#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 2.67 -0.05 0.03 0.74 -1.26 -0.86 119.66 120.93 1egr s GLN 2 Ca 0.00 -1.32 -0.16 0.00 0.05 0.00 0.00 55.36 53.94 1egr s GLN 2 Cb 0.00 -3.72 -0.05 0.00 1.10 0.00 0.00 33.01 30.33 1egr s GLN 2 CO 0.00 -0.84 0.42 0.99 -0.55 0.00 0.00 175.29 175.30 1egr s THR 3 N 1.46 5.10 -0.10 -0.34 2.01 -0.28 -0.78 115.64 122.70 1egr s THR 3 Ca 0.02 0.85 0.03 0.00 0.31 0.00 0.00 61.69 62.90 1egr s THR 3 Cb -0.21 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.57 1egr s THR 3 CO 0.03 0.49 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.56 1egr s VAL 4 N -0.44 1.78 -0.09 3.82 1.01 0.23 0.26 120.40 126.98 1egr s VAL 4 Ca 0.24 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1egr s VAL 4 Cb -0.16 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1egr s VAL 4 CO 0.12 0.50 -0.08 -0.63 0.00 0.00 0.00 175.10 175.00 1egr s ILE 5 N 0.58 3.55 -0.32 2.22 1.09 -0.52 -0.53 121.20 127.25 1egr s ILE 5 Ca -0.14 -0.52 -0.07 0.00 -1.10 0.00 0.00 60.65 58.81 1egr s ILE 5 Cb -0.17 -2.47 0.02 0.00 -1.06 0.00 0.00 42.46 38.79 1egr s ILE 5 CO 0.05 0.57 0.11 -0.36 -0.10 0.00 0.00 174.94 175.21 1egr s PHE 6 N -0.45 3.20 0.00 3.97 0.08 0.02 -0.19 117.98 124.61 1egr s PHE 6 Ca 0.06 -1.14 0.00 0.00 0.12 0.00 0.00 56.93 55.98 1egr s PHE 6 Cb -0.12 -2.29 0.00 0.00 -0.57 0.00 0.00 43.02 40.04 1egr s PHE 6 CO 0.02 -0.64 0.00 0.41 -0.10 0.00 0.00 175.22 174.91 1egr n GLY 7 N 4.87 3.64 0.00 4.36 0.00 -0.41 -2.98 105.19 114.66 1egr n GLY 7 Ca -0.13 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.33 3.16 -0.40 1.61 0.63 -1.26 -3.77 116.66 116.30 1egr n ARG 8 Ca 0.00 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.66 1egr n ARG 8 Cb 0.00 0.00 0.24 0.00 0.45 0.00 0.00 32.46 33.15 1egr n ARG 8 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1egr n SER 9 N 0.00 -3.24 -3.58 6.15 3.41 -1.26 -4.77 113.62 110.34 1egr n SER 9 Ca 0.00 -0.54 -0.40 0.00 -0.26 0.00 0.00 58.87 57.67 1egr n SER 9 Cb 0.00 -0.99 -0.02 0.00 -0.26 0.00 0.00 64.21 62.94 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 3.85 3.24 5.00 0.00 -1.26 -4.83 105.19 113.08 1egr n GLY 10 Ca 0.08 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.47 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 0.78 1.58 0.00 0.00 -0.04 -1.26 -4.55 135.00 131.51 1egr n PRO 12 Ca -0.17 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.60 1egr n PRO 12 Cb 0.56 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 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 6.60 0.00 0.32 0.54 9.36 -1.26 -4.70 117.16 128.02 1egr n TYR 13 Ca 0.47 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.84 1egr n TYR 13 Cb 0.32 0.00 0.76 0.00 -0.63 0.00 0.00 39.34 