#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 3.22 -0.17 0.03 -0.21 -1.26 -0.92 119.66 120.34 1egr s GLN 2 Ca 0.00 -1.52 -0.18 0.00 0.02 0.00 0.00 55.36 53.68 1egr s GLN 2 Cb 0.00 -4.40 -0.03 0.00 1.00 0.00 0.00 33.01 29.58 1egr s GLN 2 CO 0.00 -1.57 0.51 0.99 -2.12 0.00 0.00 175.29 173.10 1egr s THR 3 N 2.44 5.13 0.01 -0.19 2.01 -0.15 -0.23 115.64 124.66 1egr s THR 3 Ca 0.17 0.96 0.05 0.00 0.31 0.00 0.00 61.69 63.18 1egr s THR 3 Cb -0.19 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 1egr s THR 3 CO 0.02 0.22 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.33 1egr s VAL 4 N 1.32 1.15 -0.12 3.82 1.01 0.15 -0.15 120.40 127.57 1egr s VAL 4 Ca 0.25 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1egr s VAL 4 Cb -0.15 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1egr s VAL 4 CO 0.10 0.23 -0.08 -0.63 0.00 0.00 0.00 175.10 174.72 1egr s ILE 5 N -0.49 3.53 -0.18 2.22 1.09 -0.55 -0.79 121.20 126.02 1egr s ILE 5 Ca 0.05 -0.50 0.01 0.00 -1.10 0.00 0.00 60.65 59.10 1egr s ILE 5 Cb -0.06 -2.50 0.04 0.00 -1.06 0.00 0.00 42.46 38.87 1egr s ILE 5 CO 0.00 0.53 -0.12 -0.36 -0.10 0.00 0.00 174.94 174.89 1egr s PHE 6 N 0.07 2.36 0.00 3.97 0.40 0.17 -0.86 117.98 124.10 1egr s PHE 6 Ca -0.03 -1.49 0.00 0.00 -0.60 0.00 0.00 56.93 54.81 1egr s PHE 6 Cb -0.14 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 41.75 1egr s PHE 6 CO 0.03 -0.73 0.00 0.41 0.70 0.00 0.00 175.22 175.64 1egr n GLY 7 N 4.71 -1.67 3.38 4.36 0.00 -0.65 -1.25 105.19 114.06 1egr n GLY 7 Ca -0.15 -2.22 -0.19 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.93 1.43 -0.16 1.61 1.70 -1.26 -4.80 118.95 116.53 1egr s ARG 8 Ca 0.00 -1.70 -0.11 0.00 -0.47 0.00 0.00 55.73 53.45 1egr s ARG 8 Cb 0.00 -1.02 -0.07 0.00 -0.57 0.00 0.00 34.95 33.29 1egr s ARG 8 CO 0.00 0.05 -0.25 -1.13 -1.08 0.00 0.00 175.30 172.89 1egr n SER 9 N -0.49 1.46 0.00 -2.89 3.41 -1.26 -3.77 113.62 110.08 1egr n SER 9 Ca -0.06 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1egr n SER 9 Cb 0.63 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 1.88 2.87 3.99 5.00 0.00 -1.26 -4.98 105.19 112.68 1egr n GLY 10 Ca -0.29 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.14 0.03 0.04 0.00 -0.02 -1.26 -4.24 135.00 127.41 1egr n PRO 12 Ca 0.08 -1.02 -0.00 0.00 -2.02 0.00 0.00 63.50 60.54 1egr n PRO 12 Cb 0.59 -2.66 -0.00 0.00 -0.02 0.00 0.00 33.50 31.42 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 11.48 0.00 -0.35 6.00 9.36 -1.26 -4.61 117.16 137.78 1egr n TYR 13 Ca 0.36 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.65 1egr n TYR 13 Cb 0.42 -0.01 0.26 0.00 -0.63 0.00 0.00 39.34 39.38 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 0.96 0.21 -0.91 0.00 2.07 -1.86 0.12 116.25 116.83 1egr h VAL 15 Ca 0.49 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.08 1egr h VAL 15 Cb 0.51 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1egr h VAL 15 CO -0.25 0.00 0.57 0.03 0.02 0.00 0.00 177.57 177.94 1egr h ARG 16 N -0.01 0.99 -0.41 1.57 2.47 -1.56 0.24 114.38 117.67 1egr h ARG 16 Ca 0.37 -0.06 0.05 