#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dio s ALA 38 N 0.00 0.48 0.36 -1.46 0.00 -1.26 -5.09 121.76 114.79 1dio s ALA 38 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.33 1dio s ALA 38 Cb 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1dio s ALA 38 CO 0.00 -0.03 0.07 1.03 0.00 0.00 0.00 175.76 176.83 1dio s ARG 39 N -1.37 1.77 0.50 0.00 0.52 -1.26 -3.50 118.95 115.62 1dio s ARG 39 Ca -0.09 -2.02 0.18 0.00 -0.52 0.00 0.00 55.73 53.28 1dio s ARG 39 Cb -0.09 -0.92 1.27 0.00 0.52 0.00 0.00 34.95 35.73 1dio s ARG 39 CO 0.00 -0.25 2.10 -0.39 0.02 0.00 0.00 175.30 176.78 1dio h VAL 40 N 1.96 0.94 0.00 3.52 -1.51 -1.87 1.20 116.25 120.50 1dio h VAL 40 Ca -0.40 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1dio h VAL 40 Cb 1.26 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 1dio h VAL 40 CO 0.68 0.08 0.00 -1.54 -1.23 0.00 0.00 177.57 175.56 1dio n SER 41 N -4.28 0.00 -0.06 4.19 3.41 -1.26 -1.11 113.62 114.50 1dio n SER 41 Ca -0.03 0.48 0.12 0.00 -0.26 0.00 0.00 58.87 59.17 1dio n SER 41 Cb 0.16 -0.48 0.17 0.00 -0.26 0.00 0.00 64.21 63.79 1dio n SER 41 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1dio n ASP 42 N -1.48 0.78 -4.78 4.04 8.00 0.41 -4.93 116.55 118.58 1dio n ASP 42 Ca 0.02 -0.59 -0.39 0.00 0.71 0.00 0.00 54.79 54.54 1dio n ASP 42 Cb 0.11 0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 41.57 1dio n ASP 42 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1dio s TYR 43 N -2.90 3.88 0.15 1.24 6.14 -0.27 -3.09 117.35 122.51 1dio s TYR 43 Ca 0.13 1.55 -0.30 0.00 0.64 0.00 0.00 57.07 59.09 1dio s TYR 43 Cb 0.17 -2.71 -0.07 0.00 0.42 0.00 0.00 41.96 39.78 1dio s TYR 43 CO 0.71 0.53 1.04 -1.25 0.64 0.00 0.00 175.55 177.21 1dio s PRO 44 N -1.12 4.65 0.56 4.97 0.04 -1.26 -4.92 135.00 137.92 1dio s PRO 44 Ca 0.34 1.60 0.31 0.00 0.04 0.00 0.00 61.00 63.29 1dio s PRO 44 Cb -0.22 -3.32 1.46 0.00 0.04 0.00 0.00 34.50 32.46 1dio s PRO 44 CO 0.25 0.15 1.86 -0.07 0.04 0.00 0.00 177.00 179.23 1dio h LEU 45 N 5.28 0.00 0.00 -3.56 3.38 -1.90 -0.91 115.31 117.59 1dio h LEU 45 Ca -0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1dio h LEU 45 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1dio h LEU 45 CO 0.72 0.00 -0.96 0.00 0.09 0.00 0.00 178.44 178.29 1dio h ALA 46 N 1.46 0.55 0.10 1.53 0.00 -1.89 -1.88 119.26 119.13 1dio h ALA 46 Ca 0.36 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.88 1dio h ALA 46 Cb 1.60 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1dio h ALA 46 CO -0.00 0.07 -1.72 -0.91 0.00 0.00 0.00 179.25 176.69 1dio h ASN 47 N 0.00 0.32 0.12 0.00 -0.26 -1.72 -3.40 115.58 110.64 1dio h ASN 47 Ca -0.01 -0.56 -0.36 0.00 -0.56 0.00 0.00 56.30 54.81 1dio h ASN 47 Cb 1.05 -0.10 -0.06 0.00 -1.06 0.00 0.00 38.32 38.15 1dio h ASN 47 CO 0.00 1.49 -2.22 0.29 -1.06 0.00 0.00 177.43 175.93 1dio n LYS 48 N -3.38 0.68 -2.70 0.81 4.76 -0.43 -4.78 118.16 113.13 1dio n LYS 48 Ca -0.21 0.14 -0.07 0.00 -2.87 0.00 0.00 58.31 55.30 1dio n LYS 48 Cb 1.05 -1.60 0.06 0.00 -1.84 0.00 0.00 35.03 32.70 1dio n LYS 48 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1dio n HIS 49 N -3.06 -0.01 -0.03 2.13 8.25 -0.77 -4.99 115.22 116.74 1dio n HIS 49 Ca -0.33 -2.38 0.07 0.00 -0.26 0.00 0.00 57.72 54.82 1dio n HIS 49 Cb 1.07 0.30 0.46 0.00 1.12 0.00 0.00 29.99 32.95 1dio n HIS 49 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1dio h PRO 50 N 2.53 0.47 -0.09 -0.41 0.14 -1.61 -1.38 132.00 131.64 1dio h PRO 50 Ca -0.18 -0.03 0.03 0.00 0.14 0.00 0.00 66.00 65.96 1dio h PRO 50 Cb 1.23 -0.11 -0.00 0.00 0.14 0.00 0.00 31.00 32.27 1dio h PRO 50 CO 0.25 0.31 0.33 0.93 0.14 0.00 0.00 178.00 179.96 1dio h GLU 51 N 0.48 0.00 0.00 0.86 3.07 -1.94 0.77 114.58 117.82 1dio h GLU 51 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1dio h GLU 51 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1dio h GLU 51 CO -0.05 0.00 0.00 -1.49 -1.40 0.00 0.00 179.01 176.07 1dio h TRP 52 N 0.00 0.00 -3.81 4.33 4.06 -1.59 -3.45 115.95 115.49 1dio h TRP 52 Ca 0.04 0.00 -0.64 0.00 2.06 0.00 0.00 58.89 60.36 1dio h TRP 52 Cb 0.71 0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 28.71 1dio h TRP 52 CO 0.00 0.00 -0.52 0.08 -3.56 0.00 0.00 178.44 174.44 1dio s VAL 53 N -3.23 5.27 0.10 1.49 1.01 0.26 -4.82 120.40 120.47 1dio s VAL 53 Ca 0.07 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1dio s VAL 53 Cb 0.10 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1dio s VAL 53 CO 0.55 0.28 -0.09 -0.54 0.00 0.00 0.00 175.10 175.29 1dio s LYS 54 N 1.58 0.84 0.69 2.72 1.02 -1.26 -4.27 119.74 121.05 1dio s LYS 54 Ca 0.07 -1.18 -0.00 0.00 0.02 0.00 0.00 55.97 54.88 1dio s LYS 54 Cb -0.15 -0.48 0.11 0.00 -0.52 0.00 0.00 37.83 36.79 1dio s LYS 54 CO 0.09 0.06 0.95 0.95 -0.92 0.00 0.00 175.35 176.48 1dio s