#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 0.11 1.62 2.03 -1.26 -4.95 116.55 114.10 2pac n ASP 2 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 2pac n ASP 2 Cb 0.00 0.00 0.47 0.00 -0.72 0.00 0.00 41.12 40.87 2pac n ASP 2 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2pac n PRO 3 N 0.00 0.17 0.07 -0.67 -0.05 -1.26 -1.62 135.00 131.65 2pac n PRO 3 Ca 0.00 0.39 -0.06 0.00 -0.05 0.00 0.00 63.50 63.78 2pac n PRO 3 Cb 0.00 -1.82 -0.07 0.00 -0.05 0.00 0.00 33.50 31.56 2pac n PRO 3 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 175.50 176.38 2pac h GLU 4 N 0.00 0.02 0.00 0.54 5.08 -1.98 0.21 114.58 118.45 2pac h GLU 4 Ca 0.00 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2pac h GLU 4 Cb 0.36 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2pac h GLU 4 CO 0.00 0.94 -0.83 0.28 -1.00 0.00 0.00 179.01 178.40 2pac h VAL 5 N 0.01 1.02 0.00 3.13 2.07 -1.75 -3.11 116.25 117.62 2pac h VAL 5 Ca -0.01 -2.51 -0.21 0.00 0.82 0.00 0.00 66.70 64.79 2pac h VAL 5 Cb 1.66 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 33.86 2pac h VAL 5 CO 0.12 0.58 -1.11 -0.07 0.02 0.00 0.00 177.57 177.12 2pac h LEU 6 N 0.00 0.00 -1.47 2.57 3.38 -1.22 -2.53 115.31 116.04 2pac h LEU 6 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2pac h LEU 6 Cb 1.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 2pac h LEU 6 CO 0.08 0.87 -0.15 0.15 0.09 0.00 0.00 178.44 179.48 2pac h PHE 7 N 0.00 0.00 -0.01 1.13 3.57 -0.57 -2.30 116.94 118.76 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 1.74 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.48 2pac h PHE 7 CO 0.00 0.15 -0.42 0.36 -2.23 0.00 0.00 178.31 176.18 2pac n LYS 8 N -3.40 1.50 -0.03 1.11 2.85 -1.18 -2.62 118.16 116.39 2pac n LYS 8 Ca -0.00 -0.82 -0.01 0.00 -1.05 0.00 0.00 58.31 56.42 2pac n LYS 8 Cb 0.34 -1.35 -0.00 0.00 -0.65 0.00 0.00 35.03 33.37 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 1.89 0.00 -0.22 -5.58 -0.00 -0.97 -3.40 115.58 107.30 2pac h ASN 9 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 56.30 56.36 2pac h ASN 9 Cb 0.61 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.86 2pac h ASN 9 CO 0.00 0.28 -0.24 0.50 -0.00 0.00 0.00 177.43 177.97 2pac h LYS 10 N -0.40 -0.25 0.00 6.67 3.64 -1.72 -3.46 116.57 121.05 2pac h LYS 10 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2pac h LYS 10 Cb 0.15 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2pac h LYS 10 CO 0.00 -0.17 0.00 0.41 -2.27 0.00 0.00 179.45 177.42 2pac n GLY 11 N -1.37 0.81 0.25 5.01 0.00 -1.26 -5.04 105.19 103.58 2pac n GLY 11 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.32 0.97 0.13 0.00 3.14 -1.08 -1.49 118.33 115.69 2pac n VAL 13 Ca 0.00 0.24 0.19 0.00 -2.96 0.00 0.00 64.34 61.81 2pac n VAL 13 Cb 0.34 -1.10 0.77 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 2.38 2.00 0.00 1.55 0.00 -1.77 -3.15 119.26 120.27 2pac h ALA 14 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pac h ALA 14 Cb 0.