0.00 -1.26 0.00 0.00 59.98 59.07 1egr h ARG 16 Cb 0.57 -0.22 -0.04 0.00 -1.65 0.00 0.00 29.97 28.62 1egr h ARG 16 CO -0.80 0.66 0.16 0.00 0.56 0.00 0.00 179.97 180.54 1egr h ALA 17 N 1.43 0.49 0.08 0.04 0.00 -0.86 -0.47 119.26 119.97 1egr h ALA 17 Ca 0.40 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.37 1egr h ALA 17 Cb 0.20 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1egr h ALA 17 CO -0.18 -0.23 -0.15 -0.22 0.00 0.00 0.00 179.25 178.46 1egr h LYS 18 N 0.33 -0.28 -0.69 0.00 3.11 -0.13 0.47 116.57 119.37 1egr h LYS 18 Ca 0.19 0.02 0.13 0.00 -2.81 0.00 0.00 60.65 58.18 1egr h LYS 18 Cb 0.16 0.06 -0.13 0.00 -1.00 0.00 0.00 32.23 31.33 1egr h LYS 18 CO -0.18 -0.19 -0.27 -0.44 -2.81 0.00 0.00 179.45 175.56 1egr h ASP 19 N -0.29 -0.96 0.83 4.20 5.19 0.27 0.53 116.42 126.19 1egr h ASP 19 Ca 0.03 0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.63 1egr h ASP 19 Cb 0.32 0.54 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1egr h ASP 19 CO -0.09 -0.28 -0.48 0.25 -3.12 0.00 0.00 179.24 175.52 1egr h LEU 20 N -0.08 -1.19 -0.81 1.55 5.85 -0.43 0.47 115.31 120.68 1egr h LEU 20 Ca 0.30 0.06 0.18 0.00 0.84 0.00 0.00 57.88 59.26 1egr h LEU 20 Cb 0.55 0.34 -0.11 0.00 0.37 0.00 0.00 40.66 41.81 1egr h LEU 20 CO -0.74 -0.75 0.29 0.00 -0.34 0.00 0.00 178.44 176.89 1egr h ALA 21 N -1.26 1.16 0.13 1.25 0.00 -0.30 0.93 119.26 121.18 1egr h ALA 21 Ca -0.11 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1egr h ALA 21 Cb 0.96 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1egr h ALA 21 CO 0.14 -0.30 -0.06 1.49 0.00 0.00 0.00 179.25 180.51 1egr h GLU 22 N 0.37 -0.17 -0.17 0.00 4.81 0.34 0.35 114.58 120.11 1egr h GLU 22 Ca 0.47 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.76 1egr h GLU 22 Cb 0.82 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.16 1egr h GLU 22 CO -0.49 0.01 -0.38 -0.22 -0.73 0.00 0.00 179.01 177.20 1egr h LYS 23 N -0.32 -0.42 -0.63 1.92 3.11 0.19 0.11 116.57 120.54 1egr h LYS 23 Ca -0.02 0.03 0.05 0.00 -2.81 0.00 0.00 60.65 57.90 1egr h LYS 23 Cb 0.26 0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 31.53 1egr h LYS 23 CO 0.03 -0.28 0.35 -0.07 -2.81 0.00 0.00 179.45 176.68 1egr h LEU 24 N -0.43 0.54 -2.00 5.20 3.38 -0.81 0.19 115.31 121.38 1egr h LEU 24 Ca 0.09 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.32 1egr h LEU 24 Cb 0.59 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1egr h LEU 24 CO -0.40 0.36 0.58 -1.28 0.09 0.00 0.00 178.44 177.78 1egr h SER 25 N 0.67 0.00 -0.67 -0.43 0.87 0.12 0.28 113.55 114.38 1egr h SER 25 Ca 0.27 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.59 1egr h SER 25 Cb 0.14 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 61.95 1egr h SER 25 CO -0.16 0.00 0.31 -3.20 -0.53 0.00 0.00 176.83 173.25 1egr n ASN 26 N -4.28 4.17 0.00 6.23 2.85 0.65 -4.18 115.26 120.70 1egr n ASN 26 Ca 0.16 -3.09 0.00 0.00 -0.11 0.00 0.00 54.58 51.55 1egr n ASN 26 Cb 0.88 -0.73 0.00 0.00 1.24 0.00 0.00 39.78 41.17 1egr n ASN 26 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1egr n GLU 27 N -0.27 