#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 -3.41 0.13 4.31 8.00 -1.26 -4.94 116.55 119.38 2pac n ASP 2 Ca 0.00 -0.33 0.04 0.00 0.71 0.00 0.00 54.79 55.21 2pac n ASP 2 Cb 0.00 -2.81 0.03 0.00 -0.02 0.00 0.00 41.12 38.31 2pac n ASP 2 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2pac h PRO 3 N -0.69 0.00 0.00 -0.24 0.13 -1.98 -1.32 132.00 127.90 2pac h PRO 3 Ca -0.30 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 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 0.23 0.34 -0.42 1.05 -0.23 0.00 0.00 178.00 178.97 2pac h GLU 4 N 0.00 0.00 0.00 0.86 9.09 -1.97 -0.02 114.58 122.54 2pac h GLU 4 Ca -0.03 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.22 2pac h GLU 4 Cb 1.33 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.40 2pac h GLU 4 CO 0.05 0.33 -1.27 0.28 0.05 0.00 0.00 179.01 178.45 2pac h VAL 5 N 0.00 0.59 0.14 -1.06 2.07 -1.93 -3.12 116.25 112.93 2pac h VAL 5 Ca -0.01 -2.07 -0.29 0.00 0.82 0.00 0.00 66.70 65.15 2pac h VAL 5 Cb 1.27 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 2pac h VAL 5 CO 0.04 0.33 -1.37 0.25 0.02 0.00 0.00 177.57 176.85 2pac h LEU 6 N 0.00 0.45 -1.45 2.57 7.12 -1.20 -2.88 115.31 119.92 2pac h LEU 6 Ca -0.14 -0.53 -0.04 0.00 0.13 0.00 0.00 57.88 57.31 2pac h LEU 6 Cb 1.57 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 41.55 2pac h LEU 6 CO 0.05 1.42 -0.17 0.15 -0.13 0.00 0.00 178.44 179.76 2pac h PHE 7 N 0.08 0.00 0.00 1.25 3.04 -1.10 -2.42 116.94 117.79 2pac h PHE 7 Ca -0.19 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.76 2pac h PHE 7 Cb 2.01 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.52 2pac h PHE 7 CO 0.07 0.17 -0.66 1.63 -2.02 0.00 0.00 178.31 177.50 2pac n LYS 8 N -3.45 0.04 0.00 1.11 4.76 -1.18 -2.37 118.16 117.07 2pac n LYS 8 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2pac n LYS 8 Cb 0.35 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 2pac n LYS 8 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2pac n ASN 9 N -1.58 0.00 0.00 4.39 5.15 -0.91 -4.82 115.26 117.49 2pac n ASN 9 Ca 0.05 0.74 0.00 0.00 -0.60 0.00 0.00 54.58 54.77 2pac n ASN 9 Cb 0.35 -0.24 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 2pac n ASN 9 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2pac n LYS 10 N -1.68 0.00 0.00 1.20 5.02 -1.26 -5.07 118.16 116.37 2pac n LYS 10 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2pac n LYS 10 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2pac n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pac n GLY 11 N 0.00 -2.09 0.52 0.72 0.00 -1.26 -5.00 105.19 98.07 2pac n GLY 11 Ca 0.00 0.72 -0.20 0.00 0.00 0.00 0.00 46.02 46.54 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 -5.63 0.84 -0.16 0.00 3.14 -1.00 -2.29 118.33 113.23 2pac n VAL 13 Ca -0.15 0.21 0.24 0.00 -2.96 0.00 0.00 64.34 61.68 2pac n VAL 13 Cb 0.50 -1.15 0.66 0.00 -1.06 0.00 0.00 33.84 32.79 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 2.17 2.61 0.00 1.55 0.00 -1.75 -3.28 119.26 120.56 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 0.