#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1juv s ILE 2 N 0.00 2.52 -0.07 1.12 1.01 -1.26 -0.83 121.20 123.70 1juv s ILE 2 Ca 0.00 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.92 1juv s ILE 2 Cb 0.00 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 1juv s ILE 2 CO 0.00 0.50 -0.24 -0.75 0.00 0.00 0.00 174.94 174.45 1juv s LYS 3 N 1.34 2.65 -0.12 2.79 2.20 0.11 -0.53 119.74 128.17 1juv s LYS 3 Ca 0.05 -0.88 -0.10 0.00 -0.36 0.00 0.00 55.97 54.68 1juv s LYS 3 Cb -0.13 -2.21 -0.05 0.00 -1.51 0.00 0.00 37.83 33.93 1juv s LYS 3 CO -0.09 0.36 0.20 -0.51 -0.36 0.00 0.00 175.35 174.95 1juv s LEU 4 N -0.11 4.35 -0.25 5.43 1.43 -0.18 -0.23 118.68 129.11 1juv s LEU 4 Ca -0.05 0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.53 1juv s LEU 4 Cb -0.14 -2.19 0.08 0.00 0.03 0.00 0.00 46.19 43.97 1juv s LEU 4 CO 0.04 0.31 0.08 -0.69 0.23 0.00 0.00 176.35 176.32 1juv s VAL 5 N -0.57 0.53 0.19 -1.59 1.01 -0.46 0.02 120.40 119.53 1juv s VAL 5 Ca 0.15 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 1juv s VAL 5 Cb -0.13 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1juv s VAL 5 CO 0.04 -0.48 0.34 0.72 0.00 0.00 0.00 175.10 175.73 1juv s PHE 6 N 1.82 0.39 0.15 5.22 -0.12 -0.77 -4.34 117.98 120.33 1juv s PHE 6 Ca 0.05 -0.74 0.02 0.00 -0.05 0.00 0.00 56.93 56.20 1juv s PHE 6 Cb -0.17 0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.19 1juv s PHE 6 CO -0.20 -0.80 -0.01 1.03 -0.05 0.00 0.00 175.22 175.19 1juv s ARG 7 N -3.98 1.03 0.26 1.99 0.52 -1.26 -1.26 118.95 116.24 1juv s ARG 7 Ca 0.19 -1.48 -0.20 0.00 -0.52 0.00 0.00 55.73 53.72 1juv s ARG 7 Cb 0.02 -0.23 0.02 0.00 0.52 0.00 0.00 34.95 35.29 1juv s ARG 7 CO 0.03 -0.11 0.68 1.52 0.02 0.00 0.00 175.30 177.44 1juv s TYR 8 N -3.67 -0.19 -0.15 -0.53 -0.85 -0.47 -4.80 117.35 106.70 1juv s TYR 8 Ca 0.21 -0.23 -0.02 0.00 -0.52 0.00 0.00 57.07 56.51 1juv s TYR 8 Cb 0.06 0.64 0.05 0.00 0.38 0.00 0.00 41.96 43.08 1juv s TYR 8 CO 0.02 -1.16 0.01 0.45 -1.52 0.00 0.00 175.55 173.35 1juv s SER 9 N -2.90 2.50 -0.16 -0.18 0.15 -0.27 -1.01 113.70 111.83 1juv s SER 9 Ca 0.11 -0.57 -0.29 0.00 0.70 0.00 0.00 55.95 55.89 1juv s SER 9 Cb -0.05 -0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 63.63 1juv s SER 9 CO 0.04 -0.25 1.37 -2.16 1.20 0.00 0.00 173.24 173.44 1juv s PRO 10 N 1.85 4.16 0.04 5.44 0.04 -1.26 -1.30 135.00 143.97 1juv s PRO 10 Ca 0.01 1.72 0.01 0.00 0.04 0.00 0.00 61.00 62.78 1juv s PRO 10 Cb -0.15 -3.84 -0.00 0.00 0.04 0.00 0.00 34.50 30.55 1juv s PRO 10 CO -0.07 -0.82 0.03 -2.37 0.04 0.00 0.00 177.00 173.81 1juv n THR 11 N 5.55 0.00 -4.47 1.26 5.66 -0.17 -4.77 114.28 117.34 1juv n THR 11 Ca 0.15 -0.27 -0.26 0.00 -3.05 0.00 0.00 64.05 60.62 1juv n THR 11 Cb 0.45 0.13 -0.13 0.00 -1.55 0.00 0.00 70.33 69.22 1juv n THR 11 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1juv s LYS 12 N -2.16 1.32 0.88 1.09 -0.14 -1.26 -1.96 119.74 117.51 1juv s LYS 12 Ca 0.04 -1.12 -0.12 0.00 -1.36 0.00 0.00 55.97 53.40 1juv s LYS 12 Cb 0.00 -1.57 0.15 0.00 -1.68 0.00 0.00 37.83 34.73 1juv s LYS 12 CO 0.03 0.38 1.22 0.95 -0.76 0.00 0.00 175.35 177.18 1juv s THR 13 N -1.00 2.04 0.52 2.17 -4.23 0.11 -4.67 115.64 110.59 1juv s THR 13 Ca 0.09 -0.10 0.20 0.00 -1.18 0.00 0.00 61.69 60.70 1juv s THR 13 Cb -0.10 -2.95 0.33 0.00 1.34 0.00 0.00 72.50 71.13 1juv s THR 13 CO 0.04 0.00 2.07 -0.37 -0.54 0.00 0.00 174.62 175.81 1juv h VAL 14 N -1.29 0.87 -0.50 2.29 -1.51 -1.99 -0.68 116.25 113.44 1juv h VAL 14 Ca -0.44 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1juv h VAL 14 Cb 1.27 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1juv h VAL 14 CO 0.46 0.01 0.00 0.47 -1.23 0.00 0.00 177.57 177.28 1juv n ASP 15 N -4.46 3.01 0.00 4.19 8.00 -1.26 -4.93 116.55 121.10 1juv n ASP 15 Ca 0.04 -2.10 0.00 0.00 0.71 0.00 0.00 54.79 53.43 1juv n ASP 15 Cb 0.34 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1juv n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1juv n GLY 16 N 1.18 0.62 3.85 0.44 0.00 -0.26 -5.05 105.19 105.97 1juv n GLY 16 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1juv n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1juv s PHE 17 N -2.08 3.41 0.19 1.61 0.40 -1.26 -4.71 117.98 115.54 1juv s PHE 17 Ca 0.00 1.33 -0.21 0.00 -0.60 0.00 0.00 56.93 57.45 1juv s PHE 17 Cb 0.00 -2.66 -0.08 0.00 0.51 0.00 0.00 43.02 40.79 1juv s PHE 17 CO 0.00 -0.16 0.72 -0.80 0.70 0.00 0.00 175.22 175.68 1juv s ASN 18 N -2.77 7.14 0.03 1.36 0.01 -1.26 0.08 114.94 119.52 1juv s ASN 18 Ca 0.56 1.45 -0.21 0.00 -0.71 0.00 0.00 52.86 53.95 1juv s ASN 18 Cb -0.10 -2.43 0.05 0.00 0.41 0.00 0.00 41.25 39.18 1juv s ASN 18 CO 0.25 0.11 0.48 -1.83 -1.51 0.00 0.00 177.10 174.60 1juv s GLU 19 N -1.67 0.96 -0.61 -0.60 -1.05 -0.83 -4.90 118.70 110.00 1juv s GLU 19 Ca 0.39 -0.21 -0.10 0.00 -0.15 0.00 0.00 54.97 54.91 1juv s GLU 19 Cb -0.19 0.43 0.16 0.00 -0.44 0.00 0.00 34.13 34.10 1juv s GLU 19 CO 0.22 -0.33 0.50 -0.51 0.95 0.00 0.00 175.26 176.09 1juv s LEU 20 N -1.81 5.94 0.14 1.83 1.43 -1.26 -1.00 118.68 123.95 1juv s LEU 20 Ca -0.07 -2.33 -0.31 0.00 -1.03 0.00 0.00 54.13 50.38 1juv s LEU 20 Cb -0.01 -2.05 -0.09 0.00 0.03 0.00 0.00 46.19 44.06 1juv s LEU 20 CO 0.00 -0.60 1.58 0.00 0.23 0.00 0.00 176.35 177.55 1juv s ALA 21 N 0.73 3.74 0.00 4.21 0.00 -0.42 -1.38 121.76 128.64 1juv s ALA 21 Ca 0.11 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1juv s ALA 21 Cb -0.21 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1juv s ALA 21 CO -0.03 -0.85 0.00 0.34 0.00 0.00 0.00 175.76 175.22 1juv n PHE 22 N 4.40 0.00 -4.08 0.00 7.35 -0.15 -1.11 117.46 123.87 1juv n PHE 22 Ca 0.14 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.69 1juv n PHE 22 Cb 0.39 0.01 -0.12 0.00 0.35 0.00 0.00 39.48 40.12 1juv n PHE 22 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1juv s GLY 23 N -4.61 0.52 -0.33 7.13 0.00 -0.34 -4.53 107.32 105.16 1juv s GLY 23 Ca 0.00 -0.74 -0.00 0.00 0.00 0.00 0.00 44.72 43.97 1juv s GLY 23 CO 0.00 -0.79 0.12 -2.27 0.00 0.00 0.00 173.10 170.17 1juv s LEU 24 N -1.47 2.23 0.00 0.66 2.96 -0.30 0.21 118.68 122.97 1juv s LEU 24 Ca -0.08 -1.80 0.00 0.00 -0.22 0.00 0.00 54.13 52.02 1juv s LEU 24 Cb -0.09 -0.86 0.00 0.00 0.50 0.00 0.00 46.19 45.73 1juv s LEU 24 CO 0.01 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.26 1juv n GLY 25 N 4.63 3.26 2.17 7.98 0.00 -1.26 -0.70 105.19 121.26 1juv n GLY 25 Ca 0.00 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 1juv n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1juv n ASP 26 N 5.15 4.09 -0.25 1.61 3.85 -1.26 -4.93 116.55 124.80 1juv n ASP 26 Ca 0.00 -3.50 0.00 0.00 -0.71 0.00 0.00 54.79 50.58 1juv n ASP 26 Cb 0.00 -0.81 0.00 0.00 -1.35 0.00 0.00 41.12 38.96 1juv n ASP 26 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1juv n GLY 27 N -0.85 4.66 3.76 6.12 0.00 0.12 -4.55 105.19 114.45 1juv n GLY 27 Ca 0.54 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 1juv n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1juv s LEU 28 N 0.00 3.77 0.40 0.99 1.43 -1.26 -1.15 118.68 122.86 1juv s LEU 28 Ca 0.00 0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.20 1juv s LEU 28 Cb 0.00 -2.34 0.85 0.00 0.03 0.00 0.00 46.19 44.73 1juv s LEU 28 CO 0.00 0.22 2.03 -0.65 0.23 0.00 0.00 176.35 178.17 1juv h PRO 29 N 3.68 0.57 -0.52 1.29 0.11 -1.79 -2.12 132.00 133.21 1juv h PRO 29 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1juv h PRO 29 Cb 1.