#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ae2 s ILE 2 N 0.00 5.13 -0.31 1.12 1.01 -1.26 -5.04 121.20 121.85 1ae2 s ILE 2 Ca 0.00 0.93 -0.25 0.00 0.00 0.00 0.00 60.65 61.33 1ae2 s ILE 2 Cb 0.00 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1ae2 s ILE 2 CO 0.00 0.20 0.88 -0.75 0.00 0.00 0.00 174.94 175.27 1ae2 s LYS 3 N 1.47 3.99 -0.02 2.79 2.20 -1.26 -4.11 119.74 124.80 1ae2 s LYS 3 Ca 0.24 0.73 0.06 0.00 -0.36 0.00 0.00 55.97 56.63 1ae2 s LYS 3 Cb -0.15 -3.73 -0.03 0.00 -1.51 0.00 0.00 37.83 32.41 1ae2 s LYS 3 CO 0.10 -0.75 -0.18 0.08 -0.36 0.00 0.00 175.35 174.23 1ae2 s VAL 4 N 3.17 2.76 -0.04 4.02 1.01 -0.43 -0.68 120.40 130.21 1ae2 s VAL 4 Ca 0.36 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 1ae2 s VAL 4 Cb -0.14 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.19 1ae2 s VAL 4 CO 0.13 0.52 0.01 -0.70 0.00 0.00 0.00 175.10 175.06 1ae2 s GLU 5 N -0.89 0.36 -0.48 2.72 2.12 0.17 -1.04 118.70 121.66 1ae2 s GLU 5 Ca 0.12 0.11 -0.16 0.00 0.36 0.00 0.00 54.97 55.40 1ae2 s GLU 5 Cb -0.10 -0.63 0.07 0.00 0.26 0.00 0.00 34.13 33.73 1ae2 s GLU 5 CO 0.01 -0.20 0.46 0.42 -0.54 0.00 0.00 175.26 175.41 1ae2 s ILE 6 N 1.40 5.14 0.59 -3.70 -1.09 0.02 -0.87 121.20 122.69 1ae2 s ILE 6 Ca -0.04 -0.92 -0.18 0.00 -2.23 0.00 0.00 60.65 57.28 1ae2 s ILE 6 Cb -0.13 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 1ae2 s ILE 6 CO -0.03 -0.64 1.16 -0.54 -1.23 0.00 0.00 174.94 173.66 1ae2 s LYS 7 N 1.91 3.06 0.59 2.79 -0.14 -1.26 -0.92 119.74 125.76 1ae2 s LYS 7 Ca 0.07 1.67 0.29 0.00 -1.36 0.00 0.00 55.97 56.63 1ae2 s LYS 7 Cb -0.23 -1.96 1.53 0.00 -1.68 0.00 0.00 37.83 35.49 1ae2 s LYS 7 CO 0.08 -1.10 1.96 -1.35 -0.76 0.00 0.00 175.35 174.19 1ae2 h PRO 8 N 0.82 0.00 0.00 -1.68 0.11 -1.98 0.16 132.00 129.44 1ae2 h PRO 8 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ae2 h PRO 8 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ae2 h PRO 8 CO 0.55 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.21 1ae2 n SER 9 N -3.75 0.00 -0.99 -2.05 3.41 -1.26 -3.59 113.62 105.39 1ae2 n SER 9 Ca 0.06 0.12 0.09 0.00 -0.26 0.00 0.00 58.87 58.87 1ae2 n SER 9 Cb 0.55 -0.37 0.24 0.00 -0.26 0.00 0.00 64.21 64.37 1ae2 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ae2 n GLN 10 N -1.37 2.82 0.00 4.33 6.02 0.57 -4.70 117.38 125.05 1ae2 n GLN 10 Ca 0.11 -2.35 0.08 0.00 -0.01 0.00 0.00 57.00 54.82 1ae2 n GLN 10 Cb 0.27 -1.42 0.47 0.00 1.02 0.00 0.00 30.24 30.58 1ae2 n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ae2 n ALA 11 N 1.05 2.31 -2.44 -1.58 0.00 -1.24 -4.52 120.51 114.10 1ae2 n ALA 11 Ca 0.18 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.29 1ae2 n ALA 11 Cb 0.53 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 1ae2 n ALA 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1ae2 s GLN 12 N -2.00 1.51 0.37 0.00 