#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 2.91 -0.12 2.12 -1.52 -1.26 -0.74 119.66 121.05 1egr s GLN 2 Ca 0.00 -0.89 0.01 0.00 -1.95 0.00 0.00 55.36 52.53 1egr s GLN 2 Cb 0.00 -2.63 -0.02 0.00 -0.22 0.00 0.00 33.01 30.14 1egr s GLN 2 CO 0.00 -0.26 -0.14 0.99 -0.25 0.00 0.00 175.29 175.64 1egr s THR 3 N 1.28 3.02 0.05 -0.19 2.01 0.40 -1.27 115.64 120.93 1egr s THR 3 Ca 0.03 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.40 1egr s THR 3 Cb -0.14 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 1egr s THR 3 CO -0.12 0.54 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.52 1egr s VAL 4 N 0.18 1.13 -0.15 3.82 1.01 -0.78 -0.21 120.40 125.40 1egr s VAL 4 Ca -0.08 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 1egr s VAL 4 Cb -0.15 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 1egr s VAL 4 CO 0.05 -0.04 -0.08 -0.63 0.00 0.00 0.00 175.10 174.40 1egr s ILE 5 N -0.95 3.51 -0.19 2.22 1.09 -0.61 -1.57 121.20 124.71 1egr s ILE 5 Ca 0.01 -0.49 0.00 0.00 -1.10 0.00 0.00 60.65 59.07 1egr s ILE 5 Cb -0.08 -2.52 0.02 0.00 -1.06 0.00 0.00 42.46 38.82 1egr s ILE 5 CO 0.02 0.50 -0.17 -0.36 -0.10 0.00 0.00 174.94 174.83 1egr s PHE 6 N 0.40 2.81 -5.00 3.97 0.40 0.97 -1.08 117.98 120.45 1egr s PHE 6 Ca -0.07 -1.53 0.00 0.00 -0.60 0.00 0.00 56.93 54.73 1egr s PHE 6 Cb -0.15 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.43 1egr s PHE 6 CO 0.04 -0.77 0.00 0.41 0.70 0.00 0.00 175.22 175.60 1egr n GLY 7 N 4.65 0.78 3.31 4.36 0.00 -0.94 -0.03 105.19 117.32 1egr n GLY 7 Ca -0.20 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.00 2.68 0.00 1.61 1.70 -1.26 -4.44 118.95 117.25 1egr s ARG 8 Ca 0.00 -1.29 0.00 0.00 -0.47 0.00 0.00 55.73 53.97 1egr s ARG 8 Cb 0.00 -3.72 0.00 0.00 -0.57 0.00 0.00 34.95 30.66 1egr s ARG 8 CO 0.00 -0.83 0.00 0.45 -1.08 0.00 0.00 175.30 173.84 1egr n SER 9 N 4.93 0.00 0.00 -2.89 2.88 -1.26 -4.25 113.62 113.03 1egr n SER 9 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1egr n SER 9 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 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 4.53 1.10 3.05 0.46 0.00 -1.26 -5.04 105.19 108.03 1egr n GLY 10 Ca 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 1.38 0.79 0.05 0.00 -0.04 -1.26 -1.70 135.00 134.22 1egr n PRO 12 Ca -0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1egr n PRO 12 Cb 0.56 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 1egr n PRO 12 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1egr n TYR 13 N 0.78 -0.42 0.09 0.54 9.36 -1.26 -4.61 117.16 121.63 1egr n TYR 13 Ca 0.00 0.07 -0.04 0.00 3.32 0.00 0.00 57.90 61.25 1egr n TYR 13 Cb 0.40 0.14 -0.04 0.00 -0.63 0.00 0.00 39.34 39.21 