#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoh s ASP 2 N 0.00 6.22 0.21 8.00 2.15 -1.26 -4.93 116.67 127.06 1aoh s ASP 2 Ca 0.00 -0.77 0.15 0.00 0.43 0.00 0.00 52.55 52.36 1aoh s ASP 2 Cb 0.00 -2.26 0.80 0.00 -0.30 0.00 0.00 42.92 41.16 1aoh s ASP 2 CO 0.00 -0.74 1.47 0.18 -0.17 0.00 0.00 175.17 175.91 1aoh n LEU 3 N 5.89 0.39 -1.06 -1.34 4.77 -1.26 -0.69 117.00 123.68 1aoh n LEU 3 Ca -0.07 0.67 0.11 0.00 -0.03 0.00 0.00 56.01 56.70 1aoh n LEU 3 Cb 0.46 -0.71 0.25 0.00 -2.33 0.00 0.00 43.42 41.10 1aoh n LEU 3 CO 0.50 -0.77 0.72 0.47 -1.33 0.00 0.00 177.39 176.98 1aoh n ASP 4 N -2.01 3.17 -4.66 -1.43 8.00 -1.26 -4.91 116.55 113.45 1aoh n ASP 4 Ca -0.01 -1.95 -0.25 0.00 0.71 0.00 0.00 54.79 53.29 1aoh n ASP 4 Cb 0.04 -0.25 -0.07 0.00 -0.02 0.00 0.00 41.12 40.82 1aoh n ASP 4 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aoh s ALA 5 N -1.50 3.19 -0.14 2.24 0.00 0.13 -4.66 121.76 121.03 1aoh s ALA 5 Ca 0.38 -1.48 -0.24 0.00 0.00 0.00 0.00 51.96 50.61 1aoh s ALA 5 Cb 0.22 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1aoh s ALA 5 CO 0.30 0.39 0.78 0.08 0.00 0.00 0.00 175.76 177.31 1aoh s VAL 6 N -1.97 4.94 -0.20 0.00 1.01 -0.35 -4.62 120.40 119.22 1aoh s VAL 6 Ca 0.29 1.55 -0.09 0.00 0.00 0.00 0.00 61.98 63.73 1aoh s VAL 6 Cb -0.08 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1aoh s VAL 6 CO 0.19 0.10 0.11 -0.13 0.00 0.00 0.00 175.10 175.37 1aoh s ARG 7 N 1.69 4.10 -0.15 2.72 0.52 -0.08 -1.16 118.95 126.58 1aoh s ARG 7 Ca 0.38 -0.27 -0.01 0.00 -0.52 0.00 0.00 55.73 55.30 1aoh s ARG 7 Cb -0.17 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 1aoh s ARG 7 CO 0.15 0.27 -0.11 0.42 0.02 0.00 0.00 175.30 176.05 1aoh s ILE 8 N 0.42 3.09 -0.05 1.52 1.09 0.54 -1.18 121.20 126.62 1aoh s ILE 8 Ca 0.06 -0.63 -0.03 0.00 -1.10 0.00 0.00 60.65 58.96 1aoh s ILE 8 Cb -0.12 -2.33 0.03 0.00 -1.06 0.00 0.00 42.46 38.98 1aoh s ILE 8 CO -0.01 0.50 0.11 -0.75 -0.10 0.00 0.00 174.94 174.70 1aoh s LYS 9 N 0.67 0.08 0.06 2.79 2.20 -0.36 -0.37 119.74 124.81 1aoh s LYS 9 Ca -0.06 0.28 -0.22 0.00 -0.36 0.00 0.00 55.97 55.61 1aoh s LYS 9 Cb -0.15 -0.13 -0.06 0.00 -1.51 0.00 0.00 37.83 35.98 1aoh s LYS 9 CO 0.02 -0.13 0.66 0.08 -0.36 0.00 0.00 175.35 175.63 1aoh s VAL 10 N 0.86 4.72 0.86 4.02 1.01 -1.21 -0.37 120.40 130.30 1aoh s VAL 10 Ca -0.07 1.41 -0.11 0.00 0.00 0.00 0.00 61.98 63.22 1aoh s VAL 10 Cb -0.09 -4.00 0.11 0.00 0.00 0.00 0.00 36.38 32.40 1aoh s VAL 10 CO -0.04 0.46 1.11 -1.81 0.00 0.00 0.00 175.10 174.82 1aoh s ASP 11 N -0.57 3.61 -0.29 3.32 1.11 -0.11 -3.71 116.67 120.02 1aoh s ASP 11 Ca 0.33 1.90 -0.00 0.00 0.18 0.00 0.00 52.55 54.96 1aoh s ASP 11 Cb -0.20 -2.48 0.05 0.00 1.07 0.00 0.00 42.92 41.36 1aoh s ASP 11 CO 0.21 -2.62 -0.03 -0.89 1.18 0.00 0.00 175.17 173.02 1aoh s THR 12 N -2.79 2.72 0.17 -1.27 2.01 -1.26 -1.31 115.64 113.91 1aoh s THR 12 Ca 0.64 -1.49 0.07 0.00 0.31 0.00 0.00 61.69 61.22 1aoh s THR 12 Cb -0.20 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 1aoh s THR 12 CO 0.57 -0.10 -0.00 0.68 -0.69 0.00 0.00 174.62 175.08 1aoh s VAL 13 N 1.20 3.71 0.04 3.82 -7.23 -0.61 -4.91 120.40 116.41 1aoh s VAL 13 Ca -0.06 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1aoh s VAL 13 Cb -0.20 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 1aoh s VAL 13 CO -0.02 -0.11 0.19 0.20 -0.31 0.00 0.00 175.10 175.05 1aoh s ASN 14 N -2.93 6.30 0.13 4.85 0.01 -1.26 -0.10 114.94 121.94 1aoh s ASN 14 Ca 0.27 0.27 -0.25 0.00 -0.71 0.00 0.00 52.86 52.45 1aoh s ASN 14 Cb -0.09 -1.94 0.07 0.00 0.41 0.00 0.00 41.25 39.70 1aoh s ASN 14 CO 0.18 0.20 0.86 0.00 -1.51 0.00 0.00 177.10 176.83 1aoh s ALA 15 N -1.44 -1.62 0.25 0.60 0.00 -0.73 -4.88 121.76 113.93 1aoh s ALA 15 Ca 0.32 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.68 1aoh s ALA 15 Cb -0.13 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 1aoh s ALA 15 CO 0.25 -0.92 0.12 0.15 0.00 0.00 0.00 175.76 175.35 1aoh s LYS 16 N -3.40 2.68 0.17 0.00 -0.14 -1.25 -0.76 119.74 117.04 1aoh s LYS 16 Ca 0.09 -1.17 -0.32 0.00 -1.36 0.00 0.00 55.97 53.21 1aoh s LYS 16 Cb -0.02 -2.42 -0.11 0.00 -1.68 0.00 0.00 37.83 33.60 1aoh s LYS 16 CO -0.02 0.39 1.74 -2.14 -0.76 0.00 0.00 175.35 174.57 1aoh s PRO 17 N -3.71 4.14 0.00 -1.68 0.02 -1.26 -1.95 135.00 130.55 1aoh s PRO 17 Ca 0.32 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.92 1aoh s PRO 17 Cb -0.07 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.18 1aoh s PRO 17 CO 0.23 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 1aoh n GLY 18 N 4.04 0.28 3.84 0.52 0.00 0.20 -4.80 105.19 109.27 1aoh n GLY 18 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1aoh n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aoh s ASP 19 N -2.12 6.87 -0.37 1.61 1.01 -0.82 -4.76 116.67 118.09 1aoh s ASP 19 Ca 0.00 1.35 -0.14 0.00 0.71 0.00 0.00 52.55 54.47 1aoh s ASP 19 Cb 0.00 -2.40 -0.00 0.00 1.01 0.00 0.00 42.92 41.53 1aoh s ASP 19 CO 0.00 -0.14 0.26 -0.89 0.21 0.00 0.00 175.17 174.61 