#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 2.59 0.11 3.17 2.00 -1.26 -0.07 119.66 126.20 1egr s GLN 2 Ca 0.00 -0.67 0.10 0.00 -2.00 0.00 0.00 55.36 52.80 1egr s GLN 2 Cb 0.00 -2.50 -0.04 0.00 0.80 0.00 0.00 33.01 31.28 1egr s GLN 2 CO 0.00 0.63 -0.26 0.99 -0.50 0.00 0.00 175.29 176.14 1egr s THR 3 N -0.88 2.19 -0.01 -0.34 2.01 0.19 -0.48 115.64 118.32 1egr s THR 3 Ca 0.14 -1.66 -0.01 0.00 0.31 0.00 0.00 61.69 60.48 1egr s THR 3 Cb -0.11 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.48 1egr s THR 3 CO 0.04 0.14 0.02 -0.69 -0.69 0.00 0.00 174.62 173.44 1egr s VAL 4 N -1.01 -0.00 -0.09 3.82 1.01 -0.70 0.11 120.40 123.54 1egr s VAL 4 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1egr s VAL 4 Cb -0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 1egr s VAL 4 CO 0.05 0.01 -0.08 -0.63 0.00 0.00 0.00 175.10 174.45 1egr s ILE 5 N 0.10 3.58 -0.59 2.22 -1.09 -0.24 -1.22 121.20 123.95 1egr s ILE 5 Ca -0.01 -0.51 0.04 0.00 -2.23 0.00 0.00 60.65 57.95 1egr s ILE 5 Cb -0.01 -2.48 0.15 0.00 -1.58 0.00 0.00 42.46 38.54 1egr s ILE 5 CO -0.00 0.57 0.37 -0.36 -1.23 0.00 0.00 174.94 174.28 1egr s PHE 6 N -0.41 3.12 0.00 3.97 0.40 0.12 -0.72 117.98 124.45 1egr s PHE 6 Ca 0.06 -3.13 0.00 0.00 -0.60 0.00 0.00 56.93 53.26 1egr s PHE 6 Cb -0.12 -2.56 0.00 0.00 0.51 0.00 0.00 43.02 40.84 1egr s PHE 6 CO 0.02 -0.66 0.00 0.41 0.70 0.00 0.00 175.22 175.69 1egr n GLY 7 N 2.62 5.26 3.21 4.36 0.00 -1.23 -0.47 105.19 118.94 1egr n GLY 7 Ca 0.13 -1.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 1egr n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1egr s ARG 8 N 0.02 1.10 -1.41 1.61 6.06 -1.26 -3.68 118.95 121.39 1egr s ARG 8 Ca 0.00 -1.49 -0.09 0.00 -2.50 0.00 0.00 55.73 51.65 1egr s ARG 8 Cb 0.00 0.28 0.07 0.00 0.06 0.00 0.00 34.95 35.36 1egr s ARG 8 CO 0.00 -0.35 2.34 -1.13 -2.50 0.00 0.00 175.30 173.65 1egr n SER 9 N -0.20 6.56 -3.00 -2.12 3.41 -1.26 -4.30 113.62 112.71 1egr n SER 9 Ca -0.02 -2.95 -0.27 0.00 -0.26 0.00 0.00 58.87 55.37 1egr n SER 9 Cb 0.65 -1.50 -0.04 0.00 -0.26 0.00 0.00 64.21 63.06 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 2.90 5.45 0.00 5.00 0.00 -1.26 -5.02 105.19 112.26 1egr n GLY 10 Ca 0.58 -2.75 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1egr n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1egr n PRO 12 N 0.68 0.04 0.00 0.00 -0.02 -1.26 -4.52 135.00 129.92 1egr n PRO 12 Ca 0.00 -1.05 0.00 0.00 -2.02 0.00 0.00 63.50 60.43 1egr n PRO 12 Cb 0.00 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 30.73 1egr n PRO 12 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1egr n TYR 13 N 12.64 0.00 0.04 6.00 4.01 -1.26 -4.69 117.16 133.91 1egr n TYR 13 Ca 0.32 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 58.25 1egr