#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aje n ARG 10 N 0.00 -1.52 -3.15 -1.09 5.12 -1.26 -4.92 116.66 109.85 2aje n ARG 10 Ca 0.00 1.05 -0.43 0.00 -1.93 0.00 0.00 57.85 56.53 2aje n ARG 10 Cb 0.00 -5.41 -0.07 0.00 -1.16 0.00 0.00 32.46 25.83 2aje n ARG 10 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2aje s ARG 11 N -3.37 3.19 0.99 5.56 3.52 -1.26 -5.06 118.95 122.52 2aje s ARG 11 Ca 0.00 -0.62 -0.16 0.00 -0.13 0.00 0.00 55.73 54.82 2aje s ARG 11 Cb 0.00 -4.01 0.20 0.00 -1.56 0.00 0.00 34.95 29.57 2aje s ARG 11 CO 0.00 -1.09 1.24 0.96 -0.81 0.00 0.00 175.30 175.60 2aje s ILE 12 N 2.69 1.92 0.00 4.11 -5.25 -1.26 -5.02 121.20 118.38 2aje s ILE 12 Ca 0.18 0.00 0.00 0.00 -0.99 0.00 0.00 60.65 59.84 2aje s ILE 12 Cb -0.16 -2.86 0.00 0.00 2.95 0.00 0.00 42.46 42.38 2aje s ILE 12 CO 0.15 0.00 0.00 -1.14 -1.79 0.00 0.00 174.94 172.16 2aje n ARG 13 N -3.92 0.00 -1.62 0.37 0.63 -1.26 -5.11 116.66 105.76 2aje n ARG 13 Ca 0.13 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.66 2aje n ARG 13 Cb 0.60 -0.42 0.03 0.00 0.45 0.00 0.00 32.46 33.11 2aje n ARG 13 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2aje n ARG 14 N -1.17 1.23 0.21 -0.14 5.12 -1.26 -4.93 116.66 115.72 2aje n ARG 14 Ca 0.00 0.45 -0.15 0.00 -1.93 0.00 0.00 57.85 56.22 2aje n ARG 14 Cb 0.00 -2.11 -0.08 0.00 -1.16 0.00 0.00 32.46 29.11 2aje n ARG 14 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2aje h PRO 15 N 1.20 -0.45 -5.58 5.56 0.11 -1.99 -3.45 132.00 127.40 2aje h PRO 15 Ca -0.46 0.03 -0.64 0.00 0.11 0.00 0.00 66.00 65.04 2aje h PRO 15 Cb 1.34 0.10 -0.13 0.00 0.11 0.00 0.00 31.00 32.43 2aje h PRO 15 CO 0.55 -0.27 -0.58 -0.06 -0.21 0.00 0.00 178.00 177.43 2aje s PHE 16 N -5.90 2.39 0.29 0.65 0.40 -1.26 -5.10 117.98 109.45 2aje s PHE 16 Ca -0.15 -0.72 -0.19 0.00 -0.60 0.00 0.00 56.93 55.27 2aje s PHE 16 Cb 0.04 -1.76 0.07 0.00 0.51 0.00 0.00 43.02 41.88 2aje s PHE 16 CO 0.63 0.39 0.91 -1.54 0.70 0.00 0.00 175.22 176.31 2aje s SER 17 N -3.75 0.01 0.58 1.36 1.04 -1.24 -4.70 113.70 106.99 2aje s SER 17 Ca 0.30 -0.93 0.30 0.00 0.48 0.00 0.00 55.95 56.10 2aje s SER 17 Cb 0.08 0.69 1.43 0.00 0.10 0.00 0.00 66.02 68.32 2aje s SER 17 CO 0.15 -1.37 1.82 1.62 0.98 0.00 0.00 173.24 176.44 2aje h VAL 18 N 2.00 0.36 0.53 5.02 3.04 -1.99 -1.49 116.25 123.73 2aje h VAL 18 Ca -0.30 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.37 2aje h VAL 18 Cb 1.23 0.51 -0.02 0.00 -2.01 0.00 0.00 31.29 31.01 2aje h VAL 18 CO 0.39 0.00 -0.42 0.00 -1.01 0.00 0.00 177.57 176.52 2aje h ALA 19 N 1.37 -0.99 -0.26 3.17 0.00 -1.95 -1.95 119.26 118.65 2aje h ALA 19 Ca 0.33 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2aje h ALA 19 Cb 1.61 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 2aje h ALA 19 CO -0.00 -1.09 -0.29 1.49 0.00 0.00 0.00 179.25 179.36 2aje h GLU 20 N -0.94 0.52 -0.46 0.00 4.57 -1.70 -2.68 114.58 113.90 2aje h GLU 20 Ca -0.06 -0.22 0.13 0.00 -1.18 0.00 0.00 59.36 58.04 2aje h GLU 20 Cb 0.80 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 2aje h GLU 20 CO -0.00 0.76 0.34 0.28 -1.18 0.00 0.00 179.01 179.21 2aje h VAL 21 N 0.46 0.72 0.16 0.32 2.07 -1.11 -2.15 116.25 116.71 2aje h VAL 21 Ca 0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.60 2aje h VAL 21 Cb 0.73 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2aje