1aoh s THR 20 N -1.86 5.27 0.13 -1.27 2.01 -1.26 -0.76 115.64 117.89 1aoh s THR 20 Ca 0.51 -0.41 0.07 0.00 0.31 0.00 0.00 61.69 62.18 1aoh s THR 20 Cb -0.12 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 1aoh s THR 20 CO 0.18 -0.14 -0.09 0.54 -0.69 0.00 0.00 174.62 174.42 1aoh s VAL 21 N 1.70 3.35 -0.19 3.82 0.11 0.17 -4.92 120.40 124.44 1aoh s VAL 21 Ca 0.06 -1.37 -0.06 0.00 -2.93 0.00 0.00 61.98 57.68 1aoh s VAL 21 Cb -0.18 -2.60 -0.03 0.00 -1.53 0.00 0.00 36.38 32.04 1aoh s VAL 21 CO 0.10 0.05 0.03 -0.13 -3.33 0.00 0.00 175.10 171.82 1aoh s ARG 22 N -2.39 3.76 -0.41 1.54 0.52 -1.26 -0.75 118.95 119.96 1aoh s ARG 22 Ca 0.22 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 55.02 1aoh s ARG 22 Cb -0.10 -3.14 0.11 0.00 0.52 0.00 0.00 34.95 32.34 1aoh s ARG 22 CO 0.14 0.11 0.14 0.42 0.02 0.00 0.00 175.30 176.14 1aoh s ILE 23 N 0.77 2.14 0.64 1.52 1.01 0.14 -4.95 121.20 122.46 1aoh s ILE 23 Ca 0.02 -2.59 -0.17 0.00 0.00 0.00 0.00 60.65 57.90 1aoh s ILE 23 Cb -0.14 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 1aoh s ILE 23 CO 0.02 -0.70 1.21 -2.84 0.00 0.00 0.00 174.94 172.63 1aoh s PRO 24 N 0.53 2.71 -0.25 2.79 0.02 -1.26 -1.11 135.00 138.43 1aoh s PRO 24 Ca 0.13 1.80 0.00 0.00 0.02 0.00 0.00 61.00 62.96 1aoh s PRO 24 Cb -0.22 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.45 1aoh s PRO 24 CO -0.06 -1.41 -0.09 0.08 -0.33 0.00 0.00 177.00 175.18 1aoh s VAL 25 N -1.72 2.49 0.08 3.83 1.01 0.73 -0.94 120.40 125.88 1aoh s VAL 25 Ca 0.76 -1.28 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1aoh s VAL 25 Cb -0.30 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1aoh s VAL 25 CO 0.37 0.14 0.01 -0.13 0.00 0.00 0.00 175.10 175.49 1aoh s ARG 26 N 1.23 2.61 -0.08 2.72 0.52 0.51 -0.53 118.95 125.93 1aoh s ARG 26 Ca -0.03 -0.80 0.02 0.00 -0.52 0.00 0.00 55.73 54.41 1aoh s ARG 26 Cb -0.18 -2.58 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 1aoh s ARG 26 CO -0.06 0.55 -0.13 -0.06 0.02 0.00 0.00 175.30 175.63 1aoh s PHE 27 N -1.30 2.76 0.05 -0.53 0.08 0.08 -1.22 117.98 117.91 1aoh s PHE 27 Ca 0.26 -0.27 0.04 0.00 0.12 0.00 0.00 56.93 57.07 1aoh s PHE 27 Cb -0.12 -1.70 -0.02 0.00 -0.57 0.00 0.00 43.02 40.60 1aoh s PHE 27 CO 0.18 0.09 -0.12 -1.12 -0.10 0.00 0.00 175.22 174.15 1aoh s SER 28 N -0.42 1.42 -0.56 1.36 0.01 -0.33 -1.67 113.70 113.51 1aoh s SER 28 Ca 0.05 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1aoh s SER 28 Cb -0.12 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1aoh s SER 28 CO 0.02 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1aoh n GLY 29 N 1.59 0.29 3.69 3.44 0.00 -1.26 -0.90 105.19 112.04 1aoh n GLY 29 Ca -0.20 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1aoh n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aoh s ILE 30 N -2.29 3.28 0.30 -0.61 -1.09 -1.26 -4.37 121.20 115.16 1aoh s ILE 30 Ca 0.00 0.73 -0.29 0.00 -2.23 0.00 0.00 60.65 58.86 1aoh s ILE 30 Cb 0.00 -3.47 -0.10 0.00 -1.58 0.00 0.00 42.46 37.31 1aoh s ILE 30 CO 0.00 0.00 1.37 -2.16 -1.23 0.00 0.00 174.94 172.92 1aoh s PRO 31 N 2.45 4.31 0.49 2.79 0.04 -1.26 -4.80 135.00 139.02 1aoh s PRO 31 Ca 0.70 2.26 0.25 0.00 0.04 0.00 0.00 61.00 64.25 1aoh s PRO 31 Cb -0.37 -3.09 1.31 0.00 0.04 0.00 0.00 34.50 32.40 1aoh s PRO 31 CO 0.30 -0.30 1.92 1.03 0.04 0.00 0.00 177.00 179.98 1aoh h SER 32 N 4.09 0.14 -0.56 6.66 0.87 -1.93 0.33 113.55 123.15 1aoh h SER 32 Ca -0.48 0.01 0.15 0.00 -1.23 0.00 0.00 61.79 60.25 1aoh h SER 32 Cb 1.22 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.14 1aoh h SER 32 CO 0.71 0.06 0.40 0.50 -0.53 0.00 0.00 176.83 177.97 1aoh h LYS 33 N 0.15 0.06 0.00 2.24 3.11 -1.92 -3.48 116.57 116.73 1aoh h LYS 33 Ca 0.38 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.22 1aoh h LYS 33 Cb 1.28 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.50 1aoh h LYS 33 CO -0.06 0.04 0.00 0.41 -2.81 0.00 0.00 179.45 177.03 1aoh n GLY 34 N -1.63 0.87 3.53 5.01 0.00 0.12 -4.32 105.19 108.76 1aoh n GLY 34 Ca 0.10 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 1aoh n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aoh s ILE 35 N -2.65 5.00 -0.08 -0.61 -1.09 0.24 -2.10 121.20 119.91 1aoh s ILE 35 Ca 0.00 -0.04 0.14 0.00 -2.23 0.00 0.00 60.65 58.52 1aoh s ILE 35 Cb 0.00 -3.42 -0.09 0.00 -1.58 0.00 0.00 42.46 37.37 1aoh s ILE 35 CO 0.00 0.21 1.13 0.00 -1.23 0.00 0.00 174.94 175.04 1aoh h ALA 36 N 8.36 0.61 -1.93 9.38 0.00 -0.81 -0.93 119.26 133.94 1aoh h ALA 36 Ca -0.35 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1aoh h ALA 36 Cb 1.18 0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.85 1aoh h ALA 36 CO 0.58 0.94 0.34 0.54 0.00 0.00 0.00 179.25 181.65 1aoh s ASN 37 N -6.24 -0.53 -0.14 0.00 2.20 -1.16 -1.04 114.94 108.02 1aoh s ASN 37 Ca 0.00 0.52 -0.29 0.00 -0.94 0.00 0.00 52.86 52.15 1aoh s ASN 37 Cb 0.08 0.45 0.08 0.00 -2.00 0.00 0.00 41.25 39.86 1aoh s ASN 37 CO 0.79 -0.54 0.75 0.00 -2.94 0.00 0.00 177.10 175.16 1aoh s ASP 39 N -0.64 -0.41 