#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pac n ASP 2 N 0.00 0.00 0.10 1.62 2.03 -1.26 -4.95 116.55 114.09 2pac n ASP 2 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 2pac n ASP 2 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2pac n ASP 2 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2pac h PRO 3 N 0.00 0.00 0.00 -0.67 0.13 -1.98 -1.40 132.00 128.09 2pac h PRO 3 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2pac h PRO 3 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2pac h PRO 3 CO 0.00 0.67 -0.11 1.49 -0.23 0.00 0.00 178.00 179.82 2pac h GLU 4 N 0.00 0.00 0.00 0.86 4.22 -1.97 0.44 114.58 118.13 2pac h GLU 4 Ca -0.02 0.00 -0.22 0.00 0.08 0.00 0.00 59.36 59.20 2pac h GLU 4 Cb 1.55 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.76 2pac h GLU 4 CO 0.09 0.00 -1.62 0.28 -2.18 0.00 0.00 179.01 175.58 2pac n VAL 5 N -3.05 1.27 0.06 0.32 0.31 -1.19 -3.12 118.33 112.94 2pac n VAL 5 Ca 0.04 -0.73 -0.13 0.00 -0.01 0.00 0.00 64.34 63.51 2pac n VAL 5 Cb 0.53 -0.76 -0.13 0.00 -0.91 0.00 0.00 33.84 32.57 2pac n VAL 5 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2pac h LEU 6 N 0.00 0.22 -0.23 7.52 6.46 -1.24 -1.00 115.31 127.06 2pac h LEU 6 Ca -0.23 -0.29 -0.01 0.00 -0.12 0.00 0.00 57.88 57.23 2pac h LEU 6 Cb 1.75 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.59 2pac h LEU 6 CO 0.05 1.24 0.10 0.15 -0.62 0.00 0.00 178.44 179.36 2pac h PHE 7 N 0.04 0.33 0.00 1.25 3.04 -1.02 -2.92 116.94 117.66 2pac h PHE 7 Ca -0.16 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.77 2pac h PHE 7 Cb 1.94 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 40.34 2pac h PHE 7 CO 0.04 0.34 -0.49 -0.22 -2.02 0.00 0.00 178.31 175.95 2pac h LYS 8 N 0.23 0.00 0.15 1.11 3.64 -1.64 -2.48 116.57 117.57 2pac h LYS 8 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2pac h LYS 8 Cb 0.14 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2pac h LYS 8 CO -0.01 0.00 -0.27 -0.97 -2.27 0.00 0.00 179.45 175.93 2pac h ASN 9 N 0.00 -0.79 0.00 4.20 -0.00 -0.97 -3.45 115.58 114.57 2pac h ASN 9 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 56.30 56.37 2pac h ASN 9 Cb 0.79 0.28 0.00 0.00 -0.00 0.00 0.00 38.32 39.38 2pac h ASN 9 CO 0.00 -0.32 0.00 2.29 -0.00 0.00 0.00 177.43 179.40 2pac n LYS 10 N -4.00 0.00 0.00 6.67 2.85 -1.23 -5.08 118.16 117.37 2pac n LYS 10 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 2pac n LYS 10 Cb 0.23 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.61 2pac n LYS 10 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pac n GLY 11 N 0.00 1.86 0.00 2.58 0.00 -1.25 -5.04 105.19 103.34 2pac n GLY 11 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.90 -0.33 0.00 3.14 -0.93 -1.48 118.33 119.62 2pac n VAL 13 Ca 0.00 0.22 0.32 0.00 -2.96 0.00 0.00 64.34 61.92 2pac n VAL 13 Cb 0.00 -0.99 0.67 0.00 -1.06 0.00 0.00 33.84 32.46 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 2.54 2.84 0.00 1.55 0.00 -1.88 -2.97 119.26 121.33 2pac h ALA 14 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2pac h ALA 14 Cb 0.19 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.95 2pac h ALA 14 CO 0.00 -1.21 -0.38 0.00 0.00 0.00 0.00 179.25 177.66 2pac n HIS 16 N 0.09 1.07 -3.88 0.00 8.25 -0.55 -3.15 115.22 117.05 2pac n HIS 16 Ca -0.07 -2.36 -0.08 0.00 -0.26 0.00 0.00 57.72 54.95 2pac n HIS 16 Cb 0.72 -0.30 -0.02 0.00 1.12 0.00 0.00 29.99 31.51 2pac