#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 2.13 -0.05 0.03 0.74 -1.26 -1.38 119.66 119.87 1egr s GLN 2 Ca 0.00 -1.45 -0.00 0.00 0.05 0.00 0.00 55.36 53.95 1egr s GLN 2 Cb 0.00 -2.09 -0.03 0.00 1.10 0.00 0.00 33.01 31.99 1egr s GLN 2 CO 0.00 0.37 0.01 0.99 -0.55 0.00 0.00 175.29 176.11 1egr s THR 3 N -2.23 4.27 -0.14 -0.34 2.01 0.22 -2.19 115.64 117.25 1egr s THR 3 Ca 0.30 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 61.90 1egr s THR 3 Cb -0.07 -2.85 0.03 0.00 0.01 0.00 0.00 72.50 69.63 1egr s THR 3 CO 0.18 0.50 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.85 1egr s VAL 4 N -0.98 1.10 -0.15 3.82 1.01 0.10 0.25 120.40 125.55 1egr s VAL 4 Ca 0.16 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 1egr s VAL 4 Cb -0.11 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1egr s VAL 4 CO 0.06 0.25 -0.01 -0.63 0.00 0.00 0.00 175.10 174.78 1egr s ILE 5 N 1.66 4.19 -0.34 2.22 1.09 -0.02 -0.90 121.20 129.10 1egr s ILE 5 Ca 0.03 -0.26 -0.04 0.00 -1.10 0.00 0.00 60.65 59.28 1egr s ILE 5 Cb -0.14 -2.84 0.05 0.00 -1.06 0.00 0.00 42.46 38.48 1egr s ILE 5 CO -0.08 0.50 0.09 -0.36 -0.10 0.00 0.00 174.94 174.99 1egr s PHE 6 N 0.14 3.30 0.05 3.97 0.08 -0.80 -1.21 117.98 123.51 1egr s PHE 6 Ca 0.01 -1.72 0.01 0.00 0.12 0.00 0.00 56.93 55.34 1egr s PHE 6 Cb -0.13 -2.37 -0.00 0.00 -0.57 0.00 0.00 43.02 39.94 1egr s PHE 6 CO 0.02 -0.79 0.02 0.41 -0.10 0.00 0.00 175.22 174.78 1egr n GLY 7 N 4.72 3.99 3.56 4.36 0.00 -0.93 -3.06 105.19 117.83 1egr n GLY 7 Ca -0.11 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.18 2.25 0.15 1.61 1.70 -1.26 -1.35 118.95 119.87 1egr s ARG 8 Ca 0.03 -0.92 -0.34 0.00 -0.47 0.00 0.00 55.73 54.02 1egr s ARG 8 Cb 0.00 -2.35 -0.15 0.00 -0.57 0.00 0.00 34.95 31.89 1egr s ARG 8 CO 0.02 0.54 1.48 0.45 -1.08 0.00 0.00 175.30 176.71 1egr n SER 9 N 1.12 2.59 0.00 -2.89 2.88 -1.26 -4.75 113.62 111.32 1egr n SER 9 Ca -0.14 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1egr n SER 9 Cb 0.52 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1egr n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1egr n GLY 10 N 3.01 2.36 1.44 0.46 0.00 -1.26 -5.13 105.19 106.07 1egr n GLY 10 Ca 0.17 -1.83 -0.00 0.00 0.00 0.00 0.00 46.02 44.36 1egr n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1egr n PRO 12 N 0.50 1.01 0.00 0.00 -0.02 -1.26 -4.17 135.00 131.07 1egr n PRO 12 Ca -0.02 -0.94 -0.00 0.00 -2.02 0.00 0.00 63.50 60.52 1egr n PRO 12 Cb 0.03 -2.19 -0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1egr n PRO 12 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1egr n TYR 13 N 4.50 0.00 -0.32 6.00 9.36 -1.26 -4.49 117.16 130.95 1egr n TYR 13 Ca 0.22 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.52 1egr n TYR 13 Cb 0.08 -0.00 0.24 0.00 -0.63 0.00 0.00 39.34 39.03 1egr n TYR 13 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1egr h VAL 15 N 0.71 0.20 -1.36 0.00 2.07 -1.84 0.15 116.25 116.17 1egr h VAL 15 Ca 0.49 -0.06 0.41 0.00 0.82 0.00 0.00 66.70 68.36 1egr h VAL 15 Cb 0.67 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.35 1egr h VAL 15 CO -0.35 0.03 0.92 -0.09 0.02 0.00 0.00 177.57 178.11 1egr h ARG 16 N 0.18 0.10 -0.30 1.57 9.65 -0.63 0.91 114.38 125.86 1egr h ARG 16 Ca 0.70 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 59.50 1egr h ARG 16 Cb 1.60 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 30.15 1egr h ARG 16 CO -0.70 0.07 -0.08 0.00 2.80 0.00 0.00 179.97 182.06 1egr h ALA 17 N 1.46 0.42 -0.38 2.80 0.00 -0.85 0.74 119.26 123.45 1egr h ALA 17 Ca 0.75 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 55.44 1egr h ALA 17 Cb 2.54 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 20.15 1egr h ALA 17 CO -0.24 0.25 -0.06 -0.22 0.00 0.00 0.00 179.25 178.98 1egr h LYS 18 N 0.35 0.04 0.59 0.00 3.64 0.72 -0.42 116.57 121.49 1egr h LYS 18 Ca 0.08 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1egr h LYS 18 Cb 0.57 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1egr h LYS 18 CO 0.03 0.02 -0.51 -0.44 -2.27 0.00 0.00 179.45 176.29 1egr h ASP 19 N 0.04 -1.36 -0.54 4.20 3.32 -1.10 0.51 116.42 121.49 1egr h ASP 19 Ca 0.18 0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.39 1egr h ASP 19 Cb 0.27 0.43 -0.08 0.00 0.22 0.00 0.00 39.33 40.17 1egr h ASP 19 CO -0.36 -0.70 -0.50 0.25 -1.72 0.00 0.00 179.24 176.21 1egr h LEU 20 N -1.07 -1.73 -0.78 1.55 5.85 -0.23 0.74 115.31 119.64 1egr h LEU 20 Ca -0.08 0.24 0.12 0.00 0.84 0.00 0.00 57.88 59.00 1egr h LEU 20 Cb 0.91 0.73 -0.08 0.00 0.37 0.00 0.00 40.66 42.58 1egr h LEU 20 CO -0.01 -0.30 0.38 0.00 -0.34 0.00 0.00 178.44 178.17 1egr h ALA 21 N -0.02 1.11 0.46 1.25 0.00 -0.87 0.12 119.26 121.31 1egr h ALA 21 Ca 0.09 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1egr h ALA 21 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1egr h ALA 21 CO -0.63 -0.08 -0.22 1.49 0.00 0.00 0.00 179.25 179.81 1egr h GLU 22 N 0.59 -0.59 -0.82 0.00 4.81 0.22 0.57 114.58 119.36 1egr h GLU 22 Ca 0.40 0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.84 1egr h GLU 22 Cb 0.52 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 29.93 1egr h GLU 22 CO -0.33 -0.29 0.36 -0.22 -0.73 0.00 0.00 179.01 177.80 1egr h LYS 23 N -0.87 0.48 -0.34 1.92 3.11 0.91 0.40 116.57 122.17 1egr h LYS 23 Ca -0.06 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.69 1egr h LYS 23 Cb 0.57 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.69 1egr h LYS 23 CO 0.10 0.31 -0.03 -0.07 -2.81 0.00 0.00 179.45 176.95 1egr h LEU 24 N 0.49 