0.25 0.00 -4.77 -0.53 -0.37 116.67 110.20 1aoh s ASP 39 Ca -0.06 0.76 -0.19 0.00 -3.30 0.00 0.00 52.55 49.76 1aoh s ASP 39 Cb -0.02 0.72 0.02 0.00 -1.09 0.00 0.00 42.92 42.55 1aoh s ASP 39 CO 0.06 -0.15 0.64 0.72 0.70 0.00 0.00 175.17 177.13 1aoh s PHE 40 N 0.73 -0.11 -0.03 2.11 -0.12 -0.69 -0.67 117.98 119.20 1aoh s PHE 40 Ca -0.04 -0.30 0.03 0.00 -0.05 0.00 0.00 56.93 56.57 1aoh s PHE 40 Cb -0.05 0.57 0.00 0.00 -0.63 0.00 0.00 43.02 42.90 1aoh s PHE 40 CO -0.05 -1.13 -0.11 0.08 -0.05 0.00 0.00 175.22 173.96 1aoh s VAL 41 N -3.92 0.93 0.15 -2.49 1.01 0.48 -0.82 120.40 115.74 1aoh s VAL 41 Ca 0.12 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 61.75 1aoh s VAL 41 Cb -0.04 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1aoh s VAL 41 CO 0.05 0.28 -0.23 -0.31 0.00 0.00 0.00 175.10 174.89 1aoh s TYR 42 N 0.09 2.06 0.32 5.22 1.51 -0.62 -0.16 117.35 125.78 1aoh s TYR 42 Ca -0.02 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.71 1aoh s TYR 42 Cb -0.08 -1.08 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 1aoh s TYR 42 CO 0.01 0.34 0.23 -1.54 -1.11 0.00 0.00 175.55 173.48 1aoh s SER 43 N -2.31 5.14 0.34 2.29 1.04 0.10 -0.42 113.70 119.88 1aoh s SER 43 Ca 0.14 -0.54 -0.11 0.00 0.48 0.00 0.00 55.95 55.92 1aoh s SER 43 Cb -0.09 -0.96 0.03 0.00 0.10 0.00 0.00 66.02 65.10 1aoh s SER 43 CO 0.07 -0.28 0.63 -0.72 0.98 0.00 0.00 173.24 173.91 1aoh s TYR 44 N -2.31 0.44 -0.42 5.02 1.13 -0.92 -1.61 117.35 118.68 1aoh s TYR 44 Ca 0.39 -0.90 -0.06 0.00 -1.41 0.00 0.00 57.07 55.09 1aoh s TYR 44 Cb -0.05 0.42 0.10 0.00 -1.10 0.00 0.00 41.96 41.33 1aoh s TYR 44 CO 0.25 -1.31 0.24 0.34 -2.51 0.00 0.00 175.55 172.57 1aoh s ASP 45 N -3.10 5.46 0.00 -0.18 2.15 -1.26 -4.76 116.67 114.98 1aoh s ASP 45 Ca 0.21 -1.80 0.19 0.00 0.43 0.00 0.00 52.55 51.57 1aoh s ASP 45 Cb -0.03 -1.91 1.01 0.00 -0.30 0.00 0.00 42.92 41.68 1aoh s ASP 45 CO 0.14 -0.56 1.55 -0.81 -0.17 0.00 0.00 175.17 175.31 1aoh n PRO 46 N 4.77 0.38 0.05 4.34 -0.04 -1.26 -0.64 135.00 142.60 1aoh n PRO 46 Ca -0.07 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 1aoh n PRO 46 Cb 0.42 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.62 1aoh n PRO 46 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1aoh n ASN 47 N -1.18 0.62 -0.03 3.54 3.02 -1.26 -4.27 115.26 115.70 1aoh n ASN 47 Ca 0.11 0.13 -0.05 0.00 -0.03 0.00 0.00 54.58 54.73 1aoh n ASN 47 Cb 0.12 0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 1aoh n ASN 47 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1aoh n VAL 48 N -1.97 0.38 -4.06 2.41 0.31 -0.57 -4.84 118.33 109.98 1aoh n VAL 48 Ca 0.04 -0.13 -0.35 0.00 -0.01 0.00 0.00 64.34 63.89 1aoh n VAL 48 Cb 0.41 -0.94 -0.14 0.00 -0.91 0.00 0.00 33.84 32.27 1aoh n VAL 48 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1aoh s LEU 49 N -5.62 2.90 -0.43 7.52 1.43 0.19 -0.98 118.68 123.69 1aoh s LEU 49 Ca -0.09 -0.36 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 1aoh s LEU 49 Cb 0.03 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.55 1aoh s LEU 49 CO 0.15 0.02 0.52 -1.61 0.23 0.00 0.00 176.35 175.65 1aoh s GLU 50 N 1.23 3.16 -0.09 1.70 2.02 0.23 -4.18 118.70 122.77 1aoh s GLU 50 Ca 0.03 -0.63 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 1aoh s GLU 50 Cb -0.14 -3.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.08 1aoh s GLU 50 CO -0.02 -0.92 1.55 0.42 0.02 0.00 0.00 175.26 176.31 1aoh s ILE 51 N 2.39 3.77 -0.18 -1.63 -1.09 -1.26 -0.95 121.20 122.25 1aoh s ILE 51 Ca 0.16 0.93 -0.15 0.00 -2.23 0.00 0.00 60.65 59.36 1aoh s ILE 51 Cb -0.16 -3.60 -0.21 0.00 -1.58 0.00 0.00 42.46 36.90 1aoh s ILE 51 CO 0.16 -0.09 0.21 -0.38 -1.23 0.00 0.00 174.94 173.61 1aoh n ILE 52 N 5.46 1.62 -3.50 2.92 5.41 0.63 -4.96 119.36 126.95 1aoh n ILE 52 Ca 0.16 -0.30 -0.11 0.00 1.00 0.00 0.00 62.75 63.51 1aoh n ILE 52 Cb 0.43 -1.90 -0.03 0.00 -0.71 0.00 0.00 39.64 37.43 1aoh n ILE 52 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1aoh s GLU 53 N -2.45 0.92 -0.22 0.38 2.02 -1.03 -5.02 118.70 113.30 1aoh s GLU 53 Ca -0.28 -0.18 0.01 0.00 0.02 0.00 0.00 54.97 54.54 1aoh s GLU 53 Cb 0.07 0.42 0.05 0.00 0.10 0.00 0.00 34.13 34.78 1aoh s GLU 53 CO 0.65 -0.37 -0.07 0.42 0.02 0.00 0.00 175.26 175.90 1aoh s ILE 54 N -2.64 1.56 0.14 -1.63 1.01 -1.26 -0.65 121.20 117.74 1aoh s ILE 54 Ca 0.01 -1.11 -0.20 0.00 0.00 0.00 0.00 60.65 59.35 1aoh s ILE 54 Cb -0.01 -1.75 -0.07 0.00 0.01 0.00 0.00 42.46 40.64 1aoh s ILE 54 CO -0.05 0.02 0.65 -1.61 0.00 0.00 0.00 174.94 173.94 1aoh s GLU 55 N 1.40 4.25 0.35 2.79 2.02 -0.09 -4.90 118.70 124.52 1aoh s GLU 55 Ca -0.04 0.81 -0.28 0.00 0.02 0.00 0.00 54.97 55.48 1aoh s GLU 55 Cb -0.18 -3.09 -0.10 0.00 0.10 0.00 0.00 34.13 30.86 1aoh s GLU 55 CO -0.07 0.53 1.35 -2.14 0.02 0.00 0.00 175.26 174.95 1aoh s PRO 56 N -1.50 4.25 0.84 0.39 0.02 -1.26 -0.92 135.00 136.82 1aoh s PRO 56 Ca 0.36 2.29 -0.11 0.00 0.02 0.00 0.00 61.00 63.56 1aoh s PRO 56 Cb -0.19 -3.01 0.13 0.00 0.02 0.00 0.00 34.50 31.46 