#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iku s ASN 3 N 0.00 0.14 -0.01 1.61 -0.87 -1.26 -4.97 114.94 109.58 1iku s ASN 3 Ca 0.00 -1.08 -0.25 0.00 -1.57 0.00 0.00 52.86 49.96 1iku s ASN 3 Cb 0.00 0.63 -0.19 0.00 -0.02 0.00 0.00 41.25 41.66 1iku s ASN 3 CO 0.00 -1.23 1.30 0.28 -2.57 0.00 0.00 177.10 174.88 1iku h SER 4 N 2.20 -0.03 -0.03 -1.22 0.02 -1.99 -2.87 113.55 109.62 1iku h SER 4 Ca -0.27 -0.41 0.01 0.00 -0.84 0.00 0.00 61.79 60.28 1iku h SER 4 Cb 1.25 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 1iku h SER 4 CO 0.37 0.40 0.04 0.07 -1.14 0.00 0.00 176.83 176.56 1iku h LYS 5 N -0.47 0.00 0.00 3.45 2.10 -1.97 0.10 116.57 119.78 1iku h LYS 5 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1iku h LYS 5 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1iku h LYS 5 CO 0.01 0.00 0.00 1.03 -2.00 0.00 0.00 179.45 178.49 1iku h SER 6 N 0.00 0.00 0.73 7.07 0.87 -1.91 -2.23 113.55 118.08 1iku h SER 6 Ca 0.02 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.38 1iku h SER 6 Cb 0.09 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1iku h SER 6 CO -0.00 0.00 -0.92 1.23 -0.53 0.00 0.00 176.83 176.61 1iku h GLY 7 N 1.70 0.12 0.49 5.77 0.00 -0.81 -3.27 103.07 107.07 1iku h GLY 7 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1iku h GLY 7 CO 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 176.54 176.73 1iku h ALA 8 N 1.00 -0.07 -1.25 3.60 0.00 -1.49 -2.38 119.26 118.67 1iku h ALA 8 Ca -0.04 -0.24 0.37 0.00 0.00 0.00 0.00 54.91 55.00 1iku h ALA 8 Cb 1.58 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.30 1iku h ALA 8 CO 0.13 -0.29 0.83 -0.07 0.00 0.00 0.00 179.25 179.86 1iku h LEU 9 N -0.59 0.25 -0.01 0.00 3.38 -1.62 0.24 115.31 116.97 1iku h LEU 9 Ca -0.01 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1iku h LEU 9 Cb 0.51 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1iku h LEU 9 CO 0.01 -0.04 -0.17 0.77 0.09 0.00 0.00 178.44 179.10 1iku h SER 10 N 0.17 0.16 -0.79 -0.43 4.64 -1.57 -2.81 113.55 112.92 1iku h SER 10 Ca 0.70 -0.75 0.19 0.00 -0.47 0.00 0.00 61.79 61.46 1iku h SER 10 Cb 2.23 -0.05 -0.13 0.00 -0.31 0.00 0.00 62.40 64.14 1iku h SER 10 CO -0.27 0.90 0.16 0.50 -0.87 0.00 0.00 176.83 177.25 1iku h LYS 11 N -0.55 0.21 -0.16 4.77 3.64 -0.03 0.30 116.57 124.75 1iku h LYS 11 Ca -0.02 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1iku h LYS 11 Cb 0.92 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1iku h LYS 11 CO 0.03 0.14 0.02 0.93 -2.27 0.00 0.00 179.45 178.30 1iku h GLU 12 N 0.22 0.26 0.72 1.90 5.08 -1.41 -1.02 114.58 120.32 1iku h GLU 12 Ca 0.46 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 1iku h GLU 12 Cb 0.86 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.08 1iku h GLU 12 CO -0.60 0.46 -0.35 0.82 -1.00 0.00 0.00 179.01 178.34 1iku h ILE 13 N 0.03 0.00 -0.07 3.13 2.04 -0.77 -0.31 117.51 121.56 1iku h ILE 13 Ca 0.05 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.89 1iku h ILE 13 Cb 0.33 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1iku h ILE 13 CO 0.00 0.00 0.28 -0.07 0.00 0.00 0.00 178.15 178.37 1iku h LEU 14 N -1.00 0.00 0.04 1.44 3.38 -0.58 -1.59 115.31 117.01 1iku h LEU 14 Ca -0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1iku h LEU 14 Cb 0.74 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1iku h LEU 14 CO 0.16 0.00 -0.27 -0.08 0.09 0.00 0.00 178.44 178.34 1iku h GLU 15 N 0.00 0.10 -0.99 1.13 4.57 -0.65 -3.32 114.58 115.43 1iku h GLU 15 Ca 0.04 -0.17 0.06 0.00 -1.18 0.00 0.00 59.36 58.11 1iku h GLU 15 Cb 0.60 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.19 1iku h GLU 15 CO -0.00 1.07 0.64 1.49 -1.18 0.00 0.00 179.01 181.03 1iku h GLU 16 N -0.77 1.13 0.00 1.92 4.57 -0.08 -3.16 114.58 118.19 1iku h GLU 16 Ca -0.05 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1iku h GLU 16 Cb 1.20 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 1iku h GLU 16 CO 0.05 0.74 0.00 -0.11 -1.18 0.00 0.00 179.01 178.52 1iku n LEU 17 N -4.49 0.00 0.00 1.64 0.00 -0.99 -4.83 117.00 108.33 1iku n LEU 17 Ca 0.15 0.80 0.00 0.00 0.00 0.00 0.00 56.01 56.96 1iku n LEU 17 Cb 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 43.42 43.30 1iku n LEU 17 CO 0.32 -0.30 0.00 1.67 0.00 0.00 0.00 177.39 179.08 1iku n GLN 18 N -2.14 0.00 -0.75 1.96 -0.06 -1.19 -5.00 117.38 110.19 1iku n GLN 18 Ca 0.00 0.00 -0.22 0.00 -2.00 0.00 0.00 57.00 54.78 1iku n GLN 18 Cb 0.00 0.00 0.19 0.00 -4.06 0.00 0.00 30.24 26.37 1iku n GLN 18 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1iku n LEU 19 N -0.12 0.00 -3.64 1.69 4.77 -1.25 -5.05 117.00 113.41 1iku n LEU 19 Ca 0.00 -0.86 -0.04 0.00 -0.03 0.00 0.00 56.01 55.08 1iku n LEU 19 Cb 0.00 -0.75 -0.07 0.00 -2.33 0.00 0.00 43.42 40.27 1iku n LEU 19 CO 0.00 -1.90 0.57 0.21 -1.33 0.00 0.00 177.39 174.94 1iku s ASN 20 N -3.68 -0.65 -0.28 -1.43 3.84 -1.26 -4.55 114.94 106.94 1iku s ASN 20 Ca 0.53 1.03 -0.03 0.00 0.21 0.00 0.00 52.86 54.60 1iku s ASN 20 Cb -0.05 1.29 0.11 0.00 -0.55 0.00 0.00 41.25 42.05 1iku s ASN 20 CO 0.41 -0.16 0.19 0.28 -2.79 0.00 0.00 177.10 175.03 1iku s THR 21 N 1.48 -0.20 0.09 -5.21 -1.32 -1.26 -4.40 115.64 104.82 1iku s THR 21 Ca -0.09 -0.60 0.19 0.00 -1.21 0.00 0.00 61.69 59.98 1iku s THR 21 Cb -0.04 -0.95 0.19 0.00 -1.51 0.00 0.00 72.50 70.19 1iku s THR 21 CO -0.16 -0.59 1.54 0.11 -2.21 0.00 0.00 174.62 173.30 1iku h LYS 22 N 8.35 0.00 -6.45 7.08 1.57 -2.00 -3.43 116.57 121.69 1iku h LYS 22 Ca -0.17 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.02 1iku h LYS 22 Cb 1.05 0.00 0.17 0.00 0.08 0.00 0.00 32.23 33.53 1iku h LYS 22 CO 0.39 0.00 -0.47 1.19 -0.57 0.00 0.00 179.45 179.99 1iku n PHE 23 N -2.28 -0.90 -1.92 -1.35 3.01 -1.26 -4.96 117.46 107.80 1iku n PHE 23 Ca -0.01 0.45 -0.22 0.00 1.01 0.00 0.00 57.45 58.68 1iku n PHE 23 Cb 0.24 -1.93 0.14 0.00 -0.01 0.00 0.00 39.48 37.93 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 -1.66 0.00 0.06 4.37 5.66 -1.26 -5.01 114.28 116.43 1iku n THR 24 Ca 0.11 -0.88 -0.22 0.00 -3.05 0.00 0.00 64.05 60.01 1iku n THR 24 Cb 0.47 -1.47 -0.15 0.00 -1.55 0.00 0.00 70.33 67.64 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 0.34 -1.00 1.09 9.09 -1.93 -3.30 114.58 118.88 1iku h GLU 25 Ca -0.32 -0.59 0.29 0.00 0.05 0.00 0.00 59.36 58.80 1iku h GLU 25 Cb 0.93 0.22 -0.04 0.00 -1.65 0.00 0.00 28.75 28.21 1iku h GLU 25 CO 0.25 1.28 0.75 0.93 0.05 0.00 0.00 179.01 182.27 1iku h GLU 26 N -0.15 0.00 0.34 1.06 5.08 -1.92 -0.71 114.58 118.28 1iku h GLU 26 Ca -0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1iku h GLU 26 Cb 1.