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2pac h ALA 14 CO 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 179.25 178.35 2pac n HIS 16 N 0.00 0.00 -0.83 0.00 8.25 -0.97 -2.31 115.22 119.36 2pac n HIS 16 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 2pac n HIS 16 Cb 0.52 -0.12 -0.06 0.00 1.12 0.00 0.00 29.99 31.45 2pac n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pac n ALA 17 N -2.16 -2.20 -0.03 -1.41 0.00 -1.26 -4.23 120.51 109.22 2pac n ALA 17 Ca 0.00 0.55 0.06 0.00 0.00 0.00 0.00 53.44 54.04 2pac n ALA 17 Cb 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 19.45 18.37 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 -3.36 0.32 -1.89 0.00 -6.64 -1.26 -2.66 119.36 103.87 2pac n ILE 18 Ca -0.06 -0.55 0.04 0.00 -1.77 0.00 0.00 62.75 60.41 2pac n ILE 18 Cb 0.40 -0.10 0.05 0.00 -1.44 0.00 0.00 39.64 38.56 2pac n ILE 18 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 2pac n ASP 19 N -2.33 0.88 -3.88 7.28 2.03 -1.26 -1.02 116.55 118.25 2pac n ASP 19 Ca -0.10 -2.41 -0.09 0.00 0.52 0.00 0.00 54.79 52.70 2pac n ASP 19 Cb 0.68 -0.30 -0.08 0.00 -0.72 0.00 0.00 41.12 40.70 2pac n ASP 19 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2pac s THR 20 N -0.91 0.14 0.31 5.18 -4.23 -1.26 -5.07 115.64 109.80 2pac s THR 20 Ca 0.18 -1.13 0.10 0.00 -1.18 0.00 0.00 61.69 59.66 2pac s THR 20 Cb 0.18 -1.18 -0.05 0.00 1.34 0.00 0.00 72.50 72.79 2pac s THR 20 CO -0.04 -0.63 -0.03 -0.54 -0.54 0.00 0.00 174.62 172.84 2pac s LYS 21 N -3.36 2.04 0.00 3.99 1.02 -1.26 -4.07 119.74 118.10 2pac s LYS 21 Ca 0.01 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.31 2pac s LYS 21 Cb 0.03 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 2pac s LYS 21 CO -0.08 0.22 0.00 -1.33 -0.92 0.00 0.00 175.35 173.23 2pac n MET 22 N -0.88 0.00 0.00 1.68 2.81 -1.26 -5.01 117.12 114.46 2pac n MET 22 Ca -0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 2pac n MET 22 Cb 0.61 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.12 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 -1.69 0.00 -3.70 2.03 0.31 -1.22 -5.02 118.33 109.04 2pac n VAL 23 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 2pac n VAL 23 Cb 0.00 -0.63 -0.03 0.00 -0.91 0.00 0.00 33.84 32.27 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 -4.10 1.86 -0.09 2.92 0.00 -0.98 -4.67 107.32 102.27 2pac s GLY 24 Ca 0.00 -1.70 -0.30 0.00 0.00 0.00 0.00 44.72 42.72 2pac s GLY 24 CO 0.00 -1.59 1.35 2.56 0.00 0.00 0.00 173.10 175.42 2pac s PRO 25 N -4.05 4.25 0.30 2.90 0.04 -1.26 -4.76 135.00 132.42 2pac s PRO 25 Ca 0.43 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 2pac s PRO 25 Cb -0.05 -3.73 -0.13 0.00 0.04 0.00 0.00 34.50 30.64 2pac s PRO 25 CO 0.27 -0.66 1.39 0.00 0.04 0.00 0.00 177.00 178.05 2pac n ALA 26 N 6.18 1.49 0.28 8.56 0.00 -1.26 -4.83 120.51 130.93 2pac n ALA 26 Ca 0.14 0.38 0.14 0.00 0.00 0.00 0.00 53.44 54.10 2pac n ALA 26 Cb 0.44 -2.30 0.69 0.00 0.00 0.00 0.00 19.45 18.28 2pac n ALA 26 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2pac h TYR 27 N 3.55 0.00 0.00 0.00 -1.99 -1.51 -2.12 116.97 114.89 2pac h TYR 27 Ca -0.46 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.08 2pac h TYR 27 Cb 1.27 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.97 2pac h TYR 27 CO 0.54 0.00 -1.12 -0.22 -0.00 0.00 0.00 178.16 177.36 2pac h LYS 28 N 0.00 0.00 0.09 4.88 3.64 -1.38 -2.43 116.57 121.37 2pac h LYS 28 Ca 0.00 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 2pac h LYS 28 Cb 0.17 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2pac h LYS 28 CO 0.00 0.61 -1.17 0.38 -2.27 0.00 0.00 179.45 177.00 2pac h ASP 29 N 0.00 0.31 -0.12 4.20 3.04 -1.64 -0.99 116.42 121.22 2pac h ASP 29 Ca -0.10 -0.33 -0.10 0.00 -3.24 0.00 0.00 57.03 53.26 2pac h ASP 29 Cb 1.69 -0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 39.86 2pac h ASP 29 CO 0.08 