#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1egr s GLN 2 N 0.00 3.00 -0.24 0.03 -0.21 -1.26 -3.24 119.66 117.74 1egr s GLN 2 Ca 0.00 -0.87 -0.05 0.00 0.02 0.00 0.00 55.36 54.46 1egr s GLN 2 Cb 0.00 -3.03 -0.01 0.00 1.00 0.00 0.00 33.01 30.98 1egr s GLN 2 CO 0.00 -0.35 -0.01 0.99 -2.12 0.00 0.00 175.29 173.80 1egr s THR 3 N 1.38 3.56 -0.08 -0.19 2.01 -0.47 -0.28 115.64 121.56 1egr s THR 3 Ca 0.02 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.54 1egr s THR 3 Cb -0.16 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 1egr s THR 3 CO -0.04 0.35 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.41 1egr s VAL 4 N 1.49 2.98 -0.19 3.82 1.01 0.07 0.22 120.40 129.80 1egr s VAL 4 Ca 0.05 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1egr s VAL 4 Cb -0.15 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1egr s VAL 4 CO -0.02 0.56 -0.09 -0.63 0.00 0.00 0.00 175.10 174.93 1egr s ILE 5 N -0.25 3.14 -0.63 2.22 1.09 0.04 -0.61 121.20 126.21 1egr s ILE 5 Ca 0.01 -0.59 -0.06 0.00 -1.10 0.00 0.00 60.65 58.91 1egr s ILE 5 Cb -0.13 -2.38 0.16 0.00 -1.06 0.00 0.00 42.46 39.05 1egr s ILE 5 CO 0.03 0.47 0.48 -0.36 -0.10 0.00 0.00 174.94 175.46 1egr s PHE 6 N 1.08 3.50 0.10 3.97 0.08 0.90 -1.40 117.98 126.21 1egr s PHE 6 Ca 0.00 -2.40 0.00 0.00 0.12 0.00 0.00 56.93 54.65 1egr s PHE 6 Cb -0.15 -3.38 0.00 0.00 -0.57 0.00 0.00 43.02 38.92 1egr s PHE 6 CO -0.02 -0.91 0.02 0.41 -0.10 0.00 0.00 175.22 174.63 1egr n GLY 7 N 3.89 3.76 4.00 4.36 0.00 -1.09 -0.22 105.19 119.90 1egr n GLY 7 Ca 0.06 -2.23 -0.21 0.00 0.00 0.00 0.00 46.02 43.64 1egr n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1egr s ARG 8 N -2.37 2.25 -0.57 1.61 1.70 -1.26 -3.06 118.95 117.24 1egr s ARG 8 Ca 0.02 -1.16 -0.22 0.00 -0.47 0.00 0.00 55.73 53.89 1egr s ARG 8 Cb -0.00 -2.52 -0.23 0.00 -0.57 0.00 0.00 34.95 31.64 1egr s ARG 8 CO 0.01 -0.92 1.71 -1.13 -1.08 0.00 0.00 175.30 173.89 1egr n SER 9 N -2.40 0.60 -0.22 -2.89 3.41 -1.26 -2.49 113.62 108.37 1egr n SER 9 Ca 0.12 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 1egr n SER 9 Cb 0.60 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 1egr n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1egr n GLY 10 N 5.42 0.60 3.12 5.00 0.00 -1.26 -5.06 105.19 113.01 1egr n GLY 10 Ca 0.34 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1egr n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1egr h PRO 12 N 7.55 0.00 -0.10 0.00 0.13 -1.97 0.39 132.00 138.01 1egr h PRO 12 Ca -0.07 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.95 1egr h PRO 12 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1egr h PRO 12 CO 0.72 0.00 -0.36 1.88 -0.23 0.00 0.00 178.00 180.02 1egr h TYR 13 N 0.00 0.54 -1.00 1.56 -1.99 -1.95 -3.09 116.97 111.05 1egr h TYR 13 