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1juv h PRO 29 CO 0.63 0.38 0.00 -2.67 -0.21 0.00 0.00 178.00 176.13 1juv n TRP 30 N -4.47 0.69 -4.43 0.65 2.14 -1.26 -4.56 117.44 106.20 1juv n TRP 30 Ca 0.06 -0.35 0.00 0.00 2.07 0.00 0.00 57.50 59.28 1juv n TRP 30 Cb 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.63 1juv n TRP 30 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1juv n GLY 31 N 1.45 1.08 3.30 -1.67 0.00 -0.80 -4.59 105.19 103.96 1juv n GLY 31 Ca 0.20 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 1juv n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1juv s ARG 32 N 0.00 2.65 -0.27 1.61 1.81 -1.26 -4.67 118.95 118.82 1juv s ARG 32 Ca 0.00 -1.30 -0.05 0.00 -1.72 0.00 0.00 55.73 52.66 1juv s ARG 32 Cb 0.00 -3.68 0.01 0.00 -0.45 0.00 0.00 34.95 30.82 1juv s ARG 32 CO 0.00 -0.82 0.02 0.08 -0.68 0.00 0.00 175.30 173.91 1juv s VAL 33 N 1.45 3.64 0.19 3.52 1.01 -1.26 -5.02 120.40 123.92 1juv s VAL 33 Ca 0.02 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.10 1juv s VAL 33 Cb -0.21 -2.81 0.12 0.00 0.00 0.00 0.00 36.38 33.47 1juv s VAL 33 CO 0.03 0.20 1.56 0.11 0.00 0.00 0.00 175.10 177.00 1juv h LYS 34 N 8.16 -0.10 -0.85 2.72 1.79 -1.99 -0.31 116.57 125.99 1juv h LYS 34 Ca -0.34 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.14 1juv h LYS 34 Cb 1.13 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.76 1juv h LYS 34 CO 0.59 -0.07 0.55 -0.22 -1.08 0.00 0.00 179.45 179.23 1juv h LYS 35 N -0.11 1.13 -0.09 3.15 1.63 -1.98 0.99 116.57 121.29 1juv h LYS 35 Ca 0.25 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1juv h LYS 35 Cb 0.56 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1juv h LYS 35 CO -0.83 0.76 0.05 0.22 -3.45 0.00 0.00 179.45 176.20 1juv h ASP 36 N 1.16 0.11 -0.65 4.20 3.58 -1.53 0.89 116.42 124.18 1juv h ASP 36 Ca 0.31 -0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.62 1juv h ASP 36 Cb -0.12 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 1juv h ASP 36 CO -0.07 0.14 0.10 -0.07 -2.88 0.00 0.00 179.24 176.46 1juv h LEU 37 N 0.07 1.05 -0.59 2.28 3.38 -0.78 -1.20 115.31 119.52 1juv h LEU 37 Ca 0.03 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1juv h LEU 37 Cb 0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1juv h LEU 37 CO -0.01 1.05 0.20 1.56 0.09 0.00 0.00 178.44 181.32 1juv h GLN 38 N 1.02 0.90 -0.44 1.13 4.20 -0.55 -2.08 115.11 119.30 1juv h GLN 38 Ca 0.20 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1juv h GLN 38 Cb 0.45 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1juv h GLN 38 CO 0.01 0.80 0.20 -0.91 -0.67 0.00 0.00 178.83 178.27 1juv h ASN 39 N 0.83 0.58 -0.31 1.46 -0.26 -0.59 -2.21 115.58 115.08 1juv h ASN 39 Ca 0.19 -0.14 0.06 0.00 -0.56 0.00 0.00 56.30 55.85 1juv h ASN 39 Cb 0.27 -0.15 -0.05 0.00 -1.06 0.00 0.00 38.32 37.32 1juv h ASN 39 CO -0.01 0.56 -0.03 0.15 -1.06 0.00 0.00 177.43 177.04 1juv h PHE 40 N 0.57 -0.07 -0.59 1.19 3.57 -0.95 -0.08 116.94 120.58 1juv h PHE 40 Ca 0.15 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.69 1juv h PHE 40 Cb 0.13 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1juv h PHE 40 CO -0.01 -0.08 0.38 -0.22 -2.23 0.00 0.00 178.31 176.15 1juv h LYS 41 N 0.06 0.73 -0.51 1.11 3.64 -1.19 -0.96 116.57 119.45 1juv h LYS 41 Ca 0.15 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1juv h LYS 41 Cb 0.21 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1juv h LYS 41 CO -0.27 0.48 0.02 0.00 -2.27 0.00 0.00 179.45 177.41 1juv h ALA 42 N 1.24 1.07 0.00 5.00 0.00 -0.82 -1.17 119.26 124.58 1juv h ALA 42 Ca 0.23 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1juv h ALA 42 Cb -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1juv h ALA 42 CO -0.07 0.59 -0.63 0.00 0.00 0.00 0.00 179.25 179.14 1juv h ARG 43 N 0.79 0.00 -0.01 0.00 2.47 -0.64 -3.20 114.38 113.79 1juv h ARG 43 Ca 0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1juv h ARG 43 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1juv h ARG 43 CO 0.02 0.63 -0.52 0.25 0.56 0.00 0.00 179.97 180.91 1juv n THR 44 N -3.52 0.00 -1.72 2.04 -2.24 -0.40 -4.92 114.28 103.53 1juv n THR 44 Ca -0.00 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 1juv n THR 44 Cb 0.69 0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 69.65 1juv n THR 44 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1juv n GLU 45 N -0.78 2.45 -1.20 -0.78 2.13 -0.45 -1.99 120.64 120.00 1juv n GLU 45 Ca 0.08 0.87 -0.07 0.00 0.66 0.00 0.00 57.16 58.70 1juv n GLU 45 Cb 0.38 -2.59 -0.03 0.00 0.27 0.00 0.00 31.44 29.47 1juv n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1juv n GLY 46 N 1.78 0.88 3.38 8.31 0.00 -1.26 -5.00 105.19 113.28 1juv n GLY 46 Ca 0.08 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 1juv n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1juv s THR 47 N -2.09 1.32 -0.29 2.61 -4.23 -0.84 -4.82 115.64 107.30 1juv s THR 47 Ca 0.00 -2.07 -0.12 0.00 -1.18 0.00 0.00 61.69 58.32 1juv s THR 47 Cb 0.00 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 1juv s THR 47 CO 0.00 -0.31 0.24 -0.63 -0.54 0.00 0.00 174.62 173.38 1juv s ILE 48 N -3.23 5.28 -0.01 2.99 -1.09 0.37 -4.25 121.20 121.25 1juv s ILE 48 Ca 0.29 0.19 -0.25 0.00 -2.23 0.00 0.00 60.65 58.65 1juv s ILE 48 Cb 0.05 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1juv s ILE 48 CO 0.10 0.19 0.77 -0.04 -1.23 0.00 0.00 174.94 174.73 1juv s MET 49 N 1.82 4.48 -0.11 2.79 -1.94 -0.41 -1.10 119.30 124.82 1juv s MET 49 Ca 0.08 1.03 0.02 0.00 -1.71 0.00 0.00 55.69 55.12 1juv s MET 49 Cb -0.16 -3.41 -0.01 0.00 2.01 0.00 0.00 34.83 33.26 1juv s MET 49 CO 0.11 0.14 -0.17 0.42 -0.01 0.00 0.00 175.02 175.50 1juv s ILE 50 N 0.47 2.67 0.20 2.53 1.01 0.52 -0.26 121.20 128.33 1juv s ILE 50 Ca 0.40 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 1juv s ILE 50 Cb -0.19 -2.08 -0.00 0.00 0.01 0.00 0.00 42.46 40.19 1juv s ILE 50 CO 0.22 0.54 0.39 0.00 0.00 0.00 0.00 174.94 176.09 1juv s MET 51 N 0.30 1.34 0.82 2.79 0.23 -0.53 -1.87 119.30 122.39 1juv s MET 51 Ca -0.13 -1.16 -0.10 0.00 -1.03 0.00 0.00 55.69 53.27 1juv s MET 51 Cb -0.16 0.43 0.13 0.00 -1.53 0.00 0.00 34.83 33.70 1juv s MET 51 CO 0.07 -0.53 1.15 0.20 -2.03 0.00 0.00 175.02 173.88 1juv s GLY 52 N -2.98 1.73 0.11 3.16 0.00 -0.90 -0.64 107.32 107.80 1juv s GLY 52 Ca 0.19 -1.18 -0.21 0.00 0.00 0.00 0.00 44.72 43.52 1juv s GLY 52 CO 0.03 -0.59 1.76 0.00 0.00 0.00 0.00 173.10 174.31 1juv h ALA 53 N -1.05 0.17 -0.05 3.20 0.00 -1.92 -2.15 119.26 117.46 1juv h ALA 53 Ca -0.43 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1juv h ALA 53 Cb 1.