#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abm n GLY 5 N 0.00 0.48 3.60 -0.02 0.00 -1.26 -5.07 105.19 102.92 3abm n GLY 5 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3abm n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3abm s VAL 6 N -2.19 4.97 0.64 1.61 1.01 -1.26 -5.07 120.40 120.11 3abm s VAL 6 Ca 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 3abm s VAL 6 Cb 0.00 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3abm s VAL 6 CO 0.00 0.37 1.28 -2.16 0.00 0.00 0.00 175.10 174.59 3abm s PRO 7 N 1.03 2.63 0.50 2.72 0.04 -1.26 -5.01 135.00 135.66 3abm s PRO 7 Ca 0.06 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 3abm s PRO 7 Cb -0.14 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.54 3abm s PRO 7 CO 0.04 -1.53 0.74 0.95 0.04 0.00 0.00 177.00 177.24 3abm s THR 8 N -1.42 3.61 0.19 1.26 -4.23 -1.26 -4.98 115.64 108.82 3abm s THR 8 Ca 0.82 -0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 60.76 3abm s THR 8 Cb -0.37 -3.36 0.11 0.00 1.34 0.00 0.00 72.50 70.22 3abm s THR 8 CO 0.39 -0.27 1.80 0.44 -0.54 0.00 0.00 174.62 176.44 3abm h ASP 9 N 0.21 0.47 -0.84 3.99 3.32 -1.95 -0.98 116.42 120.65 3abm h ASP 9 Ca -0.45 0.03 0.17 0.00 0.02 0.00 0.00 57.03 56.80 3abm h ASP 9 Cb 1.26 -0.07 -0.11 0.00 0.22 0.00 0.00 39.33 40.64 3abm h ASP 9 CO 0.57 0.32 0.37 -0.08 -1.72 0.00 0.00 179.24 178.69 3abm h GLU 10 N 0.60 0.46 -0.44 3.56 4.57 -1.95 0.35 114.58 121.73 3abm h GLU 10 Ca 0.26 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.28 3abm h GLU 10 Cb 0.14 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3abm h GLU 10 CO -0.16 0.30 -0.23 0.93 -1.18 0.00 0.00 179.01 178.68 3abm h GLU 11 N 0.47 0.91 0.00 1.92 5.08 -1.86 -3.42 114.58 117.68 3abm h GLU 11 Ca 0.48 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3abm h GLU 11 Cb 0.80 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3abm h GLU 11 CO -0.45 1.04 -0.15 0.94 -1.00 0.00 0.00 179.01 179.40 3abm n GLN 12 N -4.11 3.09 -1.59 2.33 7.27 -0.41 -4.98 117.38 118.99 3abm n GLN 12 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.67 3abm n GLN 12 Cb 0.45 -0.38 0.03 0.00 2.41 0.00 0.00 30.24 32.75 3abm n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3abm n ALA 13 N -0.47 -0.04 -4.07 1.69 0.00 0.12 -5.01 120.51 112.73 3abm n ALA 13 Ca 0.00 0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.38 3abm n ALA 13 Cb 0.00 -2.05 -0.06 0.00 0.00 0.00 0.00 19.45 17.34 3abm n ALA 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3abm n THR 14 N -1.00 0.00 -0.84 0.00 5.66 -1.26 -4.65 114.28 112.19 3abm n THR 14 Ca 0.11 -2.03 0.00 0.00 -3.05 0.00 0.00 64.05 59.08 3abm n THR 14 Cb 0.42 1.06 0.00 0.00 -1.55 0.00 0.00 70.33 70.26 3abm n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3abm n GLY 15 N -0.55 1.66 0.31 1.09 0.00 -1.26 -1.11 105.19 105.32 3abm n GLY 15 Ca 0.05 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 3abm n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3abm h LEU 16 N 0.00 0.95 -0.37 0.99 5.85 -1.99 -2.06 115.31 118.68 3abm h LEU 16 Ca 0.00 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.56 3abm h LEU 16 Cb 0.00 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 40.69 3abm h LEU 16 CO 0.00 0.98 -0.29 -0.08 -0.34 0.00 0.00 178.44 178.70 3abm h GLU 17 N 0.92 -0.23 -0.27 1.25 4.81 -1.87 -0.09 114.58 119.10 3abm h GLU 17 Ca 0.18 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 