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1iku h GLU 26 CO 0.14 0.00 -0.16 1.49 -1.00 0.00 0.00 179.01 179.48 1iku h GLU 27 N 0.00 -0.44 -0.87 2.33 4.57 -1.96 -2.27 114.58 115.94 1iku h GLU 27 Ca 0.47 0.03 0.25 0.00 -1.18 0.00 0.00 59.36 58.94 1iku h GLU 27 Cb 1.97 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 30.62 1iku h GLU 27 CO -0.00 -0.29 0.64 -0.07 -1.18 0.00 0.00 179.01 178.10 1iku h LEU 28 N -0.63 0.00 0.44 1.64 3.38 -1.47 0.06 115.31 118.73 1iku h LEU 28 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1iku h LEU 28 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1iku h LEU 28 CO 0.08 0.00 -0.21 -1.28 0.09 0.00 0.00 178.44 177.12 1iku h SER 29 N 0.00 -0.50 -0.31 -0.43 0.87 -0.99 0.57 113.55 112.75 1iku h SER 29 Ca 0.41 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 1iku h SER 29 Cb 1.69 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.77 1iku h SER 29 CO -0.00 -0.27 0.11 0.77 -0.53 0.00 0.00 176.83 176.90 1iku h SER 30 N -0.69 0.45 0.45 6.23 4.64 -0.46 -2.69 113.55 121.48 1iku h SER 30 Ca -0.06 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 1iku h SER 30 Cb 0.50 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1iku h SER 30 CO 0.10 0.52 -0.22 -0.25 -0.87 0.00 0.00 176.83 176.11 1iku h TRP 31 N 0.35 -0.56 -0.97 4.77 7.01 -1.04 -1.64 115.95 123.88 1iku h TRP 31 Ca 0.10 -0.01 0.40 0.00 2.11 0.00 0.00 58.89 61.49 1iku h TRP 31 Cb 0.22 0.18 -0.17 0.00 -2.10 0.00 0.00 29.16 27.30 1iku h TRP 31 CO 0.00 -0.35 0.53 0.98 -2.79 0.00 0.00 178.44 176.81 1iku n TYR 32 N -3.78 1.09 0.01 2.65 9.36 0.20 0.66 117.16 127.35 1iku n TYR 32 Ca -0.07 1.10 -0.18 0.00 3.32 0.00 0.00 57.90 62.07 1iku n TYR 32 Cb 0.24 -1.51 -0.11 0.00 -0.63 0.00 0.00 39.34 37.33 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 0.47 0.00 2.98 4.20 -1.35 -2.62 115.11 118.79 1iku h GLN 33 Ca 0.81 -0.50 -0.06 0.00 0.06 0.00 0.00 58.65 58.96 1iku h GLN 33 Cb 2.16 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 30.08 1iku h GLN 33 CO -0.72 1.14 -0.28 0.77 -0.67 0.00 0.00 178.83 179.08 1iku h SER 34 N -0.00 0.00 -0.03 1.46 0.02 0.86 -1.23 113.55 114.64 1iku h SER 34 Ca -0.08 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 1iku h SER 34 Cb 1.38 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.93 1iku h SER 34 CO 0.13 0.28 -0.46 0.15 -1.14 0.00 0.00 176.83 175.80 1iku h PHE 35 N 0.00 0.51 0.00 3.45 3.57 0.22 -2.87 116.94 121.82 1iku h PHE 35 Ca -0.00 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1iku h PHE 35 Cb 0.77 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1iku h PHE 35 CO 0.00 1.05 0.00 1.28 -2.23 0.00 0.00 178.31 178.41 1iku n LEU 36 N -4.32 0.42 0.04 0.59 4.77 -0.99 -1.87 117.00 115.63 1iku n LEU 36 Ca -0.10 0.54 -0.20 0.00 -0.03 0.00 0.00 56.01 56.23 1iku n LEU 36 Cb 0.59 -0.42 -0.12 0.00 -2.33 0.00 0.00 43.42 41.15 1iku n LEU 36 CO 0.44 -0.12 0.12 0.50 -1.33 0.00 0.00 177.39 177.00 1iku h LYS 37 N 0.00 0.52 0.00 3.23 1.63 -1.17 -3.29 116.57 117.49 1iku h LYS 37 Ca 0.00 -0.61 0.00 0.00 -0.85 0.00 0.00 60.65 59.19 1iku h LYS 37 Cb 0.60 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1iku h LYS 37 CO 0.00 1.24 -0.71 0.93 -3.45 0.00 0.00 179.45 177.46 1iku h GLU 38 N 0.07 0.00 -7.10 1.90 5.08 -1.51 -3.47 114.58 109.55 1iku h GLU 38 Ca -0.12 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.71 1iku h GLU 38 Cb 1.58 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.95 1iku h GLU 38 CO 0.17 0.00 0.48 0.00 -1.00 0.00 0.00 179.01 178.66 1iku s PRO 40 N -3.35 2.24 0.00 0.00 0.04 -1.26 -3.24 135.00 129.42 1iku s PRO 40 Ca 0.78 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1iku s PRO 40 Cb -0.31 -4.58 0.00 0.00 0.04 0.00 0.00 34.50 29.65 1iku s PRO 40 CO 0.34 -3.25 0.00 0.43 0.04 0.00 0.00 177.00 174.56 1iku n SER 41 N 15.11 0.00 -0.04 6.66 7.64 -1.26 -1.12 113.62 140.61 1iku n SER 41 Ca 0.33 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1iku n SER 41 Cb 0.52 -1.97 0.00 0.00 -1.01 0.00 0.00 64.21 61.75 1iku n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iku n GLY 42 N -1.41 1.21 3.02 0.23 0.00 -1.20 -5.09 105.19 101.95 1iku n GLY 42 Ca 0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1iku n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iku s ARG 43 N -0.73 2.10 0.42 1.61 3.52 -0.28 -3.54 118.95 122.05 1iku s ARG 43 Ca 0.00 -0.50 0.07 0.00 -0.13 0.00 0.00 55.73 55.17 1iku s ARG 43 Cb 0.00 -1.87 -0.04 0.00 -1.56 0.00 0.00 34.95 31.47 1iku s ARG 43 CO 0.00 -0.14 0.22 0.96 -0.81 0.00 0.00 175.30 175.53 1iku s ILE 44 N 1.23 2.32 0.43 4.11 -4.36 -0.96 -4.38 121.20 119.59 1iku s ILE 44 Ca -0.02 -1.63 0.07 0.00 -0.26 0.00 0.00 60.65 58.81 1iku s ILE 44 Cb -0.14 -2.95 -0.03 0.00 1.25 0.00 0.00 42.46 40.59 1iku s ILE 44 CO -0.05 0.00 0.30 0.42 0.24 0.00 0.00 174.94 175.85 1iku s THR 45 N -2.59 2.40 0.19 8.37 -4.23 -1.26 -1.96 115.64 116.56 1iku s THR 45 Ca 0.41 -1.50 -0.03 0.00 -1.18 0.00 0.00 61.69 59.40 1iku s THR 45 Cb 0.02 -2.90 -0.06 0.00 1.34 0.00 0.00 72.50 70.91 1iku s THR 45 CO 0.23 0.00 1.50 0.08 -0.54 0.00 0.00 174.62 175.90 1iku h ARG 46 N 1.15 0.53 0.00 3.99 -0.00 -1.82 0.37 114.38 118.60 1iku h ARG 46 Ca -0.41 -0.34 -0.02 0.00 -0.00 0.00 0.00 59.98 59.20 1iku h ARG 46 Cb 1.27 0.04 -0.00 0.00 -0.00 0.00 0.00 29.97 31.27 1iku h ARG 46 CO 0.62 0.95 -0.10 0.37 -0.00 0.00 0.00 179.97 181.81 1iku h GLN 47 N 0.41 0.00 0.09 0.08 5.75 -1.95 -2.54 115.11 116.95 1iku h GLN 47 Ca 0.01 0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 58.17 1iku h GLN 47 Cb 1.10 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.63 1iku h GLN 47 CO 0.10 0.10 -1.83 0.39 -2.65 0.00 0.00 178.83 174.95 1iku n GLU 48 N -3.86 0.71 0.08 1.69 -0.58 -1.06 -4.03 120.64 113.59 1iku n GLU 48 Ca -0.02 0.34 -0.13 0.00 -0.42 0.00 0.00 57.16 56.93 1iku n GLU 48 Cb 0.20 -1.71 -0.07 0.00 -0.57 0.00 0.00 31.44 29.29 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 -0.22 -1.10 -0.93 -0.32 3.57 -0.71 -1.44 116.94 115.79 1iku h PHE 49 Ca -0.41 0.03 0.24 0.00 3.53 0.00 0.00 57.97 61.36 1iku h PHE 49 Cb 1.84 0.48 -0.13 0.00 2.79 0.00 0.00 35.95 40.93 1iku h PHE 49 CO 0.08 -0.48 0.43 0.37 -2.23 0.00 0.00 178.31 176.48 1iku h GLN 50 N -0.58 0.39 -0.23 1.11 5.75 -1.66 0.79 115.11 120.68 1iku h GLN 50 Ca 0.04 