2.00 -1.26 -4.83 119.66 115.45 1ae2 s GLN 12 Ca 0.24 -1.62 0.08 0.00 -2.00 0.00 0.00 55.36 52.06 1ae2 s GLN 12 Cb 0.11 -1.59 -0.06 0.00 0.80 0.00 0.00 33.01 32.26 1ae2 s GLN 12 CO 0.18 0.31 0.03 -0.59 -0.50 0.00 0.00 175.29 174.72 1ae2 s PHE 13 N -2.31 2.53 0.27 1.67 -0.12 -1.26 -4.68 117.98 114.07 1ae2 s PHE 13 Ca 0.24 -0.54 0.12 0.00 -0.05 0.00 0.00 56.93 56.69 1ae2 s PHE 13 Cb -0.05 -1.65 -0.05 0.00 -0.63 0.00 0.00 43.02 40.64 1ae2 s PHE 13 CO 0.11 0.43 -0.18 0.95 -0.05 0.00 0.00 175.22 176.47 1ae2 s THR 14 N -2.60 2.58 -0.18 -4.49 -4.23 -0.88 -4.95 115.64 100.88 1ae2 s THR 14 Ca 0.36 -2.30 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 1ae2 s THR 14 Cb 0.04 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.56 1ae2 s THR 14 CO 0.19 -0.36 -0.18 -0.89 -0.54 0.00 0.00 174.62 172.84 1ae2 s THR 15 N -2.37 1.99 0.09 3.99 2.01 -1.26 -0.53 115.64 119.56 1ae2 s THR 15 Ca 0.29 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 1ae2 s THR 15 Cb -0.06 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1ae2 s THR 15 CO 0.15 0.47 0.29 0.00 -0.69 0.00 0.00 174.62 174.84 1ae2 s ARG 16 N 1.31 3.54 0.20 4.92 1.70 0.05 -4.95 118.95 125.72 1ae2 s ARG 16 Ca 0.04 -0.23 0.05 0.00 -0.47 0.00 0.00 55.73 55.12 1ae2 s ARG 16 Cb -0.14 -2.96 -0.05 0.00 -0.57 0.00 0.00 34.95 31.24 1ae2 s ARG 16 CO -0.12 0.55 -0.07 0.45 -1.08 0.00 0.00 175.30 175.03 1ae2 s SER 17 N -2.37 2.09 0.00 -2.89 0.15 -1.26 -0.51 113.70 108.91 1ae2 s SER 17 Ca 0.37 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.91 1ae2 s SER 17 Cb -0.13 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1ae2 s SER 17 CO 0.25 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1ae2 n GLY 18 N -0.36 -0.84 2.86 9.45 0.00 -1.03 -5.00 105.19 110.27 1ae2 n GLY 18 Ca -0.07 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.82 1ae2 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ae2 s VAL 19 N -3.00 0.48 0.63 1.61 1.01 -1.26 -0.54 120.40 119.33 1ae2 s VAL 19 Ca 0.00 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 1ae2 s VAL 19 Cb 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1ae2 s VAL 19 CO 0.00 0.23 1.27 -0.94 0.00 0.00 0.00 175.10 175.65 1ae2 s SER 20 N 1.15 4.76 0.59 3.32 1.04 0.98 -4.87 113.70 120.67 1ae2 s SER 20 Ca -0.07 2.55 0.30 0.00 0.48 0.00 0.00 55.95 59.20 1ae2 s SER 20 Cb -0.14 -2.61 1.38 0.00 0.10 0.00 0.00 66.02 64.75 1ae2 s SER 20 CO -0.01 -1.90 1.76 0.03 0.98 0.00 0.00 173.24 174.10 1ae2 h ARG 21 N 0.62 0.00 -0.75 4.02 3.08 -2.02 0.43 114.38 119.76 1ae2 h ARG 21 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1ae2 h ARG 21 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1ae2 h ARG 21 CO 0.54 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.44 1ae2 n GLN 22 N -3.69 3.24 0.00 0.04 10.64 -1.26 -5.00 117.38 121.35 1ae2 n GLN 22 Ca 0.14 -1.82 