39.80 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 0.32 -1.21 0.00 2.07 -1.84 0.13 116.25 115.72 1egr h VAL 15 Ca 0.02 -0.04 0.37 0.00 0.82 0.00 0.00 66.70 67.86 1egr h VAL 15 Cb 0.79 0.18 -0.11 0.00 -1.52 0.00 0.00 31.29 30.63 1egr h VAL 15 CO -0.00 0.02 0.79 -0.09 0.02 0.00 0.00 177.57 178.31 1egr h ARG 16 N 0.12 0.19 -0.40 1.57 9.65 -1.29 1.62 114.38 125.84 1egr h ARG 16 Ca 0.68 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 59.48 1egr h ARG 16 Cb 2.34 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 30.86 1egr h ARG 16 CO -0.18 0.13 -0.01 0.00 2.80 0.00 0.00 179.97 182.70 1egr h ALA 17 N 1.60 0.54 -0.54 2.80 0.00 -0.99 0.26 119.26 122.93 1egr h ALA 17 Ca 0.73 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.41 1egr h ALA 17 Cb 2.17 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.77 1egr h ALA 17 CO -0.35 0.33 0.29 -0.22 0.00 0.00 0.00 179.25 179.30 1egr h LYS 18 N 0.54 0.56 0.80 0.00 3.11 0.21 0.29 116.57 122.08 1egr h LYS 18 Ca 0.11 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.88 1egr h LYS 18 Cb 0.50 -0.13 0.01 0.00 -1.00 0.00 0.00 32.23 31.61 1egr h LYS 18 CO 0.02 0.37 -0.38 -0.44 -2.81 0.00 0.00 179.45 176.21 1egr h ASP 19 N 0.57 -0.91 -0.36 4.20 3.32 -0.16 0.60 116.42 123.68 1egr h ASP 19 Ca 0.23 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.38 1egr h ASP 19 Cb 0.10 0.23 -0.09 0.00 0.22 0.00 0.00 39.33 39.80 1egr h ASP 19 CO -0.14 -0.58 -0.35 0.25 -1.72 0.00 0.00 179.24 176.70 1egr h LEU 20 N -1.21 -1.17 -0.17 1.55 5.85 -0.35 -1.19 115.31 118.62 1egr h LEU 20 Ca -0.11 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1egr h LEU 20 Cb 0.82 0.53 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1egr h LEU 20 CO 0.18 -0.34 0.11 0.00 -0.34 0.00 0.00 178.44 178.04 1egr h ALA 21 N 0.61 0.21 -0.73 1.25 0.00 -0.41 -2.72 119.26 117.46 1egr h ALA 21 Ca 0.15 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.19 1egr h ALA 21 Cb 0.56 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.14 1egr h ALA 21 CO -0.52 -0.30 -0.16 1.49 0.00 0.00 0.00 179.25 179.76 1egr h GLU 22 N 0.22 0.01 -0.01 0.00 4.81 0.13 0.37 114.58 120.10 1egr h GLU 22 Ca 0.06 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1egr h GLU 22 Cb -0.01 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 1egr h GLU 22 CO -0.01 0.01 -0.37 -0.22 -0.73 0.00 0.00 179.01 177.69 1egr h LYS 23 N 0.01 -0.50 -0.44 1.92 1.63 -0.96 0.48 116.57 118.71 1egr h LYS 23 Ca 0.36 0.03 0.08 0.00 -0.85 0.00 0.00 60.65 60.27 1egr h LYS 23 Cb 0.56 0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 32.23 1egr h LYS 23 CO -0.75 -0.33 -0.01 -0.07 -3.45 0.00 0.00 179.45 174.84 1egr h LEU 24 N -0.51 -0.20 -1.13 5.20 3.38 -1.16 0.45 115.31 