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1iku h GLN 50 Cb 0.64 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 1iku h GLN 50 CO -0.28 0.26 0.14 1.15 -2.65 0.00 0.00 178.83 177.44 1iku h THR 51 N 0.40 1.09 -0.78 2.39 2.02 -1.42 -1.62 112.91 115.00 1iku h THR 51 Ca 0.60 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.52 1iku h THR 51 Cb 1.17 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 68.38 1iku h THR 51 CO -0.54 0.09 0.41 0.40 0.37 0.00 0.00 175.52 176.24 1iku h ILE 52 N 0.28 1.24 -0.65 3.11 2.04 -0.31 0.11 117.51 123.33 1iku h ILE 52 Ca 0.08 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.35 1iku h ILE 52 Cb 0.03 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 1iku h ILE 52 CO -0.01 0.27 0.40 0.22 0.00 0.00 0.00 178.15 179.03 1iku h TYR 53 N 1.08 0.75 0.00 1.37 3.20 -0.75 -1.19 116.97 121.44 1iku h TYR 53 Ca 0.27 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1iku h TYR 53 Cb 0.06 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.09 1iku h TYR 53 CO 0.00 0.43 0.00 1.03 -1.64 0.00 0.00 178.16 177.98 1iku h SER 54 N 0.78 0.00 0.57 -2.11 0.87 -0.88 -2.68 113.55 110.11 1iku h SER 54 Ca 0.26 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 1iku h SER 54 Cb 0.02 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1iku h SER 54 CO -0.11 0.00 -0.27 0.50 -0.53 0.00 0.00 176.83 176.42 1iku h LYS 55 N 0.00 -0.74 -0.46 2.24 3.64 0.45 -3.32 116.57 118.39 1iku h LYS 55 Ca 0.00 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1iku h LYS 55 Cb 0.84 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1iku h LYS 55 CO 0.00 -0.49 -0.03 0.74 -2.27 0.00 0.00 179.45 177.40 1iku h PHE 56 N -1.14 0.91 -3.59 1.91 0.04 -1.56 -3.41 116.94 110.10 1iku h PHE 56 Ca -0.08 -0.17 -0.62 0.00 2.80 0.00 0.00 57.97 59.91 1iku h PHE 56 Cb 0.58 -0.23 -0.13 0.00 2.20 0.00 0.00 35.95 38.37 1iku h PHE 56 CO 0.01 0.89 -0.08 -0.06 -0.60 0.00 0.00 178.31 178.47 1iku s PHE 57 N -4.94 3.28 -0.53 -0.55 0.08 -1.01 -4.65 117.98 109.67 1iku s PHE 57 Ca -0.12 0.60 -0.26 0.00 0.12 0.00 0.00 56.93 57.27 1iku s PHE 57 Cb 0.11 -2.66 -0.07 0.00 -0.57 0.00 0.00 43.02 39.82 1iku s PHE 57 CO 0.82 -0.22 2.38 -1.25 -0.10 0.00 0.00 175.22 176.84 1iku s PRO 58 N 2.08 2.07 -1.48 0.24 0.04 -1.26 -3.42 135.00 133.26 1iku s PRO 58 Ca 0.20 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.48 1iku s PRO 58 Cb -0.16 -4.60 0.02 0.00 0.04 0.00 0.00 34.50 29.80 1iku s PRO 58 CO 0.09 -3.38 0.04 -1.91 0.04 0.00 0.00 177.00 171.88 1iku n GLU 59 N 9.00 -0.93 0.00 4.56 2.13 -1.26 -4.72 120.64 129.43 1iku n GLU 59 Ca 0.37 0.09 0.00 0.00 0.66 0.00 0.00 57.16 58.28 1iku n GLU 59 Cb 0.53 -3.45 0.00 0.00 0.27 0.00 0.00 31.44 28.79 1iku n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iku n ALA 60 N -4.35 2.42 -1.66 4.31 0.00 -1.22 -4.90 120.51 115.11 1iku n ALA 60 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1iku n ALA 60 Cb 0.64 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1iku n ALA 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iku n ASP 61 N 0.44 -7.13 0.20 0.00 2.03 -1.26 -4.49 116.55 106.34 1iku n ASP 61 Ca 0.00 1.02 0.06 0.00 0.52 0.00 0.00 54.79 56.39 1iku n ASP 61 Cb 0.42 -3.99 0.54 0.00 -0.72 0.00 0.00 41.12 37.37 1iku n ASP 61 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1iku h PRO 62 N 3.18 0.11 -1.97 -0.67 0.11 -1.95 -3.03 132.00 127.77 1iku h PRO 62 Ca 0.00 -0.01 -0.70 0.00 0.11 0.00 0.00 66.00 65.40 1iku h PRO 62 Cb 0.00 -0.02 -0.33 0.00 0.11 0.00 0.00 31.00 30.75 1iku h PRO 62 CO 0.00 0.14 0.31 1.63 -0.21 0.00 0.00 178.00 179.87 1iku n LYS 63 N -4.44 3.60 0.00 1.05 4.76 -1.26 -4.36 118.16 117.50 1iku n LYS 63 Ca -0.02 -4.25 0.00 0.00 -2.87 0.00 0.00 58.31 51.17 1iku n LYS 63 Cb 0.15 -2.30 0.00 0.00 -1.84 0.00 0.00 35.03 31.03 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 -0.37 0.00 -0.01 7.82 0.00 -1.15 -4.73 120.51 122.07 1iku n ALA 64 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.88 1iku n ALA 64 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 0.09 0.00 0.00 9.36 -1.26 -4.22 117.16 121.13 1iku n TYR 65 Ca 0.00 0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.26 1iku n TYR 65 Cb 0.00 -0.24 0.00 0.00 -0.63 0.00 0.00 39.34 38.47 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 -2.55 0.71 -0.31 2.98 0.00 -1.26 -3.05 120.51 117.04 1iku n ALA 66 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.58 1iku n ALA 66 Cb 0.05 -0.68 0.29 0.00 0.00 0.00 0.00 19.45 19.11 1iku n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iku n GLN 67 N -1.30 -0.07 0.00 0.00 10.64 -1.26 -0.88 117.38 124.52 1iku n GLN 67 Ca 0.00 1.33 -0.19 0.00 -1.83 0.00 0.00 57.00 56.31 1iku n GLN 67 Cb 0.14 -2.14 -0.14 0.00 -0.86 0.00 0.00 30.24 27.25 1iku n GLN 67 CO 0.00 0.00 0.00 -2.39 -1.83 0.00 0.00 177.06 172.84 1iku n HIS 68 N -5.27 1.22 -0.33 2.61 1.44 -1.17 -4.04 115.22 109.68 1iku n HIS 68 Ca 0.22 0.28 -0.06 0.00 -2.01 0.00 0.00 57.72 56.16 1iku n HIS 68 Cb 0.74 -1.17 -0.02 0.00 0.12 0.00 0.00 29.99 29.66 1iku n HIS 68 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1iku h VAL 69 N 0.06 0.03 0.01 0.61 2.07 -1.20 0.31 116.25 118.15 1iku h VAL 69 Ca -0.40 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1iku h VAL 69 Cb 2.03 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1iku h VAL 69 CO 0.09 0.00 -0.00 0.15 0.02 0.00 0.00 177.57 177.82 1iku h PHE 70 N -0.09 -0.01 -1.75 1.57 3.04 -1.64 -2.35 116.94 115.72 1iku h PHE 70 Ca 0.24 -0.00 0.52 0.00 3.98 0.00 0.00 57.97 62.70 1iku h PHE 70 Cb 0.54 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 38.97 1iku h PHE 70 CO -0.85 -0.01 1.24 0.00 -2.02 0.00 0.00 178.31 176.67 1iku h ARG 71 N -0.01 0.01 -0.28 1.11 3.08 -1.61 0.73 114.38 117.40 1iku h ARG 71 Ca -0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1iku h ARG 71 Cb 0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1iku h ARG 71 CO 0.00 0.01 0.12 1.03 -1.07 0.00 0.00 179.97 180.06 1iku h SER 72 N 0.01 0.38 0.03 7.04 0.87 0.15 -1.29 113.55 120.74 1iku h SER 72 Ca 0.86 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 61.28 1iku h SER 72 Cb 3.35 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 65.21 1iku h SER 72 CO -0.08 0.42 0.00 0.49 -0.53 0.00 0.00 176.83 177.13 1iku n PHE 73 N -4.77 0.00 -1.23 2.24 3.01 0.25 -4.88 117.46 112.08 1iku n PHE 73 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1iku n PHE 73 Cb 0.12 