0.11 -4.81 1.20 1.02 0.84 -5.04 120.64 113.69 1egr n GLU 27 Ca 0.38 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.19 1egr n GLU 27 Cb 1.28 -0.53 -0.15 0.00 -0.02 0.00 0.00 31.44 32.03 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 -1.06 3.35 -0.00 3.49 0.52 -0.35 -4.98 118.95 119.91 1egr s ARG 28 Ca 0.00 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 1egr s ARG 28 Cb 0.00 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.88 1egr s ARG 28 CO 0.00 0.21 1.26 -0.25 0.02 0.00 0.00 175.30 176.54 1egr n ASP 29 N 3.54 3.61 0.00 0.23 8.00 -1.26 -1.50 116.55 129.16 1egr n ASP 29 Ca -0.18 -2.12 0.00 0.00 0.71 0.00 0.00 54.79 53.20 1egr n ASP 29 Cb 0.53 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 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 0.74 0.15 -4.15 -2.24 5.68 -1.26 -5.06 116.55 110.40 1egr n ASP 30 Ca 0.00 -0.84 -0.32 0.00 -0.50 0.00 0.00 54.79 53.13 1egr n ASP 30 Cb 0.51 0.03 -0.16 0.00 -1.14 0.00 0.00 41.12 40.35 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 -0.03 2.60 0.04 2.11 2.19 -0.57 -4.16 117.98 120.16 1egr s PHE 31 Ca 0.00 -1.33 -0.04 0.00 0.33 0.00 0.00 56.93 55.89 1egr s PHE 31 Cb 0.00 -1.78 -0.02 0.00 -1.31 0.00 0.00 43.02 39.92 1egr s PHE 31 CO 0.00 -0.62 0.06 -0.65 1.83 0.00 0.00 175.22 175.84 1egr s GLN 32 N 0.89 0.56 0.17 10.12 -1.52 -0.10 -4.21 119.66 125.56 1egr s GLN 32 Ca -0.06 -0.81 0.02 0.00 -1.95 0.00 0.00 55.36 52.56 1egr s GLN 32 Cb -0.15 0.21 -0.05 0.00 -0.22 0.00 0.00 33.01 32.81 1egr s GLN 32 CO -0.03 -0.13 -0.01 1.52 -0.25 0.00 0.00 175.29 176.39 1egr s TYR 33 N -2.69 1.19 0.04 0.91 1.13 -1.26 -0.98 117.35 115.69 1egr s TYR 33 Ca -0.04 -1.00 -0.04 0.00 -1.41 0.00 0.00 57.07 54.58 1egr s TYR 33 Cb -0.01 -0.68 -0.02 0.00 -1.10 0.00 0.00 41.96 40.16 1egr s TYR 33 CO -0.05 -0.19 0.06 -1.14 -2.51 0.00 0.00 175.55 171.71 1egr s GLN 34 N -3.90 0.54 -0.10 -3.49 -0.44 0.79 -4.92 119.66 108.14 1egr s GLN 34 Ca 0.23 -0.78 0.01 0.00 -2.50 0.00 0.00 55.36 52.32 1egr s GLN 34 Cb 0.06 0.21 0.02 0.00 -1.64 0.00 0.00 33.01 31.65 1egr s GLN 34 CO 0.03 -0.12 -0.11 -0.47 0.50 0.00 0.00 175.29 175.11 1egr s TYR 35 N -2.54 1.64 0.11 1.67 6.14 -1.26 -1.49 117.35 121.62 1egr s TYR 35 Ca -0.06 -0.75 0.09 0.00 0.64 0.00 0.00 57.07 56.99 1egr s TYR 35 Cb -0.02 -1.25 -0.04 0.00 0.42 0.00 0.00 41.96 41.08 1egr s TYR 35 CO -0.04 -0.44 -0.23 0.08 0.64 0.00 0.00 175.55 175.56 1egr s VAL 36 N 1.17 1.89 -0.12 3.14 1.01 -0.04 -4.96 120.40 122.49 1egr s VAL 36 Ca -0.04 -1.61 0.02 0.00 0.00 0.00 0.00 61.98 60.35 1egr s VAL 36 Cb -0.14 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.55 1egr s VAL 36 CO -0.03 -0.00 -0.17 -0.62 0.00 0.00 0.00 175.10 174.27 1egr s ASP 37 N -1.94 2.67 0.37 3.32 -1.08 -1.26 -1.63 116.67 117.12 1egr s ASP 37 Ca 0.09 -0.49 0.20 0.00 -0.52 0.00 0.00 52.55 51.83 1egr s ASP 37 Cb -0.10 -1.21 1.22 0.00 -1.46 0.00 0.00 42.92 41.37 1egr s ASP 37 CO 0.05 0.03 1.65 0.16 0.52 0.00 0.00 175.17 177.57 1egr h ILE 38 N 5.92 0.21 -0.68 4.11 3.07 -1.89 0.14 117.51 128.40 1egr h ILE 38 Ca -0.32 -0.07 -0.20 0.00 1.55 0.00 