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1juv h ALA 53 CO 0.48 -0.34 -0.29 0.87 0.00 0.00 0.00 179.25 179.96 1juv h LYS 54 N 0.18 0.09 -0.55 0.00 1.57 -1.95 -0.91 116.57 115.01 1juv h LYS 54 Ca 0.05 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1juv h LYS 54 Cb -0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1juv h LYS 54 CO -0.01 0.38 0.08 1.15 -0.57 0.00 0.00 179.45 180.48 1juv h THR 55 N 0.08 1.26 -0.51 -0.16 2.02 -1.84 -0.65 112.91 113.10 1juv h THR 55 Ca 0.01 -0.98 -0.08 0.00 0.77 0.00 0.00 66.41 66.13 1juv h THR 55 Cb 0.56 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1juv h THR 55 CO 0.04 0.35 -0.01 0.15 0.37 0.00 0.00 175.52 176.43 1juv h PHE 56 N 0.80 0.94 0.00 3.16 3.57 -0.77 -2.46 116.94 122.17 1juv h PHE 56 Ca 0.16 -0.14 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1juv h PHE 56 Cb 0.43 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1juv h PHE 56 CO 0.03 0.85 -0.26 1.96 -2.23 0.00 0.00 178.31 178.67 1juv h GLN 57 N 0.81 0.00 0.00 1.11 4.20 -0.81 -2.74 115.11 117.67 1juv h GLN 57 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1juv h GLN 57 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1juv h GLN 57 CO 0.02 0.26 0.00 -1.13 -0.67 0.00 0.00 178.83 177.31 1juv n SER 58 N -3.58 0.52 -4.71 1.46 3.41 -0.28 -3.76 113.62 106.67 1juv n SER 58 Ca -0.01 0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 58.77 1juv n SER 58 Cb 0.40 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 1juv n SER 58 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1juv s LEU 59 N -4.04 4.40 0.46 1.04 1.43 -1.03 -4.84 118.68 116.09 1juv s LEU 59 Ca 0.09 1.74 0.18 0.00 -1.03 0.00 0.00 54.13 55.10 1juv s LEU 59 Cb 0.12 -3.58 1.08 0.00 0.03 0.00 0.00 46.19 43.85 1juv s LEU 59 CO 0.47 -0.25 1.99 1.55 0.23 0.00 0.00 176.35 180.34 1juv h PRO 60 N 6.53 0.00 -1.98 1.29 0.13 -1.89 0.56 132.00 136.64 1juv h PRO 60 Ca -0.42 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 64.96 1juv h PRO 60 Cb 1.22 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.26 1juv h PRO 60 CO 0.75 0.19 0.66 -0.08 -0.23 0.00 0.00 178.00 179.30 1juv s THR 61 N -4.46 0.00 0.32 1.56 -1.32 -1.26 -1.39 115.64 109.09 1juv s THR 61 Ca -0.03 -0.44 -0.29 0.00 -1.21 0.00 0.00 61.69 59.71 1juv s THR 61 Cb 0.15 -2.17 -0.11 0.00 -1.51 0.00 0.00 72.50 68.85 1juv s THR 61 CO 0.67 0.00 1.56 0.18 -2.21 0.00 0.00 174.62 174.82 1juv n LEU 62 N -0.54 4.49 -4.67 9.08 4.77 -1.26 -4.92 117.00 123.96 1juv n LEU 62 Ca -0.06 1.18 -0.43 0.00 -0.03 0.00 0.00 56.01 56.67 1juv n LEU 62 Cb 0.61 -1.60 -0.02 0.00 -2.33 0.00 0.00 43.42 40.08 1juv n LEU 62 CO 0.14 0.14 1.01 -0.76 -1.33 0.00 0.00 177.39 176.59 1juv s LEU 63 N -1.02 4.18 0.25 2.23 1.43 -1.26 -4.96 118.68 119.53 1juv s LEU 63 Ca 0.60 1.63 -0.31 0.00 -1.03 0.00 0.00 54.13 55.03 1juv s LEU 63 Cb -0.49 -3.54 -0.14 0.00 0.03 0.00 0.00 46.19 42.05 1juv s LEU 63 CO 0.54 -0.70 1.30 -2.65 0.23 0.00 0.00 176.35 175.07 1juv n PRO 64 N 6.23 1.80 0.00 1.29 -0.02 -1.26 -3.31 135.00 139.73 1juv n PRO 64 Ca 0.13 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1juv n PRO 64 Cb 0.46 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1juv n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1juv n GLY 65 N 1.82 3.08 3.40 -1.23 0.00 -1.26 -5.03 105.19 105.98 1juv n GLY 65 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1juv n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1juv s ARG 66 N -0.41 1.85 0.17 1.61 3.00 -1.21 -4.87 118.95 119.10 1juv s ARG 66 Ca 0.00 -1.10 -0.30 0.00 0.00 0.00 0.00 55.73 54.33 1juv s ARG 66 Cb 0.00 -2.06 -0.07 0.00 0.00 0.00 0.00 34.95 32.82 1juv s ARG 66 CO 0.00 0.51 1.09 0.45 0.00 0.00 0.00 175.30 177.35 1juv s SER 67 N -1.47 7.28 -0.27 0.23 0.15 -1.26 -4.82 113.70 113.54 1juv s SER 67 Ca 0.13 2.07 -0.06 0.00 0.70 0.00 0.00 55.95 58.79 1juv s SER 67 Cb -0.10 -2.60 -0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1juv s SER 67 CO 0.04 -0.21 0.06 -1.00 1.20 0.00 0.00 173.24 173.33 1juv s HIS 68 N -0.23 3.10 -0.16 3.44 3.76 -1.26 -1.29 115.29 122.65 1juv s HIS 68 Ca 0.49 -0.84 -0.04 0.00 -0.15 0.00 0.00 55.06 54.53 1juv s HIS 68 Cb -0.29 -2.23 -0.03 0.00 1.11 0.00 0.00 32.58 31.15 1juv s HIS 68 CO 0.34 -0.52 -0.04 0.42 -0.85 0.00 0.00 174.74 174.10 1juv s ILE 69 N 1.52 3.82 -0.17 0.60 1.01 0.63 -1.67 121.20 126.95 1juv s ILE 69 Ca 0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 1juv s ILE 69 Cb -0.16 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 1juv s ILE 69 CO 0.02 0.48 -0.12 -0.69 0.00 0.00 0.00 174.94 174.63 1juv s VAL 70 N 0.51 2.93 -0.28 2.92 1.01 -0.38 -1.45 120.40 125.66 1juv s VAL 70 Ca -0.03 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 1juv s VAL 70 Cb -0.14 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1juv s VAL 70 CO 0.03 0.50 0.54 -0.69 0.00 0.00 0.00 175.10 175.47 1juv s VAL 71 N 0.88 5.04 0.36 2.92 1.01 0.19 -1.37 120.40 129.42 1juv s VAL 71 Ca -0.03 0.82 -0.17 0.00 0.00 0.00 0.00 61.98 62.60 1juv s VAL 71 Cb -0.15 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.41 1juv s VAL 71 CO -0.00 0.01 0.80 0.00 0.00 0.00 0.00 175.10 175.91 1juv s ASP 73 N -3.08 6.47 0.00 0.00 3.68 -1.26 -4.48 116.67 118.00 1juv s ASP 73 Ca 0.15 0.17 0.21 0.00 2.13 0.00 0.00 52.55 55.21 1juv s ASP 73 Cb -0.05 -2.55 1.03 0.00 -1.45 0.00 0.00 42.92 39.90 1juv s ASP 73 CO 0.10 -1.45 1.65 0.18 0.13 0.00 0.00 175.17 175.78 1juv n LEU 74 N 8.37 0.00 0.00 -1.34 4.77 -1.26 -2.14 117.00 125.40 1juv n LEU 74 Ca 0.09 0.29 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 1juv n LEU 74 Cb 0.49 -0.29 0.68 0.00 -2.33 0.00 0.00 43.42 41.97 1juv n LEU 74 CO 0.72 -0.09 0.96 0.00 -1.33 0.00 0.00 177.39 177.65 1juv n ALA 75 N -1.29 2.35 -2.41 -1.18 0.00 -1.26 -4.78 120.51 111.95 1juv n ALA 75 Ca 0.10 -0.13 -0.24 0.00 0.00 0.00 0.00 53.44 53.17 