#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 3.27 -0.33 0.03 -0.44 -1.26 -3.01 119.66 117.92 1egr s GLN 2 Ca 0.00 -0.27 -0.15 0.00 -2.50 0.00 0.00 55.36 52.44 1egr s GLN 2 Cb 0.00 -4.13 -0.02 0.00 -1.64 0.00 0.00 33.01 27.23 1egr s GLN 2 CO 0.00 -1.83 0.37 0.99 0.50 0.00 0.00 175.29 175.32 1egr s THR 3 N 4.81 5.16 -0.04 -0.34 2.01 0.43 0.33 115.64 128.00 1egr s THR 3 Ca 0.33 0.18 0.06 0.00 0.31 0.00 0.00 61.69 62.56 1egr s THR 3 Cb -0.11 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 1egr s THR 3 CO 0.17 -0.04 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.17 1egr s VAL 4 N 2.05 1.67 -0.19 3.82 1.01 -0.25 -0.34 120.40 128.18 1egr s VAL 4 Ca 0.13 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1egr s VAL 4 Cb -0.16 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1egr s VAL 4 CO 0.11 0.47 -0.04 -0.63 0.00 0.00 0.00 175.10 175.02 1egr s ILE 5 N -0.20 3.65 -0.33 2.22 -1.09 -0.48 -1.53 121.20 123.44 1egr s ILE 5 Ca 0.00 -0.42 -0.11 0.00 -2.23 0.00 0.00 60.65 57.89 1egr s ILE 5 Cb -0.11 -2.63 -0.01 0.00 -1.58 0.00 0.00 42.46 38.14 1egr s ILE 5 CO 0.02 0.45 0.20 -0.36 -1.23 0.00 0.00 174.94 174.01 1egr s PHE 6 N 0.93 3.20 0.00 3.97 0.40 0.95 -1.04 117.98 126.40 1egr s PHE 6 Ca -0.00 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 1egr s PHE 6 Cb -0.15 -2.42 0.00 0.00 0.51 0.00 0.00 43.02 40.97 1egr s PHE 6 CO 0.01 -0.43 0.00 0.41 0.70 0.00 0.00 175.22 175.91 1egr n GLY 7 N 5.04 5.09 2.92 4.36 0.00 -0.98 0.06 105.19 121.67 1egr n GLY 7 Ca -0.13 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 1egr n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1egr s ARG 8 N 2.37 0.17 -0.27 1.61 3.52 -1.26 -3.72 118.95 121.36 1egr s ARG 8 Ca 0.00 -0.16 -0.22 0.00 -0.13 0.00 0.00 55.73 55.22 1egr s ARG 8 Cb 0.00 -0.10 -0.25 0.00 -1.56 0.00 0.00 34.95 33.04 1egr s ARG 8 CO 0.00 0.02 1.49 0.45 -0.81 0.00 0.00 175.30 176.46 1egr n SER 9 N 2.78 0.49 0.00 -2.12 2.88 -1.26 -1.31 113.62 115.09 1egr n SER 9 Ca -0.14 -2.07 0.00 0.00 -1.33 0.00 0.00 58.87 55.33 1egr n SER 9 Cb 0.59 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 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 4.99 1.97 3.24 0.46 0.00 -1.26 -5.04 105.19 109.55 1egr n GLY 10 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 2.73 2.63 -0.00 0.00 -0.04 -1.26 -4.36 135.00 134.70 1egr n PRO 12 Ca -0.16 -1.62 -0.01 0.00 -0.04 0.00 0.00 63.50 61.67 1egr n PRO 12 Cb 0.52 -2.25 -0.00 0.00 -0.04 0.00 0.00 33.50 31.72 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 2.51 0.00 0.01 0.54 4.01 -1.26 -4.63 117.16 118.34 1egr n TYR 13 Ca 0.54 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 58.48 1egr n TYR 13 Cb 0.66 -0.04 0.71 0.00 -0.31 0.00 0.00 