#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 3.21 -0.17 0.03 -1.52 -1.26 -3.02 119.66 116.92 1egr s GLN 2 Ca 0.00 -1.08 -0.25 0.00 -1.95 0.00 0.00 55.36 52.07 1egr s GLN 2 Cb 0.00 -4.39 -0.01 0.00 -0.22 0.00 0.00 33.01 28.38 1egr s GLN 2 CO 0.00 -1.79 0.83 0.99 -0.25 0.00 0.00 175.29 175.08 1egr s THR 3 N 3.64 4.88 -0.09 -0.19 2.01 -0.55 0.24 115.64 125.58 1egr s THR 3 Ca 0.24 1.63 0.04 0.00 0.31 0.00 0.00 61.69 63.91 1egr s THR 3 Cb -0.15 -4.14 -0.00 0.00 0.01 0.00 0.00 72.50 68.22 1egr s THR 3 CO 0.05 0.02 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.07 1egr s VAL 4 N 2.20 2.11 -0.27 3.82 1.01 0.22 -0.49 120.40 129.00 1egr s VAL 4 Ca 0.38 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 1egr s VAL 4 Cb -0.16 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 1egr s VAL 4 CO 0.12 0.56 0.06 -0.63 0.00 0.00 0.00 175.10 175.21 1egr s ILE 5 N 0.21 3.94 -0.49 2.22 1.09 -0.71 -0.64 121.20 126.81 1egr s ILE 5 Ca -0.15 -0.54 -0.16 0.00 -1.10 0.00 0.00 60.65 58.71 1egr s ILE 5 Cb -0.17 -2.95 0.09 0.00 -1.06 0.00 0.00 42.46 38.37 1egr s ILE 5 CO 0.07 0.20 0.45 -0.36 -0.10 0.00 0.00 174.94 175.20 1egr s PHE 6 N 1.52 3.22 0.00 3.97 0.08 0.93 -0.76 117.98 126.95 1egr s PHE 6 Ca 0.04 -0.98 0.00 0.00 0.12 0.00 0.00 56.93 56.11 1egr s PHE 6 Cb -0.16 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 38.92 1egr s PHE 6 CO 0.02 -0.88 0.00 0.41 -0.10 0.00 0.00 175.22 174.67 1egr n GLY 7 N 5.21 2.26 0.00 4.36 0.00 -0.36 -0.69 105.19 115.97 1egr n GLY 7 Ca -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1egr n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1egr n ARG 8 N 0.00 0.00 0.00 1.61 3.00 -1.26 -3.83 116.66 116.17 1egr n ARG 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1egr n ARG 8 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1egr n ARG 8 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1egr n SER 9 N 0.00 0.00 -3.27 6.15 3.41 -1.26 -4.39 113.62 114.26 1egr n SER 9 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 1egr n SER 9 Cb 0.00 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 63.83 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 3.18 5.48 3.31 5.00 0.00 -1.26 -4.99 105.19 115.91 1egr n GLY 10 Ca 0.00 -2.74 -0.46 0.00 0.00 0.00 0.00 46.02 42.82 1egr n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1egr h PRO 12 N 8.59 0.00 0.00 0.00 0.13 -2.00 0.24 132.00 138.96 1egr h PRO 12 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1egr h PRO 12 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1egr h PRO 12 CO 0.96 0.00 0.00 0.98 -0.23 0.00 0.00 178.00 179.71 1egr n TYR 13 N -3.73 0.00 -0.12 1.56 9.36 -1.26 -2.75 117.16 120.22 1egr n TYR 13 Ca 0.05 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.12 1egr n TYR 13 Cb 0.49 -0.49 -0.12 0.00 -0.63 0.00 0.00 39.34 38.59 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 0.16 0.22 0.00 2.07 -1.32 0.27 116.25 117.65 1egr h VAL 15 Ca -0.54 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1egr h VAL 15 Cb 1.94 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1egr h VAL 15 CO -0.05 0.02 -0.11 