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 0.00 1.12 -0.19 0.00 2.07 -1.65 0.07 116.25 117.66 1egr h VAL 15 Ca -0.01 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.23 1egr h VAL 15 Cb 1.59 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1egr h VAL 15 CO 0.11 0.11 0.16 0.03 0.02 0.00 0.00 177.57 178.00 1egr h ARG 16 N 0.14 0.00 -0.06 1.57 2.47 -1.73 0.23 114.38 117.00 1egr h ARG 16 Ca 0.06 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1egr h ARG 16 Cb 0.11 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1egr h ARG 16 CO -0.01 0.00 -0.06 0.00 0.56 0.00 0.00 179.97 180.46 1egr h ALA 17 N 1.87 0.09 -0.72 0.04 0.00 -1.03 0.20 119.26 119.71 1egr h ALA 17 Ca 0.09 -0.28 0.15 0.00 0.00 0.00 0.00 54.91 54.87 1egr h ALA 17 Cb 0.41 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 1egr h ALA 17 CO -0.00 -0.11 0.20 -0.22 0.00 0.00 0.00 179.25 179.12 1egr h LYS 18 N -0.30 0.30 0.62 0.00 3.11 0.12 0.36 116.57 120.79 1egr h LYS 18 Ca 0.01 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.80 1egr h LYS 18 Cb 0.57 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.73 1egr h LYS 18 CO 0.02 0.20 -0.36 -0.44 -2.81 0.00 0.00 179.45 176.05 1egr h ASP 19 N 0.31 -0.90 -0.72 4.20 3.32 -0.40 0.48 116.42 122.71 1egr h ASP 19 Ca 0.40 0.05 0.16 0.00 0.02 0.00 0.00 57.03 57.65 1egr h ASP 19 Cb 0.65 0.25 -0.13 0.00 0.22 0.00 0.00 39.33 40.32 1egr h ASP 19 CO -0.47 -0.57 -0.07 0.25 -1.72 0.00 0.00 179.24 176.67 1egr h LEU 20 N -0.91 -0.46 -0.22 1.55 5.85 0.15 0.77 115.31 122.04 1egr h LEU 20 Ca -0.08 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1egr h LEU 20 Cb 0.72 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1egr h LEU 20 CO 0.10 -0.20 0.13 0.00 -0.34 0.00 0.00 178.44 178.13 1egr h ALA 21 N 1.69 0.28 -0.88 1.25 0.00 -0.10 0.84 119.26 122.34 1egr h ALA 21 Ca 0.37 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1egr h ALA 21 Cb 0.63 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1egr h ALA 21 CO -0.67 -0.21 0.58 1.49 0.00 0.00 0.00 179.25 180.44 1egr h GLU 22 N 0.26 1.13 0.43 0.00 4.81 0.23 0.33 114.58 121.78 1egr h GLU 22 Ca 0.08 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1egr h GLU 22 Cb 0.03 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.16 1egr h GLU 22 CO -0.01 0.75 -0.24 -0.22 -0.73 0.00 0.00 179.01 178.56 1egr h LYS 23 N 1.17 -0.60 -0.87 1.92 3.64 0.14 0.35 116.57 122.31 1egr h LYS 23 Ca 0.33 0.04 0.23 0.00 -1.27 0.00 0.00 60.65 59.98 1egr h LYS 23 Cb -0.09 0.14 -0.14 0.00 -0.41 0.00 0.00 32.23 31.72 1egr h LYS 23 CO -0.08 -0.40 0.22 -0.07 -2.27 0.00 0.00 179.45 176.85 1egr h LEU 24 N -0.62 -0.02 -0.76 5.20 3.38 -0.52 1.47 115.31 123.44 1egr h LEU 24 Ca -0.06 