#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iku n ASN 3 N 0.00 1.03 0.01 1.61 4.13 -1.26 -5.03 115.26 115.75 1iku n ASN 3 Ca 0.00 -1.55 -0.17 0.00 1.68 0.00 0.00 54.58 54.54 1iku n ASN 3 Cb 0.00 -0.09 -0.14 0.00 -1.54 0.00 0.00 39.78 38.01 1iku n ASN 3 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1iku h SER 4 N 0.10 0.31 1.61 6.41 0.02 -2.00 -3.34 113.55 116.66 1iku h SER 4 Ca -0.10 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.24 1iku h SER 4 Cb 0.41 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1iku h SER 4 CO 0.15 1.54 0.00 0.11 -1.14 0.00 0.00 176.83 177.48 1iku h LYS 5 N 0.05 0.00 0.00 3.45 1.57 -1.96 -3.03 116.57 116.65 1iku h LYS 5 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1iku h LYS 5 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.34 1iku h LYS 5 CO 0.11 0.00 0.00 0.77 -0.57 0.00 0.00 179.45 179.76 1iku h SER 6 N 0.00 0.00 0.98 0.86 0.02 -1.97 0.14 113.55 113.57 1iku h SER 6 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1iku h SER 6 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1iku h SER 6 CO 0.00 0.00 0.00 1.23 -1.14 0.00 0.00 176.83 176.92 1iku h GLY 7 N 0.17 0.00 0.63 -3.77 0.00 -1.74 -2.98 103.07 95.37 1iku h GLY 7 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1iku h GLY 7 CO 0.00 0.00 -1.21 0.00 0.00 0.00 0.00 176.54 175.33 1iku h ALA 8 N 2.10 0.07 -0.39 3.60 0.00 -0.94 -3.21 119.26 120.49 1iku h ALA 8 Ca 0.00 -0.95 0.11 0.00 0.00 0.00 0.00 54.91 54.08 1iku h ALA 8 Cb 0.49 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1iku h ALA 8 CO 0.00 0.67 0.29 -0.07 0.00 0.00 0.00 179.25 180.13 1iku h LEU 9 N -0.31 0.00 -0.12 0.00 3.38 -1.53 -1.07 115.31 115.66 1iku h LEU 9 Ca -0.25 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.56 1iku h LEU 9 Cb 1.73 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.49 1iku h LEU 9 CO 0.10 0.00 -0.56 0.77 0.09 0.00 0.00 178.44 178.84 1iku h SER 10 N 0.00 0.69 0.58 -0.43 4.64 -1.62 -2.46 113.55 114.95 1iku h SER 10 Ca 0.18 -0.64 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1iku h SER 10 Cb 0.75 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1iku h SER 10 CO -0.00 1.22 -0.35 0.50 -0.87 0.00 0.00 176.83 177.32 1iku h LYS 11 N 0.21 -0.84 -0.83 4.77 3.64 -1.21 0.33 116.57 122.64 1iku h LYS 11 Ca -0.04 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.49 1iku h LYS 11 Cb 1.20 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 33.14 1iku h LYS 11 CO 0.12 -0.56 0.47 1.49 -2.27 0.00 0.00 179.45 178.70 1iku h GLU 12 N -0.88 0.77 0.23 1.90 4.81 -1.53 0.41 114.58 120.30 1iku h GLU 12 Ca -0.07 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1iku h GLU 12 Cb 0.71 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1iku h GLU 12 CO 0.08 0.51 -0.11 0.82 -0.73 0.00 0.00 179.01 179.58 1iku h ILE 13 N 0.80 0.00 -0.10 2.32 2.04 -1.13 -2.81 117.51 118.63 1iku h ILE 13 Ca 0.40 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 66.15 1iku h ILE 13 Cb 0.36 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1iku h ILE 13 CO -0.25 0.00 0.52 -0.07 0.00 0.00 0.00 178.15 178.36 1iku h LEU 14 N -0.45 0.00 0.02 1.44 3.38 -0.29 -0.25 115.31 119.15 1iku h LEU 14 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1iku h LEU 14 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1iku h LEU 14 CO 0.05 0.00 -0.01 -0.08 0.09 0.00 0.00 178.44 178.49 1iku h GLU 15 N 0.00 -0.02 -0.51 1.13 4.81 -0.77 -3.22 114.58 115.99 1iku h GLU 15 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1iku h GLU 15 Cb 1.09 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 1iku h GLU 15 CO -0.00 0.60 0.34 1.49 -0.73 0.00 0.00 179.01 180.70 1iku h GLU 16 N -0.66 0.68 -0.15 1.92 4.22 -0.79 -3.10 114.58 116.69 1iku h GLU 16 Ca -0.00 -0.04 0.02 0.00 0.08 0.00 0.00 59.36 59.41 1iku h GLU 16 Cb 0.63 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1iku h GLU 16 CO 0.00 0.46 -0.18 1.25 -2.18 0.00 0.00 179.01 178.36 1iku h LEU 17 N 0.70 -0.61 0.00 1.64 6.46 -1.50 -3.45 115.31 118.55 1iku h LEU 17 Ca 0.19 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 58.03 1iku h LEU 17 Cb -0.07 0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 1iku h LEU 17 CO -0.04 -0.12 0.00 0.00 -0.62 0.00 0.00 178.44 177.66 1iku n GLN 18 N -3.57 0.00 0.00 1.25 6.02 -1.17 -5.03 117.38 114.88 1iku n GLN 18 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1iku n GLN 18 Cb 0.11 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.37 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 -1.22 -5.04 117.00 116.59 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 -4.59 -1.43 6.94 -1.26 -4.53 115.26 110.38 1iku n ASN 20 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.13 1iku n ASN 20 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 1iku n ASN 20 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1iku s THR 21 N 0.00 3.81 -1.11 5.53 -1.32 -1.26 -4.80 115.64 116.50 1iku s THR 21 Ca 0.00 0.80 -0.14 0.00 -1.21 0.00 0.00 61.69 61.14 1iku s THR 21 Cb 0.00 -4.17 -0.07 0.00 -1.51 0.00 0.00 72.50 66.75 1iku s THR 21 CO 0.00 -0.79 2.22 1.17 -2.21 0.00 0.00 174.62 175.00 1iku n LYS 22 N 8.27 2.33 -3.48 7.08 4.81 -1.26 -4.79 118.16 131.11 1iku n LYS 22 Ca 0.17 -1.97 -0.12 0.00 -0.87 0.00 0.00 58.31 55.53 1iku n LYS 22 Cb 0.48 -2.85 -0.03 0.00 0.02 0.00 0.00 35.03 32.65 1iku n LYS 22 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1iku s PHE 23 N 3.68 -0.45 0.82 5.64 0.08 -1.26 -5.16 117.98 121.33 1iku s PHE 23 Ca 0.52 0.22 -0.11 0.00 0.12 0.00 0.00 56.93 57.68 1iku s PHE 23 Cb 0.14 0.47 0.08 0.00 -0.57 0.00 0.00 43.02 43.14 1iku s PHE 23 CO -0.00 -0.80 1.09 -0.08 -0.10 0.00 0.00 175.22 175.33 1iku s THR 24 N -3.72 3.07 0.27 0.64 -1.32 -1.26 -4.94 115.64 108.38 1iku s THR 24 Ca 0.01 0.35 0.11 0.00 -1.21 0.00 0.00 61.69 60.95 1iku s THR 24 Cb -0.00 -2.97 -0.02 0.00 -1.51 0.00 0.00 72.50 67.99 1iku s THR 24 CO -0.12 -0.46 1.61 1.05 -2.21 0.00 0.00 174.62 174.49 1iku h GLU 25 N -1.20 0.00 0.00 7.08 -0.00 -1.98 -2.87 114.58 115.61 1iku h GLU 25 Ca -0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 58.89 1iku h GLU 25 Cb 1.26 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.01 1iku h GLU 25 CO 0.56 0.62 -0.00 0.93 -0.00 0.00 0.00 179.01 181.12 1iku h GLU 26 N 0.00 0.00 0.48 1.06 5.08 -1.90 -2.21 114.58 117.10 1iku h GLU 26 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1iku h GLU 26 