THR 55 N -2.60 2.24 0.65 2.17 -4.23 0.15 -4.22 115.64 109.80 1dio s THR 55 Ca 0.06 -0.60 0.41 0.00 -1.18 0.00 0.00 61.69 60.38 1dio s THR 55 Cb -0.02 -2.64 0.43 0.00 1.34 0.00 0.00 72.50 71.60 1dio s THR 55 CO -0.01 0.00 2.35 0.00 -0.54 0.00 0.00 174.62 176.42 1dio h ALA 56 N -0.41 1.13 -0.67 3.99 0.00 -1.69 -1.13 119.26 120.48 1dio h ALA 56 Ca -0.38 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.17 1dio h ALA 56 Cb 1.28 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.85 1dio h ALA 56 CO 0.43 0.00 0.25 0.25 0.00 0.00 0.00 179.25 180.18 1dio n THR 57 N -3.27 2.89 -4.17 0.00 -2.24 -1.26 -4.93 114.28 101.29 1dio n THR 57 Ca -0.03 -2.49 -0.34 0.00 -2.27 0.00 0.00 64.05 58.92 1dio n THR 57 Cb 0.07 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 67.82 1dio n THR 57 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1dio n ASN 58 N -1.11 -2.70 -4.92 3.42 4.05 -0.43 -4.98 115.26 108.60 1dio n ASN 58 Ca 0.46 -1.01 -0.26 0.00 0.45 0.00 0.00 54.58 54.22 1dio n ASN 58 Cb 1.27 -2.82 -0.01 0.00 1.23 0.00 0.00 39.78 39.45 1dio n ASN 58 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1dio s LYS 59 N -6.87 3.55 0.12 1.20 -0.14 -1.25 -4.75 119.74 111.60 1dio s LYS 59 Ca 0.58 0.01 0.01 0.00 -1.36 0.00 0.00 55.97 55.21 1dio s LYS 59 Cb -0.32 -2.51 -0.04 0.00 -1.68 0.00 0.00 37.83 33.29 1dio s LYS 59 CO 0.92 -0.03 0.27 0.99 -0.76 0.00 0.00 175.35 176.75 1dio s THR 60 N -2.50 5.33 0.29 2.17 2.01 -1.26 0.34 115.64 122.02 1dio s THR 60 Ca 0.45 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1dio s THR 60 Cb -0.10 -3.70 0.28 0.00 0.01 0.00 0.00 72.50 68.99 1dio s THR 60 CO 0.39 -0.01 1.72 -0.07 -0.69 0.00 0.00 174.62 175.95 1dio h LEU 61 N 2.47 0.41 0.00 4.42 3.38 -1.88 0.30 115.31 124.41 1dio h LEU 61 Ca -0.47 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1dio h LEU 61 Cb 1.18 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1dio h LEU 61 CO 0.71 0.07 0.00 0.47 0.09 0.00 0.00 178.44 179.78 1dio n ASP 62 N -4.99 0.00 -0.00 -0.43 9.92 -1.26 -1.16 116.55 118.63 1dio n ASP 62 Ca 0.21 0.04 0.13 0.00 -0.53 0.00 0.00 54.79 54.65 1dio n ASP 62 Cb 0.60 -0.29 0.50 0.00 -0.64 0.00 0.00 41.12 41.29 1dio n ASP 62 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1dio n ASP 63 N -1.29 0.17 -4.35 -2.24 8.00 0.10 -4.56 116.55 112.37 1dio n ASP 63 Ca 0.08 0.25 -0.46 0.00 0.71 0.00 0.00 54.79 55.37 1dio n ASP 63 Cb 0.15 -0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 40.98 1dio n ASP 63 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1dio s PHE 64 N -3.00 3.70 0.26 1.24 0.08 -0.31 -4.81 117.98 115.14 1dio s PHE 64 Ca 0.13 -1.94 0.11 0.00 0.12 0.00 0.00 56.93 55.35 1dio s PHE 64 Cb 0.19 -3.89 -0.05 0.00 -0.57 0.00 0.00 43.02 38.70 1dio s PHE 64 CO 0.59 -1.06 -0.20 0.95 -0.10 0.00 0.00 175.22 175.40 1dio s THR 65 N 0.47 2.36 0.11 0.64 -4.23 -1.26 -5.02 115.64 108.70 1dio s THR 65 Ca 0.21 -2.34 -0.25 0.00 -1.18 0.00 0.00 61.69 58.13 1dio s THR 65 Cb -0.09 -2.24 -0.07 0.00 1.34 0.00 0.00 72.50 71.43 1dio s THR 65 CO -0.09 -0.40 1.65 0.25 -0.54 0.00 0.00 174.62 175.50 1dio h LEU 66 N 2.42 -0.60 0.04 4.79 5.85 -1.98 0.23 115.31 126.06 1dio h LEU 66 Ca -0.40 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.42 1dio h LEU 66 Cb 1.25 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.47 1dio h LEU 66 CO 0.59 -0.29 -0.38 -0.33 -0.34 0.00 0.00 178.44 177.70 1dio h GLU 67 N -0.37 -0.54 0.00 1.25 4.39 -1.98 0.34 114.58 117.67 1dio h GLU 67 Ca 0.04 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1dio h GLU 67 Cb 0.41 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1dio h GLU 67 CO -0.15 -0.36 -0.03 -0.91 -1.16 0.00 0.00 179.01 176.40 1dio h ASN 68 N -0.56 0.00 -0.18 1.42 4.21 -1.81 0.51 115.58 119.16 1dio h ASN 68 Ca 0.04 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.36 1dio h ASN 68 Cb 0.62 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.83 1dio h ASN 68 CO -0.27 0.03 -0.64 0.58 -1.29 0.00 0.00 177.43 175.84 1dio h VAL 69 N 0.00 1.30 0.21 2.81 2.07 0.01 -1.70 116.25 120.94 1dio h VAL 69 Ca -0.00 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.65 1dio h VAL 69 Cb 0.06 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1dio h VAL 69 CO 0.00 0.59 -0.10 -0.07 0.02 0.00 0.00 177.57 178.01 1dio h LEU 70 N 0.47 -0.24 -0.09 2.57 3.38 0.39 -3.06 115.31 118.74 1dio h LEU 70 Ca -0.03 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1dio h LEU 70 Cb 1.27 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1dio h LEU 70 CO 0.14 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 177.17 1dio n SER 71 N -5.10 0.07 -0.69 -0.43 3.41 0.71 -4.89 113.62 106.70 1dio n SER 71 Ca -0.09 0.52 -0.07 0.00 -0.26 0.00 0.00 58.87 58.97 1dio n SER 71 Cb 0.21 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.62 