h VAL 21 CO 0.06 0.00 -0.42 -0.08 0.02 0.00 0.00 177.57 177.15 2aje h GLU 22 N 0.00 -0.65 -0.74 1.57 4.81 -0.99 0.30 114.58 118.88 2aje h GLU 22 Ca 0.22 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2aje h GLU 22 Cb 0.90 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 2aje h GLU 22 CO -0.00 -0.43 0.47 0.00 -0.73 0.00 0.00 179.01 178.32 2aje h ALA 23 N -0.22 0.93 -0.11 2.92 0.00 -1.56 -0.93 119.26 120.30 2aje h ALA 23 Ca 0.01 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2aje h ALA 23 Cb 0.69 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2aje h ALA 23 CO -0.22 0.37 0.09 1.25 0.00 0.00 0.00 179.25 180.74 2aje h LEU 24 N 1.00 0.00 -0.06 0.00 5.85 -1.01 -0.86 115.31 120.23 2aje h LEU 24 Ca 0.27 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.73 2aje h LEU 24 Cb -0.09 0.00 0.02 0.00 0.37 0.00 0.00 40.66 40.96 2aje h LEU 24 CO -0.06 0.00 -0.97 0.58 -0.34 0.00 0.00 178.44 177.66 2aje h VAL 25 N 0.00 1.28 0.00 1.05 2.07 0.94 -2.12 116.25 119.48 2aje h VAL 25 Ca 0.05 -2.18 -0.01 0.00 0.82 0.00 0.00 66.70 65.38 2aje h VAL 25 Cb 0.23 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 2aje h VAL 25 CO -0.00 0.68 -0.05 -0.61 0.02 0.00 0.00 177.57 177.61 2aje h GLN 26 N 0.43 0.00 0.11 1.57 -0.00 -0.53 0.18 115.11 116.87 2aje h GLN 26 Ca -0.11 0.00 -0.33 0.00 -0.00 0.00 0.00 58.65 58.21 2aje h GLN 26 Cb 1.61 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 29.08 2aje h GLN 26 CO 0.19 0.05 -1.77 0.00 0.00 0.00 0.00 178.83 177.30 2aje h ALA 27 N 1.95 0.42 0.00 3.38 0.00 -1.28 -3.37 119.26 120.36 2aje h ALA 27 Ca -0.00 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.61 2aje h ALA 27 Cb 0.31 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2aje h ALA 27 CO 0.01 1.28 -0.51 -0.39 0.00 0.00 0.00 179.25 179.64 2aje h VAL 28 N 0.06 0.00 0.00 0.00 -1.51 -1.06 -3.33 116.25 110.41 2aje h VAL 28 Ca -0.33 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.32 2aje h VAL 28 Cb 2.03 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 32.72 2aje h VAL 28 CO 0.12 0.00 0.06 -1.84 -1.23 0.00 0.00 177.57 174.68 2aje n GLU 29 N -2.61 0.00 -0.10 5.19 0.28 0.02 0.14 120.64 123.57 2aje n GLU 29 Ca 0.03 0.43 -0.16 0.00 -0.16 0.00 0.00 57.16 57.30 2aje n GLU 29 Cb 0.50 -1.56 -0.09 0.00 1.43 0.00 0.00 31.44 31.72 2aje n GLU 29 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2aje n LYS 30 N -1.43 0.50 -0.63 3.44 2.85 -1.25 -4.68 118.16 116.96 2aje n LYS 30 Ca 0.00 0.14 0.06 0.00 -1.05 0.00 0.00 58.31 57.46 2aje n LYS 30 Cb 0.06 -1.38 0.19 0.00 -0.65 0.00 0.00 35.03 33.25 2aje n LYS 30 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2aje n LEU 31 N -3.28 2.55 0.00 -5.58 -0.00 -0.88 -4.73 117.00 105.09 2aje n LEU 31 Ca -0.38 -3.71 0.00 0.00 -0.00 0.00 0.00 56.01 51.93 2aje n LEU 31 Cb 0.87 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 2aje n LEU 31 CO 0.17 1.29 0.00 0.61 -0.00 0.00 0.00 177.39 179.46 2aje n GLY 32 N -1.02 -1.30 0.86 1.47 0.00 0.38 -4.95 105.19 100.63 2aje n GLY 32 Ca 0.18 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2aje n GLY 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2aje n THR 33 N -1.80 0.00 -1.30 2.61 -1.04 -1.26 -4.73 114.28 106.75 2aje n THR 33 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2aje