1.26 -0.25 0.58 -2.04 0.00 0.00 179.24 178.87 2pac h VAL 30 N 0.06 1.27 0.00 4.15 2.07 -1.53 0.44 116.25 122.71 2pac h VAL 30 Ca -0.10 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 2pac h VAL 30 Cb 1.91 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2pac h VAL 30 CO 0.18 0.42 -0.24 0.00 0.02 0.00 0.00 177.57 177.95 2pac h ALA 31 N 1.23 0.93 -0.55 1.67 0.00 -1.35 -1.51 119.26 119.68 2pac h ALA 31 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2pac h ALA 31 Cb 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2pac h ALA 31 CO 0.05 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.60 2pac n ALA 32 N -2.19 3.42 -0.66 0.00 0.00 -0.38 -3.75 120.51 116.94 2pac n ALA 32 Ca 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.61 2pac n ALA 32 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.65 0.00 -0.26 0.00 4.76 0.04 -4.85 118.16 118.50 2pac n LYS 33 Ca 0.26 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.75 2pac n LYS 33 Cb 1.02 0.00 0.19 0.00 -1.84 0.00 0.00 35.03 34.40 2pac n LYS 33 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 2pac h PHE 34 N 0.00 0.50 -6.04 2.13 3.57 -1.52 -3.47 116.94 112.12 2pac h PHE 34 Ca 0.00 0.04 -0.32 0.00 3.53 0.00 0.00 57.97 61.22 2pac h PHE 34 Cb 0.00 -0.11 0.06 0.00 2.79 0.00 0.00 35.95 38.70 2pac h PHE 34 CO 0.00 0.05 -0.73 0.00 -2.23 0.00 0.00 178.31 175.40 2pac n ALA 35 N -2.52 -2.58 -2.68 2.41 0.00 -1.23 -1.18 120.51 112.72 2pac n ALA 35 Ca 0.14 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 2pac n ALA 35 Cb 0.42 -3.05 -0.01 0.00 0.00 0.00 0.00 19.45 16.82 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 -1.65 -0.49 0.44 0.00 0.00 -1.26 -4.83 105.19 97.39 2pac n GLY 36 Ca -0.11 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 2pac n GLY 36 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2pac h GLN 37 N -0.21 -0.76 -2.66 1.61 4.15 -1.50 -3.48 115.11 112.25 2pac h GLN 37 Ca -0.25 0.05 0.27 0.00 0.77 0.00 0.00 58.65 59.49 2pac h GLN 37 Cb 1.18 0.17 -0.14 0.00 0.21 0.00 0.00 27.48 28.90 2pac h GLN 37 CO 0.30 -0.51 -0.92 0.00 -1.93 0.00 0.00 178.83 175.77 2pac n ALA 38 N -2.79 -2.90 0.00 3.38 0.00 -1.26 -4.99 120.51 111.96 2pac n ALA 38 Ca -0.09 0.69 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2pac n ALA 38 Cb 0.40 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -3.81 1.03 0.00 0.00 0.00 -1.26 -4.93 105.19 96.22 2pac n GLY 39 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.29 0.99 0.22 4.61 0.00 -1.26 -4.89 120.51 119.90 2pac n ALA 40 Ca 0.00 -0.38 0.08 0.00 0.00 0.00 0.00 53.44 53.14 2pac n ALA 40 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.90 2pac n ALA 40 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2pac h GLU 41 N 0.00 0.00 0.18 0.00 4.39 -1.96 0.16 114.58 117.34 2pac h GLU 41 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2pac h GLU 41 Cb 0.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2pac h GLU 41 CO 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 179.01 177.77 2pac h ALA 42 N 1.10 -0.24 -0.02 3.43 0.00 -1.99 -1.78 119.26 119.77 2pac h ALA 42 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2pac h ALA 42 Cb 0.75 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2pac h ALA 42 CO 0.00 -0.25 0.00 -0.85 0.00 0.00 0.00 179.25 178.15 2pac n GLU 43 N -4.92 1.08 -0.04 0.00 0.00 -0.50 -2.05 120.64 114.21 2pac n GLU 43 Ca -0.05 -0.12 -0.13 0.00 0.00 0.00 0.00 57.16 56.86 2pac n GLU 43 Cb 0.18 -1.31 -0.14 0.00 