0.03 0.02 0.00 0.00 177.57 177.48 1egr h ARG 16 N 0.10 -0.29 -0.79 1.57 2.47 -1.75 0.19 114.38 115.89 1egr h ARG 16 Ca 0.80 0.02 0.17 0.00 -1.26 0.00 0.00 59.98 59.71 1egr h ARG 16 Cb 2.52 0.07 -0.11 0.00 -1.65 0.00 0.00 29.97 30.80 1egr h ARG 16 CO -0.39 0.08 0.25 0.00 0.56 0.00 0.00 179.97 180.48 1egr h ALA 17 N -0.39 1.10 -0.07 0.04 0.00 -0.99 0.44 119.26 119.39 1egr h ALA 17 Ca -0.03 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1egr h ALA 17 Cb 0.51 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1egr h ALA 17 CO 0.05 -0.32 -0.01 -0.22 0.00 0.00 0.00 179.25 178.76 1egr h LYS 18 N 0.33 0.01 -0.07 0.00 3.11 -0.56 0.19 116.57 119.59 1egr h LYS 18 Ca 0.46 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.29 1egr h LYS 18 Cb 0.79 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.01 1egr h LYS 18 CO -0.50 0.01 0.04 0.22 -2.81 0.00 0.00 179.45 176.41 1egr h ASP 19 N 0.01 0.08 0.53 4.20 1.82 0.26 0.38 116.42 123.70 1egr h ASP 19 Ca 0.03 -0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.62 1egr h ASP 19 Cb 0.04 -0.02 0.01 0.00 0.68 0.00 0.00 39.33 40.04 1egr h ASP 19 CO -0.06 0.08 -0.25 0.25 -1.61 0.00 0.00 179.24 177.64 1egr h LEU 20 N 0.07 -0.60 -0.28 2.28 5.85 -0.07 0.42 115.31 122.98 1egr h LEU 20 Ca 0.02 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.81 1egr h LEU 20 Cb 0.01 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1egr h LEU 20 CO -0.00 -0.41 -0.12 0.00 -0.34 0.00 0.00 178.44 177.56 1egr h ALA 21 N -0.27 0.11 -0.59 1.25 0.00 -0.61 -0.12 119.26 119.03 1egr h ALA 21 Ca -0.07 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1egr h ALA 21 Cb 0.56 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 18.54 1egr h ALA 21 CO 0.12 -0.52 -0.10 1.49 0.00 0.00 0.00 179.25 180.24 1egr h GLU 22 N -0.08 0.03 0.06 0.00 4.81 0.11 0.36 114.58 119.86 1egr h GLU 22 Ca 0.14 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1egr h GLU 22 Cb 0.29 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1egr h GLU 22 CO -0.33 0.02 -0.35 -0.22 -0.73 0.00 0.00 179.01 177.41 1egr h LYS 23 N 0.03 -0.46 -0.62 1.92 1.63 0.16 1.05 116.57 120.28 1egr h LYS 23 Ca 0.29 0.03 0.11 0.00 -0.85 0.00 0.00 60.65 60.24 1egr h LYS 23 Cb 0.46 0.10 -0.12 0.00 -0.60 0.00 0.00 32.23 32.08 1egr h LYS 23 CO -0.58 -0.31 -0.32 -0.07 -3.45 0.00 0.00 179.45 174.73 1egr h LEU 24 N -0.48 -1.10 -1.68 5.20 3.38 0.00 0.96 115.31 121.60 1egr h LEU 24 Ca -0.00 0.23 0.21 0.00 0.09 0.00 0.00 57.88 58.41 1egr h LEU 24 Cb 0.49 0.56 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 1egr h LEU 24 CO -0.20 -0.29 0.59 -1.28 0.09 0.00 0.00 178.44 177.34 1egr h SER 25 N -0.13 0.27 -0.31 -0.43 0.87 0.94 0.28 113.55 115.04 1egr h SER 25 Ca 0.25 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.73 1egr h SER 25 Cb 0.55 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 1egr h SER 25 CO -0.70 0.11 -0.03 -3.20 -0.53 0.00 0.00 176.83 172.48 1egr n ASN 26 N -4.44 3.04 0.00 6.23 4.05 0.35 -4.62 115.26 119.88 1egr n ASN 26 Ca 0.18 -3.44 0.00 0.00 0.45 0.00 0.00 54.58 51.77 1egr n ASN 26 Cb 0.76 -0.59 0.00 0.00 1.23 0.00 0.00 39.78 41.17 1egr