1juv n ALA 75 Cb 0.17 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.10 1juv n ALA 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1juv s ARG 76 N -2.62 2.27 0.72 0.00 0.52 -0.91 -5.11 118.95 113.83 1juv s ARG 76 Ca 0.25 -1.78 -0.16 0.00 -0.52 0.00 0.00 55.73 53.51 1juv s ARG 76 Cb 0.18 -2.05 0.03 0.00 0.52 0.00 0.00 34.95 33.64 1juv s ARG 76 CO 0.43 -0.11 1.26 -0.25 0.02 0.00 0.00 175.30 176.64 1juv n ASP 77 N -1.27 1.61 -4.73 0.23 10.43 -1.26 -4.92 116.55 116.64 1juv n ASP 77 Ca -0.01 0.72 -0.42 0.00 2.57 0.00 0.00 54.79 57.66 1juv n ASP 77 Cb 0.64 -1.54 -0.03 0.00 1.84 0.00 0.00 41.12 42.03 1juv n ASP 77 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1juv s TYR 78 N -1.72 3.09 0.29 1.24 4.12 -1.26 -4.97 117.35 118.14 1juv s TYR 78 Ca 0.79 0.83 -0.29 0.00 0.02 0.00 0.00 57.07 58.43 1juv s TYR 78 Cb -0.34 -3.83 -0.09 0.00 -1.52 0.00 0.00 41.96 36.17 1juv s TYR 78 CO 0.45 -2.93 1.04 -2.14 0.02 0.00 0.00 175.55 172.00 1juv s PRO 79 N 0.63 4.62 0.32 -1.71 0.02 -1.26 -5.04 135.00 132.58 1juv s PRO 79 Ca 0.65 1.65 0.07 0.00 0.02 0.00 0.00 61.00 63.40 1juv s PRO 79 Cb -0.41 -3.09 -0.06 0.00 0.02 0.00 0.00 34.50 30.95 1juv s PRO 79 CO 0.35 0.24 -0.04 0.14 -0.33 0.00 0.00 177.00 177.36 1juv s VAL 80 N -1.27 1.78 1.01 3.83 -7.23 -1.26 -4.54 120.40 112.72 1juv s VAL 80 Ca 0.46 -2.10 -0.15 0.00 -1.81 0.00 0.00 61.98 58.37 1juv s VAL 80 Cb -0.28 -2.65 0.20 0.00 0.56 0.00 0.00 36.38 34.21 1juv s VAL 80 CO 0.36 -0.18 1.17 0.42 -0.31 0.00 0.00 175.10 176.56 1juv s THR 81 N -2.91 1.89 -0.03 5.32 -4.23 -0.41 -3.89 115.64 111.37 1juv s THR 81 Ca 0.32 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.12 1juv s THR 81 Cb 0.05 -2.73 0.30 0.00 1.34 0.00 0.00 72.50 71.46 1juv s THR 81 CO 0.15 0.00 1.88 0.11 -0.54 0.00 0.00 174.62 176.21 1juv h LYS 82 N -1.86 0.00 -0.36 3.99 1.57 0.06 -0.60 116.57 119.37 1juv h LYS 82 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1juv h LYS 82 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1juv h LYS 82 CO 0.48 0.00 0.00 -3.47 -0.57 0.00 0.00 179.45 175.89 1juv n ASP 83 N -2.55 3.27 0.00 0.86 2.03 -0.48 -4.96 116.55 114.71 1juv n ASP 83 Ca -0.01 -1.94 0.00 0.00 0.52 0.00 0.00 54.79 53.37 1juv n ASP 83 Cb 0.13 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 1juv n ASP 83 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1juv n GLY 84 N 1.29 0.70 3.78 0.27 0.00 -0.23 -5.05 105.19 105.94 1juv n GLY 84 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1juv n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1juv s ASP 85 N -2.07 7.21 0.25 1.61 1.01 -1.26 -4.69 116.67 118.73 1juv s ASP 85 Ca 0.00 1.94 -0.01 0.00 0.71 0.00 0.00 52.55 55.19 1juv s ASP 85 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1juv s ASP 85 CO 0.00 -0.17 0.45 -0.76 0.21 0.00 0.00 175.17 174.91 1juv s LEU 86 N -2.08 4.16 0.84 1.23 1.02 -1.26 -1.29 118.68 121.30 1juv s LEU 86 Ca 0.51 0.43 -0.12 0.00 0.02 0.00 0.00 54.13 54.97 1juv s LEU 86 Cb -0.21 -3.23 0.09 0.00 0.02 0.00 0.00 46.19 42.86 1juv s LEU 86 CO 0.27 -0.13 1.12 0.00 0.02 0.00 0.00 176.35 177.63 1juv s ALA 87 N -2.02 2.18 0.17 4.21 0.00 -1.26 -4.97 121.76 120.06 1juv s ALA 87 Ca 0.39 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.97 1juv s ALA 87 Cb -0.10 -3.05 0.01 0.00 0.00 0.00 0.00 23.12 19.97 1juv s ALA 87 CO 0.31 -1.89 1.39 0.45 0.00 0.00 0.00 175.76 176.02 1juv h HIS 88 N -1.21 0.29 -3.00 0.00 3.86 -1.72 -3.44 115.15 109.94 1juv h HIS 88 Ca -0.48 -0.16 -0.14 0.00 -1.16 0.00 0.00 60.37 58.44 1juv h HIS 88 Cb 1.30 -0.03 -0.23 0.00 1.06 0.00 0.00 27.41 29.51 1juv h HIS 88 CO 0.38 0.96 -0.33 -0.06 0.86 0.00 0.00 177.93 179.74 1juv s PHE 89 N -3.24 -0.28 -0.09 2.45 0.40 -1.12 -4.22 117.98 111.87 1juv s PHE 89 Ca -0.03 0.64 0.04 0.00 -0.60 0.00 0.00 56.93 56.98 1juv s PHE 89 Cb 0.10 0.11 0.00 0.00 0.51 0.00 0.00 43.02 43.74 1juv s PHE 89 CO 0.83 -0.24 -0.23 0.71 0.70 0.00 0.00 175.22 176.99 1juv s TYR 90 N -0.34 2.41 0.21 0.36 1.51 -1.26 -1.25 117.35 118.98 1juv s TYR 90 Ca -0.05 -0.96 0.06 0.00 -1.01 0.00 0.00 57.07 55.11 1juv s TYR 90 Cb -0.03 -1.62 -0.05 0.00 -0.11 0.00 0.00 41.96 40.15 1juv s TYR 90 CO 0.02 -0.38 -0.09 0.96 -1.11 0.00 0.00 175.55 174.94 1juv s ILE 91 N 0.33 1.42 0.58 2.71 -4.36 -0.47 -4.81 121.20 116.61 1juv s ILE 91 Ca -0.17 -2.12 -0.06 0.00 -0.26 0.00 0.00 60.65 58.04 1juv s ILE 91 Cb -0.17 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.43 1juv s ILE 91 CO 0.08 -0.53 0.89 0.42 0.24 0.00 0.00 174.94 176.04 1juv s THR 92 N -3.17 3.69 0.36 8.37 -4.23 -1.26 -2.02 115.64 117.38 1juv s THR 92 Ca 0.23 -0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.77 1juv s THR 92 Cb 0.02 -3.46 0.24 0.00 1.34 0.00 0.00 72.50 70.64 1juv s THR 92 CO 0.06 -0.47 1.99 -0.50 -0.54 0.00 0.00 174.62 175.16 1juv h TRP 93 N -0.15 0.71 -0.57 3.99 4.06 -1.93 -0.88 115.95 121.18 1juv h TRP 93 Ca -0.45 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.50 1juv h TRP 93 Cb 1.25 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 29.15 1juv h TRP 93 CO 0.47 0.48 0.37 1.49 -3.56 0.00 0.00 178.44 177.70 1juv h GLU 94 N 0.74 0.75 -0.66 0.49 4.22 -1.97 0.14 114.58 118.28 1juv h GLU 94 Ca 0.19 -0.05 -0.06 0.00 0.08 0.00 0.00 59.36 59.52 1juv h GLU 94 Cb -0.01 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1juv h GLU 94 CO -0.03 0.51 0.17 1.96 -2.18 0.00 0.00 179.01 179.43 1juv h GLN 95 N 0.77 1.06 -0.07 1.92 4.20 -1.72 -0.22 115.11 121.04 1juv h GLN 95 Ca 0.21 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1juv h GLN 95 Cb -0.07 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 1juv h GLN 95 CO -0.04 0.94 0.04 -0.92 -0.67 0.00 0.00 178.83 178.17 1juv h TYR 96 N 0.99 0.07 -0.43 2.96 3.20 -0.50 -0.80 116.97 122.46 1juv h TYR 96 Ca 0.21 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 1juv h TYR 96 Cb 0.35 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1juv h TYR 96 CO 0.03 0.04 0.03 0.82 -1.64 0.00 0.00 178.16 177.43 1juv h ILE 97 N 0.08 1.26 -0.95 1.81 1.08 -0.60 -1.15 117.51 119.04 1juv h ILE 97 Ca 0.03 -0.98 0.06 0.00 -0.39 0.00 0.00 64.86 63.58 1juv h ILE 97 Cb 0.00 1.05 -0.06 0.00 -3.07 0.00 0.00 36.82 34.74 1juv h ILE 97 CO -0.02 0.34 0.62 0.74 -0.69 0.00 0.00 178.15 179.13 1juv h THR 98 N 0.58 1.09 0.36 -0.27 2.02 -0.85 -1.09 112.91 114.76 1juv h THR 98 Ca 0.12 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1juv h THR 98 Cb 0.45 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1juv h THR 98 CO 0.02 0.20 -0.17 0.22 0.37 0.00 0.00 175.52 176.16 1juv h TYR 99 N 1.11 -0.45 0.00 3.16 3.20 -0.83 0.19 116.97 123.36 1juv h TYR 99 Ca 0.40 