0.00 0.00 -1.83 0.00 0.00 57.00 53.50 1ae2 n GLN 22 Cb 0.95 -1.93 0.00 0.00 -0.86 0.00 0.00 30.24 28.39 1ae2 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ae2 n GLY 23 N 0.38 2.19 3.61 2.61 0.00 0.15 -5.05 105.19 109.09 1ae2 n GLY 23 Ca 0.16 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 1ae2 n GLY 23 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ae2 n LYS 24 N 0.00 2.15 -1.73 1.61 4.81 -1.25 -4.43 118.16 119.32 1ae2 n LYS 24 Ca 0.00 0.68 -0.42 0.00 -0.87 0.00 0.00 58.31 57.70 1ae2 n LYS 24 Cb 0.00 -3.05 0.00 0.00 0.02 0.00 0.00 35.03 32.00 1ae2 n LYS 24 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1ae2 n PRO 25 N 8.18 2.26 -4.53 1.64 -0.02 -1.26 -0.02 135.00 141.26 1ae2 n PRO 25 Ca 0.28 0.80 -0.25 0.00 -2.02 0.00 0.00 63.50 62.31 1ae2 n PRO 25 Cb 0.40 -2.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 1ae2 n PRO 25 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1ae2 s TYR 26 N -1.13 2.11 -0.24 6.00 -0.85 0.30 -4.84 117.35 118.70 1ae2 s TYR 26 Ca 0.56 -0.90 -0.05 0.00 -0.52 0.00 0.00 57.07 56.16 1ae2 s TYR 26 Cb -0.52 -1.44 0.12 0.00 0.38 0.00 0.00 41.96 40.50 1ae2 s TYR 26 CO 0.62 0.13 0.46 -1.12 -1.52 0.00 0.00 175.55 174.11 1ae2 s SER 27 N -3.59 -0.36 -0.22 -0.18 0.01 -1.26 -2.47 113.70 105.63 1ae2 s SER 27 Ca 0.33 0.79 -0.12 0.00 1.31 0.00 0.00 55.95 58.26 1ae2 s SER 27 Cb 0.08 1.51 -0.05 0.00 0.21 0.00 0.00 66.02 67.77 1ae2 s SER 27 CO 0.15 -0.26 0.23 -0.76 0.41 0.00 0.00 173.24 173.01 1ae2 s LEU 28 N 2.66 4.14 -0.29 2.44 1.43 0.33 -4.95 118.68 124.44 1ae2 s LEU 28 Ca 0.06 0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 53.23 1ae2 s LEU 28 Cb -0.14 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 1ae2 s LEU 28 CO -0.16 0.04 0.50 0.20 0.23 0.00 0.00 176.35 177.16 1ae2 s ASN 29 N 0.96 6.37 0.22 2.29 0.02 -1.26 -0.77 114.94 122.76 1ae2 s ASN 29 Ca 0.11 0.30 0.11 0.00 -1.02 0.00 0.00 52.86 52.36 1ae2 s ASN 29 Cb -0.14 -2.27 -0.04 0.00 0.02 0.00 0.00 41.25 38.82 1ae2 s ASN 29 CO 0.05 -0.34 -0.16 -1.83 0.02 0.00 0.00 177.10 174.84 1ae2 s GLU 30 N 2.32 1.81 0.15 -0.60 1.03 0.31 -1.22 118.70 122.50 1ae2 s GLU 30 Ca 0.20 -1.48 0.01 0.00 0.03 0.00 0.00 54.97 53.72 1ae2 s GLU 30 Cb -0.16 -1.97 -0.04 0.00 -0.80 0.00 0.00 34.13 31.17 1ae2 s GLU 30 CO 0.11 0.39 0.01 -1.14 -1.33 0.00 0.00 175.26 173.30 1ae2 s GLN 31 N -3.01 1.02 0.25 -4.83 0.74 -0.31 -2.07 119.66 111.45 1ae2 s GLN 31 Ca 0.25 -1.48 0.10 0.00 0.05 0.00 0.00 55.36 54.28 1ae2 s GLN 31 Cb -0.07 -0.13 -0.04 0.00 1.10 0.00 0.00 33.01 33.87 1ae2 s GLN 31 CO 0.14 -0.15 -0.06 1.03 -0.55 0.00 0.00 175.29 175.70 1ae2 s ARG 32 N -3.94 2.14 0.30 1.67 3.00 -1.26 -1.51 118.95 119.36 1ae2 s ARG 32 Ca 0.22 -1.46 -0.19 0.00 0.00 0.00 0.00 55.73 54.30 1ae2 s ARG 32 Cb 0.06 -2.09 0.04 0.00 0.00 0.00 0.00 34.95 32.97 1ae2 s ARG 32 CO 0.02 0.37 0.79 0.00 0.00 