#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 -1.74 0.16 4.31 8.00 -1.26 -4.99 116.55 121.04 2pac n ASP 2 Ca 0.00 -2.52 0.08 0.00 0.71 0.00 0.00 54.79 53.06 2pac n ASP 2 Cb 0.00 1.37 0.08 0.00 -0.02 0.00 0.00 41.12 42.55 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 2.77 0.00 0.00 -0.24 0.13 -1.96 -1.59 132.00 131.11 2pac h PRO 3 Ca -0.22 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.81 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 0.04 0.16 -0.63 0.93 -0.23 0.00 0.00 178.00 178.27 2pac h GLU 4 N 0.00 0.00 0.00 0.86 5.08 -1.96 0.15 114.58 118.71 2pac h GLU 4 Ca -0.02 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.12 2pac h GLU 4 Cb 1.15 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 2pac h GLU 4 CO 0.02 0.36 -1.26 0.28 -1.00 0.00 0.00 179.01 177.42 2pac h VAL 5 N 0.00 1.13 0.02 3.13 2.07 -1.94 -3.13 116.25 117.53 2pac h VAL 5 Ca -0.03 -2.82 -0.24 0.00 0.82 0.00 0.00 66.70 64.43 2pac h VAL 5 Cb 1.34 2.53 -0.03 0.00 -1.52 0.00 0.00 31.29 33.62 2pac h VAL 5 CO 0.05 0.64 -1.17 -0.07 0.02 0.00 0.00 177.57 177.04 2pac h LEU 6 N 0.00 0.08 -1.73 2.57 4.07 -1.27 -2.88 115.31 116.16 2pac h LEU 6 Ca -0.13 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 57.70 2pac h LEU 6 Cb 1.79 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 43.50 2pac h LEU 6 CO 0.09 1.08 -0.15 0.15 -1.08 0.00 0.00 178.44 178.53 2pac h PHE 7 N 0.01 0.00 -0.00 1.13 3.57 -0.74 -2.25 116.94 118.66 2pac h PHE 7 Ca -0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2pac h PHE 7 Cb 1.85 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.59 2pac h PHE 7 CO 0.01 0.15 -0.85 0.36 -2.23 0.00 0.00 178.31 175.75 2pac n LYS 8 N -3.59 0.21 -0.04 1.11 2.85 -1.19 -2.56 118.16 114.95 2pac n LYS 8 Ca -0.01 -0.17 -0.02 0.00 -1.05 0.00 0.00 58.31 57.05 2pac n LYS 8 Cb 0.28 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.16 2pac n LYS 8 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 2pac h ASN 9 N 0.41 0.00 -1.11 -5.58 -1.24 -1.19 -3.39 115.58 103.48 2pac h ASN 9 Ca 0.00 0.00 0.31 0.00 0.71 0.00 0.00 56.30 57.32 2pac h ASN 9 Cb 0.54 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 39.49 2pac h ASN 9 CO 0.00 0.45 0.71 0.11 -1.29 0.00 0.00 177.43 177.41 2pac h LYS 10 N -0.62 0.30 0.00 6.67 1.79 -1.71 -3.44 116.57 119.56 2pac h LYS 10 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2pac h LYS 10 Cb 0.28 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2pac h LYS 10 CO 0.00 0.20 0.00 0.41 -1.08 0.00 0.00 179.45 178.98 2pac n GLY 11 N -1.49 1.91 0.09 3.86 0.00 -1.26 -5.03 105.19 103.26 2pac n GLY 11 Ca 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.78 1.00 -0.03 0.00 3.14 -1.06 -1.74 118.33 114.87 2pac n VAL 13 Ca -0.07 0.25 0.23 0.00 -2.96 0.00 0.00 64.34 61.79 2pac n VAL 13 Cb 0.26 -1.15 0.72 0.00 -1.06 0.00 0.00 33.84 32.60 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 2.26 2.50 0.00 1.55 0.00 -1.83 -3.22 119.26 120.52 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 0.06 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2pac h ALA 14 CO 0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 179.25 178.38 2pac n HIS 16 N 0.00 -2.83 0.00 0.00 -0.00 -0.71 -3.06 115.22 108.61 2pac n HIS 16 Ca 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 57.72 57.15 2pac n HIS 16 Cb 0.52 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 30.36 