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 1juv h TYR 99 Cb 0.15 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1juv h TYR 99 CO -0.00 -0.17 -0.05 -0.84 -1.64 0.00 0.00 178.16 175.46 1juv h ILE 100 N -1.04 0.96 0.00 1.81 3.07 -1.16 -0.58 117.51 120.56 1juv h ILE 100 Ca -0.05 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.19 1juv h ILE 100 Cb 0.49 1.09 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 1juv h ILE 100 CO 0.08 0.05 0.00 -1.54 -1.05 0.00 0.00 178.15 175.69 1juv n SER 101 N -4.37 0.00 0.00 2.16 3.41 -0.42 -4.79 113.62 109.61 1juv n SER 101 Ca -0.03 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 1juv n SER 101 Cb 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1juv n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1juv n GLY 102 N 0.62 1.03 0.00 5.00 0.00 -0.24 -5.07 105.19 106.53 1juv n GLY 102 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1juv n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1juv n GLY 103 N -0.33 0.58 3.01 -0.02 0.00 0.67 -4.86 105.19 104.24 1juv n GLY 103 Ca 0.00 -1.87 -0.18 0.00 0.00 0.00 0.00 46.02 43.97 1juv n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1juv s GLU 104 N -0.00 0.67 0.10 1.61 2.02 -1.26 -4.25 118.70 117.58 1juv s GLU 104 Ca 0.00 -0.29 0.03 0.00 0.02 0.00 0.00 54.97 54.73 1juv s GLU 104 Cb 0.00 -0.65 -0.04 0.00 0.10 0.00 0.00 34.13 33.55 1juv s GLU 104 CO 0.00 0.18 -0.09 0.96 0.02 0.00 0.00 175.26 176.32 1juv s ILE 105 N -0.19 0.89 -0.23 -1.63 -4.36 -0.56 -4.88 121.20 110.24 1juv s ILE 105 Ca 0.03 -1.68 -0.06 0.00 -0.26 0.00 0.00 60.65 58.68 1juv s ILE 105 Cb -0.03 -1.40 -0.03 0.00 1.25 0.00 0.00 42.46 42.25 1juv s ILE 105 CO -0.00 -0.61 0.04 -1.10 0.24 0.00 0.00 174.94 173.50 1juv s GLN 106 N -2.95 3.63 -0.06 0.37 -1.52 -1.26 -1.24 119.66 116.63 1juv s GLN 106 Ca 0.06 -0.50 -0.02 0.00 -1.95 0.00 0.00 55.36 52.96 1juv s GLN 106 Cb -0.02 -3.21 -0.04 0.00 -0.22 0.00 0.00 33.01 29.53 1juv s GLN 106 CO -0.01 -0.10 0.04 0.14 -0.25 0.00 0.00 175.29 175.11 1juv s VAL 107 N 1.34 4.57 0.05 1.09 -7.23 -0.16 -4.91 120.40 115.15 1juv s VAL 107 Ca 0.05 -0.27 0.07 0.00 -1.81 0.00 0.00 61.98 60.01 1juv s VAL 107 Cb -0.15 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 1juv s VAL 107 CO 0.02 0.51 -0.19 -0.55 -0.31 0.00 0.00 175.10 174.59 1juv s SER 108 N -1.21 2.22 0.77 4.85 0.15 -1.26 0.07 113.70 119.28 1juv s SER 108 Ca 0.17 -0.52 -0.15 0.00 0.70 0.00 0.00 55.95 56.15 1juv s SER 108 Cb -0.12 -0.17 0.04 0.00 -1.71 0.00 0.00 66.02 64.07 1juv s SER 108 CO 0.07 0.11 1.04 -1.20 1.20 0.00 0.00 173.24 174.45 1juv n SER 109 N 1.78 0.60 0.16 5.45 7.64 0.42 -4.31 113.62 125.35 1juv n SER 109 Ca -0.18 0.62 -0.14 0.00 1.01 0.00 0.00 58.87 60.18 1juv n SER 109 Cb 0.54 -1.44 -0.08 0.00 -1.01 0.00 0.00 64.21 62.22 1juv n SER 109 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1juv h PRO 110 N -0.56 -0.34 -0.84 1.43 0.13 -1.84 -3.31 132.00 126.67 1juv h PRO 110 Ca -0.47 0.02 -0.59 0.00 -0.87 0.00 0.00 66.00 64.09 1juv h PRO 110 Cb 1.32 0.08 -0.38 0.00 0.13 0.00 0.00 31.00 32.14 1juv h PRO 110 CO 0.46 -0.15 -0.23 0.09 -0.23 0.00 0.00 178.00 177.94 1juv n ASN 111 N -5.20 5.89 -3.51 1.44 3.02 -1.26 -5.00 115.26 110.64 1juv n ASN 111 Ca -0.10 -3.76 -0.15 0.00 -0.03 0.00 0.00 54.58 50.54 1juv n ASN 111 Cb 0.19 -0.56 -0.05 0.00 -0.61 0.00 0.00 39.78 38.75 1juv n ASN 111 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1juv s ALA 112 N -3.68 -1.78 0.49 5.41 0.00 -1.25 -5.04 121.76 115.91 1juv s ALA 112 Ca 0.56 1.21 0.38 0.00 0.00 0.00 0.00 51.96 54.10 1juv s ALA 112 Cb 0.44 0.04 1.96 0.00 0.00 0.00 0.00 23.12 25.56 1juv s ALA 112 CO 0.02 -0.45 2.22 -1.35 0.00 0.00 0.00 175.76 176.21 1juv h PRO 113 N 2.68 0.00 -6.29 0.00 0.11 -1.94 -3.33 132.00 123.23 1juv h PRO 113 Ca -0.26 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.20 1juv h PRO 113 Cb 1.18 0.00 0.09 0.00 0.11 0.00 0.00 31.00 32.38 1juv h PRO 113 CO 0.37 0.02 0.11 0.34 -0.21 0.00 0.00 178.00 178.63 1juv n PHE 114 N -3.27 0.98 -3.70 0.65 7.35 -1.26 -4.77 117.46 113.44 1juv n PHE 114 Ca -0.02 0.75 -0.14 0.00 -0.76 0.00 0.00 57.45 57.28 1juv n PHE 114 Cb 0.16 -2.21 -0.08 0.00 0.35 0.00 0.00 39.48 37.69 1juv n PHE 114 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 1juv s GLU 115 N -0.69 0.75 0.26 -4.13 -1.05 -1.26 -0.43 118.70 112.15 1juv s GLU 115 Ca 0.70 -0.03 -0.01 0.00 -0.15 0.00 0.00 54.97 55.48 1juv s GLU 115 Cb -0.86 0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 33.15 1juv s GLU 115 CO 0.55 -0.21 0.28 -0.08 0.95 0.00 0.00 175.26 176.75 1juv s THR 116 N -1.18 0.00 -0.17 1.83 -1.32 0.11 -4.95 115.64 109.96 1juv s THR 116 Ca -0.12 -1.83 -0.14 0.00 -1.21 0.00 0.00 61.69 58.39 1juv s THR 116 Cb -0.04 -2.47 -0.05 0.00 -1.51 0.00 0.00 72.50 68.43 1juv s THR 116 CO 0.05 0.00 0.29 -0.04 -2.21 0.00 0.00 174.62 172.71 1juv s MET 117 N -3.79 4.24 -0.28 7.08 -1.94 -1.26 -0.99 119.30 122.36 1juv s MET 117 Ca 0.35 0.07 0.00 0.00 -1.71 0.00 0.00 55.69 54.41 1juv s MET 117 Cb 0.03 -3.44 0.05 0.00 2.01 0.00 0.00 34.83 33.48 1juv s MET 117 CO 0.16 0.20 -0.05 -1.17 -0.01 0.00 0.00 175.02 174.15 1juv s LEU 118 N 0.60 3.66 0.00 -0.03 2.96 -0.38 -4.98 118.68 120.51 1juv s LEU 118 Ca 0.16 -1.29 0.00 0.00 -0.22 0.00 0.00 54.13 52.78 1juv s LEU 118 Cb -0.13 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.91 1juv s LEU 118 CO 0.04 -0.22 0.00 -0.90 -1.32 0.00 0.00 176.35 173.95 1juv n ASP 119 N 4.55 1.20 0.00 3.68 5.68 -1.26 -1.49 116.55 128.91 1juv n ASP 119 Ca -0.14 -0.82 0.09 0.00 -0.50 0.00 0.00 54.79 53.42 1juv n ASP 119 Cb 0.43 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 40.93 1juv n ASP 119 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1juv n GLN 120 N 0.00 0.51 -0.00 0.11 1.13 -1.26 -1.65 117.38 116.22 1juv n GLN 120 Ca 0.00 0.02 0.09 0.00 -1.94 0.00 0.00 57.00 55.18 1juv n GLN 120 Cb 0.00 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 28.73 1juv n GLN 120 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1juv n ASN 121 N -1.05 0.79 -4.77 1.08 3.02 -1.26 -2.97 115.26 110.11 1juv n ASN 121 Ca 0.13 -0.70 -0.35 0.00 -0.03 0.00 0.00 54.58 53.62 1juv n ASN 121 Cb 0.08 1.24 0.02 0.00 -0.61 0.00 0.00 39.78 40.50 1juv n ASN 121 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1juv s SER 122 N -3.20 5.47 -0.34 6.41 0.01 -0.66 -4.52 113.70 116.88 1juv s SER 122 Ca 0.03 2.26 -0.12 0.00 1.31 0.00 0.00 55.95 59.43 1juv s SER 122 Cb 0.14 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 1juv s SER 122 CO 0.80 -1.39 0.21 -0.54 0.41 0.00 0.00 173.24 172.73 1juv s LYS 123 N -3.34 3.37 0.06 12.44 1.02 -1.26 -0.94 119.74 131.10 1juv s LYS 123 Ca 