Ca 0.16 -0.23 0.12 0.00 2.00 0.00 0.00 58.73 60.78 1egr h TYR 13 Cb 2.19 -0.09 -0.08 0.00 2.00 0.00 0.00 36.73 40.75 1egr h TYR 13 CO 0.00 0.97 0.63 0.00 -0.00 0.00 0.00 178.16 179.76 1egr h VAL 15 N 1.00 0.22 0.10 0.00 2.07 -1.51 0.43 116.25 118.55 1egr h VAL 15 Ca 0.49 -0.06 -0.18 0.00 0.82 0.00 0.00 66.70 67.77 1egr h VAL 15 Cb 0.47 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1egr h VAL 15 CO -0.25 0.03 -0.88 0.03 0.02 0.00 0.00 177.57 176.52 1egr h ARG 16 N 0.17 0.21 -0.67 1.57 2.47 -1.17 -1.12 114.38 115.84 1egr h ARG 16 Ca 0.76 -0.36 0.13 0.00 -1.26 0.00 0.00 59.98 59.25 1egr h ARG 16 Cb 2.25 0.13 -0.10 0.00 -1.65 0.00 0.00 29.97 30.61 1egr h ARG 16 CO -0.42 1.17 0.17 0.00 0.56 0.00 0.00 179.97 181.45 1egr h ALA 17 N -0.01 0.85 0.66 0.04 0.00 -0.91 0.19 119.26 120.08 1egr h ALA 17 Ca -0.18 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1egr h ALA 17 Cb 1.54 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1egr h ALA 17 CO 0.07 -0.30 -0.49 -0.22 0.00 0.00 0.00 179.25 178.32 1egr h LYS 18 N 0.30 -1.06 -0.39 0.00 3.11 -0.29 0.17 116.57 118.40 1egr h LYS 18 Ca 0.36 0.07 0.08 0.00 -2.81 0.00 0.00 60.65 58.36 1egr h LYS 18 Cb 0.57 0.24 -0.09 0.00 -1.00 0.00 0.00 32.23 31.95 1egr h LYS 18 CO -0.44 -0.71 -0.31 -0.44 -2.81 0.00 0.00 179.45 174.75 1egr h ASP 19 N -1.10 -1.02 0.42 4.20 5.19 0.01 0.60 116.42 124.72 1egr h ASP 19 Ca -0.08 0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1egr h ASP 19 Cb 0.91 0.48 -0.02 0.00 0.18 0.00 0.00 39.33 40.88 1egr h ASP 19 CO 0.03 -0.31 -0.47 0.25 -3.12 0.00 0.00 179.24 175.62 1egr h LEU 20 N -0.24 -1.31 -0.78 1.55 5.85 -0.47 0.91 115.31 120.83 1egr h LEU 20 Ca 0.18 0.11 0.07 0.00 0.84 0.00 0.00 57.88 59.08 1egr h LEU 20 Cb 0.52 0.44 -0.06 0.00 0.37 0.00 0.00 40.66 41.93 1egr h LEU 20 CO -0.53 -0.61 0.45 0.00 -0.34 0.00 0.00 178.44 177.42 1egr h ALA 21 N -0.93 1.08 -0.23 1.25 0.00 -0.30 -1.77 119.26 118.35 1egr h ALA 21 Ca -0.05 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1egr h ALA 21 Cb 0.80 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1egr h ALA 21 CO -0.08 0.12 -0.01 1.49 0.00 0.00 0.00 179.25 180.77 1egr h GLU 22 N 0.80 0.05 0.00 0.00 4.81 0.64 0.49 114.58 121.37 1egr h GLU 22 Ca 0.36 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.60 1egr h GLU 22 Cb 0.25 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1egr h GLU 22 CO -0.21 0.03 -0.46 -0.22 -0.73 0.00 0.00 179.01 177.43 1egr h LYS 23 N 0.05 -0.55 -0.06 1.92 1.63 0.04 0.13 116.57 119.74 1egr h LYS 23 Ca 0.11 0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.98 1egr h LYS 23 Cb 0.14 0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 31.84 1egr h LYS 23 CO -0.19 -0.37 -0.44 -0.07 -3.45 0.00 0.00 179.45 174.93 1egr h LEU 24 N -0.58 -1.35 -0.73 5.20 