#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pac s ASP 2 N 0.00 0.97 0.42 -1.84 1.11 -1.26 -5.04 116.67 111.03 2pac s ASP 2 Ca 0.00 -1.02 0.26 0.00 0.18 0.00 0.00 52.55 51.97 2pac s ASP 2 Cb 0.00 0.13 0.70 0.00 1.07 0.00 0.00 42.92 44.81 2pac s ASP 2 CO 0.00 -0.51 1.73 1.55 1.18 0.00 0.00 175.17 179.12 2pac h PRO 3 N 2.99 0.00 0.00 8.23 0.13 -1.98 -2.08 132.00 139.30 2pac h PRO 3 Ca -0.35 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.69 2pac h PRO 3 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2pac h PRO 3 CO 0.65 0.00 -0.53 0.93 -0.23 0.00 0.00 178.00 178.81 2pac h GLU 4 N 0.00 0.00 0.00 0.86 5.08 -1.97 0.76 114.58 119.30 2pac h GLU 4 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 2pac h GLU 4 Cb 0.80 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 2pac h GLU 4 CO 0.00 0.36 -1.41 0.28 -1.00 0.00 0.00 179.01 177.24 2pac h VAL 5 N 0.00 0.92 0.05 3.13 2.07 -1.93 -3.16 116.25 117.33 2pac h VAL 5 Ca -0.02 -2.63 -0.26 0.00 0.82 0.00 0.00 66.70 64.61 2pac h VAL 5 Cb 1.32 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 33.47 2pac h VAL 5 CO 0.05 0.53 -1.28 -0.07 0.02 0.00 0.00 177.57 176.81 2pac h LEU 6 N 0.00 0.18 -1.48 2.57 3.38 -1.38 -2.52 115.31 116.06 2pac h LEU 6 Ca -0.18 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 2pac h LEU 6 Cb 1.82 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 2pac h LEU 6 CO 0.08 1.18 -0.25 0.15 0.09 0.00 0.00 178.44 179.69 2pac h PHE 7 N 0.03 0.00 0.00 1.13 3.57 -0.94 -2.12 116.94 118.62 2pac h PHE 7 Ca -0.13 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.31 2pac h PHE 7 Cb 1.91 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.64 2pac h PHE 7 CO 0.03 0.25 -1.12 1.57 -2.23 0.00 0.00 178.31 176.81 2pac h LYS 8 N 0.00 0.00 -2.27 1.11 2.10 -1.57 -3.01 116.57 112.93 2pac h LYS 8 Ca -0.00 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 58.01 2pac h LYS 8 Cb 0.54 0.00 -0.39 0.00 -0.90 0.00 0.00 32.23 31.48 2pac h LYS 8 CO 0.03 0.10 -0.31 -1.71 -2.00 0.00 0.00 179.45 175.56 2pac n ASN 9 N -2.76 5.07 0.00 7.07 5.15 -0.83 -4.58 115.26 124.38 2pac n ASN 9 Ca -0.03 -3.69 0.00 0.00 -0.60 0.00 0.00 54.58 50.26 2pac n ASN 9 Cb 0.65 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 39.22 2pac n ASN 9 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2pac n LYS 10 N -0.22 0.00 0.00 1.20 3.00 -1.02 -4.81 118.16 116.31 2pac n LYS 10 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 2pac n LYS 10 Cb 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 35.03 35.33 2pac n LYS 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pac n GLY 11 N -0.82 0.25 0.48 3.14 0.00 -1.26 -5.04 105.19 101.94 2pac n GLY 11 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2pac n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pac n VAL 13 N -5.34 0.93 -0.04 0.00 3.14 -1.14 -2.28 118.33 113.60 2pac n VAL 13 Ca -0.13 0.23 0.24 0.00 -2.96 0.00 0.00 64.34 61.72 2pac n VAL 13 Cb 0.46 -1.19 0.72 0.00 -1.06 0.00 0.00 33.84 32.77 2pac n VAL 13 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2pac h ALA 14 N 2.14 2.51 0.00 1.55 0.00 -1.76 -3.22 119.26 120.47 2pac h ALA 14 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pac h ALA 14 Cb 0.