1dio n SER 71 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1dio n ASN 72 N -1.58 -3.24 0.16 4.04 3.02 -0.93 -4.86 115.26 111.88 1dio n ASN 72 Ca 0.03 0.08 0.01 0.00 -0.03 0.00 0.00 54.58 54.67 1dio n ASN 72 Cb 0.14 -2.00 0.32 0.00 -0.61 0.00 0.00 39.78 37.63 1dio n ASN 72 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1dio h LYS 73 N 0.00 0.06 -6.01 3.52 1.57 -1.64 -3.42 116.57 110.65 1dio h LYS 73 Ca -0.16 -0.02 -0.68 0.00 -1.87 0.00 0.00 60.65 57.91 1dio h LYS 73 Cb 0.81 -0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.84 1dio h LYS 73 CO 0.21 0.43 -0.83 0.08 -0.57 0.00 0.00 179.45 178.77 1dio s VAL 74 N -4.19 2.57 0.33 0.50 1.01 -0.73 -5.04 120.40 114.86 1dio s VAL 74 Ca -0.03 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1dio s VAL 74 Cb 0.14 -1.99 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 1dio s VAL 74 CO 0.74 0.57 0.02 -0.89 0.00 0.00 0.00 175.10 175.54 1dio s THR 75 N -0.27 1.43 0.47 3.92 2.01 -1.26 -4.58 115.64 117.36 1dio s THR 75 Ca 0.00 -2.03 0.15 0.00 0.31 0.00 0.00 61.69 60.12 1dio s THR 75 Cb -0.13 -2.74 0.31 0.00 0.01 0.00 0.00 72.50 69.95 1dio s THR 75 CO 0.03 -0.08 2.05 0.00 -0.69 0.00 0.00 174.62 175.93 1dio h ALA 76 N 2.10 2.01 -0.37 7.40 0.00 -2.00 0.06 119.26 128.46 1dio h ALA 76 Ca -0.41 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.51 1dio h ALA 76 Cb 1.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1dio h ALA 76 CO 0.71 -0.07 0.25 1.96 0.00 0.00 0.00 179.25 182.09 1dio h GLN 77 N 0.26 0.42 -0.45 0.00 4.20 -2.04 -2.90 115.11 114.60 1dio h GLN 77 Ca 0.16 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 1dio h GLN 77 Cb 0.29 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1dio h GLN 77 CO -0.03 0.28 -0.04 -0.44 -0.67 0.00 0.00 178.83 177.93 1dio h ASP 78 N 0.43 0.81 -0.82 1.46 3.32 -1.37 -3.41 116.42 116.84 1dio h ASP 78 Ca 0.15 -0.33 -0.70 0.00 0.02 0.00 0.00 57.03 56.17 1dio h ASP 78 Cb 0.06 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 39.31 1dio h ASP 78 CO -0.03 0.95 2.34 0.23 -1.72 0.00 0.00 179.24 181.00 1dio n MET 79 N -4.34 3.15 -3.77 3.56 2.81 -1.10 -4.29 117.12 113.15 1dio n MET 79 Ca -0.00 -3.19 -0.14 0.00 -1.81 0.00 0.00 57.70 52.56 1dio n MET 79 Cb 0.33 -3.36 -0.15 0.00 -0.71 0.00 0.00 33.22 29.33 1dio n MET 79 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1dio s ARG 80 N 3.44 0.02 0.29 0.03 6.06 -1.26 -5.02 118.95 122.50 1dio s ARG 80 Ca 0.50 0.25 -0.29 0.00 -2.50 0.00 0.00 55.73 53.69 1dio s ARG 80 Cb 0.06 -0.20 -0.10 0.00 0.06 0.00 0.00 34.95 34.77 1dio s ARG 80 CO 0.02 -0.16 1.41 -1.50 -2.50 0.00 0.00 175.30 172.58 1dio s ILE 81 N 1.04 2.58 0.41 4.11 2.07 -1.26 -2.70 121.20 127.45 1dio s ILE 81 Ca -0.08 0.52 -0.11 0.00 -1.41 0.00 0.00 60.65 59.57 1dio s ILE 81 Cb -0.12 -3.33 -0.07 0.00 0.13 0.00 0.00 42.46 39.08 1dio s ILE 81 CO -0.04 0.10 0.78 0.42 -1.91 0.00 0.00 174.94 174.29 1dio s THR 82 N -0.45 4.77 0.43 4.00 -4.23 -1.26 -4.78 115.64 114.12 1dio s THR 82 Ca 0.56 0.65 0.13 0.00 -1.18 0.00 0.00 61.69 61.85 1dio s THR 82 Cb -0.42 -3.73 0.17 0.00 1.34 0.00 0.00 72.50 69.87 1dio s THR 82 CO 0.48 -0.52 1.97 1.55 -0.54 0.00 0.00 174.62 177.56 1dio h PRO 83 N 1.26 0.05 0.04 3.99 0.13 -1.94 -2.49 132.00 133.04 1dio h PRO 83 Ca -0.47 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1dio h PRO 83 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1dio h PRO 83 CO 0.64 0.23 -0.02 0.93 -0.23 0.00 0.00 178.00 179.55 1dio h GLU 84 N 0.05 -0.05 -0.58 0.86 3.07 -1.93 -1.81 114.58 114.19 1dio h GLU 84 Ca 0.01 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.93 1dio h GLU 84 Cb 0.34 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.21 1dio h GLU 84 CO 0.02 0.15 0.30 1.15 -1.40 0.00 0.00 179.01 179.23 1dio h THR 85 N -0.24 0.94 -0.46 1.13 2.02 -1.79 -0.46 112.91 114.05 1dio h THR 85 Ca -0.01 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1dio h THR 85 Cb 0.22 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1dio h THR 85 CO 0.01 0.10 0.30 -0.07 0.37 0.00 0.00 175.52 176.23 1dio h LEU 86 N 0.56 0.46 -0.05 2.58 3.38 -1.27 -0.59 115.31 120.38 1dio h LEU 86 Ca 0.26 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.99 1dio h LEU 86 Cb 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1dio h LEU 86 CO -0.18 0.32 -1.05 0.03 0.09 0.00 0.00 178.44 177.65 1dio h ARG 87 N 0.54 0.19 -0.25 1.13 3.08 -0.43 -1.50 114.38 117.13 1dio h ARG 87 Ca 0.18 -0.28 0.04 0.00 0.07 0.00 0.00 59.98 59.99 1dio h ARG 87 Cb 0.05 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1dio h ARG 87 CO -0.04 1.08 0.01 -0.07 -1.07 0.00 0.00 179.97 179.88 1dio h LEU 88 N 0.08 -0.07 -0.90 3.04 4.07 -0.24 -2.56 115.31 118.73 1dio h LEU 88 Ca -0.07 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 1dio h LEU 88 Cb 1.75 0.09 -0.04 0.00 