0.00 64.86 65.82 1egr h ILE 38 Cb 1.18 -0.01 -0.12 0.00 -0.27 0.00 0.00 36.82 37.59 1egr h ILE 38 CO 0.51 0.04 0.26 -1.14 -1.05 0.00 0.00 178.15 176.77 1egr n ARG 39 N -4.97 3.47 -0.01 0.16 3.00 -1.26 -1.17 116.66 115.88 1egr n ARG 39 Ca 0.34 -2.76 -0.02 0.00 -0.00 0.00 0.00 57.85 55.40 1egr n ARG 39 Cb 1.14 -2.13 -0.01 0.00 0.00 0.00 0.00 32.46 31.46 1egr n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1egr n ALA 40 N -0.10 2.29 -0.02 5.13 0.00 0.48 -4.77 120.51 123.51 1egr n ALA 40 Ca 0.37 -0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.64 1egr n ALA 40 Cb 1.30 0.45 -0.13 0.00 0.00 0.00 0.00 19.45 21.06 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 -2.80 0.64 0.00 0.00 4.71 -1.07 -5.02 120.64 117.11 1egr n GLU 41 Ca -0.05 0.20 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 1egr n GLU 41 Cb 0.55 -1.73 0.00 0.00 -1.01 0.00 0.00 31.44 29.24 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 1.55 0.78 3.64 0.62 0.00 -1.09 -5.12 105.19 105.56 1egr n GLY 42 Ca -0.18 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.54 3.50 0.03 -0.61 1.01 -0.31 -5.06 121.20 118.22 1egr s ILE 43 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 60.65 58.98 1egr s ILE 43 Cb 0.00 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.67 1egr s ILE 43 CO 0.00 -0.22 0.04 0.35 0.00 0.00 0.00 174.94 175.10 1egr n THR 44 N -0.41 0.00 -0.12 2.92 -2.24 -1.26 -4.76 114.28 108.40 1egr n THR 44 Ca -0.09 -0.09 -0.26 0.00 -2.27 0.00 0.00 64.05 61.34 1egr n THR 44 Cb 0.57 -0.92 -0.11 0.00 -2.10 0.00 0.00 70.33 67.78 1egr n THR 44 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1egr n LYS 45 N -1.00 0.58 -0.15 -0.78 2.85 -1.26 -4.02 118.16 114.38 1egr n LYS 45 Ca 0.01 0.40 -0.05 0.00 -1.05 0.00 0.00 58.31 57.62 1egr n LYS 45 Cb 0.03 -1.60 0.02 0.00 -0.65 0.00 0.00 35.03 32.82 1egr n LYS 45 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1egr h GLU 46 N -1.00 -0.13 -0.78 -1.58 3.07 -1.97 0.37 114.58 112.56 1egr h GLU 46 Ca -0.55 0.01 0.18 0.00 -0.50 0.00 0.00 59.36 58.49 1egr h GLU 46 Cb 1.48 0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 29.31 1egr h GLU 46 CO -0.33 -0.09 0.23 0.22 -1.40 0.00 0.00 179.01 177.64 1egr h ASP 47 N -0.13 0.09 -0.26 1.42 1.82 -1.98 0.48 116.42 117.86 1egr h ASP 47 Ca 0.22 0.15 -0.12 0.00 -0.39 0.00 0.00 57.03 56.89 1egr h ASP 47 Cb 0.47 0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.66 1egr h ASP 47 CO -0.55 -0.03 -0.30 -0.07 -1.61 0.00 0.00 179.24 176.68 1egr h LEU 48 N 0.31 0.72 -1.75 2.28 3.38 -1.32 -2.74 115.31 116.19 1egr h LEU 48 Ca 0.45 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1egr h LEU 48 Cb 0.80 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1egr h LEU 48 CO -0.52 1.07 0.26 -0.61 0.09 0.00 0.00 178.44 178.72 1egr h GLN 49 N 0.40 0.30 0.00 1.13 5.75 0.16 0.60 115.11 123.44 1egr h GLN 49 Ca 0.04 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1egr h GLN 49 Cb 0.88 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.36 1egr h GLN 49 CO 0.07 0.20 0.00 0.94 -2.65 0.00 0.00 178.83 177.39 1egr n