cb 1.33 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.01 1iku h GLN 67 CO 0.00 0.03 -0.05 1.25 -1.93 0.00 0.00 178.83 178.13 1iku h HIS 68 N 0.05 -0.12 -0.59 3.99 2.76 -1.62 -2.96 115.15 116.66 1iku h HIS 68 Ca 0.53 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.75 1iku h HIS 68 Cb 1.03 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.95 1iku h HIS 68 CO -0.49 0.33 -0.36 0.28 -1.30 0.00 0.00 177.93 176.39 1iku h VAL 69 N -0.62 0.00 0.12 5.26 2.07 -1.19 0.27 116.25 122.17 1iku h VAL 69 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1iku h VAL 69 Cb 0.50 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1iku h VAL 69 CO 0.02 0.00 -0.29 0.15 0.02 0.00 0.00 177.57 177.47 1iku h PHE 70 N -0.01 -0.83 -0.36 1.57 3.57 -1.47 -0.18 116.94 119.23 1iku h PHE 70 Ca 0.10 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.72 1iku h PHE 70 Cb 0.25 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1iku h PHE 70 CO -0.98 -0.34 0.69 -0.09 -2.23 0.00 0.00 178.31 175.36 1iku h ARG 71 N -0.45 0.00 0.01 1.11 2.43 -1.24 0.66 114.38 116.89 1iku h ARG 71 Ca -0.01 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.94 1iku h ARG 71 Cb 0.43 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1iku h ARG 71 CO -0.13 0.00 -1.10 0.66 -1.51 0.00 0.00 179.97 177.89 1iku h SER 72 N 0.00 0.02 0.22 -3.80 4.64 0.13 -3.23 113.55 111.53 1iku h SER 72 Ca 0.17 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1iku h SER 72 Cb 1.55 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.63 1iku h SER 72 CO -0.00 1.02 -0.10 -0.26 -0.87 0.00 0.00 176.83 176.61 1iku h PHE 73 N 0.00 0.00 -5.64 4.77 0.04 0.11 -3.44 116.94 112.78 1iku h PHE 73 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1iku h PHE 73 Cb 1.81 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.95 1iku h PHE 73 CO 0.00 0.10 -1.00 -0.25 -0.60 0.00 0.00 178.31 176.57 1iku n ASP 74 N -3.87 -7.11 -4.73 2.17 9.92 -1.20 -4.64 116.55 107.09 1iku n ASP 74 Ca -0.02 1.02 -0.64 0.00 -0.53 0.00 0.00 54.79 54.62 1iku n ASP 74 Cb 0.20 -3.77 -0.09 0.00 -0.64 0.00 0.00 41.12 36.81 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 1.04 -0.97 -2.63 2.24 0.00 -1.26 -4.93 120.51 114.00 1iku n ALA 75 Ca -0.02 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1iku n ALA 75 Cb 0.22 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1iku n ALA 75 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1iku n ASN 76 N 4.45 0.00 0.00 0.00 2.85 -1.16 -4.79 115.26 116.60 1iku n ASN 76 Ca 0.29 -0.95 0.00 0.00 -0.11 0.00 0.00 54.58 53.81 1iku n ASN 76 Cb 0.01 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.03 1iku n ASN 76 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1iku n SER 77 N -2.84 0.00 0.09 1.20 3.41 -1.26 -2.46 113.62 111.75 1iku n SER 77 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1iku n SER 77 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1iku n SER 77 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1iku h ASP 78 N 2.88 -0.46 0.00 4.04 1.82 -2.04 -3.43 116.42 119.23 1iku h ASP 78 Ca 0.00 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1iku h ASP 78 Cb 0.00 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1iku h ASP 78 CO 0.00 -0.23 0.00 0.61 -1.61 0.00 0.00 179.24 178.01 1iku n GLY 79 N -1.29 0.00 3.24 -0.78 0.00 -1.03 -5.14 105.19 100.19 1iku n GLY 79 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 1iku n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 80 N 0.00 0.77 -0.05 2.61 -4.23 -1.15 -4.40 115.64 109.20 1iku s THR 80 Ca 0.00 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 58.42 1iku s THR 80 Cb 0.00 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.80 1iku s THR 80 CO 0.00 -0.54 0.25 -1.48 -0.54 0.00 0.00 174.62 172.31 1iku s LEU 81 N -3.17 1.09 0.37 4.79 0.05 -0.22 -2.99 118.68 118.60 1iku s LEU 81 Ca 0.22 0.20 -0.28 0.00 0.05 0.00 0.00 54.13 54.32 1iku s LEU 81 Cb 0.05 0.96 -0.11 0.00 -2.05 0.00 0.00 46.19 45.04 1iku s LEU 81 CO 0.03 -0.27 1.51 -0.62 -0.55 0.00 0.00 176.35 176.45 1iku s ASP 82 N -0.71 6.32 -0.11 1.48 -1.08 -1.26 -1.95 116.67 119.36 1iku s ASP 82 Ca -0.08 3.06 -0.07 0.00 -0.52 0.00 0.00 52.55 54.95 1iku s ASP 82 Cb -0.04 -2.67 -0.27 0.00 -1.46 0.00 0.00 42.92 38.49 1iku s ASP 82 CO 0.02 -0.90 0.39 0.15 0.52 