3.38 -1.03 0.44 115.31 120.63 1egr h LEU 24 Ca 0.01 0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.33 1egr h LEU 24 Cb 0.61 0.53 -0.14 0.00 0.09 0.00 0.00 40.66 41.76 1egr h LEU 24 CO -0.30 -0.45 -0.06 -0.24 0.09 0.00 0.00 178.44 177.48 1egr n SER 25 N -5.45 -0.15 0.02 -0.43 2.88 0.17 0.18 113.62 110.85 1egr n SER 25 Ca -0.05 1.25 -0.09 0.00 -1.33 0.00 0.00 58.87 58.64 1egr n SER 25 Cb 0.37 -0.43 -0.13 0.00 -0.75 0.00 0.00 64.21 63.27 1egr n SER 25 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1egr h ASN 26 N 0.00 0.04 0.29 -3.46 -0.00 0.86 -2.22 115.58 111.10 1egr h ASN 26 Ca 0.41 -0.07 -0.12 0.00 -0.00 0.00 0.00 56.30 56.52 1egr h ASN 26 Cb 0.78 -0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 39.07 1egr h ASN 26 CO -0.71 1.06 -0.48 -0.33 -0.00 0.00 0.00 177.43 176.97 1egr h GLU 27 N 0.01 0.23 -0.38 6.67 5.08 0.41 -3.32 114.58 123.28 1egr h GLU 27 Ca -0.17 -0.12 -0.27 0.00 -1.00 0.00 0.00 59.36 57.80 1egr h GLU 27 Cb 1.92 0.01 -0.38 0.00 0.50 0.00 0.00 28.75 30.79 1egr h GLU 27 CO 0.11 0.66 -1.02 2.89 -1.00 0.00 0.00 179.01 180.65 1egr n ARG 28 N -3.97 1.71 -3.47 2.33 0.00 0.13 -5.03 116.66 108.35 1egr n ARG 28 Ca -0.02 -3.32 -0.16 0.00 -0.00 0.00 0.00 57.85 54.36 1egr n ARG 28 Cb 0.53 -1.41 -0.03 0.00 -0.00 0.00 0.00 32.46 31.54 1egr n ARG 28 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1egr n ASP 29 N -0.44 -0.19 0.00 2.89 8.00 -0.84 -4.51 116.55 121.47 1egr n ASP 29 Ca 0.14 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 55.07 1egr n ASP 29 Cb 0.89 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1egr n ASP 29 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1egr n ASP 30 N -0.91 0.00 -3.71 -2.24 2.03 -1.19 -4.97 116.55 105.56 1egr n ASP 30 Ca -0.12 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.77 1egr n ASP 30 Cb 0.29 0.20 -0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1egr n ASP 30 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1egr n PHE 31 N -2.03 3.35 -2.99 -0.67 7.35 -1.26 0.51 117.46 121.71 1egr n PHE 31 Ca 0.00 -2.96 -0.35 0.00 -0.76 0.00 0.00 57.45 53.38 1egr n PHE 31 Cb 0.00 -2.46 -0.06 0.00 0.35 0.00 0.00 39.48 37.30 1egr n PHE 31 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 1egr s GLN 32 N 2.68 4.25 0.30 -4.13 1.11 -1.20 -2.91 119.66 119.76 1egr s GLN 32 Ca 0.48 0.96 0.11 0.00 0.01 0.00 0.00 55.36 56.92 1egr s GLN 32 Cb 0.14 -2.61 -0.05 0.00 -1.01 0.00 0.00 33.01 29.48 1egr s GLN 32 CO -0.08 0.22 -0.15 1.52 0.01 0.00 0.00 175.29 176.82 1egr s TYR 33 N -1.79 2.36 -0.03 0.91 -0.85 -1.26 -1.37 117.35 115.31 1egr s TYR 33 Ca 0.51 -0.38 0.03 0.00 -0.52 0.00 0.00 57.07 56.71 1egr s TYR 33 Cb -0.14 -1.14 -0.00 0.00 0.38 0.00 0.00 41.96 41.06 1egr s TYR 33 CO 0.19 0.66 -0.12 -0.65 -1.52 0.00 0.00 175.55 174.11 