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 -2.83 0.00 -0.09 -1.41 0.00 -1.26 -4.85 120.51 110.07 2pac n ALA 17 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 2pac n ALA 17 Cb 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.05 1.48 0.23 0.00 -6.64 -1.26 -2.75 119.36 110.37 2pac n ILE 18 Ca 0.00 0.08 0.12 0.00 -1.77 0.00 0.00 62.75 61.18 2pac n ILE 18 Cb 0.00 -2.27 0.22 0.00 -1.44 0.00 0.00 39.64 36.15 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 -4.49 3.50 -4.45 7.28 5.75 -1.26 -1.63 116.55 121.25 2pac n ASP 19 Ca -0.19 -1.99 -0.22 0.00 -0.01 0.00 0.00 54.79 52.38 2pac n ASP 19 Cb 0.49 -0.27 -0.10 0.00 -1.03 0.00 0.00 41.12 40.21 2pac n ASP 19 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2pac s THR 20 N -1.43 1.72 0.27 2.12 -4.23 -1.26 -5.05 115.64 107.78 2pac s THR 20 Ca 0.39 -2.13 0.04 0.00 -1.18 0.00 0.00 61.69 58.81 2pac s THR 20 Cb 0.23 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.52 2pac s THR 20 CO 0.31 -0.26 0.41 -0.75 -0.54 0.00 0.00 174.62 173.79 2pac s LYS 21 N -3.72 3.45 0.00 3.99 2.20 -1.26 -3.94 119.74 120.46 2pac s LYS 21 Ca 0.31 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 2pac s LYS 21 Cb 0.04 -2.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2pac s LYS 21 CO 0.13 0.36 0.00 -0.12 -0.36 0.00 0.00 175.35 175.36 2pac n MET 22 N -1.50 0.00 -0.14 4.03 1.56 -1.26 -4.96 117.12 114.85 2pac n MET 22 Ca -0.08 0.00 -0.11 0.00 -0.27 0.00 0.00 57.70 57.24 2pac n MET 22 Cb 0.57 0.00 0.01 0.00 2.15 0.00 0.00 33.22 35.94 2pac n MET 22 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2pac h VAL 23 N 0.00 1.27 -4.44 1.12 2.07 -1.93 -3.44 116.25 110.90 2pac h VAL 23 Ca 0.00 -1.44 -0.38 0.00 0.82 0.00 0.00 66.70 65.71 2pac h VAL 23 Cb 0.00 1.21 0.11 0.00 -1.52 0.00 0.00 31.29 31.09 2pac h VAL 23 CO 0.00 0.49 0.21 0.61 0.02 0.00 0.00 177.57 178.90 2pac n GLY 24 N -0.05 -0.29 3.81 2.17 0.00 -1.17 -4.99 105.19 104.68 2pac n GLY 24 Ca -0.01 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.77 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 -5.01 3.32 -0.15 1.61 0.04 -1.26 -4.89 135.00 128.66 2pac s PRO 25 Ca 0.59 -0.22 -0.31 0.00 0.04 0.00 0.00 61.00 61.10 2pac s PRO 25 Cb -0.02 -3.07 -0.08 0.00 0.04 0.00 0.00 34.50 31.36 2pac s PRO 25 CO 0.40 0.74 2.10 0.00 0.04 0.00 0.00 177.00 180.28 2pac n ALA 26 N 2.08 1.47 0.30 8.56 0.00 -1.25 -4.63 120.51 127.05 2pac n ALA 26 Ca -0.19 -0.01 0.19 0.00 0.00 0.00 0.00 53.44 53.42 2pac n ALA 26 Cb 0.54 -2.74 1.02 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 12.53 0.00 -0.06 0.00 -1.99 -1.11 0.02 116.97 126.36 2pac h TYR 27 Ca -0.43 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.13 2pac h TYR 27 Cb 1.26 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.00 2pac h TYR 27 CO 0.94 0.00 -0.63 -0.22 -0.00 0.00 0.00 178.16 178.25 2pac h LYS 28 N 0.00 0.53 -0.23 4.88 3.11 -1.71 0.23 116.57 123.39 2pac h LYS 28 Ca 0.02 -0.49 -0.09 0.00 -2.81 0.00 0.00 60.65 57.28 2pac h LYS 28 Cb 0.23 0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 2pac h LYS 28 CO -0.00 1.12 -0.24 -0.44 -2.81 0.00 0.00 179.45 177.08 2pac h ASP 29 N 0.12 0.43 0.47 4.20 5.19 -1.29 0.42 116.42 125.96 2pac h ASP 29 Ca -0.06 -0.14 -0.14 0.00 -0.62 0.00 0.00 57.03 56.08 2pac h ASP 29 Cb 1.30 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 2pac h ASP 29 CO 0.13 0.67 -0.60 0.58 -3.12 0.00 0.00 179.24 176.90 2pac h VAL 