0.62 -0.56 5.20 3.38 -0.62 -3.01 115.31 120.81 1egr h LEU 24 Ca 0.47 -0.33 0.11 0.00 0.09 0.00 0.00 57.88 58.22 1egr h LEU 24 Cb 0.74 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 1egr h LEU 24 CO -0.42 0.80 -0.03 -1.28 0.09 0.00 0.00 178.44 177.60 1egr h SER 25 N 0.42 -0.31 -0.19 -0.43 0.87 0.39 0.10 113.55 114.40 1egr h SER 25 Ca 0.09 0.14 -0.12 0.00 -1.23 0.00 0.00 61.79 60.67 1egr h SER 25 Cb 0.51 0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 62.68 1egr h SER 25 CO 0.02 -0.12 0.16 -3.20 -0.53 0.00 0.00 176.83 173.16 1egr n ASN 26 N -5.29 5.43 0.00 6.23 5.15 0.10 -0.53 115.26 126.36 1egr n ASN 26 Ca 0.07 -2.62 0.00 0.00 -0.60 0.00 0.00 54.58 51.43 1egr n ASN 26 Cb 0.31 -1.03 0.00 0.00 -0.53 0.00 0.00 39.78 38.53 1egr n ASN 26 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1egr n GLU 27 N 0.93 0.00 -0.09 1.20 2.13 0.22 -4.93 120.64 120.10 1egr n GLU 27 Ca 0.12 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.84 1egr n GLU 27 Cb 0.56 -0.06 -0.12 0.00 0.27 0.00 0.00 31.44 32.09 1egr n GLU 27 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1egr n ARG 28 N -2.59 1.13 -0.99 5.31 1.74 -0.39 -5.01 116.66 115.86 1egr n ARG 28 Ca 0.00 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1egr n ARG 28 Cb 0.06 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1egr n ARG 28 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1egr n ASP 29 N -2.74 -2.78 -0.42 0.55 8.00 0.31 -4.88 116.55 114.60 1egr n ASP 29 Ca -0.29 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.25 1egr n ASP 29 Cb 0.99 -0.65 0.09 0.00 -0.02 0.00 0.00 41.12 41.53 1egr n ASP 29 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1egr n ASP 30 N -0.07 2.41 -4.23 -2.24 5.75 -1.26 -5.00 116.55 111.91 1egr n ASP 30 Ca 0.00 -1.84 -0.26 0.00 -0.01 0.00 0.00 54.79 52.68 1egr n ASP 30 Cb 0.03 -0.12 -0.15 0.00 -1.03 0.00 0.00 41.12 39.85 1egr n ASP 30 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1egr s PHE 31 N -0.92 1.81 0.35 2.11 5.36 -1.26 -4.87 117.98 120.57 1egr s PHE 31 Ca 0.15 -0.36 0.04 0.00 -0.96 0.00 0.00 56.93 55.80 1egr s PHE 31 Cb 0.08 -1.12 -0.06 0.00 -0.34 0.00 0.00 43.02 41.57 1egr s PHE 31 CO 0.11 0.03 0.05 -0.65 -1.46 0.00 0.00 175.22 173.30 1egr s GLN 32 N -0.82 1.75 0.20 10.12 1.11 -0.48 -4.49 119.66 127.06 1egr s GLN 32 Ca 0.08 -1.99 -0.04 0.00 0.01 0.00 0.00 55.36 53.42 1egr s GLN 32 Cb -0.08 -1.01 -0.03 0.00 -1.01 0.00 0.00 33.01 30.88 1egr s GLN 32 CO 0.00 -0.19 0.20 1.52 0.01 0.00 0.00 175.29 176.83 1egr s TYR 33 N -3.17 0.93 -0.13 0.91 -0.85 -1.26 0.73 117.35 114.51 1egr s TYR 33 Ca 0.34 -1.20 -0.06 0.00 -0.52 0.00 0.00 57.07 55.63 1egr s TYR 33 Cb 0.08 -0.37 0.05 0.00 0.38 0.00 0.00 41.96 42.11 1egr s TYR 33 CO 0.15 -0.71 0.30 -0.65 -1.52 0.00 