#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 2.97 -0.69 0.03 -0.21 -1.26 -3.03 119.66 117.47 1egr s GLN 2 Ca 0.00 -1.52 -0.25 0.00 0.02 0.00 0.00 55.36 53.61 1egr s GLN 2 Cb 0.00 -4.20 0.05 0.00 1.00 0.00 0.00 33.01 29.86 1egr s GLN 2 CO 0.00 -1.17 1.11 0.99 -2.12 0.00 0.00 175.29 174.10 1egr s THR 3 N 1.61 4.05 -0.19 -0.19 2.01 0.03 0.37 115.64 123.33 1egr s THR 3 Ca 0.04 0.02 -0.07 0.00 0.31 0.00 0.00 61.69 61.99 1egr s THR 3 Cb -0.27 -4.79 -0.04 0.00 0.01 0.00 0.00 72.50 67.42 1egr s THR 3 CO 0.05 -1.63 0.05 -0.69 -0.69 0.00 0.00 174.62 171.71 1egr s VAL 4 N 4.82 4.50 -0.28 3.82 1.01 0.17 -0.53 120.40 133.90 1egr s VAL 4 Ca 0.28 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 1egr s VAL 4 Cb -0.13 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1egr s VAL 4 CO 0.13 0.43 0.35 -0.63 0.00 0.00 0.00 175.10 175.39 1egr s ILE 5 N 0.68 5.19 -0.38 2.22 -1.09 -0.21 -0.88 121.20 126.73 1egr s ILE 5 Ca 0.02 0.44 -0.11 0.00 -2.23 0.00 0.00 60.65 58.77 1egr s ILE 5 Cb -0.13 -3.70 0.04 0.00 -1.58 0.00 0.00 42.46 37.08 1egr s ILE 5 CO 0.02 0.12 0.22 -0.36 -1.23 0.00 0.00 174.94 173.71 1egr s PHE 6 N 2.03 3.26 0.00 3.97 0.08 -0.75 -1.14 117.98 125.42 1egr s PHE 6 Ca 0.14 -1.05 0.00 0.00 0.12 0.00 0.00 56.93 56.14 1egr s PHE 6 Cb -0.16 -2.52 0.00 0.00 -0.57 0.00 0.00 43.02 39.77 1egr s PHE 6 CO 0.10 -0.68 0.00 0.41 -0.10 0.00 0.00 175.22 174.95 1egr n GLY 7 N 4.99 1.74 2.36 4.36 0.00 -0.89 -2.33 105.19 115.41 1egr n GLY 7 Ca -0.12 0.43 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 1egr n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1egr n ARG 8 N 0.00 3.39 -0.09 1.61 1.85 -1.26 -4.50 116.66 117.66 1egr n ARG 8 Ca 0.00 -2.45 -0.15 0.00 -1.00 0.00 0.00 57.85 54.25 1egr n ARG 8 Cb 0.00 -2.44 -0.07 0.00 -1.05 0.00 0.00 32.46 28.90 1egr n ARG 8 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1egr n SER 9 N 2.09 1.84 0.00 2.89 3.41 -1.26 -4.92 113.62 117.67 1egr n SER 9 Ca 0.59 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 1egr n SER 9 Cb 0.44 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 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 1.50 1.75 3.84 5.00 0.00 -1.26 -4.90 105.19 111.12 1egr n GLY 10 Ca -0.23 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.21 0.48 0.00 0.00 -0.04 -1.26 -4.11 135.00 127.86 1egr n PRO 12 Ca 0.07 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.58 1egr n PRO 12 Cb 0.54 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 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 6.41 0.00 0.10 0.54 4.01 -1.26 -4.59 117.16 122.36 1egr n TYR 13 Ca 0.27 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 58.02 1egr n TYR 13 Cb 0.20 0.04 0.35 0.00 -0.31 0.00 0.00 39.34 39.61 