1egr s GLN 34 N -3.56 1.26 -0.23 -3.49 1.11 0.13 -4.91 119.66 109.98 1egr s GLN 34 Ca 0.31 -0.43 -0.03 0.00 0.01 0.00 0.00 55.36 55.22 1egr s GLN 34 Cb -0.03 -1.14 0.01 0.00 -1.01 0.00 0.00 33.01 30.84 1egr s GLN 34 CO 0.16 0.18 -0.06 -0.47 0.01 0.00 0.00 175.29 175.11 1egr s TYR 35 N 0.09 2.99 0.08 0.91 5.04 -1.26 -0.78 117.35 124.42 1egr s TYR 35 Ca -0.02 -1.23 0.09 0.00 -2.44 0.00 0.00 57.07 53.46 1egr s TYR 35 Cb -0.09 -2.08 -0.03 0.00 0.35 0.00 0.00 41.96 40.11 1egr s TYR 35 CO 0.01 -0.64 -0.24 0.08 -1.34 0.00 0.00 175.55 173.42 1egr s VAL 36 N 1.41 1.97 0.01 3.14 1.01 -0.49 -4.98 120.40 122.47 1egr s VAL 36 Ca 0.04 -1.46 0.06 0.00 0.00 0.00 0.00 61.98 60.62 1egr s VAL 36 Cb -0.15 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1egr s VAL 36 CO -0.04 0.18 -0.18 -0.62 0.00 0.00 0.00 175.10 174.44 1egr s ASP 37 N -1.55 3.77 0.26 3.32 2.15 -1.26 -2.66 116.67 120.70 1egr s ASP 37 Ca 0.10 -0.38 -0.03 0.00 0.43 0.00 0.00 52.55 52.67 1egr s ASP 37 Cb -0.10 -0.64 0.39 0.00 -0.30 0.00 0.00 42.92 42.28 1egr s ASP 37 CO 0.03 0.28 1.86 0.16 -0.17 0.00 0.00 175.17 177.34 1egr h ILE 38 N 4.10 1.05 0.00 4.11 3.07 -1.87 -0.34 117.51 127.62 1egr h ILE 38 Ca -0.47 -0.37 0.00 0.00 1.55 0.00 0.00 64.86 65.57 1egr h ILE 38 Cb 1.15 -0.12 0.00 0.00 -0.27 0.00 0.00 36.82 37.58 1egr h ILE 38 CO 0.48 0.20 -0.32 -1.14 -1.05 0.00 0.00 178.15 176.31 1egr n ARG 39 N -4.56 0.00 -0.09 0.16 0.00 -1.26 -1.00 116.66 109.91 1egr n ARG 39 Ca 0.15 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.78 1egr n ARG 39 Cb 0.20 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 31.04 1egr n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1egr h ALA 40 N 2.99 0.27 0.12 5.13 0.00 -1.73 -3.39 119.26 122.65 1egr h ALA 40 Ca 0.00 -1.21 -0.28 0.00 0.00 0.00 0.00 54.91 53.42 1egr h ALA 40 Cb 0.50 0.71 0.02 0.00 0.00 0.00 0.00 17.79 19.03 1egr h ALA 40 CO 0.00 0.74 -1.22 1.49 0.00 0.00 0.00 179.25 180.26 1egr h GLU 41 N -0.89 0.47 0.00 0.00 4.81 -1.21 -3.48 114.58 114.27 1egr h GLU 41 Ca -0.34 -0.67 0.00 0.00 -0.13 0.00 0.00 59.36 58.22 1egr h GLU 41 Cb 1.37 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.98 1egr h GLU 41 CO -0.17 1.29 0.00 0.41 -0.73 0.00 0.00 179.01 179.81 1egr n GLY 42 N 1.39 0.68 3.84 1.92 0.00 -0.24 -5.09 105.19 107.69 1egr n GLY 42 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1egr n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1egr s ILE 43 N -1.35 4.70 0.51 -0.61 1.01 -0.17 -5.04 121.20 120.25 1egr s ILE 43 Ca 0.00 0.99 0.06 0.00 0.00 0.00 0.00 60.65 61.70 1egr s ILE 43 Cb 0.00 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.76 1egr s ILE 43 CO 0.00 0.06 0.35 0.42 0.00 0.00 0.00 174.94 175.77 1egr s THR 44 N -1.69 1.83 0.00 2.92 -4.23 -1.26 -4.81 115.64 108.40 1egr s THR 