0.00 175.55 173.13 1egr s GLN 34 N -4.11 0.26 -0.30 -3.49 -1.52 0.70 -4.65 119.66 106.55 1egr s GLN 34 Ca 0.33 0.66 -0.03 0.00 -1.95 0.00 0.00 55.36 54.37 1egr s GLN 34 Cb 0.05 -0.06 0.04 0.00 -0.22 0.00 0.00 33.01 32.82 1egr s GLN 34 CO 0.10 -0.18 0.01 -0.47 -0.25 0.00 0.00 175.29 174.50 1egr s TYR 35 N 1.51 3.22 0.22 0.91 5.04 -1.26 -0.84 117.35 126.14 1egr s TYR 35 Ca -0.08 -1.69 0.10 0.00 -2.44 0.00 0.00 57.07 52.96 1egr s TYR 35 Cb -0.10 -2.13 -0.05 0.00 0.35 0.00 0.00 41.96 40.03 1egr s TYR 35 CO -0.10 -0.77 -0.19 0.08 -1.34 0.00 0.00 175.55 173.24 1egr s VAL 36 N 1.30 2.12 -0.09 3.14 1.01 -0.35 -4.96 120.40 122.58 1egr s VAL 36 Ca -0.03 -2.17 -0.01 0.00 0.00 0.00 0.00 61.98 59.76 1egr s VAL 36 Cb -0.19 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1egr s VAL 36 CO -0.01 -0.37 -0.03 -0.62 0.00 0.00 0.00 175.10 174.07 1egr s ASP 37 N -3.10 5.00 0.46 3.32 2.15 -1.26 -2.20 116.67 121.04 1egr s ASP 37 Ca 0.23 0.06 0.24 0.00 0.43 0.00 0.00 52.55 53.52 1egr s ASP 37 Cb -0.05 -1.40 1.26 0.00 -0.30 0.00 0.00 42.92 42.44 1egr s ASP 37 CO 0.10 0.35 1.83 0.16 -0.17 0.00 0.00 175.17 177.44 1egr h ILE 38 N 4.27 0.56 0.00 4.11 3.07 -1.54 -2.12 117.51 125.85 1egr h ILE 38 Ca -0.48 -0.08 -0.00 0.00 1.55 0.00 0.00 64.86 65.84 1egr h ILE 38 Cb 1.18 0.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.03 1egr h ILE 38 CO 0.54 0.04 -0.00 -0.09 -1.05 0.00 0.00 178.15 177.60 1egr h ARG 39 N 0.24 -0.00 -0.55 0.16 1.12 -1.85 0.33 114.38 113.83 1egr h ARG 39 Ca 0.51 0.00 0.09 0.00 -1.11 0.00 0.00 59.98 59.48 1egr h ARG 39 Cb 1.58 0.00 -0.09 0.00 -0.01 0.00 0.00 29.97 31.44 1egr h ARG 39 CO -0.15 0.64 -0.19 0.00 -3.11 0.00 0.00 179.97 177.16 1egr n ALA 40 N -2.43 0.00 0.06 2.80 0.00 -0.80 -0.26 120.51 119.88 1egr n ALA 40 Ca -0.09 0.57 -0.22 0.00 0.00 0.00 0.00 53.44 53.71 1egr n ALA 40 Cb 0.32 -0.29 -0.15 0.00 0.00 0.00 0.00 19.45 19.33 1egr n ALA 40 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1egr h GLU 41 N 0.00 0.34 0.00 0.00 5.08 -1.61 -3.49 114.58 114.90 1egr h GLU 41 Ca 0.22 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1egr h GLU 41 Cb 0.36 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1egr h GLU 41 CO -0.56 1.27 0.00 0.41 -1.00 0.00 0.00 179.01 179.14 1egr n GLY 42 N 1.71 0.81 3.66 -3.84 0.00 0.64 -5.13 105.19 103.04 1egr n GLY 42 Ca -0.19 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.30 4.10 0.00 -0.61 1.01 0.11 -5.01 121.20 120.50 1egr s ILE 43 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1egr s ILE 43 Cb 0.00 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.72 1egr s ILE 43 CO 0.00 0.53 0.00 0.35 0.00 0.00 0.00 174.94 175.82 1egr n THR 44 N 1.91 0.00 0.00 2.92 -2.24 -1.26 -4.46 114.28 111.15 1egr n THR 44 