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1iku h GLU 26 CO 0.08 0.00 -0.23 1.49 -1.00 0.00 0.00 179.01 179.35 1iku h GLU 27 N 0.00 -0.63 -0.43 2.33 4.57 -1.88 -2.67 114.58 115.87 1iku h GLU 27 Ca -0.00 0.04 0.12 0.00 -1.18 0.00 0.00 59.36 58.35 1iku h GLU 27 Cb 0.00 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1iku h GLU 27 CO 0.00 -0.42 0.45 -0.07 -1.18 0.00 0.00 179.01 177.79 1iku h LEU 28 N -1.00 0.00 0.05 1.64 3.38 -1.61 0.98 115.31 118.76 1iku h LEU 28 Ca -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1iku h LEU 28 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1iku h LEU 28 CO 0.11 0.00 -0.03 0.28 0.09 0.00 0.00 178.44 178.89 1iku h SER 29 N 0.00 -0.06 0.39 -0.43 0.02 -1.27 0.41 113.55 112.61 1iku h SER 29 Ca 0.20 -0.33 -0.16 0.00 -0.84 0.00 0.00 61.79 60.66 1iku h SER 29 Cb 1.10 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1iku h SER 29 CO -0.00 0.30 -0.68 -1.28 -1.14 0.00 0.00 176.83 174.03 1iku h SER 30 N -0.43 0.31 0.12 3.07 0.87 -0.79 -2.68 113.55 114.01 1iku h SER 30 Ca -0.01 -0.20 -0.24 0.00 -1.23 0.00 0.00 61.79 60.12 1iku h SER 30 Cb 0.39 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1iku h SER 30 CO 0.01 0.90 -0.94 -0.25 -0.53 0.00 0.00 176.83 176.02 1iku h TRP 31 N 0.18 0.86 -0.35 2.24 7.01 -0.86 -0.87 115.95 124.16 1iku h TRP 31 Ca -0.02 -0.44 -0.10 0.00 2.11 0.00 0.00 58.89 60.44 1iku h TRP 31 Cb 1.23 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.17 1iku h TRP 31 CO 0.03 1.27 -0.19 -0.92 -2.79 0.00 0.00 178.44 175.83 1iku h TYR 32 N 0.35 0.74 0.03 2.65 5.03 -0.18 0.58 116.97 126.17 1iku h TYR 32 Ca -0.09 -0.15 -0.25 0.00 2.58 0.00 0.00 58.73 60.81 1iku h TYR 32 Cb 1.58 -0.18 -0.03 0.00 1.55 0.00 0.00 36.73 39.65 1iku h TYR 32 CO 0.08 0.81 -1.30 1.96 -1.32 0.00 0.00 178.16 178.39 1iku h GLN 33 N 0.59 0.07 0.00 1.82 4.20 -1.50 -2.82 115.11 117.47 1iku h GLN 33 Ca 0.09 -0.13 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 1iku h GLN 33 Cb 0.66 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 1iku h GLN 33 CO 0.05 0.92 -0.68 0.77 -0.67 0.00 0.00 178.83 179.22 1iku h SER 34 N 0.02 0.00 0.08 1.46 0.02 -1.03 -1.92 113.55 112.19 1iku h SER 34 Ca -0.13 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.65 1iku h SER 34 Cb 1.89 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.45 1iku h SER 34 CO 0.13 0.51 -0.70 0.15 -1.14 0.00 0.00 176.83 175.78 1iku h PHE 35 N 0.00 0.54 0.00 3.45 3.57 0.09 -2.69 116.94 121.90 1iku h PHE 35 Ca -0.03 -0.35 -0.17 0.00 3.53 0.00 0.00 57.97 60.94 1iku h PHE 35 Cb 1.42 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.10 1iku h PHE 35 CO 0.00 1.23 -0.83 -0.07 -2.23 0.00 0.00 178.31 176.41 1iku h LEU 36 N -0.30 0.02 -0.79 0.59 3.38 -1.60 -2.89 115.31 113.71 1iku h LEU 36 Ca -0.11 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1iku h LEU 36 Cb 1.49 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 1iku h LEU 36 CO 0.13 0.84 -0.20 0.50 0.09 0.00 0.00 178.44 179.80 1iku h LYS 37 N 0.01 0.69 -0.24 1.13 3.64 -1.43 -2.97 116.57 117.40 1iku h LYS 37 Ca -0.01 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.08 1iku h LYS 37 Cb 1.46 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 1iku h LYS 37 CO 0.11 0.84 0.02 1.49 -2.27 0.00 0.00 179.45 179.64 1iku h GLU 38 N 0.61 0.41 -7.19 1.90 4.81 -1.41 -3.44 114.58 110.28 1iku h GLU 38 Ca 0.09 -0.12 -0.53 0.00 -0.13 0.00 0.00 59.36 58.67 1iku h GLU 38 Cb 0.68 -0.04 0.15 0.00 0.63 0.00 0.00 28.75 30.16 1iku h GLU 38 CO 0.05 0.56 0.38 0.00 -0.73 0.00 0.00 179.01 179.27 1iku h PRO 40 N -0.30 0.25 -0.15 0.00 0.13 -1.84 -3.37 132.00 126.72 1iku h PRO 40 Ca -0.47 -0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 1iku h PRO 40 Cb 1.28 -0.06 -0.23 0.00 0.13 0.00 0.00 31.00 32.12 1iku h PRO 40 CO 0.50 0.17 -0.56 0.43 -0.23 0.00 0.00 178.00 178.31 1iku n SER 41 N -5.02 -0.45 -0.23 1.44 7.64 -1.26 -4.94 113.62 110.79 1iku n SER 41 Ca 0.00 -2.16 -0.03 0.00 1.01 0.00 0.00 58.87 57.70 1iku n SER 41 Cb 0.12 0.30 -0.01 0.00 -1.01 0.00 0.00 64.21 63.60 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 -1.23 0.61 3.76 0.23 0.00 -1.26 -4.88 105.19 102.43 1iku n GLY 42 Ca -0.10 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 1iku n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iku s ARG 43 N -2.12 4.26 0.24 1.61 0.52 -1.26 -1.24 118.95 120.96 1iku s ARG 43 Ca 0.00 0.59 0.01 0.00 -0.52 0.00 0.00 55.73 55.81 1iku s ARG 43 Cb 0.00 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 32.07 1iku s ARG 43 CO 0.00 0.35 0.13 0.96 0.02 0.00 0.00 175.30 176.76 1iku s ILE 44 N -0.07 0.27 0.43 1.52 -4.36 0.03 -4.76 121.20 114.26 1iku s ILE 44 Ca 0.28 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.74 1iku s ILE 44 Cb -0.17 -2.56 -0.02 0.00 1.25 0.00 0.00 42.46 40.96 1iku s ILE 44 CO 0.14 0.00 0.31 0.42 0.24 0.00 0.00 174.94 176.05 1iku s THR 45 N -3.89 2.38 0.01 8.37 -4.23 -1.26 -0.24 115.64 116.77 1iku s THR 45 Ca 0.38 -1.49 -0.07 0.00 -1.18 0.00 0.00 61.69 59.33 1iku s THR 45 Cb 0.07 -2.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 1iku s THR 45 CO 0.14 0.00 1.03 -0.09 -0.54 0.00 0.00 174.62 175.16 1iku h ARG 46 N 1.13 -0.25 -1.26 3.99 2.43 -1.92 -1.32 114.38 117.18 1iku h ARG 46 Ca -0.41 0.02 0.45 0.00 -0.81 0.00 0.00 59.98 59.22 1iku h ARG 46 Cb 1.27 0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 30.73 1iku h ARG 46 CO 0.62 -0.16 0.80 0.94 -1.51 0.00 0.00 179.97 180.65 1iku n GLN 47 N -2.73 -0.04 0.07 0.20 7.27 -1.26 -0.49 117.38 120.40 1iku n GLN 47 Ca -0.03 1.21 -0.08 0.00 0.07 0.00 0.00 57.00 58.17 1iku n GLN 47 Cb 0.10 -2.36 -0.06 0.00 2.41 0.00 0.00 30.24 30.33 1iku n GLN 47 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1iku h GLU 48 N 0.00 -0.26 -0.91 3.69 5.08 -1.94 -3.06 114.58 117.18 1iku h GLU 48 Ca 0.84 0.02 0.25 0.00 -1.00 0.00 0.00 59.36 59.47 1iku h GLU 48 Cb 2.63 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 31.79 1iku h GLU 48 CO -0.49 0.06 0.30 0.35 -1.00 0.00 0.00 179.01 178.22 1iku h PHE 49 N -0.98 0.46 0.33 4.33 3.57 0.42 0.40 116.94 125.47 1iku h PHE 49 Ca -0.03 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1iku h PHE 49 Cb 0.44 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1iku h PHE 49 CO 0.06 -0.21 -0.25 0.37 -2.23 0.00 0.00 178.31 176.05 1iku h GLN 50 N 0.23 -0.56 -0.45 1.11 4.15 -1.33 -0.37 115.11 117.89 1iku h GLN 50 Ca 0.59 0.04 0.09 0.00 0.77 0.00 0.00 58.65 60.14 1iku h GLN 50 Cb 