n THR 33 Cb 0.00 -0.08 -0.00 0.00 -1.82 0.00 0.00 70.33 68.42 2aje n THR 33 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2aje n GLY 34 N -0.35 0.07 2.01 3.41 0.00 -1.26 -4.63 105.19 104.44 2aje n GLY 34 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2aje n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2aje n ARG 35 N 0.00 -2.00 -0.11 1.61 1.85 -1.26 -4.78 116.66 111.97 2aje n ARG 35 Ca -0.01 0.28 -0.06 0.00 -1.00 0.00 0.00 57.85 57.05 2aje n ARG 35 Cb 0.16 -4.63 0.02 0.00 -1.05 0.00 0.00 32.46 26.96 2aje n ARG 35 CO 0.00 0.00 0.00 -1.49 -0.01 0.00 0.00 177.63 176.13 2aje h TRP 36 N 0.00 0.25 0.00 2.89 4.06 -1.99 -0.22 115.95 120.94 2aje h TRP 36 Ca -0.12 0.02 -0.11 0.00 2.06 0.00 0.00 58.89 60.74 2aje h TRP 36 Cb 0.77 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.85 2aje h TRP 36 CO 0.53 0.11 -0.53 0.07 -3.56 0.00 0.00 178.44 175.06 2aje h ARG 37 N 0.30 0.00 0.68 0.49 0.11 -1.99 -2.24 114.38 111.74 2aje h ARG 37 Ca 0.16 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.21 2aje h ARG 37 Cb 0.12 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.21 2aje h ARG 37 CO -0.16 0.53 -0.33 -0.44 0.10 0.00 0.00 179.97 179.68 2aje h ASP 38 N 0.00 -0.78 -0.08 0.08 5.19 -1.69 -2.26 116.42 116.89 2aje h ASP 38 Ca -0.01 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.45 2aje h ASP 38 Cb 1.01 0.20 -0.00 0.00 0.18 0.00 0.00 39.33 40.72 2aje h ASP 38 CO 0.07 -0.39 0.06 -0.37 -3.12 0.00 0.00 179.24 175.49 2aje h VAL 39 N -1.25 0.84 0.04 -1.35 -1.51 -1.14 0.96 116.25 112.85 2aje h VAL 39 Ca -0.09 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2aje h VAL 39 Cb 0.70 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 2aje h VAL 39 CO 0.15 0.00 -0.02 0.11 -1.23 0.00 0.00 177.57 176.59 2aje h LYS 40 N 0.00 -0.05 -0.26 5.19 1.79 -1.27 -2.59 116.57 119.39 2aje h LYS 40 Ca 0.04 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 2aje h LYS 40 Cb 0.16 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 2aje h LYS 40 CO -0.00 0.06 -0.05 1.28 -1.08 0.00 0.00 179.45 179.66 2aje n LEU 41 N -5.07 3.75 -0.07 2.94 4.77 -0.86 -4.16 117.00 118.30 2aje n LEU 41 Ca -0.08 -3.37 -0.08 0.00 -0.03 0.00 0.00 56.01 52.46 2aje n LEU 41 Cb 0.09 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 40.61 2aje n LEU 41 CO 0.33 0.94 0.92 0.00 -1.33 0.00 0.00 177.39 178.25 2aje n ALA 43 N -2.30 0.00 -1.47 0.00 0.00 -1.26 -3.67 120.51 111.81 2aje n ALA 43 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 2aje n ALA 43 Cb 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 2aje n ALA 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2aje n PHE 44 N 0.00 -0.03 -0.07 0.00 3.72 -1.26 -4.88 117.46 114.93 2aje n PHE 44 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 2aje n PHE 44 Cb 0.00 -2.64 -0.07 0.00 -0.94 0.00 0.00 39.48 35.83 2aje n PHE 44 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2aje h GLU 45 N 0.00 0.00 -0.15 -1.08 4.57 -1.88 -3.40 114.58 112.64 2aje h GLU 45 Ca -0.31 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 2aje h GLU 45 Cb 0.98 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.57 2aje h GLU 45 CO 0.44 0.52 -0.01 -0.25 -1.18 0.00 0.00 179.01 178.53 2aje n ASP 46 N -4.60 3.17 0.00 1.04 9.92 -1.23 -4.65 116.55 120.20 2aje n ASP 46 Ca -0.13 -3.09 