1aoh s PRO 56 CO 0.21 -0.31 1.17 0.20 -0.33 0.00 0.00 177.00 177.94 1aoh s GLY 57 N -0.44 1.72 0.59 0.52 0.00 0.46 -4.70 107.32 105.47 1aoh s GLY 57 Ca 0.51 -1.13 0.29 0.00 0.00 0.00 0.00 44.72 44.40 1aoh s GLY 57 CO 0.55 -0.53 2.18 1.05 0.00 0.00 0.00 173.10 176.35 1aoh h GLU 58 N -1.11 0.00 0.00 2.90 4.11 -1.68 -1.03 114.58 117.77 1aoh h GLU 58 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1aoh h GLU 58 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1aoh h GLU 58 CO 0.49 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 179.50 1aoh h LEU 59 N 0.00 0.00 -8.47 3.06 3.38 -1.63 -3.40 115.31 108.25 1aoh h LEU 59 Ca 0.04 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.40 1aoh h LEU 59 Cb 0.25 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.87 1aoh h LEU 59 CO -0.00 0.00 0.55 -0.63 0.09 0.00 0.00 178.44 178.45 1aoh s ILE 60 N -3.49 4.40 -0.70 1.22 -1.09 -0.39 -4.67 121.20 116.48 1aoh s ILE 60 Ca 0.02 0.20 0.23 0.00 -2.23 0.00 0.00 60.65 58.87 1aoh s ILE 60 Cb 0.09 -4.54 -0.13 0.00 -1.58 0.00 0.00 42.46 36.30 1aoh s ILE 60 CO 0.43 -1.13 1.03 0.52 -1.23 0.00 0.00 174.94 174.56 1aoh n VAL 61 N 6.15 0.12 -1.67 2.92 0.31 -1.26 -4.90 118.33 119.99 1aoh n VAL 61 Ca 0.01 -0.19 -0.46 0.00 -0.01 0.00 0.00 64.34 63.69 1aoh n VAL 61 Cb 0.47 0.33 -0.04 0.00 -0.91 0.00 0.00 33.84 33.69 1aoh n VAL 61 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1aoh n ASP 62 N -1.85 3.16 0.08 4.52 -0.08 -1.26 -4.84 116.55 116.28 1aoh n ASP 62 Ca 0.02 1.07 0.07 0.00 -1.51 0.00 0.00 54.79 54.45 1aoh n ASP 62 Cb 0.41 -1.43 0.35 0.00 2.34 0.00 0.00 41.12 42.80 1aoh n ASP 62 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1aoh n PRO 63 N 3.76 0.09 -3.69 -0.67 -0.04 -1.26 -2.20 135.00 130.98 1aoh n PRO 63 Ca 0.17 0.49 -0.27 0.00 -0.04 0.00 0.00 63.50 63.85 1aoh n PRO 63 Cb 0.29 -1.73 -0.11 0.00 -0.04 0.00 0.00 33.50 31.91 1aoh n PRO 63 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1aoh n ASN 64 N -1.91 2.72 -0.35 3.54 3.02 -1.26 -4.99 115.26 116.03 1aoh n ASN 64 Ca 0.00 -3.16 0.24 0.00 -0.03 0.00 0.00 54.58 51.63 1aoh n ASN 64 Cb 0.08 -0.71 0.49 0.00 -0.61 0.00 0.00 39.78 39.04 1aoh n ASN 64 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1aoh h PRO 65 N 5.03 0.36 0.00 3.52 0.11 -1.81 -0.44 132.00 138.77 1aoh h PRO 65 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1aoh h PRO 65 Cb 0.75 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1aoh h PRO 65 CO 0.70 0.24 0.00 1.79 -0.21 0.00 0.00 178.00 180.52 1aoh h THR 66 N 0.37 0.00 0.00 -1.15 1.35 -1.90 0.21 112.91 111.80 1aoh h THR 66 Ca 0.68 -0.28 -0.04 0.00 -0.55 0.00 0.00 66.41 66.22 1aoh h THR 66 Cb 1.65 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 1aoh h THR 66 CO -0.44 0.00 -0.19 0.11 -0.25 0.00 0.00 175.52 174.75 1aoh h LYS 67 N 0.00 0.00 0.00 4.72 1.57 -1.47 -3.33 116.57 118.05 1aoh h LYS 67 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1aoh h LYS 67 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1aoh h LYS 67 CO 0.00 0.19 -1.82 0.43 -0.57 0.00 0.00 179.45 177.68 1aoh n SER 68 N -3.15 1.39 -4.03 0.86 7.64 -0.64 -4.46 113.62 111.22 1aoh n SER 68 Ca 0.03 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.71 1aoh n SER 68 Cb 0.60 1.44 -0.15 0.00 -1.01 0.00 0.00 64.21 65.09 1aoh n SER 68 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1aoh s PHE 69 N -2.85 0.98 0.06 1.43 2.19 -0.03 -0.99 117.98 118.77 1aoh s PHE 69 Ca -0.06 -0.22 -0.17 0.00 0.33 0.00 0.00 56.93 56.81 1aoh s PHE 69 Cb 0.08 -0.66 0.04 0.00 -1.31 0.00 0.00 43.02 41.16 1aoh s PHE 69 CO 0.64 -0.06 0.41 0.34 1.83 0.00 0.00 175.22 178.37 1aoh s ASP 70 N -0.03 -0.27 0.04 6.13 2.15 -0.29 -4.29 116.67 120.11 1aoh s ASP 70 Ca 0.00 -0.09 -0.01 0.00 0.43 0.00 0.00 52.55 52.89 1aoh s ASP 70 Cb -0.06 0.43 -0.03 0.00 -0.30 0.00 0.00 42.92 42.96 1aoh s ASP 70 CO 0.00 -0.71 -0.01 0.42 -0.17 0.00 0.00 175.17 174.70 1aoh s THR 71 N -2.81 0.17 -0.06 1.71 -4.23 -1.26 -0.78 115.64 108.38 1aoh s THR 71 Ca -0.03 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1aoh s THR 71 Cb -0.00 -1.02 0.02 0.00 1.34 0.00 0.00 72.50 72.84 1aoh s THR 71 CO -0.05 -0.78 -0.06 0.00 -0.54 0.00 0.00 174.62 173.20 1aoh s ALA 72 N -2.94 0.90 -0.15 3.99 0.00 0.22 -4.98 121.76 118.81 1aoh s ALA 72 Ca -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 1aoh s ALA 72 Cb 0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1aoh s ALA 72 CO -0.06 -0.14 -0.04 0.08 0.00 0.00 0.00 175.76 175.59 1aoh s VAL 73 N 1.20 3.86 -0.46 0.00 1.01 -1.26 -0.36 120.40 124.39 1aoh s VAL 73 Ca -0.06 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1aoh s VAL 73 Cb -0.14 -2.68 0.13 0.00 0.00 0.00 0.00 36.38 33.69 1aoh s VAL 73 CO -0.02 0.50 0.23 -0.31 0.00 0.00 0.00 175.10 175.51 1aoh s TYR 74 N 0.28 2.57 0.29 5.22 2.02 0.25 -5.00 117.35 122.98 1aoh s TYR 74 Ca -0.03 -2.75 -0.02 0.00 -0.37 0.00 0.00 57.07 53.90 1aoh s TYR 74 Cb -0.14 -2.33 0.43 0.00 -0.40 0.00 0.00 41.96 39.52 1aoh s TYR 74 CO 0.03 -0.78 1.96 -1.35 -1.57 0.00 0.00 175.55 173.84 1aoh h PRO 75 N 6.72 1.11 -0.37 -1.71 0.11 -1.95 0.52 132.00 136.43 1aoh h PRO 75 Ca -0.05 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 1aoh h PRO 75 Cb 0.92 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 1aoh h PRO 75 CO 0.57 0.73 0.13 -0.44 -0.21 0.00 0.00 178.00 178.79 1aoh h ASP 76 N 1.14 0.52 0.53 -2.05 3.32 -1.95 -1.43 116.42 116.50 1aoh h ASP 76 Ca 0.33 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1aoh h ASP 76 Cb -0.08 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1aoh h ASP 76 CO -0.08 0.56 -0.13 0.54 -1.72 0.00 0.00 179.24 178.41 1aoh n ARG 77 N -4.66 0.42 -3.46 3.56 3.00 -1.08 -4.94 116.66 109.51 1aoh n ARG 77 Ca -0.01 -0.13 -0.19 0.00 -0.01 0.00 0.00 57.85 57.51 1aoh n ARG 77 Cb 0.16 -1.50 0.08 0.00 0.00 0.00 0.00 32.46 31.20 1aoh n ARG 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1aoh n LYS 78 N -1.18 -6.98 -4.14 5.56 5.02 0.17 -4.98 118.16 111.63 1aoh n LYS 78 Ca 0.12 0.82 -0.12 0.00 -2.02 0.00 0.00 58.31 57.11 1aoh n LYS 78 Cb 0.29 -5.80 -0.11 0.00 -0.02 0.00 0.00 35.03 29.40 1aoh n LYS 78 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1aoh s MET 79 N -5.69 0.76 -0.08 1.97 -1.94 -0.44 -2.15 119.30 111.72 1aoh s MET 79 Ca 0.22 -1.14 0.01 0.00 -1.71 0.00 0.00 55.69 53.07 1aoh s MET 79 Cb -0.10 -0.30 0.02 0.00 2.01 0.00 0.00 34.83 36.46 1aoh s MET 79 CO 0.71 0.02 -0.09 0.42 -0.01 0.00 0.00 175.02 176.07 1aoh s ILE 80 N -2.75 1.02 -0.17 2.53 1.01 0.44 -0.58 121.20 122.70 1aoh s ILE 80 Ca 0.05 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 1aoh s ILE 80 Cb -0.01 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.46 1aoh s ILE 80 CO -0.02 0.34 -0.04 -0.69 0.00 0.00 0.00 174.94 174.53 1aoh s VAL 81 N 1.10 3.76 -0.16 2.92 1.01 0.51 -1.59 120.40 127.95 1aoh s VAL 81 Ca -0.07 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1aoh s VAL 81 Cb -0.14 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1aoh s VAL 81 CO -0.01 0.48 -0.01 -0.36 0.00 0.00 0.00 175.10 175.20 1aoh s PHE 82 N 0.61 3.10 -0.08 5.22 0.40 -0.00 -0.61 117.98 126.61 1aoh s PHE 82 Ca -0.03 -0.18 -0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1aoh s PHE 82 Cb -0.14 -2.00 0.03 0.00 0.51 0.00 0.00 43.02 41.41 1aoh s PHE 82 CO 0.02 0.02 -0.03 -0.51 0.70 0.00 0.00 175.22 175.43 1aoh s LEU 83 N 0.37 0.87 -0.04 -0.37 1.02 0.04 -1.70 118.68 118.87 1aoh s LEU 83 Ca -0.02 -0.17 0.03 0.00 0.02 0.00 0.00 54.13 54.00 1aoh s LEU 83 Cb -0.14 -0.59 0.00 0.00 0.02 0.00 0.00 46.19 45.48 1aoh s LEU 83 CO 0.02 -0.15 -0.13 0.12 0.02 0.00 0.00 176.35 176.23 1aoh s PHE 84 N 1.79 1.30 -0.28 0.29 5.36 0.50 -1.14 117.98 125.79 1aoh s PHE 84 Ca 0.04 -0.36 -0.01 0.00 -0.96 0.00 0.00 56.93 55.64 1aoh s PHE 84 Cb -0.13 -0.90 0.18 0.00 -0.34 0.00 0.00 43.02 41.83 1aoh s PHE 84 CO -0.06 -0.14 0.54 0.00 -1.46 0.00 0.00 175.22 174.10 1aoh s ALA 85 N 0.16 -1.94 -0.11 11.12 0.00 -0.16 -1.22 121.76 129.61 1aoh s ALA 85 Ca -0.04 1.49 -0.35 0.00 0.00 0.00 0.00 51.96 53.06 1aoh s ALA 85 Cb -0.10 -2.08 -0.12 0.00 0.00 0.00 0.00 23.12 20.82 1aoh s ALA 85 CO 0.01 -1.37 1.87 -0.85 0.00 0.00 0.00 175.76 175.42 1aoh n GLU 86 N 5.41 2.08 0.25 0.00 -0.00 -0.21 -4.37 120.64 123.79 1aoh n GLU 86 Ca -0.01 0.76 0.17 0.00 -0.00 0.00 0.00 57.16 58.08 1aoh n GLU 86 Cb 0.51 -2.59 0.73 0.00 -0.00 0.00 0.00 31.44 30.09 1aoh n GLU 86 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1aoh h ASP 87 N 9.03 0.00 0.00 -1.84 3.58 -1.89 -3.27 116.42 122.03 1aoh h ASP 87 Ca -0.48 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 56.88 1aoh h ASP 87 Cb 1.28 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 1aoh h ASP 87 CO 0.95 0.00 -0.25 0.77 -2.88 0.00 0.00 179.24 177.83 1aoh h SER 88 N 0.00 0.40 0.00 2.28 4.64 -1.95 -3.47 113.55 115.46 1aoh h SER 88 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1aoh h SER 88 Cb 0.35 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1aoh h SER 88 CO 0.00 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 1aoh n GLY 89 N -0.44 2.47 0.61 -0.77 0.00 -1.24 -4.83 105.19 101.00 1aoh n GLY 89 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1aoh n GLY 89 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aoh n THR 90 N -2.00 0.27 -0.30 2.61 -2.24 -1.26 -4.96 114.28 106.40 1aoh n THR 90 Ca 0.00 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1aoh n THR 90 Cb 0.00 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 1aoh n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aoh n GLY 91 N 0.76 0.89 0.37 3.38 0.00 -1.26 -4.96 105.19 104.37 1aoh n GLY 91 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1aoh n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aoh h ALA 92 N 0.00 1.77 -0.49 4.61 0.00 -1.93 -1.79 119.26 121.42 1aoh h ALA 92 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1aoh h ALA 92 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1aoh h ALA 92 CO 0.00 -0.06 0.03 0.66 0.00 0.00 0.00 179.25 179.89 1aoh n TYR 93 N -4.63 1.76 -0.78 0.00 4.01 -1.26 -5.00 117.16 111.26 1aoh n TYR 93 Ca 0.20 -0.86 -0.32 0.00 -0.16 0.00 0.00 57.90 56.76 1aoh n TYR 93 Cb 0.51 -0.48 0.16 0.00 -0.31 0.00 0.00 39.34 39.22 1aoh n TYR 93 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aoh n ALA 94 N 0.13 -0.74 -2.69 -0.72 0.00 -0.68 -4.65 120.51 111.16 1aoh n ALA 94 Ca 0.28 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 1aoh n ALA 94 Cb 1.13 -2.