#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 4.34 -0.11 0.03 0.74 -1.26 -3.62 119.66 119.77 1egr s GLN 2 Ca 0.00 0.99 -0.12 0.00 0.05 0.00 0.00 55.36 56.28 1egr s GLN 2 Cb 0.00 -2.85 -0.05 0.00 1.10 0.00 0.00 33.01 31.21 1egr s GLN 2 CO 0.00 0.36 0.28 0.99 -0.55 0.00 0.00 175.29 176.37 1egr s THR 3 N -1.55 5.28 -0.13 -0.34 2.01 0.66 0.17 115.64 121.74 1egr s THR 3 Ca 0.45 0.54 0.01 0.00 0.31 0.00 0.00 61.69 63.00 1egr s THR 3 Cb -0.17 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1egr s THR 3 CO 0.22 0.49 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.81 1egr s VAL 4 N -0.25 1.47 -0.21 3.82 1.01 0.39 0.26 120.40 126.89 1egr s VAL 4 Ca 0.18 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 1egr s VAL 4 Cb -0.14 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1egr s VAL 4 CO 0.06 0.44 0.03 -0.63 0.00 0.00 0.00 175.10 175.00 1egr s ILE 5 N 1.31 4.17 -0.22 2.22 1.09 -0.46 -0.19 121.20 129.12 1egr s ILE 5 Ca 0.00 -0.23 0.00 0.00 -1.10 0.00 0.00 60.65 59.32 1egr s ILE 5 Cb -0.14 -2.91 0.02 0.00 -1.06 0.00 0.00 42.46 38.38 1egr s ILE 5 CO -0.07 0.40 -0.13 -0.36 -0.10 0.00 0.00 174.94 174.68 1egr s PHE 6 N 1.14 2.96 0.00 3.97 0.40 -0.40 -0.85 117.98 125.19 1egr s PHE 6 Ca 0.03 -1.65 0.00 0.00 -0.60 0.00 0.00 56.93 54.71 1egr s PHE 6 Cb -0.14 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.41 1egr s PHE 6 CO 0.02 -0.77 0.00 0.41 0.70 0.00 0.00 175.22 175.58 1egr n GLY 7 N 4.62 4.22 3.50 4.36 0.00 -0.64 -0.67 105.19 120.58 1egr n GLY 7 Ca -0.18 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.06 2.66 -0.07 1.61 1.70 -1.26 -4.55 118.95 115.99 1egr s ARG 8 Ca 0.00 -0.65 -0.07 0.00 -0.47 0.00 0.00 55.73 54.54 1egr s ARG 8 Cb 0.00 -2.47 -0.02 0.00 -0.57 0.00 0.00 34.95 31.88 1egr s ARG 8 CO 0.00 0.60 -0.15 -1.13 -1.08 0.00 0.00 175.30 173.55 1egr n SER 9 N 2.39 0.88 0.00 -2.89 3.41 -1.26 -4.50 113.62 111.65 1egr n SER 9 Ca -0.17 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1egr n SER 9 Cb 0.52 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 1.77 3.51 3.96 5.00 0.00 -1.26 -5.06 105.19 113.11 1egr n GLY 10 Ca -0.06 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.01 0.00 0.01 0.00 -0.04 -1.26 -4.22 135.00 127.47 1egr n PRO 12 Ca 0.02 -0.73 -0.01 0.00 -0.04 0.00 0.00 63.50 62.74 1egr n PRO 12 Cb 0.58 -2.15 -0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1egr n PRO 12 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1egr n TYR 13 N 7.13 0.00 -0.17 0.54 4.01 -1.26 -4.63 117.16 122.78 1egr n TYR 13 Ca 0.28 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 58.20 1egr n TYR 13 Cb 0.28 -0.06 0.54 0.00 -0.31 0.00 0.00 39.34 39.79 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 0.35 0.24 -0.56 0.00 