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1egr n THR 44 Cb 0.53 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1egr n THR 44 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1egr n LYS 45 N -0.10 0.00 -0.11 -0.78 4.81 -1.26 -4.78 118.16 115.94 1egr n LYS 45 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1egr n LYS 45 Cb 0.00 -0.09 -0.03 0.00 0.02 0.00 0.00 35.03 34.93 1egr n LYS 45 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1egr h GLU 46 N 0.00 -0.29 0.29 1.64 3.07 -1.97 0.64 114.58 117.95 1egr h GLU 46 Ca 0.00 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1egr h GLU 46 Cb 0.00 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 1egr h GLU 46 CO 0.00 -0.20 -0.48 0.22 -1.40 0.00 0.00 179.01 177.15 1egr h ASP 47 N -0.31 -1.38 -0.97 1.42 1.82 -1.97 0.17 116.42 115.21 1egr h ASP 47 Ca 0.15 0.13 0.17 0.00 -0.39 0.00 0.00 57.03 57.09 1egr h ASP 47 Cb 0.57 0.48 -0.09 0.00 0.68 0.00 0.00 39.33 40.97 1egr h ASP 47 CO -0.54 -0.57 0.61 -0.07 -1.61 0.00 0.00 179.24 177.06 1egr h LEU 48 N -0.82 0.72 0.07 2.28 3.38 -1.75 0.44 115.31 119.63 1egr h LEU 48 Ca -0.03 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1egr h LEU 48 Cb 0.76 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1egr h LEU 48 CO -0.16 0.31 -0.20 -0.61 0.09 0.00 0.00 178.44 177.86 1egr h GLN 49 N 0.73 -0.35 -0.32 1.13 5.75 0.14 0.21 115.11 122.40 1egr h GLN 49 Ca 0.52 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 59.08 1egr h GLN 49 Cb 0.84 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.43 1egr h GLN 49 CO -0.28 -0.23 0.10 0.37 -2.65 0.00 0.00 178.83 176.13 1egr h GLN 50 N -0.36 0.23 -0.13 1.69 4.15 0.23 0.16 115.11 121.08 1egr h GLN 50 Ca 0.04 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.47 1egr h GLN 50 Cb 0.41 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 1egr h GLN 50 CO -0.14 0.15 -0.06 0.87 -1.93 0.00 0.00 178.83 177.72 1egr h LYS 51 N 0.24 -0.05 0.31 1.69 1.79 0.20 -3.14 116.57 117.60 1egr h LYS 51 Ca 0.14 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.60 1egr h LYS 51 Cb 0.12 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1egr h LYS 51 CO -0.16 -0.04 -0.15 0.00 -1.08 0.00 0.00 179.45 178.03 1egr h ALA 52 N 1.06 -0.42 0.00 3.86 0.00 -0.26 -3.47 119.26 120.03 1egr h ALA 52 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1egr h ALA 52 Cb 0.16 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1egr h ALA 52 CO -0.16 -0.64 0.00 0.41 0.00 0.00 0.00 179.25 178.86 1egr n GLY 53 N -0.76 1.94 3.29 0.00 0.00 0.54 -4.94 105.19 105.26 1egr n GLY 53 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1egr n GLY 53 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1egr n LYS 54 N -1.38 0.76 -1.70 1.61 2.85 -1.25 -5.01 118.16 114.04 1egr