1.23 0.13 -0.09 0.00 0.21 0.00 0.00 27.48 28.96 1iku h GLN 50 CO -0.65 -0.37 -0.17 1.15 -1.93 0.00 0.00 178.83 176.86 1iku h THR 51 N -0.58 0.45 -0.55 2.39 2.02 -0.84 0.19 112.91 116.00 1iku h THR 51 Ca -0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.18 1iku h THR 51 Cb 0.50 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1iku h THR 51 CO -0.00 0.00 0.32 0.40 0.37 0.00 0.00 175.52 176.61 1iku h ILE 52 N -0.07 1.04 -0.27 3.11 2.04 -1.08 -1.35 117.51 120.93 1iku h ILE 52 Ca 0.22 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1iku h ILE 52 Cb 0.40 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1iku h ILE 52 CO -0.50 0.12 -0.08 0.22 0.00 0.00 0.00 178.15 177.91 1iku h TYR 53 N 0.63 0.45 0.00 1.37 3.20 0.31 -1.42 116.97 121.51 1iku h TYR 53 Ca 0.22 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1iku h TYR 53 Cb 0.05 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 1iku h TYR 53 CO -0.07 0.51 -0.16 1.03 -1.64 0.00 0.00 178.16 177.83 1iku h SER 54 N 0.41 0.00 0.64 -2.11 0.87 0.03 -2.53 113.55 110.86 1iku h SER 54 Ca 0.08 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.45 1iku h SER 54 Cb 0.39 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1iku h SER 54 CO 0.02 0.16 -1.50 1.17 -0.53 0.00 0.00 176.83 176.15 1iku n LYS 55 N -3.21 0.62 0.03 2.24 4.81 -0.58 -4.04 118.16 118.04 1iku n LYS 55 Ca 0.02 0.23 -0.06 0.00 -0.87 0.00 0.00 58.31 57.63 1iku n LYS 55 Cb 0.49 -1.80 -0.11 0.00 0.02 0.00 0.00 35.03 33.64 1iku n LYS 55 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1iku h PHE 56 N 0.00 0.00 -2.84 5.64 0.04 -1.28 -3.40 116.94 115.09 1iku h PHE 56 Ca -0.19 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 59.97 1iku h PHE 56 Cb 1.67 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 39.42 1iku h PHE 56 CO 0.00 0.89 -0.69 1.19 -0.60 0.00 0.00 178.31 179.09 1iku n PHE 57 N -3.16 2.02 -0.06 -0.55 3.72 -0.95 -4.08 117.46 114.40 1iku n PHE 57 Ca -0.07 -4.01 -0.12 0.00 -0.05 0.00 0.00 57.45 53.19 1iku n PHE 57 Cb 0.94 -0.36 -0.06 0.00 -0.94 0.00 0.00 39.48 39.06 1iku n PHE 57 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1iku h PRO 58 N 5.41 0.32 -0.00 -1.08 0.14 -1.79 -2.60 132.00 132.40 1iku h PRO 58 Ca 0.19 -0.13 0.00 0.00 0.14 0.00 0.00 66.00 66.19 1iku h PRO 58 Cb 0.80 -0.01 0.00 0.00 0.14 0.00 0.00 31.00 31.92 1iku h PRO 58 CO 0.62 0.61 0.00 0.39 0.14 0.00 0.00 178.00 179.76 1iku n GLU 59 N -4.66 0.34 -4.63 0.86 1.02 -1.26 -4.59 120.64 107.72 1iku n GLU 59 Ca -0.05 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.84 1iku n GLU 59 Cb 0.28 -1.00 -0.14 0.00 -0.02 0.00 0.00 31.44 30.56 1iku n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iku s ALA 60 N -1.99 1.56 0.59 0.62 0.00 -0.98 -5.08 121.76 116.47 1iku s ALA 60 Ca 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.86 1iku s ALA 60 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1iku s ALA 60 CO 0.00 0.35 1.08 -0.51 0.00 0.00 0.00 175.76 176.68 1iku s ASP 61 N -0.98 5.68 0.00 0.00 1.11 -1.26 -4.87 116.67 116.35 1iku s ASP 61 Ca 0.06 1.92 0.02 0.00 0.18 0.00 0.00 52.55 54.73 1iku s ASP 61 Cb -0.08 -2.55 0.07 0.00 1.07 0.00 0.00 42.92 41.43 1iku s ASP 61 CO 0.01 -1.24 1.04 -0.81 1.18 0.00 0.00 175.17 175.35 1iku n PRO 62 N -1.90 0.00 -2.67 8.23 -0.04 -1.26 -2.20 135.00 135.17 1iku n PRO 62 Ca 0.10 0.46 -0.09 0.00 -0.04 0.00 0.00 63.50 63.93 1iku n PRO 62 Cb 0.52 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1iku n PRO 62 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1iku n LYS 63 N -1.48 1.56 0.00 0.54 4.76 -1.26 -4.83 118.16 117.45 1iku n LYS 63 Ca 0.00 -3.45 0.00 0.00 -2.87 0.00 0.00 58.31 51.99 1iku n LYS 63 Cb 0.02 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 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 -0.26 0.00 -0.20 7.82 0.00 -0.93 -4.85 120.51 122.08 1iku n ALA 64 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1iku n ALA 64 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.26 1iku n ALA 64 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1iku n TYR 65 N 0.00 0.00 0.05 0.00 9.36 -1.26 -4.33 117.16 120.98 1iku n TYR 65 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 1iku n TYR 65 Cb 0.00 -0.13 0.06 0.00 -0.63 0.00 0.00 39.34 38.64 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 -2.10 0.31 -0.14 2.98 0.00 -1.26 -1.02 120.51 119.28 1iku n ALA 66 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 1iku n ALA 66 Cb 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 19.45 19.12 1iku n ALA 66 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1iku h GLN 67 N 0.00 0.55 -0.53 0.00 5.75 -1.88 -2.23 115.11 116.76 1iku h GLN 67 Ca 0.00 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.41 1iku h GLN 67 Cb 0.80 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 1iku h GLN 67 CO 0.00 0.36 0.08 1.25 -2.65 0.00 0.00 178.83 177.87 1iku h HIS 68 N 0.56 0.88 0.68 3.99 2.76 -1.33 -1.35 115.15 121.33 1iku h HIS 68 Ca 0.17 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 1iku h HIS 68 Cb -0.03 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.67 1iku h HIS 68 CO -0.06 0.76 -0.44 0.28 -1.30 0.00 0.00 177.93 177.17 1iku h VAL 69 N 0.80 0.00 -0.26 5.26 2.07 -1.56 0.31 116.25 122.87 1iku h VAL 69 Ca 0.17 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.72 1iku h VAL 69 Cb 0.36 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1iku h VAL 69 CO 0.01 0.00 0.07 0.15 0.02 0.00 0.00 177.57 177.82 1iku h PHE 70 N -1.06 0.13 -0.89 1.57 3.04 -1.42 -0.23 116.94 118.09 1iku h PHE 70 Ca -0.09 0.01 0.10 0.00 3.98 0.00 0.00 57.97 61.97 1iku h PHE 70 Cb 0.86 -0.02 -0.06 0.00 2.56 0.00 0.00 35.95 39.28 1iku h PHE 70 CO -0.10 0.05 0.58 -0.09 -2.02 0.00 0.00 178.31 176.72 1iku h ARG 71 N 0.18 0.86 0.00 1.11 1.12 -1.12 0.37 114.38 116.91 1iku h ARG 71 Ca 0.12 -0.05 -0.09 0.00 -1.11 0.00 0.00 59.98 58.84 1iku h ARG 71 Cb 0.10 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 29.85 1iku h ARG 71 CO -0.14 0.57 -0.45 0.66 -3.11 0.00 0.00 179.97 177.50 1iku h SER 72 N 0.88 0.00 0.69 -3.80 4.64 0.53 -2.75 113.55 113.74 1iku h SER 72 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1iku h SER 72 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1iku h SER 72 CO -0.18 0.45 0.00 0.49 -0.87 0.00 0.00 176.83 176.72 1iku n PHE 73 N -3.53 0.65 -2.13 4.77 3.01 0.10 -4.81 117.46 115.52 1iku n PHE 73 Ca -0.00 0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.71 