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2pac h ALA 14 CO 0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 179.25 178.64 2pac s HIS 16 N 0.00 2.57 0.06 0.00 4.02 -0.56 -2.42 115.29 118.97 2pac s HIS 16 Ca 0.00 -0.40 -0.18 0.00 1.02 0.00 0.00 55.06 55.50 2pac s HIS 16 Cb 0.00 -1.45 0.04 0.00 -1.02 0.00 0.00 32.58 30.14 2pac s HIS 16 CO 0.00 0.49 0.41 0.00 1.02 0.00 0.00 174.74 176.65 2pac s ALA 17 N -2.48 -0.98 -0.11 -1.40 0.00 -1.26 -4.58 121.76 110.95 2pac s ALA 17 Ca 0.35 0.23 0.16 0.00 0.00 0.00 0.00 51.96 52.70 2pac s ALA 17 Cb -0.01 0.41 -0.16 0.00 0.00 0.00 0.00 23.12 23.35 2pac s ALA 17 CO 0.20 -0.49 0.76 0.44 0.00 0.00 0.00 175.76 176.67 2pac n ILE 18 N 0.37 1.25 -1.80 0.00 -6.64 -1.26 -2.16 119.36 109.12 2pac n ILE 18 Ca -0.18 -0.71 0.04 0.00 -1.77 0.00 0.00 62.75 60.12 2pac n ILE 18 Cb 0.60 -0.77 0.06 0.00 -1.44 0.00 0.00 39.64 38.09 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 -2.90 0.90 -3.92 7.28 5.68 -1.26 -1.45 116.55 120.88 2pac n ASP 19 Ca -0.12 -2.44 -0.08 0.00 -0.50 0.00 0.00 54.79 51.65 2pac n ASP 19 Cb 0.88 -0.30 -0.08 0.00 -1.14 0.00 0.00 41.12 40.48 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 -1.01 0.16 -0.14 2.12 2.01 -1.26 -5.07 115.64 112.45 2pac s THR 20 Ca 0.17 -1.35 0.02 0.00 0.31 0.00 0.00 61.69 60.83 2pac s THR 20 Cb 0.16 -1.40 0.01 0.00 0.01 0.00 0.00 72.50 71.29 2pac s THR 20 CO -0.02 -0.73 -0.19 -0.75 -0.69 0.00 0.00 174.62 172.23 2pac s LYS 21 N -3.88 2.74 0.00 4.92 2.36 -1.26 -3.90 119.74 120.71 2pac s LYS 21 Ca 0.06 -0.75 0.00 0.00 -2.55 0.00 0.00 55.97 52.73 2pac s LYS 21 Cb 0.06 -2.28 0.00 0.00 -1.05 0.00 0.00 37.83 34.56 2pac s LYS 21 CO -0.10 -0.08 0.00 -1.33 1.55 0.00 0.00 175.35 175.39 2pac n MET 22 N 4.25 0.00 -0.05 4.03 2.81 -1.26 -4.99 117.12 121.90 2pac n MET 22 Ca -0.20 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.50 2pac n MET 22 Cb 0.51 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.89 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 0.00 1.65 -3.34 2.03 0.31 -1.09 -4.97 118.33 112.92 2pac n VAL 23 Ca 0.00 -0.64 -0.20 0.00 -0.01 0.00 0.00 64.34 63.49 2pac n VAL 23 Cb 0.00 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 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 -5.92 2.04 0.56 2.92 0.00 -1.02 -4.79 107.32 101.11 2pac s GLY 24 Ca -0.26 -1.79 -0.17 0.00 0.00 0.00 0.00 44.72 42.49 2pac s GLY 24 CO 0.71 -1.66 1.05 2.56 0.00 0.00 0.00 173.10 175.76 2pac s PRO 25 N -4.31 3.48 0.25 2.90 0.04 -1.26 -4.71 135.00 131.39 2pac s PRO 25 Ca 0.51 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 2pac s PRO 25 Cb -0.06 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 2pac s PRO 25 CO 0.31 -0.68 1.07 0.00 0.04 0.00 0.00 177.00 177.73 2pac s ALA 26 N -2.29 3.39 0.31 8.56 0.00 -1.25 -4.47 121.76 126.00 2pac s ALA 26 Ca 0.65 0.82 0.22 0.00 0.00 0.00 0.00 