0.00 0.00 175.17 175.35 1iku h PHE 83 N 3.20 0.50 0.21 -5.34 3.57 -0.60 -3.32 116.94 115.15 1iku h PHE 83 Ca -0.51 -0.36 0.01 0.00 3.53 0.00 0.00 57.97 60.64 1iku h PHE 83 Cb 1.24 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 1iku h PHE 83 CO 0.54 1.77 -0.32 0.87 -2.23 0.00 0.00 178.31 178.94 1iku h LYS 84 N 0.07 -0.58 -0.80 1.11 1.57 -1.87 -0.97 116.57 115.11 1iku h LYS 84 Ca -0.42 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 58.55 1iku h LYS 84 Cb 2.04 0.13 -0.10 0.00 0.08 0.00 0.00 32.23 34.39 1iku h LYS 84 CO 0.10 -0.38 0.35 0.93 -0.57 0.00 0.00 179.45 179.87 1iku h GLU 85 N -0.60 0.49 -0.16 3.15 4.39 -1.95 -0.49 114.58 119.40 1iku h GLU 85 Ca 0.01 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.70 1iku h GLU 85 Cb 0.59 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1iku h GLU 85 CO -0.13 0.32 0.05 -0.92 -1.16 0.00 0.00 179.01 177.16 1iku h TYR 86 N 0.50 0.08 -0.17 4.33 5.03 -1.48 0.71 116.97 125.98 1iku h TYR 86 Ca 0.44 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.80 1iku h TYR 86 Cb 0.67 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.90 1iku h TYR 86 CO -0.14 0.04 -0.06 0.28 -1.32 0.00 0.00 178.16 176.96 1iku h VAL 87 N 0.12 0.78 0.49 1.81 2.07 0.17 0.33 116.25 122.01 1iku h VAL 87 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1iku h VAL 87 Cb 0.05 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1iku h VAL 87 CO -0.08 0.00 -0.34 0.40 0.02 0.00 0.00 177.57 177.58 1iku h ILE 88 N -0.03 0.31 -0.10 4.57 2.04 -0.83 0.38 117.51 123.85 1iku h ILE 88 Ca 0.09 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.98 1iku h ILE 88 Cb 0.17 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1iku h ILE 88 CO -0.20 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.07 1iku h ALA 89 N -0.38 1.69 0.00 1.87 0.00 -0.62 0.22 119.26 122.04 1iku h ALA 89 Ca -0.05 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1iku h ALA 89 Cb 0.67 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1iku h ALA 89 CO 0.03 -0.16 -0.61 1.25 0.00 0.00 0.00 179.25 179.76 1iku h LEU 90 N 0.00 0.00 0.00 0.00 7.12 0.82 -3.37 115.31 119.88 1iku h LEU 90 Ca 0.05 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1iku h LEU 90 Cb 0.27 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.40 1iku h LEU 90 CO -0.00 0.27 -0.16 0.45 -0.13 0.00 0.00 178.44 178.86 1iku h HIS 91 N 0.00 0.00 0.00 1.25 3.86 0.28 -3.44 115.15 117.10 1iku h HIS 91 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1iku h HIS 91 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1iku h HIS 91 CO 0.00 0.00 0.00 -1.33 0.86 0.00 0.00 177.93 177.46 1iku n MET 92 N -3.46 0.00 -1.49 2.45 2.81 -0.22 -3.61 117.12 113.61 1iku n MET 92 Ca -0.02 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.71 1iku n MET 92 Cb 0.08 -0.36 -0.13 0.00 -0.71 0.00 0.00 33.22 32.11 1iku n MET 92 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1iku n THR 93 N 0.00 0.00 0.00 2.03 5.66 -1.26 -3.85 114.28 116.86 1iku n THR 93 Ca 0.00 -0.45 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1iku n THR 93 Cb 0.00 -1.06 0.00 0.00 -1.55 0.00 0.00 70.33 67.72 1iku n THR 93 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1iku n SER 94 N 12.59 0.00 -1.61 1.09 7.64 -1.24 -4.89 113.62 127.21 1iku n SER 94 Ca 0.50 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1iku n SER 94 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1iku n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iku n ALA 95 N -0.01 -2.49 0.00 -0.43 0.00 -1.25 -4.92 120.51 111.41 1iku n ALA 95 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1iku n ALA 95 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1iku n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iku n GLY 96 N 0.96 -0.09 1.59 0.00 0.00 -1.26 -4.94 105.19 101.46 1iku n GLY 96 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -4.26 -0.05 1.61 4.76 -1.26 -4.74 118.16 114.23 1iku n LYS 97 Ca 0.00 3.28 -0.05 0.00 -2.87 0.00 0.00 58.31 58.66 1iku n LYS 97 Cb 0.00 -4.01 -0.02 0.00 -1.84 0.00 0.00 35.03 29.16 1iku n LYS 97 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1iku n THR 98 N -2.28 1.00 0.00 -0.18 -1.04 -1.26 -4.25 114.28 106.27 1iku n THR 98 Ca 0.00 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1iku n THR 