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2pac h ALA 14 CO 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 179.25 178.35 2pac n HIS 16 N 0.00 0.00 -0.75 0.00 -0.00 -0.97 -2.41 115.22 111.09 2pac n HIS 16 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.79 2pac n HIS 16 Cb 0.52 -0.02 -0.04 0.00 -0.00 0.00 0.00 29.99 30.45 2pac n HIS 16 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2pac n ALA 17 N -2.13 -1.78 -0.09 -1.41 0.00 -1.26 -4.36 120.51 109.49 2pac n ALA 17 Ca 0.00 0.43 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 2pac n ALA 17 Cb 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 2pac n ALA 17 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2pac n ILE 18 N -2.94 1.46 -0.62 0.00 -6.64 -1.26 -3.24 119.36 106.12 2pac n ILE 18 Ca -0.04 0.11 0.08 0.00 -1.77 0.00 0.00 62.75 61.13 2pac n ILE 18 Cb 0.33 -2.27 0.36 0.00 -1.44 0.00 0.00 39.64 36.62 2pac n ILE 18 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 2pac n ASP 19 N -4.53 4.94 -4.25 7.28 5.75 -1.26 -1.98 116.55 122.50 2pac n ASP 19 Ca -0.17 -2.60 -0.15 0.00 -0.01 0.00 0.00 54.79 51.86 2pac n ASP 19 Cb 0.44 -0.61 -0.10 0.00 -1.03 0.00 0.00 41.12 39.82 2pac n ASP 19 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2pac s THR 20 N -2.15 1.22 0.35 2.12 2.01 -1.26 -5.07 115.64 112.86 2pac s THR 20 Ca 0.50 -1.99 0.09 0.00 0.31 0.00 0.00 61.69 60.61 2pac s THR 20 Cb 0.35 -1.77 -0.06 0.00 0.01 0.00 0.00 72.50 71.02 2pac s THR 20 CO 0.21 -0.67 -0.06 -0.54 -0.69 0.00 0.00 174.62 172.87 2pac s LYS 21 N -3.49 1.89 0.00 4.92 1.02 -1.26 -4.03 119.74 118.79 2pac s LYS 21 Ca 0.15 -1.91 0.00 0.00 0.02 0.00 0.00 55.97 54.23 2pac s LYS 21 Cb 0.01 -1.75 0.00 0.00 -0.52 0.00 0.00 37.83 35.56 2pac s LYS 21 CO 0.01 0.12 0.00 -0.12 -0.92 0.00 0.00 175.35 174.44 2pac n MET 22 N -0.85 0.00 -0.11 1.68 1.56 -1.26 -5.00 117.12 113.14 2pac n MET 22 Ca -0.05 0.00 -0.24 0.00 -0.27 0.00 0.00 57.70 57.14 2pac n MET 22 Cb 0.64 0.00 -0.11 0.00 2.15 0.00 0.00 33.22 35.89 2pac n MET 22 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2pac n VAL 23 N 0.00 1.55 -3.25 1.12 0.31 -1.10 -5.00 118.33 111.96 2pac n VAL 23 Ca 0.00 -0.42 -0.19 0.00 -0.01 0.00 0.00 64.34 63.72 2pac n VAL 23 Cb 0.00 -1.75 0.01 0.00 -0.91 0.00 0.00 33.84 31.18 2pac n VAL 23 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2pac s GLY 24 N -5.71 2.00 0.55 2.92 0.00 -1.01 -4.90 107.32 101.17 2pac s GLY 24 Ca -0.34 -1.80 -0.18 0.00 0.00 0.00 0.00 44.72 42.40 2pac s GLY 24 CO 0.57 -1.63 1.06 2.56 0.00 0.00 0.00 173.10 175.67 2pac s PRO 25 N -4.34 3.47 0.01 2.90 0.04 -1.26 -4.77 135.00 131.05 2pac s PRO 25 Ca 0.53 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 2pac s PRO 25 Cb -0.06 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2pac s PRO 25 CO 0.32 -0.70 1.17 0.00 0.04 0.00 0.00 177.00 177.83 2pac s ALA 26 N -2.19 3.41 0.56 8.56 0.00 -1.26 -4.76 121.76 