n ASN 26 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1egr n GLU 27 N -0.90 0.00 -4.76 1.20 2.13 0.21 -4.94 120.64 113.58 1egr n GLU 27 Ca 0.28 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.77 1egr n GLU 27 Cb 0.97 -0.24 -0.14 0.00 0.27 0.00 0.00 31.44 32.31 1egr n GLU 27 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1egr s ARG 28 N -1.90 3.16 -0.03 5.31 0.52 0.78 -4.99 118.95 121.81 1egr s ARG 28 Ca 0.00 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 1egr s ARG 28 Cb 0.00 -2.59 0.03 0.00 0.52 0.00 0.00 34.95 32.90 1egr s ARG 28 CO 0.00 0.35 1.53 -0.25 0.02 0.00 0.00 175.30 176.94 1egr n ASP 29 N 3.14 4.26 0.00 0.23 8.00 -1.26 -1.72 116.55 129.20 1egr n ASP 29 Ca -0.18 -2.27 0.00 0.00 0.71 0.00 0.00 54.79 53.05 1egr n ASP 29 Cb 0.53 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 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 0.91 0.27 -4.15 -2.24 5.68 -1.26 -5.06 116.55 110.69 1egr n ASP 30 Ca 0.03 -0.65 -0.23 0.00 -0.50 0.00 0.00 54.79 53.43 1egr n ASP 30 Cb 0.53 0.22 -0.15 0.00 -1.14 0.00 0.00 41.12 40.59 1egr n ASP 30 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1egr s PHE 31 N -0.22 1.43 -0.01 2.11 2.19 -0.70 -4.72 117.98 118.06 1egr s PHE 31 Ca 0.00 -0.29 -0.01 0.00 0.33 0.00 0.00 56.93 56.96 1egr s PHE 31 Cb 0.00 -0.90 0.00 0.00 -1.31 0.00 0.00 43.02 40.81 1egr s PHE 31 CO 0.00 -0.00 0.02 -0.65 1.83 0.00 0.00 175.22 176.42 1egr s GLN 32 N -0.58 0.06 0.23 10.12 -1.52 -1.17 -3.95 119.66 122.86 1egr s GLN 32 Ca 0.06 -0.03 0.07 0.00 -1.95 0.00 0.00 55.36 53.50 1egr s GLN 32 Cb -0.07 0.03 -0.05 0.00 -0.22 0.00 0.00 33.01 32.70 1egr s GLN 32 CO -0.00 -0.01 -0.09 1.52 -0.25 0.00 0.00 175.29 176.46 1egr s TYR 33 N -0.14 1.74 -0.04 0.91 1.13 -1.26 -1.49 117.35 118.20 1egr s TYR 33 Ca -0.02 -0.67 -0.14 0.00 -1.41 0.00 0.00 57.07 54.82 1egr s TYR 33 Cb -0.01 -0.91 0.03 0.00 -1.10 0.00 0.00 41.96 39.97 1egr s TYR 33 CO -0.00 0.26 0.33 -1.14 -2.51 0.00 0.00 175.55 172.49 1egr s GLN 34 N -3.71 0.61 0.05 -3.49 0.74 0.36 -4.91 119.66 109.31 1egr s GLN 34 Ca 0.25 -0.01 0.06 0.00 0.05 0.00 0.00 55.36 55.71 1egr s GLN 34 Cb 0.02 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.37 1egr s GLN 34 CO 0.08 -0.15 -0.12 -0.47 -0.55 0.00 0.00 175.29 174.08 1egr s TYR 35 N -0.94 2.72 0.13 1.67 5.04 -1.26 -1.74 117.35 122.96 1egr s TYR 35 Ca -0.10 -0.15 -0.04 0.00 -2.44 0.00 0.00 57.07 54.33 1egr s TYR 35 Cb -0.04 -1.50 -0.03 0.00 0.35 0.00 0.00 41.96 40.74 1egr s TYR 35 CO 0.03 0.35 0.13 0.08 -1.34 0.00 0.00 175.55 174.80 1egr s VAL 36 N -1.04 0.11 -0.16 3.14 1.01 0.06 -4.90 120.40 118.62 1egr s VAL 36 Ca 0.18 -1.65 0.01 0.00 0.00 0.00 0.00 61.98 60.52 1egr s VAL 36 Cb -0.11 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.46 1egr s VAL 36 CO 0.09 -0.51 -0.19 -0.62 0.00 0.00 0.00 175.10 173.87 1egr s ASP 37 N -2.98 3.01 0.49 3.32 -1.08 -1.26 -1.23 116.67 116.93 1egr s ASP 37 Ca 0.17 -0.60 0.19 0.00 -0.52 0.00 0.00 52.55 51.79 1egr s ASP 37 Cb 0.06 -1.40 1.01 0.00 -1.46 0.00 0.00 42.92 41.13 1egr s ASP 37 CO -0.02 0.01 1.51 0.16 0.52 0.00 0.00 175.17 177.35 1egr h ILE 38 N 5.94 0.00 -0.56 4.11 3.07 -1.88 0.67 117.51 128.86 1egr h ILE 38 Ca -0.41 0.00 -0.16 0.00 1.55 0.00 0.00 64.86 65.84 1egr h ILE 38 Cb 1.15 0.41 -0.09 0.00 -0.27 0.00 0.00 36.82 38.02 1egr h ILE 38 CO 0.59 0.00 0.20 -1.14 -1.05 0.00 0.00 178.15 176.75 1egr n ARG 39 N -2.41 3.17 -0.07 0.16 0.63 -1.26 -0.33 116.66 116.54 1egr n ARG 39 Ca -0.01 -2.34 -0.11 0.00 -0.92 0.00 0.00 57.85 54.46 1egr n ARG 39 Cb 0.41 -2.01 -0.06 0.00 0.45 0.00 0.00 32.46 31.25 1egr n ARG 39 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1egr n ALA 40 N -0.01 1.85 -0.06 5.13 0.00 0.23 -4.69 120.51 122.97 1egr n ALA 40 Ca 0.31 -0.56 -0.21 0.00 0.00 0.00 0.00 53.44 52.97 1egr n ALA 40 Cb 1.14 0.24 -0.13 0.00 0.00 0.00 0.00 19.45 20.70 1egr n ALA 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1egr n GLU 41 N -3.16 0.69 0.00 0.00 4.71 -1.25 -5.02 120.64 116.61 1egr n GLU 41 Ca -0.25 0.28 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 1egr n GLU 41 Cb 0.73 -1.65 0.00 0.00 -1.01 0.00 0.00 31.44 29.51 1egr n GLU 41 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1egr n GLY 42 N 1.91 0.69 3.91 0.62 0.00 -0.44 -5.12 105.19 106.76 1egr n GLY 42 Ca -0.37 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.98 5.28 0.05 -0.61 1.01 0.55 -5.02 121.20 121.47 1egr s ILE 43 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1egr s ILE 43 Cb 0.00 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1egr s ILE 43 CO 0.00 0.10 0.01 0.35 0.00 0.00 0.00 174.94 175.40 1egr n THR 44 N 0.21 0.00 0.11 2.92 -2.24 -1.26 -4.77 114.28 109.25 1egr n THR 44 Ca -0.04 -0.21 -0.02 0.00 -2.27 0.00 0.00 64.05 61.51 1egr n THR 44 Cb 0.51 -0.10 0.05 0.00 -2.10 0.00 0.00 70.33 68.69 1egr n THR 44 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1egr h LYS 45 N 0.00 0.00 0.34 -0.78 3.64 -1.98 -2.93 116.57 114.86 1egr h LYS 45 Ca -0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1egr h LYS 45 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1egr h LYS 45 CO 0.06 0.71 -0.16 0.93 -2.27 0.00 0.00 179.45 178.71 1egr h GLU 46 N 0.00 -0.44 -0.89 1.90 3.07 -1.98 0.51 114.58 116.76 1egr h GLU 46 Ca -0.01 0.03 0.21 0.00 -0.50 0.00 0.00 59.36 59.09 1egr h GLU 46 Cb 1.40 0.10 -0.12 0.00 -0.84 0.00 0.00 28.75 29.29 1egr h GLU 46 CO 0.09 -0.14 0.40 0.22 -1.40 0.00 0.00 179.01 178.18 1egr h ASP 47 N -0.99 0.36 0.15 1.42 3.58 -1.97 0.10 116.42 119.07 1egr h ASP 47 Ca -0.05 0.15 -0.27 0.00 0.42 0.00 0.00 57.03 57.28 1egr h ASP 47 Cb 0.50 0.12 0.02 0.00 1.72 0.00 0.00 39.33 41.69 1egr h ASP 47 CO 0.08 0.03 -1.10 -0.07 -2.88 0.00 0.00 179.24 175.29 1egr h LEU 48 N 0.43 0.80 -0.40 2.28 3.38 -1.49 -3.13 115.31 117.18 1egr h LEU 48 Ca 0.55 -0.68 0.06 0.00 0.09 0.00 0.00 57.88 57.89 1egr h LEU 48 Cb 1.01 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 1egr h LEU 48 CO -0.51 1.49 0.11 -0.61 0.09 0.00 0.00 178.44 179.01 1egr h GLN 49 N 0.31 0.24 -0.82 1.13 4.15 0.21 0.52 115.11 120.84 1egr h GLN 49 Ca -0.14 -0.01 0.23 0.00 0.77 0.00 0.00 58.65 59.49 1egr h GLN 49 Cb 1.76 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 29.36 1egr h GLN 49 CO 0.21 0.16 0.58 0.37 -1.93 0.00 0.00 