GLN 50 N -4.48 0.59 -0.03 1.69 -0.06 0.15 -0.51 117.38 114.73 1egr n GLN 50 Ca 0.04 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 55.00 1egr n GLN 50 Cb 0.22 -1.45 -0.02 0.00 -4.06 0.00 0.00 30.24 24.93 1egr n GLN 50 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1egr n LYS 51 N -0.95 0.13 -0.07 3.69 5.02 0.19 -4.81 118.16 121.35 1egr n LYS 51 Ca 0.13 0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.32 1egr n LYS 51 Cb 0.06 -1.00 -0.12 0.00 -0.02 0.00 0.00 35.03 33.95 1egr n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1egr h ALA 52 N -0.06 0.03 0.00 7.82 0.00 -0.72 -3.46 119.26 122.87 1egr h ALA 52 Ca -0.13 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1egr h ALA 52 Cb 1.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1egr h ALA 52 CO -0.04 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1egr n GLY 53 N 1.61 2.38 3.90 0.00 0.00 0.33 -4.98 105.19 108.43 1egr n GLY 53 Ca -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 -0.43 1.61 5.02 -1.26 -4.57 118.16 118.53 1egr n LYS 54 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1egr n LYS 54 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 2.03 1.11 -3.28 1.97 -0.04 -1.26 -5.08 135.00 130.45 1egr n PRO 55 Ca 0.00 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.01 1egr n PRO 55 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1egr n PRO 55 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1egr s VAL 56 N 0.54 5.82 0.00 0.52 -7.23 -1.26 -4.86 120.40 113.93 1egr s VAL 56 Ca 0.00 -3.19 0.00 0.00 -1.81 0.00 0.00 61.98 56.98 1egr s VAL 56 Cb 0.00 -4.63 0.00 0.00 0.56 0.00 0.00 36.38 32.31 1egr s VAL 56 CO 0.00 -1.23 0.00 -1.84 -0.31 0.00 0.00 175.10 171.72 1egr n GLU 57 N 3.28 0.00 0.00 4.82 -0.00 -1.26 -5.18 120.64 122.31 1egr n GLU 57 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.40 1egr n GLU 57 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.85 1egr n GLU 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1egr n THR 58 N 0.00 0.00 -3.64 3.84 -1.04 -1.26 -5.19 114.28 106.99 1egr n THR 58 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1egr n THR 58 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1egr n THR 58 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1egr n VAL 59 N 0.00 0.00 -0.71 12.58 0.24 -1.26 -4.89 118.33 124.29 1egr n VAL 59 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.13 1egr n VAL 59 Cb 0.00 -0.26 0.14 0.00 -1.47 0.00 0.00 33.84 32.25 1egr n VAL 59 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1egr n PRO 60 N -0.24 -2.37 -4.10 7.34 -0.04 -1.25 -5.02 135.00 129.33 1egr n PRO 60 Ca 0.00 -0.95 -0.14 0.00 -0.04 0.00 0.00 63.50 62.37 1egr n PRO 60 Cb 0.00 -0.92 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 1egr n PRO 60 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1egr s GLN 61 N -4.34 0.62 0.02 0.54 2.00 -0.38 -4.80 119.66 113.31 1egr s GLN 61 Ca 0.39 -0.86 0.07 0.00 -2.00 0.00 0.00 55.36 52.96 1egr s GLN 61 Cb -0.04 -0.41 -0.02 0.00 0.80 0.00 0.00 33.01 33.34 1egr s GLN 61 CO 0.30 0.07 -0.22 