1.08 0.00 0.00 40.66 43.54 1dio h LEU 88 CO 0.16 -0.01 0.55 1.56 -1.08 0.00 0.00 178.44 179.62 1dio h GLN 89 N 0.09 1.21 -0.07 1.13 1.08 -1.05 -0.77 115.11 116.74 1dio h GLN 89 Ca 0.12 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1dio h GLN 89 Cb 0.15 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1dio h GLN 89 CO -0.19 0.84 -0.07 0.00 -0.95 0.00 0.00 178.83 178.46 1dio h ALA 90 N 1.30 1.76 0.06 3.87 0.00 -1.04 0.13 119.26 125.33 1dio h ALA 90 Ca 0.32 -0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.86 1dio h ALA 90 Cb -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1dio h ALA 90 CO -0.06 0.18 -1.32 0.66 0.00 0.00 0.00 179.25 178.71 1dio h SER 91 N 0.10 0.19 -0.52 0.00 4.64 -0.94 -1.59 113.55 115.43 1dio h SER 91 Ca 0.02 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.02 1dio h SER 91 Cb 0.20 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1dio h SER 91 CO 0.01 1.20 0.03 0.40 -0.87 0.00 0.00 176.83 177.60 1dio h ILE 92 N 0.03 1.26 0.23 0.95 2.04 -0.51 -1.02 117.51 120.49 1dio h ILE 92 Ca -0.15 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 1dio h ILE 92 Cb 1.92 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1dio h ILE 92 CO 0.14 0.37 -0.17 0.00 0.00 0.00 0.00 178.15 178.49 1dio h ALA 93 N 0.96 -0.38 -0.77 1.87 0.00 -0.80 -1.66 119.26 118.47 1dio h ALA 93 Ca 0.15 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1dio h ALA 93 Cb 0.48 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1dio h ALA 93 CO 0.02 -0.73 0.44 -0.22 0.00 0.00 0.00 179.25 178.76 1dio h LYS 94 N -0.40 0.74 0.00 0.00 3.64 -1.01 0.84 116.57 120.38 1dio h LYS 94 Ca -0.02 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1dio h LYS 94 Cb 0.35 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1dio h LYS 94 CO 0.00 0.49 -0.01 0.22 -2.27 0.00 0.00 179.45 177.88 1dio h ASP 95 N 0.77 0.00 0.16 4.20 3.58 -0.80 -1.61 116.42 122.71 1dio h ASP 95 Ca 0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.81 1dio h ASP 95 Cb 0.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1dio h ASP 95 CO -0.22 0.01 -0.29 0.00 -2.88 0.00 0.00 179.24 175.86 1dio n ALA 96 N -2.12 3.15 -0.04 -0.78 0.00 0.17 -4.79 120.51 116.11 1dio n ALA 96 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1dio n ALA 96 Cb 0.15 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1dio n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dio n GLY 97 N 1.35 0.72 3.25 0.00 0.00 -0.60 -5.02 105.19 104.88 1dio n GLY 97 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1dio n GLY 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dio s ARG 98 N -0.96 3.82 0.17 1.61 0.52 -0.49 -4.88 118.95 118.73 1dio s ARG 98 Ca 0.00 -3.24 -0.11 0.00 -0.52 0.00 0.00 55.73 51.86 1dio s ARG 98 Cb 0.00 -4.31 0.07 0.00 0.52 0.00 0.00 34.95 31.23 1dio s ARG 98 CO 0.00 -1.25 1.70 -0.44 0.02 0.00 0.00 175.30 175.33 1dio h ASP 99 N 6.41 0.88 -0.02 0.23 3.32 -1.85 -2.40 116.42 122.99 1dio h ASP 99 Ca 0.17 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.87 1dio h ASP 99 Cb 0.85 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1dio h ASP 99 CO 0.95 0.86 -0.42 0.03 -1.72 0.00 0.00 179.24 178.94 1dio h ARG 100 N 0.85 0.55 0.04 3.56 2.47 -1.97 -1.14 114.38 118.74 1dio h ARG 100 Ca 0.19 -0.28 0.03 0.00 -1.26 0.00 0.00 59.98 58.66 1dio h ARG 100 Cb 0.30 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.59 1dio h ARG 100 CO -0.00 0.87 -0.25 1.25 0.56 0.00 0.00 179.97 182.40 1dio h LEU 101 N 0.45 -0.71 -0.70 3.04 5.85 -1.92 -0.46 115.31 120.86 1dio h LEU 101 Ca 0.04 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.91 1dio h LEU 101 Cb 0.92 0.29 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 1dio h LEU 101 CO 0.08 -0.32 0.40 0.00 -0.34 0.00 0.00 178.44 178.26 1dio h ALA 102 N 0.41 0.95 -0.28 1.25 0.00 -1.08 0.07 119.26 120.58 1dio h ALA 102 Ca 0.05 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1dio h ALA 102 Cb 0.47 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1dio h ALA 102 CO -0.19 0.07 -0.04 1.98 0.00 0.00 0.00 179.25 181.07 1dio h MET 103 N 0.72 0.03 -0.30 0.00 1.85 -0.82 -0.27 114.93 116.14 1dio h MET 103 Ca 0.32 -0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.44 1dio h MET 103 Cb 0.20 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.19 1dio h MET 103 CO -0.19 0.02 0.09 -0.97 -0.40 0.00 0.00 176.91 175.46 1dio h ASN 104 N 0.03 0.09 -0.25 1.39 -1.24 -0.15 0.11 115.58 115.56 1dio h ASN 104 Ca 0.13 0.04 0.03 0.00 0.71 0.00 0.00 56.30 57.21 1dio h ASN 104 Cb 0.20 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 1dio h ASN 104 CO -0.26 0.09 0.17 -0.26 -1.29 0.00 0.00 177.43 175.87 1dio h PHE 105 N 0.22 0.18 -0.14 0.67 0.04 -0.46 -0.56 116.94 116.90 1dio h PHE 105 Ca 0.14 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.72 