2.07 -1.84 -0.42 116.25 116.09 1egr h VAL 15 Ca 0.39 -0.03 0.11 0.00 0.82 0.00 0.00 66.70 68.00 1egr h VAL 15 Cb 1.01 0.14 -0.10 0.00 -1.52 0.00 0.00 31.29 30.83 1egr h VAL 15 CO -0.12 0.02 -0.04 0.03 0.02 0.00 0.00 177.57 177.48 1egr h ARG 16 N 0.09 0.08 -0.41 1.57 2.47 -1.33 0.23 114.38 117.08 1egr h ARG 16 Ca 0.48 -0.00 0.09 0.00 -1.26 0.00 0.00 59.98 59.28 1egr h ARG 16 Cb 0.90 -0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 29.11 1egr h ARG 16 CO -0.75 0.05 -0.24 0.00 0.56 0.00 0.00 179.97 179.59 1egr h ALA 17 N 1.52 0.01 -0.64 0.04 0.00 -1.23 0.20 119.26 119.16 1egr h ALA 17 Ca 0.28 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.43 1egr h ALA 17 Cb 0.45 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 1egr h ALA 17 CO -0.50 -0.62 0.26 -0.22 0.00 0.00 0.00 179.25 178.17 1egr h LYS 18 N -0.17 0.44 0.61 0.00 3.11 -0.51 0.31 116.57 120.36 1egr h LYS 18 Ca 0.19 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.98 1egr h LYS 18 Cb 0.48 -0.10 0.01 0.00 -1.00 0.00 0.00 32.23 31.61 1egr h LYS 18 CO -0.51 0.29 -0.29 -0.44 -2.81 0.00 0.00 179.45 175.69 1egr h ASP 19 N 0.45 -0.69 0.07 4.20 3.32 0.11 0.47 116.42 124.36 1egr h ASP 19 Ca 0.33 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.38 1egr h ASP 19 Cb 0.40 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1egr h ASP 19 CO -0.31 -0.42 -0.12 0.25 -1.72 0.00 0.00 179.24 176.92 1egr h LEU 20 N -0.93 -0.34 -0.69 1.55 5.85 -0.45 0.72 115.31 121.02 1egr h LEU 20 Ca -0.08 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.73 1egr h LEU 20 Cb 0.66 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 1egr h LEU 20 CO 0.14 -0.18 0.39 0.00 -0.34 0.00 0.00 178.44 178.45 1egr h ALA 21 N 0.65 0.92 -0.29 1.25 0.00 -0.38 -1.52 119.26 119.89 1egr h ALA 21 Ca 0.02 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1egr h ALA 21 Cb 0.26 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1egr h ALA 21 CO -0.07 0.09 0.13 1.49 0.00 0.00 0.00 179.25 180.89 1egr h GLU 22 N 0.73 0.27 0.31 0.00 4.81 0.83 0.32 114.58 121.86 1egr h GLU 22 Ca 0.30 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1egr h GLU 22 Cb 0.16 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1egr h GLU 22 CO -0.17 0.18 -0.27 -0.22 -0.73 0.00 0.00 179.01 177.81 1egr h LYS 23 N 0.28 -0.57 -0.74 1.92 1.63 -0.06 0.23 116.57 119.26 1egr h LYS 23 Ca 0.12 0.04 0.16 0.00 -0.85 0.00 0.00 60.65 60.13 1egr h LYS 23 Cb 0.05 0.13 -0.11 0.00 -0.60 0.00 0.00 32.23 31.70 1egr h LYS 23 CO -0.10 -0.38 0.15 -0.07 -3.45 0.00 0.00 179.45 175.60 1egr h LEU 24 N -0.59 -0.06 -0.88 5.20 3.38 -0.89 0.95 115.31 122.41 1egr h LEU 24 Ca -0.02 0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.30 1egr h LEU 24 Cb 0.53 