n LYS 54 Ca 0.00 -3.36 -0.41 0.00 -1.05 0.00 0.00 58.31 53.49 1egr n LYS 54 Cb 0.00 1.23 0.01 0.00 -0.65 0.00 0.00 35.03 35.62 1egr n LYS 54 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1egr n PRO 55 N -1.06 1.91 -3.28 -1.58 -0.02 -1.26 -4.79 135.00 124.92 1egr n PRO 55 Ca -0.14 0.68 -0.06 0.00 -2.02 0.00 0.00 63.50 61.96 1egr n PRO 55 Cb 0.59 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 1egr n PRO 55 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1egr s VAL 56 N -1.20 -0.72 -0.18 -1.45 1.01 -1.26 -5.01 120.40 111.59 1egr s VAL 56 Ca 0.61 -0.19 0.09 0.00 0.00 0.00 0.00 61.98 62.49 1egr s VAL 56 Cb -0.51 -0.96 -0.12 0.00 0.00 0.00 0.00 36.38 34.79 1egr s VAL 56 CO 0.58 -0.19 0.27 -0.62 0.00 0.00 0.00 175.10 175.14 1egr n GLU 57 N 5.37 1.89 -4.62 2.72 -0.58 -1.26 -4.89 120.64 119.28 1egr n GLU 57 Ca 0.00 -0.05 -0.28 0.00 -0.42 0.00 0.00 57.16 56.42 1egr n GLU 57 Cb 0.50 -1.09 -0.10 0.00 -0.57 0.00 0.00 31.44 30.19 1egr n GLU 57 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1egr s THR 58 N -2.29 1.62 0.41 2.62 2.01 -1.26 -5.16 115.64 113.59 1egr s THR 58 Ca -0.01 -2.00 0.08 0.00 0.31 0.00 0.00 61.69 60.07 1egr s THR 58 Cb 0.06 -2.75 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 1egr s THR 58 CO 0.37 0.00 0.41 0.68 -0.69 0.00 0.00 174.62 175.39 1egr s VAL 59 N -2.86 2.85 0.54 3.82 -7.23 -1.26 -4.79 120.40 111.46 1egr s VAL 59 Ca 0.28 -1.27 0.09 0.00 -1.81 0.00 0.00 61.98 59.28 1egr s VAL 59 Cb 0.08 -3.03 0.07 0.00 0.56 0.00 0.00 36.38 34.06 1egr s VAL 59 CO 0.14 -0.02 0.74 -2.16 -0.31 0.00 0.00 175.10 173.49 1egr s PRO 60 N -4.16 2.43 -0.01 4.82 0.04 -1.26 -5.09 135.00 131.77 1egr s PRO 60 Ca 0.49 -1.55 0.06 0.00 0.04 0.00 0.00 61.00 60.04 1egr s PRO 60 Cb -0.05 -2.67 -0.02 0.00 0.04 0.00 0.00 34.50 31.80 1egr s PRO 60 CO 0.29 -0.73 -0.19 -0.65 0.04 0.00 0.00 177.00 175.76 1egr s GLN 61 N -4.60 1.51 0.04 4.56 -1.52 -1.17 -4.25 119.66 114.23 1egr s GLN 61 Ca 0.60 -0.72 0.06 0.00 -1.95 0.00 0.00 55.36 53.36 1egr s GLN 61 Cb -0.07 -1.48 -0.02 0.00 -0.22 0.00 0.00 33.01 31.22 1egr s GLN 61 CO 0.38 0.40 -0.18 0.42 -0.25 0.00 0.00 175.29 176.06 1egr s ILE 62 N -0.50 1.45 0.15 1.08 1.01 0.35 -1.91 121.20 122.83 1egr s ILE 62 Ca 0.07 -1.12 0.02 0.00 0.00 0.00 0.00 60.65 59.63 1egr s ILE 62 Cb -0.08 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 1egr s ILE 62 CO -0.00 0.13 -0.04 -0.36 0.00 0.00 0.00 174.94 174.67 1egr s PHE 63 N -0.81 1.17 -0.07 3.97 0.40 -0.07 -0.61 117.98 121.96 1egr s PHE 63 Ca 0.05 -0.93 -0.03 0.00 -0.60 0.00 0.00 56.93 55.42 1egr s PHE 63 Cb -0.08 -0.66 0.04 0.00 0.51 0.00 0.00 43.02 42.83 1egr s PHE 63 CO 0.02 -0.12 0.10 0.08 0.70 0.00 0.00 175.22 176.00 1egr s VAL 64 N -3.56 -0.17 0.00 -0.44 1.01 -0.64 -0.72 120.40 