98 Cb 0.39 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 66.92 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 -3.74 0.00 -0.00 8.00 6.94 -1.26 0.68 115.26 125.87 1iku n ASN 99 Ca -0.08 0.22 -0.14 0.00 -0.02 0.00 0.00 54.58 54.56 1iku n ASN 99 Cb 0.30 -0.22 -0.14 0.00 -2.36 0.00 0.00 39.78 37.36 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 0.11 -0.00 -3.83 4.20 -1.89 -3.25 115.11 110.46 1iku h GLN 100 Ca 0.00 -0.19 -0.21 0.00 0.06 0.00 0.00 58.65 58.31 1iku h GLN 100 Cb 0.52 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 1iku h GLN 100 CO 0.00 0.80 -0.89 0.87 -0.67 0.00 0.00 178.83 178.94 1iku h LYS 101 N 0.03 0.30 0.40 1.46 6.56 0.07 -3.11 116.57 122.28 1iku h LYS 101 Ca -0.32 -0.32 -0.02 0.00 -1.06 0.00 0.00 60.65 58.93 1iku h LYS 101 Cb 2.02 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 33.77 1iku h LYS 101 CO 0.09 1.02 -0.19 -0.07 -2.06 0.00 0.00 179.45 178.24 1iku h LEU 102 N 0.17 -0.45 -1.64 2.94 3.38 -1.65 -1.43 115.31 116.63 1iku h LEU 102 Ca -0.06 0.02 0.39 0.00 0.09 0.00 0.00 57.88 58.32 1iku h LEU 102 Cb 1.52 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 42.29 1iku h LEU 102 CO 0.15 -0.21 0.89 -0.33 0.09 0.00 0.00 178.44 179.03 1iku h GLU 103 N -0.77 0.12 -0.06 1.13 4.39 -1.69 0.46 114.58 118.16 1iku h GLU 103 Ca -0.05 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 1iku h GLU 103 Cb 0.41 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1iku h GLU 103 CO 0.09 0.08 -0.11 2.35 -1.16 0.00 0.00 179.01 180.26 1iku h TRP 104 N 0.13 0.21 -0.27 4.33 7.01 -1.46 0.19 115.95 126.09 1iku h TRP 104 Ca 0.71 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.63 1iku h TRP 104 Cb 2.40 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 29.41 1iku h TRP 104 CO -0.00 0.70 0.13 0.00 -2.79 0.00 0.00 178.44 176.47 1iku h ALA 105 N 0.48 0.35 -0.21 2.65 0.00 0.86 0.45 119.26 123.83 1iku h ALA 105 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1iku h ALA 105 Cb 0.68 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1iku h ALA 105 CO 0.02 -0.08 0.07 0.35 0.00 0.00 0.00 179.25 179.61 1iku h PHE 106 N 0.30 0.35 -0.15 0.00 3.57 -0.58 -2.16 116.94 118.27 1iku h PHE 106 Ca 0.09 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1iku h PHE 106 Cb 0.13 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1iku h PHE 106 CO -0.02 0.42 -0.17 0.77 -2.23 0.00 0.00 178.31 177.08 1iku h SER 107 N 0.17 0.23 -0.04 0.41 0.02 -0.45 -0.81 113.55 113.09 1iku h SER 107 Ca 0.07 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1iku h SER 107 Cb 0.24 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1iku h SER 107 CO -0.00 0.43 -0.12 0.25 -1.14 0.00 0.00 176.83 176.25 1iku h LEU 108 N 0.23 0.31 -0.02 5.07 5.85 0.29 -2.07 115.31 124.96 1iku h LEU 108 Ca 0.04 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1iku h LEU 108 Cb 0.44 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1iku h LEU 108 CO 0.03 0.46 -0.54 -1.22 -0.34 0.00 0.00 178.44 176.82 1iku n TYR 109 N -4.26 0.00 -0.54 1.25 4.01 -0.76 -4.21 117.16 112.65 1iku n TYR 109 Ca -0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 1iku n TYR 109 Cb 0.28 -0.22 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1iku n TYR 109 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1iku n ASP 110 N -1.47 4.98 -0.18 7.72 8.00 -0.38 -4.43 116.55 130.78 1iku n ASP 110 Ca 0.06 -2.33 0.15 0.00 0.71 0.00 0.00 54.79 53.37 1iku n ASP 110 Cb 0.34 -1.10 0.49 0.00 -0.02 0.00 0.00 41.12 40.82 1iku n ASP 110 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1iku h VAL 111 N 1.23 0.80 0.00 2.53 -1.51 -1.76 -3.35 116.25 114.19 1iku h VAL 111 Ca 0.03 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1iku h VAL 111 Cb 1.01 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1iku h VAL 111 CO 0.04 0.08 0.00 -0.67 -1.23 0.00 0.00 177.57 175.79 1iku n ASP 112 N -4.49 0.00 0.00 4.19 -0.08 -1.26 -5.01 116.55 109.89 1iku n ASP 112 Ca 0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 1iku n ASP 112 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1iku n ASP 112 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1iku n GLY 113 N 1.86 0.00 0.29 0.27 0.00 -1.26 -4.95 105.19 101.41 1iku n GLY 113 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1iku n GLY 