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 41.39 1egr h LEU 24 CO -0.03 -0.07 0.43 -1.28 0.09 0.00 0.00 178.44 177.58 1egr h SER 25 N 0.23 0.44 0.68 -0.43 0.87 0.12 0.39 113.55 115.85 1egr h SER 25 Ca 0.42 0.13 -0.13 0.00 -1.23 0.00 0.00 61.79 60.98 1egr h SER 25 Cb 0.73 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 1egr h SER 25 CO -0.54 0.10 -0.61 -1.13 -0.53 0.00 0.00 176.83 174.12 1egr h ASN 26 N 0.51 0.00 0.18 6.23 -0.00 0.40 -3.33 115.58 119.57 1egr h ASN 26 Ca 0.52 0.00 -0.35 0.00 -0.00 0.00 0.00 56.30 56.47 1egr h ASN 26 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.22 1egr h ASN 26 CO -0.45 0.61 -1.79 -0.33 -0.00 0.00 0.00 177.43 175.47 1egr h GLU 27 N 0.00 0.37 -6.27 6.67 4.39 0.17 -3.47 114.58 116.45 1egr h GLU 27 Ca -0.01 -0.63 -0.69 0.00 0.34 0.00 0.00 59.36 58.37 1egr h GLU 27 Cb 1.12 0.24 -0.24 0.00 -0.10 0.00 0.00 28.75 29.77 1egr h GLU 27 CO 0.08 1.30 -0.77 1.03 -1.16 0.00 0.00 179.01 179.49 1egr s ARG 28 N -2.57 2.55 0.20 2.33 0.52 0.11 -5.03 118.95 117.06 1egr s ARG 28 Ca -0.17 -0.70 -0.09 0.00 -0.52 0.00 0.00 55.73 54.25 1egr s ARG 28 Cb 0.06 -2.39 0.13 0.00 0.52 0.00 0.00 34.95 33.27 1egr s ARG 28 CO 0.84 0.60 1.76 -0.44 0.02 0.00 0.00 175.30 178.07 1egr h ASP 29 N 5.43 1.01 -0.14 0.23 5.19 -1.86 -2.31 116.42 123.97 1egr h ASP 29 Ca -0.45 -0.18 -0.00 0.00 -0.62 0.00 0.00 57.03 55.78 1egr h ASP 29 Cb 1.16 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 40.40 1egr h ASP 29 CO 0.50 0.92 0.00 -0.90 -3.12 0.00 0.00 179.24 176.65 1egr n ASP 30 N -4.33 2.17 -4.26 6.45 5.75 -1.26 -4.79 116.55 116.27 1egr n ASP 30 Ca 0.06 -2.23 -0.34 0.00 -0.01 0.00 0.00 54.79 52.27 1egr n ASP 30 Cb 0.19 -0.55 -0.15 0.00 -1.03 0.00 0.00 41.12 39.58 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 -1.41 2.85 0.27 2.11 2.19 -0.87 0.16 117.98 123.29 1egr s PHE 31 Ca 0.13 -1.08 0.02 0.00 0.33 0.00 0.00 56.93 56.33 1egr s PHE 31 Cb 0.10 -1.96 -0.04 0.00 -1.31 0.00 0.00 43.02 39.80 1egr s PHE 31 CO 0.04 -0.53 0.14 -0.65 1.83 0.00 0.00 175.22 176.04 1egr s GLN 32 N 1.08 1.48 -0.00 10.12 -0.21 -1.24 -4.21 119.66 126.68 1egr s GLN 32 Ca 0.00 -1.82 -0.08 0.00 0.02 0.00 0.00 55.36 53.48 1egr s GLN 32 Cb -0.15 -0.09 0.00 0.00 1.00 0.00 0.00 33.01 33.78 1egr s GLN 32 CO -0.03 -0.39 0.16 1.52 -2.12 0.00 0.00 175.29 174.43 1egr s TYR 33 N -3.73 0.00 -0.00 0.91 1.13 -1.26 -0.25 117.35 114.14 1egr s TYR 33 Ca 0.37 -0.05 0.01 0.00 -1.41 0.00 0.00 57.07 55.99 1egr s TYR 33 Cb 0.06 -0.02 -0.00 0.00 -1.10 0.00 0.00 41.96 40.90 1egr s TYR 33 CO 0.16 -0.29 -0.04 -1.14 -2.51 0.00 0.00 175.55 171.72 1egr s GLN 34 N -1.31 0.33 -0.15 -3.49 -0.44 0.14 -4.88 119.66 109.87 1egr s GLN 34 Ca -0.14 -0.14 0.01 0.00 -2.50 0.00 0.00 55.36 52.59 1egr s GLN 34 Cb -0.07 -0.33 0.02 0.00 -1.64 