0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.21 1egr h LEU 24 Cb 0.49 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 1egr h LEU 24 CO 0.08 -0.15 0.39 -1.28 0.09 0.00 0.00 178.44 177.57 1egr h SER 25 N 0.20 0.52 0.19 -0.43 0.87 0.29 0.26 113.55 115.45 1egr h SER 25 Ca 0.54 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.16 1egr h SER 25 Cb 1.08 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1egr h SER 25 CO -0.65 0.29 0.00 -3.20 -0.53 0.00 0.00 176.83 172.73 1egr n ASN 26 N -4.84 0.00 -0.10 6.23 5.15 0.49 -3.87 115.26 118.32 1egr n ASN 26 Ca 0.12 -0.62 -0.21 0.00 -0.60 0.00 0.00 54.58 53.27 1egr n ASN 26 Cb 0.30 -0.10 -0.11 0.00 -0.53 0.00 0.00 39.78 39.33 1egr n ASN 26 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1egr h GLU 27 N 0.00 0.00 -4.39 1.20 4.39 0.15 -3.49 114.58 112.43 1egr h GLU 27 Ca 0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 1egr h GLU 27 Cb 0.10 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.57 1egr h GLU 27 CO 0.00 0.97 -0.70 -0.98 -1.16 0.00 0.00 179.01 177.13 1egr s ARG 28 N -2.36 0.61 0.00 2.33 3.03 -0.96 -5.02 118.95 116.58 1egr s ARG 28 Ca -0.28 -1.04 0.00 0.00 2.03 0.00 0.00 55.73 56.44 1egr s ARG 28 Cb 0.06 -0.05 0.00 0.00 -1.03 0.00 0.00 34.95 33.93 1egr s ARG 28 CO 0.58 -0.03 0.77 -0.25 -1.13 0.00 0.00 175.30 175.24 1egr n ASP 29 N 0.64 2.28 0.00 -2.89 9.92 -1.26 -2.06 116.55 123.18 1egr n ASP 29 Ca -0.17 -1.47 0.00 0.00 -0.53 0.00 0.00 54.79 52.62 1egr n ASP 29 Cb 0.58 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 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 0.75 3.62 -4.59 -2.24 -0.08 -1.26 -4.98 116.55 107.78 1egr n ASP 30 Ca 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 1egr n ASP 30 Cb 0.35 0.54 -0.11 0.00 2.34 0.00 0.00 41.12 44.25 1egr n ASP 30 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1egr s PHE 31 N -1.58 3.22 0.12 -0.67 2.19 -0.87 0.29 117.98 120.67 1egr s PHE 31 Ca 0.00 0.04 0.03 0.00 0.33 0.00 0.00 56.93 57.33 1egr s PHE 31 Cb 0.00 -2.29 -0.04 0.00 -1.31 0.00 0.00 43.02 39.38 1egr s PHE 31 CO 0.00 -0.10 -0.09 -1.14 1.83 0.00 0.00 175.22 175.72 1egr s GLN 32 N 1.38 0.94 0.17 10.12 2.00 0.08 -4.03 119.66 130.31 1egr s GLN 32 Ca 0.07 -1.37 -0.03 0.00 -2.00 0.00 0.00 55.36 52.03 1egr s GLN 32 Cb -0.15 -0.42 -0.03 0.00 0.80 0.00 0.00 33.01 33.20 1egr s GLN 32 CO 0.07 0.03 0.14 1.52 -0.50 0.00 0.00 175.29 176.55 1egr s TYR 33 N -3.37 0.88 0.01 1.67 1.13 -1.26 -0.45 117.35 115.96 1egr s TYR 33 Ca 0.13 -1.19 -0.18 0.00 -1.41 0.00 0.00 57.07 54.42 1egr s TYR 33 Cb 0.03 -0.41 0.03 0.00 -1.10 0.00 0.00 41.96 40.52 1egr s TYR 33 CO -0.02 -0.62 0.40 -1.14 -2.51 0.00 0.00 175.55 171.65 1egr s GLN 34 N -4.08 0.83 -0.16 -3.49 0.74 0.71 -4.88 