121.32 1egr h LEU 24 Ca 0.06 0.11 0.29 0.00 0.09 0.00 0.00 57.88 58.42 1egr h LEU 24 Cb 0.60 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.42 1egr h LEU 24 CO -0.30 -0.06 0.63 -1.28 0.09 0.00 0.00 178.44 177.52 1egr h SER 25 N 0.10 0.54 -0.96 -0.43 0.87 0.13 0.13 113.55 113.93 1egr h SER 25 Ca 0.22 0.14 -0.57 0.00 -1.23 0.00 0.00 61.79 60.34 1egr h SER 25 Cb 0.32 0.06 -0.41 0.00 -0.44 0.00 0.00 62.40 61.93 1egr h SER 25 CO -0.37 0.02 -0.61 -3.20 -0.53 0.00 0.00 176.83 172.14 1egr n ASN 26 N -4.84 5.19 0.03 6.23 4.05 0.15 -3.62 115.26 122.45 1egr n ASN 26 Ca 0.29 -3.75 -0.01 0.00 0.45 0.00 0.00 54.58 51.55 1egr n ASN 26 Cb 0.90 -0.44 -0.00 0.00 1.23 0.00 0.00 39.78 41.46 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 -0.68 0.07 -0.11 1.20 2.13 0.12 -4.74 120.64 118.63 1egr n GLU 27 Ca 0.45 0.03 0.07 0.00 0.66 0.00 0.00 57.16 58.36 1egr n GLU 27 Cb 0.86 -0.63 0.12 0.00 0.27 0.00 0.00 31.44 32.06 1egr n GLU 27 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1egr n ARG 28 N -3.61 2.13 -3.78 5.31 3.00 -1.16 -4.95 116.66 113.59 1egr n ARG 28 Ca -0.02 -2.27 -0.25 0.00 -0.01 0.00 0.00 57.85 55.30 1egr n ARG 28 Cb 0.09 -1.39 -0.07 0.00 0.00 0.00 0.00 32.46 31.09 1egr n ARG 28 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1egr n ASP 29 N -0.88 0.13 0.00 0.55 9.92 -1.24 -4.76 116.55 120.27 1egr n ASP 29 Ca 0.12 -0.92 0.00 0.00 -0.53 0.00 0.00 54.79 53.46 1egr n ASP 29 Cb 0.55 -1.15 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 1egr n ASP 29 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1egr n ASP 30 N -1.88 1.56 -4.06 -2.24 5.75 -1.26 -5.03 116.55 109.39 1egr n ASP 30 Ca -0.15 -1.76 -0.15 0.00 -0.01 0.00 0.00 54.79 52.72 1egr n ASP 30 Cb 0.46 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.42 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 -0.76 0.74 0.06 2.11 5.36 -1.26 -3.59 117.98 120.63 1egr s PHE 31 Ca 0.00 -0.41 0.03 0.00 -0.96 0.00 0.00 56.93 55.59 1egr s PHE 31 Cb 0.00 -0.45 -0.03 0.00 -0.34 0.00 0.00 43.02 42.21 1egr s PHE 31 CO 0.00 -0.04 -0.08 -0.65 -1.46 0.00 0.00 175.22 172.98 1egr s GLN 32 N -1.28 0.61 0.04 10.12 -0.21 -0.04 -4.21 119.66 124.69 1egr s GLN 32 Ca -0.06 -0.87 -0.00 0.00 0.02 0.00 0.00 55.36 54.45 1egr s GLN 32 Cb -0.08 -0.35 -0.03 0.00 1.00 0.00 0.00 33.01 33.54 1egr s GLN 32 CO 0.01 0.06 -0.04 1.52 -2.12 0.00 0.00 175.29 174.72 1egr s TYR 33 N -1.70 0.48 -0.01 0.91 1.13 -1.26 -1.13 117.35 115.77 1egr s TYR 33 Ca -0.06 -0.83 0.01 0.00 -1.41 0.00 0.00 57.07 54.79 1egr s TYR 33 Cb -0.08 -0.34 -0.00 0.00 -1.10 0.00 0.00 41.96 40.45 1egr s TYR 33 CO -0.00 -0.27 -0.05 -1.14 -2.51 0.00 0.00 175.55 171.58 1egr s GLN 34 N -2.92 0.45 -0.10 -3.49 2.00 0.14 -4.87 119.66 110.86 1egr s