30 N 0.38 1.41 -0.54 -1.35 2.07 -1.09 -2.08 116.25 115.06 2pac h VAL 30 Ca 0.06 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2pac h VAL 30 Cb 0.63 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2pac h VAL 30 CO 0.05 0.58 0.00 0.00 0.02 0.00 0.00 177.57 178.22 2pac n ALA 31 N -2.45 2.65 -0.23 1.67 0.00 0.06 -2.24 120.51 119.98 2pac n ALA 31 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.34 2pac n ALA 31 Cb 0.61 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 1.00 1.85 0.01 0.00 0.00 0.14 -3.62 120.51 119.88 2pac n ALA 32 Ca 0.19 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2pac n ALA 32 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.21 0.00 -0.05 0.00 4.76 -0.83 -4.79 118.16 117.04 2pac n LYS 33 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 2pac n LYS 33 Cb 0.19 -0.44 -0.14 0.00 -1.84 0.00 0.00 35.03 32.80 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 -2.99 0.68 -2.50 2.13 3.72 -0.95 -5.05 117.46 112.49 2pac n PHE 34 Ca 0.00 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 2pac n PHE 34 Cb 0.40 -1.11 0.00 0.00 -0.94 0.00 0.00 39.48 37.83 2pac n PHE 34 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2pac n ALA 35 N -2.77 0.00 -0.84 4.37 0.00 -1.11 -2.26 120.51 117.90 2pac n ALA 35 Ca -0.27 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.02 2pac n ALA 35 Cb 1.07 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.56 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 0.00 3.89 0.23 0.00 0.00 -1.23 -3.35 105.19 104.72 2pac n GLY 36 Ca 0.00 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 45.15 2pac n GLY 36 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2pac h GLN 37 N 1.41 0.00 0.00 1.61 1.08 -1.76 -3.48 115.11 113.97 2pac h GLN 37 Ca 0.25 0.00 0.36 0.00 -1.45 0.00 0.00 58.65 57.81 2pac h GLN 37 Cb 0.92 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.26 2pac h GLN 37 CO 0.66 0.22 -0.48 0.00 -0.95 0.00 0.00 178.83 178.28 2pac n ALA 38 N -2.36 -3.57 0.00 3.87 0.00 -1.26 -4.85 120.51 112.34 2pac n ALA 38 Ca -0.02 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2pac n ALA 38 Cb 0.31 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -3.90 3.01 2.49 0.00 0.00 -1.26 -4.81 105.19 100.72 2pac n GLY 39 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.44 5.23 -1.11 4.61 0.00 -1.26 -4.64 120.51 122.90 2pac n ALA 40 Ca 0.00 -4.27 0.08 0.00 0.00 0.00 0.00 53.44 49.25 2pac n ALA 40 Cb 0.00 -0.68 0.20 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.51 2.08 -0.03 0.00 0.28 -1.26 -4.28 120.64 116.93 2pac n GLU 41 Ca 0.41 -2.80 -0.03 0.00 -0.16 0.00 0.00 57.16 54.58 2pac n GLU 41 Cb 0.64 -1.69 -0.01 0.00 1.43 0.00 0.00 31.44 31.80 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 -0.98 0.55 1.42 -1.84 0.00 -1.26 -3.89 120.51 114.50 2pac n ALA 42 Ca 0.20 -0.43 0.12 0.00 0.00 0.00 0.00 53.44 53.33 2pac n ALA 42 Cb 0.80 0.02 0.69 0.00 0.00 0.00 0.00 19.45 20.96 2pac n ALA 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pac n GLU 43 N -3.22 0.65 0.03 0.00 -0.58 -1.26 -1.76 120.64 114.49 2pac n GLU 43 Ca -0.05 0.02 -0.15 0.00 -0.42 0.00 0.00 57.16 56.56 2pac n GLU 43 Cb 0.18 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.41 2pac n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2pac h LEU 44 N 0.00 0.27 -0.70 -4.62 7.12 -1.79 -2.96 115.31 112.63 2pac h LEU 44 Ca 0.00 -0.46 -0.07 0.00 0.13 0.00 0.00 57.88 57.48 2pac h LEU 44 Cb 0.06 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.09 2pac h LEU 44 CO 0.00 1.40 -0.33 0.00 -0.13 0.00 0.00 178.44 179.38 2pac h ALA 45 N 0.56 0.91 0.00 1.25 0.00 -1.46 -2.60 119.26 117.92 2pac h ALA 45 Ca -0.29 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2pac h ALA 45 Cb 2.