119.66 109.34 1egr s GLN 34 Ca 0.29 -0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.47 1egr s GLN 34 Cb 0.06 0.37 0.00 0.00 1.10 0.00 0.00 33.01 34.54 1egr s GLN 34 CO 0.06 -0.26 -0.15 -0.47 -0.55 0.00 0.00 175.29 173.92 1egr s TYR 35 N -1.86 2.79 0.11 1.67 5.04 -1.26 -1.58 117.35 122.26 1egr s TYR 35 Ca -0.09 -1.11 0.07 0.00 -2.44 0.00 0.00 57.07 53.50 1egr s TYR 35 Cb -0.02 -1.90 -0.04 0.00 0.35 0.00 0.00 41.96 40.35 1egr s TYR 35 CO 0.02 -0.52 -0.18 0.08 -1.34 0.00 0.00 175.55 173.61 1egr s VAL 36 N 0.91 1.56 -0.07 3.14 1.01 -0.24 -4.96 120.40 121.75 1egr s VAL 36 Ca -0.04 -1.62 -0.04 0.00 0.00 0.00 0.00 61.98 60.29 1egr s VAL 36 Cb -0.15 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1egr s VAL 36 CO -0.02 -0.21 0.10 -0.62 0.00 0.00 0.00 175.10 174.35 1egr s ASP 37 N -2.15 5.92 0.33 3.32 2.15 -1.26 -2.21 116.67 122.78 1egr s ASP 37 Ca 0.07 0.29 0.06 0.00 0.43 0.00 0.00 52.55 53.41 1egr s ASP 37 Cb -0.08 -1.80 0.58 0.00 -0.30 0.00 0.00 42.92 41.31 1egr s ASP 37 CO 0.04 0.35 1.80 0.16 -0.17 0.00 0.00 175.17 177.35 1egr h ILE 38 N 3.70 1.24 0.00 4.11 3.07 -1.88 -2.43 117.51 125.32 1egr h ILE 38 Ca -0.52 -1.13 0.00 0.00 1.55 0.00 0.00 64.86 64.76 1egr h ILE 38 Cb 1.20 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 39.12 1egr h ILE 38 CO 0.59 0.35 -0.53 -1.14 -1.05 0.00 0.00 178.15 176.37 1egr n ARG 39 N -4.16 0.04 0.04 0.16 0.00 -1.26 -0.50 116.66 110.98 1egr n ARG 39 Ca -0.01 0.01 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 1egr n ARG 39 Cb 0.36 -1.52 -0.14 0.00 0.00 0.00 0.00 32.46 31.16 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 2.93 0.13 0.12 5.13 0.00 -1.87 -3.38 119.26 122.32 1egr h ALA 40 Ca 0.00 -1.06 -0.27 0.00 0.00 0.00 0.00 54.91 53.57 1egr h ALA 40 Cb 0.54 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1egr h ALA 40 CO 0.00 0.85 -1.38 0.93 0.00 0.00 0.00 179.25 179.66 1egr h GLU 41 N -0.14 0.26 0.00 0.00 5.08 -1.56 -3.49 114.58 114.73 1egr h GLU 41 Ca -0.30 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.61 1egr h GLU 41 Cb 1.89 0.17 0.00 0.00 0.50 0.00 0.00 28.75 31.31 1egr h GLU 41 CO 0.12 1.21 0.00 0.41 -1.00 0.00 0.00 179.01 179.75 1egr n GLY 42 N 1.74 0.85 3.63 -3.84 0.00 -0.45 -5.11 105.19 102.01 1egr n GLY 42 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.49 4.36 0.44 -0.61 1.01 0.34 -5.03 121.20 121.21 1egr s ILE 43 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.51 1egr s ILE 43 Cb 0.00 -2.89 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 1egr s ILE 43 CO 0.00 0.54 0.37 0.42 0.00 0.00 0.00 174.94 176.27 1egr s THR 44 N -0.29 2.44 0.06 2.92 -4.23 -1.26 -4.63 115.64 110.65 1egr s THR 44 Ca 0.07 -1.40 0.31 0.00 -1.18 0.00 0.00 61.69 59.48 