GLN 34 Ca -0.01 -0.16 0.01 0.00 -2.00 0.00 0.00 55.36 53.19 1egr s GLN 34 Cb 0.00 -0.45 -0.02 0.00 0.80 0.00 0.00 33.01 33.35 1egr s GLN 34 CO -0.06 0.08 -0.13 -0.47 -0.50 0.00 0.00 175.29 174.21 1egr s TYR 35 N 0.03 2.78 0.28 1.67 5.04 -1.26 -1.44 117.35 124.44 1egr s TYR 35 Ca 0.00 -0.48 0.04 0.00 -2.44 0.00 0.00 57.07 54.19 1egr s TYR 35 Cb -0.04 -1.77 -0.06 0.00 0.35 0.00 0.00 41.96 40.44 1egr s TYR 35 CO -0.00 -0.08 0.02 0.08 -1.34 0.00 0.00 175.55 174.23 1egr s VAL 36 N -0.01 1.11 -0.12 3.14 1.01 0.73 -4.93 120.40 121.33 1egr s VAL 36 Ca -0.04 -2.03 0.02 0.00 0.00 0.00 0.00 61.98 59.94 1egr s VAL 36 Cb -0.14 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 1egr s VAL 36 CO 0.04 -0.16 -0.20 -0.62 0.00 0.00 0.00 175.10 174.16 1egr s ASP 37 N -3.39 3.33 0.46 3.32 -1.08 -1.26 -1.29 116.67 116.75 1egr s ASP 37 Ca 0.33 -0.52 0.31 0.00 -0.52 0.00 0.00 52.55 52.15 1egr s ASP 37 Cb 0.07 -1.47 1.42 0.00 -1.46 0.00 0.00 42.92 41.48 1egr s ASP 37 CO 0.12 0.13 1.67 0.16 0.52 0.00 0.00 175.17 177.77 1egr h ILE 38 N 5.68 0.21 0.14 4.11 3.07 -1.90 0.65 117.51 129.46 1egr h ILE 38 Ca -0.25 -0.04 -0.01 0.00 1.55 0.00 0.00 64.86 66.11 1egr h ILE 38 Cb 1.22 0.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.85 1egr h ILE 38 CO 0.52 0.02 -0.07 -0.09 -1.05 0.00 0.00 178.15 177.48 1egr h ARG 39 N 0.12 -0.18 -0.83 0.16 2.43 -1.90 0.22 114.38 114.41 1egr h ARG 39 Ca 0.76 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 60.07 1egr h ARG 39 Cb 2.50 0.04 -0.13 0.00 -0.42 0.00 0.00 29.97 31.97 1egr h ARG 39 CO -0.29 0.25 -0.35 0.00 -1.51 0.00 0.00 179.97 178.06 1egr n ALA 40 N -2.61 -0.17 0.00 2.80 0.00 0.20 -0.27 120.51 120.46 1egr n ALA 40 Ca -0.07 0.80 -0.18 0.00 0.00 0.00 0.00 53.44 53.99 1egr n ALA 40 Cb 0.25 -0.33 -0.09 0.00 0.00 0.00 0.00 19.45 19.29 1egr n ALA 40 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1egr h GLU 41 N 0.00 0.65 0.00 0.00 5.08 -1.62 -3.48 114.58 115.20 1egr h GLU 41 Ca 0.26 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1egr h GLU 41 Cb 0.47 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1egr h GLU 41 CO -0.81 1.21 0.00 0.41 -1.00 0.00 0.00 179.01 178.82 1egr n GLY 42 N 0.88 0.78 3.93 -3.84 0.00 0.63 -5.12 105.19 102.46 1egr n GLY 42 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.15 5.31 -0.02 -0.61 1.01 0.72 -5.02 121.20 121.44 1egr s ILE 43 Ca 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.24 1egr s ILE 43 Cb 0.00 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1egr s ILE 43 CO 0.00 -0.03 -0.19 0.42 0.00 0.00 0.00 174.94 175.14 1egr s THR 44 N -1.69 2.64 0.22 2.92 -4.23 -1.26 -4.67 115.64 109.56 1egr s THR 44 Ca 0.36 -0.98 -0.14 0.00 -1.18 0.00 0.00 61.69 59.76 1egr s THR 44 Cb -0.12 -2.02 0.26 0.00 1.34 0.00 0.00 72.50 71.97 1egr s THR 44 CO 0.28 0.52 1.60 0.07 -0.54 0.00 0.00 174.62 176.55 1egr h LYS 45 N 5.19 -0.03 -0.61 3.99 2.10 -1.93 0.23 116.57 125.51 1egr h LYS 45 Ca -0.46 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.32 1egr h LYS 45 Cb 1.14 0.01 -0.09 0.00 -0.90 0.00 0.00 32.23 32.39 1egr h LYS 45 CO 0.48 -0.02 0.09 0.93 -2.00 0.00 0.00 179.45 178.93 1egr h GLU 46 N -0.04 0.20 0.09 0.07 3.07 -1.96 0.46 114.58 116.47 1egr h GLU 46 Ca 0.33 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.20 1egr h GLU 46 Cb 0.55 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.37 1egr h GLU 46 CO -0.76 0.13 -0.32 0.22 -1.40 0.00 0.00 179.01 176.89 1egr h ASP 47 N 0.21 -0.93 -0.28 1.42 1.82 -0.98 0.28 116.42 117.95 1egr h ASP 47 Ca 0.32 0.11 0.06 0.00 -0.39 0.00 0.00 57.03 57.13 1egr h ASP 47 Cb 0.50 0.36 -0.06 0.00 0.68 0.00 0.00 39.33 40.80 1egr h ASP 47 CO -0.45 -0.40 -0.13 -0.07 -1.61 0.00 0.00 179.24 176.59 1egr h LEU 48 N -0.53 -0.43 -0.58 2.28 3.38 -0.48 0.43 115.31 119.39 1egr h LEU 48 Ca 0.04 0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.23 1egr h LEU 48 Cb 0.57 0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.46 1egr h LEU 48 CO -0.21 -0.16 -0.08 1.56 0.09 0.00 0.00 178.44 179.64 1egr h GLN 49 N -0.08 0.05 0.50 1.13 4.20 0.40 0.51 115.11 121.81 1egr h GLN 49 Ca 0.14 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1egr h GLN 49 Cb 0.30 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1egr h GLN 49 CO -0.33 0.03 -0.24 0.37 -0.67 0.00 0.00 178.83 177.99 1egr h GLN 50 N 0.05 -0.64 -0.47 1.46 4.15 0.13 -2.50 115.11 117.28 1egr h GLN 50 Ca 0.29 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.83 1egr h GLN 50 Cb 0.45 0.15 -0.07 0.00 0.21 0.00 0.00 27.48 28.22 1egr h GLN 50 CO -0.55 -0.35 0.09 0.87 -1.93 0.00 0.00 178.83 176.95 1egr h LYS 51 N -0.85 0.21 0.31 1.69 1.57 0.31 -3.03 116.57 116.78 1egr h LYS 51 Ca -0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1egr h LYS 51 Cb 0.58 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1egr h LYS 51 CO 0.11 0.14 -0.32 0.00 -0.57 0.00 0.00 179.45 178.81 1egr h ALA 52 N 1.37 -0.68 0.00 3.86 0.00 0.02 -3.47 119.26 120.36 1egr h ALA 52 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1egr h ALA 52 Cb 0.31 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1egr h ALA 52 CO -0.31 -0.92 0.00 0.41 0.00 0.00 0.00 179.25 178.43 1egr n GLY 53 N -1.43 2.23 3.74 0.00 0.00 -0.95 -4.93 105.19 103.84 1egr n GLY 53 Ca -0.09 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 2.89 -0.88 1.61 -2.85 -1.26 -5.01 119.74 114.23 1egr s LYS 54 Ca 0.00 -0.60 -0.25 0.00 -1.00 0.00 0.00 55.97 54.12 1egr s LYS 54 Cb 0.00 -2.74 -0.07 0.00 -2.06 