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.75 2pac h ALA 45 CO 0.12 0.42 -0.11 1.96 0.00 0.00 0.00 179.25 181.64 2pac h GLN 46 N 0.00 0.00 -0.01 0.00 4.20 -1.48 -2.99 115.11 114.83 2pac h GLN 46 Ca -0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 2pac h GLN 46 Cb 0.98 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 2pac h GLN 46 CO 0.04 0.00 -0.81 0.00 -0.67 0.00 0.00 178.83 177.39 2pac h ARG 47 N 0.00 0.15 0.00 1.46 3.08 -1.29 0.42 114.38 118.20 2pac h ARG 47 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2pac h ARG 47 Cb 0.91 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2pac h ARG 47 CO 0.00 0.88 0.00 0.82 -1.07 0.00 0.00 179.97 180.60 2pac h ILE 48 N 0.09 0.00 -0.01 2.04 2.04 -1.43 0.88 117.51 121.13 2pac h ILE 48 Ca -0.03 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2pac h ILE 48 Cb 1.42 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 2pac h ILE 48 CO 0.12 0.00 -0.02 1.17 0.00 0.00 0.00 178.15 179.42 2pac n LYS 49 N -2.51 0.31 0.00 2.37 4.81 -1.02 -3.52 118.16 118.60 2pac n LYS 49 Ca 0.04 -0.82 0.00 0.00 -0.87 0.00 0.00 58.31 56.66 2pac n LYS 49 Cb 0.39 -1.10 0.00 0.00 0.02 0.00 0.00 35.03 34.34 2pac n LYS 49 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2pac n ASN 50 N 0.26 0.01 -0.65 3.14 3.02 0.15 -2.76 115.26 118.43 2pac n ASN 50 Ca 0.04 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2pac n ASN 50 Cb 0.16 0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 2pac n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pac n GLY 51 N 0.24 -3.91 3.74 7.41 0.00 0.30 -4.58 105.19 108.40 2pac n GLY 51 Ca 0.00 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 2pac n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pac s SER 52 N -0.92 4.61 -0.30 1.61 0.15 -1.25 -4.70 113.70 112.90 2pac s SER 52 Ca 0.00 -0.87 -0.09 0.00 0.70 0.00 0.00 55.95 55.69 2pac s SER 52 Cb 0.00 -0.63 0.18 0.00 -1.71 0.00 0.00 66.02 63.87 2pac s SER 52 CO 0.00 -0.40 0.94 0.00 1.20 0.00 0.00 173.24 174.98 2pac s GLN 53 N -3.88 0.27 0.00 5.44 -2.07 -1.26 -3.53 119.66 114.62 2pac s GLN 53 Ca 0.39 0.39 0.00 0.00 -1.82 0.00 0.00 55.36 54.33 2pac s GLN 53 Cb -0.01 0.21 0.00 0.00 -1.09 0.00 0.00 33.01 32.12 2pac s GLN 53 CO 0.23 -0.37 0.00 0.41 -1.32 0.00 0.00 175.29 174.24 2pac n GLY 54 N 5.37 0.33 1.58 2.60 0.00 -1.25 -5.00 105.19 108.82 2pac n GLY 54 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.26 -0.06 1.61 0.31 -1.26 -4.97 118.33 114.21 2pac n VAL 55 Ca 0.00 0.09 -0.10 0.00 -0.01 0.00 0.00 64.34 64.31 2pac n VAL 55 Cb 0.00 -0.69 -0.05 0.00 -0.91 0.00 0.00 33.84 32.19 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 -2.98 0.00 -3.75 3.52 7.02 -1.26 -5.09 117.44 114.90 2pac n TRP 56 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 2pac n TRP 56 Cb 0.00 -0.48 -0.02 0.00 -2.42 0.00 0.00 31.31 28.39 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 -5.22 -0.20 0.00 6.99 0.00 -1.26 -5.18 107.32 102.46 2pac s GLY 57 Ca -0.17 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.42 2pac s GLY 57 CO 0.27 -0.06 0.00 -1.55 0.00 0.00 0.00 173.10 171.76 2pac n PRO 58 N -0.43 1.58 -1.36 2.90 -0.05 -1.26 -3.85 135.00 132.53 2pac n PRO 58 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.38 2pac n PRO 58 Cb 0.61 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 34.06 2pac n PRO 58 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 2pac n ILE 59 N -0.35 -5.64 -2.52 0.52 5.41 -1.26 -4.89 119.36 110.64 2pac n ILE 59 Ca 0.00 1.02 -0.43 0.00 1.00 0.00 0.00 62.75 64.34 2pac n ILE 59 Cb 0.00 -3.85 -0.02 0.00 -0.71 0.00 0.00 39.64 35.06 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 -1.68 4.32 0.37 0.38 0.04 -1.26 -4.70 135.00 132.47 2pac s PRO 60 Ca 0.00 1.58 -0.27 0.00 0.04 0.00 0.00 61.00 62.34 2pac s PRO 60 Cb 0.00 -3.63 -0.09 0.00 0.04 0.00 0.00 34.50 30.82 2pac s PRO 60 CO 0.00 -0.53 1.28 1.41 0.04 0.00 0.00 177.00 179.21 2pac s MET 61 N 2.70 4.19 -0.51 4.56 -2.45 -1.23 -4.84 119.30 121.72 2pac s MET 61 Ca 0.52 2.14 -0.36 0.00 -1.25 0.00 0.00 55.69 56.75 2pac s MET 61 Cb -0.21 -2.91 -0.15 0.00 1.25 0.00 0.00 34.83 32.81 2pac s MET 61 CO 0.17 -0.30 2.29 -2.30 1.05 0.00 0.00 175.02 175.92 2pac n PRO 62 N 0.48 0.63 -2.00 4.11 -0.02 -1.26 -3.29 135.00 133.65 2pac n PRO 62 Ca 0.02 0.14 -0.37 0.00 -2.02 0.00 0.00 63.50 61.27 2pac n PRO 62 Cb 0.43 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 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 6.84 2.57 0.00 0.52 0.04 -1.26 -4.59 135.00 139.12 2pac s PRO 63 Ca 1.15 0.59 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2pac s PRO 63 Cb -1.01 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 29.06 2pac s PRO 63 CO 0.51 -2.84 0.00 0.09 0.04 0.00 0.00 177.00 174.79 2pac n ASN 64 N 13.14 -1.09 -3.26 6.66 5.03 -1.11 -4.77 115.26 129.85 2pac n ASN 64 Ca 0.23 -0.19 -0.05 0.00 0.87 0.00 0.00 54.58 55.44 2pac n ASN 64 Cb 0.52 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.24 2pac n ASN 64 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pac s ALA 65 N -2.53 -1.61 0.00 5.41 0.00 -1.26 -4.62 121.76 117.15 2pac s ALA 65 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2pac s ALA 65 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.75 2pac s ALA 65 CO 0.00 -2.02 0.00 0.28 0.00 0.00 0.00 175.76 174.02 2pac n VAL 66 N 4.78 0.00 -2.64 0.00 0.31 -1.26 -5.10 118.33 114.41 2pac n VAL 66 Ca 0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.38 2pac n VAL 66 Cb 0.52 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.55 2pac n VAL 66 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2pac n SER 67 N 0.00 -1.25 -0.81 4.52 7.64 -1.26 -5.13 113.62 117.33 2pac n SER 67 Ca 0.00 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.87 2pac n SER 67 Cb 0.00 0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2pac n SER 67 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2pac n ASP 68 N -1.17 -4.42 -2.14 6.43 2.03 -1.26 -5.01 116.55 111.01 2pac n ASP 68 Ca -0.14 0.91 -0.01 0.00 0.52 0.00 0.00 54.79 56.07 2pac n ASP 68 Cb 0.80 -2.