1iku n PHE 73 Cb 0.57 -0.91 0.00 0.00 -0.01 0.00 0.00 39.48 39.13 1iku n PHE 73 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1iku n ASP 74 N -2.09 -1.68 -1.98 4.37 2.03 -1.04 -4.79 116.55 111.37 1iku n ASP 74 Ca 0.02 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.33 1iku n ASP 74 Cb 0.22 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.67 1iku n ASP 74 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iku n ALA 75 N 0.97 0.08 -3.39 -1.67 0.00 -1.26 -4.91 120.51 110.33 1iku n ALA 75 Ca 0.00 -0.42 -0.25 0.00 0.00 0.00 0.00 53.44 52.77 1iku n ALA 75 Cb 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 19.45 18.84 1iku n ALA 75 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1iku n ASN 76 N -0.65 -6.11 0.00 0.00 5.15 -1.26 -0.40 115.26 111.99 1iku n ASN 76 Ca -0.08 -0.19 0.00 0.00 -0.60 0.00 0.00 54.58 53.71 1iku n ASN 76 Cb 0.66 -2.82 0.00 0.00 -0.53 0.00 0.00 39.78 37.09 1iku n ASN 76 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1iku n SER 77 N -0.93 0.00 -0.30 1.20 2.88 -1.26 -2.64 113.62 112.56 1iku n SER 77 Ca -0.09 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1iku n SER 77 Cb 0.62 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.08 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 3.05 -0.02 -2.81 -3.46 9.92 -1.12 -5.15 116.55 116.97 1iku n ASP 78 Ca 0.00 -0.58 0.00 0.00 -0.53 0.00 0.00 54.79 53.68 1iku n ASP 78 Cb 0.00 0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 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 0.00 -1.66 3.95 0.44 0.00 0.46 -4.94 105.19 103.44 1iku n GLY 79 Ca -0.01 -1.53 -0.23 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.47 2.46 0.05 2.61 -4.23 -1.26 -4.75 115.64 110.05 1iku s THR 80 Ca 0.00 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1iku s THR 80 Cb 0.00 -2.99 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 1iku s THR 80 CO 0.00 0.00 -0.05 -1.48 -0.54 0.00 0.00 174.62 172.55 1iku s LEU 81 N -5.02 2.40 0.38 4.79 0.05 0.66 -4.85 118.68 117.10 1iku s LEU 81 Ca 0.59 -0.81 -0.25 0.00 0.05 0.00 0.00 54.13 53.70 1iku s LEU 81 Cb -0.10 0.04 -0.09 0.00 -2.05 0.00 0.00 46.19 43.99 1iku s LEU 81 CO 0.42 -0.43 1.10 -1.81 -0.55 0.00 0.00 176.35 175.07 1iku s ASP 82 N -2.40 6.79 -0.14 1.48 1.11 -1.26 -0.79 116.67 121.45 1iku s ASP 82 Ca 0.00 2.18 -0.09 0.00 0.18 0.00 0.00 52.55 54.82 1iku s ASP 82 Cb 0.00 -2.60 -0.25 0.00 1.07 0.00 0.00 42.92 41.14 1iku s ASP 82 CO -0.05 -0.48 0.31 0.33 1.18 0.00 0.00 175.17 176.47 1iku n PHE 83 N 0.23 1.17 0.07 4.23 7.35 -0.38 -3.75 117.46 126.38 1iku n PHE 83 Ca 0.04 0.28 -0.12 0.00 -0.76 0.00 0.00 57.45 56.89 1iku n PHE 83 Cb 0.48 -1.15 -0.05 0.00 0.35 0.00 0.00 39.48 39.11 1iku n PHE 83 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1iku h LYS 84 N -0.11 -0.45 -0.87 -4.13 1.57 -1.93 0.85 116.57 111.49 1iku h LYS 84 Ca -0.42 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.48 1iku h LYS 84 Cb 1.91 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 34.25 1iku h LYS 84 CO 0.03 -0.30 0.51 0.93 -0.57 0.00 0.00 179.45 180.05 1iku h GLU 85 N -0.47 0.83 -0.65 3.15 5.08 -1.97 -0.33 114.58 120.22 1iku h GLU 85 Ca 0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1iku h GLU 85 Cb 0.55 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1iku h GLU 85 CO -0.24 0.55 0.37 -0.92 -1.00 0.00 0.00 179.01 177.76 1iku h TYR 86 N 0.86 0.88 0.37 4.33 3.20 -1.40 -1.70 116.97 123.51 1iku h TYR 86 Ca 0.42 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.25 1iku h TYR 86 Cb 0.36 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1iku h TYR 86 CO -0.05 0.62 -0.18 0.28 -1.64 0.00 0.00 178.16 177.20 1iku h VAL 87 N 0.88 0.65 -0.17 1.81 2.07 0.48 -1.93 116.25 120.04 1iku h VAL 87 Ca 0.23 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.68 1iku h VAL 87 Cb 0.02 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1iku h VAL 87 CO -0.04 0.02 -0.49 0.40 0.02 0.00 0.00 177.57 177.48 1iku h ILE 88 N -0.55 0.06 -0.77 4.57 2.04 -0.93 0.56 117.51 122.49 1iku h ILE 88 Ca -0.05 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.03 1iku h ILE 88 Cb 0.41 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 1iku h ILE 88 CO 0.08 0.00 0.67 0.00 0.00 0.00 0.00 178.15 178.90 1iku h ALA 89 N -0.06 2.61 0.05 1.87 0.00 -1.21 0.43 119.26 122.95 1iku h ALA 89 Ca 0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1iku h ALA 89 Cb 0.65 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1iku h ALA 89 CO -0.44 -1.07 -0.32 1.25 0.00 0.00 0.00 179.25 178.67 1iku h LEU 90 N 0.00 0.19 0.27 0.00 7.12 0.77 -3.35 115.31 120.31 1iku h LEU 90 Ca 0.37 -0.95 -0.01 0.00 0.13 0.00 0.00 57.88 57.41 1iku h LEU 90 Cb 1.70 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.77 1iku h LEU 90 CO -0.00 1.13 -0.13 0.45 -0.13 0.00 0.00 178.44 179.76 1iku h HIS 91 N -0.71 -0.33 0.00 1.25 3.86 0.15 -3.37 115.15 115.99 1iku h HIS 91 Ca -0.05 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1iku h HIS 91 Cb 1.22 0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.80 1iku h HIS 91 CO 0.24 -0.21 0.00 -1.33 0.86 0.00 0.00 177.93 177.49 1iku n MET 92 N -2.96 0.00 -1.74 2.45 2.81 -0.62 -3.31 117.12 113.74 1iku n MET 92 Ca -0.04 0.07 -0.23 0.00 -1.81 0.00 0.00 57.70 55.68 1iku n MET 92 Cb 0.14 -0.42 -0.05 0.00 -0.71 0.00 0.00 33.22 32.18 1iku n MET 92 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1iku s THR 93 N -0.20 3.16 0.00 2.03 -1.32 -1.26 -4.39 115.64 113.67 1iku s THR 93 Ca 0.00 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1iku s THR 93 Cb 0.00 -3.38 0.00 0.00 -1.51 0.00 0.00 72.50 67.61 1iku s THR 93 CO 0.00 -0.36 0.45 -1.54 -2.21 0.00 0.00 174.62 170.96 1iku n SER 94 N 16.36 0.00 -3.58 8.08 3.41 -1.21 -4.85 113.62 131.83 1iku n SER 94 Ca 0.41 -1.16 -0.20 0.00 -0.26 0.00 0.00 58.87 57.65 1iku n SER 94 Cb 0.47 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1iku n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iku n ALA 95 N 0.00 -2.71 -3.00 7.33 0.00 -1.26 -4.14 120.51 116.73 1iku n ALA 95 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1iku n ALA 95 Cb 0.53 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1iku n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iku n GLY 96 N -1.51 3.62 0.95 0.00 0.00 -1.26 -4.75 105.19 102.23 1iku n GLY 96 Ca -0.22 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.19 1iku