115.88 1egr s VAL 64 Ca 0.20 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1egr s VAL 64 Cb 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.19 1egr s VAL 64 CO 0.02 0.13 0.00 0.47 0.00 0.00 0.00 175.10 175.72 1egr n ASP 65 N 5.31 0.00 -1.04 3.32 9.92 -0.93 0.57 116.55 133.70 1egr n ASP 65 Ca -0.04 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.23 1egr n ASP 65 Cb 0.50 0.00 0.15 0.00 -0.64 0.00 0.00 41.12 41.12 1egr n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1egr n GLN 66 N 0.00 1.66 -4.49 -1.24 10.64 -1.26 -5.04 117.38 117.65 1egr n GLN 66 Ca 0.00 -3.24 -0.24 0.00 -1.83 0.00 0.00 57.00 51.69 1egr n GLN 66 Cb 0.00 -1.47 -0.10 0.00 -0.86 0.00 0.00 30.24 27.81 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 -2.81 1.68 -0.12 2.61 -0.21 0.19 -5.14 119.66 115.86 1egr s GLN 67 Ca 0.39 -1.86 0.02 0.00 0.02 0.00 0.00 55.36 53.94 1egr s GLN 67 Cb 0.38 -1.46 0.01 0.00 1.00 0.00 0.00 33.01 32.94 1egr s GLN 67 CO -0.07 0.11 -0.19 -1.58 -2.12 0.00 0.00 175.29 171.44 1egr s HIS 68 N -2.78 2.32 -0.23 0.91 5.65 -1.26 -1.63 115.29 118.28 1egr s HIS 68 Ca 0.31 -1.12 -0.16 0.00 0.25 0.00 0.00 55.06 54.34 1egr s HIS 68 Cb 0.02 -1.62 -0.09 0.00 -1.18 0.00 0.00 32.58 29.71 1egr s HIS 68 CO 0.14 -0.53 -0.30 -0.89 -0.65 0.00 0.00 174.74 172.50 1egr n ILE 69 N 4.09 1.51 0.00 0.89 2.08 0.22 -4.96 119.36 123.19 1egr n ILE 69 Ca -0.20 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.01 1egr n ILE 69 Cb 0.51 -2.12 0.00 0.00 -0.75 0.00 0.00 39.64 37.29 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 1.37 1.33 3.83 7.39 0.00 -0.46 -4.86 105.19 113.80 1egr n GLY 70 Ca -0.34 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 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 1.69 0.13 -0.02 0.00 -1.26 0.13 107.32 107.99 1egr s GLY 71 Ca 0.00 -1.60 -0.25 0.00 0.00 0.00 0.00 44.72 42.87 1egr s GLY 71 CO 0.00 -1.56 1.62 -1.82 0.00 0.00 0.00 173.10 171.34 1egr h TYR 72 N 1.34 -0.76 -0.39 1.90 3.20 -1.95 -3.03 116.97 117.28 1egr h TYR 72 Ca -0.46 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.48 1egr h TYR 72 Cb 1.25 0.35 -0.05 0.00 1.54 0.00 0.00 36.73 39.83 1egr h TYR 72 CO 0.55 -0.36 -0.23 0.25 -1.64 0.00 0.00 178.16 176.72 1egr n THR 73 N -5.39 -0.26 -0.27 1.81 -2.24 -1.26 -0.18 114.28 106.49 1egr n THR 73 Ca -0.03 1.45 0.04 0.00 -2.27 0.00 0.00 64.05 63.23 1egr n THR 73 Cb 0.31 -1.84 0.26 0.00 -2.10 0.00 0.00 70.33 66.95 1egr n THR 73 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1egr h ASP 74 N 0.00 0.86 -0.97 3.42 3.58 -1.91 -1.74 116.42 119.66 1egr h ASP 74 Ca 0.06 -0.00 0.32 0.00 0.42 0.00 0.00 57.03 57.83 1egr h ASP 74 Cb 0.16 -0.19 -0.16 0.00 1.72 0.00 0.00 39.33 40.87 1egr h ASP 74 CO -0.36 0.57 0.44 0.15 -2.88 0.00 0.00 179.24 