178.83 178.22 1egr h GLN 50 N 0.25 0.07 0.00 1.69 -0.00 -0.92 -1.08 115.11 115.11 1egr h GLN 50 Ca 0.19 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.78 1egr h GLN 50 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.66 1egr h GLN 50 CO -0.22 0.04 -0.62 0.87 0.00 0.00 0.00 178.83 178.91 1egr h LYS 51 N 0.07 0.00 -0.97 1.69 1.57 -0.87 -3.38 116.57 114.68 1egr h LYS 51 Ca 0.40 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.43 1egr h LYS 51 Cb 1.47 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.72 1egr h LYS 51 CO -0.03 0.24 0.66 0.00 -0.57 0.00 0.00 179.45 179.74 1egr h ALA 52 N -0.87 2.50 -2.16 3.86 0.00 0.14 -3.45 119.26 119.28 1egr h ALA 52 Ca -0.08 0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.51 1egr h ALA 52 Cb 0.65 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1egr h ALA 52 CO -0.05 -0.81 -0.41 0.41 0.00 0.00 0.00 179.25 178.39 1egr n GLY 53 N -1.59 -0.07 0.00 0.00 0.00 -0.43 -4.71 105.19 98.39 1egr n GLY 53 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.57 0.68 -3.14 1.61 4.76 -1.26 -5.12 118.16 113.12 1egr n LYS 54 Ca -0.19 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 54.88 1egr n LYS 54 Cb 0.64 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.77 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 -1.97 4.24 0.28 1.97 0.04 -1.26 -4.87 135.00 133.43 1egr s PRO 55 Ca 0.00 0.83 0.11 0.00 0.04 0.00 0.00 61.00 61.98 1egr s PRO 55 Cb 0.00 -2.97 -0.05 0.00 0.04 0.00 0.00 34.50 31.52 1egr s PRO 55 CO 0.00 0.46 -0.14 0.14 0.04 0.00 0.00 177.00 177.49 1egr s VAL 56 N -1.42 2.69 0.00 -0.36 -7.23 -1.26 -5.10 120.40 107.72 1egr s VAL 56 Ca 0.40 -2.27 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 1egr s VAL 56 Cb -0.18 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.31 1egr s VAL 56 CO 0.21 -0.38 0.00 -0.62 -0.31 0.00 0.00 175.10 174.00 1egr n GLU 57 N -0.70 0.00 0.00 4.82 1.02 -1.26 -5.08 120.64 119.44 1egr n GLU 57 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1egr n GLU 57 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 1egr n GLU 57 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1egr n THR 58 N 0.00 0.00 -3.80 2.62 -2.24 -1.26 -5.00 114.28 104.60 1egr n THR 58 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1egr n THR 58 Cb 0.00 -0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 67.32 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 -0.65 0.07 0.17 2.28 -7.23 -1.26 -4.75 120.40 109.03 1egr s VAL 59 Ca 0.00 -0.54 0.04 0.00 -1.81 0.00 0.00 61.98 59.67 1egr s VAL 59 Cb 0.00 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.36 1egr s VAL 59 CO 0.00 -0.30 0.20 -2.16 -0.31 0.00 0.00 175.10 172.53 1egr s PRO 60 N -1.32 3.10 0.12 4.82 0.04 -1.26 -5.07 135.00 135.43 1egr s PRO 60 Ca -0.14 -0.80 0.10 0.00 0.04 0.00 0.00 61.00 60.20 1egr s PRO 60 Cb -0.06 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 1egr s PRO 60 CO 0.03 0.48 -0.23 -0.65 0.04 0.00 0.00 177.00 176.67 1egr s GLN 61 N -3.28 1.59 0.00 4.56 -1.52 0.13 -4.45 119.66 116.70 1egr s GLN 61 Ca 0.32 -1.26 0.05 0.00 -1.95 0.00 0.00 55.36 52.53 1egr s GLN 61 