44 Ca 0.46 -1.53 -0.24 0.00 -1.18 0.00 0.00 61.69 59.19 1egr s THR 44 Cb -0.14 -2.36 -0.15 0.00 1.34 0.00 0.00 72.50 71.20 1egr s THR 44 CO 0.19 0.00 1.08 0.11 -0.54 0.00 0.00 174.62 175.47 1egr h LYS 45 N 0.91 -0.65 -0.67 3.99 1.79 -1.98 0.15 116.57 120.11 1egr h LYS 45 Ca -0.39 0.04 0.14 0.00 -2.18 0.00 0.00 60.65 58.27 1egr h LYS 45 Cb 1.29 0.15 -0.12 0.00 -1.58 0.00 0.00 32.23 31.97 1egr h LYS 45 CO 0.60 -0.35 -0.04 0.93 -1.08 0.00 0.00 179.45 179.51 1egr h GLU 46 N -1.04 0.08 0.52 3.15 3.07 -1.98 0.45 114.58 118.82 1egr h GLU 46 Ca -0.07 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.76 1egr h GLU 46 Cb 0.60 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.50 1egr h GLU 46 CO 0.11 0.05 -0.25 0.22 -1.40 0.00 0.00 179.01 177.75 1egr h ASP 47 N 0.08 -0.59 -0.99 1.42 3.58 -1.93 0.43 116.42 118.42 1egr h ASP 47 Ca 0.35 -0.06 0.08 0.00 0.42 0.00 0.00 57.03 57.81 1egr h ASP 47 Cb 0.57 0.15 -0.07 0.00 1.72 0.00 0.00 39.33 41.70 1egr h ASP 47 CO -0.61 -0.26 0.63 -0.07 -2.88 0.00 0.00 179.24 176.05 1egr h LEU 48 N -0.93 0.99 -0.54 2.28 3.38 -0.25 0.18 115.31 120.43 1egr h LEU 48 Ca -0.07 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1egr h LEU 48 Cb 0.61 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1egr h LEU 48 CO 0.12 0.61 0.28 -0.61 0.09 0.00 0.00 178.44 178.93 1egr h GLN 49 N 1.12 0.77 -1.00 1.13 4.15 -0.02 0.72 115.11 121.97 1egr h GLN 49 Ca 0.44 -0.10 0.08 0.00 0.77 0.00 0.00 58.65 59.83 1egr h GLN 49 Cb 0.24 -0.14 -0.07 0.00 0.21 0.00 0.00 27.48 27.71 1egr h GLN 49 CO -0.19 0.62 0.65 0.37 -1.93 0.00 0.00 178.83 178.34 1egr h GLN 50 N 0.73 1.11 0.16 1.69 4.15 0.13 0.16 115.11 123.23 1egr h GLN 50 Ca 0.19 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1egr h GLN 50 Cb 0.08 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.53 1egr h GLN 50 CO -0.03 0.73 -0.08 0.87 -1.93 0.00 0.00 178.83 178.40 1egr h LYS 51 N 1.14 -0.20 -0.13 1.69 1.79 0.54 -3.31 116.57 118.09 1egr h LYS 51 Ca 0.45 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.90 1egr h LYS 51 Cb 0.23 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1egr h LYS 51 CO -0.19 0.03 -0.03 0.00 -1.08 0.00 0.00 179.45 178.18 1egr h ALA 52 N 0.39 0.18 0.00 3.86 0.00 -0.54 -3.46 119.26 119.69 1egr h ALA 52 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1egr h ALA 52 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1egr h ALA 52 CO 0.04 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1egr n GLY 53 N -0.14 3.55 3.85 0.00 0.00 0.53 -4.92 105.19 108.06 1egr n GLY 53 Ca -0.06 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 1egr n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1egr s LYS 54 N 0.00 2.31 0.00 1.61 1.02 -1.26 -4.92 119.74 118.51 1egr s LYS 54 Ca 0.00 -1.87 -0.13 0.00 0.02 