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 0.26 0.23 -0.13 0.00 2.07 -1.85 0.39 116.25 117.23 1egr h VAL 15 Ca 0.05 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1egr h VAL 15 Cb 0.44 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1egr h VAL 15 CO 0.03 0.03 -0.09 -0.09 0.02 0.00 0.00 177.57 177.47 1egr h ARG 16 N 0.14 0.29 -0.57 1.57 9.65 -1.60 0.23 114.38 124.08 1egr h ARG 16 Ca 0.56 -0.13 0.09 0.00 -1.10 0.00 0.00 59.98 59.40 1egr h ARG 16 Cb 1.16 -0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.66 1egr h ARG 16 CO -0.72 0.65 0.18 0.00 2.80 0.00 0.00 179.97 182.87 1egr h ALA 17 N 0.63 0.71 0.41 2.80 0.00 -0.85 0.20 119.26 123.15 1egr h ALA 17 Ca 0.03 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1egr h ALA 17 Cb 0.57 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1egr h ALA 17 CO 0.02 -0.23 -0.49 -0.22 0.00 0.00 0.00 179.25 178.33 1egr h LYS 18 N 0.35 -0.88 -0.37 0.00 3.11 -0.07 0.32 116.57 119.02 1egr h LYS 18 Ca 0.29 0.06 0.08 0.00 -2.81 0.00 0.00 60.65 58.26 1egr h LYS 18 Cb 0.37 0.20 -0.09 0.00 -1.00 0.00 0.00 32.23 31.71 1egr h LYS 18 CO -0.32 -0.59 -0.33 0.22 -2.81 0.00 0.00 179.45 175.62 1egr h ASP 19 N -0.92 -1.09 0.29 4.20 1.82 -0.11 0.41 116.42 121.02 1egr h ASP 19 Ca -0.05 0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1egr h ASP 19 Cb 0.82 0.51 -0.03 0.00 0.68 0.00 0.00 39.33 41.30 1egr h ASP 19 CO -0.11 -0.33 -0.39 0.25 -1.61 0.00 0.00 179.24 177.06 1egr h LEU 20 N -0.27 -1.09 -0.85 2.28 5.85 -0.32 0.45 115.31 121.36 1egr h LEU 20 Ca 0.16 0.10 0.18 0.00 0.84 0.00 0.00 57.88 59.16 1egr h LEU 20 Cb 0.54 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 41.85 1egr h LEU 20 CO -0.52 -0.51 0.39 0.00 -0.34 0.00 0.00 178.44 177.46 1egr h ALA 21 N -0.28 1.30 0.13 1.25 0.00 0.30 0.72 119.26 122.68 1egr h ALA 21 Ca -0.01 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1egr h ALA 21 Cb 0.69 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1egr h ALA 21 CO -0.13 -0.22 -0.06 1.49 0.00 0.00 0.00 179.25 180.33 1egr h GLU 22 N 0.49 -0.16 -0.67 0.00 4.81 0.57 0.15 114.58 119.76 1egr h GLU 22 Ca 0.50 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.85 1egr h GLU 22 Cb 0.82 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 30.12 1egr h GLU 22 CO -0.44 0.12 -0.35 -0.22 -0.73 0.00 0.00 179.01 177.39 1egr h LYS 23 N -0.45 -0.13 -0.62 1.92 3.64 0.15 1.03 116.57 122.11 1egr h LYS 23 Ca -0.02 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1egr h LYS 23 Cb 0.36 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1egr h LYS 23 CO 0.03 -0.08 0.37 -0.07 -2.27 0.00 0.00 179.45 177.42 1egr h LEU 24 N -0.13 0.73 -2.14 5.20 3.38 -0.78 0.47 115.31 122.05 1egr h LEU 24 Ca 0.25 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1egr