Cb -0.10 -2.00 -0.02 0.00 -0.22 0.00 0.00 33.01 30.68 1egr s GLN 61 CO 0.25 0.47 -0.17 0.42 -0.25 0.00 0.00 175.29 176.02 1egr s ILE 62 N -1.07 1.31 0.05 1.08 1.01 0.15 -0.05 121.20 123.68 1egr s ILE 62 Ca 0.15 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 60.08 1egr s ILE 62 Cb -0.10 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1egr s ILE 62 CO 0.07 0.30 -0.21 -0.36 0.00 0.00 0.00 174.94 174.74 1egr s PHE 63 N -0.49 1.82 -0.54 3.97 0.40 0.18 -2.04 117.98 121.29 1egr s PHE 63 Ca 0.06 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1egr s PHE 63 Cb -0.07 -1.08 0.14 0.00 0.51 0.00 0.00 43.02 42.52 1egr s PHE 63 CO -0.00 0.10 0.30 0.08 0.70 0.00 0.00 175.22 176.40 1egr s VAL 64 N -0.82 2.91 0.00 -0.44 1.01 0.83 -0.61 120.40 123.27 1egr s VAL 64 Ca 0.07 -3.16 0.00 0.00 0.00 0.00 0.00 61.98 58.90 1egr s VAL 64 Cb -0.09 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1egr s VAL 64 CO 0.02 -0.81 0.00 -0.67 0.00 0.00 0.00 175.10 173.64 1egr n ASP 65 N 3.29 0.00 0.00 3.32 2.03 0.14 -1.45 116.55 123.88 1egr n ASP 65 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1egr n ASP 65 Cb 0.34 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 1egr n ASP 65 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1egr n GLN 66 N 0.00 3.99 -2.96 -0.67 7.27 -1.26 -4.67 117.38 119.08 1egr n GLN 66 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.80 1egr n GLN 66 Cb 0.00 -0.65 -0.01 0.00 2.41 0.00 0.00 30.24 31.99 1egr n GLN 66 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1egr s GLN 67 N -0.64 3.59 -0.06 3.69 -1.52 -0.53 -5.06 119.66 119.12 1egr s GLN 67 Ca 0.00 0.10 -0.03 0.00 -1.95 0.00 0.00 55.36 53.48 1egr s GLN 67 Cb 0.00 -2.49 -0.04 0.00 -0.22 0.00 0.00 33.01 30.26 1egr s GLN 67 CO 0.00 -0.02 0.08 -1.58 -0.25 0.00 0.00 175.29 173.51 1egr s HIS 68 N -2.47 3.35 -0.12 0.91 5.65 -1.26 -0.12 115.29 121.23 1egr s HIS 68 Ca 0.46 0.30 -0.03 0.00 0.25 0.00 0.00 55.06 56.03 1egr s HIS 68 Cb -0.10 -1.81 -0.06 0.00 -1.18 0.00 0.00 32.58 29.43 1egr s HIS 68 CO 0.38 0.58 -0.13 -0.89 -0.65 0.00 0.00 174.74 174.03 1egr n ILE 69 N 1.68 0.64 0.00 0.89 2.08 -0.86 -4.92 119.36 118.87 1egr n ILE 69 Ca -0.17 -0.19 0.00 0.00 0.56 0.00 0.00 62.75 62.95 1egr n ILE 69 Cb 0.54 -1.36 0.00 0.00 -0.75 0.00 0.00 39.64 38.06 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 2.54 0.77 1.45 7.39 0.00 -1.21 -4.77 105.19 111.35 1egr n GLY 70 Ca -0.22 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 3.87 0.25 -0.02 0.00 -1.26 0.33 105.19 108.36 1egr n GLY 71 Ca 0.00 -2.27 0.01 0.00 0.00 0.00 0.00 46.02 43.76 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 1.06 -0.24 -0.29 1.61 3.20 -1.86 0.16 116.97 120.62 1egr h TYR 72 Ca -0.17 0.06 0.07 0.00 3.14 0.00 0.00 58.73 61.83 1egr h TYR 72 Cb 0.51 0.21 -0.08 0.00 1.54 0.00 0.00 36.73 38.91 1egr h TYR 72 CO 0.00 -0.26 -0.32 1.79 -1.64 0.00 0.00 178.16 177.73 1egr h THR 73 N 0.04 0.26 0.17 1.81 1.35 -1.95 0.38 112.91 114.95 1egr h THR 73 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.20 1egr h THR 73 Cb 0.54 0.