0.00 0.00 33.01 30.99 1egr s GLN 34 CO 0.02 0.08 -0.16 -0.47 0.50 0.00 0.00 175.29 175.26 1egr s TYR 35 N -0.07 2.26 0.14 1.67 5.04 -1.26 -1.36 117.35 123.77 1egr s TYR 35 Ca 0.01 -1.24 0.08 0.00 -2.44 0.00 0.00 57.07 53.48 1egr s TYR 35 Cb -0.02 -1.63 -0.04 0.00 0.35 0.00 0.00 41.96 40.62 1egr s TYR 35 CO -0.00 -0.66 -0.18 0.08 -1.34 0.00 0.00 175.55 173.45 1egr s VAL 36 N 1.33 1.68 -0.20 3.14 1.01 -0.03 -4.97 120.40 122.36 1egr s VAL 36 Ca 0.02 -1.77 -0.05 0.00 0.00 0.00 0.00 61.98 60.19 1egr s VAL 36 Cb -0.13 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1egr s VAL 36 CO -0.09 -0.26 -0.00 -0.62 0.00 0.00 0.00 175.10 174.12 1egr s ASP 37 N -2.40 4.80 0.35 3.32 2.15 -1.26 -1.62 116.67 122.02 1egr s ASP 37 Ca 0.12 -0.21 0.16 0.00 0.43 0.00 0.00 52.55 53.04 1egr s ASP 37 Cb -0.07 -1.82 1.20 0.00 -0.30 0.00 0.00 42.92 41.93 1egr s ASP 37 CO 0.05 0.06 1.58 0.16 -0.17 0.00 0.00 175.17 176.85 1egr h ILE 38 N 5.40 0.00 -0.01 4.11 3.07 -1.88 0.61 117.51 128.82 1egr h ILE 38 Ca -0.36 -0.00 -0.17 0.00 1.55 0.00 0.00 64.86 65.88 1egr h ILE 38 Cb 1.18 -0.00 -0.02 0.00 -0.27 0.00 0.00 36.82 37.71 1egr h ILE 38 CO 0.61 0.00 -0.76 -0.09 -1.05 0.00 0.00 178.15 176.86 1egr h ARG 39 N 0.00 0.11 -0.24 0.16 1.12 -1.94 0.14 114.38 113.73 1egr h ARG 39 Ca 0.79 -0.11 0.06 0.00 -1.11 0.00 0.00 59.98 59.61 1egr h ARG 39 Cb 1.99 0.03 -0.07 0.00 -0.01 0.00 0.00 29.97 31.91 1egr h ARG 39 CO -0.81 0.82 -0.26 0.00 -3.11 0.00 0.00 179.97 176.60 1egr h ALA 40 N 1.15 -0.17 0.03 2.80 0.00 -0.17 -3.25 119.26 119.65 1egr h ALA 40 Ca -0.02 0.07 -0.35 0.00 0.00 0.00 0.00 54.91 54.61 1egr h ALA 40 Cb 1.34 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 19.62 1egr h ALA 40 CO 0.11 -0.69 -2.11 0.39 0.00 0.00 0.00 179.25 176.95 1egr n GLU 41 N -5.39 0.68 0.00 0.00 1.02 -1.21 -5.01 120.64 110.74 1egr n GLU 41 Ca -0.01 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1egr n GLU 41 Cb 0.30 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1egr n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1egr n GLY 42 N 1.85 0.76 3.82 0.62 0.00 -0.07 -5.11 105.19 107.06 1egr n GLY 42 Ca -0.30 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.50 5.28 0.36 -0.61 1.01 0.28 -5.02 121.20 121.99 1egr s ILE 43 Ca 0.00 0.53 0.08 0.00 0.00 0.00 0.00 60.65 61.25 1egr s ILE 43 Cb 0.00 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 1egr s ILE 43 CO 0.00 0.54 0.29 0.42 0.00 0.00 0.00 174.94 176.19 1egr s THR 44 N -0.62 3.22 0.39 2.92 -4.23 -1.26 -4.68 115.64 111.38 1egr s THR 44 Ca 0.18 -1.42 0.09 0.00 -1.18 0.00 0.00 61.69 59.37 1egr s THR 44 Cb -0.14 -3.10 0.31 0.00 1.34 0.00 0.00 72.50 70.90 1egr s THR 44 CO 0.07 -0.13 1.96 0.50 -0.54 0.00 0.00 174.62 176.48 1egr h LYS 45 N 1.25 0.59 -0.10 