n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1iku n LYS 97 N 0.00 -2.85 0.00 1.61 4.81 -1.26 -5.03 118.16 115.44 1iku n LYS 97 Ca 0.00 -0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.01 1iku n LYS 97 Cb 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 35.03 34.48 1iku n LYS 97 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1iku n THR 98 N -3.85 0.00 -0.37 3.15 -1.04 -1.26 -4.42 114.28 106.49 1iku n THR 98 Ca 0.04 0.23 0.33 0.00 -2.04 0.00 0.00 64.05 62.60 1iku n THR 98 Cb 0.18 -1.17 0.50 0.00 -1.82 0.00 0.00 70.33 68.02 1iku n THR 98 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1iku n ASN 99 N -2.15 0.00 -0.02 8.00 5.15 -1.26 0.15 115.26 125.14 1iku n ASN 99 Ca 0.00 0.70 -0.17 0.00 -0.60 0.00 0.00 54.58 54.51 1iku n ASN 99 Cb 0.00 -0.30 -0.09 0.00 -0.53 0.00 0.00 39.78 38.86 1iku n ASN 99 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1iku h GLN 100 N 0.00 0.57 -0.09 1.20 1.08 -1.98 -2.73 115.11 113.17 1iku h GLN 100 Ca 0.57 -0.49 -0.17 0.00 -1.45 0.00 0.00 58.65 57.11 1iku h GLN 100 Cb 2.68 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 30.21 1iku h GLN 100 CO -0.01 1.11 -0.69 0.87 -0.95 0.00 0.00 178.83 179.17 1iku h LYS 101 N 0.18 0.38 0.32 1.46 1.57 0.12 -3.17 116.57 117.43 1iku h LYS 101 Ca -0.05 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1iku h LYS 101 Cb 1.25 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1iku h LYS 101 CO 0.12 0.93 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.70 1iku h LEU 102 N 0.27 -0.36 -1.15 2.94 3.38 -1.49 -2.36 115.31 116.53 1iku h LEU 102 Ca -0.02 0.01 0.41 0.00 0.09 0.00 0.00 57.88 58.37 1iku h LEU 102 Cb 1.25 0.09 -0.16 0.00 0.09 0.00 0.00 40.66 41.93 1iku h LEU 102 CO 0.12 -0.14 0.66 -0.33 0.09 0.00 0.00 178.44 178.84 1iku h GLU 103 N -0.66 0.09 -0.22 1.13 4.39 -1.62 0.97 114.58 118.65 1iku h GLU 103 Ca -0.04 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 1iku h GLU 103 Cb 0.33 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1iku h GLU 103 CO 0.07 0.06 -0.01 2.35 -1.16 0.00 0.00 179.01 180.32 1iku h TRP 104 N 0.09 0.44 -0.22 4.33 7.01 -1.54 0.14 115.95 126.20 1iku h TRP 104 Ca 0.82 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.72 1iku h TRP 104 Cb 2.28 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 29.22 1iku h TRP 104 CO -0.01 0.58 0.06 0.00 -2.79 0.00 0.00 178.44 176.28 1iku h ALA 105 N 0.79 0.29 -0.57 2.65 0.00 0.13 -0.17 119.26 122.39 1iku h ALA 105 Ca 0.06 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1iku h ALA 105 Cb 0.41 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1iku h ALA 105 CO 0.01 -0.06 0.29 0.35 0.00 0.00 0.00 179.25 179.84 1iku h PHE 106 N 0.18 0.53 -0.24 0.00 3.57 -0.52 -0.48 116.94 119.98 1iku h PHE 106 Ca 0.07 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1iku h PHE 106 Cb 0.27 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1iku h PHE 106 CO 0.01 0.25 -0.16 0.66 -2.23 0.00 0.00 178.31 176.84 1iku h SER 107 N 0.56 0.40 0.53 0.41 4.64 -0.77 0.16 113.55 119.47 1iku h SER 107 Ca 0.26 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1iku h SER 107 Cb 0.17 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1iku h SER 107 CO -0.18 0.58 -0.10 0.25 -0.87 0.00 0.00 176.83 176.52 1iku h LEU 108 N 0.38 0.00 -0.59 5.97 5.85 0.54 -2.62 115.31 124.84 1iku h LEU 108 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1iku h LEU 108 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1iku h LEU 108 CO 0.03 0.10 -0.43 -1.22 -0.34 0.00 0.00 178.44 176.58 1iku n TYR 109 N -3.43 0.00 0.44 1.25 4.01 -0.59 -4.34 117.16 114.50 1iku n TYR 109 Ca -0.01 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.74 1iku n TYR 109 Cb 0.26 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.40 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 -0.52 2.49 -0.35 7.72 9.92 0.47 -4.26 116.55 132.02 1iku n ASP 110 Ca 0.05 -2.30 0.26 0.00 -0.53 0.00 0.00 54.79 52.27 1iku n ASP 110 Cb 0.29 -0.56 0.53 0.00 -0.64 0.00 0.00 41.12 40.74 1iku n ASP 110 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1iku h VAL 111 N 1.04 0.42 0.00 2.53 3.04 -1.76 -3.30 116.25 118.22 1iku h VAL 111 Ca 0.03 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1iku h VAL 111 Cb 1.02 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.35 1iku h VAL 111 CO 0.17 0.06 0.00 0.47 -1.01 0.00 0.00 177.57 177.26 1iku n ASP 112 N -4.70 0.00 0.00 3.17 8.00 -1.26 -5.03 116.55 116.73 1iku n ASP 112 Ca 0.29 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1iku n ASP 112 Cb 1.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 1iku n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iku n GLY 113 N 1.76 0.02 0.00 0.44 0.00 -1.24 -4.94 105.19 101.23 1iku n GLY 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -3.83 1.61 4.13 -1.26 -4.70 115.26 111.20 1iku n ASN 114 Ca 0.00 0.06 -0.28 0.00 1.68 0.00 0.00 54.58 56.04 1iku n ASN 114 Cb 0.00 -0.06 0.04 0.00 -1.54 0.00 0.00 39.78 38.22 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 -0.95 -0.50 3.51 7.41 0.00 -1.26 -4.95 105.19 108.44 1iku n GLY 115 Ca 0.00 0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.32 0.00 0.08 2.61 -4.23 -1.26 -4.06 115.64 105.46 1iku s THR 116 Ca 0.63 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 1iku s THR 116 Cb -0.30 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 1iku s THR 116 CO 0.80 0.00 -0.06 -0.51 -0.54 0.00 0.00 174.62 174.32 1iku s ILE 117 N -4.05 0.56 0.40 2.99 2.07 -0.90 -4.75 121.20 117.52 1iku s ILE 117 Ca 0.26 -1.79 0.07 0.00 -1.41 0.00 0.00 60.65 57.78 1iku s ILE 117 Cb 0.01 -1.50 -0.07 0.00 0.13 0.00 0.00 42.46 41.03 1iku s ILE 117 CO 0.10 -0.84 0.05 -0.44 -1.91 0.00 0.00 174.94 171.89 1iku s SER 118 N -2.83 4.04 0.14 4.50 0.01 -1.26 -2.56 113.70 115.74 1iku s SER 118 Ca 0.08 -1.25 -0.18 0.00 1.31 0.00 0.00 55.95 55.91 1iku s SER 118 Cb 0.04 -0.43 0.01 0.00 0.21 0.00 0.00 66.02 65.85 1iku s SER 118 CO -0.05 -0.44 1.73 0.50 0.41 0.00 0.00 173.24 175.39 1iku h LYS 119 N 1.70 0.14 -1.03 12.44 3.64 -2.01 -1.17 116.57 130.28 1iku h LYS 119 Ca -0.43 -0.01 0.30 0.00 -1.27 0.00 0.00 60.65 59.24 1iku h LYS 119 Cb 1.25 -0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.90 1iku h LYS 119 CO 0.76 0.09 0.60 -0.97 -2.27 0.00 0.00 179.45 177.67 1iku h ASN 120 N 0.15 0.54 -0.29 4.20 -1.24 -1.99 0.47 115.58 117.41 1iku h ASN 120 Ca 0.12 0.16 -0.02 0.00 0.71 0.00 0.00 56.30 57.28 1iku h ASN 