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.21 1egr h THR 73 CO -0.65 0.00 -0.15 0.44 -0.25 0.00 0.00 175.52 174.91 1egr h ASP 74 N -0.31 -0.38 -0.50 5.36 5.19 -1.51 -0.95 116.42 123.32 1egr h ASP 74 Ca 0.14 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1egr h ASP 74 Cb 0.54 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 1egr h ASP 74 CO -0.46 -0.23 0.30 0.15 -3.12 0.00 0.00 179.24 175.89 1egr h PHE 75 N -0.33 0.67 0.83 4.55 3.57 -0.32 0.58 116.94 126.48 1egr h PHE 75 Ca -0.00 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1egr h PHE 75 Cb 0.31 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 38.84 1egr h PHE 75 CO -0.12 0.47 -0.40 0.00 -2.23 0.00 0.00 178.31 176.03 1egr h ALA 76 N 1.14 -1.12 0.46 2.41 0.00 0.02 0.25 119.26 122.42 1egr h ALA 76 Ca 0.18 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1egr h ALA 76 Cb -0.00 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1egr h ALA 76 CO -0.03 -1.13 -0.28 0.00 0.00 0.00 0.00 179.25 177.81 1egr h ALA 77 N -0.93 -0.70 -0.66 0.00 0.00 -1.11 -2.84 119.26 113.02 1egr h ALA 77 Ca -0.11 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.77 1egr h ALA 77 Cb 0.86 0.34 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 1egr h ALA 77 CO 0.18 -0.90 -0.35 2.35 0.00 0.00 0.00 179.25 180.53 1egr h TRP 78 N -0.70 -0.97 -0.65 0.00 7.01 0.25 -1.81 115.95 119.09 1egr h TRP 78 Ca -0.05 0.08 0.07 0.00 2.11 0.00 0.00 58.89 61.09 1egr h TRP 78 Cb 0.57 0.52 -0.10 0.00 -2.10 0.00 0.00 29.16 28.05 1egr h TRP 78 CO -0.09 -0.39 -0.56 0.28 -2.79 0.00 0.00 178.44 174.89 1egr h VAL 79 N -0.14 0.01 -1.61 2.65 2.07 -0.27 -0.84 116.25 118.12 1egr h VAL 79 Ca 0.25 0.00 0.47 0.00 0.82 0.00 0.00 66.70 68.24 1egr h VAL 79 Cb 0.56 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.27 1egr h VAL 79 CO -0.73 0.00 1.15 0.50 0.02 0.00 0.00 177.57 178.51 1egr h LYS 80 N -0.23 0.00 -0.22 1.57 1.63 -1.16 0.20 116.57 118.37 1egr h LYS 80 Ca 0.12 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1egr h LYS 80 Cb 0.53 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1egr h LYS 80 CO -0.74 0.00 0.00 0.39 -3.45 0.00 0.00 179.45 175.66 1egr n GLU 81 N -4.07 1.84 0.00 1.90 4.71 -0.35 -4.09 120.64 120.59 1egr n GLU 81 Ca 0.36 -1.76 0.00 0.00 -0.01 0.00 0.00 57.16 55.75 1egr n GLU 81 Cb 1.66 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 30.77 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 0.83 4.71 -0.69 1.62 3.02 0.45 -4.76 115.26 120.44 1egr n ASN 82 Ca 0.12 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.71 1egr n ASN 82 Cb 0.42 0.41 0.20 0.00 -0.61 0.00 0.00 39.78 40.19 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 -2.04 3.18 -2.36 3.41 4.77 0.23 -4.80 117.00 119.39 1egr n LEU 83 Ca 0.00 -3.61 -0.23 0.00 -0.03 0.00 0.00 56.01 52.14 1egr n LEU 83 Cb 0.49 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.94 1egr n LEU 83 CO 0.00 1.15 1.61 -0.67 -1.33 0.00 0.00 177.39 178.15 1egr n ASP 84 N -1.12 6.13 0.00 -1.43 2.03 -1.26 -4.97 116.55 115.93 1egr n ASP 84 Ca 0.23 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.55 1egr n ASP 84 Cb 0.81 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28