126.08 2pac s ALA 26 Ca 0.66 0.72 0.27 0.00 0.00 0.00 0.00 51.96 53.61 2pac s ALA 26 Cb -0.17 -3.46 1.50 0.00 0.00 0.00 0.00 23.12 20.98 2pac s ALA 26 CO 0.30 -0.55 2.02 1.88 0.00 0.00 0.00 175.76 179.41 2pac h TYR 27 N 7.07 0.00 -0.22 0.00 -1.99 -1.37 0.39 116.97 120.85 2pac h TYR 27 Ca -0.38 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.27 2pac h TYR 27 Cb 1.19 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.92 2pac h TYR 27 CO 0.70 0.00 -0.14 -0.22 -0.00 0.00 0.00 178.16 178.50 2pac h LYS 28 N 0.00 0.49 -0.58 4.88 3.11 -1.73 0.21 116.57 122.96 2pac h LYS 28 Ca 0.18 -0.23 -0.03 0.00 -2.81 0.00 0.00 60.65 57.76 2pac h LYS 28 Cb 0.83 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 32.02 2pac h LYS 28 CO -0.00 0.78 0.25 -0.44 -2.81 0.00 0.00 179.45 177.23 2pac h ASP 29 N 0.19 0.75 0.55 4.20 3.32 -1.19 0.56 116.42 124.79 2pac h ASP 29 Ca 0.05 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.86 2pac h ASP 29 Cb 0.66 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2pac h ASP 29 CO 0.04 0.66 -0.66 0.58 -1.72 0.00 0.00 179.24 178.14 2pac h VAL 30 N 0.82 1.44 -0.36 -1.35 2.07 -1.16 -1.34 116.25 116.37 2pac h VAL 30 Ca 0.20 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.53 2pac h VAL 30 Cb 0.14 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2pac h VAL 30 CO -0.02 0.63 0.00 0.00 0.02 0.00 0.00 177.57 178.20 2pac n ALA 31 N -2.44 3.08 -0.94 1.67 0.00 0.73 -1.74 120.51 120.86 2pac n ALA 31 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2pac n ALA 31 Cb 0.65 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.06 2pac n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pac n ALA 32 N 0.47 1.20 0.11 0.00 0.00 0.18 -4.60 120.51 117.86 2pac n ALA 32 Ca 0.16 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2pac n ALA 32 Cb 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2pac n ALA 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pac n LYS 33 N -0.07 0.00 0.00 0.00 4.76 -0.58 -4.86 118.16 117.40 2pac n LYS 33 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.58 2pac n LYS 33 Cb 0.48 -0.02 0.46 0.00 -1.84 0.00 0.00 35.03 34.11 2pac n LYS 33 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2pac n PHE 34 N -3.25 0.00 -2.42 2.13 3.01 -0.71 -4.88 117.46 111.33 2pac n PHE 34 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.10 2pac n PHE 34 Cb 0.01 -0.16 -0.03 0.00 -0.01 0.00 0.00 39.48 39.29 2pac n PHE 34 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pac s ALA 35 N -2.53 2.97 0.00 4.37 0.00 -1.02 -2.92 121.76 122.63 2pac s ALA 35 Ca 0.25 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.98 2pac s ALA 35 Cb 0.19 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2pac s ALA 35 CO 0.51 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.25 2pac n GLY 36 N 0.24 2.83 3.73 0.00 0.00 -1.26 -4.91 105.19 105.81 2pac n GLY 36 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2pac n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pac s GLN 37 N -0.01 3.06 -0.25 1.61 -2.07 -1.15 -5.09 119.66 115.76 