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 1aoh n ALA 94 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1aoh s ILE 95 N -2.50 4.91 0.00 0.00 1.01 -0.35 -4.82 121.20 119.45 1aoh s ILE 95 Ca 0.68 1.68 0.00 0.00 0.00 0.00 0.00 60.65 63.01 1aoh s ILE 95 Cb -0.24 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1aoh s ILE 95 CO 0.57 0.10 0.65 0.35 0.00 0.00 0.00 174.94 176.60 1aoh n THR 96 N 4.38 0.41 -4.08 2.92 -2.24 -1.26 -0.59 114.28 113.81 1aoh n THR 96 Ca 0.04 -0.57 -0.10 0.00 -2.27 0.00 0.00 64.05 61.14 1aoh n THR 96 Cb 0.50 0.91 -0.08 0.00 -2.10 0.00 0.00 70.33 69.56 1aoh n THR 96 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1aoh s GLU 97 N -0.41 1.29 0.25 -0.78 -1.05 -1.26 -4.69 118.70 112.05 1aoh s GLU 97 Ca 0.00 -1.40 -0.26 0.00 -0.15 0.00 0.00 54.97 53.16 1aoh s GLU 97 Cb 0.00 0.36 -0.09 0.00 -0.44 0.00 0.00 34.13 33.96 1aoh s GLU 97 CO 0.00 -0.47 0.89 -0.51 0.95 0.00 0.00 175.26 176.11 1aoh s ASP 98 N -3.07 7.42 0.00 0.83 1.11 -1.26 -4.80 116.67 116.90 1aoh s ASP 98 Ca 0.28 1.79 0.00 0.00 0.18 0.00 0.00 52.55 54.80 1aoh s ASP 98 Cb 0.04 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.47 1aoh s ASP 98 CO 0.08 0.07 0.00 0.61 1.18 0.00 0.00 175.17 177.11 1aoh n GLY 99 N 1.08 -0.33 3.61 0.21 0.00 -0.67 -5.01 105.19 104.08 1aoh n GLY 99 Ca -0.01 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 1aoh n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aoh s VAL 100 N -3.11 4.53 0.04 1.61 1.01 -1.26 -0.74 120.40 122.48 1aoh s VAL 100 Ca 0.00 1.30 -0.16 0.00 0.00 0.00 0.00 61.98 63.12 1aoh s VAL 100 Cb 0.00 -4.38 -0.26 0.00 0.00 0.00 0.00 36.38 31.74 1aoh s VAL 100 CO 0.00 -0.57 1.11 0.15 0.00 0.00 0.00 175.10 175.79 1aoh h PHE 101 N 8.47 0.92 -2.87 5.22 3.57 -1.15 -1.76 116.94 129.33 1aoh h PHE 101 Ca -0.23 -0.54 0.05 0.00 3.53 0.00 0.00 57.97 60.79 1aoh h PHE 101 Cb 1.07 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.64 1aoh h PHE 101 CO 0.85 1.38 0.27 0.00 -2.23 0.00 0.00 178.31 178.58 1aoh s ALA 102 N -3.09 -1.44 -0.17 2.41 0.00 -1.12 -0.40 121.76 117.95 1aoh s ALA 102 Ca -0.11 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 1aoh s ALA 102 Cb 0.05 0.81 0.05 0.00 0.00 0.00 0.00 23.12 24.03 1aoh s ALA 102 CO 0.90 -0.93 -0.03 0.99 0.00 0.00 0.00 175.76 176.69 1aoh s THR 103 N -3.73 0.98 -0.03 0.00 2.01 -0.09 -0.20 115.64 114.58 1aoh s THR 103 Ca 0.07 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 1aoh s THR 103 Cb -0.03 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 1aoh s THR 103 CO -0.01 0.06 0.99 -0.63 -0.69 0.00 0.00 174.62 174.34 1aoh s ILE 104 N 1.68 4.83 -0.21 1.82 1.01 -0.27 -0.91 121.20 129.16 1aoh s ILE 104 Ca 0.00 2.04 -0.04 0.00 0.00 0.00 0.00 60.65 62.66 1aoh s ILE 104 Cb -0.16 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 37.99 1aoh s ILE 104 CO -0.07 0.12 -0.04 -0.69 0.00 0.00 0.00 174.94 174.26 1aoh s VAL 105 N 1.27 3.52 0.03 2.92 1.01 0.18 0.23 120.40 129.55 1aoh s VAL 105 Ca 0.51 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1aoh s VAL 105 Cb -0.20 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1aoh s VAL 105 CO 0.25 0.43 -0.04 0.00 0.00 0.00 0.00 175.10 175.74 1aoh s ALA 106 N 1.29 0.23 -0.20 5.51 0.00 0.07 -0.27 121.76 128.39 1aoh s ALA 106 Ca 0.03 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.28 1aoh s ALA 106 Cb -0.14 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1aoh s ALA 106 CO -0.01 -0.13 0.08 0.21 0.00 0.00 0.00 175.76 175.90 1aoh s LYS 107 N -1.54 3.91 -0.34 0.00 2.20 -0.12 0.41 119.74 124.27 1aoh s LYS 107 Ca -0.14 -0.37 -0.29 0.00 -0.36 0.00 0.00 55.97 54.81 1aoh s LYS 107 Cb -0.10 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 32.96 1aoh s LYS 107 CO -0.01 0.15 1.17 0.08 -0.36 0.00 0.00 175.35 176.38 1aoh s VAL 108 N 0.73 4.32 0.25 4.02 1.01 0.06 -0.60 120.40 130.18 1aoh s VAL 108 Ca 0.04 1.48 -0.31 0.00 0.00 0.00 0.00 61.98 63.19 1aoh s VAL 108 Cb -0.13 -4.34 -0.14 0.00 0.00 0.00 0.00 36.38 31.76 1aoh s VAL 108 CO 0.02 -0.56 1.26 0.29 0.00 0.00 0.00 175.10 176.11 1aoh n LYS 109 N 7.20 1.71 -0.36 2.72 5.02 -0.15 0.60 118.16 134.91 1aoh n LYS 109 Ca 0.13 0.60 0.26 0.00 -2.02 0.00 0.00 58.31 57.29 1aoh n LYS 109 Cb 0.47 -2.16 0.53 0.00 -0.02 0.00 0.00 35.03 33.85 1aoh n LYS 109 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1aoh h SER 110 N 3.38 0.42 -0.42 4.39 0.02 -1.91 -0.07 113.55 119.35 1aoh h SER 110 Ca -0.44 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1aoh h SER 110 Cb 1.31 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1aoh h SER 110 CO 0.70 -0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.99 1aoh n GLY 111 N -1.45 2.17 3.76 -3.77 0.00 -1.26 -4.69 105.19 99.94 1aoh n GLY 111 Ca 0.29 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 1aoh n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aoh s ALA 112 N -1.94 3.60 0.64 4.61 0.00 -0.04 -5.01 121.76 123.62 1aoh s ALA 112 Ca 0.36 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.57 1aoh s ALA 112 Cb 0.25 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1aoh s ALA 112 CO 0.14 -0.79 1.05 -1.25 0.00 0.00 0.00 175.76 174.90 1aoh s PRO 113 N -0.98 3.24 0.77 0.00 0.04 -1.26 -4.86 135.00 131.96 1aoh s PRO 113 Ca 0.56 0.