120 Cb 0.13 0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 1iku h ASN 120 CO -0.17 -0.06 0.12 -0.33 -1.29 0.00 0.00 177.43 175.70 1iku h GLU 121 N 0.38 0.42 -0.66 6.67 4.39 -1.62 -1.91 114.58 122.26 1iku h GLU 121 Ca 0.71 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 60.37 1iku h GLU 121 Cb 1.60 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 30.14 1iku h GLU 121 CO -0.53 0.44 0.39 0.28 -1.16 0.00 0.00 179.01 178.43 1iku h VAL 122 N 0.32 1.05 -0.18 3.13 2.07 0.09 -2.26 116.25 120.46 1iku h VAL 122 Ca 0.10 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1iku h VAL 122 Cb 0.17 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 1iku h VAL 122 CO -0.01 0.14 -0.15 0.25 0.02 0.00 0.00 177.57 177.82 1iku h LEU 123 N 0.76 -0.48 -0.76 2.57 5.85 -0.79 0.77 115.31 123.23 1iku h LEU 123 Ca 0.27 0.10 0.17 0.00 0.84 0.00 0.00 57.88 59.26 1iku h LEU 123 Cb 0.07 0.24 -0.12 0.00 0.37 0.00 0.00 40.66 41.22 1iku h LEU 123 CO -0.13 -0.19 0.11 -0.33 -0.34 0.00 0.00 178.44 177.56 1iku h GLU 124 N -0.16 0.18 0.35 1.25 5.08 -0.77 0.60 114.58 121.10 1iku h GLU 124 Ca 0.11 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1iku h GLU 124 Cb 0.33 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1iku h GLU 124 CO -0.28 0.12 -0.17 0.82 -1.00 0.00 0.00 179.01 178.50 1iku h ILE 125 N 0.18 0.66 -0.45 3.13 2.04 -0.97 -1.99 117.51 120.12 1iku h ILE 125 Ca 0.43 -0.43 0.13 0.00 1.00 0.00 0.00 64.86 65.99 1iku h ILE 125 Cb 0.77 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1iku h ILE 125 CO -0.59 0.08 0.44 0.58 0.00 0.00 0.00 178.15 178.66 1iku h VAL 126 N -0.71 0.44 0.00 1.67 2.07 0.55 0.84 116.25 121.11 1iku h VAL 126 Ca -0.05 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 1iku h VAL 126 Cb 0.49 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1iku h VAL 126 CO 0.08 0.00 -0.67 0.74 0.02 0.00 0.00 177.57 177.74 1iku h THR 127 N 0.00 1.30 -0.37 2.57 2.02 0.66 -2.83 112.91 116.26 1iku h THR 127 Ca 0.21 -2.46 -0.11 0.00 0.77 0.00 0.00 66.41 64.82 1iku h THR 127 Cb 1.09 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.88 1iku h THR 127 CO -0.00 0.66 -0.20 0.00 0.37 0.00 0.00 175.52 176.34 1iku h ALA 128 N 1.33 0.52 -0.31 6.16 0.00 0.14 -2.12 119.26 124.98 1iku h ALA 128 Ca -0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1iku h ALA 128 Cb 1.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1iku h ALA 128 CO 0.09 0.48 0.06 0.82 0.00 0.00 0.00 179.25 180.69 1iku h ILE 129 N 0.58 1.23 -0.55 0.00 1.08 -1.43 -1.33 117.51 117.09 1iku h ILE 129 Ca 0.08 -0.80 0.06 0.00 -0.39 0.00 0.00 64.86 63.81 1iku h ILE 129 Cb 0.76 1.15 -0.05 0.00 -3.07 0.00 0.00 36.82 35.61 1iku h ILE 129 CO 0.06 0.26 0.27 0.15 -0.69 0.00 0.00 178.15 178.20 1iku h PHE 130 N 0.34 0.49 0.00 1.37 3.57 -1.44 0.33 116.94 121.60 1iku h PHE 130 Ca 0.10 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1iku h PHE 130 Cb 0.34 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 1iku h PHE 130 CO 0.02 0.22 -0.08 0.87 -2.23 0.00 0.00 178.31 177.10 1iku h LYS 131 N 0.51 0.00 0.00 1.11 1.57 -1.15 0.15 116.57 118.76 1iku h LYS 131 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1iku h LYS 131 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1iku h LYS 131 CO -0.19 0.08 -0.21 -0.12 -0.57 0.00 0.00 179.45 178.44 1iku n MET 132 N -3.74 0.13 -3.41 3.15 1.56 0.88 -4.29 117.12 111.40 1iku n MET 132 Ca -0.02 0.08 -0.37 0.00 -0.27 0.00 0.00 57.70 57.11 1iku n MET 132 Cb 0.19 -1.62 -0.06 0.00 2.15 0.00 0.00 33.22 33.88 1iku n MET 132 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1iku s ILE 133 N -3.06 5.21 0.59 1.12 1.01 0.53 -4.97 121.20 121.62 1iku s ILE 133 Ca 0.11 0.80 -0.18 0.00 0.00 0.00 0.00 60.65 61.39 1iku s ILE 133 Cb 0.16 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1iku s ILE 133 CO 0.62 0.38 1.13 -0.55 0.00 0.00 0.00 174.94 176.51 1iku s SER 134 N 0.34 5.47 0.48 3.58 0.15 -1.26 -4.84 113.70 117.62 1iku s SER 134 Ca 0.22 2.12 0.25 0.00 0.70 0.00 0.00 55.95 59.24 1iku s SER 134 Cb -0.15 -2.57 1.30 0.00 -1.71 0.00 0.00 66.02 62.89 1iku s SER 134 CO 0.09 -1.39 1.87 -0.65 1.20 0.00 0.00 173.24 174.36 1iku h PRO 135 N 0.75 0.18 0.45 5.44 0.11 -1.97 -1.63 132.00 135.34 1iku h PRO 135 Ca -0.49 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1iku h PRO 135 Cb 1.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1iku h PRO 135 CO 0.56 0.12 -0.22 1.49 -0.21 0.00 0.00 178.00 179.74 1iku h GLU 136 N 0.19 -0.59 0.00 1.05 4.81 -2.00 -2.84 114.58 115.20 1iku h GLU 136 Ca 0.45 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 1iku h GLU 136 Cb 1.46 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.98 1iku h GLU 136 CO -0.09 -0.31 0.12 0.22 -0.73 0.00 0.00 179.01 178.22 1iku h ASP 137 N -1.07 0.00 0.01 1.04 3.58 -1.76 -1.46 116.42 116.75 1iku h ASP 137 Ca -0.06 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 1iku h ASP 137 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1iku h ASP 137 CO 0.10 0.00 -0.00 0.74 -2.88 0.00 0.00 179.24 177.20 1iku h THR 138 N 0.00 1.60 0.00 2.25 2.02 -1.14 -2.94 112.91 114.69 1iku h THR 138 Ca 0.00 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.29 1iku h THR 138 Cb 0.25 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 1iku h THR 138 CO 0.00 0.48 0.00 1.17 0.37 0.00 0.00 175.52 177.54 1iku n LYS 139 N -4.70 0.28 0.01 6.66 4.81 -0.57 -0.68 118.16 123.97 1iku n LYS 139 Ca -0.09 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.46 1iku n LYS 139 Cb 0.39 -1.37 -0.13 0.00 0.02 0.00 0.00 35.03 33.94 1iku n LYS 139 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1iku n HIS 140 N -0.87 0.14 -2.60 5.64 -0.00 -1.10 -4.94 115.22 111.49 1iku n HIS 140 Ca 0.05 0.04 -0.35 0.00 0.46 0.00 0.00 57.72 57.92 1iku n HIS 140 Cb 0.02 -0.49 -0.04 0.00 -0.12 0.00 0.00 29.99 29.36 1iku n HIS 140 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1iku s LEU 141 N -4.40 3.98 0.54 0.27 1.43 0.15 -4.99 118.68 115.66 1iku s LEU 141 Ca -0.04 1.93 -0.22 0.00 -1.03 0.00 0.00 54.13 54.76 1iku s LEU 141 Cb 0.14 -4.40 -0.05 0.00 0.03 0.00 0.00 46.19 41.90 1iku s LEU 141 CO 0.88 -0.59 1.37 -0.81 0.23 0.00 0.00 176.35 177.44 1iku n PRO 142 N -0.54 1.77 0.13 1.29 -0.04 -1.26 -4.84 135.00 131.52 1iku n PRO 142 Ca 0.07 0.65 0.09 0.00 -0.04 0.00 0.00 63.50 64.27 1iku n PRO 142 Cb 0.52 -2.59 0.49 0.00 -0.04 0.00 0.00 33.50 31.87 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 -0.92 0.12 0.00 0.54 1.02 -1.26 -1.23 120.64 118.91 1iku n GLU 143 Ca 0.10 0.61 0.04 0.00 -0.02 0.00 0.00 57.16 57.89 1iku n GLU 143 Cb 0.44 -1.88 0.25 0.00 -0.02 0.00 0.00 31.44 30.23 1iku n GLU 143 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1iku n ASP 144 N -2.13 0.00 -2.69 1.62 2.03 -1.26 -3.64 116.55 110.49 1iku n ASP 144 Ca -0.01 -1.03 -0.05 0.00 0.52 0.00 0.00 54.79 54.22 1iku n ASP 144 Cb 0.03 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.52 1iku n ASP 144 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1iku n GLU 145 N -0.70 0.51 -0.30 -0.67 0.28 -0.36 -4.76 120.64 114.64 1iku n GLU 145 Ca 0.06 -1.18 0.07 0.00 -0.16 0.00 0.00 57.16 55.95 1iku n GLU 145 Cb 0.03 -0.40 0.21 0.00 1.43 0.00 0.00 31.44 32.71 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 0.23 2.75 -3.77 -1.84 5.15 -1.23 -4.77 115.26 111.78 1iku n ASN 146 Ca -0.05 -2.11 -0.13 0.00 -0.60 0.00 0.00 54.58 51.70 1iku n ASN 146 Cb 0.73 -0.37 -0.10 0.00 -0.53 0.00 0.00 39.78 39.52 1iku n ASN 146 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1iku s THR 147 N -1.51 0.04 0.24 -0.44 -4.23 -1.26 -5.00 115.64 103.48 1iku s THR 147 Ca 0.32 -0.30 0.29 0.00 -1.18 0.00 0.00 61.69 60.82 1iku s THR 147 Cb 0.18 -0.53 0.29 0.00 1.34 0.00 0.00 72.50 73.79 1iku s THR 147 CO 0.19 -0.16 1.89 1.55 -0.54 0.00 0.00 174.62 177.54 1iku h PRO 148 N 4.64 0.00 0.20 3.99 0.13 -1.90 -0.31 132.00 138.76 1iku h PRO 148 Ca -0.28 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.50 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 0.36 0.00 -1.70 0.93 -0.23 0.00 0.00 178.00 177.36 1iku h GLU 149 N 0.00 0.41 -0.02 0.86 5.08 -1.95 -2.67 114.58 116.30 1iku h GLU 149 Ca 0.00 -0.71 -0.16 0.00 -1.00 0.00 0.00 59.36 57.49 1iku h GLU 149 Cb 0.18 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1iku h GLU 149 CO 0.00 1.33 -0.71 0.87 -1.00 0.00 0.00 179.01 179.50 1iku h LYS 150 N 0.11 0.11 -0.05 2.33 1.79 -1.50 -1.19 116.57 118.17 1iku h LYS 150 Ca -0.33 -0.09 -0.22 0.00 -2.18 0.00 0.00 60.65 57.83 1iku h LYS 150 Cb 2.11 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 32.80 1iku h LYS 150 CO 0.19 0.77 -0.82 -0.09 -1.08 0.00 0.00 179.45 178.43 1iku h ARG 151 N 0.07 0.65 -0.15 3.15 2.43 -1.34 -2.84 114.38 116.34 1iku h ARG 151 Ca -0.01 -0.63 -0.15 0.00 -0.81 0.00 0.00 59.98 58.38 1iku h ARG 151 Cb 1.25 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 1iku h ARG 151 CO 0.10 1.23 -0.55 0.00 -1.51 0.00 0.00 179.97 179.24 1iku h ALA 152 N 0.43 0.77 0.06 2.80 0.00 -1.47 -2.82 119.26 119.03 1iku h ALA 152 Ca -0.09 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.32 1iku h ALA 152 Cb 1.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1iku h ALA 152 CO 0.16 0.69 -0.08 0.93 0.00 0.00 0.00 179.25 180.96 1iku h GLU 153 N 0.35 -0.16 -0.08 0.00 5.08 -1.23 0.35 114.58 118.89 1iku h GLU 153 Ca 0.01 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1iku h GLU 153 Cb 1.07 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 1iku h GLU 153 CO 0.10 -0.10 -0.23 0.87 -1.00 0.00 0.00 179.01 178.64 1iku h LYS 154 N -0.16 -0.31 -0.57 2.33 1.79 -1.46 0.28 116.57 118.48 1iku h LYS 154 Ca 0.01 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.56 1iku h LYS 154 Cb 0.17 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 1iku h LYS 154 CO -0.04 -0.21 0.38 0.82 -1.08 0.00 0.00 179.45 179.32 1iku h ILE 155 N -0.32 1.01 0.00 1.86 2.04 -1.22 0.29 117.51 121.16 1iku h ILE 155 Ca 0.08 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1iku h ILE 155 Cb 0.44 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1iku h ILE 155 CO -0.26 0.10 0.00 1.87 0.00 0.00 0.00 178.15 179.86 1iku n TRP 156 N -4.47 0.00 -0.05 1.37 -0.00 0.12 -1.91 117.44 112.49 1iku n TRP 156 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.49 1iku n TRP 156 Cb 0.21 -0.49 -0.15 0.00 -0.00 0.00 0.00 31.31 30.89 1iku n TRP 156 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1iku n GLY 157 N 1.15 -1.01 0.13 5.87 0.00 0.93 -4.31 105.19 107.96 1iku n GLY 157 Ca 0.07 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1iku n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iku n PHE 158 N -2.89 1.16 0.00 1.61 3.72 -0.68 -4.38 117.46 116.00 1iku n PHE 158 Ca -0.23 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1iku n PHE 158 Cb 1.08 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 1iku n PHE 158 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1iku n PHE 159 N -3.62 0.00 0.00 1.38 3.72 -0.80 -4.72 117.46 113.41 1iku n PHE 159 Ca -0.33 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 1iku n PHE 159 Cb 0.99 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 1iku n PHE 159 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iku n GLY 160 N -0.98 0.32 0.00 1.37 0.00 -1.26 -4.98 105.19 99.66 1iku n GLY 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iku n GLY 160 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iku n LYS 161 N 0.00 1.92 -0.54 1.61 4.76 -1.26 -5.00 118.16 119.65 1iku n LYS 161 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1iku n LYS 161 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1iku n LYS 161 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1iku n LYS 162 N 0.00 0.96 -1.62 1.97 2.85 -1.26 -3.80 118.16 117.26 1iku n LYS 162 Ca 0.00 0.00 -0.50 0.00 -1.05 0.00 0.00 58.31 56.76 1iku n LYS 162 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 1iku n LYS 162 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1iku n ASP 163 N -2.46 2.18 -0.25 -5.58 5.68 -1.26 -3.87 116.55 110.99 1iku n ASP 163 Ca 0.00 1.11 0.00 0.00 -0.50 0.00 0.00 54.79 55.40 1iku n ASP 163 Cb 0.00 -1.28 0.00 0.00 -1.14 0.00 0.00 41.12 38.70 1iku n ASP 163 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1iku n ASP 164 N 2.84 -0.34 -3.64 -1.12 8.00 -1.26 -5.13 116.55 115.90 1iku n ASP 164 Ca 0.18 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.65 1iku n ASP 164 Cb 0.23 -0.12 -0.05 0.00 -0.02 0.00 0.00 41.12 41.16 1iku n ASP 164 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1iku s ASP 165 N -2.09 -1.07 0.39 -2.24 2.15 -1.25 -5.01 116.67 107.55 1iku s ASP 165 Ca 0.00 1.53 -0.08 0.00 0.43 0.00 0.00 52.55 54.44 1iku s ASP 165 Cb 0.00 2.03 -0.05 0.00 -0.30 0.00 0.00 42.92 44.59 1iku s ASP 165 CO 0.00 -0.22 0.71 -0.54 -0.17 0.00 0.00 175.17 174.95 1iku s LYS 166 N 2.52 3.69 -0.07 4.34 3.01 -1.26 -4.70 119.74 127.26 1iku