51.96 53.65 2pac s ALA 26 Cb -0.16 -3.31 1.04 0.00 0.00 0.00 0.00 23.12 20.69 2pac s ALA 26 CO 0.31 -0.10 1.91 1.88 0.00 0.00 0.00 175.76 179.76 2pac h TYR 27 N 4.17 0.00 0.00 0.00 -1.99 -1.46 -1.04 116.97 116.65 2pac h TYR 27 Ca -0.46 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.21 2pac h TYR 27 Cb 1.21 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.93 2pac h TYR 27 CO 0.60 0.24 -0.30 -0.22 -0.00 0.00 0.00 178.16 178.48 2pac h LYS 28 N 0.00 0.00 0.15 4.88 3.64 -1.53 0.35 116.57 124.05 2pac h LYS 28 Ca -0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 2pac h LYS 28 Cb 0.58 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.42 2pac h LYS 28 CO 0.03 0.30 -1.08 -0.44 -2.27 0.00 0.00 179.45 175.99 2pac h ASP 29 N 0.00 0.48 0.20 4.20 3.32 -1.64 -1.59 116.42 121.40 2pac h ASP 29 Ca -0.00 -0.92 -0.03 0.00 0.02 0.00 0.00 57.03 56.10 2pac h ASP 29 Cb 0.96 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 2pac h ASP 29 CO 0.04 1.50 -0.14 0.58 -1.72 0.00 0.00 179.24 179.50 2pac h VAL 30 N -0.30 0.92 -0.07 -1.35 2.07 -1.10 0.25 116.25 116.66 2pac h VAL 30 Ca -0.21 -0.51 -0.18 0.00 0.82 0.00 0.00 66.70 66.62 2pac h VAL 30 Cb 1.74 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 2pac h VAL 30 CO 0.13 0.14 -0.71 0.00 0.02 0.00 0.00 177.57 177.15 2pac h ALA 31 N 1.86 0.64 0.00 1.67 0.00 -0.26 -2.47 119.26 120.69 2pac h ALA 31 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2pac h ALA 31 Cb 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2pac h ALA 31 CO 0.02 0.77 0.00 0.00 0.00 0.00 0.00 179.25 180.04 2pac n ALA 32 N -2.50 1.28 -3.30 0.00 0.00 0.06 -2.07 120.51 113.98 2pac n ALA 32 Ca -0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.20 2pac n ALA 32 Cb 0.70 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 2pac n ALA 32 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2pac s LYS 33 N -2.99 0.74 0.00 0.00 1.02 -0.93 -4.86 119.74 112.72 2pac s LYS 33 Ca 0.03 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 54.87 2pac s LYS 33 Cb 0.04 -0.80 0.00 0.00 -0.52 0.00 0.00 37.83 36.55 2pac s LYS 33 CO 0.11 -1.25 0.00 1.19 -0.92 0.00 0.00 175.35 174.48 2pac n PHE 34 N 3.82 0.00 -0.53 3.18 3.72 -1.22 -4.82 117.46 121.60 2pac n PHE 34 Ca 0.16 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.39 2pac n PHE 34 Cb 0.46 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.11 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 0.00 4.66 -2.01 4.37 0.00 -0.88 -1.94 120.51 124.71 2pac n ALA 35 Ca 0.00 -1.94 -0.05 0.00 0.00 0.00 0.00 53.44 51.45 2pac n ALA 35 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 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 -0.51 0.48 0.00 0.00 0.00 -1.26 -4.76 105.19 99.15 2pac n GLY 36 Ca 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2pac n GLY 36 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2pac n GLN 37 N -0.16 0.00 0.00 1.61 -0.06 -1.24 -5.09 117.38 112.43 2pac n GLN 37 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.78 2pac n GLN 37 Cb 0.65 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.83 2pac n GLN 37 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2pac n ALA 38 N 0.00 0.00 -0.73 1.69 0.00 -0.82 -4.90 120.51 115.76 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 0.68 2.69 0.00 0.00 -1.26 -4.68 105.19 102.62 2pac n GLY 39 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2pac n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pac s ALA 40 N -2.70 -4.24 -0.00 4.61 0.00 -1.26 -5.00 121.76 113.17 2pac s ALA 40 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.50 2pac s ALA 40 Cb 0.00 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 20.17 2pac s ALA 40 CO 0.00 -2.50 0.91 -0.85 0.00 0.00 0.00 175.76 173.33 2pac n GLU 41 N 2.72 2.42 -0.05 0.00 -0.00 -1.26 -4.28 120.64 120.19 2pac n GLU 41 Ca 0.12 -1.34 -0.05 0.00 -0.00 0.00 0.00 57.16 55.89 2pac n GLU 41 Cb 0.64 -0.92 -0.02 0.00 -0.00 0.00 0.00 31.44 31.14 2pac n GLU 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2pac n ALA 42 N -0.43 0.86 1.77 -1.84 0.00 -1.26 -3.90 120.51 115.72 2pac n ALA 42 Ca 0.00 -0.54 0.13 0.00 0.00 0.00 0.00 53.44 53.03 2pac n ALA 42 Cb 0.30 0.04 0.79 0.00 0.00 0.00 0.00 19.45 20.58 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 -3.69 0.89 0.02 0.00 1.02 -1.26 -1.91 120.64 115.70 2pac n GLU 43 Ca -0.08 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.92 2pac n GLU 43 Cb 0.30 -1.47 -0.14 0.00 -0.02 0.00 0.00 31.44 30.11 2pac n GLU 43 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2pac h LEU 44 N 0.00 0.25 -0.79 -4.62 7.12 -1.78 -2.97 115.31 112.52 2pac h LEU 44 Ca 0.00 -0.42 -0.06 0.00 0.13 0.00 0.00 57.88 57.53 2pac h LEU 44 Cb 0.00 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.04 2pac h LEU 44 CO 0.00 1.37 -0.27 0.00 -0.13 0.00 0.00 178.44 179.41 2pac h ALA 45 N 0.60 0.94 0.00 1.25 0.00 -1.50 -2.48 119.26 118.07 2pac h ALA 45 Ca -0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2pac h ALA 45 Cb 2.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 2pac h ALA 45 CO 0.12 0.34 -0.07 0.37 0.00 0.00 0.00 179.25 180.01 2pac h GLN 46 N 0.00 0.00 -0.08 0.00 -0.00 -1.48 -2.89 115.11 110.67 2pac h GLN 46 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.46 2pac h GLN 46 Cb 0.90 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.38 2pac h GLN 46 CO 0.03 0.07 -0.74 0.00 0.00 0.00 0.00 178.83 178.19 2pac h ARG 47 N 0.00 0.42 0.00 1.69 2.47 -1.28 0.65 114.38 118.34 2pac h ARG 47 Ca -0.00 -0.35 -0.03 0.00 -1.26 0.00 0.00 59.98 58.34 2pac h ARG 47 Cb 0.97 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.36 2pac h ARG 47 CO 0.01 0.99 -0.12 0.82 0.56 0.00 0.00 179.97 182.23 2pac h ILE 48 N 0.29 0.59 -0.02 2.04 2.04 -1.41 0.15 117.51 121.19 2pac h ILE 48 Ca -0.03 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.28 