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 1aoh s PRO 113 Cb -0.43 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.14 1aoh s PRO 113 CO 0.49 -0.86 1.08 0.54 0.04 0.00 0.00 177.00 178.30 1aoh s ASN 114 N -3.56 4.59 0.00 6.66 4.22 -1.26 -4.78 114.94 120.80 1aoh s ASN 114 Ca 0.59 1.68 0.00 0.00 -2.14 0.00 0.00 52.86 52.99 1aoh s ASN 114 Cb -0.13 -2.43 0.00 0.00 1.28 0.00 0.00 41.25 39.97 1aoh s ASN 114 CO 0.48 -1.96 0.00 0.61 -2.04 0.00 0.00 177.10 174.19 1aoh n GLY 115 N -1.48 1.40 3.66 0.45 0.00 0.58 -4.89 105.19 104.92 1aoh n GLY 115 Ca 0.08 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 1aoh n GLY 115 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1aoh s LEU 116 N 0.00 4.15 -0.43 0.99 2.96 -1.26 0.04 118.68 125.13 1aoh s LEU 116 Ca 0.00 1.52 -0.16 0.00 -0.22 0.00 0.00 54.13 55.27 1aoh s LEU 116 Cb 0.00 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.18 1aoh s LEU 116 CO 0.00 -0.68 0.38 -0.55 -1.32 0.00 0.00 176.35 174.18 1aoh s SER 117 N 1.48 6.15 0.10 3.68 0.15 -0.30 -4.95 113.70 120.01 1aoh s SER 117 Ca 0.49 -0.87 -0.30 0.00 0.70 0.00 0.00 55.95 55.97 1aoh s SER 117 Cb -0.18 -2.19 -0.06 0.00 -1.71 0.00 0.00 66.02 61.88 1aoh s SER 117 CO 0.11 -0.55 1.00 -0.69 1.20 0.00 0.00 173.24 174.31 1aoh s VAL 118 N 1.89 4.41 -0.39 4.45 1.01 -1.26 -0.95 120.40 129.57 1aoh s VAL 118 Ca 0.08 1.95 -0.07 0.00 0.00 0.00 0.00 61.98 63.94 1aoh s VAL 118 Cb -0.19 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.02 1aoh s VAL 118 CO 0.11 0.27 0.19 -0.63 0.00 0.00 0.00 175.10 175.04 1aoh s ILE 119 N 0.18 3.84 -0.07 2.22 1.01 -0.35 -4.22 121.20 123.82 1aoh s ILE 119 Ca 0.49 -1.46 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1aoh s ILE 119 Cb -0.24 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 1aoh s ILE 119 CO 0.30 -0.43 -0.08 -0.75 0.00 0.00 0.00 174.94 173.98 1aoh s LYS 120 N 1.35 2.72 0.29 2.79 2.20 -0.64 -1.50 119.74 126.96 1aoh s LYS 120 Ca 0.02 -0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 54.75 1aoh s LYS 120 Cb -0.22 -2.55 -0.11 0.00 -1.51 0.00 0.00 37.83 33.44 1aoh s LYS 120 CO 0.01 0.65 1.59 0.12 -0.36 0.00 0.00 175.35 177.36 1aoh s PHE 121 N -0.77 2.75 -0.03 4.03 5.36 -1.26 0.01 117.98 128.07 1aoh s PHE 121 Ca 0.12 0.79 -0.08 0.00 -0.96 0.00 0.00 56.93 56.80 1aoh s PHE 121 Cb -0.11 -4.07 -0.03 0.00 -0.34 0.00 0.00 43.02 38.47 1aoh s PHE 121 CO 0.01 -3.58 -0.15 0.28 -1.46 0.00 0.00 175.22 170.32 1aoh n VAL 122 N 2.15 1.30 -3.53 3.12 0.31 0.78 -4.81 118.33 117.65 1aoh n VAL 122 Ca 0.08 0.26 -0.15 0.00 -0.01 0.00 0.00 64.34 64.51 1aoh n VAL 122 Cb 0.37 -1.90 -0.05 0.00 -0.91 0.00 0.00 33.84 31.35 1aoh n VAL 122 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1aoh s GLU 123 N -2.38 0.94 -0.06 5.55 2.12 -1.04 -4.99 118.70 118.84 1aoh s GLU 123 Ca -0.13 0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.42 1aoh s GLU 123 Cb 0.02 0.44 -0.02 0.00 0.26 0.00 0.00 34.13 34.83 1aoh s GLU 123 CO 0.19 -0.30 -0.16 0.54 -0.54 0.00 0.00 175.26 174.99 1aoh s VAL 124 N -1.33 2.91 0.00 3.70 0.11 -1.26 -0.38 120.40 124.14 1aoh s VAL 124 Ca -0.08 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 1aoh s VAL 124 Cb -0.00 -2.14 0.00 0.00 -1.53 0.00 0.00 36.38 32.71 1aoh s VAL 124 CO 0.06 0.58 0.00 0.61 -3.33 0.00 0.00 175.10 173.02 1aoh n GLY 125 N 2.51 0.78 3.96 6.54 0.00 0.15 -4.98 105.19 114.15 1aoh n GLY 125 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1aoh n GLY 125 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aoh s GLY 126 N 0.00 1.33 -0.48 -0.02 0.00 -1.25 -4.92 107.32 101.98 1aoh s GLY 126 Ca 0.00 -1.31 0.04 0.00 0.00 0.00 0.00 44.72 43.45 1aoh s GLY 126 CO 0.00 -1.30 0.80 0.33 0.00 0.00 0.00 173.10 172.93 1aoh n PHE 127 N -1.44 -3.23 -4.33 1.90 -0.00 -1.25 -1.45 117.46 107.65 1aoh n PHE 127 Ca -0.07 -1.22 -0.30 0.00 -0.00 0.00 0.00 57.45 55.85 1aoh n PHE 127 Cb 0.57 1.41 -0.10 0.00 -0.00 0.00 0.00 39.48 41.36 1aoh n PHE 127 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1aoh s ALA 128 N 0.89 2.95 0.98 3.13 0.00 -0.02 -0.14 121.76 129.56 1aoh s ALA 128 Ca 0.29 -1.17 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 1aoh s ALA 128 Cb 0.03 -0.95 0.17 0.00 0.00 0.00 0.00 23.12 22.37 1aoh s ALA 128 CO -0.06 0.63 1.02 0.27 0.00 0.00 0.00 175.76 177.62 1aoh n ASN 129 N 1.02 0.13 0.22 0.00 0.23 -0.48 -0.34 115.26 116.03 1aoh n ASN 129 Ca -0.14 -1.40 0.15 0.00 -0.53 0.00 0.00 54.58 52.66 1aoh n ASN 129 Cb 0.52 -0.78 0.71 0.00 -2.08 0.00 0.00 39.78 38.15 1aoh n ASN 129 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1aoh h ASN 130 N -1.32 0.00 -0.57 0.53 2.35 -1.61 -0.78 115.58 114.18 1aoh h ASN 130 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1aoh h ASN 130 Cb 0.