0.42 -0.50 0.00 0.00 175.29 175.37 1egr s ILE 62 N -1.56 1.72 0.08 -2.34 1.01 -1.26 -0.65 121.20 118.19 1egr s ILE 62 Ca -0.06 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 59.52 1egr s ILE 62 Cb -0.09 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 1egr s ILE 62 CO 0.00 0.35 -0.07 -0.36 0.00 0.00 0.00 174.94 174.87 1egr s PHE 63 N -0.66 0.78 -0.11 3.97 0.08 0.03 -1.64 117.98 120.44 1egr s PHE 63 Ca 0.08 -0.78 -0.03 0.00 0.12 0.00 0.00 56.93 56.32 1egr s PHE 63 Cb -0.09 -0.46 0.04 0.00 -0.57 0.00 0.00 43.02 41.94 1egr s PHE 63 CO 0.01 -0.14 0.05 0.08 -0.10 0.00 0.00 175.22 175.11 1egr s VAL 64 N -2.87 0.11 0.00 -0.44 1.01 -0.35 -0.68 120.40 117.17 1egr s VAL 64 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1egr s VAL 64 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.88 1egr s VAL 64 CO -0.03 -0.00 0.00 0.47 0.00 0.00 0.00 175.10 175.53 1egr n ASP 65 N 5.22 0.00 -2.19 3.32 9.92 0.68 0.67 116.55 134.17 1egr n ASP 65 Ca -0.06 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.04 1egr n ASP 65 Cb 0.49 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 41.01 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 2.99 -4.35 -1.24 1.13 -1.26 -5.00 117.38 109.64 1egr n GLN 66 Ca 0.00 -3.93 -0.18 0.00 -1.94 0.00 0.00 57.00 50.94 1egr n GLN 66 Cb 0.00 -2.05 -0.10 0.00 0.11 0.00 0.00 30.24 28.20 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 -3.60 1.35 0.01 -1.09 -1.52 0.21 -5.15 119.66 109.87 1egr s GLN 67 Ca 0.44 -1.63 0.08 0.00 -1.95 0.00 0.00 55.36 52.30 1egr s GLN 67 Cb 0.38 -1.01 -0.02 0.00 -0.22 0.00 0.00 33.01 32.14 1egr s GLN 67 CO 0.01 0.10 -0.23 -1.58 -0.25 0.00 0.00 175.29 173.35 1egr s HIS 68 N -3.08 2.04 0.00 0.91 5.65 -1.26 -1.21 115.29 118.34 1egr s HIS 68 Ca 0.24 -0.39 0.00 0.00 0.25 0.00 0.00 55.06 55.16 1egr s HIS 68 Cb 0.01 -1.26 0.00 0.00 -1.18 0.00 0.00 32.58 30.15 1egr s HIS 68 CO 0.07 0.04 0.00 -0.89 -0.65 0.00 0.00 174.74 173.31 1egr n ILE 69 N 2.15 0.00 0.00 0.89 2.08 -0.65 -4.93 119.36 118.90 1egr n ILE 69 Ca -0.16 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.15 1egr n ILE 69 Cb 0.52 -0.01 0.00 0.00 -0.75 0.00 0.00 39.64 39.41 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 4.05 0.38 0.00 7.39 0.00 -1.26 -5.00 105.19 110.75 1egr n GLY 70 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.69 0.57 -0.02 0.00 -1.26 -4.83 105.19 100.34 1egr n GLY 71 Ca 0.00 -2.21 -0.04 0.00 0.00 0.00 0.00 46.02 43.77 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 0.51 0.00 -0.39 1.61 9.36 -1.26 -3.90 117.16 123.09 1egr n TYR 72 Ca 0.00 0.00 0.32 0.00 3.32 0.00 0.00 57.90 61.54 1egr n TYR 72 Cb 0.00 -0.23 0.64 0.00 -0.63 0.00 0.00 39.34 39.12 1egr n TYR 72 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1egr h THR 73 N -0.46 0.34 -0.54 2.97 1.03 -1.99 1.55 112.91 115.81 1egr h THR 73 Ca 0.00 -0.06 -0.01 0.00 -0.01 0.00 0.00 66.41 66.33 1egr h THR 73 Cb 0.46 0.15 -0.03 0.00 -1.07 0.00 0.00 68.15 67.66 1egr h THR 73 CO 0.00 0.03 0.29 0.44 -0.01 0.00 0.00 175.52 176.27 1egr h ASP 74 N 0.17 0.67 -0.67 0.00 5.19 -1.88 0.26 