0.00 0.00 37.83 32.96 1egr s LYS 54 CO 0.00 0.62 2.07 -1.25 0.10 0.00 0.00 175.35 176.88 1egr s PRO 55 N -1.84 2.30 0.48 1.78 0.04 -1.26 -4.83 135.00 131.67 1egr s PRO 55 Ca 0.23 -0.10 0.06 0.00 0.04 0.00 0.00 61.00 61.23 1egr s PRO 55 Cb -0.12 -4.99 0.08 0.00 0.04 0.00 0.00 34.50 29.51 1egr s PRO 55 CO 0.14 -3.68 0.66 1.33 0.04 0.00 0.00 177.00 175.50 1egr n VAL 56 N 8.12 0.00 -0.00 -0.36 0.24 -1.26 -5.09 118.33 119.98 1egr n VAL 56 Ca 0.42 -1.47 -0.01 0.00 -2.04 0.00 0.00 64.34 61.25 1egr n VAL 56 Cb 0.46 -0.70 -0.00 0.00 -1.47 0.00 0.00 33.84 32.13 1egr n VAL 56 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1egr n GLU 57 N -2.09 0.03 0.14 7.34 4.07 -1.26 -4.88 120.64 124.00 1egr n GLU 57 Ca 0.13 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 1egr n GLU 57 Cb 0.47 -0.34 0.00 0.00 -0.06 0.00 0.00 31.44 31.51 1egr n GLU 57 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1egr n THR 58 N -2.69 0.00 -4.47 6.31 -2.24 -1.26 -4.72 114.28 105.21 1egr n THR 58 Ca -0.01 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.52 1egr n THR 58 Cb 0.03 -0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.82 0.44 0.28 2.28 -7.23 -1.26 -4.51 120.40 108.59 1egr s VAL 59 Ca 0.00 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 1egr s VAL 59 Cb 0.00 -2.35 -0.10 0.00 0.56 0.00 0.00 36.38 34.49 1egr s VAL 59 CO 0.00 0.00 1.24 -2.16 -0.31 0.00 0.00 175.10 173.87 1egr s PRO 60 N -3.64 4.45 -0.11 4.82 0.04 -1.26 -5.06 135.00 134.24 1egr s PRO 60 Ca 0.26 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.36 1egr s PRO 60 Cb 0.02 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.43 1egr s PRO 60 CO 0.17 -0.08 -0.15 -0.65 0.04 0.00 0.00 177.00 176.33 1egr s GLN 61 N -1.20 2.18 0.00 4.56 -1.52 -1.16 -3.87 119.66 118.65 1egr s GLN 61 Ca 0.50 -0.55 0.07 0.00 -1.95 0.00 0.00 55.36 53.44 1egr s GLN 61 Cb -0.36 -1.86 -0.02 0.00 -0.22 0.00 0.00 33.01 30.55 1egr s GLN 61 CO 0.45 -0.07 -0.23 0.42 -0.25 0.00 0.00 175.29 175.62 1egr s ILE 62 N 1.00 1.82 0.23 1.08 1.09 0.78 -0.80 121.20 126.39 1egr s ILE 62 Ca -0.06 -1.06 0.06 0.00 -1.10 0.00 0.00 60.65 58.48 1egr s ILE 62 Cb -0.15 -1.53 -0.05 0.00 -1.06 0.00 0.00 42.46 39.67 1egr s ILE 62 CO -0.02 0.44 -0.07 -0.36 -0.10 0.00 0.00 174.94 174.83 1egr s PHE 63 N -0.61 1.70 -0.04 3.97 0.40 0.31 -1.59 117.98 122.10 1egr s PHE 63 Ca 0.09 -0.73 -0.01 0.00 -0.60 0.00 0.00 56.93 55.69 1egr s PHE 63 Cb -0.09 -0.91 0.03 0.00 0.51 0.00 0.00 43.02 42.56 1egr s PHE 63 CO -0.00 0.20 0.02 0.08 0.70 0.00 0.00 175.22 176.22 1egr s VAL 64 N -3.14 0.13 0.00 -0.44 1.01 -0.11 -0.60 120.40 117.25 1egr s VAL 64 Ca 0.26 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1egr s VAL 64 Cb 