n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pac s ALA 17 N -2.83 -0.91 -0.38 -1.41 0.00 -1.26 -4.69 121.76 110.28 2pac s ALA 17 Ca 0.01 -0.52 0.13 0.00 0.00 0.00 0.00 51.96 51.58 2pac s ALA 17 Cb 0.00 0.87 0.41 0.00 0.00 0.00 0.00 23.12 24.41 2pac s ALA 17 CO 0.01 -0.99 0.91 1.51 0.00 0.00 0.00 175.76 177.20 2pac n ILE 18 N -0.46 1.09 0.00 0.00 0.13 -1.26 -2.43 119.36 116.44 2pac n ILE 18 Ca -0.04 -4.03 0.00 0.00 -1.10 0.00 0.00 62.75 57.58 2pac n ILE 18 Cb 0.60 -0.10 0.00 0.00 -0.84 0.00 0.00 39.64 39.30 2pac n ILE 18 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 2pac n ASP 19 N -0.05 0.00 -4.36 9.51 5.68 -1.26 -4.72 116.55 121.35 2pac n ASP 19 Ca 0.20 0.00 -0.26 0.00 -0.50 0.00 0.00 54.79 54.23 2pac n ASP 19 Cb 0.71 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.60 2pac n ASP 19 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2pac s THR 20 N 0.00 0.95 0.00 2.12 2.01 -1.26 -4.97 115.64 114.50 2pac s THR 20 Ca 0.00 -2.00 0.07 0.00 0.31 0.00 0.00 61.69 60.07 2pac s THR 20 Cb 0.00 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 2pac s THR 20 CO 0.00 0.00 -0.22 -1.59 -0.69 0.00 0.00 174.62 172.12 2pac s LYS 21 N -3.79 2.10 0.00 4.92 -2.85 -1.26 -3.60 119.74 115.26 2pac s LYS 21 Ca 0.25 -0.94 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 2pac s LYS 21 Cb 0.05 -2.12 0.00 0.00 -2.06 0.00 0.00 37.83 33.70 2pac s LYS 21 CO 0.13 0.56 0.00 -1.33 0.10 0.00 0.00 175.35 174.81 2pac n MET 22 N 2.08 0.00 -0.12 1.78 2.81 -1.26 -5.00 117.12 117.41 2pac n MET 22 Ca -0.16 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.58 2pac n MET 22 Cb 0.52 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.90 2pac n MET 22 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2pac n VAL 23 N -0.01 1.38 -3.54 2.03 0.31 -1.23 -5.03 118.33 112.24 2pac n VAL 23 Ca 0.00 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 2pac n VAL 23 Cb 0.00 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 2pac n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pac n GLY 24 N 2.19 3.94 3.77 2.92 0.00 -1.19 -4.97 105.19 111.85 2pac n GLY 24 Ca -0.40 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.07 2pac n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pac s PRO 25 N -1.42 4.69 0.20 1.61 0.04 -1.26 -4.76 135.00 134.10 2pac s PRO 25 Ca 0.00 1.35 -0.31 0.00 0.04 0.00 0.00 61.00 62.08 2pac s PRO 25 Cb 0.00 -3.11 -0.10 0.00 0.04 0.00 0.00 34.50 31.32 2pac s PRO 25 CO 0.00 0.45 1.57 0.00 0.04 0.00 0.00 177.00 179.06 2pac s ALA 26 N -1.32 3.77 0.63 8.56 0.00 -1.24 -4.62 121.76 127.54 2pac s ALA 26 Ca 0.43 1.42 0.42 0.00 0.00 0.00 0.00 51.96 54.23 2pac s ALA 26 Cb -0.23 -3.62 2.30 0.00 0.00 0.00 0.00 23.12 21.57 2pac s ALA 26 CO 0.28 -0.82 2.29 1.88 0.00 0.00 0.00 175.76 179.40 2pac h TYR 27 N 6.23 0.00 0.23 0.00 -1.99 -1.74 0.01 116.97 119.71 2pac h TYR 27 Ca -0.44 0.00 -0.33 0.00 2.00 0.00 0.00 58.73 59.96 2pac h TYR 27 Cb 1.21 0.00 0.03 0.00 2.00 0.00 0.00 36.73 39.97 2pac h TYR 27 CO 0.63 0.00 -1.47 -0.22 -0.00 0.00 0.00 178.16 177.10 2pac h LYS 28 N 0.00 0.49 -0.27 4.88 3.64 -1.85 -0.93 116.57 122.54 2pac h LYS 28 Ca 0.00 -0.84 -0.07 0.00 -1.27 0.00 0.00 60.65 58.47 2pac h LYS 28 Cb 0.07 0.31 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2pac h LYS 28 CO 0.00 1.40 -0.13 -0.44 -2.27 0.00 0.00 179.45 178.02 2pac h ASP 29 N 0.13 0.44 0.52 4.20 5.19 -1.41 0.43 116.42 125.92 2pac h ASP 29 Ca -0.25 -0.11 -0.15 0.00 -0.62 0.00 0.00 