n TYR 13 Cb 0.44 0.00 0.71 0.00 -0.31 0.00 0.00 39.34 40.18 1egr n TYR 13 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1egr h VAL 15 N 0.00 0.16 0.05 0.00 2.07 -1.86 0.54 116.25 117.21 1egr h VAL 15 Ca 0.22 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 1egr h VAL 15 Cb 0.91 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1egr h VAL 15 CO -0.00 0.03 -0.03 0.03 0.02 0.00 0.00 177.57 177.62 1egr h ARG 16 N 0.15 -0.07 -0.88 1.57 2.47 -1.34 -0.75 114.38 115.52 1egr h ARG 16 Ca 0.79 0.00 0.20 0.00 -1.26 0.00 0.00 59.98 59.72 1egr h ARG 16 Cb 2.14 0.02 -0.12 0.00 -1.65 0.00 0.00 29.97 30.36 1egr h ARG 16 CO -0.59 0.50 0.41 0.00 0.56 0.00 0.00 179.97 180.85 1egr h ALA 17 N -0.29 1.40 1.01 0.04 0.00 -1.11 0.16 119.26 120.47 1egr h ALA 17 Ca -0.01 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1egr h ALA 17 Cb 0.60 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1egr h ALA 17 CO 0.01 -0.27 -0.49 -0.22 0.00 0.00 0.00 179.25 178.29 1egr h LYS 18 N 0.47 -1.31 -0.86 0.00 1.63 -0.03 0.18 116.57 116.65 1egr h LYS 18 Ca 0.53 0.09 0.18 0.00 -0.85 0.00 0.00 60.65 60.60 1egr h LYS 18 Cb 0.95 0.30 -0.11 0.00 -0.60 0.00 0.00 32.23 32.77 1egr h LYS 18 CO -0.48 -0.87 0.42 0.22 -3.45 0.00 0.00 179.45 175.28 1egr h ASP 19 N -1.37 0.44 0.26 4.20 1.82 -0.11 0.34 116.42 122.01 1egr h ASP 19 Ca -0.14 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.61 1egr h ASP 19 Cb 1.04 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.11 1egr h ASP 19 CO 0.23 0.13 -0.13 0.25 -1.61 0.00 0.00 179.24 178.11 1egr h LEU 20 N 0.53 -0.30 -1.02 2.28 5.85 -0.35 0.41 115.31 122.71 1egr h LEU 20 Ca 0.50 0.01 0.30 0.00 0.84 0.00 0.00 57.88 59.53 1egr h LEU 20 Cb 0.81 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.78 1egr h LEU 20 CO -0.43 -0.19 0.59 0.00 -0.34 0.00 0.00 178.44 178.07 1egr h ALA 21 N -1.79 1.93 0.22 1.25 0.00 -0.32 0.21 119.26 120.77 1egr h ALA 21 Ca -0.04 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1egr h ALA 21 Cb 0.27 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1egr h ALA 21 CO 0.06 -0.50 -0.11 1.49 0.00 0.00 0.00 179.25 180.20 1egr h GLU 22 N 0.40 -0.29 -0.19 0.00 4.81 -0.21 0.32 114.58 119.42 1egr h GLU 22 Ca 0.71 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 60.01 1egr h GLU 22 Cb 1.55 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.93 1egr h GLU 22 CO -0.55 0.00 -0.25 -0.22 -0.73 0.00 0.00 179.01 177.25 1egr h LYS 23 N -0.58 -0.28 -0.96 1.92 1.63 0.27 0.37 116.57 118.94 1egr h LYS 23 Ca -0.03 0.02 0.14 0.00 -0.85 0.00 0.00 60.65 59.93 1egr h LYS 23 Cb 0.42 0.06 -0.09 0.00 -0.60 0.00 0.00 32.23 32.03 1egr h LYS 23 CO 0.05 -0.18 0.58 -0.07 -3.45 0.00 0.00 179.45 176.38 1egr h LEU 24 N -0.29 0.81 -1.44 5.20 3.38 -0.73 0.52 115.31 122.76 