0.74 -0.72 0.07 0.00 0.02 0.00 0.00 55.97 56.09 1juv s LYS 123 Cb -0.26 -3.74 -0.03 0.00 -0.52 0.00 0.00 37.83 33.28 1juv s LYS 123 CO 0.30 -0.47 -0.21 0.08 -0.92 0.00 0.00 175.35 174.14 1juv s VAL 124 N 1.68 1.66 -0.14 3.17 1.01 -0.01 -0.48 120.40 127.29 1juv s VAL 124 Ca 0.05 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 60.75 1juv s VAL 124 Cb -0.17 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.75 1juv s VAL 124 CO 0.09 0.12 -0.16 -0.44 0.00 0.00 0.00 175.10 174.71 1juv s SER 125 N -1.39 2.70 -0.24 3.32 0.01 -0.26 -0.71 113.70 117.13 1juv s SER 125 Ca 0.07 -0.50 -0.13 0.00 1.31 0.00 0.00 55.95 56.70 1juv s SER 125 Cb -0.09 -1.21 -0.04 0.00 0.21 0.00 0.00 66.02 64.88 1juv s SER 125 CO 0.02 -0.01 0.28 -0.69 0.41 0.00 0.00 173.24 173.25 1juv s VAL 126 N 1.21 5.27 -0.01 3.43 1.01 0.68 -0.36 120.40 131.63 1juv s VAL 126 Ca -0.01 0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 1juv s VAL 126 Cb -0.14 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 1juv s VAL 126 CO -0.07 0.27 -0.01 2.30 0.00 0.00 0.00 175.10 177.60 1juv n ILE 127 N 4.53 0.04 -5.09 2.22 -5.35 -0.78 -1.35 119.36 113.59 1juv n ILE 127 Ca -0.12 -0.01 -0.31 0.00 -0.27 0.00 0.00 62.75 62.04 1juv n ILE 127 Cb 0.51 -1.41 -0.15 0.00 -1.74 0.00 0.00 39.64 36.85 1juv n ILE 127 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1juv s GLY 128 N -4.92 1.38 0.00 3.28 0.00 -1.26 -4.65 107.32 101.16 1juv s GLY 128 Ca -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.60 1juv s GLY 128 CO 0.01 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 172.79 1juv n GLY 129 N 2.23 1.21 0.38 0.20 0.00 -1.26 -2.13 105.19 105.82 1juv n GLY 129 Ca -0.16 -1.00 0.16 0.00 0.00 0.00 0.00 46.02 45.02 1juv n GLY 129 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1juv h PRO 130 N 0.00 0.32 -0.80 1.61 0.11 -1.93 -0.73 132.00 130.58 1juv h PRO 130 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1juv h PRO 130 Cb 0.00 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.00 1juv h PRO 130 CO 0.00 0.21 0.51 0.00 -0.21 0.00 0.00 178.00 178.51 1juv h ALA 131 N 1.66 1.02 -0.45 -0.75 0.00 -1.99 0.21 119.26 118.95 1juv h ALA 131 Ca 0.35 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 1juv h ALA 131 Cb 0.89 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1juv h ALA 131 CO -0.09 0.45 -0.13 -0.07 0.00 0.00 0.00 179.25 179.40 1juv h LEU 132 N 1.09 0.90 -0.28 0.00 4.07 -1.43 -2.18 115.31 117.48 1juv h LEU 132 Ca 0.29 -0.37 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 1juv h LEU 132 Cb -0.09 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.39 1juv h LEU 132 CO -0.06 1.07 0.07 -0.07 -1.08 0.00 0.00 178.44 178.37 1juv h LEU 133 N 0.73 0.42 -1.13 1.67 3.38 -0.78 -1.67 115.31 117.92 1juv h LEU 133 Ca 0.11 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1juv h LEU 133 Cb 0.68 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1juv h LEU 133 CO 0.05 0.53 0.18 1.88 0.09 0.00 0.00 178.44 181.17 1juv h TYR 134 N 0.29 0.80 -0.08 1.13 0.99 -0.59 -1.73 116.97 117.78 1juv h TYR 134 Ca 0.09 -0.05 -0.13 0.00 2.00 0.00 0.00 58.73 60.64 1juv h TYR 134 Cb 0.27 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 37.75 1juv h TYR 134 CO 0.01 0.64 -0.54 0.00 -0.00 0.00 0.00 178.16 178.28 1juv h ALA 135 N 1.42 0.95 0.00 3.88 0.00 -1.19 -3.27 119.26 121.05 1juv h ALA 135 Ca 0.18 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1juv h ALA 135 Cb 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1juv h ALA 135 CO -0.01 0.68 -0.92 0.00 0.00 0.00 0.00 179.25 179.00 1juv h ALA 136 N 1.27 0.66 -0.67 0.00 0.00 -0.92 -3.39 119.26 116.22 1juv h ALA 136 Ca 0.00 -0.49 0.14 0.00 0.00 0.00 0.00 54.91 54.57 1juv h ALA 136 Cb 1.00 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 1juv h ALA 136 CO 0.08 0.57 -0.02 1.25 0.00 0.00 0.00 179.25 181.13 1juv h LEU 137 N 0.00 -0.34 -2.45 0.00 5.85 -1.38 0.68 115.31 117.67 1juv h LEU 137 Ca -0.07 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1juv h LEU 137 Cb 1.36 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1juv h LEU 137 CO 0.04 -0.15 0.00 1.55 -0.34 0.00 0.00 178.44 179.54 1juv h PRO 138 N 0.10 0.00 -0.01 5.25 0.13 -1.79 -2.47 132.00 133.21 1juv h PRO 138 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.48 1juv h PRO 138 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1juv h PRO 138 CO -0.59 0.00 -0.36 0.66 -0.23 0.00 0.00 178.00 177.48 1juv n TYR 139 N -2.94 0.00 -2.13 1.56 4.02 0.10 -5.02 117.16 112.74 1juv n TYR 139 Ca -0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.49 1juv n TYR 139 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 1juv n TYR 139 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1juv s ALA 140 N -1.88 3.00 -0.13 -0.72 0.00 -0.41 -4.79 121.76 116.82 1juv s ALA 140 Ca 0.12 1.06 0.17 0.00 0.00 0.00 0.00 51.96 53.31 1juv s ALA 140 Cb 0.12 -3.44 -0.23 0.00 0.00 0.00 0.00 23.12 19.57 1juv s ALA 140 CO 0.41 -0.82 0.43 -0.25 0.00 0.00 0.00 175.76 175.53 1juv n ASP 141 N -0.46 0.38 -3.79 0.00 8.00 0.31 -4.96 116.55 116.03 1juv n ASP 141 Ca 0.07 0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.62 1juv n ASP 141 Cb 0.47 0.73 -0.10 0.00 -0.02 0.00 0.00 41.12 42.19 1juv n ASP 141 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1juv s GLU 142 N -2.76 0.43 -0.12 -1.24 2.12 -1.06 -4.60 118.70 111.48 1juv s GLU 142 Ca -0.07 0.09 -0.00 0.00 0.36 0.00 0.00 54.97 55.35 1juv s GLU 142 Cb 0.08 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.69 1juv s GLU 142 CO 0.84 -0.09 -0.09 0.08 -0.54 0.00 0.00 175.26 175.46 1juv s VAL 143 N -0.49 1.13 -0.36 3.70 1.01 -0.14 -1.01 120.40 124.23 1juv s VAL 143 Ca -0.06 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1juv s VAL 143 Cb -0.04 -1.12 0.07 0.00 0.00 0.00 0.00 36.38 35.29 1juv s VAL 143 CO 0.02 0.38 0.12 -0.69 0.00 0.00 0.00 175.10 174.93 1juv s VAL 144 N 1.62 3.36 -0.11 2.92 1.01 0.10 -0.49 120.40 128.82 1juv s VAL 144 Ca 0.04 -1.58 0.02 0.00 0.00 0.00 0.00 61.98 60.46 1juv s VAL 144 Cb -0.13 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1juv s VAL 144 CO -0.08 -0.37 -0.18 0.54 0.00 0.00 0.00 175.10 175.01 1juv s VAL 145 N 1.26 2.61 -0.09 2.92 0.11 -0.35 -1.85 120.40 125.02 1juv s VAL 145 Ca 0.01 -0.83 0.01 0.00 -2.93 0.00 0.00 61.98 58.24 1juv s VAL 145 Cb -0.21 -2.05 -0.03 0.00 -1.53 0.00 0.00 36.38 32.56 1juv s VAL 145 CO -0.01 0.54 -0.09 -0.44 -3.33 0.00 0.00 175.10 171.77 1juv s SER 146 N 0.24 4.42 -0.26 3.54 0.01 -0.39 -0.76 113.70 120.51 1juv s SER 146 Ca -0.12 -0.13 -0.02 0.00 1.31 0.00 0.00 55.95 56.99 1juv s SER 146 Cb -0.16 -1.27 0.03 0.00 0.21 0.00 0.00 