0.00 0.00 0.00 31.44 30.17 2pac n GLU 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2pac n LEU 44 N -0.68 1.31 0.16 -1.84 -0.00 0.43 -2.99 117.00 113.40 2pac n LEU 44 Ca 0.14 0.24 0.04 0.00 -0.00 0.00 0.00 56.01 56.43 2pac n LEU 44 Cb 0.09 -0.17 0.12 0.00 -0.00 0.00 0.00 43.42 43.46 2pac n LEU 44 CO 0.11 0.57 0.55 0.00 -0.00 0.00 0.00 177.39 178.62 2pac h ALA 45 N 0.69 0.76 0.00 1.96 0.00 -0.92 -2.88 119.26 118.87 2pac h ALA 45 Ca -0.40 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.04 2pac h ALA 45 Cb 2.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 2pac h ALA 45 CO 0.06 0.54 -0.37 0.37 0.00 0.00 0.00 179.25 179.85 2pac h GLN 46 N 0.00 0.00 -0.13 0.00 -0.00 -1.51 -2.86 115.11 110.62 2pac h GLN 46 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.49 2pac h GLN 46 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.71 2pac h GLN 46 CO 0.06 0.37 -0.57 0.00 0.00 0.00 0.00 178.83 178.69 2pac h ARG 47 N 0.00 0.39 0.00 1.69 2.47 -1.41 0.58 114.38 118.11 2pac h ARG 47 Ca -0.00 -0.25 -0.03 0.00 -1.26 0.00 0.00 59.98 58.43 2pac h ARG 47 Cb 1.14 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.49 2pac h ARG 47 CO 0.05 0.85 -0.13 0.82 0.56 0.00 0.00 179.97 182.12 2pac h ILE 48 N 0.30 0.74 -0.05 2.04 2.04 -1.40 0.13 117.51 121.31 2pac h ILE 48 Ca 0.00 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2pac h ILE 48 Cb 1.08 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2pac h ILE 48 CO 0.10 0.13 0.00 1.17 0.00 0.00 0.00 178.15 179.55 2pac n LYS 49 N -3.86 2.16 0.00 2.37 4.81 -0.99 -4.66 118.16 118.00 2pac n LYS 49 Ca -0.02 -1.38 0.00 0.00 -0.87 0.00 0.00 58.31 56.04 2pac n LYS 49 Cb 0.23 -1.05 0.00 0.00 0.02 0.00 0.00 35.03 34.24 2pac n LYS 49 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2pac n ASN 50 N -0.23 0.14 -0.23 3.14 4.05 0.20 -1.67 115.26 120.67 2pac n ASN 50 Ca 0.02 -0.66 0.00 0.00 0.45 0.00 0.00 54.58 54.40 2pac n ASN 50 Cb 0.23 0.09 -0.00 0.00 1.23 0.00 0.00 39.78 41.33 2pac n ASN 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2pac n GLY 51 N 0.09 -2.94 0.00 8.20 0.00 0.44 -4.64 105.19 106.34 2pac n GLY 51 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.78 0.00 0.00 1.61 7.64 -1.23 -4.73 113.62 115.12 2pac n SER 52 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2pac n SER 52 Cb 0.08 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.00 0.00 0.00 1.43 6.02 -1.26 -4.53 117.38 119.04 2pac n GLN 53 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2pac n GLN 53 Cb 0.00 -0.33 0.00 0.00 1.02 0.00 0.00 30.24 30.93 2pac n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pac n GLY 54 N 1.85 -0.84 0.10 1.08 0.00 -1.26 -4.07 105.19 102.06 2pac n GLY 54 Ca 0.00 0.35 -0.20 0.00 0.00 0.00 0.00 46.02 46.17 2pac n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pac h VAL 55 N 0.00 1.13 0.00 1.61 2.07 -1.98 -3.38 116.25 115.70 2pac h VAL 55 Ca 0.00 -2.24 -0.16 0.00 0.82 0.00 0.00 66.70 65.12 2pac h VAL 55 Cb 0.00 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 2pac h VAL 55 CO 0.00 0.42 -1.23 -0.50 0.02 0.00 0.00 177.57 176.28 2pac h TRP 56 N -0.93 0.00 0.00 1.57 4.06 -2.00 -3.49 115.95 115.17 2pac h TRP 56 Ca -0.26 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.69 2pac h TRP 56 Cb 1.28 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.44 2pac h TRP 56 CO 0.14 0.58 0.00 0.41 -3.56 0.00 0.00 178.44 176.01 2pac n GLY 57 N 1.36 3.52 3.30 1.49 0.00 -1.26 -5.12 105.19 108.48 2pac n GLY 57 