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.10 1iku n PHE 73 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1iku n ASP 74 N -1.49 -6.43 0.00 4.37 8.00 -0.49 -4.97 116.55 115.54 1iku n ASP 74 Ca 0.00 0.82 0.00 0.00 0.71 0.00 0.00 54.79 56.32 1iku n ASP 74 Cb 0.01 -2.91 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 1iku n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iku n ALA 75 N 0.44 0.28 -1.00 2.24 0.00 -1.26 -4.65 120.51 116.56 1iku n ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iku n ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1iku n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1iku n ASN 76 N 0.00 -0.75 -3.98 0.00 4.13 -1.26 -2.71 115.26 110.68 1iku n ASN 76 Ca 0.00 -0.49 -0.37 0.00 1.68 0.00 0.00 54.58 55.40 1iku n ASN 76 Cb 0.17 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 1iku n ASN 76 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1iku n SER 77 N -2.62 -3.03 -3.29 6.41 2.88 -1.26 -2.91 113.62 109.80 1iku n SER 77 Ca 0.00 -1.17 -0.24 0.00 -1.33 0.00 0.00 58.87 56.13 1iku n SER 77 Cb 0.00 -2.36 0.02 0.00 -0.75 0.00 0.00 64.21 61.12 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 -2.55 -6.26 -1.70 -3.46 9.92 -1.26 -5.00 116.55 106.24 1iku n ASP 78 Ca -0.17 0.17 -0.05 0.00 -0.53 0.00 0.00 54.79 54.20 1iku n ASP 78 Cb 0.61 -2.43 -0.02 0.00 -0.64 0.00 0.00 41.12 38.65 1iku n ASP 78 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1iku n GLY 79 N 0.18 3.07 3.22 0.44 0.00 -1.10 -5.13 105.19 105.87 1iku n GLY 79 Ca -0.03 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 1iku n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 80 N -2.53 0.10 0.13 2.61 -4.23 -1.26 -4.52 115.64 105.95 1iku s THR 80 Ca 0.11 -0.85 -0.02 0.00 -1.18 0.00 0.00 61.69 59.74 1iku s THR 80 Cb -0.00 -1.03 -0.03 0.00 1.34 0.00 0.00 72.50 72.78 1iku s THR 80 CO 0.08 -0.47 0.09 -1.48 -0.54 0.00 0.00 174.62 172.30 1iku s LEU 81 N -2.28 1.66 0.30 4.79 0.05 -0.83 -4.87 118.68 117.51 1iku s LEU 81 Ca -0.02 -1.13 -0.29 0.00 0.05 0.00 0.00 54.13 52.73 1iku s LEU 81 Cb 0.00 0.46 -0.10 0.00 -2.05 0.00 0.00 46.19 44.50 1iku s LEU 81 CO -0.06 -0.75 1.19 -1.81 -0.55 0.00 0.00 176.35 174.37 1iku s ASP 82 N -3.03 7.04 -0.07 1.48 1.11 -1.26 -2.25 116.67 119.69 1iku s ASP 82 Ca 0.22 2.45 -0.07 0.00 0.18 0.00 0.00 52.55 55.33 1iku s ASP 82 Cb 0.07 -2.64 -0.28 0.00 1.07 0.00 0.00 42.92 41.14 1iku s ASP 82 CO 0.01 -0.32 0.57 0.15 1.18 0.00 0.00 175.17 176.76 1iku h PHE 83 N 3.61 0.56 0.22 4.23 3.57 -1.94 -3.29 116.94 123.90 1iku h PHE 83 Ca -0.48 -0.41 0.00 0.00 3.53 0.00 0.00 57.97 60.62 1iku h PHE 83 Cb 1.22 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1iku h PHE 83 CO 0.57 1.65 -0.23 0.87 -2.23 0.00 0.00 178.31 178.95 1iku h LYS 84 N 0.08 -0.46 -0.94 1.11 1.57 -1.92 -0.84 116.57 115.18 1iku h LYS 84 Ca -0.36 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.57 1iku h LYS 84 Cb 2.06 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 34.39 1iku h LYS 84 CO 0.14 -0.31 0.56 0.93 -0.57 0.00 0.00 179.45 180.20 1iku h GLU 85 N -0.48 0.86 -0.64 3.15 4.39 -1.98 -0.51 114.58 119.37 1iku h GLU 85 Ca 0.00 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1iku h GLU 85 Cb 0.45 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1iku h GLU 85 CO -0.06 0.57 0.37 -0.92 -1.16 0.00 0.00 179.01 177.81 1iku h TYR 86 N 0.89 0.87 -0.15 4.33 3.20 -1.47 -1.99 116.97 122.64 1iku h TYR 86 Ca 0.47 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.32 1iku h TYR 86 Cb 0.48 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1iku h TYR 86 CO -0.03 0.61 0.08 0.28 -1.64 0.00 0.00 178.16 177.46 1iku h VAL 87 N 0.87 1.12 0.41 1.81 2.07 0.28 -1.38 116.25 121.43 1iku h VAL 87 Ca 0.23 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1iku h VAL 87 Cb 0.02 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1iku h VAL 87 CO -0.04 0.11 -0.47 0.40 0.02 0.00 0.00 177.57 177.60 1iku h ILE 88 N 0.13 0.00 -0.13 4.57 2.04 -0.98 0.74 117.51 123.87 1iku h ILE 88 Ca 0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1iku h ILE 88 Cb 0.11 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1iku h ILE 88 CO -0.01 0.00 0.24 0.00 0.00 0.00 0.00 178.15 178.38 1iku h ALA 89 N -0.93 1.59 0.00 1.87 0.00 -1.36 0.57 119.26 121.01 1iku h ALA 89 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1iku h ALA 89 Cb 0.78 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1iku h ALA 89 CO -0.09 -0.31 -0.72 1.25 0.00 0.00 0.00 179.25 179.38 1iku h LEU 90 N 0.00 0.00 0.00 0.00 7.12 0.13 -3.37 115.31 119.20 1iku h LEU 90 Ca 0.06 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1iku h LEU 90 Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 1iku h LEU 90 CO -0.00 0.01 -0.32 1.41 -0.13 0.00 0.00 178.44 179.41 1iku n HIS 91 N -2.72 0.52 0.00 1.25 8.25 0.24 -4.70 115.22 118.06 1iku n HIS 91 Ca 0.01 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1iku n HIS 91 Cb 0.53 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1iku n HIS 91 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1iku n MET 92 N -3.65 0.00 -1.55 -0.41 1.56 -0.25 -3.74 117.12 109.09 1iku n MET 92 Ca -0.04 0.54 -0.18 0.00 -0.27 0.00 0.00 57.70 57.75 1iku n MET 92 Cb 0.16 -1.08 -0.10 0.00 2.15 0.00 0.00 33.22 34.36 1iku n MET 92 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1iku n THR 93 N -1.27 -0.01 0.00 1.12 5.66 -1.26 -4.74 114.28 113.79 1iku n THR 93 Ca 0.00 -0.52 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 1iku n THR 93 Cb 0.00 -1.67 0.00 0.00 -1.55 0.00 0.00 70.33 67.11 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 15.80 0.00 0.00 1.09 7.64 -1.25 -4.90 113.62 132.00 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 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.33 0.00 -2.34 -0.43 0.00 -1.26 -4.89 120.51 111.26 1iku n ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iku n ALA 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1iku n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iku n GLY 96 N 0.00 4.00 1.45 0.00 0.00 -1.26 -5.11 105.19 104.26 1iku n GLY 96 Ca 0.00 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.36 0.00 1.61 4.76 -1.26 -4.75 118.16 115.15 1iku n LYS 97 Ca 0.00 2.72 0.00 0.00 -2.87 0.00 0.00 58.31 58.16 1iku n LYS 97 Cb 0.00 -3.78 0.00 0.00 -1.84 0.00 0.00 35.03 29.41 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 -3.88 0.00 0.01 -0.18 -1.04 -1.26 -4.55 114.28 103.38 1iku n THR 98 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1iku n THR 98 Cb 0.61 -0.73 0.02 0.00 -1.82 0.00 0.00 70.33 68.40 1iku n THR 98 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1iku n ASN 99 N -1.22 0.01 0.07 8.00 3.02 -1.26 0.42 115.26 124.30 1iku n ASN 99 Ca 0.00 0.18 -0.14 0.00 -0.03 0.00 0.00 54.58 54.59 1iku n ASN 99 Cb 0.00 -0.17 -0.14 0.00 -0.61 0.00 0.00 39.78 38.86 1iku n ASN 99 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1iku h GLN 100 N 0.00 0.18 0.03 3.52 4.15 -1.91 -3.26 115.11 117.84 1iku h GLN 100 Ca 0.00 -0.31 -0.32 0.00 0.77 0.00 0.00 58.65 58.79 1iku h GLN 100 Cb 0.70 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.47 1iku h GLN 100 CO 0.00 1.08 -1.82 1.63 -1.93 0.00 0.00 178.83 177.79 1iku n LYS 101 N -3.43 0.67 0.36 1.69 5.02 0.17 -4.03 118.16 118.62 1iku n LYS 101 Ca -0.10 0.28 -0.15 0.00 -2.02 0.00 0.00 58.31 56.32 1iku n LYS 101 Cb 1.02 -1.76 -0.07 0.00 -0.02 0.00 0.00 35.03 34.20 1iku n LYS 101 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1iku h LEU 102 N 0.02 -0.80 -1.44 -0.35 3.38 -1.64 -1.89 115.31 112.59 1iku h LEU 102 Ca -0.34 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.05 1iku h LEU 102 Cb 2.03 0.21 -0.11 0.00 0.09 0.00 0.00 40.66 42.87 1iku h LEU 102 CO 0.08 -0.49 0.82 -0.33 0.09 0.00 0.00 178.44 178.61 1iku h GLU 103 N -1.12 0.15 -0.10 1.13 5.08 -1.77 0.68 114.58 118.64 1iku h GLU 103 Ca -0.10 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1iku h GLU 103 Cb 0.73 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1iku h GLU 103 CO 0.16 0.10 -0.03 2.35 -1.00 0.00 0.00 179.01 180.59 1iku h TRP 104 N 0.15 0.21 -0.15 4.33 7.01 -1.64 0.11 115.95 125.98 1iku h TRP 104 Ca 0.76 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.70 1iku h TRP 104 Cb 2.33 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 29.33 1iku h TRP 104 CO -0.00 0.51 0.08 0.00 -2.79 0.00 0.00 178.44 176.23 1iku h ALA 105 N 0.67 0.19 -0.68 2.65 0.00 0.11 0.10 119.26 122.30 1iku h ALA 105 Ca 0.02 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1iku h ALA 105 Cb 0.44 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1iku h ALA 105 CO 0.01 -0.26 0.45 0.35 0.00 0.00 0.00 179.25 179.80 1iku h PHE 106 N 0.13 0.85 -0.23 0.00 3.04 -0.78 -1.55 116.94 118.39 1iku h PHE 106 Ca 0.05 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.96 1iku h PHE 106 Cb 0.10 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.31 1iku h PHE 106 CO -0.03 0.52 -0.14 0.77 -2.02 0.00 0.00 178.31 177.41 1iku h SER 107 N 0.91 0.37 0.14 0.41 0.02 -0.66 0.23 113.55 114.97 1iku h SER 107 Ca 0.26 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1iku h SER 107 Cb -0.08 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1iku h SER 107 CO -0.07 0.54 -0.19 0.25 -1.14 0.00 0.00 176.83 176.22 1iku h LEU 108 N 0.36 0.10 -0.08 5.07 5.85 0.18 -2.34 115.31 124.45 1iku h LEU 108 Ca 0.07 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1iku h LEU 108 Cb 0.46 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1iku h LEU 108 CO 0.03 0.30 -0.74 -1.22 -0.34 0.00 0.00 178.44 176.47 1iku n TYR 109 N -4.26 0.00 0.63 1.25 4.01 -0.79 -4.20 117.16 113.80 1iku n TYR 109 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1iku n TYR 109 Cb 0.28 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1iku n TYR 109 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1iku n ASP 110 N -1.38 1.48 -0.11 7.72 -0.08 0.00 -3.03 116.55 121.16 1iku n ASP 110 Ca 0.05 -1.26 -0.24 0.00 -1.51 0.00 0.00 54.79 51.83 1iku n ASP 110 Cb 0.34 -0.32 -0.11 0.00 2.34 0.00 0.00 41.12 43.37 1iku n ASP 110 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1iku n VAL 111 N 0.52 1.55 -0.50 5.18 0.24 -1.26 -4.55 118.33 119.52 1iku n VAL 111 Ca 0.00 -0.20 0.04 0.00 -2.04 0.00 0.00 64.34 62.14 1iku n VAL 111 Cb 0.26 -1.95 0.05 0.00 -1.47 0.00 0.00 33.84 30.74 1iku n VAL 111 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1iku n ASP 112 N -4.26 2.02 -1.15 -1.34 2.03 -1.21 -4.61 116.55 108.03 1iku n ASP 112 Ca -0.39 -2.39 0.10 0.00 0.52 0.00 0.00 54.79 52.64 1iku n ASP 112 Cb 0.78 -0.17 0.28 0.00 -0.72 0.00 0.00 41.12 41.29 1iku n ASP 112 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1iku n GLY 113 N -0.83 1.90 2.34 0.27 0.00 -1.17 -4.92 105.19 102.78 1iku n GLY 113 Ca 0.06 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 1iku n GLY 113 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iku n ASN 114 N 1.33 -4.25 0.00 1.61 4.13 -1.26 0.16 115.26 116.98 1iku n ASN 114 Ca 0.21 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.67 1iku n ASN 114 Cb 0.53 -3.68 0.00 0.00 -1.54 0.00 0.00 39.78 35.10 1iku n ASN 114 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1iku n GLY 115 N -0.69 0.79 3.28 7.41 0.00 -1.26 -5.05 105.19 109.67 1iku n GLY 115 Ca -0.16 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 1iku n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 116 N -2.00 0.00 0.07 2.61 -4.23 0.12 -4.19 115.64 108.01 1iku s THR 116 Ca 0.00 -1.89 -0.01 0.00 -1.18 0.00 0.00 61.69 58.61 1iku s THR 116 Cb 0.00 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 1iku s THR 116 CO 0.00 0.00 -0.02 -0.51 -0.54 0.00 0.00 174.62 173.55 1iku s ILE 117 N -4.10 0.22 0.28 2.99 2.07 -0.81 -4.31 121.20 117.54 1iku s ILE 117 Ca 0.36 -1.83 0.02 0.00 -1.41 0.00 0.00 60.65 57.79 1iku s ILE 117 Cb 0.05 -1.61 -0.05 0.00 0.13 0.00 0.00 42.46 40.98 1iku s ILE 117 CO 0.12 -0.91 0.10 -0.55 -1.91 0.00 0.00 174.94 171.79 1iku s SER 118 N -2.95 1.39 0.13 4.50 0.15 -1.26 -0.72 113.70 114.94 1iku s SER 118 Ca 0.10 -1.42 -0.32 0.00 0.70 0.00 0.00 55.95 55.01 1iku s SER 118 Cb 0.08 0.19 -0.09 0.00 -1.71 0.00 0.00 66.02 64.48 1iku s SER 118 CO -0.08 -0.75 1.55 0.50 1.20 0.00 0.00 173.24 175.66 1iku h LYS 119 N 2.32 -0.41 -0.98 5.44 3.11 -1.94 -0.08 116.57 124.03 1iku h LYS 119 Ca -0.38 0.03 0.40 0.00 -2.81 0.00 0.00 60.65 57.89 1iku h LYS 119 Cb 1.25 0.09 -0.18 0.00 -1.00 0.00 0.00 32.23 32.40 1iku h LYS 119 CO 0.60 -0.28 0.49 0.27 -2.81 0.00 0.00 179.45 177.72 1iku n ASN 120 N -5.40 0.31 -0.15 4.20 6.94 -1.26 0.18 115.26 120.07 1iku n ASN 120 Ca -0.04 1.62 -0.11 0.00 -0.02 0.00 0.00 54.58 56.04 1iku n ASN 120 Cb 0.35 -0.78 -0.01 0.00 -2.36 0.00 0.00 39.78 36.99 1iku n ASN 120 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1iku h GLU 121 N 0.00 0.90 -0.91 -3.83 4.39 -1.43 -2.44 114.58 111.27 1iku h GLU 121 Ca 0.81 -0.37 -0.00 0.00 0.34 0.00 0.00 59.36 60.14 1iku h GLU 121 Cb 2.12 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 30.69 1iku h GLU 121 CO -0.76 1.03 0.56 0.28 -1.16 0.00 0.00 179.01 178.95 1iku h VAL 122 N 0.74 1.25 -0.68 3.13 2.07 0.22 -1.96 116.25 121.01 1iku h VAL 122 Ca 0.11 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.14 1iku h VAL 122 Cb 0.73 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1iku h VAL 122 CO 0.06 0.25 0.42 0.25 0.02 0.00 0.00 177.57 178.57 1iku h LEU 123 N 1.25 0.70 -0.26 2.57 5.85 -0.85 -0.88 115.31 123.67 1iku h LEU 123 Ca 0.33 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.09 1iku h LEU 123 Cb -0.08 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1iku h LEU 123 CO -0.06 0.48 0.02 -0.33 -0.34 0.00 0.00 178.44 178.21 1iku h GLU 124 N 0.83 0.11 0.23 1.25 5.08 -0.89 0.39 114.58 121.58 1iku h GLU 124 Ca 0.27 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1iku h GLU 124 Cb 0.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1iku h GLU 124 CO -0.11 0.07 -0.22 0.82 -1.00 0.00 0.00 179.01 178.58 1iku h ILE 125 N 0.11 0.53 -0.86 3.13 2.04 -1.04 0.90 117.51 122.33 1iku h ILE 125 Ca 0.12 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.10 1iku h ILE 125 Cb 0.15 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.70 1iku h ILE 125 CO -0.19 0.00 0.56 0.58 0.00 0.00 0.00 178.15 179.10 1iku h VAL 126 N -0.48 0.90 -0.28 1.67 2.07 -0.75 0.46 116.25 119.85 1iku h VAL 126 Ca -0.01 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1iku h VAL 126 Cb 0.44 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1iku h VAL 126 CO -0.04 0.14 -0.27 0.74 0.02 0.00 0.00 177.57 178.16 1iku h THR 127 N 0.75 1.27 -0.15 2.57 2.02 0.72 0.14 112.91 120.23 1iku h THR 127 Ca 0.41 -1.33 0.01 0.00 0.77 0.00 0.00 66.41 66.27 1iku h THR 127 Cb 0.55 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1iku h THR 127 CO -0.18 0.43 0.06 0.00 0.37 0.00 0.00 175.52 176.20 1iku h ALA 128 N 1.23 0.17 -0.14 6.16 0.00 0.14 0.79 119.26 127.60 1iku h ALA 128 Ca 0.07 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1iku h ALA 128 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1iku h ALA 128 CO 0.06 -0.37 -0.45 0.82 0.00 0.00 0.00 179.25 179.30 1iku h ILE 129 N 0.14 1.35 -0.50 0.00 2.04 -1.28 -2.80 117.51 116.47 1iku h ILE 129 Ca 0.06 -1.74 0.08 0.00 1.00 0.00 0.00 64.86 64.26 1iku h ILE 129 Cb 0.02 2.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 1iku h ILE 129 CO -0.05 0.53 0.15 0.15 0.00 0.00 0.00 178.15 178.93 1iku h PHE 130 N 0.18 0.26 -0.90 1.37 3.57 -0.53 0.79 116.94 121.69 1iku h PHE 130 Ca -0.02 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.59 1iku h PHE 130 Cb 1.08 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.71 1iku h PHE 130 CO 0.10 0.06 0.55 0.87 -2.23 0.00 0.00 178.31 177.66 1iku h LYS 131 N 0.31 0.94 -0.55 1.11 1.57 -0.83 0.21 116.57 119.34 1iku h LYS 131 Ca 0.25 -0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.06 1iku h LYS 131 Cb 0.30 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1iku h LYS 131 CO -0.28 0.62 0.37 0.00 -0.57 0.00 0.00 179.45 179.59 1iku h MET 132 N 0.97 0.35 -6.32 3.15 -0.00 -0.59 -3.36 114.93 109.13 1iku h MET 132 Ca 0.41 -0.02 -0.57 0.00 -0.00 0.00 0.00 59.70 59.51 1iku h MET 132 Cb 0.25 -0.08 -0.09 0.00 -0.00 0.00 0.00 31.60 31.68 1iku h MET 132 CO -0.20 0.23 0.83 0.42 -0.00 0.00 0.00 176.91 178.19 1iku s ILE 133 N -5.35 4.15 0.28 -0.10 1.01 0.75 -4.95 121.20 116.99 1iku s ILE 133 Ca -0.07 0.67 -0.26 0.00 0.00 0.00 0.00 60.65 60.99 1iku s ILE 133 Cb 0.19 -4.66 -0.16 0.00 0.01 0.00 0.00 42.46 37.84 1iku s ILE 133 CO 0.74 -1.27 0.52 -0.24 0.00 0.00 0.00 174.94 174.70 1iku n SER 134 N 8.10 -1.08 0.10 3.58 2.88 -1.26 -4.67 113.62 121.27 1iku n SER 134 Ca 0.06 1.05 0.04 0.00 -1.33 0.00 0.00 58.87 58.69 1iku n SER 134 Cb 0.48 -1.02 0.23 0.00 -0.75 0.00 0.00 64.21 63.16 1iku n SER 134 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1iku n PRO 135 N 0.96 0.06 -0.07 -1.46 -0.02 -1.26 -2.02 135.00 131.18 1iku n PRO 135 Ca 0.15 0.48 -0.05 0.00 -2.02 0.00 0.00 63.50 62.06 1iku n PRO 135 Cb 0.31 -1.90 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 1iku n PRO 135 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1iku n GLU 136 N -1.78 0.44 0.24 -0.52 -0.58 -1.26 -4.08 120.64 113.11 1iku n GLU 136 Ca -0.01 0.51 0.10 0.00 -0.42 0.00 0.00 57.16 57.35 1iku n GLU 136 Cb 0.22 -1.66 0.53 0.00 -0.57 0.00 0.00 31.44 29.96 1iku n GLU 136 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1iku h ASP 137 N -0.98 0.00 0.00 1.62 5.19 -1.73 0.80 116.42 121.32 1iku h ASP 137 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1iku h ASP 137 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1iku h ASP 137 CO 0.00 0.00 0.09 0.41 -3.12 0.00 0.00 179.24 176.62 1iku n THR 138 N -2.42 1.33 0.25 0.35 -1.04 -0.91 -0.80 114.28 111.05 1iku n THR 138 Ca -0.01 0.61 0.03 0.00 -2.04 0.00 0.00 64.05 62.63 1iku n THR 138 Cb 0.38 -1.61 0.14 0.00 -1.82 0.00 0.00 70.33 67.42 1iku n THR 138 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1iku n LYS 139 N -1.76 0.07 0.08 -2.82 4.81 0.27 -1.38 118.16 117.43 1iku n LYS 139 Ca -0.01 0.25 -0.03 0.00 -0.87 0.00 0.00 58.31 57.65 1iku n LYS 139 Cb 0.10 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.59 1iku n LYS 139 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1iku h HIS 140 N 0.00 0.00 -3.88 5.64 3.86 -1.23 -3.45 115.15 116.09 1iku h HIS 140 Ca 0.00 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.74 1iku h HIS 140 Cb 0.05 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 1iku h HIS 140 CO 0.00 0.78 0.21 -0.51 0.86 0.00 0.00 177.93 179.27 1iku s LEU 141 N -6.51 3.98 0.00 2.43 1.43 -0.48 -5.06 118.68 114.48 1iku s LEU 141 Ca 0.01 1.45 -0.12 0.00 -1.03 0.00 0.00 54.13 54.44 1iku s LEU 141 Cb 0.09 -4.28 0.19 0.00 0.03 0.00 0.00 46.19 42.22 1iku s LEU 141 CO 0.79 -0.29 0.44 -0.81 0.23 0.00 0.00 176.35 176.71 1iku n PRO 142 N -0.58 -3.28 0.00 1.29 -0.04 -1.26 -4.92 135.00 126.21 1iku n PRO 142 Ca 0.05 -0.74 0.13 0.00 -0.04 0.00 0.00 63.50 62.90 1iku n PRO 142 Cb 0.54 -0.99 0.27 0.00 -0.04 0.00 0.00 33.50 33.27 1iku n PRO 142 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1iku n GLU 143 N -3.76 1.86 -0.15 0.54 1.02 -1.26 -3.97 120.64 114.92 1iku n GLU 143 Ca 0.07 -1.38 0.06 0.00 -0.02 0.00 0.00 57.16 