0.00 0.00 175.30 176.48 1ae2 s TYR 34 N -3.14 2.70 -0.12 0.00 2.02 -0.05 -1.36 117.35 117.40 1ae2 s TYR 34 Ca 0.13 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 1ae2 s TYR 34 Cb -0.05 -1.72 0.01 0.00 -0.40 0.00 0.00 41.96 39.80 1ae2 s TYR 34 CO 0.08 -0.07 -0.20 0.08 -1.57 0.00 0.00 175.55 173.87 1ae2 s VAL 35 N -0.13 1.86 -0.61 0.71 1.01 0.35 -0.65 120.40 122.93 1ae2 s VAL 35 Ca -0.02 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 60.83 1ae2 s VAL 35 Cb -0.14 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.63 1ae2 s VAL 35 CO 0.04 0.51 1.15 -0.62 0.00 0.00 0.00 175.10 176.18 1ae2 s ASP 36 N 0.81 6.36 -0.15 3.32 -1.08 0.14 -1.20 116.67 124.86 1ae2 s ASP 36 Ca -0.08 -0.15 0.15 0.00 -0.52 0.00 0.00 52.55 51.95 1ae2 s ASP 36 Cb -0.16 -2.53 0.70 0.00 -1.46 0.00 0.00 42.92 39.47 1ae2 s ASP 36 CO -0.00 -1.51 1.58 0.18 0.52 0.00 0.00 175.17 175.94 1ae2 n LEU 37 N 8.42 4.76 -0.31 -1.34 4.32 -1.26 -4.46 117.00 127.14 1ae2 n LEU 37 Ca 0.06 -2.41 -0.04 0.00 -0.02 0.00 0.00 56.01 53.60 1ae2 n LEU 37 Cb 0.49 -0.60 -0.02 0.00 -1.62 0.00 0.00 43.42 41.67 1ae2 n LEU 37 CO 0.70 0.68 -0.04 0.61 -1.22 0.00 0.00 177.39 178.12 1ae2 n GLY 38 N 0.86 0.69 1.30 -0.72 0.00 -1.26 -5.06 105.19 101.00 1ae2 n GLY 38 Ca 0.24 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 1ae2 n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ae2 n ASN 39 N 0.80 0.32 -0.36 1.61 2.04 -1.26 -4.98 115.26 113.43 1ae2 n ASN 39 Ca -0.04 -1.31 0.06 0.00 -0.44 0.00 0.00 54.58 52.85 1ae2 n ASN 39 Cb 0.16 -0.26 0.24 0.00 -2.53 0.00 0.00 39.78 37.39 1ae2 n ASN 39 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 1ae2 h GLU 40 N 0.00 0.99 -4.67 -3.83 4.39 -2.03 -3.42 114.58 106.00 1ae2 h GLU 40 Ca -0.12 -0.06 -0.23 0.00 0.34 0.00 0.00 59.36 59.29 1ae2 h GLU 40 Cb 0.41 -0.22 -0.15 0.00 -0.10 0.00 0.00 28.75 28.68 1ae2 h GLU 40 CO 0.11 0.65 -0.70 0.71 -1.16 0.00 0.00 179.01 178.63 1ae2 s TYR 41 N -5.95 0.91 0.62 4.33 2.02 -1.26 -5.14 117.35 112.88 1ae2 s TYR 41 Ca -0.12 -0.91 -0.18 0.00 -0.37 0.00 0.00 57.07 55.49 1ae2 s TYR 41 Cb 0.22 -0.53 -0.03 0.00 -0.40 0.00 0.00 41.96 41.22 1ae2 s TYR 41 CO 0.81 -0.15 1.08 -2.30 -1.57 0.00 0.00 175.55 173.43 1ae2 n PRO 42 N -0.06 0.96 -3.87 -1.71 -0.02 -1.26 -4.78 135.00 124.25 1ae2 n PRO 42 Ca -0.12 0.38 -0.22 0.00 -2.02 0.00 0.00 63.50 61.52 1ae2 n PRO 42 Cb 0.61 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 1ae2 n PRO 42 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ae2 s VAL 43 N -1.47 5.24 -0.08 -1.45 -7.23 -0.34 -4.83 120.40 110.23 1ae2 s VAL 43 Ca 0.79 -0.90 -0.17 0.00 -1.81 0.00 0.00 61.98 59.89 1ae2 s VAL 43 Cb -0.40 -3.86 -0.05 0.00 0.56 0.00 0.00 36.38 32.63 1ae2 s VAL 43 CO 0.44 -0.36 0.44 -0.22 -0.31 0.00 0.00 175.10 175.09 1ae2 s LEU 44 N -4.02 4.34 -0.02 1.32 1.98 -1.26 -0.49 118.68 120.53 1ae2 s LEU 