1dio h PHE 105 Cb 0.12 -0.06 0.01 0.00 2.20 0.00 0.00 35.95 38.22 1dio h PHE 105 CO -0.14 0.10 -0.65 0.93 -0.60 0.00 0.00 178.31 177.95 1dio h GLU 106 N 0.18 0.68 -0.99 1.51 3.07 0.70 -1.23 114.58 118.51 1dio h GLU 106 Ca 0.11 -0.55 0.10 0.00 -0.50 0.00 0.00 59.36 58.52 1dio h GLU 106 Cb 0.19 0.11 -0.08 0.00 -0.84 0.00 0.00 28.75 28.14 1dio h GLU 106 CO -0.02 1.17 0.63 0.00 -1.40 0.00 0.00 179.01 179.39 1dio h ARG 107 N 0.37 0.99 -0.33 2.33 3.08 -0.49 -2.54 114.38 117.78 1dio h ARG 107 Ca -0.04 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 1dio h ARG 107 Cb 1.28 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 1dio h ARG 107 CO 0.13 0.65 -0.36 0.00 -1.07 0.00 0.00 179.97 179.33 1dio h ALA 108 N 1.52 0.49 -0.80 0.04 0.00 -1.01 -2.66 119.26 116.84 1dio h ALA 108 Ca 0.47 -0.44 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1dio h ALA 108 Cb 0.40 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1dio h ALA 108 CO -0.23 0.57 0.46 0.00 0.00 0.00 0.00 179.25 180.05 1dio h ALA 109 N 0.73 1.13 -0.58 0.00 0.00 -0.79 0.30 119.26 120.05 1dio h ALA 109 Ca 0.05 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1dio h ALA 109 Cb 0.94 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1dio h ALA 109 CO 0.09 0.09 0.39 0.93 0.00 0.00 0.00 179.25 180.75 1dio h GLU 110 N 0.78 0.53 0.00 0.00 5.08 -1.34 -3.17 114.58 116.45 1dio h GLU 110 Ca 0.38 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1dio h GLU 110 Cb 0.34 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1dio h GLU 110 CO -0.24 0.35 -0.59 1.28 -1.00 0.00 0.00 179.01 178.81 1dio n LEU 111 N -4.48 0.64 -0.29 1.33 4.77 0.99 -2.35 117.00 117.62 1dio n LEU 111 Ca 0.08 0.20 0.06 0.00 -0.03 0.00 0.00 56.01 56.32 1dio n LEU 111 Cb 0.25 -0.20 0.21 0.00 -2.33 0.00 0.00 43.42 41.35 1dio n LEU 111 CO 0.34 -0.02 1.09 0.71 -1.33 0.00 0.00 177.39 178.18 1dio h THR 112 N 0.00 0.73 -0.77 -5.08 1.35 -1.40 -1.27 112.91 106.47 1dio h THR 112 Ca 0.00 -0.21 0.10 0.00 -0.55 0.00 0.00 66.41 65.75 1dio h THR 112 Cb 0.70 0.08 -0.05 0.00 -1.73 0.00 0.00 68.15 67.14 1dio h THR 112 CO 0.00 0.11 0.51 0.00 -0.25 0.00 0.00 175.52 175.89 1dio h ALA 113 N 1.55 1.80 -2.54 6.62 0.00 -1.68 -3.42 119.26 121.59 1dio h ALA 113 Ca 0.45 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.82 1dio h ALA 113 Cb 0.63 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1dio h ALA 113 CO -0.36 0.03 0.47 0.08 0.00 0.00 0.00 179.25 179.47 1dio s VAL 114 N -5.63 4.20 0.50 0.00 1.01 -0.48 -5.00 120.40 114.99 1dio s VAL 114 Ca -0.09 1.71 -0.22 0.00 0.00 0.00 0.00 61.98 63.37 1dio s VAL 114 Cb 0.20 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 1dio s VAL 114 CO 0.78 0.21 1.26 -2.84 0.00 0.00 0.00 175.10 174.51 1dio s PRO 115 N 0.40 3.47 0.15 2.72 0.02 -1.26 -4.77 135.00 135.72 1dio s PRO 115 Ca 0.52 2.01 -0.28 0.00 0.02 0.00 0.00 61.00 63.28 1dio s PRO 115 Cb -0.27 -2.35 -0.02 0.00 0.02 0.00 0.00 34.50 31.88 1dio s PRO 115 CO 0.31 -0.85 1.57 -0.44 -0.33 0.00 0.00 177.00 177.26 1dio h ASP 116 N 1.79 -1.42 -0.50 2.53 5.19 -1.94 0.69 116.42 122.76 1dio h ASP 116 Ca -0.50 0.21 0.10 0.00 -0.62 0.00 0.00 57.03 56.22 1dio h ASP 116 Cb 1.27 0.61 -0.08 0.00 0.18 0.00 0.00 39.33 41.31 1dio h ASP 116 CO 0.59 -0.38 0.02 0.44 -3.12 0.00 0.00 179.24 176.79 1dio h ASP 117 N -0.36 -0.18 -0.60 6.45 3.32 -2.00 -1.71 116.42 121.34 1dio h ASP 117 Ca 0.12 0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 1dio h ASP 117 Cb 0.59 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1dio h ASP 117 CO -0.54 -0.06 -0.03 -0.09 -1.72 0.00 0.00 179.24 176.80 1dio h ARG 118 N 0.13 1.08 -0.47 3.56 9.65 -0.48 -2.09 114.38 125.75 1dio h ARG 118 Ca 0.25 -0.36 0.10 0.00 -1.10 0.00 0.00 59.98 58.87 1dio h ARG 118 Cb 0.38 -0.09 -0.09 0.00 -1.39 0.00 0.00 29.97 28.78 1dio h ARG 118 CO -0.41 1.06 -0.16 0.82 2.80 0.00 0.00 179.97 184.09 1dio h ILE 119 N 0.97 0.45 -0.63 1.20 1.08 0.48 0.67 117.51 121.73 1dio h ILE 119 Ca 0.17 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.70 1dio h ILE 119 Cb 0.59 0.45 -0.06 0.00 -3.07 0.00 0.00 36.82 34.74 1dio h ILE 119 CO 0.04 0.00 0.32 -0.07 -0.69 0.00 0.00 178.15 177.75 1dio h LEU 120 N -0.05 0.45 -0.24 1.44 3.38 -1.18 0.41 115.31 119.51 1dio h LEU 120 Ca 0.23 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1dio h LEU 120 Cb 0.40 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1dio h LEU 120 CO -0.51 0.29 0.13 -0.08 0.09 0.00 0.00 178.44 178.36 1dio h GLU 121 N 0.60 0.34 -0.33 1.13 4.81 -0.88 -1.16 114.58 119.08 1dio h GLU 121 Ca 0.29 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.34 1dio h GLU 121 Cb 0.22 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1dio h GLU 121 CO -0.20 0.31 -0.36 0.82 -0.73 0.00 0.00 179.01 178.85 1dio h ILE 122 N 0.28 1.28 0.10 2.32 2.04 