3abm h GLU 17 Cb 0.46 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 3abm h GLU 17 CO 0.02 -0.15 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.00 3abm h ARG 18 N -0.24 0.02 -0.90 1.92 2.43 -0.56 -2.28 114.38 114.76 3abm h ARG 18 Ca 0.17 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.41 3abm h ARG 18 Cb 0.51 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.99 3abm h ARG 18 CO -0.50 0.01 0.56 0.93 -1.51 0.00 0.00 179.97 179.46 3abm h GLU 19 N 0.02 0.98 -0.34 0.20 5.08 -1.02 0.32 114.58 119.82 3abm h GLU 19 Ca 0.13 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 3abm h GLU 19 Cb 0.19 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3abm h GLU 19 CO -0.27 0.65 -0.21 0.28 -1.00 0.00 0.00 179.01 178.46 3abm h VAL 20 N 1.01 1.27 -0.24 3.13 2.07 -0.80 -1.14 116.25 121.55 3abm h VAL 20 Ca 0.40 -1.28 -0.20 0.00 0.82 0.00 0.00 66.70 66.45 3abm h VAL 20 Cb 0.21 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3abm h VAL 20 CO -0.19 0.42 -0.62 -0.03 0.02 0.00 0.00 177.57 177.17 3abm h MET 21 N 0.58 0.82 -0.18 1.57 1.85 -0.55 -1.64 114.93 117.38 3abm h MET 21 Ca 0.09 -0.57 -0.07 0.00 -0.61 0.00 0.00 59.70 58.54 3abm h MET 21 Cb 0.68 0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.79 3abm h MET 21 CO 0.05 1.19 -0.15 -0.07 -0.40 0.00 0.00 176.91 177.54 3abm h LEU 22 N 0.61 0.44 -0.27 3.39 3.38 -0.21 -2.53 115.31 120.12 3abm h LEU 22 Ca -0.01 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.55 3abm h LEU 22 Cb 1.23 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 3abm h LEU 22 CO 0.13 0.81 0.01 0.00 0.09 0.00 0.00 178.44 179.48 3abm h ALA 23 N 0.65 0.25 -1.00 1.53 0.00 -1.21 -1.28 119.26 118.19 3abm h ALA 23 Ca 0.03 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3abm h ALA 23 Cb 0.67 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 3abm h ALA 23 CO 0.04 -0.41 0.64 0.00 0.00 0.00 0.00 179.25 179.52 3abm h ALA 24 N 1.23 1.46 -0.67 0.00 0.00 -1.28 -0.58 119.26 119.42 3abm h ALA 24 Ca 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3abm h ALA 24 Cb 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3abm h ALA 24 CO -0.21 0.36 0.26 -0.09 0.00 0.00 0.00 179.25 179.57 3abm h ARG 25 N 1.10 1.00 0.00 0.00 2.43 -0.81 -0.94 114.38 117.16 3abm h ARG 25 Ca 0.45 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3abm h ARG 25 Cb 0.29 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3abm h ARG 25 CO -0.20 0.84 0.00 1.63 -1.51 0.00 0.00 179.97 180.73 3abm n LYS 26 N -4.39 0.93 -2.69 0.20 5.02 -0.38 -4.89 118.16 111.96 3abm n LYS 26 Ca 0.05 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.15 3abm n LYS 26 Cb 0.18 -1.10 0.02 0.00 -0.02 0.00 0.00 35.03 34.10 3abm n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3abm n GLY 27 N 0.51 -0.35 3.61 0.72 0.00 -0.36 -5.03 105.19 104.30 3abm n GLY 27 Ca 0.04 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 3abm n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3abm s GLN 28 N -5.28 2.18 -0.42 1.61 -0.21 -0.37 -5.00 119.66 112.17 3abm s GLN 28 Ca 0.16 -1.41 0.10 0.00 0.02 0.00 0.00 55.36 54.23 3abm s GLN 28 Cb -0.07 -2.12 0.33 0.00 1.00 0.00 0.00 33.01 32.14 3abm s GLN 28 CO 0.20 0.38 0.73 -3.47 -2.12 0.00 0.00 175.29 171.01 3abm n ASP 29 N -0.63 1.48 0.27 5.90 2.03 -1.26 -3.91 116.55 120.43 3abm n ASP 29 Ca -0.07 -3.09 0.13 0.00 0.52 0.00 0.00 54.79 52.27 3abm n ASP 29 Cb 0.58 -0.62 0.78 0.00 -0.72 0.00 