44 Ca 0.35 0.85 0.03 0.00 -2.89 0.00 0.00 54.13 52.47 1ae2 s LEU 44 Cb -0.09 -2.64 -0.00 0.00 0.66 0.00 0.00 46.19 44.12 1ae2 s LEU 44 CO 0.30 0.12 -0.12 -0.69 -1.89 0.00 0.00 176.35 174.08 1ae2 s VAL 45 N 0.03 0.95 -0.18 1.68 1.01 -0.46 -4.96 120.40 118.47 1ae2 s VAL 45 Ca 0.24 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 1ae2 s VAL 45 Cb -0.16 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1ae2 s VAL 45 CO 0.11 0.28 0.37 -0.54 0.00 0.00 0.00 175.10 175.32 1ae2 s LYS 46 N -0.07 4.23 -0.10 2.72 1.02 -1.26 -1.98 119.74 124.29 1ae2 s LYS 46 Ca 0.01 0.20 0.01 0.00 0.02 0.00 0.00 55.97 56.20 1ae2 s LYS 46 Cb -0.07 -3.49 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 1ae2 s LYS 46 CO 0.00 0.08 -0.12 0.96 -0.92 0.00 0.00 175.35 175.35 1ae2 s ILE 47 N 0.93 3.20 -0.18 2.17 -4.36 -0.57 -4.99 121.20 117.41 1ae2 s ILE 47 Ca 0.19 -0.63 -0.19 0.00 -0.26 0.00 0.00 60.65 59.76 1ae2 s ILE 47 Cb -0.14 -2.32 -0.03 0.00 1.25 0.00 0.00 42.46 41.21 1ae2 s ILE 47 CO 0.07 0.55 0.55 -0.89 0.24 0.00 0.00 174.94 175.46 1ae2 s THR 48 N -0.07 5.09 0.61 8.37 2.01 -1.26 -1.16 115.64 129.23 1ae2 s THR 48 Ca -0.02 1.03 -0.15 0.00 0.31 0.00 0.00 61.69 62.87 1ae2 s THR 48 Cb -0.14 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 1ae2 s THR 48 CO 0.04 0.18 1.05 -0.76 -0.69 0.00 0.00 174.62 174.44 1ae2 s LEU 49 N 1.53 3.43 0.52 4.42 1.02 -0.36 -4.77 118.68 124.46 1ae2 s LEU 49 Ca 0.26 1.75 -0.14 0.00 0.02 0.00 0.00 54.13 56.02 1ae2 s LEU 49 Cb -0.16 -4.52 -0.07 0.00 0.02 0.00 0.00 46.19 41.47 1ae2 s LEU 49 CO 0.10 -1.17 0.95 -1.81 0.02 0.00 0.00 176.35 174.44 1ae2 s ASP 50 N -3.04 6.51 0.25 2.29 1.01 -1.26 -4.62 116.67 117.81 1ae2 s ASP 50 Ca 0.62 1.44 -0.28 0.00 0.71 0.00 0.00 52.55 55.04 1ae2 s ASP 50 Cb -0.15 -2.46 -0.16 0.00 1.01 0.00 0.00 42.92 41.16 1ae2 s ASP 50 CO 0.40 -0.61 0.73 1.21 0.21 0.00 0.00 175.17 177.11 1ae2 n GLU 51 N -1.80 0.61 -0.80 8.23 2.13 -1.26 -1.71 120.64 126.03 1ae2 n GLU 51 Ca 0.06 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1ae2 n GLU 51 Cb 0.54 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.87 1ae2 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ae2 n GLY 52 N 1.65 0.51 3.69 8.31 0.00 -1.26 -4.99 105.19 113.10 1ae2 n GLY 52 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1ae2 n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ae2 s GLN 53 N -0.52 4.36 0.67 1.61 -0.21 -0.69 -5.07 119.66 119.81 1ae2 s GLN 53 Ca 0.00 0.99 -0.13 0.00 0.02 0.00 0.00 55.36 56.23 1ae2 s GLN 53 Cb 0.00 -3.52 -0.00 0.00 1.00 0.00 0.00 33.01 30.49 1ae2 s GLN 53 CO 0.00 -0.17 1.07 -1.25 -2.12 0.00 0.00 175.29 172.83 1ae2 s PRO 54 N 1.58 2.93 0.50 2.91 0.04 -1.26 -4.88 135.00 136.82 1ae2 s PRO 54 Ca 0.39 1.16 -0.22 0.00 0.04 0.00 0.00 61.00 62.37 1ae2 s PRO 54 Cb -0.17 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 