3.99 3.64 -1.98 0.10 116.57 124.06 1egr h LYS 45 Ca -0.44 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 1egr h LYS 45 Cb 1.26 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1egr h LYS 45 CO 0.59 0.39 -0.07 0.93 -2.27 0.00 0.00 179.45 179.02 1egr h GLU 46 N 0.61 0.22 -0.12 1.90 3.07 -1.98 0.26 114.58 118.54 1egr h GLU 46 Ca 0.30 -0.11 0.02 0.00 -0.50 0.00 0.00 59.36 59.08 1egr h GLU 46 Cb 0.40 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1egr h GLU 46 CO -0.10 0.60 -0.03 0.22 -1.40 0.00 0.00 179.01 178.31 1egr h ASP 47 N -0.16 -0.10 -0.01 1.42 3.58 -1.68 0.44 116.42 119.91 1egr h ASP 47 Ca 0.02 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.54 1egr h ASP 47 Cb 0.55 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.62 1egr h ASP 47 CO 0.02 -0.04 -0.28 -0.07 -2.88 0.00 0.00 179.24 176.00 1egr h LEU 48 N 0.00 -0.82 -0.32 2.28 3.38 -0.73 0.28 115.31 119.38 1egr h LEU 48 Ca 0.06 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.21 1egr h LEU 48 Cb 0.09 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 1egr h LEU 48 CO -0.12 -0.34 -0.18 -0.61 0.09 0.00 0.00 178.44 177.27 1egr h GLN 49 N -0.42 -0.14 -0.06 1.13 -0.00 0.05 0.57 115.11 116.25 1egr h GLN 49 Ca 0.06 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.76 1egr h GLN 49 Cb 0.51 0.03 -0.05 0.00 0.00 0.00 0.00 27.48 27.96 1egr h GLN 49 CO -0.24 -0.09 -0.28 0.37 0.00 0.00 0.00 178.83 178.59 1egr h GLN 50 N -0.14 -0.37 -0.91 1.69 4.15 0.64 -0.38 115.11 119.79 1egr h GLN 50 Ca 0.17 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.71 1egr h GLN 50 Cb 0.39 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.10 1egr h GLN 50 CO -0.41 -0.25 0.58 0.87 -1.93 0.00 0.00 178.83 177.70 1egr h LYS 51 N -0.39 0.86 -0.22 1.69 1.57 0.66 -2.20 116.57 118.54 1egr h LYS 51 Ca 0.08 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1egr h LYS 51 Cb 0.50 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1egr h LYS 51 CO -0.28 0.57 0.13 0.00 -0.57 0.00 0.00 179.45 179.30 1egr h ALA 52 N 1.55 0.27 0.00 3.86 0.00 0.17 -3.45 119.26 121.66 1egr h ALA 52 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1egr h ALA 52 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1egr h ALA 52 CO -0.19 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.20 1egr n GLY 53 N -1.16 2.53 3.34 0.00 0.00 -0.48 -4.73 105.19 104.70 1egr n GLY 53 Ca -0.03 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 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 1.30 -1.18 1.61 1.02 -1.26 -5.01 119.74 116.22 1egr s LYS 54 Ca 0.00 -1.40 -0.17 0.00 0.02 0.00 0.00 55.97 54.41 1egr s LYS 54 Cb 0.00 -1.42 -0.04 0.00 -0.52 0.00 0.00 37.83 35.85 1egr s LYS 54 CO 0.00 0.30 2.10 -0.35 -0.92 0.00 0.00 175.35 