57.03 55.90 2pac h ASP 29 Cb 2.14 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 41.52 2pac h ASP 29 CO 0.26 0.60 -0.67 0.58 -3.12 0.00 0.00 179.24 176.88 2pac h VAL 30 N 0.42 1.44 -0.31 -1.35 2.07 -1.25 -2.04 116.25 115.24 2pac h VAL 30 Ca 0.08 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.40 2pac h VAL 30 Cb 0.48 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2pac h VAL 30 CO 0.03 0.64 0.00 0.00 0.02 0.00 0.00 177.57 178.26 2pac n ALA 31 N -2.45 2.83 -0.48 1.67 0.00 0.08 -2.24 120.51 119.92 2pac n ALA 31 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2pac n ALA 31 Cb 0.66 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 0.40 1.37 0.00 0.00 0.00 0.13 -4.52 120.51 117.89 2pac n ALA 32 Ca 0.12 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2pac n ALA 32 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.08 3.00 0.00 0.00 4.76 -0.94 -4.87 118.16 120.03 2pac n LYS 33 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2pac n LYS 33 Cb 0.19 -0.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.78 2pac n LYS 33 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2pac n PHE 34 N -0.53 0.00 -1.61 2.13 7.35 -0.95 -5.06 117.46 118.79 2pac n PHE 34 Ca 0.00 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.39 2pac n PHE 34 Cb 0.05 0.00 0.22 0.00 0.35 0.00 0.00 39.48 40.10 2pac n PHE 34 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2pac n ALA 35 N -0.10 -2.23 -1.72 3.13 0.00 -1.21 -3.49 120.51 114.89 2pac n ALA 35 Ca 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 53.44 51.64 2pac n ALA 35 Cb 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 2pac n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pac n GLY 36 N -4.11 0.38 1.80 0.00 0.00 -1.26 -4.55 105.19 97.45 2pac n GLY 36 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2pac n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pac n GLN 37 N -2.05 0.00 0.00 1.61 1.13 -1.25 -5.14 117.38 111.68 2pac n GLN 37 Ca -0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 2pac n GLN 37 Cb 0.42 -0.07 0.00 0.00 0.11 0.00 0.00 30.24 30.70 2pac n GLN 37 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2pac n ALA 38 N -3.14 0.00 0.00 -1.58 0.00 -1.23 -4.93 120.51 109.63 2pac n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pac n ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2pac n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pac n GLY 39 N 0.00 2.69 0.00 0.00 0.00 -1.26 -4.96 105.19 101.66 2pac n GLY 39 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 0.00 -1.24 4.61 0.00 -1.26 -4.81 120.51 117.80 2pac n ALA 40 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2pac n ALA 40 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.34 0.05 0.00 0.28 -1.26 -4.55 120.64 113.82 2pac n GLU 41 Ca 0.00 0.64 0.00 0.00 -0.16 0.00 0.00 57.16 57.64 2pac n GLU 41 Cb 0.00 -4.78 0.00 0.00 1.43 0.00 0.00 31.44 28.09 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 0.35 3.00 1.37 -1.84 0.00 -1.26 -4.37 120.51 117.76 2pac n ALA 42 Ca -0.10 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.48 2pac n ALA 42 Cb 0.37 0.26 0.54 0.00 0.00 0.00 0.00 19.45 20.61 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 -3.29 0.78 -0.01 0.00 2.13 -1.26 -2.01 120.64 116.97 2pac n GLU 43 Ca 0.00 -0.34 -0.14 0.00 0.66 0.00 0.00 57.16 57.34 2pac n GLU 43 Cb 0.13 -1.49 -0.14 0.00 0.27 0.00 0.00 31.44 30.21 