1ae2 s PRO 54 CO 0.16 -1.12 0.98 0.00 0.04 0.00 0.00 177.00 177.06 1ae2 n ALA 55 N -2.67 0.19 -2.20 8.56 0.00 -1.26 -4.94 120.51 118.19 1ae2 n ALA 55 Ca 0.09 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 1ae2 n ALA 55 Cb 0.53 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 1ae2 n ALA 55 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ae2 s TYR 56 N -1.39 3.29 0.77 0.00 2.02 -1.26 -5.03 117.35 115.75 1ae2 s TYR 56 Ca 0.68 1.07 -0.13 0.00 -0.37 0.00 0.00 57.07 58.32 1ae2 s TYR 56 Cb -0.49 -3.61 0.06 0.00 -0.40 0.00 0.00 41.96 37.52 1ae2 s TYR 56 CO 0.53 -2.06 1.16 0.00 -1.57 0.00 0.00 175.55 173.60 1ae2 s ALA 57 N 0.95 2.03 0.32 3.71 0.00 -1.26 -4.68 121.76 122.83 1ae2 s ALA 57 Ca 0.62 0.65 -0.27 0.00 0.00 0.00 0.00 51.96 52.96 1ae2 s ALA 57 Cb -0.35 -3.41 -0.13 0.00 0.00 0.00 0.00 23.12 19.23 1ae2 s ALA 57 CO 0.31 -2.00 1.07 -2.30 0.00 0.00 0.00 175.76 172.85 1ae2 n PRO 58 N -3.20 1.54 -2.80 0.00 -0.02 -1.26 -4.75 135.00 124.51 1ae2 n PRO 58 Ca 0.12 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1ae2 n PRO 58 Cb 0.51 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1ae2 n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ae2 n GLY 59 N 1.11 -1.66 3.68 -1.23 0.00 -0.10 -4.95 105.19 102.04 1ae2 n GLY 59 Ca 0.08 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 1ae2 n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ae2 s LEU 60 N 0.00 4.18 0.16 0.99 1.43 -1.26 -0.80 118.68 123.38 1ae2 s LEU 60 Ca 0.00 0.58 0.08 0.00 -1.03 0.00 0.00 54.13 53.75 1ae2 s LEU 60 Cb 0.00 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 1ae2 s LEU 60 CO 0.00 -0.07 -0.16 -0.31 0.23 0.00 0.00 176.35 176.04 1ae2 s TYR 61 N 1.20 1.67 0.29 0.29 2.02 -0.20 -1.69 117.35 120.93 1ae2 s TYR 61 Ca 0.20 -0.52 0.05 0.00 -0.37 0.00 0.00 57.07 56.43 1ae2 s TYR 61 Cb -0.15 -0.83 -0.06 0.00 -0.40 0.00 0.00 41.96 40.53 1ae2 s TYR 61 CO 0.08 0.29 -0.00 -0.08 -1.57 0.00 0.00 175.55 174.26 1ae2 s THR 62 N -2.34 1.37 0.08 -0.71 -1.32 -0.26 -1.31 115.64 111.16 1ae2 s THR 62 Ca 0.16 -2.06 -0.27 0.00 -1.21 0.00 0.00 61.69 58.31 1ae2 s THR 62 Cb -0.04 -2.57 -0.06 0.00 -1.51 0.00 0.00 72.50 68.32 1ae2 s THR 62 CO 0.06 -0.19 0.85 -0.69 -2.21 0.00 0.00 174.62 172.43 1ae2 s VAL 63 N -3.19 4.60 0.23 5.08 1.01 -1.26 -1.32 120.40 125.56 1ae2 s VAL 63 Ca 0.32 1.82 -0.21 0.00 0.00 0.00 0.00 61.98 63.90 1ae2 s VAL 63 Cb 0.06 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 1ae2 s VAL 63 CO 0.13 0.36 0.77 -2.28 0.00 0.00 0.00 175.10 174.08 1ae2 s HIS 64 N -0.14 3.68 0.43 5.22 5.04 0.27 -4.85 115.29 124.93 1ae2 s HIS 64 Ca 0.42 1.48 0.16 0.00 -1.54 0.00 0.00 55.06 55.57 1ae2 s HIS 64 Cb -0.22 -2.68 1.06 0.00 0.04 0.00 0.00 32.58 30.77 1ae2 s HIS 64 CO 0.26 0.33 1.91 -0.07 -2.34 0.00 0.00 174.74 174.83 1ae2 h LEU 65 N 3.45 0.39 0.00 8.88 3.38 -1.96 -0.73 