39.34 40.36 1egr n TYR 13 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1egr n VAL 15 N -4.28 0.34 -0.07 0.00 0.31 -1.26 -0.15 118.33 113.22 1egr n VAL 15 Ca 0.09 0.64 -0.12 0.00 -0.01 0.00 0.00 64.34 64.95 1egr n VAL 15 Cb 0.61 -1.64 -0.06 0.00 -0.91 0.00 0.00 33.84 31.84 1egr n VAL 15 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1egr n ARG 16 N -1.54 0.35 -0.36 5.55 5.12 -0.51 -4.18 116.66 121.09 1egr n ARG 16 Ca -0.00 0.10 0.03 0.00 -1.93 0.00 0.00 57.85 56.05 1egr n ARG 16 Cb 0.49 -1.23 0.18 0.00 -1.16 0.00 0.00 32.46 30.74 1egr n ARG 16 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1egr h ALA 17 N -0.13 1.40 -1.00 7.54 0.00 -0.80 0.20 119.26 126.47 1egr h ALA 17 Ca -0.34 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.67 1egr h ALA 17 Cb 1.46 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1egr h ALA 17 CO -0.09 0.40 0.63 -0.22 0.00 0.00 0.00 179.25 179.97 1egr h LYS 18 N 1.14 0.98 0.53 0.00 3.64 -0.77 0.44 116.57 122.52 1egr h LYS 18 Ca 0.44 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.73 1egr h LYS 18 Cb 0.21 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1egr h LYS 18 CO -0.19 0.65 -0.25 -0.44 -2.27 0.00 0.00 179.45 176.95 1egr h ASP 19 N 1.01 -0.60 -0.74 4.20 5.19 -0.80 0.20 116.42 124.88 1egr h ASP 19 Ca 0.49 0.02 0.07 0.00 -0.62 0.00 0.00 57.03 56.99 1egr h ASP 19 Cb 0.46 0.16 -0.06 0.00 0.18 0.00 0.00 39.33 40.06 1egr h ASP 19 CO -0.25 -0.31 0.42 0.25 -3.12 0.00 0.00 179.24 176.23 1egr h LEU 20 N -0.95 0.62 -0.07 1.55 5.85 -1.09 0.06 115.31 121.29 1egr h LEU 20 Ca -0.07 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1egr h LEU 20 Cb 0.54 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1egr h LEU 20 CO 0.12 0.39 0.02 0.00 -0.34 0.00 0.00 178.44 178.63 1egr h ALA 21 N 1.39 0.09 -0.70 1.25 0.00 -0.18 -2.56 119.26 118.55 1egr h ALA 21 Ca 0.34 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.28 1egr h ALA 21 Cb 0.23 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 1egr h ALA 21 CO -0.20 -0.29 0.05 1.49 0.00 0.00 0.00 179.25 180.30 1egr h GLU 22 N -0.10 0.14 -0.44 0.00 4.81 0.27 0.19 114.58 119.44 1egr h GLU 22 Ca 0.02 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1egr h GLU 22 Cb 0.24 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.49 1egr h GLU 22 CO 0.00 0.10 -0.26 -0.22 -0.73 0.00 0.00 179.01 177.90 1egr h LYS 23 N 0.15 -0.16 -0.25 1.92 1.63 -0.61 -0.13 116.57 119.12 1egr h LYS 23 Ca 0.38 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 60.16 1egr h LYS 23 Cb 0.66 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.31 1egr h LYS 23 CO -0.58 -0.11 0.03 -0.07 -3.45 0.00 0.00 179.45 175.27 1egr h LEU 24 N -0.17 0.40 -2.32 5.20 3.38 -0.60 -2.72 