55.89 1iku n GLU 143 Cb 0.30 -1.47 0.18 0.00 -0.02 0.00 0.00 31.44 30.43 1iku n GLU 143 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1iku n ASP 144 N 0.63 1.66 -2.75 1.62 5.68 -1.26 -4.17 116.55 117.96 1iku n ASP 144 Ca 0.15 -1.95 -0.09 0.00 -0.50 0.00 0.00 54.79 52.40 1iku n ASP 144 Cb 0.48 -0.19 0.09 0.00 -1.14 0.00 0.00 41.12 40.35 1iku n ASP 144 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1iku n GLU 145 N 0.39 1.07 -0.00 0.11 0.28 -1.25 -4.68 120.64 116.55 1iku n GLU 145 Ca 0.11 -2.04 0.11 0.00 -0.16 0.00 0.00 57.16 55.19 1iku n GLU 145 Cb 0.27 -0.82 0.66 0.00 1.43 0.00 0.00 31.44 32.98 1iku n GLU 145 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1iku n ASN 146 N 0.09 0.03 -3.79 -1.84 2.85 -1.26 -4.76 115.26 106.58 1iku n ASN 146 Ca 0.05 -1.31 -0.13 0.00 -0.11 0.00 0.00 54.58 53.09 1iku n ASN 146 Cb 0.74 -0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.66 1iku n ASN 146 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1iku s THR 147 N -2.00 0.05 0.67 -0.44 -4.23 -1.26 -5.01 115.64 103.42 1iku s THR 147 Ca 0.34 -0.41 0.39 0.00 -1.18 0.00 0.00 61.69 60.82 1iku s THR 147 Cb 0.15 -0.53 0.39 0.00 1.34 0.00 0.00 72.50 73.86 1iku s THR 147 CO 0.26 -0.23 2.21 1.55 -0.54 0.00 0.00 174.62 177.87 1iku h PRO 148 N 4.35 0.00 0.19 3.99 0.13 -1.92 0.10 132.00 138.83 1iku h PRO 148 Ca -0.29 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.51 1iku h PRO 148 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1iku h PRO 148 CO 0.38 0.00 -1.54 0.93 -0.23 0.00 0.00 178.00 177.54 1iku h GLU 149 N 0.00 0.39 -0.04 0.86 3.07 -1.94 -2.41 114.58 114.51 1iku h GLU 149 Ca 0.00 -0.67 -0.19 0.00 -0.50 0.00 0.00 59.36 58.00 1iku h GLU 149 Cb 0.25 0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1iku h GLU 149 CO -0.00 1.30 -0.79 -0.22 -1.40 0.00 0.00 179.01 177.90 1iku h LYS 150 N 0.11 0.31 -0.15 2.33 1.63 -1.46 -1.67 116.57 117.67 1iku h LYS 150 Ca -0.26 -0.29 -0.07 0.00 -0.85 0.00 0.00 60.65 59.19 1iku h LYS 150 Cb 2.09 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 33.78 1iku h LYS 150 CO 0.21 0.95 -0.17 -0.09 -3.45 0.00 0.00 179.45 176.91 1iku h ARG 151 N 0.20 0.37 0.00 1.90 2.43 -1.16 -2.78 114.38 115.34 1iku h ARG 151 Ca -0.04 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 58.87 1iku h ARG 151 Cb 1.38 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 1iku h ARG 151 CO 0.13 0.77 -0.28 0.00 -1.51 0.00 0.00 179.97 179.07 1iku h ALA 152 N 0.60 1.29 -0.39 2.80 0.00 -1.45 -2.64 119.26 119.46 1iku h ALA 152 Ca 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1iku h ALA 152 Cb 0.71 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1iku h ALA 152 CO 0.04 0.35 0.20 0.93 0.00 0.00 0.00 179.25 180.77 1iku h GLU 153 N 0.00 0.56 0.80 0.00 4.39 -1.12 0.13 114.58 119.33 1iku h GLU 153 Ca -0.00 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1iku h GLU 153 Cb 0.59 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1iku h GLU 153 CO 0.04 0.48 -0.39 0.87 -1.16 0.00 0.00 179.01 178.85 1iku h LYS 154 N 0.50 -1.04 -0.89 2.33 1.79 -1.21 0.66 116.57 118.71 1iku h LYS 154 Ca 0.14 0.07 0.18 0.00 -2.18 0.00 0.00 60.65 58.86 1iku h LYS 154 Cb 0.10 0.24 -0.07 0.00 -1.58 0.00 0.00 32.23 30.91 1iku h LYS 154 CO -0.02 -0.69 0.58 0.82 -1.08 0.00 0.00 179.45 179.06 1iku h ILE 155 N -1.10 0.73 0.00 1.86 2.04 -1.41 0.30 117.51 119.93 1iku h ILE 155 Ca -0.11 -0.17 -0.18 0.00 1.00 0.00 0.00 64.86 65.40 1iku h ILE 155 Cb 0.83 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1iku h ILE 155 CO 0.18 0.09 -0.85 -0.25 0.00 0.00 0.00 178.15 177.32 1iku h TRP 156 N 0.51 0.01 0.00 1.37 2.91 -0.24 -1.27 115.95 119.24 1iku h TRP 156 Ca 0.46 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.43 1iku h TRP 156 Cb 1.00 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.64 1iku h TRP 156 CO -0.00 0.85 -0.22 0.78 -1.03 0.00 0.00 178.44 178.82 1iku h GLY 157 N 2.53 0.00 0.67 2.65 0.00 0.40 -2.41 103.07 106.90 1iku h GLY 157 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.97 1iku h GLY 157 CO 0.11 0.00 -1.95 0.69 0.00 0.00 0.00 176.54 175.39 1iku n PHE 158 N -3.62 1.23 0.07 5.60 3.72 -0.54 -4.35 117.46 119.56 1iku n PHE 158 Ca -0.01 0.28 -0.03 0.00 -0.05 0.00 0.00 57.45 57.64 1iku n PHE 158 Cb 0.35 -1.17 -0.01 0.00 -0.94 0.00 0.00 39.48 37.71 1iku n PHE 158 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 1iku h PHE 159 N 0.06 -0.18 0.00 1.38 0.04 -1.08 -3.46 116.94 113.71 1iku h PHE 159 Ca -0.40 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.36 1iku h PHE 159 Cb 2.03 0.06 0.00 0.00 2.20 0.00 0.00 35.95 40.24 1iku h PHE 159 CO 0.07 -0.11 0.00 0.41 -0.60 0.00 0.00 178.31 178.08 1iku n GLY 160 N -1.09 0.29 1.94 -1.45 0.00 -0.92 -5.09 105.19 98.86 1iku n GLY 160 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1iku n GLY 160 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1iku n LYS 161 N 0.00 0.00 -0.73 1.61 0.00 -1.21 -4.92 118.16 112.91 1iku n LYS 161 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1iku n LYS 161 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1iku n LYS 161 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1iku n LYS 162 N -2.46 0.00 -1.14 1.64 4.76 -1.26 -4.19 118.16 115.52 1iku n LYS 162 Ca 0.00 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.06 1iku n LYS 162 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 1iku n LYS 162 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1iku n ASP 163 N -1.07 3.59 -2.67 4.39 -0.08 -1.26 -4.10 116.55 115.36 1iku n ASP 163 Ca 0.00 -2.61 -0.04 0.00 -1.51 0.00 0.00 54.79 50.64 1iku n ASP 163 Cb 0.00 -1.21 0.11 0.00 2.34 0.00 0.00 41.12 42.36 1iku n ASP 163 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1iku n ASP 164 N 6.29 -1.27 -3.60 1.67 2.03 -1.26 -5.08 116.55 115.32 1iku n ASP 164 Ca 0.50 -1.90 -0.05 0.00 0.52 0.00 0.00 54.79 53.86 1iku n ASP 164 Cb 0.33 1.10 -0.01 0.00 -0.72 0.00 0.00 41.12 41.83 1iku n ASP 164 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1iku s ASP 165 N -0.25 -0.15 0.21 1.67 -1.08 -1.26 -4.96 116.67 110.85 1iku s ASP 165 Ca 0.21 -0.62 0.02 0.00 -0.52 0.00 0.00 52.55 51.65 1iku s ASP 165 Cb 0.28 0.62 -0.05 0.00 -1.46 0.00 0.00 42.92 42.31 1iku s ASP 165 CO -0.18 -1.17 0.02 -0.54 0.52 0.00 0.00 175.17 173.83 1iku s LYS 166 N -3.17 1.25 -0.05 4.34 3.01 -1.26 -4.26 119.74 119.61 1iku s LYS 166 Ca 0.14 -1.63 0.01 0.00 -1.01 0.00 0.00 55.97 53.48 