176.48 1egr n PRO 55 N 0.37 2.30 -3.95 -1.68 -0.04 -1.26 -4.86 135.00 125.87 1egr n PRO 55 Ca -0.14 -2.29 -0.18 0.00 -0.04 0.00 0.00 63.50 60.85 1egr n PRO 55 Cb 0.56 -3.14 -0.16 0.00 -0.04 0.00 0.00 33.50 30.72 1egr n PRO 55 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1egr s VAL 56 N 3.95 0.25 -0.60 0.52 0.11 -1.26 -5.07 120.40 118.31 1egr s VAL 56 Ca 0.51 0.06 0.06 0.00 -2.93 0.00 0.00 61.98 59.68 1egr s VAL 56 Cb 0.14 -0.35 0.28 0.00 -1.53 0.00 0.00 36.38 34.92 1egr s VAL 56 CO -0.00 0.17 0.78 -0.62 -3.33 0.00 0.00 175.10 172.10 1egr n GLU 57 N 4.25 2.53 -4.30 1.54 1.02 -1.26 -4.53 120.64 119.89 1egr n GLU 57 Ca -0.24 -4.58 -0.30 0.00 -0.02 0.00 0.00 57.16 52.03 1egr n GLU 57 Cb 0.50 -2.16 -0.10 0.00 -0.02 0.00 0.00 31.44 29.66 1egr n GLU 57 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1egr s THR 58 N -2.88 3.22 0.03 2.62 -4.23 -1.26 -5.06 115.64 108.09 1egr s THR 58 Ca 0.42 -1.28 0.08 0.00 -1.18 0.00 0.00 61.69 59.73 1egr s THR 58 Cb 0.19 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.52 1egr s THR 58 CO -0.05 0.15 -0.22 0.68 -0.54 0.00 0.00 174.62 174.64 1egr s VAL 59 N -1.16 2.48 1.11 2.29 -7.23 -1.26 -3.61 120.40 113.02 1egr s VAL 59 Ca 0.20 -1.24 -0.14 0.00 -1.81 0.00 0.00 61.98 58.99 1egr s VAL 59 Cb -0.11 -2.00 0.25 0.00 0.56 0.00 0.00 36.38 35.08 1egr s VAL 59 CO 0.12 0.38 1.06 -2.84 -0.31 0.00 0.00 175.10 173.51 1egr s PRO 60 N -1.25 -0.48 0.09 4.82 0.02 -1.26 -5.01 135.00 131.92 1egr s PRO 60 Ca 0.13 0.53 0.05 0.00 0.02 0.00 0.00 61.00 61.73 1egr s PRO 60 Cb -0.10 -1.63 -0.03 0.00 0.02 0.00 0.00 34.50 32.75 1egr s PRO 60 CO 0.03 -3.35 -0.13 -1.14 -0.33 0.00 0.00 177.00 172.08 1egr s GLN 61 N -4.82 0.90 0.03 5.54 0.74 0.15 -4.81 119.66 117.39 1egr s GLN 61 Ca 0.67 -1.10 0.08 0.00 0.05 0.00 0.00 55.36 55.07 1egr s GLN 61 Cb -0.20 -0.81 -0.03 0.00 1.10 0.00 0.00 33.01 33.07 1egr s GLN 61 CO 0.60 0.16 -0.24 0.42 -0.55 0.00 0.00 175.29 175.68 1egr s ILE 62 N -1.80 1.96 0.23 -2.34 1.01 0.21 -1.28 121.20 119.21 1egr s ILE 62 Ca 0.03 -1.27 0.04 0.00 0.00 0.00 0.00 60.65 59.45 1egr s ILE 62 Cb -0.07 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 1egr s ILE 62 CO 0.02 0.36 0.00 -0.36 0.00 0.00 0.00 174.94 174.96 1egr s PHE 63 N -0.76 1.58 -0.23 3.97 0.40 0.73 -1.36 117.98 122.32 1egr s PHE 63 Ca 0.10 -0.93 -0.04 0.00 -0.60 0.00 0.00 56.93 55.46 1egr s PHE 63 Cb -0.10 -0.92 0.08 0.00 0.51 0.00 0.00 43.02 42.60 1egr s PHE 63 CO 0.01 -0.04 0.10 0.08 0.70 0.00 0.00 175.22 176.07 1egr s VAL 64 N -3.42 0.08 0.00 -0.44 1.01 0.29 -0.46 120.40 117.46 1egr s VAL 64 Ca 0.29 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1egr s VAL 64 Cb 0.06 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1egr s VAL 64 CO 0.09 -0.47 0.00 -0.67 0.00 0.00 0.00 175.10 174.05 1egr n ASP 65 N 5.20 0.00 -0.82 3.32 -0.08 0.45 -0.09 116.55 124.54 1egr n ASP 65 Ca -0.07 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.24 1egr n ASP 65 Cb 0.46 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.94 1egr n ASP 65 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1egr n GLN 66 N 0.00 0.15 -4.26 -0.67 6.02 -1.26 -4.93 117.38 112.43 1egr n GLN 66 Ca 0.00 -1.54 -0.15 0.00 -0.01 0.00 0.00 57.00 55.30 1egr n GLN 66 Cb 0.00 -0.44 -0.10 0.00 1.02 0.00 0.00 30.24 30.72 1egr n GLN 66 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1egr s GLN 67 N -0.32 1.07 -0.08 -1.09 0.74 0.88 -5.16 119.66 115.70 1egr s GLN 67 Ca 0.15 -1.44 0.01 0.00 0.05 0.00 0.00 55.36 54.13 1egr s GLN 67 Cb 0.17 -0.68 -0.03 0.00 1.10 0.00 0.00 33.01 33.57 1egr s GLN 67 CO -0.06 0.09 -0.10 -1.58 -0.55 0.00 0.00 175.29 173.10 1egr s HIS 68 N -3.18 2.86 -0.19 1.67 5.65 -1.26 -0.55 115.29 120.29 1egr s HIS 68 Ca 0.16 -0.18 -0.05 0.00 0.25 0.00 0.00 55.06 55.24 1egr s HIS 68 Cb 0.02 -1.74 -0.10 0.00 -1.18 0.00 0.00 32.58 29.58 1egr s HIS 68 CO 0.01 0.15 -0.21 -0.89 -0.65 0.00 0.00 174.74 173.15 1egr n ILE 69 N 2.62 1.04 0.00 0.89 -0.00 -0.46 -4.91 119.36 118.54 1egr n ILE 69 Ca -0.18 -0.31 0.00 0.00 -0.00 0.00 0.00 62.75 62.26 1egr n ILE 69 Cb 0.53 -1.52 0.00 0.00 -0.00 0.00 0.00 39.64 38.64 1egr n ILE 69 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1egr n GLY 70 N 2.12 1.43 3.56 7.39 0.00 -0.78 -4.81 105.19 114.12 1egr n GLY 70 Ca -0.35 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 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 2.69 0.21 -0.02 0.00 -1.26 0.65 107.32 109.59 1egr s GLY 71 Ca 0.00 -1.09 -0.10 0.00 0.00 0.00 0.00 44.72 43.53 1egr s GLY 71 CO 0.00 -1.91 1.68 -1.82 0.00 0.00 0.00 173.10 171.05 1egr h TYR 72 N 1.70 0.08 -0.66 1.90 3.20 -1.96 -1.23 116.97 120.01 1egr h TYR 72 Ca -0.37 0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.63 1egr h TYR 72 Cb 1.28 0.06 -0.11 0.00 1.54 0.00 0.00 36.73 39.50 1egr h TYR 72 CO 1.50 -0.11 -0.47 1.79 -1.64 0.00 0.00 178.16 179.23 1egr h THR 73 N 0.18 0.05 -0.10 1.81 1.35 -2.00 0.15 112.91 114.37 1egr h THR 73 Ca 0.33 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.19 1egr h THR 73 Cb 0.52 0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1egr h THR 73 CO -0.47 0.00 0.06 0.44 -0.25 0.00 0.00 175.52 175.30 1egr h ASP 74 N -0.20 0.11 -0.71 5.36 5.19 -1.75 -2.63 116.42 121.80 1egr h ASP 74 Ca 0.18 -0.04 0.13 0.00 -0.62 0.00 0.00 57.03 56.68 1egr h ASP 74 Cb 0.55 -0.03 -0.13 0.00 0.18 0.00 0.00 39.33 39.90 1egr h ASP 74 CO -0.74 0.12 -0.27 0.15 -3.12 0.00 0.00 179.24 175.38 1egr h PHE 75 N 0.10 -0.68 0.34 4.55 3.57 0.08 0.72 116.94 125.61 1egr h PHE 75 Ca 