1egr s THR 44 Cb -0.12 -2.85 0.32 0.00 1.34 0.00 0.00 72.50 71.19 1egr s THR 44 CO 0.02 0.00 1.94 0.50 -0.54 0.00 0.00 174.62 176.54 1egr h LYS 45 N 1.02 0.00 0.00 3.99 3.64 -1.99 0.23 116.57 123.45 1egr h LYS 45 Ca -0.41 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.63 1egr h LYS 45 Cb 1.27 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.04 1egr h LYS 45 CO 0.59 0.00 -1.86 0.39 -2.27 0.00 0.00 179.45 176.29 1egr n GLU 46 N -2.65 0.58 -0.01 1.90 4.71 -1.26 -3.35 120.64 120.56 1egr n GLU 46 Ca -0.01 0.43 -0.09 0.00 -0.01 0.00 0.00 57.16 57.48 1egr n GLU 46 Cb 0.13 -1.63 -0.03 0.00 -1.01 0.00 0.00 31.44 28.90 1egr n GLU 46 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1egr h ASP 47 N -1.00 -0.30 -0.33 1.62 3.58 -1.84 -0.09 116.42 118.05 1egr h ASP 47 Ca -0.52 0.07 0.06 0.00 0.42 0.00 0.00 57.03 57.06 1egr h ASP 47 Cb 1.45 0.16 -0.06 0.00 1.72 0.00 0.00 39.33 42.60 1egr h ASP 47 CO -0.31 -0.13 -0.04 -0.07 -2.88 0.00 0.00 179.24 175.81 1egr h LEU 48 N -0.10 -0.22 -0.57 2.28 3.38 -0.76 0.46 115.31 119.79 1egr h LEU 48 Ca 0.09 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.25 1egr h LEU 48 Cb 0.22 0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.03 1egr h LEU 48 CO -0.20 -0.07 -0.24 -0.61 0.09 0.00 0.00 178.44 177.41 1egr h GLN 49 N 0.05 -0.10 -0.12 1.13 4.15 -1.26 -0.72 115.11 118.25 1egr h GLN 49 Ca 0.16 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 1egr h GLN 49 Cb 0.23 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1egr h GLN 49 CO -0.30 -0.06 0.06 1.96 -1.93 0.00 0.00 178.83 178.55 1egr h GLN 50 N -0.10 0.17 -0.75 1.69 7.50 0.67 1.10 115.11 125.40 1egr h GLN 50 Ca 0.26 -0.03 0.13 0.00 0.50 0.00 0.00 58.65 59.51 1egr h GLN 50 Cb 0.51 -0.03 -0.09 0.00 0.05 0.00 0.00 27.48 27.91 1egr h GLN 50 CO -0.64 0.23 0.31 0.87 -1.50 0.00 0.00 178.83 178.11 1egr h LYS 51 N 0.07 0.46 0.00 1.46 1.57 0.84 -3.13 116.57 117.84 1egr h LYS 51 Ca 0.04 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1egr h LYS 51 Cb 0.12 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1egr h LYS 51 CO -0.01 0.31 -0.63 0.00 -0.57 0.00 0.00 179.45 178.55 1egr h ALA 52 N 1.52 0.07 0.00 3.86 0.00 -1.10 -3.45 119.26 120.16 1egr h ALA 52 Ca 0.40 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1egr h ALA 52 Cb 0.57 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1egr h ALA 52 CO -0.37 0.49 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1egr n GLY 53 N 1.59 2.09 2.46 0.00 0.00 0.38 -4.83 105.19 106.87 1egr n GLY 53 Ca -0.13 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 1.05 -3.09 1.61 4.76 -1.25 -4.53 118.16 116.72 1egr n LYS 54 Ca 0.00 -3.05 -0.26 0.00 -2.87 0.00 0.00 58.31 52.13 1egr n LYS 54 Cb 0.00 -1.33 -0.01 0.00 -1.84 0.00 0.00 35.03 31.85 1egr n LYS 54 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1egr s PRO 55 N -2.16 3.54 0.10 1.97 0.05 -1.26 -5.08 135.00 132.16 1egr s PRO 55 Ca 0.32 -0.07 0.00 0.00 0.05 0.00 0.00 61.00 61.30 1egr s PRO 55 Cb 0.39 -2.55 0.00 0.00 0.05 0.00 0.00 34.50 32.39 1egr s PRO 55 CO -0.04 0.02 0.00 1.33 0.05 0.00 0.00 177.00 178.37 1egr n VAL 56 N -1.82 0.94 -2.11 -0.36 0.24 -1.26 -4.33 118.33 109.63 1egr n VAL 56 Ca -0.02 0.31 -0.01 0.00 -2.04 0.00 0.00 64.34 62.58 1egr n VAL 56 Cb 0.55 -1.39 0.10 0.00 -1.47 0.00 0.00 33.84 31.64 1egr n VAL 56 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1egr n GLU 57 N -3.35 1.48 -2.33 7.34 4.71 -1.26 -4.75 120.64 122.48 1egr n GLU 57 Ca 0.00 -3.09 -0.42 0.00 -0.01 0.00 0.00 57.16 53.64 1egr n GLU 57 Cb 0.00 -1.25 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 1egr n GLU 57 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1egr n THR 58 N -0.49 4.40 -4.88 2.62 -2.24 -1.26 -4.94 114.28 107.49 1egr n THR 58 Ca 0.18 -4.42 -0.33 0.00 -2.27 0.00 0.00 64.05 57.21 1egr n THR 58 Cb 0.89 -2.34 -0.13 0.00 -2.10 0.00 0.00 70.33 66.65 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 0.24 3.03 0.62 2.28 -7.23 -1.26 -3.09 120.40 114.99 1egr s VAL 59 Ca 0.40 -0.77 -0.15 0.00 -1.81 0.00 0.00 61.98 59.65 1egr s VAL 59 Cb 0.10 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 1egr s VAL 59 CO 0.00 0.57 1.08 -2.84 -0.31 0.00 0.00 175.10 173.60 1egr s PRO 60 N -0.79 3.09 0.34 4.82 0.02 -1.26 -4.68 135.00 136.54 1egr s PRO 60 Ca 0.12 1.26 0.08 0.00 0.02 0.00 0.00 61.00 62.49 1egr s PRO 60 Cb -0.11 -2.00 -0.07 0.00 0.02 0.00 0.00 34.50 32.35 1egr s PRO 60 CO 0.01 -1.00 -0.07 -1.14 -0.33 0.00 0.00 177.00 174.47 1egr s GLN 61 N -4.13 1.78 0.06 5.54 2.00 0.95 -4.76 119.66 121.10 1egr s GLN 61 Ca 0.65 -1.93 0.09 0.00 -2.00 0.00 0.00 55.36 52.16 1egr s GLN 61 Cb -0.18 -1.55 -0.03 0.00 0.80 0.00 0.00 33.01 32.05 1egr s GLN 61 CO 0.40 0.08 -0.25 0.42 -0.50 0.00 0.00 175.29 175.44 1egr s ILE 62 N -2.73 2.02 0.12 -2.34 1.01 0.12 -0.02 121.20 119.38 1egr s ILE 62 Ca 0.32 -1.41 0.07 0.00 0.00 0.00 0.00 60.65 59.63 1egr s ILE 62 Cb 0.04 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 1egr s ILE 62 CO 0.16 0.26 -0.17 -0.36 0.00 0.00 0.00 174.94 174.83 1egr s PHE 63 N -0.86 1.59 -0.10 3.97 0.40 -0.61 -1.60 117.98 120.77 1egr s PHE 63 Ca 0.11 -0.48 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 1egr s PHE 63 Cb -0.10 -0.84 0.01 0.00 0.51 0.00 0.00 43.02 42.60 1egr s PHE 63 CO 0.03 0.19 -0.15 0.08 0.70 0.00 0.00 175.22 176.07 1egr s VAL 64 N -1.68 1.48 0.00 -0.44 1.01 0.13 -1.87 120.40 119.03 1egr s VAL 64 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1egr