0.02 0.00 -0.53 0.00 0.00 54.79 51.06 2aje n ASP 46 Cb 0.37 -0.50 0.11 0.00 -0.64 0.00 0.00 41.12 40.46 2aje n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2aje n ALA 47 N -0.93 1.40 0.21 2.24 0.00 -0.98 -0.95 120.51 121.50 2aje n ALA 47 Ca 0.20 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.69 2aje n ALA 47 Cb 0.79 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 19.06 2aje n ALA 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2aje n ASP 48 N -1.29 1.22 -2.39 0.00 2.03 -1.26 -4.90 116.55 109.95 2aje n ASP 48 Ca 0.02 -0.26 -0.02 0.00 0.52 0.00 0.00 54.79 55.05 2aje n ASP 48 Cb 0.04 1.50 -0.02 0.00 -0.72 0.00 0.00 41.12 41.91 2aje n ASP 48 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2aje n HIS 49 N -1.83 -4.49 -0.07 -0.67 8.25 -0.13 -5.00 115.22 111.28 2aje n HIS 49 Ca -0.01 2.65 -0.08 0.00 -0.26 0.00 0.00 57.72 60.02 2aje n HIS 49 Cb 0.35 -3.79 -0.05 0.00 1.12 0.00 0.00 29.99 27.63 2aje n HIS 49 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2aje h ARG 50 N 4.00 0.00 -2.95 -0.41 2.43 -1.96 -3.50 114.38 111.99 2aje h ARG 50 Ca -0.24 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 2aje h ARG 50 Cb 0.53 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 29.94 2aje h ARG 50 CO 0.00 0.33 0.04 0.99 -1.51 0.00 0.00 179.97 179.82 2aje s THR 51 N -2.06 0.03 0.15 0.20 2.01 -1.26 -5.02 115.64 109.70 2aje s THR 51 Ca -0.14 -0.28 -0.15 0.00 0.31 0.00 0.00 61.69 61.43 2aje s THR 51 Cb 0.01 -1.02 0.03 0.00 0.01 0.00 0.00 72.50 71.53 2aje s THR 51 CO 0.29 -0.16 1.76 0.10 -0.69 0.00 0.00 174.62 175.93 2aje h TYR 52 N 2.56 0.64 0.00 4.92 -0.00 -1.99 0.11 116.97 123.22 2aje h TYR 52 Ca -0.32 -0.01 -0.22 0.00 -0.00 0.00 0.00 58.73 58.17 2aje h TYR 52 Cb 1.24 -0.20 0.02 0.00 -0.00 0.00 0.00 36.73 37.78 2aje h TYR 52 CO 0.33 0.48 -0.87 0.28 -0.00 0.00 0.00 178.16 178.38 2aje h VAL 53 N 0.61 1.34 -0.75 -0.90 2.07 -1.97 -2.27 116.25 114.38 2aje h VAL 53 Ca 0.16 -2.18 0.06 0.00 0.82 0.00 0.00 66.70 65.56 2aje h VAL 53 Cb 0.05 2.49 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 2aje h VAL 53 CO -0.03 0.66 0.44 0.44 0.02 0.00 0.00 177.57 179.11 2aje h ASP 54 N 0.18 0.68 -0.67 0.57 5.19 -1.93 0.41 116.42 120.85 2aje h ASP 54 Ca -0.11 0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.25 2aje h ASP 54 Cb 1.55 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.91 2aje h ASP 54 CO 0.17 0.44 0.14 0.25 -3.12 0.00 0.00 179.24 177.12 2aje h LEU 55 N 0.81 1.04 -1.73 1.55 6.46 -0.82 -1.53 115.31 121.10 2aje h LEU 55 Ca 0.33 -0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 2aje h LEU 55 Cb 0.17 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.83 2aje h LEU 55 CO -0.18 1.01 -0.08 0.50 -0.62 0.00 0.00 178.44 179.07 2aje h LYS 56 N 1.02 0.00 -0.05 1.25 1.63 -0.52 -2.26 116.57 117.63 2aje h LYS 56 Ca 0.21 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.78 2aje h LYS 56 Cb 0.39 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.03 2aje h LYS 56 CO 0.01 0.08 -0.90 -0.44 -3.45 0.00 0.00 179.45 174.76 2aje h ASP 57 N 0.00 0.76 0.01 4.20 3.32 0.75 -0.08 116.42 125.38 2aje h ASP 57 Ca -0.00 -0.56 -0.08 0.00 0.02 0.00 0.00 57.03 56.42 2aje h ASP 57 Cb 0.44 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2aje h ASP 57 CO 0.01 1.35 -0.21 0.11 -1.72 0.00 0.00 