115.31 118.49 1egr h LEU 24 Ca 0.20 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1egr h LEU 24 Cb 0.49 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1egr h LEU 24 CO -0.55 0.58 0.13 0.77 0.09 0.00 0.00 178.44 179.46 1egr h SER 25 N 0.22 0.00 -0.54 -0.43 4.64 -0.20 -0.19 113.55 117.06 1egr h SER 25 Ca 0.07 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.15 1egr h SER 25 Cb 0.35 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.30 1egr h SER 25 CO 0.01 0.00 0.31 -3.20 -0.87 0.00 0.00 176.83 173.08 1egr n ASN 26 N -3.80 3.52 0.02 4.97 5.15 -0.11 -4.28 115.26 120.73 1egr n ASN 26 Ca -0.00 -2.87 0.00 0.00 -0.60 0.00 0.00 54.58 51.11 1egr n ASN 26 Cb 0.24 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 38.80 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 -0.30 0.00 -1.35 1.20 1.02 -0.09 -5.05 120.64 116.07 1egr n GLU 27 Ca 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1egr n GLU 27 Cb 1.12 -0.20 0.00 0.00 -0.02 0.00 0.00 31.44 32.33 1egr n GLU 27 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1egr n ARG 28 N -2.93 2.35 0.00 3.49 3.00 -1.21 -5.06 116.66 116.30 1egr n ARG 28 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.85 57.91 1egr n ARG 28 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 1egr n ARG 28 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1egr n ASP 29 N -0.83 1.50 -0.01 0.55 5.75 -1.26 -4.29 116.55 117.96 1egr n ASP 29 Ca 0.00 -1.25 0.13 0.00 -0.01 0.00 0.00 54.79 53.66 1egr n ASP 29 Cb 0.00 0.46 0.47 0.00 -1.03 0.00 0.00 41.12 41.03 1egr n ASP 29 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1egr n ASP 30 N -0.16 0.23 -4.06 -1.12 5.75 -1.26 -4.49 116.55 111.44 1egr n ASP 30 Ca 0.06 0.12 -0.34 0.00 -0.01 0.00 0.00 54.79 54.62 1egr n ASP 30 Cb 0.30 -0.17 -0.13 0.00 -1.03 0.00 0.00 41.12 40.09 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 -2.96 3.55 -0.15 2.11 2.19 -1.26 0.24 117.98 121.70 1egr s PHE 31 Ca 0.14 -2.75 -0.02 0.00 0.33 0.00 0.00 56.93 54.63 1egr s PHE 31 Cb 0.18 -3.08 -0.02 0.00 -1.31 0.00 0.00 43.02 38.80 1egr s PHE 31 CO 0.59 -0.91 -0.08 -0.65 1.83 0.00 0.00 175.22 176.00 1egr s GLN 32 N 0.65 3.47 0.03 10.12 -0.21 -1.16 -4.04 119.66 128.51 1egr s GLN 32 Ca 0.12 -0.62 0.08 0.00 0.02 0.00 0.00 55.36 54.95 1egr s GLN 32 Cb -0.22 -2.79 -0.02 0.00 1.00 0.00 0.00 33.01 30.98 1egr s GLN 32 CO -0.05 0.15 -0.22 1.52 -2.12 0.00 0.00 175.29 174.57 1egr s TYR 33 N 0.57 1.96 0.09 0.91 -0.85 -1.26 -0.43 117.35 118.33 1egr s TYR 33 Ca -0.06 -0.38 -0.00 0.00 -0.52 0.00 0.00 57.07 56.11 1egr s TYR 33 Cb -0.15 -1.20 -0.04 0.00 0.38 0.00 0.00 41.96 40.95 1egr s TYR 33 CO 0.03 0.06 -0.01 1.14 -1.52 0.00 0.00 175.55 175.25 1egr s GLN 34 N -0.98 0.75 0.01 -3.49 0.00 0.54 -4.98 119.66 111.53 1egr s GLN 34 Ca 0.09 -1.31 0.08 0.00 -0.00 0.00 0.00 55.36 54.21 1egr s GLN 34 Cb -0.09 0.13 -0.03 0.00 0.00 0.00 0.00 33.01 33.03 1egr s GLN 34 CO 0.01 -0.14 -0.24 -0.47 0.00 0.00 0.00 175.29 174.45 1egr s TYR 35 N -3.90 2.39 0.04 9.60 5.04 -1.26 -1.38 117.35 127.88 1egr s TYR 35 Ca 0.13 -0.38 0.04 0.00 -2.44 0.00 0.00 57.07 54.42 1egr s TYR 35 Cb 0.07 -1.46 -0.02 0.00 0.35 0.00 0.00 41.96 40.90 1egr s TYR 35 CO -0.05 0.09 -0.12 0.08 -1.34 0.00 0.00 175.55 174.21 1egr s VAL 36 N -0.75 0.91 -0.21 3.14 1.01 -0.21 -4.91 120.40 119.38 1egr s VAL 36 Ca 0.12 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1egr s VAL 36 Cb -0.10 -0.86 0.04 0.00 0.00 0.00 0.00 36.38 35.46 1egr s VAL 36 CO 0.01 -0.12 -0.12 -0.62 0.00 0.00 0.00 175.10 174.25 1egr s ASP 37 N -1.26 3.57 0.51 3.32 -1.08 -1.26 -2.31 116.67 118.16 1egr s ASP 37 Ca -0.02 -0.95 0.31 0.00 -0.52 0.00 0.00 52.55 51.37 1egr s ASP 37 Cb -0.08 -1.35 1.43 0.00 -1.46 0.00 0.00 42.92 41.45 1egr s ASP 37 CO 0.01 -0.13 1.83 0.16 0.52 0.00 0.00 175.17 177.56 1egr h ILE 38 N 6.38 0.48 0.00 4.11 3.07 -1.90 -2.35 117.51 127.31 1egr h ILE 38 Ca -0.30 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.08 1egr h ILE 38 Cb 1.09 0.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.02 1egr h ILE 38 CO 0.51 0.02 -0.23 -0.09 -1.05 0.00 0.00 178.15 177.30 1egr h ARG 39 N 0.09 0.00 -0.52 0.16 1.12 -1.85 0.15 114.38 113.52 1egr h ARG 39 Ca 0.53 0.00 0.16 0.00 -1.11 0.00 0.00 59.98 59.55 1egr h ARG 39 Cb 1.91 0.00 -0.10 0.00 -0.01 0.00 0.00 29.97 31.77 1egr h ARG 39 CO -0.07 0.00 0.05 0.00 -3.11 0.00 0.00 179.97 176.84 1egr n ALA 40 N -2.96 0.31 -0.11 2.80 0.00 -1.03 -1.20 120.51 118.33 1egr n ALA 40 Ca -0.03 0.56 -0.19 0.00 0.00 0.00 0.00 53.44 53.78 1egr n ALA 40 Cb 0.12 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 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 -4.55 0.54 0.00 0.00 1.02 -0.91 -5.05 120.64 111.69 1egr n GLU 41 Ca 0.14 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1egr n GLU 41 Cb 0.45 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 1.42 0.71 3.86 0.62 0.00 -0.34 -5.11 105.19 106.36 1egr n GLY 42 Ca -0.31 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 4.74 0.25 -0.61 1.01 0.42 -5.03 121.20 121.98 1egr s ILE 43 Ca 0.00 -1.13 0.10 0.00 0.00 0.00 0.00 60.65 59.63 1egr s ILE 43 Cb 0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1egr s ILE 43 CO 0.00 -0.24 -0.10 0.42 0.00 0.00 0.00 174.94 175.03 1egr s THR 44 N -1.93 3.03 0.29 2.92 -4.23 -1.26 -4.72 115.64 109.74 1egr s THR 44 Ca 0.33 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.86 1egr s THR 44 Cb -0.09 -2.57 0.29 0.00 1.34 0.00 0.00 72.50 71.46 1egr s THR 