h LEU 24 Cb 0.56 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1egr h LEU 24 CO -0.74 0.57 0.05 -1.28 0.09 0.00 0.00 178.44 177.12 1egr h SER 25 N 0.85 0.00 -0.45 -0.43 0.87 0.39 -1.06 113.55 113.72 1egr h SER 25 Ca 0.22 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.56 1egr h SER 25 Cb -0.03 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 61.80 1egr h SER 25 CO -0.04 0.00 0.28 -3.20 -0.53 0.00 0.00 176.83 173.34 1egr n ASN 26 N -4.29 3.34 0.05 6.23 5.15 0.30 -4.32 115.26 121.70 1egr n ASN 26 Ca -0.02 -2.72 0.00 0.00 -0.60 0.00 0.00 54.58 51.24 1egr n ASN 26 Cb 0.15 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 38.75 1egr n ASN 26 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1egr n GLU 27 N -0.22 0.00 -4.03 1.20 1.02 -0.42 -5.06 120.64 113.13 1egr n GLU 27 Ca 0.27 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 57.10 1egr n GLU 27 Cb 1.02 -0.05 -0.06 0.00 -0.02 0.00 0.00 31.44 32.33 1egr n GLU 27 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1egr s ARG 28 N -1.40 3.00 0.05 3.49 3.00 -1.12 -5.05 118.95 120.92 1egr s ARG 28 Ca 0.00 -0.62 -0.27 0.00 0.00 0.00 0.00 55.73 54.84 1egr s ARG 28 Cb 0.00 -2.80 -0.17 0.00 0.00 0.00 0.00 34.95 31.98 1egr s ARG 28 CO 0.00 0.58 1.54 -0.44 0.00 0.00 0.00 175.30 176.99 1egr h ASP 29 N 3.37 -0.33 -0.33 0.23 3.32 -1.90 -3.11 116.42 117.66 1egr h ASP 29 Ca -0.47 -0.07 -0.23 0.00 0.02 0.00 0.00 57.03 56.28 1egr h ASP 29 Cb 1.16 0.09 -0.09 0.00 0.22 0.00 0.00 39.33 40.71 1egr h ASP 29 CO 0.67 -0.13 0.07 -0.67 -1.72 0.00 0.00 179.24 177.46 1egr n ASP 30 N -5.21 5.82 -3.77 6.45 2.03 -1.26 -4.49 116.55 116.12 1egr n ASP 30 Ca -0.10 -2.75 -0.29 0.00 0.52 0.00 0.00 54.79 52.18 1egr n ASP 30 Cb 0.21 -1.21 -0.12 0.00 -0.72 0.00 0.00 41.12 39.27 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 -0.50 2.65 -0.01 -0.67 5.36 -1.18 0.16 117.98 123.79 1egr s PHE 31 Ca 0.38 -2.89 0.02 0.00 -0.96 0.00 0.00 56.93 53.49 1egr s PHE 31 Cb 0.23 -2.20 -0.03 0.00 -0.34 0.00 0.00 43.02 40.67 1egr s PHE 31 CO -0.05 -0.69 -0.04 -0.65 -1.46 0.00 0.00 175.22 172.33 1egr s GLN 32 N -0.49 2.68 0.21 10.12 -0.21 -1.17 -4.00 119.66 126.80 1egr s GLN 32 Ca 0.23 -0.65 0.10 0.00 0.02 0.00 0.00 55.36 55.06 1egr s GLN 32 Cb -0.12 -2.59 -0.05 0.00 1.00 0.00 0.00 33.01 31.25 1egr s GLN 32 CO -0.09 0.62 -0.18 1.52 -2.12 0.00 0.00 175.29 175.03 1egr s TYR 33 N -1.00 1.97 0.00 0.91 -0.85 -1.26 -0.79 117.35 116.32 1egr s TYR 33 Ca 0.17 -0.45 -0.08 0.00 -0.52 0.00 0.00 57.07 56.19 1egr s TYR 33 Cb -0.11 -0.93 0.00 0.00 0.38 0.00 0.00 41.96 41.30 1egr s TYR 33 CO 0.08 0.45 0.16 1.14 -1.52 0.00 0.00 175.55 175.86 1egr s GLN 34 N -3.17 0.51 -0.17 -3.49 0.00 0.31 -4.92 119.66 108.73 1egr s GLN 34 Ca 0.22 -0.39 -0.03 0.00 -0.00 0.00 0.00 