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.12 1egr s VAL 64 CO 0.08 0.18 0.00 0.47 0.00 0.00 0.00 175.10 175.83 1egr n ASP 65 N 4.76 0.00 -0.85 3.32 9.92 0.04 0.33 116.55 134.07 1egr n ASP 65 Ca -0.14 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.17 1egr n ASP 65 Cb 0.50 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 41.09 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 0.78 -4.38 -1.24 10.64 -1.26 -5.05 117.38 116.88 1egr n GLN 66 Ca 0.00 -2.47 -0.19 0.00 -1.83 0.00 0.00 57.00 52.52 1egr n GLN 66 Cb 0.00 -0.88 -0.10 0.00 -0.86 0.00 0.00 30.24 28.39 1egr n GLN 66 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1egr s GLN 67 N -1.63 1.49 0.03 2.61 -0.21 0.15 -5.16 119.66 116.94 1egr s GLN 67 Ca 0.31 -1.80 0.07 0.00 0.02 0.00 0.00 55.36 53.96 1egr s GLN 67 Cb 0.32 -0.64 -0.03 0.00 1.00 0.00 0.00 33.01 33.67 1egr s GLN 67 CO -0.09 -0.19 -0.19 -1.58 -2.12 0.00 0.00 175.29 171.13 1egr s HIS 68 N -3.45 2.53 -0.07 0.91 5.65 -1.26 -0.93 115.29 118.67 1egr s HIS 68 Ca 0.34 -0.28 -0.06 0.00 0.25 0.00 0.00 55.06 55.32 1egr s HIS 68 Cb 0.07 -1.47 -0.04 0.00 -1.18 0.00 0.00 32.58 29.97 1egr s HIS 68 CO 0.13 0.22 -0.14 -0.89 -0.65 0.00 0.00 174.74 173.41 1egr n ILE 69 N 1.69 0.90 0.00 0.89 2.08 -0.62 -4.90 119.36 119.39 1egr n ILE 69 Ca -0.16 0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.19 1egr n ILE 69 Cb 0.52 -1.74 0.00 0.00 -0.75 0.00 0.00 39.64 37.67 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 2.49 0.35 0.71 7.39 0.00 -1.14 -4.80 105.19 110.19 1egr n GLY 70 Ca -0.15 -0.74 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 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 3.22 0.33 -0.02 0.00 -1.25 -0.16 105.19 107.31 1egr n GLY 71 Ca 0.00 -2.20 0.22 0.00 0.00 0.00 0.00 46.02 44.04 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 0.63 0.86 0.32 1.61 3.20 -1.97 0.22 116.97 121.84 1egr h TYR 72 Ca -0.07 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1egr h TYR 72 Cb 0.24 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1egr h TYR 72 CO 0.00 -0.17 -0.31 1.79 -1.64 0.00 0.00 178.16 177.83 1egr h THR 73 N 0.32 0.00 -0.55 1.81 1.35 -1.95 0.40 112.91 114.29 1egr h THR 73 Ca 0.71 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.65 1egr h THR 73 Cb 1.58 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.93 1egr h THR 73 CO -0.61 0.00 0.17 0.44 -0.25 0.00 0.00 175.52 175.27 1egr h ASP 74 N -0.63 0.14 0.05 5.36 5.19 -1.47 -1.88 116.42 123.17 1egr h ASP 74 Ca -0.04 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1egr h ASP 74 Cb 0.54 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1egr h ASP 74 CO -0.03 0.10 -0.02 0.15 -3.12 0.00 0.00 179.24 176.31 1egr h PHE 75 N 0.34 -0.06 0.03 4.55 3.57 -0.44 