177.16 1egr h PHE 75 N 0.98 0.70 -0.10 0.28 3.57 -0.45 0.54 116.94 122.47 1egr h PHE 75 Ca 0.36 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.94 1egr h PHE 75 Cb 0.15 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1egr h PHE 75 CO -0.00 -0.27 -0.15 0.00 -2.23 0.00 0.00 178.31 175.65 1egr h ALA 76 N 1.88 -0.10 0.25 2.41 0.00 -1.18 0.11 119.26 122.62 1egr h ALA 76 Ca 0.71 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.65 1egr h ALA 76 Cb 1.64 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1egr h ALA 76 CO -0.68 -0.62 -0.12 0.00 0.00 0.00 0.00 179.25 177.83 1egr h ALA 77 N 0.82 -0.33 -0.83 0.00 0.00 -0.20 -2.57 119.26 116.15 1egr h ALA 77 Ca 0.08 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1egr h ALA 77 Cb 0.33 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.11 1egr h ALA 77 CO -0.22 -0.51 -0.42 2.35 0.00 0.00 0.00 179.25 180.45 1egr h TRP 78 N -0.69 -1.22 -0.69 0.00 7.01 -0.43 0.74 115.95 120.66 1egr h TRP 78 Ca -0.03 0.10 0.14 0.00 2.11 0.00 0.00 58.89 61.20 1egr h TRP 78 Cb 0.48 0.65 -0.13 0.00 -2.10 0.00 0.00 29.16 28.06 1egr h TRP 78 CO 0.03 -0.40 -0.19 0.28 -2.79 0.00 0.00 178.44 175.37 1egr h VAL 79 N -0.08 0.29 -0.78 2.65 2.07 -0.69 -0.60 116.25 119.11 1egr h VAL 79 Ca 0.26 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.88 1egr h VAL 79 Cb 0.56 0.29 -0.12 0.00 -1.52 0.00 0.00 31.29 30.50 1egr h VAL 79 CO -0.86 0.00 -0.49 0.11 0.02 0.00 0.00 177.57 176.36 1egr h LYS 80 N -0.02 -0.13 -0.57 1.57 6.56 0.93 0.13 116.57 125.05 1egr h LYS 80 Ca 0.33 0.01 -0.20 0.00 -1.06 0.00 0.00 60.65 59.73 1egr h LYS 80 Cb 0.51 0.03 -0.12 0.00 -0.57 0.00 0.00 32.23 32.08 1egr h LYS 80 CO -0.71 -0.08 0.17 0.39 -2.06 0.00 0.00 179.45 177.15 1egr n GLU 81 N -5.37 2.87 -0.00 3.15 4.71 -0.88 -2.61 120.64 122.51 1egr n GLU 81 Ca 0.03 -3.05 -0.01 0.00 -0.01 0.00 0.00 57.16 54.12 1egr n GLU 81 Cb 0.33 -2.03 -0.00 0.00 -1.01 0.00 0.00 31.44 28.73 1egr n GLU 81 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1egr n ASN 82 N -0.62 4.25 -0.41 1.62 3.02 -0.29 -4.60 115.26 118.23 1egr n ASN 82 Ca 0.37 -0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.96 1egr n ASN 82 Cb 1.23 0.18 0.11 0.00 -0.61 0.00 0.00 39.78 40.68 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 -2.35 2.66 -3.24 3.41 4.77 0.31 -5.02 117.00 117.55 1egr n LEU 83 Ca -0.01 -2.15 -0.15 0.00 -0.03 0.00 0.00 56.01 53.67 1egr n LEU 83 Cb 0.52 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1egr n LEU 83 CO 0.01 0.65 -0.15 -0.90 -1.33 0.00 0.00 177.39 175.67 1egr n ASP 84 N -0.03 -2.78 0.00 -1.43 5.68 -1.07 -4.99 116.55 111.93 1egr n ASP 84 Ca 0.09 -0.56 0.00 0.00 -0.50 0.00 0.00 54.79 53.81 1egr n ASP 84 Cb 0.42 -0.92 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87