179.24 178.77 2aje h LYS 58 N 0.37 0.36 -0.00 3.56 1.79 -0.84 0.10 116.57 121.91 2aje h LYS 58 Ca -0.08 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 2aje h LYS 58 Cb 1.52 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.14 2aje h LYS 58 CO 0.17 0.56 -0.08 2.35 -1.08 0.00 0.00 179.45 181.36 2aje h TRP 59 N 0.32 0.09 -0.89 -1.35 2.91 -1.40 -1.32 115.95 114.31 2aje h TRP 59 Ca 0.05 -0.05 0.02 0.00 1.13 0.00 0.00 58.89 60.05 2aje h TRP 59 Cb 0.56 -0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 29.15 2aje h TRP 59 CO 0.01 0.81 0.59 -0.22 -1.03 0.00 0.00 178.44 178.60 2aje h LYS 60 N -0.65 1.13 0.00 2.65 3.11 -0.90 -1.33 116.57 120.57 2aje h LYS 60 Ca -0.01 -0.07 -0.12 0.00 -2.81 0.00 0.00 60.65 57.64 2aje h LYS 60 Cb 0.83 -0.25 -0.02 0.00 -1.00 0.00 0.00 32.23 31.79 2aje h LYS 60 CO 0.02 0.75 -0.58 1.15 -2.81 0.00 0.00 179.45 177.97 2aje h THR 61 N 1.16 1.15 -0.64 1.00 2.02 -0.85 -1.07 112.91 115.68 2aje h THR 61 Ca 0.34 -2.21 -0.07 0.00 0.77 0.00 0.00 66.41 65.24 2aje h THR 61 Cb -0.06 2.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 2aje h THR 61 CO -0.09 0.57 0.13 0.25 0.37 0.00 0.00 175.52 176.75 2aje h LEU 62 N 0.00 0.98 0.17 2.58 6.46 -0.11 -0.60 115.31 124.78 2aje h LEU 62 Ca -0.01 -0.21 -0.29 0.00 -0.12 0.00 0.00 57.88 57.26 2aje h LEU 62 Cb 1.25 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 40.93 2aje h LEU 62 CO 0.08 0.95 -1.39 -0.37 -0.62 0.00 0.00 178.44 177.09 2aje h VAL 63 N 0.97 1.16 -0.95 1.05 -1.51 -1.37 -2.92 116.25 112.68 2aje h VAL 63 Ca 0.20 -2.52 0.11 0.00 -1.23 0.00 0.00 66.70 63.26 2aje h VAL 63 Cb 0.38 2.90 -0.08 0.00 -2.13 0.00 0.00 31.29 32.36 2aje h VAL 63 CO 0.01 0.77 0.58 -0.74 -1.23 0.00 0.00 177.57 176.96 2aje h HIS 64 N -0.12 1.06 0.00 5.19 -0.00 -1.14 -0.42 115.15 119.71 2aje h HIS 64 Ca -0.27 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.13 2aje h HIS 64 Cb 1.90 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 28.98 2aje h HIS 64 CO 0.14 0.44 -0.10 1.15 -0.00 0.00 0.00 177.93 179.55 2aje h THR 65 N 0.95 0.00 0.00 6.26 2.02 -1.22 -3.33 112.91 117.59 2aje h THR 65 Ca 0.46 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.76 2aje h THR 65 Cb 0.42 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2aje h THR 65 CO -0.25 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.64 2aje n ALA 66 N -2.04 -0.12 -1.84 6.16 0.00 -0.17 -4.78 120.51 117.73 2aje n ALA 66 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 2aje n ALA 66 Cb 0.51 0.11 -0.00 0.00 0.00 0.00 0.00 19.45 20.06 2aje n ALA 66 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2aje n LYS 67 N -1.23 0.00 0.26 0.00 2.85 -1.24 -4.94 118.16 113.86 2aje n LYS 67 Ca 0.00 -0.05 0.10 0.00 -1.05 0.00 0.00 58.31 57.30 2aje n LYS 67 Cb 0.00 0.03 0.70 0.00 -0.65 0.00 0.00 35.03 35.11 2aje n LYS 67 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 2aje h ILE 68 N 4.15 0.87 -6.60 0.58 1.08 -1.69 -3.47 117.51 112.45 2aje h ILE 68 Ca -0.03 -0.13 -0.52 0.00 -0.39 0.00 0.00 64.86 63.79 2aje h ILE 68 Cb 0.86 1.07 0.02 0.00 -3.07 0.00 0.00 36.82 35.70 2aje h ILE 68 CO -0.02 0.03 -0.97 -1.20 -0.69 0.00 0.00 178.15 175.31 2aje n SER 69 N -4.28 -4.27 -0.04 1.72 7.64 -1.26 -4.92 113.62 108.21 2aje n SER 69 Ca -0.03 -1.16 -0.15 0.00 1.01 0.00 0.00 58.87 58.55 2aje n SER 