55.36 55.16 1egr s GLN 34 Cb -0.05 0.22 -0.02 0.00 0.00 0.00 0.00 33.01 33.16 1egr s GLN 34 CO 0.09 -0.13 -0.06 -0.47 0.00 0.00 0.00 175.29 174.73 1egr s TYR 35 N -1.42 2.96 0.08 9.60 6.14 -1.26 -1.04 117.35 132.41 1egr s TYR 35 Ca -0.14 -0.53 0.05 0.00 0.64 0.00 0.00 57.07 57.08 1egr s TYR 35 Cb -0.07 -1.98 -0.03 0.00 0.42 0.00 0.00 41.96 40.30 1egr s TYR 35 CO 0.02 -0.21 -0.13 0.54 0.64 0.00 0.00 175.55 176.40 1egr s VAL 36 N 0.68 1.10 -0.09 3.14 0.11 -0.29 -4.94 120.40 120.10 1egr s VAL 36 Ca -0.03 -1.40 0.02 0.00 -2.93 0.00 0.00 61.98 57.64 1egr s VAL 36 Cb -0.15 -1.15 -0.02 0.00 -1.53 0.00 0.00 36.38 33.53 1egr s VAL 36 CO 0.02 -0.30 -0.13 -0.62 -3.33 0.00 0.00 175.10 170.74 1egr s ASP 37 N -1.92 4.10 0.54 3.54 2.15 -1.26 -2.10 116.67 121.71 1egr s ASP 37 Ca 0.00 -0.24 0.23 0.00 0.43 0.00 0.00 52.55 52.98 1egr s ASP 37 Cb -0.08 -1.23 1.50 0.00 -0.30 0.00 0.00 42.92 42.81 1egr s ASP 37 CO 0.02 0.26 2.16 0.16 -0.17 0.00 0.00 175.17 177.61 1egr h ILE 38 N 4.81 0.75 0.00 4.11 3.07 -1.89 -0.29 117.51 128.07 1egr h ILE 38 Ca -0.37 -0.18 -0.07 0.00 1.55 0.00 0.00 64.86 65.79 1egr h ILE 38 Cb 1.18 1.10 -0.01 0.00 -0.27 0.00 0.00 36.82 38.82 1egr h ILE 38 CO 0.53 0.05 -0.35 -0.09 -1.05 0.00 0.00 178.15 177.24 1egr h ARG 39 N 0.00 0.00 0.17 0.16 1.12 -1.95 0.20 114.38 114.09 1egr h ARG 39 Ca -0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 59.98 58.52 1egr h ARG 39 Cb 0.10 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.07 1egr h ARG 39 CO 0.01 0.35 -1.75 0.00 -3.11 0.00 0.00 179.97 175.46 1egr h ALA 40 N 1.65 0.19 0.09 2.80 0.00 -1.50 -3.37 119.26 119.11 1egr h ALA 40 Ca -0.00 -1.17 -0.28 0.00 0.00 0.00 0.00 54.91 53.46 1egr h ALA 40 Cb 0.99 0.49 0.03 0.00 0.00 0.00 0.00 17.79 19.30 1egr h ALA 40 CO 0.05 1.04 -1.13 1.49 0.00 0.00 0.00 179.25 180.69 1egr h GLU 41 N 0.06 0.61 0.00 0.00 4.81 -1.35 -3.49 114.58 115.23 1egr h GLU 41 Ca -0.35 -0.78 0.00 0.00 -0.13 0.00 0.00 59.36 58.10 1egr h GLU 41 Cb 2.06 0.25 0.00 0.00 0.63 0.00 0.00 28.75 31.69 1egr h GLU 41 CO 0.16 1.34 0.00 0.41 -0.73 0.00 0.00 179.01 180.19 1egr n GLY 42 N 1.31 0.71 3.47 1.92 0.00 0.51 -5.09 105.19 108.03 1egr n GLY 42 Ca -0.13 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.63 3.36 0.48 -0.61 1.01 -0.07 -5.04 121.20 119.70 1egr s ILE 43 Ca 0.00 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.14 1egr s ILE 43 Cb 0.00 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 40.09 1egr s ILE 43 CO 0.00 0.56 0.44 0.42 0.00 0.00 0.00 174.94 176.36 1egr s THR 44 N -0.23 2.28 0.15 2.92 -4.23 -1.26 -4.66 115.64 110.61 1egr s THR 44 Ca 0.02 -1.34 -0.20 0.00 -1.18 0.00 0.00 61.69 58.99 1egr s THR 44 Cb -0.13 -2.62 0.04 0.00 1.34 0.00 0.00 72.50 71.13 1egr s THR 44 CO 0.03 0.00 1.65 0.50 -0.54 