113 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1iku h ASN 114 N 0.00 0.17 -2.17 1.61 4.21 -1.95 -3.47 115.58 113.98 1iku h ASN 114 Ca 0.00 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1iku h ASN 114 Cb 0.00 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 1iku h ASN 114 CO 0.00 0.12 0.00 0.61 -1.29 0.00 0.00 177.43 176.87 1iku n GLY 115 N -1.53 0.47 3.26 2.83 0.00 -1.26 -4.97 105.19 103.98 1iku n GLY 115 Ca 0.01 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 1iku n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 116 N -2.72 0.10 0.11 2.61 -4.23 -1.26 -3.69 115.64 106.56 1iku s THR 116 Ca 0.00 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 1iku s THR 116 Cb 0.00 -1.18 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 1iku s THR 116 CO 0.00 -0.46 -0.02 -0.51 -0.54 0.00 0.00 174.62 173.09 1iku s ILE 117 N -3.53 0.47 0.34 2.99 2.07 -0.95 -4.70 121.20 117.88 1iku s ILE 117 Ca 0.02 -1.91 0.04 0.00 -1.41 0.00 0.00 60.65 57.38 1iku s ILE 117 Cb 0.02 -1.83 -0.06 0.00 0.13 0.00 0.00 42.46 40.72 1iku s ILE 117 CO -0.10 -0.72 0.06 -0.44 -1.91 0.00 0.00 174.94 171.84 1iku s SER 118 N -3.05 2.50 0.04 4.50 0.01 -1.26 -2.36 113.70 114.08 1iku s SER 118 Ca 0.16 -1.42 -0.12 0.00 1.31 0.00 0.00 55.95 55.89 1iku s SER 118 Cb 0.07 -0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.24 1iku s SER 118 CO -0.02 -0.65 1.19 0.50 0.41 0.00 0.00 173.24 174.67 1iku h LYS 119 N 2.05 -0.20 -0.80 12.44 1.63 -1.85 -2.06 116.57 127.79 1iku h LYS 119 Ca -0.40 0.01 0.21 0.00 -0.85 0.00 0.00 60.65 59.62 1iku h LYS 119 Cb 1.25 0.04 -0.15 0.00 -0.60 0.00 0.00 32.23 32.77 1iku h LYS 119 CO 0.69 -0.13 -0.01 0.09 -3.45 0.00 0.00 179.45 176.64 1iku n ASN 120 N -3.56 -0.11 -0.25 4.20 3.02 -1.26 0.17 115.26 117.46 1iku n ASN 120 Ca -0.02 1.36 -0.03 0.00 -0.03 0.00 0.00 54.58 55.85 1iku n ASN 120 Cb 0.13 -0.48 0.08 0.00 -0.61 0.00 0.00 39.78 38.90 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 0.83 -0.43 3.52 5.08 -1.80 -1.25 114.58 120.54 1iku h GLU 121 Ca 0.47 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.78 1iku h GLU 121 Cb 0.95 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1iku h GLU 121 CO -0.76 0.55 0.25 0.28 -1.00 0.00 0.00 179.01 178.33 1iku h VAL 122 N 0.86 1.15 -0.45 3.13 2.07 0.20 -2.55 116.25 120.66 1iku h VAL 122 Ca 0.29 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.50 1iku h VAL 122 Cb 0.03 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1iku h VAL 122 CO -0.11 0.15 0.15 0.25 0.02 0.00 0.00 177.57 178.03 1iku h LEU 123 N 0.56 0.14 -0.34 2.57 5.85 -0.74 -1.91 115.31 121.44 1iku h LEU 123 Ca 0.15 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1iku h LEU 123 Cb 0.03 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 1iku h LEU 123 CO -0.03 0.11 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.68 1iku h GLU 124 N 0.31 -0.12 -0.08 1.25 5.08 -0.85 0.23 114.58 120.40 1iku h GLU 124 Ca 0.21 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1iku h GLU 124 Cb 0.22 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1iku h GLU 124 CO -0.23 -0.08 -0.26 0.82 -1.00 0.00 0.00 179.01 178.26 1iku h ILE 125 N -0.13 0.39 -0.82 3.13 2.04 -1.08 0.92 117.51 121.96 1iku h ILE 125 Ca 0.17 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.12 1iku h ILE 125 Cb 0.39 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 1iku h ILE 125 CO -0.42 0.00 0.53 0.58 0.00 0.00 0.00 178.15 178.85 1iku h VAL 126 N -0.36 0.97 -0.15 1.67 2.07 -0.59 -0.17 116.25 119.69 1iku h VAL 126 Ca 0.08 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 1iku h VAL 126 Cb 0.48 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1iku h VAL 126 CO -0.28 0.14 -0.37 0.74 0.02 0.00 0.00 177.57 177.82 1iku h THR 127 N 0.79 1.30 0.00 2.57 2.02 0.87 0.12 112.91 120.59 1iku h THR 127 Ca 0.37 -1.