1egr h LEU 24 Ca 0.12 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1egr h LEU 24 Cb 0.47 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1egr h LEU 24 CO -0.36 0.39 0.38 -1.28 0.09 0.00 0.00 178.44 177.67 1egr h SER 25 N 0.87 0.64 0.95 -0.43 0.87 0.34 -0.91 113.55 115.88 1egr h SER 25 Ca 0.50 -0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.85 1egr h SER 25 Cb 0.60 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 1egr h SER 25 CO -0.31 0.46 -1.11 -1.13 -0.53 0.00 0.00 176.83 174.22 1egr h ASN 26 N 0.76 0.00 -0.05 6.23 -1.24 0.30 -3.36 115.58 118.23 1egr h ASN 26 Ca 0.22 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.17 1egr h ASN 26 Cb -0.05 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.01 1egr h ASN 26 CO -0.05 0.81 -0.21 -0.33 -1.29 0.00 0.00 177.43 176.35 1egr h GLU 27 N 0.00 0.23 -6.14 6.67 5.08 -0.05 -3.46 114.58 116.90 1egr h GLU 27 Ca -0.10 -0.18 -0.52 0.00 -1.00 0.00 0.00 59.36 57.56 1egr h GLU 27 Cb 1.70 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.93 1egr h GLU 27 CO 0.09 0.83 -0.50 1.03 -1.00 0.00 0.00 179.01 179.46 1egr s ARG 28 N -3.61 2.53 -0.12 2.33 0.52 -0.40 -5.02 118.95 115.18 1egr s ARG 28 Ca -0.15 -1.43 0.07 0.00 -0.52 0.00 0.00 55.73 53.70 1egr s ARG 28 Cb 0.02 -2.31 -0.24 0.00 0.52 0.00 0.00 34.95 32.95 1egr s ARG 28 CO 0.74 0.11 0.37 -0.25 0.02 0.00 0.00 175.30 176.29 1egr n ASP 29 N -1.25 1.16 -1.68 0.23 9.92 -1.26 -4.04 116.55 119.63 1egr n ASP 29 Ca -0.03 0.22 -0.06 0.00 -0.53 0.00 0.00 54.79 54.39 1egr n ASP 29 Cb 0.61 -0.11 -0.01 0.00 -0.64 0.00 0.00 41.12 40.97 1egr n ASP 29 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1egr n ASP 30 N -3.13 5.67 -3.41 -2.24 2.03 -1.26 -4.58 116.55 109.64 1egr n ASP 30 Ca -0.27 -2.62 -0.21 0.00 0.52 0.00 0.00 54.79 52.22 1egr n ASP 30 Cb 1.06 -1.14 -0.10 0.00 -0.72 0.00 0.00 41.12 40.23 1egr n ASP 30 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1egr s PHE 31 N -0.45 -0.07 0.16 -0.67 2.19 -1.25 0.18 117.98 118.07 1egr s PHE 31 Ca 0.16 -0.86 0.02 0.00 0.33 0.00 0.00 56.93 56.58 1egr s PHE 31 Cb 0.10 -0.57 -0.04 0.00 -1.31 0.00 0.00 43.02 41.21 1egr s PHE 31 CO -0.01 -0.92 0.30 -0.65 1.83 0.00 0.00 175.22 175.78 1egr s GLN 32 N 1.62 3.45 0.17 10.12 1.11 0.90 -4.14 119.66 132.89 1egr s GLN 32 Ca 0.15 -0.57 0.04 0.00 0.01 0.00 0.00 55.36 54.99 1egr s GLN 32 Cb -0.17 -2.95 -0.05 0.00 -1.01 0.00 0.00 33.01 28.84 1egr s GLN 32 CO -0.12 0.50 -0.08 1.52 0.01 0.00 0.00 175.29 177.13 1egr s TYR 33 N -1.77 1.38 0.02 0.91 -0.85 -1.26 0.54 117.35 116.31 1egr s TYR 33 Ca 0.35 -0.79 -0.13 0.00 -0.52 0.00 0.00 57.07 55.98 1egr s TYR 33 Cb -0.11 -0.73 0.02 0.00 0.38 0.00 0.00 41.96 41.52 1egr s TYR 33 CO 0.29 0.07 0.28 -1.14 -1.52 0.00 0.00 175.55 173.53 1egr s GLN 34 N -3.77 0.71 -0.15 -3.49 0.74 0.30 -4.78 119.66 109.22 1egr s GLN 34 Ca 0.20 -0.38 0.02 0.00 0.05 0.00 0.00 55.36 55.25 1egr s GLN 34 Cb 0.03 0.31 0.01 0.00 1.10 0.00 0.00 33.01 34.47 1egr s GLN 34 CO 0.03 -0.21 -0.19 -0.47 -0.55 0.00 0.00 175.29 173.90 1egr s TYR 35 N -1.95 2.52 0.04 1.67 6.14 -1.26 -1.08 117.35 123.42 1egr s TYR 35 Ca -0.09 -1.34 0.06 0.00 0.64 0.00 0.00 57.07 56.34 1egr s TYR 35 Cb -0.03 -1.75 -0.03 0.00 0.42 0.00 0.00 41.96 40.57 1egr s TYR 35 CO 0.00 -0.65 -0.14 0.08 0.64 0.00 0.00 175.55 175.48 1egr s VAL 36 N 1.05 3.10 0.26 3.14 1.01 0.10 -4.93 120.40 124.14 1egr s VAL 36 Ca -0.02 -1.08 0.09 0.00 0.00 0.00 0.00 61.98 60.97 1egr s VAL 36 Cb -0.14 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1egr s VAL 36 CO -0.06 0.33 0.05 -0.62 0.00 0.00 0.00 175.10 174.80 1egr s ASP 37 N -1.52 4.79 -0.01 3.32 2.15 -1.26 -3.53 116.67 120.61 1egr s ASP 37 Ca 0.16 -0.55 0.11 0.00 0.43 0.00 0.00 52.55 52.70 1egr s ASP 37 Cb -0.11 -0.98 -0.23 0.00 -0.30 0.00 0.00 42.92 41.30 1egr s ASP 37 CO 0.07 -0.01 0.77 0.16 -0.17 0.00 0.00 175.17 175.99 1egr h ILE 38 N 1.78 1.00 0.00 4.11 3.07 -1.94 -3.31 117.51 122.23 1egr h ILE 38 Ca -0.45 -2.83 -0.02 0.00 1.55 0.00 0.00 64.86 63.11 1egr h ILE 38 Cb 1.25 2.50 -0.00 0.00 -0.27 0.00 0.00 36.82 40.30 1egr h ILE 38 CO 0.60 0.58 -0.73 -1.14 -1.05 0.00 0.00 178.15 176.42 1egr n ARG 39 N -3.11 0.48 -0.36 0.16 3.00 -1.26 -0.56 116.66 115.00 1egr n ARG 39 Ca -0.14 0.43 0.32 0.00 -0.00 0.00 0.00 57.85 58.46 1egr n ARG 39 Cb 1.03 -1.62 0.65 0.00 0.00 0.00 0.00 32.46 32.52 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 -0.98 2.77 0.05 5.13 0.00 -1.99 -0.86 119.26 123.38 1egr h ALA 40 Ca -0.03 0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 1egr h ALA 40 Cb 0.71 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1egr h ALA 40 CO -0.02 -1.18 -1.56 0.39 0.00 0.00 0.00 179.25 176.87 1egr n GLU 41 N -4.41 0.64 0.00 0.00 -0.58 -1.25 -5.02 120.64 110.02 1egr n GLU 41 Ca 0.28 0.46 0.00 0.00 -0.42 0.00 0.00 57.16 57.48 1egr n GLU 41 Cb 1.17 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 1egr n GLU 41 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1egr n GLY 42 N 1.64 0.67 3.98 0.62 0.00 -0.33 -5.08 105.19 106.69 1egr n GLY 42 Ca -0.33 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.42 4.64 0.09 -0.61 1.01 0.27 -5.02 121.20 120.16 1egr s ILE 43 Ca 0.00 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.75 1egr s ILE 43 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1egr s ILE 43 CO 0.00 -0.25 -0.11 0.42 0.00 0.00 0.00 174.94 175.00 1egr s THR 44 N -2.10 3.29 0.16 2.92 -4.23 -1.26 -4.85 115.64 109.57 1egr s THR 44 Ca 0.40 -1.23 -0.23 0.00 -1.18 0.00 0.00 61.69 59.45 1egr s THR 44 Cb -0.09 