0.00 0.00 174.62 176.26 1egr h LYS 45 N 0.83 -0.13 0.54 3.99 3.64 -1.99 0.21 116.57 123.66 1egr h LYS 45 Ca -0.38 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.99 1egr h LYS 45 Cb 1.28 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.11 1egr h LYS 45 CO 0.55 -0.09 -0.48 0.93 -2.27 0.00 0.00 179.45 178.09 1egr h GLU 46 N -0.14 -0.96 -0.89 1.90 3.07 -1.94 -0.72 114.58 114.89 1egr h GLU 46 Ca 0.15 0.07 0.16 0.00 -0.50 0.00 0.00 59.36 59.23 1egr h GLU 46 Cb 0.36 0.22 -0.10 0.00 -0.84 0.00 0.00 28.75 28.39 1egr h GLU 46 CO -0.36 -0.64 0.48 0.22 -1.40 0.00 0.00 179.01 177.32 1egr h ASP 47 N -1.00 0.60 0.77 1.42 3.58 -1.84 -0.15 116.42 119.81 1egr h ASP 47 Ca -0.07 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 1egr h ASP 47 Cb 0.85 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.90 1egr h ASP 47 CO -0.03 0.24 -0.39 0.25 -2.88 0.00 0.00 179.24 176.43 1egr h LEU 48 N 0.66 -0.94 -0.73 2.28 6.46 -0.30 0.51 115.31 123.26 1egr h LEU 48 Ca 0.50 0.04 0.13 0.00 -0.12 0.00 0.00 57.88 58.43 1egr h LEU 48 Cb 0.72 0.25 -0.14 0.00 -0.73 0.00 0.00 40.66 40.76 1egr h LEU 48 CO -0.37 -0.65 -0.28 -0.61 -0.62 0.00 0.00 178.44 175.91 1egr h GLN 49 N -1.06 -0.07 -0.54 1.25 4.15 -0.08 0.37 115.11 119.14 1egr h GLN 49 Ca -0.10 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.36 1egr h GLN 49 Cb 0.82 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.49 1egr h GLN 49 CO 0.16 -0.04 0.29 0.37 -1.93 0.00 0.00 178.83 177.68 1egr h GLN 50 N -0.07 0.55 -0.99 1.69 -0.00 -0.79 0.42 115.11 115.92 1egr h GLN 50 Ca 0.31 -0.03 0.20 0.00 -0.00 0.00 0.00 58.65 59.13 1egr h GLN 50 Cb 0.57 -0.12 -0.11 0.00 0.00 0.00 0.00 27.48 27.81 1egr h GLN 50 CO -0.78 0.37 0.59 -0.22 0.00 0.00 0.00 178.83 178.79 1egr h LYS 51 N 0.57 0.68 0.02 1.69 1.63 0.43 -2.42 116.57 119.16 1egr h LYS 51 Ca 0.23 -0.04 -0.27 0.00 -0.85 0.00 0.00 60.65 59.73 1egr h LYS 51 Cb 0.11 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.55 1egr h LYS 51 CO -0.14 0.45 -1.45 0.00 -3.45 0.00 0.00 179.45 174.86 1egr n ALA 52 N -2.33 0.83 0.00 5.00 0.00 -0.74 -4.90 120.51 118.36 1egr n ALA 52 Ca 0.24 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1egr n ALA 52 Cb 0.61 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1egr n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1egr n GLY 53 N 1.49 2.28 2.63 0.00 0.00 0.14 -4.88 105.19 106.87 1egr n GLY 53 Ca -0.34 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 1egr n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1egr n LYS 54 N 0.00 1.07 -1.45 1.61 5.02 -1.25 -4.47 118.16 118.70 1egr n LYS 54 Ca 0.00 -2.23 -0.34 0.00 -2.02 0.00 0.00 58.31 53.71 1egr n LYS 54 Cb 0.00 -0.87 0.06 0.00 -0.02 0.00 0.00 35.03 34.20 1egr n LYS 54 