2pac h ILE 48 Cb 1.32 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 2pac h ILE 48 CO 0.13 0.12 0.00 2.29 0.00 0.00 0.00 178.15 180.69 2pac n LYS 49 N -3.66 0.13 0.00 2.37 2.85 -1.06 -4.62 118.16 114.17 2pac n LYS 49 Ca -0.02 -0.85 0.00 0.00 -1.05 0.00 0.00 58.31 56.40 2pac n LYS 49 Cb 0.24 -1.04 0.00 0.00 -0.65 0.00 0.00 35.03 33.58 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 0.01 0.26 -0.27 -5.58 5.15 0.23 -3.61 115.26 111.44 2pac n ASN 50 Ca 0.01 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.37 2pac n ASN 50 Cb 0.10 0.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.62 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 0.26 -3.03 0.00 8.20 0.00 0.49 -4.53 105.19 106.59 2pac n GLY 51 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.65 0.00 -2.59 1.61 7.64 -1.23 -4.77 113.62 112.64 2pac n SER 52 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 2pac n SER 52 Cb 0.08 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.40 2pac n SER 52 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2pac n GLN 53 N 0.00 1.30 -2.00 1.43 0.00 -1.26 -4.59 117.38 112.26 2pac n GLN 53 Ca 0.00 -1.18 -0.02 0.00 -0.00 0.00 0.00 57.00 55.80 2pac n GLN 53 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 30.24 30.67 2pac n GLN 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2pac n GLY 54 N -1.48 -0.81 0.14 1.69 0.00 -1.26 -4.93 105.19 98.54 2pac n GLY 54 Ca -0.18 0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.74 1.69 -0.04 1.61 0.31 -1.26 -4.42 118.33 115.48 2pac n VAL 55 Ca 0.03 -0.60 0.03 0.00 -0.01 0.00 0.00 64.34 63.78 2pac n VAL 55 Cb 0.28 -1.67 -0.16 0.00 -0.91 0.00 0.00 33.84 31.39 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 -3.48 0.08 0.00 3.52 7.02 -1.26 -5.04 117.44 118.28 2pac n TRP 56 Ca -0.36 0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.14 2pac n TRP 56 Cb 1.01 -0.73 0.00 0.00 -2.42 0.00 0.00 31.31 29.17 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 1.45 1.50 3.26 6.99 0.00 -1.26 -5.14 105.19 111.98 2pac n GLY 57 Ca -0.15 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.51 -1.13 1.61 -0.02 -1.26 -4.77 135.00 127.93 2pac n PRO 58 Ca 0.00 -0.42 -0.36 0.00 -2.02 0.00 0.00 63.50 60.70 2pac n PRO 58 Cb 0.00 -1.66 0.07 0.00 -0.02 0.00 0.00 33.50 31.90 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 -4.37 1.09 -1.72 4.25 0.13 -1.26 -4.30 119.36 113.19 2pac n ILE 59 Ca 0.00 -0.37 -0.31 0.00 -1.10 0.00 0.00 62.75 60.98 2pac n ILE 59 Cb 0.63 -0.60 0.03 0.00 -0.84 0.00 0.00 39.64 38.87 2pac n ILE 59 CO 0.00 0.00 0.00 -2.16 2.80 0.00 0.00 176.55 177.19 2pac s PRO 60 N -2.78 3.26 0.17 9.51 0.04 -1.26 -4.72 135.00 139.22 2pac s PRO 60 Ca 0.61 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 62.18 2pac s PRO 60 Cb -0.31 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.09 2pac s PRO 60 CO 0.63 -0.84 1.57 1.41 0.04 0.00 0.00 177.00 179.80 2pac