69 Cb 0.12 -2.52 -0.13 0.00 -1.01 0.00 0.00 64.21 60.67 2aje n SER 69 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2aje h PRO 70 N -2.24 0.07 0.00 1.43 0.13 -1.90 -3.33 132.00 126.17 2aje h PRO 70 Ca -0.69 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 2aje h PRO 70 Cb 1.38 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.55 2aje h PRO 70 CO 0.51 0.97 -0.12 0.00 -0.23 0.00 0.00 178.00 179.14 2aje n GLN 71 N -4.55 0.25 0.30 0.86 10.64 -1.26 -3.38 117.38 120.25 2aje n GLN 71 Ca -0.10 0.18 0.19 0.00 -1.83 0.00 0.00 57.00 55.44 2aje n GLN 71 Cb 0.51 -1.77 0.90 0.00 -0.86 0.00 0.00 30.24 29.03 2aje n GLN 71 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 2aje h GLN 72 N 0.00 0.00 -4.79 2.61 1.08 -1.95 -3.39 115.11 108.67 2aje h GLN 72 Ca 0.00 0.00 -0.68 0.00 -1.45 0.00 0.00 58.65 56.52 2aje h GLN 72 Cb 0.73 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 27.92 2aje h GLN 72 CO 0.00 0.01 -0.58 1.03 -0.95 0.00 0.00 178.83 178.35 2aje s ARG 73 N -3.91 3.26 -0.13 1.46 1.81 -1.22 -5.07 118.95 115.16 2aje s ARG 73 Ca -0.02 -0.76 -0.29 0.00 -1.72 0.00 0.00 55.73 52.93 2aje s ARG 73 Cb 0.11 -3.51 -0.01 0.00 -0.45 0.00 0.00 34.95 31.09 2aje s ARG 73 CO 0.50 -0.43 1.08 1.03 -0.68 0.00 0.00 175.30 176.80 2aje s ARG 74 N 1.58 4.35 0.00 3.54 1.81 -1.26 -4.47 118.95 124.50 2aje s ARG 74 Ca 0.04 1.47 0.00 0.00 -1.72 0.00 0.00 55.73 55.52 2aje s ARG 74 Cb -0.17 -3.59 0.00 0.00 -0.45 0.00 0.00 34.95 30.74 2aje s ARG 74 CO 0.05 -0.45 0.00 0.41 -0.68 0.00 0.00 175.30 174.63 2aje n GLY 75 N 3.25 0.25 3.53 -3.53 0.00 -1.26 -5.17 105.19 102.26 2aje n GLY 75 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 2aje n GLY 75 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2aje s GLU 76 N 0.00 0.96 0.00 1.61 -1.05 -1.26 -5.11 118.70 113.85 2aje s GLU 76 Ca 0.00 0.26 0.00 0.00 -0.15 0.00 0.00 54.97 55.08 2aje s GLU 76 Cb 0.00 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 2aje s GLU 76 CO 0.00 -0.30 0.32 -2.30 0.95 0.00 0.00 175.26 173.94 2aje n PRO 77 N 0.92 0.00 -4.24 -4.83 -0.02 -1.26 -4.96 135.00 120.61 2aje n PRO 77 Ca -0.17 0.25 -0.21 0.00 -2.02 0.00 0.00 63.50 61.35 2aje n PRO 77 Cb 0.57 -0.96 -0.12 0.00 -0.02 0.00 0.00 33.50 32.97 2aje n PRO 77 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2aje s VAL 78 N -1.14 1.44 -0.64 -1.45 -7.23 -1.26 -5.09 120.40 105.04 2aje s VAL 78 Ca 0.00 -1.51 -0.27 0.00 -1.81 0.00 0.00 61.98 58.40 2aje s VAL 78 Cb 0.00 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.54 2aje s VAL 78 CO 0.00 -0.19 1.73 -2.16 -0.31 0.00 0.00 175.10 174.17 2aje s PRO 79 N -2.01 2.76 -0.06 4.82 0.04 -1.26 -4.78 135.00 134.51 2aje s PRO 79 Ca 0.04 0.42 0.18 0.00 0.04 0.00 0.00 61.00 61.69 2aje s PRO 79 Cb -0.09 -4.34 -0.23 0.00 0.04 0.00 0.00 34.50 29.88 2aje s PRO 79 CO 0.03 -2.59 0.46 1.04 0.04 0.00 0.00 177.00 175.99 2aje n GLN 80 N 9.22 0.66 -0.33 4.56 6.02 -1.26 -4.32 117.38 131.93 2aje n GLN 80 Ca 0.16 0.03 0.17 0.00 -0.01 0.00 0.00 57.00 57.36 2aje n GLN 80 Cb 0.51 -1.63 0.41 0.00 1.02 0.00 0.00 30.24 30.56 2aje n GLN 80 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2aje h GLU 81 N 0.00 0.56 0.67 -1.09 5.08 -1.99 0.16 114.58 117.97 2aje h GLU 81 Ca -0.26 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 2aje h GLU 81 Cb 1.69 