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 -0.82 1.64 0.20 4.31 -0.00 -1.26 -2.82 117.00 118.24 2pac n LEU 44 Ca 0.14 0.34 0.08 0.00 -0.00 0.00 0.00 56.01 56.57 2pac n LEU 44 Cb 0.30 -0.39 0.24 0.00 -0.00 0.00 0.00 43.42 43.57 2pac n LEU 44 CO 0.24 0.59 0.70 0.00 -0.00 0.00 0.00 177.39 178.92 2pac h ALA 45 N 0.60 0.89 0.00 1.96 0.00 -1.75 -2.67 119.26 118.29 2pac h ALA 45 Ca -0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2pac h ALA 45 Cb 2.02 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 2pac h ALA 45 CO 0.09 0.31 -0.16 0.37 0.00 0.00 0.00 179.25 179.86 2pac h GLN 46 N 0.00 0.00 -0.23 0.00 4.15 -1.45 -2.43 115.11 115.14 2pac h GLN 46 Ca -0.00 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 2pac h GLN 46 Cb 1.03 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 2pac h GLN 46 CO 0.03 0.16 -0.47 0.00 -1.93 0.00 0.00 178.83 176.63 2pac h ARG 47 N 0.00 0.60 0.00 1.69 2.47 -1.31 0.67 114.38 118.50 2pac h ARG 47 Ca -0.00 -0.34 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 2pac h ARG 47 Cb 0.96 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.30 2pac h ARG 47 CO 0.02 0.94 0.00 -0.89 0.56 0.00 0.00 179.97 180.60 2pac n ILE 48 N -4.00 0.14 0.09 2.04 5.41 -1.00 -0.36 119.36 121.69 2pac n ILE 48 Ca -0.02 0.04 0.01 0.00 1.00 0.00 0.00 62.75 63.77 2pac n ILE 48 Cb 0.56 -0.57 -0.00 0.00 -0.71 0.00 0.00 39.64 38.92 2pac n ILE 48 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 2pac n LYS 49 N -1.48 3.27 0.00 0.38 2.85 -0.89 -4.17 118.16 118.12 2pac n LYS 49 Ca 0.07 -0.28 0.00 0.00 -1.05 0.00 0.00 58.31 57.05 2pac n LYS 49 Cb 0.31 -0.79 0.00 0.00 -0.65 0.00 0.00 35.03 33.90 2pac n LYS 49 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2pac n ASN 50 N -0.53 0.05 0.00 -5.58 5.15 0.23 -2.39 115.26 112.19 2pac n ASN 50 Ca 0.01 -0.56 0.00 0.00 -0.60 0.00 0.00 54.58 53.43 2pac n ASN 50 Cb 0.04 0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.34 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 0.05 -1.59 2.91 8.20 0.00 0.52 -4.43 105.19 110.84 2pac n GLY 51 Ca 0.00 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.32 2pac n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pac s SER 52 N -3.48 0.43 -0.35 1.61 1.04 -1.26 -4.64 113.70 107.06 2pac s SER 52 Ca 0.00 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2pac s SER 52 Cb 0.00 -0.09 0.14 0.00 0.10 0.00 0.00 66.02 66.17 2pac s SER 52 CO 0.00 0.02 0.23 0.00 0.98 0.00 0.00 173.24 174.47 2pac s GLN 53 N 0.13 0.53 0.00 4.02 -2.07 -1.26 -3.02 119.66 117.98 2pac s GLN 53 Ca -0.01 -1.18 0.00 0.00 -1.82 0.00 0.00 55.36 52.35 2pac s GLN 53 Cb -0.04 -1.19 0.00 0.00 -1.09 0.00 0.00 33.01 30.69 2pac s GLN 53 CO -0.00 -1.19 0.00 0.41 -1.32 0.00 0.00 175.29 173.18 2pac n GLY 54 N 4.18 0.19 0.58 2.60 0.00 -1.26 -5.11 105.19 106.37 2pac n GLY 54 Ca 0.10 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -0.05 1.61 0.31 -1.26 -4.95 118.33 114.00 2pac n VAL 55 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2pac n VAL 55 Cb 0.00 -0.05 -0.15 0.00 -0.91 0.00 0.00 33.84 32.73 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 -1.45 0.24 -2.28 3.52 7.02 -1.26 -5.08 117.44 118.15 2pac n TRP 56 Ca 0.00 0.08 0.00 0.00 -1.02 0.00 0.00 57.50 56.56 2pac n TRP 56 Cb 0.00 -0.90 0.00 0.00 -2.42 0.00 0.00 31.31 27.99 2pac n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2pac n GLY 57 N 1.54 -0.56 0.00 6.99 0.00 -1.26 -5.16 105.19 106.74 2pac n GLY 