2pac s GLN 37 Ca 0.00 -0.38 -0.02 0.00 -1.82 0.00 0.00 55.36 53.14 2pac s GLN 37 Cb 0.00 -2.86 0.13 0.00 -1.09 0.00 0.00 33.01 29.19 2pac s GLN 37 CO 0.00 0.71 0.32 0.00 -1.32 0.00 0.00 175.29 175.00 2pac s ALA 38 N -0.95 -0.76 0.00 2.60 0.00 -1.26 -4.94 121.76 116.46 2pac s ALA 38 Ca 0.15 0.43 0.10 0.00 0.00 0.00 0.00 51.96 52.64 2pac s ALA 38 Cb -0.11 -1.64 0.17 0.00 0.00 0.00 0.00 23.12 21.53 2pac s ALA 38 CO 0.04 -1.38 1.01 0.41 0.00 0.00 0.00 175.76 175.84 2pac n GLY 39 N 5.34 0.76 0.00 0.00 0.00 -1.26 -5.03 105.19 105.00 2pac n GLY 39 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2pac n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pac n ALA 40 N 0.20 0.32 -1.65 4.61 0.00 -1.26 -4.98 120.51 117.74 2pac n ALA 40 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 2pac n ALA 40 Cb 0.85 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.28 2pac n ALA 40 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2pac n GLU 41 N 0.00 -1.59 0.09 0.00 0.28 -1.26 -4.47 120.64 113.69 2pac n GLU 41 Ca 0.00 0.53 0.00 0.00 -0.16 0.00 0.00 57.16 57.53 2pac n GLU 41 Cb 0.00 -4.83 0.00 0.00 1.43 0.00 0.00 31.44 28.04 2pac n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2pac n ALA 42 N -0.67 3.00 1.70 -1.84 0.00 -1.26 -4.61 120.51 116.83 2pac n ALA 42 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.46 2pac n ALA 42 Cb 0.40 0.09 0.57 0.00 0.00 0.00 0.00 19.45 20.50 2pac n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2pac n GLU 43 N -3.24 1.31 -0.01 0.00 2.13 -1.26 -2.69 120.64 116.87 2pac n GLU 43 Ca 0.00 -0.46 -0.16 0.00 0.66 0.00 0.00 57.16 57.20 2pac n GLU 43 Cb 0.04 -1.39 -0.14 0.00 0.27 0.00 0.00 31.44 30.22 2pac n GLU 43 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2pac n LEU 44 N -0.37 1.94 0.18 4.31 0.00 -1.26 -3.01 117.00 118.80 2pac n LEU 44 Ca 0.17 0.27 0.05 0.00 0.00 0.00 0.00 56.01 56.50 2pac n LEU 44 Cb 0.19 -0.60 0.28 0.00 0.00 0.00 0.00 43.42 43.29 2pac n LEU 44 CO 0.13 0.68 0.64 0.00 0.00 0.00 0.00 177.39 178.84 2pac h ALA 45 N 0.43 0.93 0.00 1.96 0.00 -1.78 -2.49 119.26 118.31 2pac h ALA 45 Ca -0.38 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.08 2pac h ALA 45 Cb 2.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 2pac h ALA 45 CO 0.08 0.50 -0.41 1.96 0.00 0.00 0.00 179.25 181.38 2pac h GLN 46 N 0.00 0.00 -0.20 0.00 1.08 -1.60 -2.96 115.11 111.42 2pac h GLN 46 Ca -0.00 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.02 2pac h GLN 46 Cb 0.99 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.41 2pac h GLN 46 CO 0.05 0.41 -0.59 -0.09 -0.95 0.00 0.00 178.83 177.67 2pac h ARG 47 N 0.00 0.66 -0.65 1.46 9.65 -1.36 0.64 114.38 124.78 2pac h ARG 47 Ca -0.00 -0.44 0.12 0.00 -1.10 0.00 0.00 59.98 58.55 2pac h ARG 47 Cb 1.17 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.77 2pac h ARG 47 CO 0.05 1.06 0.44 0.82 2.80 0.00 0.00 179.97 185.14 2pac h ILE 48 N 0.50 0.86 -0.07 1.20 2.04 -1.32 0.12 117.51 120.84 2pac h ILE 48 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2pac h ILE 48 Cb 1.16 