66.02 64.83 1juv s SER 146 CO 0.06 0.30 -0.05 -0.60 0.41 0.00 0.00 173.24 173.36 1juv s ARG 147 N -0.41 2.78 -0.26 12.44 3.52 0.71 -1.36 118.95 136.37 1juv s ARG 147 Ca 0.06 -1.02 -0.10 0.00 -0.13 0.00 0.00 55.73 54.54 1juv s ARG 147 Cb -0.12 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 1juv s ARG 147 CO 0.02 -0.43 0.15 0.42 -0.81 0.00 0.00 175.30 174.64 1juv s ILE 148 N 1.32 5.05 -0.19 4.11 1.09 -0.18 -1.15 121.20 131.25 1juv s ILE 148 Ca -0.01 0.08 -0.03 0.00 -1.10 0.00 0.00 60.65 59.59 1juv s ILE 148 Cb -0.17 -3.38 -0.01 0.00 -1.06 0.00 0.00 42.46 37.84 1juv s ILE 148 CO -0.04 0.31 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.36 1juv s VAL 149 N 1.48 3.38 -0.02 2.92 1.01 -0.26 -4.05 120.40 124.87 1juv s VAL 149 Ca 0.07 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1juv s VAL 149 Cb -0.15 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1juv s VAL 149 CO 0.07 0.45 -0.02 -0.54 0.00 0.00 0.00 175.10 175.06 1juv s LYS 150 N 1.08 2.75 0.25 2.72 -0.14 -1.26 -1.47 119.74 123.67 1juv s LYS 150 Ca 0.01 -0.60 -0.05 0.00 -1.36 0.00 0.00 55.97 53.96 1juv s LYS 150 Cb -0.15 -2.63 0.28 0.00 -1.68 0.00 0.00 37.83 33.65 1juv s LYS 150 CO -0.01 0.63 1.89 -0.09 -0.76 0.00 0.00 175.35 177.02 1juv h ARG 151 N 4.60 1.21 -6.26 1.68 2.43 -1.56 -3.43 114.38 113.06 1juv h ARG 151 Ca -0.49 -0.12 -0.57 0.00 -0.81 0.00 0.00 59.98 57.99 1juv h ARG 151 Cb 1.18 -0.25 -0.09 0.00 -0.42 0.00 0.00 29.97 30.39 1juv h ARG 151 CO 0.55 0.87 -0.61 -1.01 -1.51 0.00 0.00 179.97 178.26 1juv s HIS 152 N -5.86 2.94 0.44 2.20 3.76 -1.26 -5.09 115.29 112.42 1juv s HIS 152 Ca -0.12 -0.12 -0.22 0.00 -0.15 0.00 0.00 55.06 54.44 1juv s HIS 152 Cb 0.17 -1.38 -0.11 0.00 1.11 0.00 0.00 32.58 32.37 1juv s HIS 152 CO 0.82 0.54 0.75 0.54 -0.85 0.00 0.00 174.74 176.54 1juv n ARG 153 N -0.50 0.88 -4.55 1.40 1.74 -1.26 -5.03 116.66 109.35 1juv n ARG 153 Ca -0.08 0.32 -0.28 0.00 -0.77 0.00 0.00 57.85 57.04 1juv n ARG 153 Cb 0.56 -1.77 -0.14 0.00 -1.02 0.00 0.00 32.46 30.10 1juv n ARG 153 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1juv s VAL 154 N -1.41 2.06 0.38 1.55 -7.23 -1.26 -5.07 120.40 109.42 1juv s VAL 154 Ca 0.65 -1.55 0.02 0.00 -1.81 0.00 0.00 61.98 59.29 1juv s VAL 154 Cb -0.56 -1.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.55 1juv s VAL 154 CO 0.56 0.16 0.56 0.20 -0.31 0.00 0.00 175.10 176.27 1juv s ASN 155 N -1.70 6.02 -0.02 4.85 -0.87 -1.26 -4.83 114.94 117.13 1juv s ASN 155 Ca 0.11 0.18 -0.29 0.00 -1.57 0.00 0.00 52.86 51.29 1juv s ASN 155 Cb -0.10 -1.60 0.07 0.00 -0.02 0.00 0.00 41.25 39.61 1juv s ASN 155 CO 0.04 -0.48 0.69 -0.94 -2.57 0.00 0.00 177.10 173.84 1juv s SER 156 N -4.14 -0.62 -0.01 -1.22 1.04 -1.26 -4.50 113.70 102.98 1juv s SER 156 Ca 0.44 0.56 0.10 0.00 0.48 0.00 0.00 55.95 57.52 1juv s SER 156 Cb -0.10 0.53 -0.13 0.00 0.10 0.00 0.00 66.02 66.43 1juv s SER 156 CO 0.35 -0.66 0.30 0.35 0.98 0.00 0.00 173.24 174.56 1juv n THR 157 N 0.64 0.00 -4.58 2.02 -2.24 0.13 -4.95 114.28 105.31 1juv n THR 157 Ca -0.18 -0.25 -0.24 0.00 -2.27 0.00 0.00 64.05 61.11 1juv n THR 157 Cb 0.59 0.61 -0.16 0.00 -2.10 0.00 0.00 70.33 69.26 1juv n THR 157 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1juv s VAL 158 N -2.32 1.10 0.28 2.28 1.01 -0.59 -4.97 120.40 117.19 1juv s VAL 158 Ca -0.00 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.57 1juv s VAL 158 Cb 0.07 -0.99 -0.06 0.00 0.00 0.00 0.00 36.38 35.40 1juv s VAL 158 CO 0.40 0.34 -0.08 -1.10 0.00 0.00 0.00 175.10 174.66 1juv s GLN 159 N 0.49 1.57 0.04 2.72 1.11 -1.26 -0.98 119.66 123.36 1juv s GLN 159 Ca -0.11 -1.79 0.01 0.00 0.01 0.00 0.00 55.36 53.49 1juv s GLN 159 Cb -0.14 -1.26 -0.04 0.00 -1.01 0.00 0.00 33.01 30.56 1juv s GLN 159 CO 0.03 0.08 0.11 -1.17 0.01 0.00 0.00 175.29 174.34 1juv s LEU 160 N -3.46 3.96 0.03 2.90 2.96 -0.48 -4.86 118.68 119.73 1juv s LEU 160 Ca 0.29 0.11 -0.26 0.00 -0.22 0.00 0.00 54.13 54.05 1juv s LEU 160 Cb 0.03 -2.50 -0.05 0.00 0.50 0.00 0.00 46.19 44.17 1juv s LEU 160 CO 0.12 0.21 0.80 -1.81 -1.32 0.00 0.00 176.35 174.36 1juv s ASP 161 N -2.16 7.23 0.51 3.68 -0.00 -1.26 -4.41 116.67 120.26 1juv s ASP 161 Ca 0.28 1.47 0.18 0.00 -0.00 0.00 0.00 52.55 54.48 1juv s ASP 161 Cb -0.12 -2.49 1.27 0.00 -0.00 0.00 0.00 42.92 41.58 1juv s ASP 161 CO 0.20 -0.05 2.09 0.00 -0.00 0.00 0.00 175.17 177.41 1juv h ALA 162 N 5.99 2.14 -0.19 5.23 0.00 -1.98 -0.83 119.26 129.61 1juv h ALA 162 Ca -0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1juv h ALA 162 Cb 1.21 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1juv h ALA 162 CO 0.72 -0.19 0.05 0.66 0.00 0.00 0.00 179.25 180.49 1juv h SER 163 N 0.06 0.23 -0.23 0.00 4.64 -1.99 -1.15 113.55 115.11 1juv h SER 163 Ca 0.10 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1juv h SER 163 Cb 0.34 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1juv h SER 163 CO -0.01 0.25 0.09 0.15 -0.87 0.00 0.00 176.83 176.44 1juv h PHE 164 N 0.26 0.35 -0.12 4.77 -0.00 -1.54 -0.08 116.94 120.57 1juv h PHE 164 Ca 0.07 -0.03 -0.08 0.00 -0.00 0.00 0.00 57.97 57.93 1juv h PHE 164 Cb 0.11 -0.10 -0.01 0.00 -0.00 0.00 0.00 35.95 35.94 1juv h PHE 164 CO 0.00 0.38 -0.28 -0.07 -0.00 0.00 0.00 178.31 178.34 1juv h LEU 165 N 0.21 0.23 -0.42 0.59 3.38 -1.45 -2.25 115.31 115.61 1juv h LEU 165 Ca 0.08 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1juv h LEU 165 Cb 0.18 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1juv h LEU 165 CO -0.01 0.51 0.06 0.44 0.09 0.00 0.00 178.44 179.53 1juv h ASP 166 N 0.20 0.67 -0.52 -0.43 3.45 -0.80 -1.06 116.42 117.94 1juv h ASP 166 Ca 0.03 -0.27 -0.03 0.00 0.43 0.00 0.00 57.03 57.19 1juv h ASP 166 Cb 0.61 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 39.17 1juv h ASP 166 CO 0.04 0.77 0.22 0.44 -1.57 0.00 0.00 179.24 179.14 1juv h ASP 167 N 0.54 0.74 -0.46 6.45 3.32 -0.69 -2.49 116.42 123.84 1juv h ASP 167 Ca 0.12 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 1juv h ASP 167 Cb 0.39 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1juv h ASP 167 CO 0.01 0.67 -0.20 0.40 -1.72 0.00 0.00 179.24 178.40 1juv h ILE 168 N 0.80 1.27 0.00 0.35 2.04 -1.14 -2.85 117.51 117.98 1juv h ILE 168 Ca 0.19 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1juv h ILE 168 Cb 0.16 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1juv h ILE 168 CO -0.02 0.47 0.00 0.77 0.00 0.00 0.00 178.15 179.37 1juv h SER 169 N 0.79 0.00 1.21 1.72 4.64 -0.73 -0.25 113.55 120.93 1juv h SER 169 Ca 0.10 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1juv h SER 169 Cb 0.