57 Ca -0.20 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2pac n GLY 57 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pac n PRO 58 N 0.00 0.95 -2.79 1.61 -0.04 -1.26 -4.05 135.00 129.42 2pac n PRO 58 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 2pac n PRO 58 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 2pac n PRO 58 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2pac n ILE 59 N -0.44-11.38 -1.53 0.52 5.41 -1.26 -4.95 119.36 105.73 2pac n ILE 59 Ca 0.00 1.23 -0.31 0.00 1.00 0.00 0.00 62.75 64.67 2pac n ILE 59 Cb 0.00 -7.16 0.06 0.00 -0.71 0.00 0.00 39.64 31.84 2pac n ILE 59 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2pac s PRO 60 N -2.25 2.68 -0.38 0.38 0.04 -1.26 -4.96 135.00 129.25 2pac s PRO 60 Ca 0.16 0.92 -0.21 0.00 0.04 0.00 0.00 61.00 61.90 2pac s PRO 60 Cb -0.04 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.54 2pac s PRO 60 CO 0.77 -1.27 0.68 1.41 0.04 0.00 0.00 177.00 178.63 2pac s MET 61 N -5.05 3.61 -0.38 4.56 -2.45 -1.17 -4.92 119.30 113.50 2pac s MET 61 Ca 0.59 0.03 -0.36 0.00 -1.25 0.00 0.00 55.69 54.69 2pac s MET 61 Cb -0.14 -3.84 -0.13 0.00 1.25 0.00 0.00 34.83 31.97 2pac s MET 61 CO 0.55 -0.84 2.19 -2.30 1.05 0.00 0.00 175.02 175.67 2pac n PRO 62 N 6.22 0.89 -1.41 4.11 -0.02 -1.26 -3.62 135.00 139.91 2pac n PRO 62 Ca -0.00 0.24 -0.51 0.00 -2.02 0.00 0.00 63.50 61.21 2pac n PRO 62 Cb 0.48 -2.31 -0.08 0.00 -0.02 0.00 0.00 33.50 31.57 2pac n PRO 62 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2pac n PRO 63 N 8.11 0.77 0.07 0.52 -0.02 -1.26 -4.77 135.00 138.41 2pac n PRO 63 Ca 0.44 0.19 -0.21 0.00 -2.02 0.00 0.00 63.50 61.90 2pac n PRO 63 Cb 0.19 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.28 2pac n PRO 63 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2pac h ASN 64 N 12.10 0.60 -4.48 2.55 -0.00 -1.73 -3.47 115.58 121.14 2pac h ASN 64 Ca -0.22 -0.91 0.01 0.00 -0.00 0.00 0.00 56.30 55.18 2pac h ASN 64 Cb 1.34 -0.19 -0.08 0.00 -0.00 0.00 0.00 38.32 39.39 2pac h ASN 64 CO 1.07 1.46 -1.08 0.00 -0.00 0.00 0.00 177.43 178.88 2pac n ALA 65 N -2.67 -3.50 -2.14 1.57 0.00 -1.01 -5.03 120.51 107.73 2pac n ALA 65 Ca -0.14 1.48 0.00 0.00 0.00 0.00 0.00 53.44 54.78 2pac n ALA 65 Cb 0.88 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.44 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 1.08 0.00 -1.23 0.00 0.31 -1.26 -5.01 118.33 112.22 2pac n VAL 66 Ca -0.24 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.06 2pac n VAL 66 Cb 0.38 0.00 0.23 0.00 -0.91 0.00 0.00 33.84 33.54 2pac n VAL 66 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2pac n SER 67 N 0.00 3.38 -2.84 4.52 2.88 -1.26 -4.92 113.62 115.38 2pac n SER 67 Ca 0.00 -3.45 -0.13 0.00 -1.33 0.00 0.00 58.87 53.97 2pac n SER 67 Cb 0.00 -0.65 -0.01 0.00 -0.75 0.00 0.00 64.21 62.80 2pac n SER 67 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2pac n ASP 68 N -0.80 -2.58 0.03 -3.46 5.75 -1.26 -4.55 116.55 109.67 2pac n ASP 68 Ca 0.34 0.06 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 2pac n ASP 68 Cb 1.11 -2.24 0.00 0.00 -1.03 0.00 0.00 41.12 38.97 2pac n ASP 68 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2pac n ASP 69 N -1.85 -0.08 0.20 -1.12 2.03 -1.26 -4.57 116.55 109.90 2pac n ASP 69 Ca -0.04 0.09 0.18 0.00 0.52 0.00 0.00 54.79 55.55 2pac n ASP 69 Cb 0.54 0.15 0.80 0.00 -0.72 0.00 0.00 41.12 41.89 2pac n ASP 69 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2pac