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2pac h ILE 48 CO 0.12 0.08 0.00 0.29 0.00 0.00 0.00 178.15 178.63 2pac n LYS 49 N -4.47 2.08 0.00 2.37 4.76 -1.08 -4.60 118.16 117.22 2pac n LYS 49 Ca 0.11 -1.40 0.00 0.00 -2.87 0.00 0.00 58.31 54.15 2pac n LYS 49 Cb 0.43 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 2pac n LYS 49 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2pac n ASN 50 N -0.14 0.32 0.00 4.39 5.15 0.22 0.26 115.26 125.47 2pac n ASN 50 Ca 0.03 -0.65 0.00 0.00 -0.60 0.00 0.00 54.58 53.36 2pac n ASN 50 Cb 0.24 0.38 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 2pac n ASN 50 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pac n GLY 51 N 0.38 -2.24 0.01 8.20 0.00 0.37 -4.64 105.19 107.27 2pac n GLY 51 Ca 0.00 -1.16 0.13 0.00 0.00 0.00 0.00 46.02 44.98 2pac n GLY 51 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pac n SER 52 N -0.67 0.38 0.00 1.61 7.64 -1.26 -4.79 113.62 116.54 2pac n SER 52 Ca 0.00 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2pac n SER 52 Cb 0.00 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2pac n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pac n GLN 53 N -1.46 0.00 0.00 1.43 10.64 -1.26 -4.55 117.38 122.18 2pac n GLN 53 Ca 0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 2pac n GLN 53 Cb 0.33 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.71 2pac n GLN 53 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2pac n GLY 54 N 0.00 1.93 0.05 2.61 0.00 -1.26 -3.74 105.19 104.78 2pac n GLY 54 Ca 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 2pac n GLY 54 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pac n VAL 55 N 0.00 0.66 -0.12 1.61 0.31 -1.26 -4.71 118.33 114.82 2pac n VAL 55 Ca 0.00 -0.39 -0.18 0.00 -0.01 0.00 0.00 64.34 63.77 2pac n VAL 55 Cb 0.00 -0.77 -0.10 0.00 -0.91 0.00 0.00 33.84 32.06 2pac n VAL 55 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2pac n TRP 56 N -2.41 0.00 -4.15 3.52 7.02 -1.26 -5.06 117.44 115.10 2pac n TRP 56 Ca -0.16 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.18 2pac n TRP 56 Cb 0.80 -0.88 -0.07 0.00 -2.42 0.00 0.00 31.31 28.74 2pac n TRP 56 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 2pac s GLY 57 N -6.08 1.49 -1.29 6.99 0.00 -1.26 -5.08 107.32 102.09 2pac s GLY 57 Ca -0.31 -1.59 -0.16 0.00 0.00 0.00 0.00 44.72 42.65 2pac s GLY 57 CO 0.51 -1.18 1.71 -1.55 0.00 0.00 0.00 173.10 172.59 2pac n PRO 58 N -0.44 3.23 -3.21 2.90 -0.04 -1.26 -4.34 135.00 131.83 2pac n PRO 58 Ca 0.02 -3.38 0.04 0.00 -0.04 0.00 0.00 63.50 60.14 2pac n PRO 58 Cb 0.63 -3.34 -0.02 0.00 -0.04 0.00 0.00 33.50 30.73 2pac n PRO 58 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2pac s ILE 59 N 3.28 -0.38 -0.34 0.52 2.07 -1.26 -5.08 121.20 120.00 2pac s ILE 59 Ca 0.50 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.45 2pac s ILE 59 Cb 0.03 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.64 2pac s ILE 59 CO 0.04 0.00 1.08 -2.16 -1.91 0.00 0.00 174.94 172.00 2pac s PRO 60 N 2.75 4.02 0.20 3.50 0.04 -1.25 -4.32 135.00 139.95 