Ca -0.07 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 2pac n GLY 57 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2pac n PRO 58 N 0.00 0.14 -1.61 1.61 -0.02 -1.26 -4.80 135.00 129.06 2pac n PRO 58 Ca 0.00 0.06 -0.45 0.00 -2.02 0.00 0.00 63.50 61.09 2pac n PRO 58 Cb 0.00 -1.38 -0.02 0.00 -0.02 0.00 0.00 33.50 32.08 2pac n PRO 58 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 2pac n ILE 59 N -2.11 1.71 -1.33 4.25 0.13 -1.26 -4.58 119.36 116.17 2pac n ILE 59 Ca 0.07 -0.43 -0.40 0.00 -1.10 0.00 0.00 62.75 60.90 2pac n ILE 59 Cb 0.50 -1.09 0.01 0.00 -0.84 0.00 0.00 39.64 38.22 2pac n ILE 59 CO 0.00 0.00 0.00 -2.65 2.80 0.00 0.00 176.55 176.70 2pac n PRO 60 N 1.01 0.17 -1.98 9.51 -0.01 -1.26 -4.85 135.00 137.58 2pac n PRO 60 Ca 0.10 0.07 -0.41 0.00 -0.01 0.00 0.00 63.50 63.25 2pac n PRO 60 Cb 0.31 -1.21 -0.01 0.00 -0.01 0.00 0.00 33.50 32.58 2pac n PRO 60 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 175.50 176.90 2pac s MET 61 N -1.30 4.25 0.13 -0.52 -2.45 -1.26 -4.76 119.30 113.38 2pac s MET 61 Ca 0.61 2.36 -0.35 0.00 -1.25 0.00 0.00 55.69 57.06 2pac s MET 61 Cb -0.52 -3.04 -0.16 0.00 1.25 0.00 0.00 34.83 32.36 2pac s MET 61 CO 0.62 -0.36 1.34 -0.35 1.05 0.00 0.00 175.02 177.33 2pac n PRO 62 N 0.96 1.36 -1.67 4.11 -0.04 -1.26 -3.57 135.00 134.90 2pac n PRO 62 Ca 0.02 0.49 -0.30 0.00 -0.04 0.00 0.00 63.50 63.67 2pac n PRO 62 Cb 0.40 -2.12 0.07 0.00 -0.04 0.00 0.00 33.50 31.81 2pac n PRO 62 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2pac s PRO 63 N 0.31 2.44 0.85 0.54 0.04 -1.26 -4.07 135.00 133.85 2pac s PRO 63 Ca 0.80 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2pac s PRO 63 Cb -0.87 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2pac s PRO 63 CO 0.47 -1.36 0.00 0.27 0.04 0.00 0.00 177.00 176.42 2pac n ASN 64 N -3.25 0.00 -0.00 6.66 6.94 -0.67 -4.87 115.26 120.07 2pac n ASN 64 Ca 0.07 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.63 2pac n ASN 64 Cb 0.56 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.98 2pac n ASN 64 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2pac n ALA 65 N 3.61 -0.00 -3.01 -2.53 0.00 -1.26 -4.70 120.51 112.61 2pac n ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pac n ALA 65 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2pac n ALA 65 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2pac n VAL 66 N -3.00 0.00 -4.00 0.00 0.24 -1.26 -5.10 118.33 105.21 2pac n VAL 66 Ca -0.00 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.19 2pac n VAL 66 Cb 0.00 0.01 -0.08 0.00 -1.47 0.00 0.00 33.84 32.31 2pac n VAL 66 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2pac s SER 67 N -1.03 0.10 0.52 -1.34 1.04 -1.26 -5.05 113.70 106.69 2pac s SER 67 Ca 0.00 -0.94 -0.23 0.00 0.48 0.00 0.00 55.95 55.27 2pac s SER 67 Cb -0.00 0.40 -0.06 0.00 0.10 0.00 0.00 66.02 66.47 2pac s SER 67 CO 0.00 -0.85 1.36 -0.62 0.98 0.00 0.00 173.24 174.11 2pac s ASP 68 N -2.98 5.45 0.00 7.02 2.15 -1.26 -1.95 116.67 125.10 2pac s ASP 68 Ca 0.18 2.77 0.00 0.00 0.43 0.00 0.00 52.55 55.93 2pac s ASP 68 Cb 0.04 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2pac s ASP 68 CO 0.00 -1.45 0.00 -0.90 -0.17 0.00 0.00 175.17 172.65 2pac n ASP 69 N -0.82 0.00 0.07 -0.34 5.75 -1.26 -4.63 116.55 115.33 2pac n ASP 69 Ca 0.09 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.78 2pac n ASP 69 Cb 0.44 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.43 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 