s MET 61 N -5.11 4.21 -0.26 4.56 -2.45 -1.26 -4.76 119.30 114.23 2pac s MET 61 Ca 0.57 2.37 -0.37 0.00 -1.25 0.00 0.00 55.69 57.01 2pac s MET 61 Cb -0.13 -3.15 -0.13 0.00 1.25 0.00 0.00 34.83 32.68 2pac s MET 61 CO 0.55 -0.60 1.96 -0.35 1.05 0.00 0.00 175.02 177.62 2pac n PRO 62 N 3.86 1.37 -1.83 4.11 -0.04 -1.26 -3.47 135.00 137.73 2pac n PRO 62 Ca 0.13 0.46 -0.42 0.00 -0.04 0.00 0.00 63.50 63.64 2pac n PRO 62 Cb 0.38 -2.37 -0.03 0.00 -0.04 0.00 0.00 33.50 31.44 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 4.75 3.07 0.00 0.54 0.04 -1.26 -4.53 135.00 137.60 2pac s PRO 63 Ca 1.02 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.59 2pac s PRO 63 Cb -0.90 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 29.33 2pac s PRO 63 CO 0.56 -2.18 0.00 0.09 0.04 0.00 0.00 177.00 175.51 2pac n ASN 64 N 11.58 0.00 -3.45 6.66 3.02 -1.24 -4.91 115.26 126.93 2pac n ASN 64 Ca 0.26 -0.09 -0.22 0.00 -0.03 0.00 0.00 54.58 54.50 2pac n ASN 64 Cb 0.48 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.53 2pac n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pac s ALA 65 N -2.37 -0.00 0.42 5.41 0.00 -1.26 -4.48 121.76 119.47 2pac s ALA 65 Ca 0.00 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.30 2pac s ALA 65 Cb 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 2pac s ALA 65 CO 0.00 -1.75 0.33 0.08 0.00 0.00 0.00 175.76 174.42 2pac s VAL 66 N 2.12 2.54 -0.44 0.00 1.01 -1.26 -5.01 120.40 119.35 2pac s VAL 66 Ca 0.10 -1.44 0.08 0.00 0.00 0.00 0.00 61.98 60.72 2pac s VAL 66 Cb -0.15 -2.98 0.54 0.00 0.00 0.00 0.00 36.38 33.78 2pac s VAL 66 CO -0.30 0.00 1.41 -1.20 0.00 0.00 0.00 175.10 175.02 2pac n SER 67 N -1.47 4.08 -3.60 3.32 7.64 -1.26 -4.90 113.62 117.43 2pac n SER 67 Ca 0.02 -2.74 -0.26 0.00 1.01 0.00 0.00 58.87 56.91 2pac n SER 67 Cb 0.63 -0.65 0.04 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.19 -4.53 0.03 6.43 2.03 -1.26 -4.83 116.55 114.61 2pac n ASP 68 Ca 0.24 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.64 2pac n ASP 68 Cb 0.99 -3.91 0.00 0.00 -0.72 0.00 0.00 41.12 37.48 2pac n ASP 68 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2pac n ASP 69 N -2.89 -0.45 0.22 1.67 8.00 -1.26 -4.70 116.55 117.15 2pac n ASP 69 Ca -0.14 0.12 0.18 0.00 0.71 0.00 0.00 54.79 55.66 2pac n ASP 69 Cb 0.62 0.70 0.82 0.00 -0.02 0.00 0.00 41.12 43.24 2pac n ASP 69 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2pac h GLU 70 N 0.00 0.00 0.06 -1.24 5.08 -1.99 0.24 114.58 116.74 2pac h GLU 70 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2pac h GLU 70 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2pac h GLU 70 CO 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 179.01 177.52 2pac h ALA 71 N 1.52 0.00 -1.13 3.43 0.00 -1.91 -3.10 119.26 118.07 2pac h ALA 71 Ca 0.09 -0.67 0.31 0.00 0.00 0.00 0.00 54.91 54.64 2pac h ALA 71 Cb 0.74 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 2pac