h GLU 70 N 0.00 0.00 0.08 -0.67 4.81 -1.98 0.32 114.58 117.14 2pac h GLU 70 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 2pac h GLU 70 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 2pac h GLU 70 CO 0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 179.01 177.76 2pac h ALA 71 N 1.51 -0.05 -0.38 2.92 0.00 -1.91 -3.23 119.26 118.13 2pac h ALA 71 Ca 0.10 -0.64 0.11 0.00 0.00 0.00 0.00 54.91 54.49 2pac h ALA 71 Cb 0.80 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2pac h ALA 71 CO -0.00 0.24 0.56 0.37 0.00 0.00 0.00 179.25 180.42 2pac h GLN 72 N -0.62 0.00 0.08 0.00 4.15 -0.64 0.47 115.11 118.54 2pac h GLN 72 Ca -0.09 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 2pac h GLN 72 Cb 1.39 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.08 2pac h GLN 72 CO 0.09 0.00 -0.04 1.15 -1.93 0.00 0.00 178.83 178.10 2pac h THR 73 N 0.00 1.19 0.00 2.39 2.02 -1.39 -2.98 112.91 114.13 2pac h THR 73 Ca 0.18 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 66.04 2pac h THR 73 Cb 1.29 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 2pac h THR 73 CO -0.00 0.31 0.00 0.18 0.37 0.00 0.00 175.52 176.38 2pac n LEU 74 N -4.85 0.00 0.13 2.58 4.32 0.42 -2.34 117.00 117.25 2pac n LEU 74 Ca -0.08 0.49 0.01 0.00 -0.02 0.00 0.00 56.01 56.41 2pac n LEU 74 Cb 0.29 -0.49 0.01 0.00 -1.62 0.00 0.00 43.42 41.61 2pac n LEU 74 CO 0.29 -0.13 0.42 0.00 -1.22 0.00 0.00 177.39 176.75 2pac h ALA 75 N 2.74 0.62 0.00 -1.18 0.00 -0.16 -1.23 119.26 120.06 2pac h ALA 75 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2pac h ALA 75 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2pac h ALA 75 CO 0.00 0.73 -0.69 1.57 0.00 0.00 0.00 179.25 180.86 2pac h LYS 76 N 0.00 0.00 0.17 0.00 2.10 -1.31 -1.71 116.57 115.82 2pac h LYS 76 Ca -0.01 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.35 2pac h LYS 76 Cb 1.44 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.79 2pac h LYS 76 CO 0.08 0.00 -1.41 2.35 -2.00 0.00 0.00 179.45 178.47 2pac h TRP 77 N 0.00 0.65 0.20 0.07 7.01 -1.46 -0.97 115.95 121.45 2pac h TRP 77 Ca 0.00 -0.48 -0.01 0.00 2.11 0.00 0.00 58.89 60.51 2pac h TRP 77 Cb 0.96 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.99 2pac h TRP 77 CO 0.00 1.55 -0.10 0.28 -2.79 0.00 0.00 178.44 177.38 2pac h VAL 78 N -0.11 0.83 0.00 2.65 2.07 -1.30 -3.16 116.25 117.22 2pac h VAL 78 Ca -0.28 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2pac h VAL 78 Cb 1.92 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2pac h VAL 78 CO 0.15 0.03 0.00 0.18 0.02 0.00 0.00 177.57 177.96 2pac n LEU 79 N -5.18 0.00 0.00 2.57 4.77 -0.64 -4.11 117.00 114.41 2pac n LEU 79 Ca -0.09 0.98 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 2pac n LEU 79 Cb 0.15 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 2pac n LEU 79 CO 0.34 -0.48 0.00 -1.20 -1.33 0.00 0.00 177.39 174.72 2pac n SER 80 N -2.40 0.00 0.00 -1.43 7.64 -0.37 -4.05 113.62 113.02 2pac n SER 80 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2pac n SER 80 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2pac n SER 80 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2pac n GLN 81 N 0.00 0.00 0.00 1.43 7.27 -1.20 -4.58 117.38 120.30 2pac n GLN 81 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.10 2pac n GLN 81 Cb 0.00 -0.08 0.02 0.00 2.41 0.00 0.00 30.24 32.59 2pac n GLN 81 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30