0.00 0.00 55.97 53.98 1egr s LYS 54 Cb 0.00 -2.12 -0.16 0.00 -0.52 0.00 0.00 37.83 35.03 1egr s LYS 54 CO 0.00 -0.38 0.97 -2.30 -0.92 0.00 0.00 175.35 172.72 1egr n PRO 55 N -1.57 0.00 -2.70 -1.68 -0.02 -1.26 -4.35 135.00 123.42 1egr n PRO 55 Ca -0.01 -0.47 -0.07 0.00 -2.02 0.00 0.00 63.50 60.93 1egr n PRO 55 Cb 0.64 -1.73 0.05 0.00 -0.02 0.00 0.00 33.50 32.44 1egr n PRO 55 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1egr n VAL 56 N 5.05 0.82 -2.09 -1.45 3.14 -1.26 -5.01 118.33 117.53 1egr n VAL 56 Ca 0.20 -2.66 -0.42 0.00 -2.96 0.00 0.00 64.34 58.50 1egr n VAL 56 Cb 0.28 0.86 0.00 0.00 -1.06 0.00 0.00 33.84 33.92 1egr n VAL 56 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1egr n GLU 57 N -0.33 3.11 -3.44 1.45 2.13 -1.26 -4.87 120.64 117.43 1egr n GLU 57 Ca 0.05 -3.00 -0.43 0.00 0.66 0.00 0.00 57.16 54.44 1egr n GLU 57 Cb 0.82 -3.23 -0.07 0.00 0.27 0.00 0.00 31.44 29.23 1egr n GLU 57 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1egr s THR 58 N 2.67 4.69 0.24 6.31 -4.23 -1.26 -5.06 115.64 119.00 1egr s THR 58 Ca 0.46 -1.60 -0.30 0.00 -1.18 0.00 0.00 61.69 59.08 1egr s THR 58 Cb 0.10 -4.02 -0.09 0.00 1.34 0.00 0.00 72.50 69.83 1egr s THR 58 CO -0.03 -0.79 1.11 0.68 -0.54 0.00 0.00 174.62 175.05 1egr s VAL 59 N 1.48 3.60 -0.04 2.29 -7.23 -1.26 -3.43 120.40 115.81 1egr s VAL 59 Ca 0.04 1.52 -0.15 0.00 -1.81 0.00 0.00 61.98 61.59 1egr s VAL 59 Cb -0.27 -3.97 -0.05 0.00 0.56 0.00 0.00 36.38 32.65 1egr s VAL 59 CO 0.01 0.32 0.38 -2.16 -0.31 0.00 0.00 175.10 173.35 1egr s PRO 60 N -1.03 3.98 -0.03 4.82 0.04 -1.26 -4.94 135.00 136.59 1egr s PRO 60 Ca 0.47 0.34 -0.08 0.00 0.04 0.00 0.00 61.00 61.77 1egr s PRO 60 Cb -0.31 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 30.91 1egr s PRO 60 CO 0.39 0.58 0.25 -0.65 0.04 0.00 0.00 177.00 177.61 1egr s GLN 61 N -0.68 3.59 0.02 4.56 1.11 0.70 -3.95 119.66 125.00 1egr s GLN 61 Ca 0.23 -0.03 0.06 0.00 0.01 0.00 0.00 55.36 55.62 1egr s GLN 61 Cb -0.16 -3.13 -0.03 0.00 -1.01 0.00 0.00 33.01 28.69 1egr s GLN 61 CO 0.11 0.69 -0.16 0.42 0.01 0.00 0.00 175.29 176.36 1egr s ILE 62 N -1.20 2.92 0.05 1.08 1.09 0.47 -0.07 121.20 125.53 1egr s ILE 62 Ca 0.24 -1.04 0.05 0.00 -1.10 0.00 0.00 60.65 58.80 1egr s ILE 62 Cb -0.13 -2.21 -0.02 0.00 -1.06 0.00 0.00 42.46 39.03 1egr s ILE 62 CO 0.13 0.41 -0.15 -0.36 -0.10 0.00 0.00 174.94 174.87 1egr s PHE 63 N -0.88 1.28 -0.20 3.97 0.08 0.22 -1.56 117.98 120.89 1egr s PHE 63 Ca 0.14 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.81 1egr s PHE 63 Cb -0.11 -0.74 0.03 0.00 -0.57 0.00 0.00 43.02 41.63 1egr s PHE 63 CO 0.04 0.05 -0.18 0.08 -0.10 0.00 0.00 175.22 175.12 1egr s VAL 64 N -0.98 2.13 0.00 -0.44 1.01 -0.18 -0.75 120.40 121.19 1egr s VAL 64 Ca 0.01 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1egr