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1egr n PRO 55 N 0.04 2.61 0.00 1.97 -0.04 -1.26 -5.05 135.00 133.27 1egr n PRO 55 Ca 0.07 -3.15 0.00 0.00 -0.04 0.00 0.00 63.50 60.37 1egr n PRO 55 Cb 0.75 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1egr n PRO 55 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1egr n VAL 56 N -0.63 0.00 -2.00 0.52 0.31 -1.26 -1.30 118.33 113.97 1egr n VAL 56 Ca 0.57 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.68 1egr n VAL 56 Cb 0.54 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.50 1egr n VAL 56 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1egr n GLU 57 N 9.80 3.50 -3.27 5.55 0.28 -1.26 -3.70 120.64 131.53 1egr n GLU 57 Ca 0.00 -4.12 -0.32 0.00 -0.16 0.00 0.00 57.16 52.56 1egr n GLU 57 Cb 0.00 -2.24 -0.06 0.00 1.43 0.00 0.00 31.44 30.57 1egr n GLU 57 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1egr s THR 58 N -4.52 4.79 0.18 3.84 -4.23 -0.42 -5.05 115.64 110.23 1egr s THR 58 Ca 0.50 0.74 -0.12 0.00 -1.18 0.00 0.00 61.69 61.63 1egr s THR 58 Cb 0.41 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1egr s THR 58 CO 0.03 -0.12 0.37 0.68 -0.54 0.00 0.00 174.62 175.04 1egr s VAL 59 N -1.90 0.05 0.87 2.29 -7.23 -1.26 -4.68 120.40 108.54 1egr s VAL 59 Ca 0.51 -1.23 -0.13 0.00 -1.81 0.00 0.00 61.98 59.32 1egr s VAL 59 Cb -0.11 -1.81 0.12 0.00 0.56 0.00 0.00 36.38 35.15 1egr s VAL 59 CO 0.19 -0.22 1.20 -2.16 -0.31 0.00 0.00 175.10 173.80 1egr s PRO 60 N -3.95 1.44 0.08 4.82 0.05 -1.26 -5.12 135.00 131.05 1egr s PRO 60 Ca 0.16 0.02 0.01 0.00 0.05 0.00 0.00 61.00 61.24 1egr s PRO 60 Cb 0.02 -1.90 -0.04 0.00 0.05 0.00 0.00 34.50 32.63 1egr s PRO 60 CO 0.00 -1.94 -0.06 -0.65 0.05 0.00 0.00 177.00 174.40 1egr s GLN 61 N -5.59 0.72 -0.05 4.56 -0.21 -0.99 -4.62 119.66 113.49 1egr s GLN 61 Ca 0.65 -1.18 0.03 0.00 0.02 0.00 0.00 55.36 54.88 1egr s GLN 61 Cb -0.10 -0.15 -0.03 0.00 1.00 0.00 0.00 33.01 33.74 1egr s GLN 61 CO 0.51 -0.02 -0.14 0.42 -2.12 0.00 0.00 175.29 173.94 1egr s ILE 62 N -3.17 3.07 0.06 1.08 -1.09 0.23 -1.82 121.20 119.56 1egr s ILE 62 Ca 0.06 -0.72 0.08 0.00 -2.23 0.00 0.00 60.65 57.85 1egr s ILE 62 Cb 0.02 -2.20 -0.03 0.00 -1.58 0.00 0.00 42.46 38.67 1egr s ILE 62 CO -0.04 0.59 -0.23 -0.36 -1.23 0.00 0.00 174.94 173.66 1egr s PHE 63 N -0.71 2.04 -0.39 3.97 0.40 -0.06 -1.48 117.98 121.75 1egr s PHE 63 Ca 0.11 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 1egr s PHE 63 Cb -0.11 -1.20 0.11 0.00 0.51 0.00 0.00 43.02 42.34 1egr s PHE 63 CO 0.01 0.14 0.14 0.08 0.70 0.00 0.00 175.22 176.29 1egr s VAL 64 N -0.86 1.86 0.00 -0.44 1.01 0.30 -0.66 120.40 121.61 1egr s VAL 64 Ca 0.09 -2.39 0.00 0.00 0.00 0.00 0.00 61.98 59.68 1egr s VAL 64 Cb -0.09 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1egr s VAL 