115.31 128.72 1ae2 h LEU 65 Ca -0.48 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1ae2 h LEU 65 Cb 1.19 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1ae2 h LEU 65 CO 0.65 0.20 0.01 -1.54 0.09 0.00 0.00 178.44 177.85 1ae2 n SER 66 N -4.48 0.00 0.25 -0.43 3.41 -1.26 -1.75 113.62 109.37 1ae2 n SER 66 Ca 0.15 0.28 0.15 0.00 -0.26 0.00 0.00 58.87 59.18 1ae2 n SER 66 Cb 0.56 -0.28 0.54 0.00 -0.26 0.00 0.00 64.21 64.77 1ae2 n SER 66 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ae2 h SER 67 N 0.00 0.00 -2.80 4.04 0.02 -1.30 -3.44 113.55 110.06 1ae2 h SER 67 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 1ae2 h SER 67 Cb 0.02 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1ae2 h SER 67 CO 0.00 0.06 -0.49 -0.36 -1.14 0.00 0.00 176.83 174.89 1ae2 s PHE 68 N -3.58 3.50 0.17 3.45 0.08 -0.72 0.67 117.98 121.55 1ae2 s PHE 68 Ca 0.02 0.20 -0.17 0.00 0.12 0.00 0.00 56.93 57.10 1ae2 s PHE 68 Cb 0.09 -1.72 0.03 0.00 -0.57 0.00 0.00 43.02 40.84 1ae2 s PHE 68 CO 0.59 0.56 0.49 -1.59 -0.10 0.00 0.00 175.22 175.17 1ae2 s LYS 69 N -2.74 1.29 -0.06 0.44 -2.85 -0.59 -4.78 119.74 110.45 1ae2 s LYS 69 Ca 0.35 -0.81 -0.20 0.00 -1.00 0.00 0.00 55.97 54.31 1ae2 s LYS 69 Cb -0.12 0.51 -0.05 0.00 -2.06 0.00 0.00 37.83 36.11 1ae2 s LYS 69 CO 0.28 -0.54 0.56 0.08 0.10 0.00 0.00 175.35 175.83 1ae2 s VAL 70 N -3.85 5.05 0.85 1.79 1.01 -1.26 -0.03 120.40 123.95 1ae2 s VAL 70 Ca 0.07 1.15 -0.07 0.00 0.00 0.00 0.00 61.98 63.13 1ae2 s VAL 70 Cb -0.00 -3.89 0.18 0.00 0.00 0.00 0.00 36.38 32.66 1ae2 s VAL 70 CO -0.06 0.36 1.16 -0.83 0.00 0.00 0.00 175.10 175.73 1ae2 s GLY 71 N 0.26 1.78 0.00 4.51 0.00 0.52 -4.86 107.32 109.52 1ae2 s GLY 71 Ca 0.30 -1.65 0.17 0.00 0.00 0.00 0.00 44.72 43.53 1ae2 s GLY 71 CO 0.14 -0.95 1.41 0.61 0.00 0.00 0.00 173.10 174.32 1ae2 n GLN 72 N -3.28 0.49 -0.32 2.90 10.64 -1.26 -1.51 117.38 125.05 1ae2 n GLN 72 Ca 0.17 0.01 0.07 0.00 -1.83 0.00 0.00 57.00 55.43 1ae2 n GLN 72 Cb 0.60 -1.50 0.21 0.00 -0.86 0.00 0.00 30.24 28.69 1ae2 n GLN 72 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1ae2 n PHE 73 N -1.03 0.69 -0.54 2.61 3.72 -1.26 -4.98 117.46 116.67 1ae2 n PHE 73 Ca 0.12 -0.75 0.00 0.00 -0.05 0.00 0.00 57.45 56.77 1ae2 n PHE 73 Cb 0.07 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 1ae2 n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ae2 n GLY 74 N -0.24 1.82 3.94 1.37 0.00 -0.57 -5.05 105.19 106.45 1ae2 n GLY 74 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1ae2 n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ae2 s SER 75 N -3.39 6.06 0.09 1.61 1.04 -1.26 -4.75 113.70 113.10 1ae2 s SER 75 Ca 0.00 0.48 -0.30 0.00 0.48 0.00 0.00 55.95 56.60 1ae2 s SER 75 Cb 0.00 -1.84 -0.06 0.00 0.10 0.00 0.00 66.02 64.21 1ae2 s SER 75 CO 0.00 -0.56 1.20 -0.22 0.98 0.00 0.00 173.24 174.65 1ae2 s LEU 76 N -4.53 4.39 0.32 2.42 2.96 -1.26 -0.35 118.68 122.63 1ae2 s LEU 76 Ca 0.45 2.07 0.05 0.00 -0.22 0.00 0.00 54.13 56.49 1ae2 s LEU 76 Cb -0.10 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.94 1ae2 s LEU 76 CO 0.39 -0.45 0.02 0.00 -1.32 0.00 0.00 176.35 174.99 1ae2 s MET 77 N 0.75 1.65 -0.07 1.98 0.23 0.96 -4.84 119.30 119.96 1ae2 s MET 77 Ca 0.57 -1.90 -0.19 0.00 -1.03 0.00 0.00 55.69 53.15 1ae2 s MET 77 Cb -0.30 -1.02 -0.05 0.00 -1.53 0.00 0.00 34.83 31.93 1ae2 s MET 77 CO 0.31 -0.11 0.53 0.42 -2.03 0.00 0.00 175.02 174.13 1ae2 s ILE 78 N -3.16 5.09 -0.01 3.16 1.01 -1.26 -1.54 121.20 124.48 1ae2 s ILE 78 Ca 0.34 1.08 -0.00 0.00 0.00 0.00 0.00 60.65 62.07 1ae2 s ILE 78 Cb 0.08 -3.87 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 1ae2 s ILE 78 CO 0.15 0.36 -0.00 -0.78 0.00 0.00 0.00 174.94 174.67 1ae2 h ASP 79 N 6.28 0.00 -3.49 3.58 3.58 -0.07 -3.47 116.42 122.84 1ae2 h ASP 79 Ca -0.43 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 56.79 1ae2 h ASP 79 Cb 1.19 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 41.93 1ae2 h ASP 79 CO 0.73 0.04 -0.59 -0.60 -2.88 0.00 0.00 179.24 175.95 1ae2 s ARG 80 N -1.05 0.11 -0.22 0.28 3.52 -1.22 -5.08 118.95 115.28 1ae2 s ARG 80 Ca -0.00 0.35 -0.29 0.00 -0.13 0.00 0.00 55.73 55.66 1ae2 s ARG 80 Cb 0.00 -0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.22 1ae2 s ARG 80 CO 0.00 -0.14 1.82 -1.17 -0.81 0.00 0.00 175.30 175.00 1ae2 s LEU 81 N 0.99 3.77 -0.11 -0.88 2.96 -1.26 -4.26 118.68 119.88 1ae2 s LEU 81 Ca -0.08 1.71 0.02 0.00 -0.22 0.00 0.00 54.13 55.57 1ae2 s LEU 81 Cb -0.10 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 1ae2 s LEU 81 CO -0.05 -1.48 -0.19 -0.13 -1.32 0.00 0.00 176.35 173.17 1ae2 s ARG 82 N 5.22 3.19 0.15 1.98 0.52 -1.26 -4.83 118.95 123.92 1ae2 s ARG 82 Ca 0.81 -0.79 0.11 0.00 -0.52 0.00 0.00 55.73 55.34 1ae2 s ARG 82 Cb -0.28 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 1ae2 s ARG 82 CO 0.33 0.20 -0.25 -0.51 0.02 0.00 0.00 175.30 175.09 1ae2 s LEU 83 N 0.33 2.38 0.03 2.53 1.43 -1.26 -0.56 118.68 123.55 1ae2 s LEU 83 Ca -0.15 -0.79 0.04 0.00 -1.03 0.00 0.00 54.13 52.20 1ae2 s LEU 83 Cb -0.17 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.82 1ae2 s LEU 83 CO 0.07 0.16 -0.11 0.68 0.23 0.00 0.00 176.35 177.38 1ae2 s VAL 84 N -1.30 0.86 0.11 -1.59 -7.23 -0.43 -4.83 120.40 105.99 1ae2 s VAL 84 Ca 0.17 -0.87 -0.36 0.00 -1.81 0.00 0.00 61.98 59.11 1ae2 s VAL 84 Cb -0.09 -0.80 -0.16 0.00 0.56 0.00 0.00 36.38 35.88 1ae2 s VAL 84 CO 0.08 -0.05 1.32 -0.81 -0.31 0.00 0.00 175.10 175.32 1ae2 n PRO 85 N 2.01 1.21 0.00 4.82 -0.04 -1.26 -1.10 135.00 140.65 1ae2 n PRO 85 Ca -0.18 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 1ae2 n PRO 85 Cb 0.55 -2.06 0.74 0.00 -0.04 0.00 0.00 33.50 32.70 1ae2 n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46