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.12 2pac n ASP 68 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2pac n ASP 69 N -1.88 -5.09 0.00 1.67 -0.08 -1.26 -4.76 116.55 105.14 2pac n ASP 69 Ca 0.00 0.65 0.00 0.00 -1.51 0.00 0.00 54.79 53.93 2pac n ASP 69 Cb 0.21 -3.24 0.00 0.00 2.34 0.00 0.00 41.12 40.43 2pac n ASP 69 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2pac n GLU 70 N 0.21 0.00 -0.03 -0.67 -0.58 -1.26 -4.82 120.64 113.50 2pac n GLU 70 Ca 0.01 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.76 2pac n GLU 70 Cb 0.05 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.77 2pac n GLU 70 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2pac n ALA 71 N 0.00 2.11 -0.06 0.62 0.00 -1.26 -3.60 120.51 118.32 2pac n ALA 71 Ca 0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 53.44 52.55 2pac n ALA 71 Cb 0.00 -0.60 0.10 0.00 0.00 0.00 0.00 19.45 18.96 2pac n ALA 71 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2pac h GLN 72 N 0.00 0.71 -0.13 0.00 4.15 -1.88 -0.88 115.11 117.08 2pac h GLN 72 Ca -0.24 -0.29 -0.09 0.00 0.77 0.00 0.00 58.65 58.79 2pac h GLN 72 Cb 1.60 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.26 2pac h GLN 72 CO 0.02 0.89 -0.29 1.15 -1.93 0.00 0.00 178.83 178.68 2pac h THR 73 N 0.61 1.37 -0.88 2.39 2.02 -1.94 -2.43 112.91 114.05 2pac h THR 73 Ca 0.08 -1.56 0.02 0.00 0.77 0.00 0.00 66.41 65.72 2pac h THR 73 Cb 0.75 2.04 -0.05 0.00 -1.74 0.00 0.00 68.15 69.15 2pac h THR 73 CO 0.06 0.46 0.57 -0.07 0.37 0.00 0.00 175.52 176.91 2pac h LEU 74 N 0.03 0.97 -1.19 2.58 4.07 -1.59 -0.88 115.31 119.30 2pac h LEU 74 Ca 0.00 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 2pac h LEU 74 Cb 0.88 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.38 2pac h LEU 74 CO 0.06 0.68 -0.30 0.00 -1.08 0.00 0.00 178.44 177.81 2pac h ALA 75 N 1.35 1.32 0.00 1.53 0.00 -1.14 -1.92 119.26 120.39 2pac h ALA 75 Ca 0.34 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2pac h ALA 75 Cb -0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2pac h ALA 75 CO -0.10 0.47 -0.10 -0.22 0.00 0.00 0.00 179.25 179.30 2pac h LYS 76 N 0.16 0.00 0.00 0.00 3.11 -0.79 -2.28 116.57 116.78 2pac h LYS 76 Ca 0.02 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.74 2pac h LYS 76 Cb 0.61 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.83 2pac h LYS 76 CO 0.04 0.10 -0.57 2.35 -2.81 0.00 0.00 179.45 178.57 2pac h TRP 77 N 0.00 0.00 0.03 1.91 7.01 -0.42 -0.44 115.95 124.05 2pac h TRP 77 Ca -0.00 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 2pac h TRP 77 Cb 0.91 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.97 2pac h TRP 77 CO 0.00 0.57 -0.02 0.28 -2.79 0.00 0.00 178.44 176.48 2pac h VAL 78 N 0.00 1.29 0.00 2.65 2.07 -1.24 -3.37 116.25 117.65 2pac h VAL 78 Ca -0.01 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.77 2pac h VAL 78 Cb 1.41 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 2pac h VAL 78 CO 0.07 0.40 0.00 0.18 0.02 0.00 0.00 177.57 178.24 2pac n LEU 79 N -4.73 0.00 -4.77 2.57 7.99 -0.88 -3.48 117.00 113.69 2pac n LEU 79 Ca -0.08 0.93 -0.37 0.00 -0.01 0.00 0.00 56.01 56.48 2pac n LEU 79 Cb 0.34 -0.43 -0.07 0.00 -0.11 0.00 0.00 43.42 43.15 2pac n LEU 79 CO 0.27 -0.43 -0.03 -0.94 -1.51 0.00 0.00 177.39 174.76 2pac s SER 80 N -2.47 6.49 0.67 -1.43 1.04 -0.18 -3.38 113.70 114.45 2pac s SER 80 Ca 0.00 0.58 -0.00 0.00 0.48 0.00 0.00 55.95 57.00 2pac s SER 80 Cb 0.00 -2.17 0.12 0.00 0.10 0.00 0.00 66.02 64.06 2pac s SER 80 CO 0.00 0.20 0.80 0.00 0.98 0.00 0.00 173.24 175.22 2pac n GLN 81 N 2.97 0.01 -0.43 4.02 -0.00 -1.26 -4.10 117.38 118.59 2pac n GLN 81 Ca -0.14 -2.15 0.00 0.00 -0.00 0.00 0.00 57.00 54.71 2pac n GLN 81 Cb 0.52 -0.54 0.00 0.00 -0.00 0.00 0.00 30.24 30.22 2pac n GLN 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23