116.42 120.16 1egr h ASP 74 Ca 0.68 -0.09 -0.04 0.00 -0.62 0.00 0.00 57.03 56.95 1egr h ASP 74 Cb 2.19 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 41.50 1egr h ASP 74 CO -0.23 0.57 0.25 0.15 -3.12 0.00 0.00 179.24 176.86 1egr h PHE 75 N 0.72 1.04 0.55 4.55 3.57 0.20 0.52 116.94 128.09 1egr h PHE 75 Ca 0.19 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1egr h PHE 75 Cb 0.05 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 38.49 1egr h PHE 75 CO -0.01 0.82 -0.26 0.00 -2.23 0.00 0.00 178.31 176.62 1egr h ALA 76 N 1.11 -0.74 -0.00 2.41 0.00 -0.30 -1.34 119.26 120.40 1egr h ALA 76 Ca 0.22 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1egr h ALA 76 Cb 0.23 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1egr h ALA 76 CO -0.02 -0.85 -0.26 0.00 0.00 0.00 0.00 179.25 178.12 1egr h ALA 77 N -0.48 -0.35 -0.82 0.00 0.00 -0.37 -2.10 119.26 115.14 1egr h ALA 77 Ca -0.08 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1egr h ALA 77 Cb 0.61 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 1egr h ALA 77 CO 0.12 -0.76 -0.34 1.87 0.00 0.00 0.00 179.25 180.14 1egr n TRP 78 N -5.38 -0.02 -0.23 0.00 -0.00 0.18 -0.60 117.44 111.40 1egr n TRP 78 Ca -0.05 1.02 -0.13 0.00 -0.00 0.00 0.00 57.50 58.34 1egr n TRP 78 Cb 0.29 -0.78 -0.10 0.00 -0.00 0.00 0.00 31.31 30.72 1egr n TRP 78 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1egr h VAL 79 N 0.00 0.00 -1.51 5.87 2.07 -0.52 0.15 116.25 122.31 1egr h VAL 79 Ca 0.27 0.00 0.44 0.00 0.82 0.00 0.00 66.70 68.23 1egr h VAL 79 Cb 0.48 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 1egr h VAL 79 CO -0.81 0.00 1.11 0.50 0.02 0.00 0.00 177.57 178.39 1egr h LYS 80 N -0.26 0.00 0.00 1.57 3.11 -0.82 0.77 116.57 120.94 1egr h LYS 80 Ca 0.10 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.80 1egr h LYS 80 Cb 0.53 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.73 1egr h LYS 80 CO -0.70 0.00 -1.70 0.39 -2.81 0.00 0.00 179.45 174.63 1egr n GLU 81 N -4.01 1.64 0.06 1.90 4.71 -0.43 -3.30 120.64 121.21 1egr n GLU 81 Ca 0.33 -0.04 -0.14 0.00 -0.01 0.00 0.00 57.16 57.30 1egr n GLU 81 Cb 1.59 -1.28 -0.14 0.00 -1.01 0.00 0.00 31.44 30.59 1egr n GLU 81 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1egr h ASN 82 N 0.00 0.28 0.00 1.62 2.35 0.05 -3.38 115.58 116.50 1egr h ASN 82 Ca -0.21 -0.39 -0.38 0.00 -0.55 0.00 0.00 56.30 54.78 1egr h ASN 82 Cb 1.34 -0.09 -0.06 0.00 0.05 0.00 0.00 38.32 39.56 1egr h ASN 82 CO 0.01 1.32 -2.33 0.18 -1.65 0.00 0.00 177.43 174.96 1egr n LEU 83 N -3.39 2.38 0.00 1.61 4.77 0.19 -4.95 117.00 117.60 1egr n LEU 83 Ca -0.13 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1egr n LEU 83 Cb 1.03 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1egr n LEU 83 CO 0.49 0.70 0.00 -0.67 -1.33 0.00 0.00 177.39 176.59 1egr n ASP 84 N -3.61 0.00 0.00 -1.43 2.03 -0.82 -5.04 116.55 107.67 1egr n ASP 84 Ca -0.44 0.00 0.00 0.00 0.52 0.00 0.00 54.79 54.87 1egr n ASP 84 Cb 0.89 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.29 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28