h ALA 71 CO -0.00 0.25 0.75 0.37 0.00 0.00 0.00 179.25 180.62 2pac h GLN 72 N -0.72 0.24 0.05 0.00 4.15 -0.81 0.69 115.11 118.70 2pac h GLN 72 Ca -0.10 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.17 2pac h GLN 72 Cb 1.31 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.96 2pac h GLN 72 CO 0.04 0.16 -0.55 1.15 -1.93 0.00 0.00 178.83 177.70 2pac h THR 73 N 0.24 1.52 0.00 2.39 2.02 -1.51 -2.99 112.91 114.58 2pac h THR 73 Ca 0.62 -2.23 0.00 0.00 0.77 0.00 0.00 66.41 65.57 2pac h THR 73 Cb 1.88 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 71.20 2pac h THR 73 CO -0.24 0.63 0.00 0.18 0.37 0.00 0.00 175.52 176.46 2pac n LEU 74 N -4.28 0.00 0.05 2.58 7.99 0.09 -2.20 117.00 121.23 2pac n LEU 74 Ca -0.11 0.34 0.11 0.00 -0.01 0.00 0.00 56.01 56.33 2pac n LEU 74 Cb 0.67 -0.34 -0.07 0.00 -0.11 0.00 0.00 43.42 43.57 2pac n LEU 74 CO 0.45 -0.10 -0.32 0.00 -1.51 0.00 0.00 177.39 175.91 2pac n ALA 75 N -1.34 2.68 0.70 -1.18 0.00 0.22 -2.82 120.51 118.78 2pac n ALA 75 Ca 0.09 -0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.29 2pac n ALA 75 Cb 0.18 -0.95 0.22 0.00 0.00 0.00 0.00 19.45 18.90 2pac n ALA 75 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2pac n LYS 76 N -2.47 0.20 -0.03 0.00 2.85 -0.94 -1.10 118.16 116.67 2pac n LYS 76 Ca -0.02 0.06 -0.22 0.00 -1.05 0.00 0.00 58.31 57.09 2pac n LYS 76 Cb 0.55 -1.63 -0.13 0.00 -0.65 0.00 0.00 35.03 33.17 2pac n LYS 76 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 177.40 179.22 2pac n TRP 77 N -1.93 1.18 0.07 5.58 -0.00 -1.16 -1.02 117.44 120.15 2pac n TRP 77 Ca 0.04 0.33 -0.13 0.00 -0.00 0.00 0.00 57.50 57.74 2pac n TRP 77 Cb 0.41 -1.14 -0.08 0.00 -0.00 0.00 0.00 31.31 30.50 2pac n TRP 77 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2pac h VAL 78 N -0.33 0.98 0.45 5.87 2.07 -1.61 -3.14 116.25 120.54 2pac h VAL 78 Ca -0.40 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 2pac h VAL 78 Cb 1.77 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2pac h VAL 78 CO -0.02 0.05 -0.28 0.25 0.02 0.00 0.00 177.57 177.59 2pac h LEU 79 N -0.21 -0.71 -8.48 2.57 5.85 -1.25 -3.38 115.31 109.70 2pac h LEU 79 Ca -0.01 0.04 -0.66 0.00 0.84 0.00 0.00 57.88 58.09 2pac h LEU 79 Cb 0.17 0.21 -0.27 0.00 0.37 0.00 0.00 40.66 41.14 2pac h LEU 79 CO 0.02 -0.43 -0.73 -0.55 -0.34 0.00 0.00 178.44 176.41 2pac s SER 80 N -3.24 4.22 0.00 1.25 0.15 -0.19 -2.18 113.70 113.71 2pac s SER 80 Ca -0.11 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2pac s SER 80 Cb 0.02 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 2pac s SER 80 CO 0.34 0.05 0.67 0.00 1.20 0.00 0.00 173.24 175.50 2pac n GLN 81 N 4.34 0.00 0.00 5.44 6.02 -1.19 -3.69 117.38 128.30 2pac n GLN 81 Ca -0.18 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2pac n GLN 81 Cb 0.51 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.60 2pac n GLN 81 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41