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 1iku h THR 127 Cb 0.40 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1iku h THR 127 CO -0.15 0.44 -0.00 0.00 0.37 0.00 0.00 175.52 176.19 1iku h ALA 128 N 1.33 -0.00 -0.13 6.16 0.00 0.96 0.79 119.26 128.37 1iku h ALA 128 Ca 0.03 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1iku h ALA 128 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1iku h ALA 128 CO 0.06 -0.42 -0.36 0.82 0.00 0.00 0.00 179.25 179.36 1iku h ILE 129 N -0.18 1.37 -0.49 0.00 2.04 -1.32 -2.39 117.51 116.54 1iku h ILE 129 Ca -0.00 -1.65 0.02 0.00 1.00 0.00 0.00 64.86 64.23 1iku h ILE 129 Cb 0.17 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1iku h ILE 129 CO 0.00 0.49 0.32 0.15 0.00 0.00 0.00 178.15 179.12 1iku h PHE 130 N 0.08 0.57 -0.12 1.37 3.57 -0.75 0.17 116.94 121.83 1iku h PHE 130 Ca -0.01 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1iku h PHE 130 Cb 0.97 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1iku h PHE 130 CO 0.11 0.35 -0.31 0.87 -2.23 0.00 0.00 178.31 177.09 1iku h LYS 131 N 0.61 0.24 -0.41 1.11 1.79 -0.72 -2.34 116.57 116.85 1iku h LYS 131 Ca 0.19 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.54 1iku h LYS 131 Cb 0.01 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1iku h LYS 131 CO -0.04 0.53 0.14 1.98 -1.08 0.00 0.00 179.45 180.98 1iku h MET 132 N 0.21 0.59 -6.38 3.15 4.05 -0.14 -3.41 114.93 113.01 1iku h MET 132 Ca 0.03 -0.09 -0.58 0.00 -0.28 0.00 0.00 59.70 58.78 1iku h MET 132 Cb 0.66 -0.11 0.03 0.00 -0.80 0.00 0.00 31.60 31.39 1iku h MET 132 CO 0.05 0.52 1.07 -0.89 0.23 0.00 0.00 176.91 177.89 1iku n ILE 133 N -4.35 0.47 -0.86 1.77 5.41 -0.88 -4.78 119.36 116.13 1iku n ILE 133 Ca 0.03 -0.08 -0.34 0.00 1.00 0.00 0.00 62.75 63.35 1iku n ILE 133 Cb 0.17 -1.94 0.09 0.00 -0.71 0.00 0.00 39.64 37.25 1iku n ILE 133 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1iku n SER 134 N 6.03 -3.50 -0.27 4.38 7.64 -1.26 -4.71 113.62 121.93 1iku n SER 134 Ca 0.20 0.21 0.05 0.00 1.01 0.00 0.00 58.87 60.34 1iku n SER 134 Cb 0.33 -0.99 0.27 0.00 -1.01 0.00 0.00 64.21 62.81 1iku n SER 134 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1iku h PRO 135 N -1.39 0.93 0.00 1.43 0.10 -1.91 -2.70 132.00 128.45 1iku h PRO 135 Ca -0.44 -0.06 -0.01 0.00 0.10 0.00 0.00 66.00 65.59 1iku h PRO 135 Cb 1.30 -0.21 -0.00 0.00 0.10 0.00 0.00 31.00 32.19 1iku h PRO 135 CO 0.30 0.62 -0.08 1.49 0.10 0.00 0.00 178.00 180.43 1iku h GLU 136 N 0.96 0.00 0.00 1.05 4.81 -1.99 -2.99 114.58 116.42 1iku h GLU 136 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1iku h GLU 136 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1iku h GLU 136 CO -0.13 0.85 0.68 -0.44 -0.73 0.00 0.00 179.01 179.24 1iku h ASP 137 N -1.00 0.00 0.12 1.04 5.19 -1.86 1.18 116.42 121.08 1iku h ASP 137 Ca -0.02 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.02 1iku h ASP 137 Cb 0.87 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.36 1iku h ASP 137 CO -0.01 0.00 -2.01 0.35 -3.12 0.00 0.00 179.24 174.45 1iku n THR 138 N -2.47 1.77 0.27 0.35 -2.24 -1.03 -3.85 114.28 107.08 1iku n THR 138 Ca -0.01 -0.64 0.07 0.00 -2.27 0.00 0.00 64.05 61.20 1iku n THR 138 Cb 0.70 -1.73 0.34 0.00 -2.10 0.00 0.00 70.33 67.54 1iku n THR 138 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1iku n LYS 139 N -3.49 0.08 0.08 -0.78 5.02 0.40 -1.05 118.16 118.42 1iku n LYS 139 Ca -0.33 0.45 0.12 0.00 -2.02 0.00 0.00 58.31 56.53 1iku n LYS 139 Cb 1.04 -1.70 0.17 0.00 -0.02 0.00 0.00 35.03 34.53 1iku n LYS 139 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1iku h HIS 140 N 0.00 0.00 -3.46 2.13 3.86 -1.43 -3.46 115.15 112.79 1iku h HIS 140 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 1iku h HIS 140 Cb 0.16 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 1iku h HIS 140 CO 0.00 0.00 0.03 -0.51 0.86 0.00 0.00 177.93 178.31 1iku s LEU 141 N -4.47 4.34 -0.53 2.43 1.43 -0.21 -4.95 118.68 116.72 1iku s LEU 141 Ca 0.06 1.27 -0.29 0.00 -1.03 0.00 0.00 54.13 54.14 1iku s LEU 141 Cb 0.12 -3.45 -0.11 0.00 0.03 0.00 0.00 46.19 42.79 1iku s LEU 141 CO 0.71 0.06 2.40 -2.65 0.23 0.00 0.00 176.35 177.11 1iku n PRO 142 N 0.76 0.95 0.00 1.29 -0.01 -1.26 -4.74 135.00 131.98 1iku n PRO 142 Ca -0.04 0.12 0.01 0.00 -0.01 0.00 0.00 63.50 63.59 1iku n PRO 142 Cb 0.51 -2.84 0.07 0.00 -0.01 0.00 0.00 33.50 31.23 1iku n PRO 142 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1iku n GLU 143 N 8.71 0.02 0.00 -0.52 -0.58 -1.26 -1.18 120.64 125.83 1iku n GLU 143 Ca 0.43 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 1iku n GLU 143 Cb 0.37 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1iku n GLU 143 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1iku n ASP 