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.28 1egr s THR 44 CO 0.30 0.17 1.61 0.50 -0.54 0.00 0.00 174.62 176.66 1egr h LYS 45 N 3.82 -0.26 -0.23 3.99 3.64 -1.99 -0.95 116.57 124.59 1egr h LYS 45 Ca -0.49 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 58.94 1egr h LYS 45 Cb 1.17 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.99 1egr h LYS 45 CO 0.51 -0.17 -0.39 0.93 -2.27 0.00 0.00 179.45 178.05 1egr h GLU 46 N -0.27 -0.31 -0.23 1.90 3.07 -1.98 0.52 114.58 117.28 1egr h GLU 46 Ca 0.16 0.02 0.05 0.00 -0.50 0.00 0.00 59.36 59.09 1egr h GLU 46 Cb 0.53 0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.43 1egr h GLU 46 CO -0.48 -0.21 -0.41 0.22 -1.40 0.00 0.00 179.01 176.73 1egr h ASP 47 N -0.32 -1.31 -0.25 1.42 1.82 -1.83 0.33 116.42 116.28 1egr h ASP 47 Ca 0.04 0.19 0.05 0.00 -0.39 0.00 0.00 57.03 56.92 1egr h ASP 47 Cb 0.44 0.55 -0.05 0.00 0.68 0.00 0.00 39.33 40.95 1egr h ASP 47 CO -0.39 -0.40 -0.07 -0.07 -1.61 0.00 0.00 179.24 176.70 1egr h LEU 48 N -0.42 -0.26 -0.03 2.28 3.38 -0.77 0.37 115.31 119.85 1egr h LEU 48 Ca 0.10 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1egr h LEU 48 Cb 0.60 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 1egr h LEU 48 CO -0.46 -0.10 -0.36 -0.61 0.09 0.00 0.00 178.44 177.00 1egr h GLN 49 N -0.02 -0.48 -0.81 1.13 4.15 0.72 0.37 115.11 120.17 1egr h GLN 49 Ca 0.12 0.03 0.17 0.00 0.77 0.00 0.00 58.65 59.75 1egr h GLN 49 Cb 0.20 0.11 -0.11 0.00 0.21 0.00 0.00 27.48 27.89 1egr h GLN 49 CO -0.26 -0.32 0.32 0.37 -1.93 0.00 0.00 178.83 177.00 1egr h GLN 50 N -0.50 0.39 -0.28 1.69 -0.00 0.59 0.22 115.11 117.22 1egr h GLN 50 Ca 0.06 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.67 1egr h GLN 50 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.98 1egr h GLN 50 CO -0.31 0.26 0.09 -0.22 0.00 0.00 0.00 178.83 178.66 1egr h LYS 51 N 0.41 0.43 -0.04 1.69 3.11 0.14 -3.29 116.57 119.01 1egr h LYS 51 Ca 0.47 -0.09 -0.03 0.00 -2.81 0.00 0.00 60.65 58.19 1egr h LYS 51 Cb 0.80 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 1egr h LYS 51 CO -0.47 0.48 -0.08 0.00 -2.81 0.00 0.00 179.45 176.57 1egr h ALA 52 N 0.93 0.07 0.00 5.00 0.00 0.73 -3.44 119.26 122.54 1egr h ALA 52 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1egr h ALA 52 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1egr h ALA 52 CO -0.00 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.57 1egr n GLY 53 N 0.41 2.57 3.78 0.00 0.00 0.66 -4.82 105.19 107.79 1egr n GLY 53 Ca -0.08 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 1egr n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1egr s LYS 54 N 0.00 4.51 -0.97 1.61 2.20 -1.26 -4.94 119.74 120.89 1egr s LYS 54 Ca 0.00 1.13 -0.20 0.00 -0.36 0.00 0.00 55.97 56.54 1egr s LYS 54 Cb 0.00 -3.12 -0.27 0.00 -1.51 0.00 0.00 37.83 32.93 1egr s LYS 54 CO 0.00 0.50 2.41 -2.30 -0.36 0.00 0.00 175.35 175.60 1egr n PRO 55 N 1.27 0.08 0.00 4.03 -0.02 -1.26 -4.68 135.00 134.42 1egr n PRO 55 Ca -0.04 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1egr n PRO 55 Cb 0.49 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1egr n PRO 55 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1egr n VAL 56 N 6.63 0.00 0.00 -1.45 0.24 -1.26 -4.90 118.33 117.59 1egr n VAL 56 Ca 0.65 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.95 1egr n VAL 56 Cb 0.13 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 1egr n VAL 56 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1egr n GLU 57 N 0.00 0.00 0.00 7.34 4.07 -1.26 -4.94 120.64 125.85 1egr n GLU 57 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1egr n GLU 57 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1egr n GLU 57 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1egr n THR 58 N -0.01 0.00 -4.55 6.31 -2.24 -1.26 -5.13 114.28 107.41 1egr n THR 58 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 1egr n THR 58 Cb 0.00 -0.20 -0.14 0.00 -2.10 0.00 0.00 70.33 67.90 1egr n THR 58 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1egr s VAL 59 N 2.55 1.76 0.31 2.28 -7.23 -1.26 -4.46 120.40 114.35 1egr s VAL 59 Ca 0.00 -1.35 0.04 0.00 -1.81 0.00 0.00 61.98 58.86 1egr s VAL 59 Cb 0.00 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 1egr s VAL 59 CO 0.00 0.14 0.46 -2.16 -0.31 0.00 0.00 175.10 173.23 1egr s PRO 60 N -1.45 3.28 0.13 4.82 0.04 -1.26 -4.82 135.00 135.75 1egr s PRO 60 Ca 0.08 -0.76 0.08 0.00 0.04 0.00 0.00 61.00 60.43 1egr s PRO 60 Cb -0.09 -2.80 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 1egr s PRO 60 CO 0.03 0.17 -0.11 -0.65 0.04 0.00 0.00 177.00 176.48 1egr s GLN 61 N -4.16 2.03 0.03 4.56 -0.21 0.38 -3.75 119.66 118.53 1egr s GLN 61 Ca 0.41 -1.13 0.08 0.00 0.02 0.00 0.00 55.36 54.73 1egr s GLN 61 Cb -0.09 -2.22 -0.02 0.00 1.00 0.00 0.00 33.01 31.67 1egr s GLN 61 CO 0.32 0.48 -0.22 0.42 -2.12 0.00 0.00 175.29 174.16 1egr s ILE 62 N -1.35 1.78 0.09 1.08 1.01 0.85 0.13 121.20 124.79 1egr s ILE 62 Ca 0.22 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1egr s ILE 62 Cb -0.10 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1egr s ILE 62 CO 0.13 0.33 -0.06 -0.36 0.00 0.00 0.00 174.94 174.98 1egr s PHE 63 N -0.71 0.82 -0.07 3.97 0.40 -0.36 -1.92 117.98 120.12 1egr s PHE 63 Ca 0.09 -0.89 0.03 0.00 -0.60 0.00 0.00 56.93 55.55 1egr s PHE 63 Cb -0.09 -0.49 0.01 0.00 0.51 0.00 0.00 43.02 42.96 1egr s PHE 63 CO 0.01 -0.17 -0.14 0.08 0.70 0.00 0.00 175.22 175.70 1egr s VAL 64 N -3.45 1.25 0.00 -0.44 1.01 0.03 -1.72 120.40 117.09 1egr s VAL 64 Ca 0.09 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1egr