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.82 2aje h GLU 81 CO 0.03 0.37 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.02 2aje h LEU 82 N 0.58 -0.76 -2.48 1.33 3.38 -1.96 -2.17 115.31 113.23 2aje h LEU 82 Ca 0.58 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.58 2aje h LEU 82 Cb 1.17 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 2aje h LEU 82 CO -0.34 -0.38 0.05 -0.07 0.09 0.00 0.00 178.44 177.80 2aje h LEU 83 N -1.24 0.00 0.05 1.67 3.38 -1.67 -0.51 115.31 117.00 2aje h LEU 83 Ca -0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2aje h LEU 83 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2aje h LEU 83 CO 0.15 0.00 -0.02 -1.13 0.09 0.00 0.00 178.44 177.53 2aje h ASN 84 N 0.00 -0.06 1.27 -0.43 -0.73 -0.59 -2.13 115.58 112.92 2aje h ASN 84 Ca 0.02 -0.47 -0.00 0.00 1.87 0.00 0.00 56.30 57.72 2aje h ASN 84 Cb 0.12 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 38.72 2aje h ASN 84 CO -0.00 0.46 -0.00 0.08 -0.37 0.00 0.00 177.43 177.60 2aje h ARG 85 N -0.59 0.00 0.20 6.67 0.11 -0.78 -2.21 114.38 117.78 2aje h ARG 85 Ca -0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 2aje h ARG 85 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 2aje h ARG 85 CO 0.01 0.00 -0.10 0.28 0.10 0.00 0.00 179.97 180.27 2aje h VAL 86 N 0.00 0.00 0.00 0.08 2.07 -1.08 -1.81 116.25 115.51 2aje h VAL 86 Ca -0.00 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 2aje h VAL 86 Cb 0.64 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2aje h VAL 86 CO 0.00 0.00 -0.07 -0.07 0.02 0.00 0.00 177.57 177.45 2aje h LEU 87 N -0.86 0.00 0.06 2.57 4.07 -1.46 -1.26 115.31 118.44 2aje h LEU 87 Ca -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 2aje h LEU 87 Cb 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2aje h LEU 87 CO 0.05 0.07 -0.03 -1.13 -1.08 0.00 0.00 178.44 176.32 2aje h ASN 88 N 0.00 -0.07 -0.17 -0.43 -0.73 -1.48 -1.82 115.58 110.89 2aje h ASN 88 Ca -0.00 -0.53 0.00 0.00 1.87 0.00 0.00 56.30 57.64 2aje h ASN 88 Cb 0.18 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.78 2aje h ASN 88 CO 0.01 0.54 0.11 0.00 -0.37 0.00 0.00 177.43 177.71 2aje h ALA 89 N 0.12 0.21 0.57 1.57 0.00 -1.01 0.10 119.26 120.82 2aje h ALA 89 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2aje h ALA 89 Cb 0.60 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2aje h ALA 89 CO 0.01 -0.30 -0.28 1.25 0.00 0.00 0.00 179.25 179.93 2aje h HIS 90 N 0.22 -0.71 -0.56 0.00 -0.00 -1.34 -2.01 115.15 110.75 2aje h HIS 90 Ca 0.06 -0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.51 2aje h HIS 90 Cb -0.02 0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.60 2aje h HIS 90 CO -0.06 -0.44 0.38 0.78 -0.00 0.00 0.00 177.93 178.58 2aje h GLY 91 N -0.77 0.50 0.98 5.26 0.00 -1.26 -1.30 103.07 106.47 2aje h GLY 91 Ca -0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 2aje h GLY 91 CO 0.13 0.09 0.23 -1.82 0.00 0.00 0.00 176.54 175.17 2aje h TYR 92 N 0.36 0.84 0.86 5.60 3.20 -0.31 0.32 116.97 127.84 2aje h TYR 92 Ca 0.26 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 2aje h TYR 92 Cb 0.53 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 38.56 2aje h TYR 92 CO -0.00 0.67 -0.42 -1.49 -1.64 0.00 0.00 178.16 175.28 2aje h TRP 93 N 0.76 -1.09 -0.32 -3.82 6.55 -0.53 0.63 115.95 118.13 