s VAL 64 Cb -0.07 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1egr s VAL 64 CO 0.04 0.44 0.00 0.47 0.00 0.00 0.00 175.10 176.05 1egr n ASP 65 N 4.12 0.00 -0.03 3.32 9.92 -0.40 0.10 116.55 133.59 1egr n ASP 65 Ca -0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1egr n ASP 65 Cb 0.51 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 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 0.07 -4.63 -1.24 1.13 -1.26 -5.04 117.38 106.40 1egr n GLN 66 Ca 0.00 -0.55 -0.33 0.00 -1.94 0.00 0.00 57.00 54.18 1egr n GLN 66 Cb 0.00 -0.51 -0.06 0.00 0.11 0.00 0.00 30.24 29.78 1egr n GLN 66 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1egr s GLN 67 N -0.02 2.24 0.02 -1.09 -1.52 0.12 -5.10 119.66 114.30 1egr s GLN 67 Ca 0.00 -2.39 0.07 0.00 -1.95 0.00 0.00 55.36 51.10 1egr s GLN 67 Cb 0.00 -1.61 -0.03 0.00 -0.22 0.00 0.00 33.01 31.15 1egr s GLN 67 CO 0.00 -0.47 -0.21 -1.58 -0.25 0.00 0.00 175.29 172.78 1egr s HIS 68 N -2.89 2.48 -0.06 0.91 5.65 -1.26 0.18 115.29 120.31 1egr s HIS 68 Ca 0.06 -0.31 0.01 0.00 0.25 0.00 0.00 55.06 55.07 1egr s HIS 68 Cb -0.00 -1.47 -0.04 0.00 -1.18 0.00 0.00 32.58 29.89 1egr s HIS 68 CO 0.04 0.17 -0.05 -0.89 -0.65 0.00 0.00 174.74 173.37 1egr n ILE 69 N 1.81 0.32 0.00 0.89 2.08 -0.63 -4.89 119.36 118.95 1egr n ILE 69 Ca -0.16 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.02 1egr n ILE 69 Cb 0.52 -0.71 0.00 0.00 -0.75 0.00 0.00 39.64 38.70 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 3.19 -0.01 0.26 7.39 0.00 -1.23 -4.59 105.19 110.21 1egr n GLY 70 Ca -0.10 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.24 1.80 -0.02 0.00 -1.26 0.13 105.19 105.60 1egr n GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1egr n GLY 71 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1egr n TYR 72 N -2.17 -0.13 -0.16 1.61 9.36 -1.26 -4.44 117.16 119.96 1egr n TYR 72 Ca 0.00 0.02 -0.02 0.00 3.32 0.00 0.00 57.90 61.22 1egr n TYR 72 Cb 0.00 0.41 0.05 0.00 -0.63 0.00 0.00 39.34 39.17 1egr n TYR 72 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1egr h THR 73 N 0.00 0.57 0.66 2.97 1.35 -1.96 0.15 112.91 116.65 1egr h THR 73 Ca 0.00 -0.03 -0.03 0.00 -0.55 0.00 0.00 66.41 65.80 1egr h THR 73 Cb 0.19 0.49 0.01 0.00 -1.73 0.00 0.00 68.15 67.10 1egr h THR 73 CO 0.00 0.01 -0.32 0.44 -0.25 0.00 0.00 175.52 175.41 1egr h ASP 74 N 0.08 -0.75 -0.56 5.36 3.32 -1.88 -0.58 116.42 121.40 1egr h ASP 74 Ca 0.25 -0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.40 1egr h ASP 74 Cb 0.38 0.19 -0.11 0.00 0.22 0.00 0.00 39.33 40.01 1egr h ASP 74 CO -0.45 -0.46 -0.25 0.15 -1.72 0.00 0.00 179.24 176.50 1egr h PHE 75 N -0.99 -0.65 0.08 4.55 3.57 -1.66 0.24 116.94 122.07 1egr h PHE 75 