s LYS 166 Ca -0.07 0.28 0.04 0.00 -1.01 0.00 0.00 55.97 55.21 1iku s LYS 166 Cb -0.10 -2.46 -0.01 0.00 -1.01 0.00 0.00 37.83 34.25 1iku s LYS 166 CO -0.19 -0.00 -0.20 -0.51 0.51 0.00 0.00 175.35 174.96 1iku s LEU 167 N -3.97 2.37 0.37 3.17 1.43 -1.06 -4.96 118.68 116.03 1iku s LEU 167 Ca 0.48 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 1iku s LEU 167 Cb -0.10 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 1iku s LEU 167 CO 0.34 0.25 0.54 0.42 0.23 0.00 0.00 176.35 178.13 1iku s THR 168 N -0.16 4.41 0.64 5.49 -4.23 -1.26 -2.11 115.64 118.42 1iku s THR 168 Ca -0.02 -0.71 0.15 0.00 -1.18 0.00 0.00 61.69 59.93 1iku s THR 168 Cb -0.14 -3.59 0.19 0.00 1.34 0.00 0.00 72.50 70.31 1iku s THR 168 CO 0.04 -0.32 1.33 1.05 -0.54 0.00 0.00 174.62 176.17 1iku h GLU 169 N 0.73 0.00 0.00 3.99 4.11 -1.98 -1.42 114.58 120.01 1iku h GLU 169 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1iku h GLU 169 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1iku h GLU 169 CO 0.57 0.00 -0.10 0.87 0.07 0.00 0.00 179.01 180.43 1iku h LYS 170 N 0.00 0.00 -1.58 1.06 1.57 -1.94 -2.79 116.57 112.88 1iku h LYS 170 Ca 0.15 0.00 0.47 0.00 -1.87 0.00 0.00 60.65 59.40 1iku h LYS 170 Cb 1.93 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 34.16 1iku h LYS 170 CO -0.00 0.00 1.12 0.93 -0.57 0.00 0.00 179.45 180.92 1iku h GLU 171 N -0.28 0.03 0.09 3.15 5.08 -1.72 0.75 114.58 121.68 1iku h GLU 171 Ca 0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1iku h GLU 171 Cb 0.10 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1iku h GLU 171 CO 0.00 0.02 -0.04 0.35 -1.00 0.00 0.00 179.01 178.34 1iku h PHE 172 N 0.03 -0.11 0.62 4.33 3.57 -1.44 -0.38 116.94 123.55 1iku h PHE 172 Ca 0.80 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 62.27 1iku h PHE 172 Cb 3.02 0.04 0.01 0.00 2.79 0.00 0.00 35.95 41.80 1iku h PHE 172 CO -0.00 0.16 -0.30 0.82 -2.23 0.00 0.00 178.31 176.76 1iku h ILE 173 N -1.00 0.33 0.00 1.41 1.08 -0.69 -2.63 117.51 116.01 1iku h ILE 173 Ca -0.01 -0.20 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 1iku h ILE 173 Cb 0.32 0.40 -0.00 0.00 -3.07 0.00 0.00 36.82 34.46 1iku h ILE 173 CO 0.02 0.03 -0.10 -0.33 -0.69 0.00 0.00 178.15 177.08 1iku h GLU 174 N -0.97 0.00 -0.91 2.37 5.08 0.23 -1.67 114.58 118.71 1iku h GLU 174 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1iku h GLU 174 Cb 0.68 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1iku h GLU 174 CO 0.14 0.10 0.54 0.78 -1.00 0.00 0.00 179.01 179.56 1iku h GLY 175 N 0.44 1.33 0.00 -3.84 0.00 -0.71 -0.80 103.07 99.49 1iku h GLY 175 Ca -0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1iku h GLY 175 CO 0.01 0.55 -0.07 -0.91 0.00 0.00 0.00 176.54 176.12 1iku h THR 176 N 1.26 0.89 0.00 4.70 1.35 -1.05 -2.49 112.91 117.56 1iku h THR 176 Ca 0.32 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 1iku h THR 176 Cb -0.03 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1iku h THR 176 CO -0.06 0.30 0.14 0.18 -0.25 0.00 0.00 175.52 175.83 1iku n LEU 177 N -4.68 0.35 -0.03 3.87 7.99 -0.69 -2.97 117.00 120.84 1iku n LEU 177 Ca -0.06 0.60 -0.03 0.00 -0.01 0.00 0.00 56.01 56.51 1iku n LEU 177 Cb 0.26 -0.61 -0.01 0.00 -0.11 0.00 0.00 43.42 42.96 1iku n LEU 177 CO 0.17 -0.72 -0.22 0.00 -1.51 0.00 0.00 177.39 175.11 1iku n ALA 178 N -1.61 0.28 -1.96 -1.18 0.00 -0.31 -4.97 120.51 110.77 1iku n ALA 178 Ca -0.01 -0.38 -0.33 0.00 0.00 0.00 0.00 53.44 52.72 1iku n ALA 178 Cb 0.16 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.56 1iku n ALA 178 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1iku s ASN 179 N -4.63 6.91 -0.15 0.00 3.04 -0.94 -4.99 114.94 114.19 1iku s ASN 179 Ca -0.09 1.52 -0.15 0.00 0.04 0.00 0.00 52.86 54.18 1iku s ASN 179 Cb 0.01 -2.47 -0.24 0.00 -1.54 0.00 0.00 41.25 37.01 1iku s ASN 179 CO 0.14 -0.25 0.37 0.11 -3.04 0.00 0.00 177.10 174.43 1iku h LYS 180 N 2.23 0.16 0.08 0.43 6.56 -1.88 -3.31 116.57 120.84 1iku h LYS 180 Ca -0.48 -0.27 0.01 0.00 -1.06 0.00 0.00 60.65 58.85 1iku h LYS 180 Cb 1.18 0.10 -0.04 0.00 -0.57 0.00 0.00 32.23 32.89 1iku h LYS 180 CO 0.63 1.13 -0.48 0.93 -2.06 0.00 0.00 179.45 179.60 1iku h GLU 181 N -0.45 -0.64 -0.83 3.15 5.08 -1.94 0.07 114.58 119.02 1iku h GLU 181 Ca -0.36 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.21 1iku h GLU 181 Cb 1.67 0.15 -0.16 0.00 0.50 0.00 0.00 28.75 30.91 1iku h GLU 181 CO -0.03 -0.43 -0.20 0.82 -1.00 0.00 0.00 179.01 178.17 1iku h ILE 182 N -0.67 0.17 -0.03 3.13 2.04 -1.90 1.26 117.51 121.51 1iku h ILE 182 Ca -0.00 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1iku h ILE 182 Cb 0.68 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1iku h ILE 182 CO -0.28 0.00 0.02 0.25 0.00 0.00 0.00 178.15 178.15 1iku h LEU 183 N 0.00 0.03 0.00 1.44 5.85 -1.38 0.29 115.31 121.53 1iku h LEU 183 Ca 0.40 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.12 1iku h LEU 183 Cb 0.61 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1iku h LEU 183 CO -0.85 0.02 -0.10 -1.14 -0.34 0.00 0.00 178.44 176.03 1iku n ARG 184 N -4.53 0.10 -0.00 1.25 0.63 0.42 -3.50 116.66 111.02 1iku n ARG 184 Ca -0.02 0.07 0.04 0.00 -0.92 0.00 0.00 57.85 57.02 1iku n ARG 184 Cb 0.10 -1.60 -0.06 0.00 0.45 0.00 0.00 32.46 31.34 1iku n ARG 184 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1iku n LEU 185 N -1.77 0.09 -0.06 6.15 4.77 -0.30 -4.34 117.00 121.54 1iku n LEU 185 Ca 0.06 -0.11 -0.03 0.00 -0.03 0.00 0.00 56.01 55.91 1iku n LEU 185 Cb 0.37 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1iku n LEU 185 CO 0.30 0.02 -0.02 -0.29 -1.33 0.00 0.00 177.39 176.07 1iku h ILE 186 N 0.00 0.22 -0.91 -0.08 -0.00 -0.59 -3.36 117.51 112.78 1iku h ILE 186 Ca 0.00 -1.18 -0.57 0.00 -0.00 0.00 0.00 64.86 63.11 1iku h ILE 186 Cb 0.35 0.43 -0.27 0.00 -0.00 0.00 0.00 36.82 37.33 1iku h ILE 186 CO 0.00 0.07 0.74 0.00 -0.00 0.00 0.00 178.15 178.96 1iku n GLN 187 N -4.73 2.41 0.00 2.19 10.64 -1.23 -4.95 117.38 121.71 1iku n GLN 187 Ca -0.03 -2.91 0.00 0.00 -1.83 0.00 0.00 57.00 52.23 1iku n GLN 187 Cb 0.11 -2.14 0.00 0.00 -0.86 0.00 0.00 30.24 27.35 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 -0.79 0.00 -1.90 2.61 7.35 -1.26 -4.46 117.46 119.00 1iku n PHE 188 Ca 0.56 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.25 1iku n PHE 188 Cb 0.94 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.77 1iku n PHE 188 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09