s VAL 64 Cb 0.04 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1egr s VAL 64 CO -0.05 0.38 0.00 -0.67 0.00 0.00 0.00 175.10 174.76 1egr n ASP 65 N 3.73 0.00 0.00 3.32 2.03 0.37 0.49 116.55 126.48 1egr n ASP 65 Ca -0.22 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.09 1egr n ASP 65 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1egr n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1egr n GLN 66 N 0.00 2.65 -2.23 -0.67 10.64 -1.26 -5.00 117.38 121.51 1egr n GLN 66 Ca 0.00 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 54.91 1egr n GLN 66 Cb 0.00 -0.25 0.06 0.00 -0.86 0.00 0.00 30.24 29.19 1egr n GLN 66 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 1egr s GLN 67 N -0.12 2.34 -0.06 2.61 0.00 0.18 -5.09 119.66 119.52 1egr s GLN 67 Ca 0.00 -0.20 0.03 0.00 -0.00 0.00 0.00 55.36 55.19 1egr s GLN 67 Cb 0.00 -2.18 -0.03 0.00 0.00 0.00 0.00 33.01 30.80 1egr s GLN 67 CO 0.00 -1.14 -0.12 -1.58 0.00 0.00 0.00 175.29 172.45 1egr s HIS 68 N -3.20 2.78 -0.12 9.60 5.65 -1.26 -0.79 115.29 127.95 1egr s HIS 68 Ca 0.59 -0.12 0.06 0.00 0.25 0.00 0.00 55.06 55.84 1egr s HIS 68 Cb -0.11 -1.66 -0.11 0.00 -1.18 0.00 0.00 32.58 29.52 1egr s HIS 68 CO 0.45 0.22 -0.03 -0.89 -0.65 0.00 0.00 174.74 173.84 1egr n ILE 69 N 2.32 0.74 0.00 0.89 2.08 -0.81 -4.89 119.36 119.69 1egr n ILE 69 Ca -0.17 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 62.76 1egr n ILE 69 Cb 0.52 -0.83 0.00 0.00 -0.75 0.00 0.00 39.64 38.58 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 2.58 0.28 3.92 7.39 0.00 -1.11 -4.70 105.19 113.54 1egr n GLY 70 Ca -0.20 -1.45 -0.20 0.00 0.00 0.00 0.00 46.02 44.17 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 2.02 0.19 -0.02 0.00 -1.26 -0.11 107.32 108.14 1egr s GLY 71 Ca 0.00 -1.78 -0.25 0.00 0.00 0.00 0.00 44.72 42.69 1egr s GLY 71 CO 0.00 -1.61 1.55 -1.82 0.00 0.00 0.00 173.10 171.22 1egr h TYR 72 N 0.93 -1.51 -0.05 1.90 3.20 -1.92 0.61 116.97 120.13 1egr h TYR 72 Ca -0.42 0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.57 1egr h TYR 72 Cb 1.27 0.79 -0.01 0.00 1.54 0.00 0.00 36.73 40.32 1egr h TYR 72 CO 0.48 -0.39 -0.04 1.79 -1.64 0.00 0.00 178.16 178.36 1egr h THR 73 N -0.03 0.00 -0.43 1.81 1.35 -1.95 -1.57 112.91 112.09 1egr h THR 73 Ca 0.24 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.19 1egr h THR 73 Cb 0.50 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.83 1egr h THR 73 CO -0.93 0.00 -0.22 0.44 -0.25 0.00 0.00 175.52 174.56 1egr h ASP 74 N -0.02 -0.75 -0.85 5.36 3.32 -1.84 -1.22 116.42 120.43 1egr h ASP 74 Ca 0.01 0.17 0.21 0.00 0.02 0.00 0.00 57.03 57.44 1egr h ASP 74 Cb 0.04 0.40 -0.15 0.00 0.22 0.00 0.00 39.33 39.84 1egr h ASP 74 CO -0.05 -0.25 0.07 0.15 -1.72 0.00 0.00 179.24 177.44 1egr h PHE 