0.03 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1egr h PHE 75 Cb 0.02 0.41 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1egr h PHE 75 CO -0.06 -0.36 -0.42 0.00 -2.23 0.00 0.00 178.31 175.24 1egr h ALA 76 N 1.40 -0.89 0.39 2.41 0.00 -0.69 0.20 119.26 122.09 1egr h ALA 76 Ca 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1egr h ALA 76 Cb 0.56 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1egr h ALA 76 CO -0.76 -1.04 -0.19 0.00 0.00 0.00 0.00 179.25 177.26 1egr h ALA 77 N -0.45 -0.53 -0.90 0.00 0.00 -1.09 -3.03 119.26 113.26 1egr h ALA 77 Ca -0.02 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.90 1egr h ALA 77 Cb 0.74 0.20 -0.16 0.00 0.00 0.00 0.00 17.79 18.58 1egr h ALA 77 CO -0.11 -0.74 -0.31 2.35 0.00 0.00 0.00 179.25 180.43 1egr h TRP 78 N -0.64 -0.81 -0.86 0.00 7.01 0.59 0.28 115.95 121.52 1egr h TRP 78 Ca -0.05 0.09 0.22 0.00 2.11 0.00 0.00 58.89 61.26 1egr h TRP 78 Cb 0.47 0.49 -0.15 0.00 -2.10 0.00 0.00 29.16 27.87 1egr h TRP 78 CO -0.02 -0.40 0.10 0.28 -2.79 0.00 0.00 178.44 175.61 1egr h VAL 79 N -0.03 0.25 -1.02 2.65 2.07 -0.47 0.47 116.25 120.18 1egr h VAL 79 Ca 0.37 -0.04 0.25 0.00 0.82 0.00 0.00 66.70 68.09 1egr h VAL 79 Cb 0.62 0.12 -0.11 0.00 -1.52 0.00 0.00 31.29 30.40 1egr h VAL 79 CO -0.92 0.02 0.62 0.50 0.02 0.00 0.00 177.57 177.81 1egr h LYS 80 N 0.12 0.52 0.00 1.57 3.11 -0.44 -0.62 116.57 120.83 1egr h LYS 80 Ca 0.51 -0.03 -0.22 0.00 -2.81 0.00 0.00 60.65 58.10 1egr h LYS 80 Cb 0.99 -0.12 -0.04 0.00 -1.00 0.00 0.00 32.23 32.06 1egr h LYS 80 CO -0.72 0.34 -1.83 -0.85 -2.81 0.00 0.00 179.45 173.58 1egr n GLU 81 N -4.79 1.76 0.14 1.90 0.28 -0.17 -3.57 120.64 116.19 1egr n GLU 81 Ca 0.26 0.01 0.06 0.00 -0.16 0.00 0.00 57.16 57.33 1egr n GLU 81 Cb 0.77 -1.31 0.04 0.00 1.43 0.00 0.00 31.44 32.38 1egr n GLU 81 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1egr h ASN 82 N 0.00 0.00 0.00 -1.84 -0.26 -0.97 -3.39 115.58 109.12 1egr h ASN 82 Ca -0.33 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.30 1egr h ASN 82 Cb 1.70 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.95 1egr h ASN 82 CO 0.01 0.30 -1.14 0.18 -1.06 0.00 0.00 177.43 175.71 1egr n LEU 83 N -3.04 1.38 0.00 1.61 7.99 -0.37 -4.93 117.00 119.64 1egr n LEU 83 Ca 0.00 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.23 1egr n LEU 83 Cb 0.67 -0.52 0.00 0.00 -0.11 0.00 0.00 43.42 43.45 1egr n LEU 83 CO 0.39 -0.13 0.00 -0.67 -1.51 0.00 0.00 177.39 175.47 1egr n ASP 84 N -3.90 0.00 -0.14 -1.43 -0.08 -0.44 -5.04 116.55 105.52 1egr n ASP 84 Ca -0.18 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.12 1egr n ASP 84 Cb 0.48 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.96 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32