Ca -0.09 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1egr h PHE 75 Cb 0.71 0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 1egr h PHE 75 CO -0.01 -0.33 -0.18 0.00 -2.23 0.00 0.00 178.31 175.56 1egr h ALA 76 N 1.23 -0.28 -0.34 2.41 0.00 -0.54 0.15 119.26 121.89 1egr h ALA 76 Ca 0.25 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1egr h ALA 76 Cb 0.51 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 1egr h ALA 76 CO -0.64 -0.69 -0.27 0.00 0.00 0.00 0.00 179.25 177.65 1egr h ALA 77 N 0.53 -0.11 -0.21 0.00 0.00 0.28 -1.24 119.26 118.50 1egr h ALA 77 Ca 0.03 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1egr h ALA 77 Cb 0.36 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1egr h ALA 77 CO -0.11 -0.68 -0.14 2.35 0.00 0.00 0.00 179.25 180.67 1egr h TRP 78 N -0.23 -0.34 -0.60 0.00 7.01 0.02 -2.33 115.95 119.47 1egr h TRP 78 Ca 0.17 0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.32 1egr h TRP 78 Cb 0.50 0.18 -0.11 0.00 -2.10 0.00 0.00 29.16 27.63 1egr h TRP 78 CO -0.47 -0.20 -0.10 0.28 -2.79 0.00 0.00 178.44 175.16 1egr h VAL 79 N -0.13 0.43 -1.58 2.65 2.07 0.18 -1.49 116.25 118.38 1egr h VAL 79 Ca 0.12 -0.01 0.46 0.00 0.82 0.00 0.00 66.70 68.09 1egr h VAL 79 Cb 0.31 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 1egr h VAL 79 CO -0.29 0.01 1.13 0.50 0.02 0.00 0.00 177.57 178.94 1egr h LYS 80 N 0.03 0.00 0.00 1.57 1.63 -0.68 0.31 116.57 119.44 1egr h LYS 80 Ca 0.30 -0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.96 1egr h LYS 80 Cb 0.47 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.07 1egr h LYS 80 CO -0.59 0.00 -1.54 -0.85 -3.45 0.00 0.00 179.45 173.02 1egr n GLU 81 N -4.07 1.44 0.14 1.90 0.28 -0.70 -3.30 120.64 116.32 1egr n GLU 81 Ca 0.35 0.03 0.05 0.00 -0.16 0.00 0.00 57.16 57.42 1egr n GLU 81 Cb 1.63 -1.20 0.04 0.00 1.43 0.00 0.00 31.44 33.34 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 2.35 -1.10 -3.37 115.58 111.62 1egr h ASN 82 Ca -0.21 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.40 1egr h ASN 82 Cb 1.40 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.75 1egr h ASN 82 CO -0.01 0.38 -1.51 0.18 -1.65 0.00 0.00 177.43 174.82 1egr n LEU 83 N -3.12 2.72 -3.72 1.61 7.99 0.78 -5.01 117.00 118.24 1egr n LEU 83 Ca 0.01 -0.03 -0.23 0.00 -0.01 0.00 0.00 56.01 55.75 1egr n LEU 83 Cb 0.70 -0.31 -0.07 0.00 -0.11 0.00 0.00 43.42 43.63 1egr n LEU 83 CO 0.40 0.60 -0.29 -0.67 -1.51 0.00 0.00 177.39 175.91 1egr n ASP 84 N -2.84 0.31 0.00 -1.43 -0.08 0.56 -5.00 116.55 108.07 1egr n ASP 84 Ca -0.16 -0.88 0.00 0.00 -1.51 0.00 0.00 54.79 52.24 1egr n ASP 84 Cb 0.67 -1.09 0.00 0.00 2.34 0.00 0.00 41.12 43.03 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32