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1aoh h ASN 130 CO 0.24 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.49 1aoh n ASP 131 N -2.62 3.49 -1.07 5.81 8.00 -1.26 -4.92 116.55 123.98 1aoh n ASP 131 Ca -0.00 -2.15 -0.13 0.00 0.71 0.00 0.00 54.79 53.22 1aoh n ASP 131 Cb 0.17 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 40.77 1aoh n ASP 131 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1aoh n LEU 132 N 1.09 -1.04 -4.69 0.64 4.77 -0.30 -5.01 117.00 112.46 1aoh n LEU 132 Ca 0.20 0.28 -0.39 0.00 -0.03 0.00 0.00 56.01 56.07 1aoh n LEU 132 Cb 0.60 -1.99 -0.06 0.00 -2.33 0.00 0.00 43.42 39.64 1aoh n LEU 132 CO 0.16 -0.61 0.25 -0.69 -1.33 0.00 0.00 177.39 175.17 1aoh s VAL 133 N -2.51 5.12 0.19 4.08 1.01 -1.26 -4.79 120.40 122.25 1aoh s VAL 133 Ca 0.00 1.03 -0.32 0.00 0.00 0.00 0.00 61.98 62.69 1aoh s VAL 133 Cb 0.00 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.41 1aoh s VAL 133 CO 0.00 0.23 1.64 -1.61 0.00 0.00 0.00 175.10 175.36 1aoh s GLU 134 N 1.23 4.17 0.10 2.72 0.41 -1.26 -1.38 118.70 124.69 1aoh s GLU 134 Ca 0.27 2.48 -0.05 0.00 -0.41 0.00 0.00 54.97 57.26 1aoh s GLU 134 Cb -0.16 -3.11 -0.05 0.00 -1.78 0.00 0.00 34.13 29.03 1aoh s GLU 134 CO 0.11 -0.67 0.34 -0.65 -0.49 0.00 0.00 175.26 173.89 1aoh s GLN 135 N 1.06 3.60 0.24 1.61 -1.52 0.81 -4.93 119.66 120.52 1aoh s GLN 135 Ca 0.72 -0.11 -0.30 0.00 -1.95 0.00 0.00 55.36 53.72 1aoh s GLN 135 Cb -0.47 -2.93 -0.09 0.00 -0.22 0.00 0.00 33.01 29.30 1aoh s GLN 135 CO 0.32 0.53 1.23 -1.59 -0.25 0.00 0.00 175.29 175.53 1aoh s LYS 136 N -2.40 4.47 0.17 2.91 -2.85 -1.26 -4.85 119.74 115.92 1aoh s LYS 136 Ca 0.37 1.98 0.06 0.00 -1.00 0.00 0.00 55.97 57.38 1aoh s LYS 136 Cb -0.13 -3.18 -0.04 0.00 -2.06 0.00 0.00 37.83 32.42 1aoh s LYS 136 CO 0.23 -0.09 -0.12 0.95 0.10 0.00 0.00 175.35 176.41 1aoh s THR 137 N -0.44 1.41 -0.09 3.79 -4.23 -1.26 -1.21 115.64 113.61 1aoh s THR 137 Ca 0.51 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 58.91 1aoh s THR 137 Cb -0.35 -1.89 0.04 0.00 1.34 0.00 0.00 72.50 71.65 1aoh s THR 137 CO 0.41 -0.65 0.10 -1.10 -0.54 0.00 0.00 174.62 172.84 1aoh s GLN 138 N -3.58 -0.01 -0.12 3.99 -0.21 -0.31 -4.85 119.66 114.57 1aoh s GLN 138 Ca 0.18 0.31 -0.04 0.00 0.02 0.00 0.00 55.36 55.83 1aoh s GLN 138 Cb 0.00 -0.79 -0.04 0.00 1.00 0.00 0.00 33.01 33.19 1aoh s GLN 138 CO 0.03 -0.42 0.04 -0.06 -2.12 0.00 0.00 175.29 172.76 1aoh s PHE 139 N 2.20 3.24 0.09 0.91 0.40 -1.26 -0.34 117.98 123.22 1aoh s PHE 139 Ca 0.04 0.17 0.08 0.00 -0.60 0.00 0.00 56.93 56.62 1aoh s PHE 139 Cb -0.13 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 1aoh s PHE 139 CO -0.05 0.39 -0.21 -0.06 0.70 0.00 0.00 175.22 175.98 1aoh s PHE 140 N -0.47 1.82 0.64 0.36 0.40 0.50 -4.94 117.98 116.29 1aoh s PHE 140 Ca 0.09 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 55.97 1aoh s PHE 140 Cb -0.12 -1.02 0.04 0.00 0.51 0.00 0.00 43.02 42.43 1aoh s PHE 140 CO 0.02 0.18 0.93 -0.51 0.70 0.00 0.00 175.22 176.54 1aoh s ASP 141 N -1.72 5.12 0.00 1.36 1.01 -1.26 -3.29 116.67 117.88 1aoh s ASP 141 Ca 0.07 0.40 0.00 0.00 0.71 0.00 0.00 52.55 53.73 1aoh s ASP 141 Cb -0.10 -1.20 0.00 0.00 1.01 0.00 0.00 42.92 42.63 1aoh s ASP 141 CO 0.04 -1.35 0.00 0.61 0.21 0.00 0.00 175.17 174.67 1aoh n GLY 142 N -2.69 4.43 0.00 0.21 0.00 -0.56 -4.43 105.19 102.14 1aoh n GLY 142 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1aoh n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aoh n GLY 143 N 0.00 0.93 3.15 -0.02 0.00 -0.43 -1.21 105.19 107.61 1aoh n GLY 143 Ca 0.00 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 1aoh n GLY 143 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aoh s VAL 144 N -2.37 2.35 -0.77 1.61 1.01 -0.12 -1.58 120.40 120.53 1aoh s VAL 144 Ca 0.00 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.76 1aoh s VAL 144 Cb 0.00 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.35 1aoh s VAL 144 CO 0.00 0.42 1.25 0.21 0.00 0.00 0.00 175.10 176.97 1aoh s ASN 145 N 1.30 6.21 0.18 3.32 2.47 0.86 -1.15 114.94 128.14 1aoh s ASN 145 Ca 0.03 -0.70 -0.30 0.00 0.42 0.00 0.00 52.86 52.31 1aoh s ASN 145 Cb -0.14 -2.53 -0.08 0.00 -1.45 0.00 0.00 41.25 37.05 1aoh s ASN 145 CO -0.10 -1.72 1.10 -0.69 -3.72 0.00 0.00 177.10 171.98 1aoh s VAL 146 N 5.30 3.85 0.00 -5.21 1.01 0.11 -1.77 120.40 123.69 1aoh s VAL 146 Ca 0.34 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1aoh s VAL 146 Cb -0.08 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1aoh s VAL 146 CO 0.11 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.09