1iku s LYS 166 Cb -0.03 -0.37 0.02 0.00 -1.01 0.00 0.00 37.83 36.44 1iku s LYS 166 CO 0.06 -0.16 -0.05 -0.51 0.51 0.00 0.00 175.35 175.19 1iku s LEU 167 N -3.25 1.34 0.63 3.17 1.43 0.10 -4.94 118.68 117.15 1iku s LEU 167 Ca 0.29 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.23 1iku s LEU 167 Cb 0.06 -0.48 0.06 0.00 0.03 0.00 0.00 46.19 45.86 1iku s LEU 167 CO 0.08 -0.05 0.89 0.42 0.23 0.00 0.00 176.35 177.92 1iku s THR 168 N 0.92 2.46 0.24 5.49 -4.23 -1.26 -1.92 115.64 117.33 1iku s THR 168 Ca -0.11 -0.51 -0.15 0.00 -1.18 0.00 0.00 61.69 59.74 1iku s THR 168 Cb -0.14 -2.95 0.28 0.00 1.34 0.00 0.00 72.50 71.03 1iku s THR 168 CO 0.00 0.00 1.52 -0.62 -0.54 0.00 0.00 174.62 174.98 1iku n GLU 169 N -2.62 -0.20 0.28 3.99 1.02 -1.26 -1.39 120.64 120.45 1iku n GLU 169 Ca 0.09 1.51 -0.13 0.00 -0.02 0.00 0.00 57.16 58.61 1iku n GLU 169 Cb 0.60 -2.25 -0.07 0.00 -0.02 0.00 0.00 31.44 29.71 1iku n GLU 169 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1iku h LYS 170 N 0.00 -0.72 -0.91 3.49 1.79 -1.96 -2.77 116.57 115.48 1iku h LYS 170 Ca 0.37 0.05 0.12 0.00 -2.18 0.00 0.00 60.65 59.01 1iku h LYS 170 Cb 0.61 0.16 -0.14 0.00 -1.58 0.00 0.00 32.23 31.29 1iku h LYS 170 CO -0.98 -0.43 -0.41 0.39 -1.08 0.00 0.00 179.45 176.94 1iku n GLU 171 N -5.29 -0.27 0.00 3.15 -0.58 -0.72 0.10 120.64 117.04 1iku n GLU 171 Ca -0.10 1.39 -0.10 0.00 -0.42 0.00 0.00 57.16 57.93 1iku n GLU 171 Cb 0.32 -2.06 -0.05 0.00 -0.57 0.00 0.00 31.44 29.08 1iku n GLU 171 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1iku h PHE 172 N 0.00 -0.09 0.11 -0.32 3.57 -1.30 0.95 116.94 119.86 1iku h PHE 172 Ca 0.27 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1iku h PHE 172 Cb 0.49 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1iku h PHE 172 CO -0.84 -0.07 -0.05 0.82 -2.23 0.00 0.00 178.31 175.94 1iku h ILE 173 N -0.03 0.00 -0.11 1.41 1.08 -0.26 -2.55 117.51 117.05 1iku h ILE 173 Ca 0.05 -0.04 0.03 0.00 -0.39 0.00 0.00 64.86 64.51 1iku h ILE 173 Cb 0.11 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.85 1iku h ILE 173 CO -0.11 0.00 0.44 -0.33 -0.69 0.00 0.00 178.15 177.45 1iku h GLU 174 N -0.19 0.00 -0.21 2.37 4.39 0.67 0.16 114.58 121.76 1iku h GLU 174 Ca -0.01 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1iku h GLU 174 Cb 0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1iku h GLU 174 CO 0.02 0.00 -0.16 0.78 -1.16 0.00 0.00 179.01 178.49 1iku h GLY 175 N 0.00 0.53 0.76 -3.84 0.00 0.12 -1.49 103.07 99.15 1iku h GLY 175 Ca 0.05 -0.52 -0.22 0.00 0.00 0.00 0.00 47.33 46.64 1iku h GLY 175 CO -0.00 0.47 -1.00 -0.91 0.00 0.00 0.00 176.54 175.10 1iku h THR 176 N 0.18 1.41 -0.17 4.70 1.35 -0.38 -3.25 112.91 116.75 1iku h THR 176 Ca 0.04 -2.55 0.02 0.00 -0.55 0.00 0.00 66.41 63.37 1iku h THR 176 Cb 0.69 3.12 -0.02 0.00 -1.73 0.00 0.00 68.15 70.21 1iku h THR 176 CO 0.04 0.73 0.03 0.25 -0.25 0.00 0.00 175.52 176.32 1iku h LEU 177 N -0.28 0.00 0.01 3.87 6.46 -1.07 -3.23 115.31 121.07 1iku h LEU 177 Ca -0.18 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1iku h LEU 177 Cb 1.74 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 41.71 1iku h LEU 177 CO 0.16 0.03 -0.02 0.00 -0.62 0.00 0.00 178.44 177.99 1iku h ALA 178 N 1.12 -0.65 -2.55 1.25 0.00 -1.40 -3.40 119.26 113.64 1iku h ALA 178 Ca 0.07 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.42 1iku h ALA 178 Cb 0.07 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1iku h ALA 178 CO -0.10 -0.65 0.23 1.21 0.00 0.00 0.00 179.25 179.94 1iku s ASN 179 N -2.44 7.03 0.48 0.00 3.04 -1.22 -4.92 114.94 116.91 1iku s ASN 179 Ca -0.01 1.25 0.27 0.00 0.04 0.00 0.00 52.86 54.42 1iku s ASN 179 Cb 0.00 -2.45 0.80 0.00 -1.54 0.00 0.00 41.25 38.06 1iku s ASN 179 CO 0.02 -0.23 1.78 0.07 -3.04 0.00 0.00 177.10 175.70 1iku h LYS 180 N 6.96 0.00 0.67 0.43 2.10 -1.78 -3.29 116.57 121.67 1iku h LYS 180 Ca -0.37 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.25 1iku h LYS 180 Cb 1.18 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.52 1iku h LYS 180 CO 0.78 0.03 -0.32 0.93 -2.00 0.00 0.00 179.45 178.86 1iku h GLU 181 N 0.00 -0.87 -0.90 0.07 5.08 -1.91 -2.21 114.58 113.84 1iku h GLU 181 Ca -0.00 0.06 0.25 0.00 -1.00 0.00 0.00 59.36 58.67 1iku h GLU 181 Cb 0.79 0.20 -0.15 0.00 0.50 0.00 0.00 28.75 30.09 1iku h GLU 181 CO 0.00 -0.58 0.26 0.82 -1.00 0.00 0.00 179.01 178.51 1iku h ILE 182 N -1.03 0.28 -0.75 3.13 2.04 -1.87 1.29 117.51 120.60 1iku h ILE 182 Ca -0.09 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.77 1iku h ILE 182 Cb 0.69 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1iku h ILE 182 CO 0.15 0.04 0.49 0.25 0.00 0.00 0.00 178.15 179.08 1iku h LEU 183 N 0.19 0.70 -0.83 1.44 5.85 -1.59 0.60 115.31 121.68 1iku h LEU 183 Ca 0.58 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.31 1iku h LEU 183 Cb 1.21 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1iku h LEU 183 CO -0.68 0.45 0.00 -0.09 -0.34 0.00 0.00 178.44 177.79 1iku h ARG 184 N 0.80 0.00 0.00 1.25 2.43 0.22 -0.41 114.38 118.67 1iku h ARG 184 Ca 0.32 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.35 1iku h ARG 184 Cb 0.25 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1iku h ARG 184 CO -0.11 0.00 -1.63 1.28 -1.51 0.00 0.00 179.97 178.00 1iku n LEU 185 N -3.06 0.54 -0.08 3.80 4.77 0.53 -4.48 117.00 119.04 1iku n LEU 185 Ca 0.02 0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 56.13 1iku n LEU 185 Cb 0.40 0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1iku n LEU 185 CO 0.30 0.12 -0.28 -0.29 -1.33 0.00 0.00 177.39 175.91 1iku h ILE 186 N 0.00 0.49 -1.06 -0.08 -0.00 0.17 -3.43 117.51 113.60 1iku h ILE 186 Ca -0.17 -1.54 -0.31 0.00 -0.00 0.00 0.00 64.86 62.84 1iku h ILE 186 Cb 1.48 1.10 -0.03 0.00 -0.00 0.00 0.00 36.82 39.37 1iku h ILE 186 CO 0.03 0.17 0.86 -1.58 -0.00 0.00 0.00 178.15 177.62 1iku s GLN 187 N -2.18 2.36 0.98 2.19 0.74 -0.18 -4.82 119.66 118.75 1iku s GLN 187 Ca -0.18 0.24 0.00 0.00 0.05 0.00 0.00 55.36 55.47 1iku s GLN 187 Cb 0.03 -4.80 0.00 0.00 1.10 0.00 0.00 33.01 29.34 1iku s GLN 187 CO 0.36 -3.39 0.00 0.34 -0.55 0.00 0.00 175.29 172.05 1iku n PHE 188 N 14.67 0.00 0.00 1.67 7.35 -1.26 -4.86 117.46 135.03 1iku n PHE 188 Ca 0.36 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.05 1iku n PHE 188 Cb 0.48 0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.32 1iku n PHE 188 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39