44 CO 0.26 -0.31 1.79 0.07 -0.54 0.00 0.00 174.62 175.89 1egr h LYS 45 N 2.32 0.79 -0.14 3.99 2.10 -1.99 -2.57 116.57 121.07 1egr h LYS 45 Ca -0.44 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.19 1egr h LYS 45 Cb 1.24 -0.18 -0.04 0.00 -0.90 0.00 0.00 32.23 32.35 1egr h LYS 45 CO 0.58 0.52 -0.34 0.93 -2.00 0.00 0.00 179.45 179.14 1egr h GLU 46 N 0.81 -0.32 -0.90 0.07 3.07 -1.98 0.51 114.58 115.84 1egr h GLU 46 Ca 0.55 0.02 0.25 0.00 -0.50 0.00 0.00 59.36 59.68 1egr h GLU 46 Cb 0.77 0.07 -0.15 0.00 -0.84 0.00 0.00 28.75 28.60 1egr h GLU 46 CO -0.35 -0.21 0.21 0.22 -1.40 0.00 0.00 179.01 177.48 1egr h ASP 47 N -0.33 -0.07 -0.17 1.42 1.82 -1.88 0.26 116.42 117.48 1egr h ASP 47 Ca 0.03 0.21 -0.18 0.00 -0.39 0.00 0.00 57.03 56.71 1egr h ASP 47 Cb 0.41 0.31 0.01 0.00 0.68 0.00 0.00 39.33 40.73 1egr h ASP 47 CO -0.30 -0.21 -0.59 -0.07 -1.61 0.00 0.00 179.24 176.46 1egr h LEU 48 N 0.16 0.80 -1.00 2.28 3.38 -1.25 -2.98 115.31 116.71 1egr h LEU 48 Ca 0.58 -0.61 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1egr h LEU 48 Cb 1.20 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1egr h LEU 48 CO -0.71 1.27 0.64 -0.61 0.09 0.00 0.00 178.44 179.13 1egr h GLN 49 N 0.38 1.14 0.00 1.13 4.15 0.27 0.56 115.11 122.73 1egr h GLN 49 Ca -0.03 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1egr h GLN 49 Cb 1.22 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.65 1egr h GLN 49 CO 0.12 0.75 0.06 1.96 -1.93 0.00 0.00 178.83 179.79 1egr h GLN 50 N 1.17 0.00 0.00 1.69 7.50 -0.47 0.88 115.11 125.88 1egr h GLN 50 Ca 0.43 0.00 -0.31 0.00 0.50 0.00 0.00 58.65 59.27 1egr h GLN 50 Cb 0.17 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.64 1egr h GLN 50 CO -0.17 0.00 -2.16 1.63 -1.50 0.00 0.00 178.83 176.63 1egr n LYS 51 N -2.34 0.71 -0.02 1.46 5.02 0.16 -4.59 118.16 118.56 1egr n LYS 51 Ca -0.02 0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 1egr n LYS 51 Cb 0.09 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 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 0.18 0.54 0.00 7.82 0.00 0.32 -3.46 119.26 124.67 1egr h ALA 52 Ca -0.46 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1egr h ALA 52 Cb 1.78 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1egr h ALA 52 CO -0.05 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1egr n GLY 53 N 0.42 2.69 4.01 0.00 0.00 0.23 -4.87 105.19 107.67 1egr n GLY 53 Ca -0.04 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 1egr n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1egr s LYS 54 N 0.00 2.42 0.77 1.61 -2.85 -1.26 -4.98 119.74 115.46 1egr s LYS 54 Ca 0.00 -1.59 -0.16 0.00 -1.00 0.00 0.00 55.97 53.22 1egr s LYS 54 Cb 0.00 -2.60 -0.05 0.00 -2.06 0.00 0.00 37.83 