2pac s PRO 60 Ca -0.00 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 2pac s PRO 60 Cb -0.09 -3.76 -0.16 0.00 0.04 0.00 0.00 34.50 30.53 2pac s PRO 60 CO -0.14 -0.97 0.78 -0.12 0.04 0.00 0.00 177.00 176.59 2pac n MET 61 N 7.01 0.50 -1.42 4.56 0.00 -1.26 -4.64 117.12 121.88 2pac n MET 61 Ca 0.12 0.18 -0.49 0.00 -0.00 0.00 0.00 57.70 57.51 2pac n MET 61 Cb 0.47 -1.38 -0.11 0.00 0.00 0.00 0.00 33.22 32.20 2pac n MET 61 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2pac n PRO 62 N 1.07 0.42 -2.63 2.12 -0.02 -1.26 -3.52 135.00 131.18 2pac n PRO 62 Ca 0.16 0.08 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 2pac n PRO 62 Cb 0.25 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 2pac n PRO 62 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2pac s PRO 63 N 7.25 3.45 -0.41 0.52 0.04 -1.26 -4.53 135.00 140.06 2pac s PRO 63 Ca 1.20 -0.97 0.02 0.00 0.04 0.00 0.00 61.00 61.29 2pac s PRO 63 Cb -1.09 -4.92 0.15 0.00 0.04 0.00 0.00 34.50 28.68 2pac s PRO 63 CO 0.51 -2.10 0.27 1.21 0.04 0.00 0.00 177.00 176.93 2pac s ASN 64 N 4.38 2.90 0.18 6.66 2.47 0.14 -4.79 114.94 126.88 2pac s ASN 64 Ca 0.40 -2.64 -0.30 0.00 0.42 0.00 0.00 52.86 50.74 2pac s ASN 64 Cb -0.04 -0.67 -0.17 0.00 -1.45 0.00 0.00 41.25 38.92 2pac s ASN 64 CO -0.02 -0.25 0.67 0.00 -3.72 0.00 0.00 177.10 173.78 2pac n ALA 65 N 3.47 -2.63 -0.15 1.71 0.00 -0.53 -4.71 120.51 117.67 2pac n ALA 65 Ca 0.16 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2pac n ALA 65 Cb 0.39 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2pac n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2pac n VAL 66 N 0.28 0.00 0.00 0.00 0.31 -1.26 -5.08 118.33 112.58 2pac n VAL 66 Ca 0.17 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 2pac n VAL 66 Cb 0.23 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 2pac n VAL 66 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2pac n SER 67 N -2.28 0.84 -2.75 4.52 3.41 -1.26 -5.04 113.62 111.05 2pac n SER 67 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 2pac n SER 67 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 2pac n SER 67 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2pac n ASP 68 N 0.00 0.84 0.08 4.04 8.00 -1.26 -4.82 116.55 123.44 2pac n ASP 68 Ca 0.00 -2.30 0.00 0.00 0.71 0.00 0.00 54.79 53.20 2pac n ASP 68 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 2pac n ASP 68 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2pac n ASP 69 N -0.55 -0.89 -0.21 -2.24 5.75 -1.26 -4.62 116.55 112.52 2pac n ASP 69 Ca 0.04 0.29 0.08 0.00 -0.01 0.00 0.00 54.79 55.18 2pac n ASP 69 Cb 0.82 1.02 0.35 0.00 -1.03 0.00 0.00 41.12 42.28 2pac n ASP 69 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2pac h GLU 70 N 0.00 0.73 0.05 0.11 5.08 -1.98 0.19 114.58 118.76 2pac h GLU 70 Ca 0.00 -0.04 -0.24 0.00 -1.00 0.00 0.00 59.36 58.08 2pac h GLU 70 Cb 0.00 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2pac h GLU 70 CO 0.00 0.48 -1.10 0.00 -1.00 0.00 0.00 179.01 177.39 2pac h ALA 71 N 1.60 0.25 0.00 3.43 0.00 -1.90 -3.16 119.26 119.47 