144 N -1.43 0.00 0.00 1.62 5.68 -1.26 -4.05 116.55 117.11 1iku n ASP 144 Ca 0.01 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.64 1iku n ASP 144 Cb 0.03 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1iku n ASP 144 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1iku n GLU 145 N -0.50 0.00 -1.12 0.11 4.07 -0.76 -5.01 120.64 117.43 1iku n GLU 145 Ca 0.00 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.76 1iku n GLU 145 Cb 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.35 1iku n GLU 145 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1iku n ASN 146 N 0.00 4.71 -4.12 4.31 3.02 -0.32 -4.48 115.26 118.37 1iku n ASN 146 Ca 0.00 -2.55 -0.26 0.00 -0.03 0.00 0.00 54.58 51.74 1iku n ASN 146 Cb 0.00 -1.27 -0.16 0.00 -0.61 0.00 0.00 39.78 37.74 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 3.63 1.38 0.34 3.41 -4.23 -1.26 -4.88 115.64 114.02 1iku s THR 147 Ca 0.51 -0.69 0.21 0.00 -1.18 0.00 0.00 61.69 60.54 1iku s THR 147 Cb 0.13 -1.19 0.21 0.00 1.34 0.00 0.00 72.50 73.00 1iku s THR 147 CO -0.00 0.40 1.61 -0.65 -0.54 0.00 0.00 174.62 175.43 1iku h PRO 148 N 6.25 0.00 0.13 3.99 0.11 -1.94 0.19 132.00 140.73 1iku h PRO 148 Ca -0.33 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.48 1iku h PRO 148 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1iku h PRO 148 CO 0.48 0.00 -1.53 0.93 -0.21 0.00 0.00 178.00 177.67 1iku h GLU 149 N 0.00 0.27 0.00 1.05 3.07 -1.94 -2.83 114.58 114.20 1iku h GLU 149 Ca 0.00 -0.47 -0.03 0.00 -0.50 0.00 0.00 59.36 58.36 1iku h GLU 149 Cb 0.64 0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1iku h GLU 149 CO 0.00 1.22 -0.15 0.87 -1.40 0.00 0.00 179.01 179.56 1iku h LYS 150 N -0.20 0.00 0.01 2.33 1.57 -1.07 -1.09 116.57 118.12 1iku h LYS 150 Ca -0.32 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1iku h LYS 150 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.16 1iku h LYS 150 CO 0.08 0.15 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.01 1iku h ARG 151 N 0.00 -0.01 0.00 3.15 2.43 -0.87 -2.84 114.38 116.24 1iku h ARG 151 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1iku h ARG 151 Cb 0.85 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1iku h ARG 151 CO 0.02 0.78 -0.21 0.00 -1.51 0.00 0.00 179.97 179.05 1iku h ALA 152 N 0.11 0.98 -0.13 2.80 0.00 -1.51 -2.86 119.26 118.65 1iku h ALA 152 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1iku h ALA 152 Cb 0.79 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1iku h ALA 152 CO 0.00 0.26 -0.06 0.93 0.00 0.00 0.00 179.25 180.38 1iku h GLU 153 N 0.00 0.28 -0.29 0.00 4.39 -1.24 0.18 114.58 117.89 1iku h GLU 153 Ca -0.00 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1iku h GLU 153 Cb 0.80 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1iku h GLU 153 CO 0.03 0.60 0.14 0.87 -1.16 0.00 0.00 179.01 179.49 1iku h LYS 154 N -0.06 0.42 -0.35 2.33 1.57 -1.44 0.54 116.57 119.58 1iku h LYS 154 Ca 0.03 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1iku h LYS 154 Cb 0.52 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1iku h LYS 154 CO 0.02 0.40 0.17 0.82 -0.57 0.00 0.00 179.45 180.29 1iku h ILE 155 N 0.34 1.16 0.00 1.86 2.04 -1.48 -0.22 117.51 121.21 1iku h ILE 155 Ca 0.10 -0.45 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 1iku h ILE 155 Cb 0.11 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1iku h ILE 155 CO -0.01 0.17 -0.39 -0.25 0.00 0.00 0.00 178.15 177.67 1iku h TRP 156 N 0.43 0.00 0.00 1.37 2.91 -0.43 -1.67 115.95 118.57 1iku h TRP 156 Ca 0.12 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.14 1iku h TRP 156 Cb 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.76 1iku h TRP 156 CO -0.02 0.39 0.00 0.41 -1.03 0.00 0.00 178.44 178.19 1iku n GLY 157 N -0.28 -1.54 0.03 2.65 0.00 0.19 -0.16 105.19 106.08 1iku n GLY 157 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 1iku n GLY 157 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1iku h PHE 158 N 0.00 0.00 -0.00 1.61 -1.00 -0.09 -3.27 116.94 114.18 1iku h PHE 158 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1iku h PHE 158 Cb 0.57 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.13 1iku h PHE 158 CO 0.00 0.00 -0.63 1.97 -1.61 0.00 0.00 178.31 178.04 1iku n PHE 159 N -3.45 0.00 -0.11 -0.55 1.16 -1.07 -4.33 117.46 109.11 1iku n PHE 159 Ca -0.02 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.36 1iku n PHE 159 Cb 0.08 -0.09 -0.12 0.00 -1.61 0.00 0.00 39.48 37.74 1iku n PHE 159 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1iku n GLY 160 N 1.46 -0.40 4.19 4.97 0.00 0.38 -4.96 105.19 110.82 1iku n GLY 160 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1iku n GLY 160 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1iku n LYS 161 N -3.41 0.00 -3.61 1.61 0.00 0.78 -4.69 118.16 108.83 1iku n LYS 161 Ca -0.45 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 57.83 1iku n LYS 161 Cb 0.98 -2.41 -0.02 0.00 0.00 0.00 0.00 35.03 33.58 1iku n LYS 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1iku s LYS 162 N 0.00 0.20 0.45 1.64 -2.85 -1.26 -4.92 119.74 113.00 1iku s LYS 162 Ca 0.00 -0.08 0.20 0.00 -1.00 0.00 0.00 55.97 55.09 1iku s LYS 162 Cb 0.00 0.09 1.08 0.00 -2.06 0.00 0.00 37.83 36.94 1iku s LYS 162 CO 0.00 -0.09 1.95 0.38 0.10 0.00 0.00 175.35 177.70 1iku h ASP 163 N 2.00 0.00 -1.33 0.03 2.03 -1.91 -3.16 116.42 114.08 1iku h ASP 163 Ca -0.07 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.55 1iku h ASP 163 Cb 1.15 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 39.48 1iku h ASP 163 CO 0.22 0.22 1.53 0.47 -1.03 0.00 0.00 179.24 180.65 1iku n ASP 164 N -3.91 7.45 -3.42 4.15 9.92 -1.26 -4.70 116.55 124.78 1iku n ASP 164 Ca -0.02 -3.28 -0.10 0.00 -0.53 0.00 0.00 54.79 50.86 1iku n ASP 164 Cb 0.31 -1.28 -0.09 0.00 -0.64 0.00 0.00 41.12 39.42 1iku n ASP 164 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1iku s ASP 165 N 0.04 0.26 0.31 -2.24 2.15 -1.20 -5.13 116.67 110.87 1iku s ASP 165 Ca 0.53 0.32 -0.11 0.00 0.43 0.00 0.00 52.55 53.73 1iku s ASP 165 Cb 0.26 1.07 -0.07 0.00 -0.30 0.00 0.00 42.92 43.88 1iku s ASP 165 CO -0.16 -0.29 0.66 -0.54 -0.17 0.00 0.00 175.17 174.67 1iku s LYS 166 N 2.53 3.84 -0.13 4.34 1.02 -1.26 -4.75 119.74 125.34 1iku s LYS 166 Ca 0.10 0.41 -0.03 0.00 0.02 0.00 0.00 55.97 56.47 1iku s LYS 166 Cb -0.15 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.62 1iku s LYS 166 CO -0.15 0.17 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.93 1iku s LEU 167 N -3.21 3.45 0.58 3.17 1.43 -0.99 -4.92 118.68 118.19 1iku s LEU 167 Ca 0.50 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1iku s LEU 167 Cb -0.11 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.34 1iku s LEU 167 CO 0.23 0.26 0.82 -0.89 0.23 0.00 0.00 176.35 177.01 1iku s THR 168 N -0.20 2.57 0.00 5.49 2.01 -1.26 -2.25 115.64 122.00 1iku s THR 168 Ca 0.05 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1iku s THR 168 Cb -0.13 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.41 1iku s THR 168 CO 0.02 0.00 0.48 -0.62 -0.69 0.00 0.00 174.62 173.81 1iku n GLU 169 N -2.46 0.00 -0.24 4.92 1.02 -1.24 -0.24 120.64 122.40 1iku n GLU 169 Ca 0.08 0.41 0.32 0.00 -0.02 0.00 0.00 57.16 57.95 1iku n GLU 169 Cb 0.60 -0.98 0.72 0.00 -0.02 0.00 0.00 31.44 31.76 1iku n GLU 169 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1iku h LYS 170 N 0.00 0.00 0.52 3.49 1.63 -1.95 -0.24 116.57 120.02 1iku h LYS 170 Ca 0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1iku h LYS 170 Cb 0.00 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1iku h LYS 170 CO 0.00 0.00 -0.25 1.49 -3.45 0.00 0.00 179.45 177.24 1iku h GLU 171 N 0.00 -0.68 -0.45 1.90 4.22 -1.38 0.12 114.58 118.31 1iku h GLU 171 Ca 0.49 0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.94 1iku h GLU 171 Cb 2.11 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 31.49 1iku h GLU 171 CO -0.01 -0.37 0.10 0.35 -2.18 0.00 0.00 179.01 176.91 1iku h PHE 172 N -1.00 0.69 0.55 0.92 3.57 0.57 0.27 116.94 122.50 1iku h PHE 172 Ca -0.07 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.35 1iku h PHE 172 Cb 0.62 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.16 1iku h PHE 172 CO 0.01 0.59 -0.26 0.82 -2.23 0.00 0.00 178.31 177.23 1iku h ILE 173 N 0.65 0.00 0.00 1.41 1.08 -1.05 -2.80 117.51 116.80 1iku h ILE 173 Ca 0.15 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1iku h ILE 173 Cb 0.25 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.00 1iku h ILE 173 CO -0.00 0.00 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.10 1iku h GLU 174 N -1.11 