33.11 1egr s LYS 54 CO 0.00 -0.68 0.26 -2.30 0.10 0.00 0.00 175.35 172.73 1egr n PRO 55 N -2.08 0.13 0.12 1.78 -0.02 -1.26 -4.75 135.00 128.92 1egr n PRO 55 Ca 0.12 0.08 -0.03 0.00 -2.02 0.00 0.00 63.50 61.65 1egr n PRO 55 Cb 0.61 -1.63 0.15 0.00 -0.02 0.00 0.00 33.50 32.61 1egr n PRO 55 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1egr h VAL 56 N -0.61 1.43 0.00 -1.45 -1.51 -1.92 -3.49 116.25 108.70 1egr h VAL 56 Ca -0.44 -2.10 0.00 0.00 -1.23 0.00 0.00 66.70 62.92 1egr h VAL 56 Cb 1.34 2.12 0.00 0.00 -2.13 0.00 0.00 31.29 32.62 1egr h VAL 56 CO 0.39 0.61 0.00 1.21 -1.23 0.00 0.00 177.57 178.54 1egr n GLU 57 N -3.82 0.00 -2.90 5.19 2.13 -1.26 -4.75 120.64 115.24 1egr n GLU 57 Ca -0.02 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.60 1egr n GLU 57 Cb 0.63 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.36 1egr n GLU 57 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1egr s THR 58 N 0.00 3.23 0.19 6.31 -4.23 -1.26 -5.09 115.64 114.79 1egr s THR 58 Ca 0.00 -0.73 -0.04 0.00 -1.18 0.00 0.00 61.69 59.74 1egr s THR 58 Cb 0.00 -3.17 -0.05 0.00 1.34 0.00 0.00 72.50 70.62 1egr s THR 58 CO 0.00 -0.10 0.42 0.68 -0.54 0.00 0.00 174.62 175.08 1egr s VAL 59 N -2.56 5.14 0.30 2.29 -7.23 -1.26 -4.48 120.40 112.60 1egr s VAL 59 Ca 0.53 -0.06 0.03 0.00 -1.81 0.00 0.00 61.98 60.67 1egr s VAL 59 Cb -0.10 -3.68 -0.03 0.00 0.56 0.00 0.00 36.38 33.13 1egr s VAL 59 CO 0.36 -0.10 0.46 -2.16 -0.31 0.00 0.00 175.10 173.36 1egr s PRO 60 N -3.04 3.45 -0.13 4.82 0.04 -1.26 -4.82 135.00 134.06 1egr s PRO 60 Ca 0.41 -0.55 -0.02 0.00 0.04 0.00 0.00 61.00 60.89 1egr s PRO 60 Cb -0.11 -2.77 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 1egr s PRO 60 CO 0.27 0.27 -0.06 -1.14 0.04 0.00 0.00 177.00 176.37 1egr s GLN 61 N -4.17 3.40 -0.08 4.56 2.00 0.11 -3.61 119.66 121.88 1egr s GLN 61 Ca 0.37 -0.55 0.02 0.00 -2.00 0.00 0.00 55.36 53.20 1egr s GLN 61 Cb -0.09 -2.79 -0.03 0.00 0.80 0.00 0.00 33.01 30.90 1egr s GLN 61 CO 0.33 0.34 -0.11 0.42 -0.50 0.00 0.00 175.29 175.77 1egr s ILE 62 N 0.06 3.30 -0.02 -2.34 1.01 0.11 -0.03 121.20 123.30 1egr s ILE 62 Ca -0.01 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.07 1egr s ILE 62 Cb -0.14 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 1egr s ILE 62 CO 0.03 0.58 -0.16 -0.36 0.00 0.00 0.00 174.94 175.03 1egr s PHE 63 N -0.49 1.47 -0.26 3.97 0.08 -0.58 -1.47 117.98 120.71 1egr s PHE 63 Ca 0.07 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 56.83 1egr s PHE 63 Cb -0.12 -0.96 0.07 0.00 -0.57 0.00 0.00 43.02 41.43 1egr s PHE 63 CO 0.02 -0.06 -0.07 0.08 -0.10 0.00 0.00 175.22 175.09 1egr s VAL 64 N -0.26 1.99 0.00 -0.44 1.01 0.78 -1.09 120.40 122.39 1egr s VAL 64 Ca 0.04 