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1juv h SER 169 CO 0.06 0.00 -0.17 0.11 -0.87 0.00 0.00 176.83 175.96 1juv h LYS 170 N 0.00 0.00 -7.44 4.77 1.79 -1.39 -3.45 116.57 110.84 1juv h LYS 170 Ca 0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 1juv h LYS 170 Cb 0.07 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 30.82 1juv h LYS 170 CO 0.00 0.17 0.35 1.03 -1.08 0.00 0.00 179.45 179.93 1juv s ARG 171 N -3.48 2.17 -0.30 3.15 0.52 -0.11 -5.00 118.95 115.90 1juv s ARG 171 Ca 0.02 0.54 -0.29 0.00 -0.52 0.00 0.00 55.73 55.48 1juv s ARG 171 Cb 0.09 -1.94 0.01 0.00 0.52 0.00 0.00 34.95 33.63 1juv s ARG 171 CO 0.64 -1.54 1.09 -2.00 0.02 0.00 0.00 175.30 173.51 1juv s GLU 172 N -5.23 4.09 -0.02 3.54 2.12 -1.26 -4.87 118.70 117.07 1juv s GLU 172 Ca 0.60 1.14 -0.29 0.00 0.36 0.00 0.00 54.97 56.79 1juv s GLU 172 Cb -0.13 -3.73 -0.03 0.00 0.26 0.00 0.00 34.13 30.49 1juv s GLU 172 CO 0.53 -0.87 0.93 1.41 -0.54 0.00 0.00 175.26 176.72 1juv s MET 173 N 3.62 4.53 -0.00 4.30 -2.45 -1.26 -0.81 119.30 127.23 1juv s MET 173 Ca 0.46 1.32 0.02 0.00 -1.25 0.00 0.00 55.69 56.24 1juv s MET 173 Cb -0.13 -3.46 -0.02 0.00 1.25 0.00 0.00 34.83 32.46 1juv s MET 173 CO 0.14 -0.05 0.07 1.33 1.05 0.00 0.00 175.02 177.57 1juv n VAL 174 N 3.92 0.00 -3.69 10.11 0.24 0.03 -4.97 118.33 123.98 1juv n VAL 174 Ca 0.05 -0.40 -0.14 0.00 -2.04 0.00 0.00 64.34 61.81 1juv n VAL 174 Cb 0.51 0.93 -0.09 0.00 -1.47 0.00 0.00 33.84 33.72 1juv n VAL 174 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1juv s GLU 175 N -1.30 0.64 -0.15 7.34 2.02 -1.17 -4.99 118.70 121.08 1juv s GLU 175 Ca 0.01 0.54 -0.10 0.00 0.02 0.00 0.00 54.97 55.43 1juv s GLU 175 Cb 0.01 0.31 0.05 0.00 0.10 0.00 0.00 34.13 34.60 1juv s GLU 175 CO 0.08 -0.11 0.38 -0.08 0.02 0.00 0.00 175.26 175.55 1juv s THR 176 N -0.08 -0.02 -0.09 3.63 -1.32 -1.26 -0.35 115.64 116.15 1juv s THR 176 Ca -0.03 0.07 0.02 0.00 -1.21 0.00 0.00 61.69 60.54 1juv s THR 176 Cb -0.03 -0.56 0.01 0.00 -1.51 0.00 0.00 72.50 70.41 1juv s THR 176 CO 0.02 0.03 -0.15 -1.00 -2.21 0.00 0.00 174.62 171.31 1juv s HIS 177 N 0.98 1.81 -0.06 9.09 3.76 0.11 -4.96 115.29 126.01 1juv s HIS 177 Ca -0.06 -0.76 0.06 0.00 -0.15 0.00 0.00 55.06 54.14 1juv s HIS 177 Cb -0.07 -1.30 -0.01 0.00 1.11 0.00 0.00 32.58 32.31 1juv s HIS 177 CO -0.08 -0.38 -0.24 -0.46 -0.85 0.00 0.00 174.74 172.73 1juv s TRP 178 N 0.78 2.47 -0.00 1.40 -0.00 -1.26 0.21 118.94 122.54 1juv s TRP 178 Ca -0.11 -0.71 0.03 0.00 -0.00 0.00 0.00 56.10 55.30 1juv s TRP 178 Cb -0.16 -1.62 -0.01 0.00 -0.00 0.00 0.00 33.47 31.69 1juv s TRP 178 CO 0.02 -0.21 -0.09 0.71 -0.00 0.00 0.00 176.95 177.38 1juv s TYR 179 N -0.15 0.81 -0.55 5.86 1.51 0.65 -4.98 117.35 120.50 1juv s TYR 179 Ca -0.04 -0.17 -0.20 0.00 -1.01 0.00 0.00 57.07 55.65 1juv s TYR 179 Cb -0.14 -0.52 0.07 0.00 -0.11 0.00 0.00 41.96 41.26 1juv s TYR 179 CO 0.04 -0.01 0.70 0.21 -1.11 0.00 0.00 175.55 175.38 1juv s LYS 180 N -0.29 3.12 0.02 -0.62 2.20 -1.26 -1.40 119.74 121.51 1juv s LYS 180 Ca 0.03 -0.95 -0.22 0.00 -0.36 0.00 0.00 55.97 54.48 1juv s LYS 180 Cb -0.04 -4.15 -0.16 0.00 -1.51 0.00 0.00 37.83 31.97 1juv s LYS 180 CO -0.00 -1.38 1.32 0.82 -0.36 0.00 0.00 175.35 175.74 1juv h ILE 181 N 5.90 1.36 -2.50 5.43 1.08 -1.27 -3.49 117.51 124.03 1juv h ILE 181 Ca -0.28 -1.29 0.03 0.00 -0.39 0.00 0.00 64.86 62.93 1juv h ILE 181 Cb 1.09 1.97 -0.00 0.00 -3.07 0.00 0.00 36.82 36.81 1juv h ILE 181 CO 1.03 0.37 0.27 -0.90 -0.69 0.00 0.00 178.15 178.23 1juv n ASP 182 N -4.63 -1.41 0.25 1.72 5.68 -0.98 -4.97 116.55 112.22 1juv n ASP 182 Ca -0.07 -1.90 0.13 0.00 -0.50 0.00 0.00 54.79 52.45 1juv n ASP 182 Cb 0.34 2.34 0.69 0.00 -1.14 0.00 0.00 41.12 43.35 1juv n ASP 182 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1juv h GLU 183 N 0.00 0.00 0.00 0.11 4.39 -2.03 -2.33 114.58 114.72 1juv h GLU 183 Ca -0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1juv h GLU 183 Cb 0.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1juv h GLU 183 CO 0.27 0.00 -0.21 1.33 -1.16 0.00 0.00 179.01 179.24 1juv n VAL 184 N -2.55 0.62 -3.77 3.13 0.24 -1.26 -4.99 118.33 109.75 1juv n VAL 184 Ca -0.02 -0.73 -0.14 0.00 -2.04 0.00 0.00 64.34 61.42 1juv n VAL 184 Cb 0.26 0.40 -0.14 0.00 -1.47 0.00 0.00 33.84 32.88 1juv n VAL 184 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1juv s THR 185 N -0.89 -0.04 0.15 3.34 2.01 -0.88 -1.26 115.64 118.07 1juv s THR 185 Ca 0.09 0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.30 1juv s THR 185 Cb 0.08 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.34 1juv s THR 185 CO 0.01 0.06 -0.14 0.42 -0.69 0.00 0.00 174.62 174.28 1juv s THR 186 N 0.96 1.44 -0.03 -0.82 -4.23 -0.54 -0.73 115.64 111.69 1juv s THR 186 Ca -0.07 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1juv s THR 186 Cb -0.10 -1.70 0.03 0.00 1.34 0.00 0.00 72.50 72.06 1juv s THR 186 CO -0.04 -0.48 0.01 -0.22 -0.54 0.00 0.00 174.62 173.34 1juv s LEU 187 N -2.73 1.18 -0.12 4.79 2.96 -0.49 -1.10 118.68 123.17 1juv s LEU 187 Ca 0.13 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 1juv s LEU 187 Cb -0.03 -0.17 0.01 0.00 0.50 0.00 0.00 46.19 46.50 1juv s LEU 187 CO 0.04 -0.10 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.91 1juv s THR 188 N 0.99 1.61 -0.22 3.68 2.01 -0.30 -0.25 115.64 123.16 1juv s THR 188 Ca -0.09 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.17 1juv s THR 188 Cb -0.13 -1.46 -0.00 0.00 0.01 0.00 0.00 72.50 70.91 1juv s THR 188 CO -0.02 0.46 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.61 1juv s GLU 189 N 0.99 3.31 0.02 4.92 2.12 0.13 -0.21 118.70 129.99 1juv s GLU 189 Ca -0.06 -0.66 0.09 0.00 0.36 0.00 0.00 54.97 54.70 1juv s GLU 189 Cb -0.15 -2.95 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 1juv s GLU 189 CO -0.02 -0.20 -0.26 0.45 -0.54 0.00 0.00 175.26 174.69 1juv s SER 190 N 1.45 3.15 -0.16 -1.70 0.15 0.06 0.05 113.70 116.71 1juv s SER 190 Ca 0.06 -0.53 -0.01 0.00 0.70 0.00 0.00 55.95 56.17 1juv s SER 190 Cb -0.14 -0.33 -0.01 0.00 -1.71 0.00 0.00 66.02 63.84 1juv s SER 190 CO -0.05 0.28 -0.13 -0.69 1.20 0.00 0.00 173.24 173.86 1juv s VAL 191 N -0.73 2.88 0.04 4.45 1.01 0.52 -1.21 120.40 127.35 1juv s VAL 191 Ca 0.11 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.47 1juv s VAL 191 Cb -0.10 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1juv s VAL 191 CO 0.01 0.50 -0.22 -0.31 0.00 0.00 0.00 175.10 175.09 1juv s TYR 192 N 0.79 2.46 0.00 5.22 1.51 0.36 -0.79 117.35 126.91 1juv s TYR 192 Ca -0.05 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 1juv s TYR 192 Cb -0.15 -1.44 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 1juv s TYR 192 CO 0.01 0.19 0.43 1.63 -1.11 0.00 0.00 175.55 176.70