75 N -0.13 0.06 -0.97 4.55 3.57 -0.20 0.18 116.94 124.00 1egr h PHE 75 Ca 0.21 0.06 0.23 0.00 3.53 0.00 0.00 57.97 61.99 1egr h PHE 75 Cb 0.46 0.11 -0.18 0.00 2.79 0.00 0.00 35.95 39.13 1egr h PHE 75 CO -0.47 -0.28 -0.10 0.00 -2.23 0.00 0.00 178.31 175.24 1egr h ALA 76 N 1.80 0.91 -0.09 2.41 0.00 -0.26 0.45 119.26 124.48 1egr h ALA 76 Ca 0.50 0.35 -0.00 0.00 0.00 0.00 0.00 54.91 55.76 1egr h ALA 76 Cb 0.95 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1egr h ALA 76 CO -0.73 -0.48 0.05 0.00 0.00 0.00 0.00 179.25 178.09 1egr h ALA 77 N 1.96 0.11 -0.73 0.00 0.00 -1.08 -2.38 119.26 117.15 1egr h ALA 77 Ca 0.53 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.52 1egr h ALA 77 Cb 0.96 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 1egr h ALA 77 CO -0.94 -0.34 0.25 2.35 0.00 0.00 0.00 179.25 180.57 1egr h TRP 78 N 0.04 0.42 -0.57 0.00 7.01 -0.16 0.63 115.95 123.32 1egr h TRP 78 Ca 0.03 0.04 0.08 0.00 2.11 0.00 0.00 58.89 61.14 1egr h TRP 78 Cb 0.09 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.05 1egr h TRP 78 CO -0.04 0.01 0.38 0.28 -2.79 0.00 0.00 178.44 176.28 1egr h VAL 79 N 0.38 0.95 -0.23 2.65 2.07 -0.36 0.16 116.25 121.86 1egr h VAL 79 Ca 0.40 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1egr h VAL 79 Cb 0.63 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1egr h VAL 79 CO -0.43 0.09 0.00 1.17 0.02 0.00 0.00 177.57 178.42 1egr n LYS 80 N -4.47 2.37 0.00 1.57 3.00 0.22 -3.58 118.16 117.27 1egr n LYS 80 Ca 0.08 -1.18 0.00 0.00 -0.00 0.00 0.00 58.31 57.22 1egr n LYS 80 Cb 0.29 -1.71 0.00 0.00 0.00 0.00 0.00 35.03 33.61 1egr n LYS 80 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1egr n GLU 81 N 0.25 0.00 0.00 1.64 1.02 -0.10 -4.81 120.64 118.64 1egr n GLU 81 Ca 0.10 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.39 1egr n GLU 81 Cb 0.56 -0.22 0.68 0.00 -0.02 0.00 0.00 31.44 32.43 1egr n GLU 81 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1egr n ASN 82 N -2.05 0.62 -0.22 1.62 5.03 0.38 -3.60 115.26 117.04 1egr n ASN 82 Ca 0.00 -0.95 0.08 0.00 0.87 0.00 0.00 54.58 54.58 1egr n ASN 82 Cb 0.00 -0.03 0.13 0.00 -1.02 0.00 0.00 39.78 38.86 1egr n ASN 82 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1egr n LEU 83 N -0.66 2.03 -2.23 3.41 4.77 -1.23 -4.75 117.00 118.33 1egr n LEU 83 Ca 0.18 -2.86 -0.22 0.00 -0.03 0.00 0.00 56.01 53.08 1egr n LEU 83 Cb 0.25 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 1egr n LEU 83 CO 0.20 0.72 1.46 0.47 -1.33 0.00 0.00 177.39 178.91 1egr n ASP 84 N -1.16 6.33 0.00 -1.43 9.92 -1.24 -5.04 116.55 123.94 1egr n ASP 84 Ca 0.14 -3.08 0.00 0.00 -0.53 0.00 0.00 54.79 51.32 1egr n ASP 84 Cb 0.66 -1.19 0.00 0.00 -0.64 0.00 0.00 41.12 39.95 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33