2pac h ALA 71 Ca 0.35 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2pac h ALA 71 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2pac h ALA 71 CO -0.13 1.14 0.00 0.37 0.00 0.00 0.00 179.25 180.63 2pac h GLN 72 N 0.03 0.00 0.10 0.00 -0.00 -0.97 -0.25 115.11 114.02 2pac h GLN 72 Ca -0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.37 2pac h GLN 72 Cb 1.85 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 29.33 2pac h GLN 72 CO 0.16 0.00 -1.10 1.15 0.00 0.00 0.00 178.83 179.04 2pac h THR 73 N 0.00 1.22 -0.00 2.39 2.02 -1.05 -3.23 112.91 114.25 2pac h THR 73 Ca 0.00 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.78 2pac h THR 73 Cb 0.21 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 2pac h THR 73 CO 0.00 0.65 -0.07 0.18 0.37 0.00 0.00 175.52 176.65 2pac n LEU 74 N -4.10 0.12 0.05 2.58 4.32 -1.04 -3.05 117.00 115.87 2pac n LEU 74 Ca -0.21 0.32 -0.15 0.00 -0.02 0.00 0.00 56.01 55.94 2pac n LEU 74 Cb 0.81 -0.37 -0.14 0.00 -1.62 0.00 0.00 43.42 42.10 2pac n LEU 74 CO 0.40 0.03 -0.35 0.00 -1.22 0.00 0.00 177.39 176.24 2pac h ALA 75 N 3.21 0.36 0.00 -1.18 0.00 -1.16 -2.51 119.26 117.97 2pac h ALA 75 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 2pac h ALA 75 Cb 0.42 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2pac h ALA 75 CO 0.00 1.23 -0.16 1.57 0.00 0.00 0.00 179.25 181.88 2pac h LYS 76 N 0.05 0.00 0.07 0.00 2.10 -1.57 -1.40 116.57 115.82 2pac h LYS 76 Ca -0.24 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.09 2pac h LYS 76 Cb 2.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.30 2pac h LYS 76 CO 0.14 0.00 -1.72 2.35 -2.00 0.00 0.00 179.45 178.22 2pac h TRP 77 N 0.00 0.26 0.29 0.07 7.01 -1.61 -0.20 115.95 121.77 2pac h TRP 77 Ca 0.00 -0.19 -0.01 0.00 2.11 0.00 0.00 58.89 60.79 2pac h TRP 77 Cb 0.79 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.85 2pac h TRP 77 CO 0.00 1.34 -0.14 0.28 -2.79 0.00 0.00 178.44 177.13 2pac h VAL 78 N 0.04 0.74 0.55 2.65 2.07 -1.41 -3.23 116.25 117.65 2pac h VAL 78 Ca -0.31 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 2pac h VAL 78 Cb 2.01 0.98 0.01 0.00 -1.52 0.00 0.00 31.29 32.77 2pac h VAL 78 CO 0.11 0.09 -0.26 0.25 0.02 0.00 0.00 177.57 177.77 2pac h LEU 79 N -0.63 -0.62 -8.49 2.57 5.85 -1.37 -3.36 115.31 109.25 2pac h LEU 79 Ca -0.04 0.02 -0.67 0.00 0.84 0.00 0.00 57.88 58.03 2pac h LEU 79 Cb 0.45 0.16 -0.25 0.00 0.37 0.00 0.00 40.66 41.39 2pac h LEU 79 CO 0.07 -0.43 -0.62 -0.94 -0.34 0.00 0.00 178.44 176.17 2pac s SER 80 N -3.18 5.11 0.18 1.25 1.04 -0.09 -3.97 113.70 114.04 2pac s SER 80 Ca -0.11 -0.50 -0.16 0.00 0.48 0.00 0.00 55.95 55.67 2pac s SER 80 Cb 0.01 -1.90 0.14 0.00 0.10 0.00 0.00 66.02 64.37 2pac s SER 80 CO 0.32 -0.13 1.67 -0.61 0.98 0.00 0.00 173.24 175.47 2pac h GLN 81 N 8.24 0.03 0.00 4.02 4.15 -1.78 -3.31 115.11 126.46 2pac h GLN 81 Ca -0.35 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.07 2pac h GLN 81 Cb 1.15 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.83 2pac h GLN 81 CO 0.60 0.02 0.00 0.36 -1.93 0.00 0.00 178.83 177.87