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.40 1egr s VAL 64 Cb -0.07 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1egr s VAL 64 CO -0.00 -0.13 0.00 -0.67 0.00 0.00 0.00 175.10 174.30 1egr n ASP 65 N 4.48 0.00 0.00 3.32 2.03 0.15 0.14 116.55 126.67 1egr n ASP 65 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1egr n ASP 65 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1egr n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1egr n GLN 66 N 0.00 0.67 -3.12 -0.67 1.13 -1.26 -4.73 117.38 109.40 1egr n GLN 66 Ca 0.00 -0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.71 1egr n GLN 66 Cb 0.00 -0.06 -0.06 0.00 0.11 0.00 0.00 30.24 30.23 1egr n GLN 66 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1egr s GLN 67 N -0.10 4.15 -0.13 -1.09 0.74 0.12 -5.07 119.66 118.29 1egr s GLN 67 Ca 0.00 0.78 -0.04 0.00 0.05 0.00 0.00 55.36 56.15 1egr s GLN 67 Cb 0.00 -2.71 -0.03 0.00 1.10 0.00 0.00 33.01 31.37 1egr s GLN 67 CO 0.00 0.30 0.02 -1.58 -0.55 0.00 0.00 175.29 173.49 1egr s HIS 68 N -1.70 3.20 -0.21 1.67 5.65 -1.26 -0.15 115.29 122.48 1egr s HIS 68 Ca 0.47 0.10 0.00 0.00 0.25 0.00 0.00 55.06 55.89 1egr s HIS 68 Cb -0.14 -1.91 -0.13 0.00 -1.18 0.00 0.00 32.58 29.22 1egr s HIS 68 CO 0.20 0.32 -0.20 -0.89 -0.65 0.00 0.00 174.74 173.52 1egr n ILE 69 N 2.74 1.22 0.00 0.89 2.08 -0.54 -4.96 119.36 120.79 1egr n ILE 69 Ca -0.18 -0.45 0.00 0.00 0.56 0.00 0.00 62.75 62.68 1egr n ILE 69 Cb 0.53 -1.31 0.00 0.00 -0.75 0.00 0.00 39.64 38.11 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 2.39 0.77 0.00 7.39 0.00 -1.21 -4.88 105.19 109.65 1egr n GLY 70 Ca -0.38 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 4.33 3.37 -0.02 0.00 -1.25 0.08 105.19 111.69 1egr n GLY 71 Ca 0.00 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 1egr n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1egr s TYR 72 N -1.36 -0.04 0.00 1.61 5.04 -1.24 -2.00 117.35 119.36 1egr s TYR 72 Ca 0.00 0.72 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 1egr s TYR 72 Cb 0.00 -2.98 0.00 0.00 0.35 0.00 0.00 41.96 39.33 1egr s TYR 72 CO 0.00 -4.65 0.00 2.41 -1.34 0.00 0.00 175.55 171.97 1egr n THR 73 N -5.41 0.00 -0.15 4.34 -1.04 -1.26 -4.15 114.28 106.61 1egr n THR 73 Ca 0.10 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.00 1egr n THR 73 Cb 0.59 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.08 1egr n THR 73 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1egr h ASP 74 N 0.00 0.87 -0.91 8.00 3.32 -1.95 -2.83 116.42 122.93 1egr h ASP 74 Ca 0.00 -0.38 0.18 0.00 0.02 0.00 0.00 57.03 56.86 1egr h ASP 74 Cb 0.00 -0.24 -0.17 0.00 0.22 0.00 0.00 39.33 39.14 1egr h ASP 74 CO 0.00 1.05 -0.22 0.15 -1.72 0.00 0.00 179.24 178.51 1egr h PHE 