0.16 -2.58 117.51 121.12 1dio h ILE 122 Ca 0.09 -1.52 0.01 0.00 1.00 0.00 0.00 64.86 64.43 1dio h ILE 122 Cb 0.07 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1dio h ILE 122 CO -0.01 0.50 -0.14 0.22 0.00 0.00 0.00 178.15 178.72 1dio h TYR 123 N 0.63 -0.36 -0.58 1.37 3.20 -0.05 -2.47 116.97 118.70 1dio h TYR 123 Ca 0.06 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1dio h TYR 123 Cb 0.90 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 1dio h TYR 123 CO 0.05 -0.21 0.39 -0.91 -1.64 0.00 0.00 178.16 175.83 1dio h ASN 124 N -0.29 0.66 -0.47 -2.11 2.35 -1.14 -1.74 115.58 112.85 1dio h ASN 124 Ca 0.01 -0.02 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1dio h ASN 124 Cb 0.29 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1dio h ASN 124 CO -0.06 0.47 0.31 0.00 -1.65 0.00 0.00 177.43 176.50 1dio h ALA 125 N 1.64 1.92 -0.00 -0.83 0.00 -1.17 -0.53 119.26 120.30 1dio h ALA 125 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1dio h ALA 125 Cb -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1dio h ALA 125 CO -0.05 -0.00 -0.00 1.28 0.00 0.00 0.00 179.25 180.48 1dio n LEU 126 N -4.48 0.07 -4.89 0.00 7.99 -0.65 -3.97 117.00 111.07 1dio n LEU 126 Ca 0.06 -0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.77 1dio n LEU 126 Cb 0.24 -0.02 -0.01 0.00 -0.11 0.00 0.00 43.42 43.52 1dio n LEU 126 CO 0.35 0.01 0.53 -0.13 -1.51 0.00 0.00 177.39 176.64 1dio s ARG 127 N -2.04 3.62 0.56 3.23 0.52 -0.21 -4.94 118.95 119.69 1dio s ARG 127 Ca 0.46 0.44 -0.21 0.00 -0.52 0.00 0.00 55.73 55.90 1dio s ARG 127 Cb 0.22 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 1dio s ARG 127 CO 0.38 -0.28 1.35 -2.14 0.02 0.00 0.00 175.30 174.63 1dio s PRO 128 N -4.67 3.08 -1.09 3.54 0.01 -1.26 -2.53 135.00 132.08 1dio s PRO 128 Ca 0.51 2.22 0.00 0.00 0.01 0.00 0.00 61.00 63.74 1dio s PRO 128 Cb -0.10 -2.22 0.00 0.00 0.01 0.00 0.00 34.50 32.19 1dio s PRO 128 CO 0.44 -1.23 0.00 0.66 0.01 0.00 0.00 177.00 176.88 1dio n TYR 129 N -1.11 -0.73 0.03 6.54 4.01 0.76 -4.86 117.16 121.80 1dio n TYR 129 Ca 0.11 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.64 1dio n TYR 129 Cb 0.45 -2.35 -0.14 0.00 -0.31 0.00 0.00 39.34 36.99 1dio n TYR 129 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dio h ARG 130 N 0.00 0.29 -6.11 -0.72 -0.00 -1.70 -3.31 114.38 102.83 1dio h ARG 130 Ca -0.23 -0.49 -0.57 0.00 -0.50 0.00 0.00 59.98 58.20 1dio h ARG 130 Cb 0.82 0.18 -0.10 0.00 0.00 0.00 0.00 29.97 30.88 1dio h ARG 130 CO 0.32 1.23 -0.61 -1.12 0.00 0.00 0.00 179.97 179.79 1dio s SER 131 N -7.07 4.40 0.58 7.04 0.01 -1.25 -4.64 113.70 112.76 1dio s SER 131 Ca -0.17 -0.83 0.01 0.00 1.31 0.00 0.00 55.95 56.27 1dio s SER 131 Cb 0.03 -0.67 0.05 0.00 0.21 0.00 0.00 66.02 65.64 1dio s SER 131 CO 0.80 -0.16 0.81 0.42 0.41 0.00 0.00 173.24 175.52 1dio s THR 132 N -2.43 2.57 0.15 1.44 -4.23 -1.26 0.86 115.64 112.74 1dio s THR 132 Ca 0.34 -0.66 -0.16 0.00 -1.18 0.00 0.00 61.69 60.03 1dio s THR 132 Cb -0.03 -2.91 0.01 0.00 1.34 0.00 0.00 72.50 70.91 1dio s THR 132 CO 0.20 0.00 1.77 0.50 -0.54 0.00 0.00 174.62 176.56 1dio h LYS 133 N -0.02 0.35 -0.50 3.99 3.64 -1.96 -2.22 116.57 119.85 1dio h LYS 133 Ca -0.41 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.91 1dio h LYS 133 Cb 1.29 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1dio h LYS 133 CO 0.50 0.23 0.17 0.93 -2.27 0.00 0.00 179.45 179.02 1dio h GLU 134 N 0.37 0.77 -0.89 1.90 3.07 -1.97 0.68 114.58 118.51 1dio h GLU 134 Ca 0.15 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1dio h GLU 134 Cb 0.07 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 27.82 1dio h GLU 134 CO -0.11 0.71 0.52 0.93 -1.40 0.00 0.00 179.01 179.66 1dio h GLU 135 N 0.67 1.21 0.42 2.33 5.08 -1.96 0.89 114.58 123.23 1dio h GLU 135 Ca 0.16 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1dio h GLU 135 Cb 0.25 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1dio h GLU 135 CO -0.01 0.85 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.57 1dio h LEU 136 N 1.22 -0.51 -1.43 1.33 3.38 -0.22 -0.60 115.31 118.48 1dio h LEU 136 Ca 0.32 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1dio h LEU 136 Cb -0.03 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1dio h LEU 136 CO -0.06 -0.36 0.13 -0.07 0.09 0.00 0.00 178.44 178.18 1dio h LEU 137 N -0.59 0.47 -0.21 1.67 3.38 0.90 -2.09 115.31 118.83 1dio h LEU 137 Ca -0.06 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1dio h LEU 137 Cb 0.46 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1dio h LEU 137 CO 0.09 0.44 0.10 0.00 0.09 0.00 0.00 178.44 179.15 1dio h ALA 138 N 1.63 0.25 -0.51 1.53 0.00 0.81 0.31 119.26 123.28 1dio h ALA 138 Ca 0.13 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1dio h ALA 138 Cb 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1dio