s VAL 64 Cb -0.09 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1egr s VAL 64 CO 0.02 0.43 0.00 0.47 0.00 0.00 0.00 175.10 176.01 1egr n ASP 65 N 4.59 0.00 0.00 3.32 8.00 0.61 0.14 116.55 133.21 1egr n ASP 65 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1egr n ASP 65 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1egr n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1egr n GLN 66 N 0.00 0.00 -2.93 -1.24 10.64 -1.26 -4.99 117.38 117.59 1egr n GLN 66 Ca 0.00 -0.19 -0.25 0.00 -1.83 0.00 0.00 57.00 54.73 1egr n GLN 66 Cb 0.00 -0.36 0.00 0.00 -0.86 0.00 0.00 30.24 29.02 1egr n GLN 66 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1egr s GLN 67 N 0.00 3.28 -0.09 2.61 -0.21 0.12 -5.09 119.66 120.28 1egr s GLN 67 Ca 0.00 -0.21 -0.01 0.00 0.02 0.00 0.00 55.36 55.15 1egr s GLN 67 Cb 0.00 -2.51 -0.03 0.00 1.00 0.00 0.00 33.01 31.47 1egr s GLN 67 CO 0.00 -0.19 -0.03 -1.58 -2.12 0.00 0.00 175.29 171.36 1egr s HIS 68 N -2.59 3.05 -0.18 0.91 5.65 -1.26 -1.01 115.29 119.86 1egr s HIS 68 Ca 0.46 0.04 -0.03 0.00 0.25 0.00 0.00 55.06 55.79 1egr s HIS 68 Cb -0.10 -1.79 -0.10 0.00 -1.18 0.00 0.00 32.58 29.41 1egr s HIS 68 CO 0.40 0.32 -0.18 -0.89 -0.65 0.00 0.00 174.74 173.74 1egr n ILE 69 N 2.43 0.99 0.00 0.89 2.08 -0.60 -4.91 119.36 120.23 1egr n ILE 69 Ca -0.18 -0.33 0.00 0.00 0.56 0.00 0.00 62.75 62.80 1egr n ILE 69 Cb 0.53 -1.35 0.00 0.00 -0.75 0.00 0.00 39.64 38.07 1egr n ILE 69 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1egr n GLY 70 N 2.36 0.40 3.99 7.39 0.00 -1.20 -4.66 105.19 113.48 1egr n GLY 70 Ca -0.32 -1.28 -0.22 0.00 0.00 0.00 0.00 46.02 44.19 1egr n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1egr s GLY 71 N 0.00 1.95 0.37 -0.02 0.00 -1.26 -0.40 107.32 107.96 1egr s GLY 71 Ca 0.00 -1.84 0.18 0.00 0.00 0.00 0.00 44.72 43.05 1egr s GLY 71 CO 0.00 -1.79 1.69 -1.82 0.00 0.00 0.00 173.10 171.18 1egr h TYR 72 N 0.34 0.81 0.29 1.90 3.20 -1.93 0.24 116.97 121.82 1egr h TYR 72 Ca -0.31 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.58 1egr h TYR 72 Cb 1.30 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 1egr h TYR 72 CO 0.64 -0.10 -0.35 1.79 -1.64 0.00 0.00 178.16 178.50 1egr h THR 73 N 0.33 0.00 -0.39 1.81 1.35 -1.94 0.13 112.91 114.19 1egr h THR 73 Ca 0.71 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.61 1egr h THR 73 Cb 1.75 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 68.13 1egr h THR 73 CO -0.49 0.00 0.15 0.44 -0.25 0.00 0.00 175.52 175.37 1egr h ASP 74 N -0.65 0.17 -0.58 5.36 5.19 -1.51 -1.99 116.42 122.41 1egr h ASP 74 Ca -0.04 0.04 0.11 0.00 -0.62 0.00 0.00 57.03 56.53 1egr h ASP 74 Cb 0.58 0.02 -0.11 0.00 0.18 0.00 0.00 39.33 39.99 1egr h ASP 74 CO -0.08 0.13 -0.22 0.15 -3.12 0.00 0.00 179.24 176.10 