75 N 0.69 -0.46 -0.27 4.55 3.57 -1.56 0.42 116.94 123.88 1egr h PHE 75 Ca 0.11 0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.74 1egr h PHE 75 Cb 0.69 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 1egr h PHE 75 CO 0.05 -0.39 -0.04 0.00 -2.23 0.00 0.00 178.31 175.71 1egr h ALA 76 N 1.91 0.20 0.28 2.41 0.00 -1.81 0.21 119.26 122.46 1egr h ALA 76 Ca 0.44 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 1egr h ALA 76 Cb 0.68 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1egr h ALA 76 CO -0.93 -0.45 -0.21 0.00 0.00 0.00 0.00 179.25 177.66 1egr h ALA 77 N 1.25 -0.48 -0.30 0.00 0.00 -0.39 -2.13 119.26 117.21 1egr h ALA 77 Ca 0.13 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1egr h ALA 77 Cb 0.18 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1egr h ALA 77 CO -0.25 -0.79 -0.27 2.35 0.00 0.00 0.00 179.25 180.30 1egr h TRP 78 N -0.50 -0.71 -0.67 0.00 7.01 0.15 -1.80 115.95 119.43 1egr h TRP 78 Ca -0.02 0.04 0.10 0.00 2.11 0.00 0.00 58.89 61.12 1egr h TRP 78 Cb 0.44 0.36 -0.11 0.00 -2.10 0.00 0.00 29.16 27.74 1egr h TRP 78 CO -0.12 -0.34 -0.44 0.28 -2.79 0.00 0.00 178.44 175.02 1egr h VAL 79 N -0.24 0.07 -0.59 2.65 2.07 -0.29 0.92 116.25 120.84 1egr h VAL 79 Ca 0.15 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.84 1egr h VAL 79 Cb 0.49 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1egr h VAL 79 CO -0.44 0.00 0.89 0.50 0.02 0.00 0.00 177.57 178.53 1egr h LYS 80 N -0.18 0.00 0.00 1.57 3.11 -0.65 0.16 116.57 120.58 1egr h LYS 80 Ca 0.20 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.04 1egr h LYS 80 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 1egr h LYS 80 CO -0.75 0.00 0.00 -0.85 -2.81 0.00 0.00 179.45 175.04 1egr n GLU 81 N -3.20 1.39 0.00 1.90 0.28 0.27 -4.18 120.64 117.10 1egr n GLU 81 Ca 0.12 -1.07 0.00 0.00 -0.16 0.00 0.00 57.16 56.05 1egr n GLU 81 Cb 1.08 -0.97 0.00 0.00 1.43 0.00 0.00 31.44 32.98 1egr n GLU 81 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1egr n ASN 82 N -0.29 4.94 -1.02 -1.84 3.02 -0.09 -4.75 115.26 115.23 1egr n ASN 82 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.59 1egr n ASN 82 Cb 0.17 0.71 0.08 0.00 -0.61 0.00 0.00 39.78 40.12 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 -1.77 1.46 -1.86 3.41 4.77 0.37 -4.79 117.00 118.58 1egr n LEU 83 Ca 0.00 -2.49 -0.17 0.00 -0.03 0.00 0.00 56.01 53.32 1egr n LEU 83 Cb 0.28 -0.18 0.12 0.00 -2.33 0.00 0.00 43.42 41.32 1egr n LEU 83 CO 0.00 0.74 1.05 -0.90 -1.33 0.00 0.00 177.39 176.95 1egr n ASP 84 N -0.16 3.55 0.00 -1.43 5.75 -1.22 -4.91 116.55 118.13 1egr n ASP 84 Ca 0.10 -3.12 0.00 0.00 -0.01 0.00 0.00 54.79 51.76 1egr n ASP 84 Cb 0.93 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09