64 CO 0.03 -0.72 0.00 -0.67 0.00 0.00 0.00 175.10 173.74 1egr n ASP 65 N 3.99 0.00 0.00 3.32 -0.08 0.16 -0.99 116.55 122.94 1egr n ASP 65 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1egr n ASP 65 Cb 0.38 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.84 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 1.50 -3.74 -0.67 6.02 -1.26 -4.87 117.38 114.36 1egr n GLN 66 Ca 0.00 -0.04 -0.21 0.00 -0.01 0.00 0.00 57.00 56.74 1egr n GLN 66 Cb 0.00 -0.29 -0.03 0.00 1.02 0.00 0.00 30.24 30.94 1egr n GLN 66 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1egr s GLN 67 N -0.23 2.81 -0.03 -1.09 -2.07 -0.17 -5.12 119.66 113.78 1egr s GLN 67 Ca 0.00 -1.23 -0.00 0.00 -1.82 0.00 0.00 55.36 52.31 1egr s GLN 67 Cb 0.00 -2.55 -0.04 0.00 -1.09 0.00 0.00 33.01 29.33 1egr s GLN 67 CO 0.00 0.09 0.04 -1.58 -1.32 0.00 0.00 175.29 172.52 1egr s HIS 68 N -2.28 3.20 -0.17 9.60 5.65 -1.26 -0.54 115.29 129.49 1egr s HIS 68 Ca 0.42 0.17 0.04 0.00 0.25 0.00 0.00 55.06 55.94 1egr s HIS 68 Cb -0.07 -1.73 -0.13 0.00 -1.18 0.00 0.00 32.58 29.47 1egr s HIS 68 CO 0.28 0.51 -0.11 -0.89 -0.65 0.00 0.00 174.74 173.87 1egr n ILE 69 N 1.49 1.03 0.00 0.89 2.08 -0.55 -4.89 119.36 119.41 1egr n ILE 69 Ca -0.15 -0.45 0.00 0.00 0.56 0.00 0.00 62.75 62.71 1egr n ILE 69 Cb 0.53 -1.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.40 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 2.51 0.22 0.00 7.39 0.00 -1.23 -4.60 105.19 109.48 1egr n GLY 70 Ca -0.30 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1egr n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1egr n GLY 71 N 0.00 2.94 0.07 -0.02 0.00 -1.26 -0.60 105.19 106.32 1egr n GLY 71 Ca 0.00 -2.08 -0.11 0.00 0.00 0.00 0.00 46.02 43.82 1egr n GLY 71 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1egr h TYR 72 N 0.10 0.10 -0.60 1.61 3.20 -1.96 0.90 116.97 120.31 1egr h TYR 72 Ca 0.00 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.98 1egr h TYR 72 Cb 0.00 -0.03 -0.12 0.00 1.54 0.00 0.00 36.73 38.12 1egr h TYR 72 CO 0.00 0.13 -0.26 1.79 -1.64 0.00 0.00 178.16 178.18 1egr h THR 73 N 0.05 0.24 0.35 1.81 1.35 -2.00 0.22 112.91 114.94 1egr h THR 73 Ca 0.03 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.87 1egr h THR 73 Cb 0.06 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 66.73 1egr h THR 73 CO -0.00 0.00 -0.17 0.44 -0.25 0.00 0.00 175.52 175.54 1egr h ASP 74 N -0.10 -0.40 -0.64 5.36 5.19 -1.81 -2.06 116.42 121.95 1egr h ASP 74 Ca 0.26 -0.03 0.14 0.00 -0.62 0.00 0.00 57.03 56.78 1egr h ASP 74 Cb 0.52 0.10 -0.11 0.00 0.18 0.00 0.00 39.33 40.03 1egr h ASP 74 CO -0.67 -0.23 -0.03 0.15 -3.12 0.00 0.00 179.24 175.34 1egr h PHE 75 N -0.53 -0.10 -0.05 4.55 3.57 0.46 0.56 116.94 125.40 1egr h PHE 75 Ca -0.05 