h ALA 138 CO -0.01 -0.32 0.18 0.82 0.00 0.00 0.00 179.25 179.92 1dio h ILE 139 N 0.21 0.83 -0.13 0.00 2.04 -0.45 0.29 117.51 120.30 1dio h ILE 139 Ca 0.09 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1dio h ILE 139 Cb 0.03 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 1dio h ILE 139 CO -0.07 0.07 -0.23 0.00 0.00 0.00 0.00 178.15 177.92 1dio h ALA 140 N 1.34 -0.20 -0.84 1.87 0.00 -0.90 0.11 119.26 120.63 1dio h ALA 140 Ca 0.24 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1dio h ALA 140 Cb 0.26 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1dio h ALA 140 CO -0.25 -0.69 0.53 -0.44 0.00 0.00 0.00 179.25 178.40 1dio h ASP 141 N -0.30 0.85 -0.72 0.00 3.32 -0.21 0.27 116.42 119.63 1dio h ASP 141 Ca 0.10 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 1dio h ASP 141 Cb 0.44 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1dio h ASP 141 CO -0.30 0.56 0.24 -0.78 -1.72 0.00 0.00 179.24 177.24 1dio h ASP 142 N 0.99 1.04 0.08 6.45 3.58 0.35 -2.80 116.42 126.10 1dio h ASP 142 Ca 0.35 -0.20 -0.11 0.00 0.42 0.00 0.00 57.03 57.49 1dio h ASP 142 Cb 0.10 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 1dio h ASP 142 CO -0.15 0.96 -0.37 -0.07 -2.88 0.00 0.00 179.24 176.74 1dio h LEU 143 N 1.06 0.40 0.65 2.28 3.38 0.24 -1.59 115.31 121.73 1dio h LEU 143 Ca 0.23 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1dio h LEU 143 Cb 0.28 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1dio h LEU 143 CO -0.01 0.74 -0.31 -0.08 0.09 0.00 0.00 178.44 178.87 1dio h GLU 144 N 0.33 -0.84 0.00 1.13 4.81 -0.25 0.67 114.58 120.42 1dio h GLU 144 Ca 0.04 0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.16 1dio h GLU 144 Cb 0.80 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 1dio h GLU 144 CO 0.06 -0.56 -2.05 -1.13 -0.73 0.00 0.00 179.01 174.60 1dio n SER 145 N -5.47 0.59 -0.06 1.04 3.41 -1.11 -1.80 113.62 110.22 1dio n SER 145 Ca -0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.37 1dio n SER 145 Cb 0.36 1.42 -0.04 0.00 -0.26 0.00 0.00 64.21 65.68 1dio n SER 145 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1dio h ARG 146 N 0.00 0.32 -0.00 4.33 2.43 -1.51 -3.38 114.38 116.57 1dio h ARG 146 Ca -0.24 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1dio h ARG 146 Cb 1.49 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 1dio h ARG 146 CO 0.01 0.37 -0.03 0.66 -1.51 0.00 0.00 179.97 179.47 1dio n TYR 147 N -4.82 0.00 -3.54 2.20 4.01 -1.24 -5.01 117.16 108.76 1dio n TYR 147 Ca -0.04 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.50 1dio n TYR 147 Cb 0.12 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.23 1dio n TYR 147 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1dio n GLN 148 N -0.38 -6.62 -3.56 -0.72 1.13 -0.74 -4.93 117.38 101.55 1dio n GLN 148 Ca 0.01 0.79 -0.34 0.00 -1.94 0.00 0.00 57.00 55.52 1dio n GLN 148 Cb 0.04 -5.75 -0.07 0.00 0.11 0.00 0.00 30.24 24.58 1dio n GLN 148 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dio n ALA 149 N -4.39 3.97 0.01 -1.58 0.00 0.23 -4.84 120.51 113.92 1dio n ALA 149 Ca -0.20 -4.65 -0.18 0.00 0.00 0.00 0.00 53.44 48.41 1dio n ALA 149 Cb 0.64 -1.53 -0.12 0.00 0.00 0.00 0.00 19.45 18.44 1dio n ALA 149 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1dio h LYS 150 N 5.47 0.35 -0.42 0.00 1.63 -1.86 0.16 116.57 121.89 1dio h LYS 150 Ca 0.17 -0.43 -0.07 0.00 -0.85 0.00 0.00 60.65 59.47 1dio h LYS 150 Cb 0.75 0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.50 1dio h LYS 150 CO 0.89 1.13 -0.00 0.82 -3.45 0.00 0.00 179.45 178.84 1dio h ILE 151 N -0.23 1.26 0.00 2.00 5.03 -1.95 -1.87 117.51 121.76 1dio h ILE 151 Ca -0.09 -1.03 -0.04 0.00 -0.12 0.00 0.00 64.86 63.58 1dio h ILE 151 Cb 1.38 1.09 -0.01 0.00 -3.03 0.00 0.00 36.82 36.25 1dio h ILE 151 CO 0.12 0.35 -0.19 0.00 -0.68 0.00 0.00 178.15 177.75 1dio h ALA 153 N 1.81 0.49 -0.72 0.00 0.00 -0.35 -2.32 119.26 118.16 1dio h ALA 153 Ca -0.00 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1dio h ALA 153 Cb 0.65 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1dio h ALA 153 CO 0.03 0.53 0.47 0.00 0.00 0.00 0.00 179.25 180.27 1dio h ALA 154 N 0.74 0.91 -0.27 0.00 0.00 -1.07 -1.11 119.26 118.46 1dio h ALA 154 Ca 0.06 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1dio h ALA 154 Cb 0.88 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 1dio h ALA 154 CO 0.08 0.34 -0.47 0.35 0.00 0.00 0.00 179.25 179.55 1dio h PHE 155 N 0.97 -1.37 -0.87 0.00 3.57 -0.81 0.13 116.94 118.56 1dio h PHE 155 Ca 0.26 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.90 1dio h PHE 155 Cb -0.10 0.64 -0.07 0.00 2.79 0.00 0.00 35.95 39.21 1dio h PHE 155 CO -0.02 -0.48 0.53 0.28 -2.23 0.00 0.00 178.31 176.39 1dio h VAL 156 N -0.44 1.00 -0.40 1.41 2.07 -1.38 -1.02 116.25 117.49 1dio h VAL 156 Ca 0.09 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1dio h VAL 156 Cb 0.62 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1dio h VAL 156 CO -0.50 0.17 0.17 -0.09 0.02 0.00 0.00 177.57 177.35 1dio h ARG 157 N 0.94 0.34 -0.31 1.57 9.65 -0.77 0.48 114.38 126.27 1dio h ARG 157 Ca 0.39 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.31 1dio h ARG 157 Cb 0.25 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.70 1dio h ARG 157 CO -0.20 0.23 0.02 1.49 2.80 0.00 0.00 179.97 184.30 1dio h GLU 158 N 0.35 0.11 -0.60 0.20 4.81 0.21 -2.83 114.58 116.83 1dio h GLU 158 Ca 0.18 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1dio h GLU 158 Cb 0.13 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1dio h GLU 158 CO -0.16 0.07 0.35 0.00 -0.73 0.00 0.00 179.01 178.54 1dio h ALA 159 N 1.26 0.79 -0.35 2.92 0.00 0.04 -1.21 119.26 122.71 1dio h ALA 159 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1dio h ALA 159 Cb 0.19 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1dio h ALA 159 CO -0.24 0.05 0.07 0.00 0.00 0.00 0.00 179.25 179.13 1dio h ALA 160 N 1.29 0.37 -0.01 0.00 0.00 0.10 2.20 119.26 123.21 1dio h ALA 160 Ca 0.26 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1dio h ALA 160 Cb 0.10 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1dio h ALA 160 CO -0.14 -0.33 0.00 1.15 0.00 0.00 0.00 179.25 179.94 1dio h THR 161 N 0.19 1.09 -0.52 0.00 2.02 -1.30 -0.92 112.91 113.48 1dio h THR 161 Ca 0.16 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 1dio h THR 161 Cb 0.18 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1dio h THR 161 CO -0.21 0.07 0.09 -0.07 0.37 0.00 0.00 175.52 175.76 1dio h LEU 162 N -0.09 0.77 -1.41 2.58 3.38 -0.55 -1.63 115.31 118.36 1dio h LEU 162 Ca 0.00 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1dio h LEU 162 Cb 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1dio h LEU 162 CO -0.00 0.78 -0.11 1.88 0.09 0.00 0.00 178.44 181.09 1dio h TYR 163 N 0.78 0.27 0.24 1.13 -1.99 0.39 0.66 116.97 118.45 1dio h TYR 163 Ca 0.17 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.87 1dio h TYR 163 Cb 0.35 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.98 1dio h TYR 163 CO 0.02 0.37 -0.26 0.28 -0.00 0.00 0.00 178.16 178.57 1dio h VAL 164 N 0.25 0.45 -0.52 -2.88 2.07 -0.26 0.52 116.25 115.89 1dio h VAL 164 Ca 0.05 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.46 1dio h VAL 164 Cb 0.35 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1dio h VAL 164 CO 0.02 0.00 -0.12 -0.08 0.02 0.00 0.00 177.57 177.40 1dio h GLU 165 N -0.54 0.99 -0.01 1.57 4.81 -0.46 -2.73 114.58 118.23 1dio h GLU 165 Ca -0.00 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1dio h GLU 165 Cb 0.50 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1dio h GLU 165 CO -0.06 1.06 -0.14 0.54 -0.73 0.00 0.00 179.01 179.68 1dio n ARG 166 N -4.17 1.27 -3.09 1.92 5.12 0.22 -4.99 116.66 112.94 1dio n ARG 166 Ca 0.01 -0.77 -0.08 0.00 -1.93 0.00 0.00 57.85 55.08 1dio n ARG 166 Cb 0.41 -1.48 0.04 0.00 -1.16 0.00 0.00 32.46 30.26 1dio n ARG 166 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1dio n LYS 167 N -0.19 -1.75 -0.19 5.56 5.02 0.17 -4.96 118.16 121.82 1dio n LYS 167 Ca 0.15 1.11 0.08 0.00 -2.02 0.00 0.00 58.31 57.63 1dio n LYS 167 Cb 0.36 -5.61 0.13 0.00 -0.02 0.00 0.00 35.03 29.89 1dio n LYS 167 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1dio n LYS 168 N -2.52 1.14 -3.02 1.97 4.76 -0.50 -4.79 118.16 115.21 1dio n LYS 168 Ca -0.04 -2.46 -0.22 0.00 -2.87 0.00 0.00 58.31 52.73 1dio n LYS 168 Cb 0.56 -1.38 0.01 0.00 -1.84 0.00 0.00 35.03 32.39 1dio n LYS 168 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1dio s LEU 169 N -2.54 3.65 0.05 -0.35 1.43 -1.26 -0.17 118.68 119.49 1dio s LEU 169 Ca 0.29 0.14 -0.38 0.00 -1.03 0.00 0.00 54.13 53.15 1dio s LEU 169 Cb 0.26 -3.03 -0.18 0.00 0.03 0.00 0.00 46.19 43.26 1dio s LEU 169 CO 0.01 -0.72 1.20 1.17 0.23 0.00 0.00 176.35 178.25 1dio n LYS 170 N -2.03 0.59 -0.14 1.70 4.81 0.25 0.05 118.16 123.38 1dio n LYS 170 Ca 0.02 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1dio n LYS 170 Cb 0.58 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.85 1dio n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dio n GLY 171 N 2.02 1.58 0.03 3.14 0.00 -1.26 -4.88 105.19 105.82 1dio n GLY 171 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1dio n GLY 171 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dio n ASP 172 N 0.00 0.56 0.00 1.61 8.00 0.11 -5.15 116.55 121.67 1dio n ASP 172 Ca 0.00 -0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.53 1dio n ASP 172 Cb 0.00 0.14 0.20 0.00 -0.02 0.00 0.00 41.12 41.44 1dio n ASP 172 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91