2aje h TRP 93 Ca 0.19 -0.02 -0.05 0.00 0.95 0.00 0.00 58.89 59.95 2aje h TRP 93 Cb 0.18 0.36 -0.02 0.00 -0.86 0.00 0.00 29.16 28.83 2aje h TRP 93 CO 0.01 -0.67 -0.01 1.79 -1.05 0.00 0.00 178.44 178.51 2aje h THR 94 N -1.17 1.19 0.00 1.49 1.35 -1.44 -0.87 112.91 113.46 2aje h THR 94 Ca -0.12 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 2aje h THR 94 Cb 0.90 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 2aje h THR 94 CO 0.19 0.26 -0.17 1.56 -0.25 0.00 0.00 175.52 177.11 2aje h GLN 95 N 0.47 0.00 0.00 4.72 4.20 -0.27 -3.35 115.11 120.88 2aje h GLN 95 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2aje h GLN 95 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2aje h GLN 95 CO 0.01 0.00 0.02 0.37 -0.67 0.00 0.00 178.83 178.56 2aje h GLN 96 N -0.64 0.00 -5.47 1.46 5.75 0.15 -3.46 115.11 112.91 2aje h GLN 96 Ca 0.00 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.24 2aje h GLN 96 Cb 0.17 0.00 0.20 0.00 1.07 0.00 0.00 27.48 28.91 2aje h GLN 96 CO 0.00 0.00 -0.84 1.04 -2.65 0.00 0.00 178.83 176.38 2aje n GLN 97 N -2.38 -2.84 -1.66 1.69 1.13 -0.35 -2.08 117.38 110.87 2aje n GLN 97 Ca -0.02 0.86 -0.14 0.00 -1.94 0.00 0.00 57.00 55.77 2aje n GLN 97 Cb 0.05 -5.83 -0.05 0.00 0.11 0.00 0.00 30.24 24.53 2aje n GLN 97 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 2aje n MET 98 N -3.35 -1.51 0.00 -1.09 2.81 -1.09 -2.52 117.12 110.38 2aje n MET 98 Ca -0.10 0.79 0.00 0.00 -1.81 0.00 0.00 57.70 56.58 2aje n MET 98 Cb 0.63 -5.13 0.00 0.00 -0.71 0.00 0.00 33.22 28.00 2aje n MET 98 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2aje n GLN 99 N -2.15 0.00 -3.75 0.03 7.27 -0.89 -4.80 117.38 113.10 2aje n GLN 99 Ca -0.15 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.79 2aje n GLN 99 Cb 0.50 -0.08 -0.08 0.00 2.41 0.00 0.00 30.24 32.98 2aje n GLN 99 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2aje s GLN 100 N 0.00 0.71 0.00 3.69 -1.52 -1.05 -5.03 119.66 116.47 2aje s GLN 100 Ca 0.00 -0.21 0.29 0.00 -1.95 0.00 0.00 55.36 53.49 2aje s GLN 100 Cb 0.00 0.32 1.36 0.00 -0.22 0.00 0.00 33.01 34.47 2aje s GLN 100 CO 0.00 -0.20 1.96 1.47 -0.25 0.00 0.00 175.29 178.26 2aje n LEU 101 N 1.14 0.17 -3.93 2.90 -0.00 -1.26 -4.77 117.00 111.26 2aje n LEU 101 Ca -0.21 0.21 -0.17 0.00 -0.00 0.00 0.00 56.01 55.84 2aje n LEU 101 Cb 0.57 -0.27 -0.15 0.00 -0.00 0.00 0.00 43.42 43.56 2aje n LEU 101 CO 0.22 0.03 -0.40 -1.58 -0.00 0.00 0.00 177.39 175.66 2aje s GLN 102 N -2.60 0.47 -0.30 1.47 0.74 -1.26 -4.97 119.66 113.20 2aje s GLN 102 Ca 0.26 -0.14 -0.04 0.00 0.05 0.00 0.00 55.36 55.50 2aje s GLN 102 Cb 0.20 -0.49 0.01 0.00 1.10 0.00 0.00 33.01 33.83 2aje s GLN 102 CO 0.48 0.05 0.12 1.04 -0.55 0.00 0.00 175.29 176.43 2aje n GLN 103 N 3.30 -2.94 -2.76 1.67 6.02 -1.26 -4.88 117.38 116.53 2aje n GLN 103 Ca -0.17 2.44 -0.43 0.00 -0.01 0.00 0.00 57.00 58.83 2aje n GLN 103 Cb 0.56 -4.89 0.00 0.00 1.02 0.00 0.00 30.24 26.94 2aje n GLN 103 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2aje n ASN 104 N 0.58 5.53 0.00 1.08 3.02 -1.26 -4.85 115.26 119.35 2aje n ASN 104 Ca 0.02 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.41 2aje n ASN 104 Cb 0.15 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 37.89 2aje n ASN 104 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16