0.08 0.05 0.11 4.39 -1.83 -2.58 114.58 114.80 2pac h GLU 70 Ca 0.00 -0.13 -0.30 0.00 0.34 0.00 0.00 59.36 59.27 2pac h GLU 70 Cb 0.00 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 2pac h GLU 70 CO 0.00 1.04 -1.65 0.00 -1.16 0.00 0.00 179.01 177.24 2pac h ALA 71 N 0.91 0.55 -0.79 3.43 0.00 -1.69 -3.21 119.26 118.45 2pac h ALA 71 Ca -0.04 -1.31 0.03 0.00 0.00 0.00 0.00 54.91 53.58 2pac h ALA 71 Cb 1.78 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 19.95 2pac h ALA 71 CO 0.15 1.39 0.51 0.37 0.00 0.00 0.00 179.25 181.67 2pac h GLN 72 N 0.03 0.97 -0.33 0.00 4.15 -1.82 0.44 115.11 118.56 2pac h GLN 72 Ca -0.28 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 58.95 2pac h GLN 72 Cb 2.00 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 29.46 2pac h GLN 72 CO 0.11 0.64 -0.32 1.15 -1.93 0.00 0.00 178.83 178.47 2pac h THR 73 N 0.99 1.29 0.00 2.39 2.02 -1.59 -2.56 112.91 115.45 2pac h THR 73 Ca 0.31 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 66.00 2pac h THR 73 Cb -0.00 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2pac h THR 73 CO -0.11 0.49 0.00 -0.07 0.37 0.00 0.00 175.52 176.20 2pac h LEU 74 N 0.58 0.00 0.00 2.58 -0.00 -1.43 -2.41 115.31 114.62 2pac h LEU 74 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2pac h LEU 74 Cb 0.90 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.56 2pac h LEU 74 CO 0.08 0.00 -0.38 0.00 -0.00 0.00 0.00 178.44 178.14 2pac h ALA 75 N 2.04 0.81 0.00 1.53 0.00 0.13 -2.36 119.26 121.40 2pac h ALA 75 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2pac h ALA 75 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2pac h ALA 75 CO 0.00 0.02 -0.44 -0.22 0.00 0.00 0.00 179.25 178.60 2pac h LYS 76 N 0.00 0.00 0.15 0.00 3.64 -1.03 -0.92 116.57 118.41 2pac h LYS 76 Ca -0.00 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.02 2pac h LYS 76 Cb 1.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2pac h LYS 76 CO 0.00 0.08 -1.87 2.35 -2.27 0.00 0.00 179.45 177.75 2pac h TRP 77 N 0.00 0.59 -0.07 1.91 7.01 -1.53 0.41 115.95 124.27 2pac h TRP 77 Ca -0.01 -0.43 0.02 0.00 2.11 0.00 0.00 58.89 60.58 2pac h TRP 77 Cb 1.09 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 28.10 2pac h TRP 77 CO 0.00 1.73 -0.05 0.28 -2.79 0.00 0.00 178.44 177.62 2pac h VAL 78 N 0.07 0.86 0.00 2.65 2.07 -1.47 -3.30 116.25 117.13 2pac h VAL 78 Ca -0.38 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2pac h VAL 78 Cb 2.05 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 2pac h VAL 78 CO 0.13 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.61 2pac n LEU 79 N -5.17 0.67 -4.54 2.57 0.00 -0.35 -4.41 117.00 105.77 2pac n LEU 79 Ca -0.05 0.29 -0.36 0.00 0.00 0.00 0.00 56.01 55.89 2pac n LEU 79 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.47 2pac n LEU 79 CO 0.28 0.00 2.02 -0.24 0.00 0.00 0.00 177.39 179.46 2pac n SER 80 N -0.40 2.06 -3.66 1.96 2.88 0.14 -4.63 113.62 111.98 2pac n SER 80 Ca 0.00 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.06 2pac n SER 80 Cb 0.00 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 61.95 2pac n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pac n GLN 81 N 8.93 1.30 0.00 -1.46 10.64 -1.25 -4.33 117.38 131.20 2pac n GLN 81 Ca 0.41 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.58 2pac n GLN 81 Cb 0.49 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.87 2pac n GLN 81 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40