1egr h PHE 75 N 0.31 -0.56 0.12 4.55 3.57 -0.25 0.39 116.94 125.08 1egr h PHE 75 Ca 0.18 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1egr h PHE 75 Cb 0.15 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1egr h PHE 75 CO -0.14 -0.32 -0.18 0.00 -2.23 0.00 0.00 178.31 175.44 1egr h ALA 76 N 1.35 -0.32 0.10 2.41 0.00 -0.03 0.19 119.26 122.97 1egr h ALA 76 Ca 0.27 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1egr h ALA 76 Cb 0.50 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1egr h ALA 76 CO -0.64 -0.71 -0.37 0.00 0.00 0.00 0.00 179.25 177.53 1egr h ALA 77 N 0.45 -0.63 -0.21 0.00 0.00 -0.68 0.11 119.26 118.31 1egr h ALA 77 Ca 0.02 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1egr h ALA 77 Cb 0.37 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1egr h ALA 77 CO -0.08 -0.92 -0.45 2.35 0.00 0.00 0.00 179.25 180.15 1egr h TRP 78 N -0.59 -1.30 -0.61 0.00 7.01 -0.03 0.14 115.95 120.57 1egr h TRP 78 Ca 0.03 0.06 0.11 0.00 2.11 0.00 0.00 58.89 61.20 1egr h TRP 78 Cb 0.63 0.60 -0.12 0.00 -2.10 0.00 0.00 29.16 28.17 1egr h TRP 78 CO -0.33 -0.48 -0.28 0.28 -2.79 0.00 0.00 178.44 174.83 1egr h VAL 79 N -0.47 0.22 0.33 2.65 2.07 -0.16 0.20 116.25 121.09 1egr h VAL 79 Ca 0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1egr h VAL 79 Cb 0.63 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1egr h VAL 79 CO -0.45 0.00 -0.26 0.50 0.02 0.00 0.00 177.57 177.38 1egr h LYS 80 N -0.12 -0.58 0.00 1.57 3.64 0.14 0.45 116.57 121.67 1egr h LYS 80 Ca 0.26 0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.55 1egr h LYS 80 Cb 0.54 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1egr h LYS 80 CO -0.68 -0.38 -0.60 1.05 -2.27 0.00 0.00 179.45 176.57 1egr h GLU 81 N -0.60 0.00 0.02 1.90 4.11 -0.17 -1.50 114.58 118.35 1egr h GLU 81 Ca -0.02 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.10 1egr h GLU 81 Cb 0.52 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1egr h GLU 81 CO -0.01 0.60 -1.79 0.09 0.07 0.00 0.00 179.01 177.97 1egr n ASN 82 N -3.70 1.09 -2.69 3.06 3.02 0.63 -4.23 115.26 112.43 1egr n ASN 82 Ca -0.01 0.36 -0.29 0.00 -0.03 0.00 0.00 54.58 54.61 1egr n ASN 82 Cb 0.62 -0.18 -0.01 0.00 -0.61 0.00 0.00 39.78 39.60 1egr n ASN 82 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1egr n LEU 83 N -3.12 5.05 -2.02 3.41 4.77 0.16 -4.87 117.00 120.38 1egr n LEU 83 Ca -0.20 -5.31 -0.11 0.00 -0.03 0.00 0.00 56.01 50.35 1egr n LEU 83 Cb 1.05 -0.58 -0.16 0.00 -2.33 0.00 0.00 43.42 41.41 1egr n LEU 83 CO 0.44 2.22 1.55 -0.67 -1.33 0.00 0.00 177.39 179.60 1egr n ASP 84 N -0.41 4.97 0.00 -1.43 2.03 -0.56 -4.63 116.55 116.52 1egr n ASP 84 Ca 0.39 -2.43 0.00 0.00 0.52 0.00 0.00 54.79 53.27 1egr n ASP 84 Cb 0.53 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28