0.00 -0.00 2.37 4.39 -0.73 -1.38 114.58 118.11 1iku h GLU 174 Ca -0.08 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1iku h GLU 174 Cb 0.57 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1iku h GLU 174 CO 0.12 0.02 -0.03 0.78 -1.16 0.00 0.00 179.01 178.75 1iku h GLY 175 N 0.12 -0.03 0.91 -3.84 0.00 -0.37 0.44 103.07 100.29 1iku h GLY 175 Ca -0.00 0.04 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 1iku h GLY 175 CO 0.00 -0.04 -0.43 -0.91 0.00 0.00 0.00 176.54 175.17 1iku h THR 176 N -0.06 1.34 0.21 4.70 1.35 -1.14 -2.87 112.91 116.45 1iku h THR 176 Ca 0.02 -1.69 -0.01 0.00 -0.55 0.00 0.00 66.41 64.17 1iku h THR 176 Cb 0.07 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1iku h THR 176 CO -0.04 0.52 -0.10 0.25 -0.25 0.00 0.00 175.52 175.90 1iku h LEU 177 N 0.22 -0.24 -0.09 3.87 6.46 -1.13 -3.34 115.31 121.06 1iku h LEU 177 Ca -0.01 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1iku h LEU 177 Cb 1.04 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.02 1iku h LEU 177 CO 0.09 -0.14 -0.08 0.00 -0.62 0.00 0.00 178.44 177.70 1iku h ALA 178 N -1.80 -0.22 -2.03 1.25 0.00 -0.27 -3.35 119.26 112.83 1iku h ALA 178 Ca -0.03 0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.32 1iku h ALA 178 Cb 0.22 0.90 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1iku h ALA 178 CO 0.05 -0.27 1.01 1.21 0.00 0.00 0.00 179.25 181.25 1iku s ASN 179 N -3.16 6.63 0.27 0.00 3.84 -1.08 -4.88 114.94 116.56 1iku s ASN 179 Ca -0.02 1.48 0.08 0.00 0.21 0.00 0.00 52.86 54.62 1iku s ASN 179 Cb 0.01 -2.54 0.38 0.00 -0.55 0.00 0.00 41.25 38.55 1iku s ASN 179 CO 0.08 -1.07 1.63 0.07 -2.79 0.00 0.00 177.10 175.02 1iku h LYS 180 N 9.56 0.11 0.91 0.43 2.10 -1.76 -3.18 116.57 124.74 1iku h LYS 180 Ca -0.29 -0.07 -0.04 0.00 -2.00 0.00 0.00 60.65 58.24 1iku h LYS 180 Cb 1.12 0.01 0.01 0.00 -0.90 0.00 0.00 32.23 32.47 1iku h LYS 180 CO 1.01 0.64 -0.44 0.93 -2.00 0.00 0.00 179.45 179.59 1iku h GLU 181 N 0.09 -1.17 -0.92 0.07 5.08 -1.89 -2.37 114.58 113.47 1iku h GLU 181 Ca -0.00 0.08 0.24 0.00 -1.00 0.00 0.00 59.36 58.68 1iku h GLU 181 Cb 1.01 0.27 -0.17 0.00 0.50 0.00 0.00 28.75 30.36 1iku h GLU 181 CO 0.08 -0.78 0.04 0.82 -1.00 0.00 0.00 179.01 178.17 1iku h ILE 182 N -1.25 0.14 -0.78 3.13 2.04 -1.87 1.33 117.51 120.25 1iku h ILE 182 Ca -0.12 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.79 1iku h ILE 182 Cb 0.93 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 1iku h ILE 182 CO 0.20 0.01 0.51 0.25 0.00 0.00 0.00 178.15 179.13 1iku h LEU 183 N 0.06 0.72 -1.46 1.44 5.85 -1.48 0.92 115.31 121.35 1iku h LEU 183 Ca 0.54 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 59.22 1iku h LEU 183 Cb 1.07 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1iku h LEU 183 CO -0.83 0.46 -0.25 -0.09 -0.34 0.00 0.00 178.44 177.38 1iku h ARG 184 N 0.81 0.00 0.00 1.25 9.65 0.23 -2.70 114.38 123.62 1iku h ARG 184 Ca 0.34 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.22 1iku h ARG 184 Cb 0.28 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1iku h ARG 184 CO -0.12 0.25 -0.88 1.28 2.80 0.00 0.00 179.97 183.31 1iku n LEU 185 N -3.79 0.81 -0.06 3.80 4.77 -0.13 -4.31 117.00 118.09 1iku n LEU 185 Ca -0.01 -0.31 -0.02 0.00 -0.03 0.00 0.00 56.01 55.63 1iku n LEU 185 Cb 0.35 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 1iku n LEU 185 CO 0.35 0.20 -0.17 -0.29 -1.33 0.00 0.00 177.39 176.14 1iku h ILE 186 N 0.00 0.00 -0.07 -0.08 -0.00 -0.58 -3.35 117.51 113.42 1iku h ILE 186 Ca 0.00 -0.99 -0.05 0.00 -0.00 0.00 0.00 64.86 63.82 1iku h ILE 186 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 36.82 37.32 1iku h ILE 186 CO 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 178.15 178.21 1iku n GLN 187 N -4.68 1.12 0.00 2.19 10.64 -1.11 -4.89 117.38 120.65 1iku n GLN 187 Ca -0.03 -0.23 0.00 0.00 -1.83 0.00 0.00 57.00 54.90 1iku n GLN 187 Cb 0.13 -1.09 0.00 0.00 -0.86 0.00 0.00 30.24 28.42 1iku n GLN 187 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1iku n PHE 188 N 1.21 0.00 -1.19 2.61 7.35 -1.26 -4.77 117.46 121.41 1iku n PHE 188 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 1iku n PHE 188 Cb 0.52 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.35 1iku n PHE 188 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09