0.49 116.94 125.42 1egr h PHE 75 Ca 0.28 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.80 1egr h PHE 75 Cb 0.34 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 1egr h PHE 75 CO -0.19 0.02 -0.40 0.00 -2.23 0.00 0.00 178.31 175.51 1egr h ALA 76 N 0.82 -0.66 0.62 2.41 0.00 0.39 0.26 119.26 123.11 1egr h ALA 76 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1egr h ALA 76 Cb 0.11 0.71 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1egr h ALA 76 CO 0.01 -0.94 -0.30 0.00 0.00 0.00 0.00 179.25 178.02 1egr h ALA 77 N -0.02 -0.83 -0.88 0.00 0.00 -1.26 0.39 119.26 116.65 1egr h ALA 77 Ca 0.04 -0.18 0.22 0.00 0.00 0.00 0.00 54.91 54.99 1egr h ALA 77 Cb 0.65 0.32 -0.16 0.00 0.00 0.00 0.00 17.79 18.60 1egr h ALA 77 CO -0.29 -0.96 0.03 2.35 0.00 0.00 0.00 179.25 180.38 1egr h TRP 78 N -0.85 -0.02 0.24 0.00 7.01 0.28 0.71 115.95 123.32 1egr h TRP 78 Ca -0.09 0.06 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 1egr h TRP 78 Cb 0.64 0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.86 1egr h TRP 78 CO -0.03 -0.33 -0.12 0.28 -2.79 0.00 0.00 178.44 175.46 1egr h VAL 79 N 0.07 0.00 -1.23 2.65 2.07 -0.09 -2.80 116.25 116.92 1egr h VAL 79 Ca 0.51 -0.04 0.37 0.00 0.82 0.00 0.00 66.70 68.36 1egr h VAL 79 Cb 0.99 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.66 1egr h VAL 79 CO -0.79 0.00 0.81 0.50 0.02 0.00 0.00 177.57 178.11 1egr h LYS 80 N -0.36 0.18 -0.65 1.57 3.64 0.56 0.33 116.57 121.83 1egr h LYS 80 Ca -0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1egr h LYS 80 Cb 0.25 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1egr h LYS 80 CO 0.05 0.12 0.00 0.39 -2.27 0.00 0.00 179.45 177.74 1egr n GLU 81 N -4.56 2.71 0.00 1.90 4.71 0.10 -3.78 120.64 121.72 1egr n GLU 81 Ca 0.32 -2.55 0.00 0.00 -0.01 0.00 0.00 57.16 54.92 1egr n GLU 81 Cb 1.23 -1.53 0.00 0.00 -1.01 0.00 0.00 31.44 30.14 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 1.50 2.64 -1.31 1.62 3.02 0.21 -4.76 115.26 118.17 1egr n ASN 82 Ca 0.22 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.79 1egr n ASN 82 Cb 0.60 0.12 0.27 0.00 -0.61 0.00 0.00 39.78 40.16 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 -1.80 4.65 0.27 3.41 4.77 0.90 -4.39 117.00 124.81 1egr n LEU 83 Ca 0.00 -3.23 0.16 0.00 -0.03 0.00 0.00 56.01 52.91 1egr n LEU 83 Cb 0.30 -0.63 0.63 0.00 -2.33 0.00 0.00 43.42 41.39 1egr n LEU 83 CO 0.00 0.83 0.95 -0.78 -1.33 0.00 0.00 177.39 177.06 1egr h ASP 84 N 1.99 0.00 -0.01 -1.43 3.58 -1.67 -3.47 116.42 115.41 1egr h ASP 84 Ca 0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1egr h ASP 84 Cb 1.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.82 1egr h ASP 84 CO 0.42 0.04 0.00 0.00 -2.88 0.00 0.00 179.24 176.82