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1egr h PHE 75 Cb 0.40 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1egr h PHE 75 CO -0.04 -0.20 -0.11 0.00 -2.23 0.00 0.00 178.31 175.74 1egr h ALA 76 N 1.60 -0.07 0.70 2.41 0.00 -0.32 0.29 119.26 123.87 1egr h ALA 76 Ca 0.33 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1egr h ALA 76 Cb 0.55 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1egr h ALA 76 CO -0.58 -0.58 -0.36 0.00 0.00 0.00 0.00 179.25 177.73 1egr h ALA 77 N 0.86 -1.25 -0.85 0.00 0.00 -0.37 0.10 119.26 117.76 1egr h ALA 77 Ca 0.06 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.91 1egr h ALA 77 Cb 0.23 0.42 -0.16 0.00 0.00 0.00 0.00 17.79 18.28 1egr h ALA 77 CO -0.14 -1.18 -0.27 2.35 0.00 0.00 0.00 179.25 180.01 1egr h TRP 78 N -0.97 -0.65 0.34 0.00 7.01 0.20 0.40 115.95 122.28 1egr h TRP 78 Ca -0.10 0.08 -0.00 0.00 2.11 0.00 0.00 58.89 60.98 1egr h TRP 78 Cb 0.76 0.42 -0.03 0.00 -2.10 0.00 0.00 29.16 28.20 1egr h TRP 78 CO 0.03 -0.38 -0.50 0.28 -2.79 0.00 0.00 178.44 175.08 1egr h VAL 79 N -0.03 0.04 0.00 2.65 2.07 -0.26 0.35 116.25 121.08 1egr h VAL 79 Ca 0.37 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.89 1egr h VAL 79 Cb 0.61 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1egr h VAL 79 CO -0.88 0.00 0.24 0.50 0.02 0.00 0.00 177.57 177.45 1egr h LYS 80 N -0.88 0.00 0.00 1.57 1.63 0.24 0.29 116.57 119.42 1egr h LYS 80 Ca -0.03 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.50 1egr h LYS 80 Cb 0.81 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.40 1egr h LYS 80 CO -0.15 0.00 -1.94 0.39 -3.45 0.00 0.00 179.45 174.29 1egr n GLU 81 N -2.41 0.39 0.11 1.90 1.02 -0.35 -3.26 120.64 118.05 1egr n GLU 81 Ca -0.01 0.13 0.02 0.00 -0.02 0.00 0.00 57.16 57.27 1egr n GLU 81 Cb 0.27 -1.23 -0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1egr n GLU 81 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1egr h ASN 82 N -0.29 0.00 0.00 1.62 2.35 -0.17 -3.37 115.58 115.72 1egr h ASN 82 Ca -0.40 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.13 1egr h ASN 82 Cb 1.48 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.81 1egr h ASN 82 CO -0.15 0.52 -1.81 0.18 -1.65 0.00 0.00 177.43 174.51 1egr n LEU 83 N -3.13 2.73 -3.05 1.61 7.99 0.70 -5.05 117.00 118.80 1egr n LEU 83 Ca -0.01 -0.04 -0.17 0.00 -0.01 0.00 0.00 56.01 55.78 1egr n LEU 83 Cb 0.76 -0.49 0.02 0.00 -0.11 0.00 0.00 43.42 43.60 1egr n LEU 83 CO 0.41 0.68 -0.08 -0.67 -1.51 0.00 0.00 177.39 176.22 1egr n ASP 84 N -3.02 -7.22 0.00 -1.43 2.03 0.60 -4.98 116.55 102.53 1egr n ASP 84 Ca -0.26 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1egr n ASP 84 Cb 0.76 -4.22 0.00 0.00 -0.72 0.00 0.00 41.12 36.94 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28