0.00 41.12 41.15 3abm n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3abm h PRO 30 N 3.21 0.00 -0.32 -0.67 0.13 -1.95 -2.89 132.00 129.51 3abm h PRO 30 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3abm h PRO 30 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3abm h PRO 30 CO 0.56 0.08 0.00 0.66 -0.23 0.00 0.00 178.00 179.07 3abm n TYR 31 N -3.78 0.86 -3.59 1.56 4.02 -1.26 -4.99 117.16 109.97 3abm n TYR 31 Ca -0.02 -0.73 -0.23 0.00 -0.01 0.00 0.00 57.90 56.90 3abm n TYR 31 Cb 0.18 -0.22 0.08 0.00 -0.02 0.00 0.00 39.34 39.35 3abm n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3abm n ASN 32 N -0.04 -5.74 0.08 7.72 3.02 -1.09 -4.90 115.26 114.31 3abm n ASN 32 Ca 0.19 -0.56 -0.04 0.00 -0.03 0.00 0.00 54.58 54.13 3abm n ASN 32 Cb 0.75 -4.99 0.16 0.00 -0.61 0.00 0.00 39.78 35.09 3abm n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3abm h ILE 33 N -2.58 1.35 -2.13 2.41 2.04 -1.94 -3.46 117.51 113.20 3abm h ILE 33 Ca -0.57 -1.79 -0.51 0.00 1.00 0.00 0.00 64.86 62.99 3abm h ILE 33 Cb 1.37 1.86 -0.05 0.00 -0.74 0.00 0.00 36.82 39.26 3abm h ILE 33 CO 0.56 0.53 -0.52 -0.76 0.00 0.00 0.00 178.15 177.96 3abm s LEU 34 N -8.07 3.72 -0.12 1.44 1.43 -1.26 -5.08 118.68 110.73 3abm s LEU 34 Ca -0.04 -0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 52.53 3abm s LEU 34 Cb 0.12 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 3abm s LEU 34 CO 0.79 -0.09 0.51 0.00 0.23 0.00 0.00 176.35 177.79 3abm s ALA 35 N -2.18 3.46 0.59 4.21 0.00 -1.26 -5.04 121.76 121.54 3abm s ALA 35 Ca 0.34 -0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.95 3abm s ALA 35 Cb -0.07 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 3abm s ALA 35 CO 0.25 -0.06 1.14 -2.14 0.00 0.00 0.00 175.76 174.95 3abm s PRO 36 N 0.76 3.11 -0.01 0.00 0.02 -1.26 -5.00 135.00 132.62 3abm s PRO 36 Ca 0.27 1.60 -0.17 0.00 0.02 0.00 0.00 61.00 62.72 3abm s PRO 36 Cb -0.15 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.34 3abm s PRO 36 CO 0.11 -1.04 0.49 0.15 -0.33 0.00 0.00 177.00 176.38 3abm s LYS 37 N -3.50 4.14 0.62 5.54 3.01 -1.26 -5.07 119.74 123.22 3abm s LYS 37 Ca 0.72 0.54 -0.17 0.00 -1.01 0.00 0.00 55.97 56.06 3abm s LYS 37 Cb -0.24 -3.29 -0.02 0.00 -1.01 0.00 0.00 37.83 33.26 3abm s LYS 37 CO 0.32 0.51 1.12 0.00 0.51 0.00 0.00 175.35 177.81 3abm s ALA 38 N -0.56 2.55 0.41 5.17 0.00 -1.26 -5.01 121.76 123.06 3abm s ALA 38 Ca 0.26 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.88 3abm s ALA 38 Cb -0.17 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3abm s ALA 38 CO 0.14 -1.10 0.00 0.25 0.00 0.00 0.00 175.76 175.05 3abm n THR 39 N -2.01 0.00 0.54 0.00 -2.24 -1.26 -4.97 114.28 104.34 3abm n THR 39 Ca 0.11 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.98 3abm n THR 39 Cb 0.52 -1.41 0.40 0.00 -2.10 0.00 0.00 70.33 67.74 3abm n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3abm n SER 40 N -1.69 0.22 -0.73 3.42 3.41 -1.26 -4.90 113.62 112.09 3abm n SER 40 Ca 0.00 0.55 -0.09 0.00 -0.26 0.00 0.00 58.87 59.07 3abm n SER 40 Cb 0.00 -0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 63.32 3abm n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3abm n GLY 41 N 0.24 0.98 3.95 5.00 0.00 -1.05 -4.93 105.19 109.37 3abm n GLY 41 Ca 0.04 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 3abm n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3abm s THR 42 N -2.35 2.39 0.29 2.61 -4.23 -1.16 -0.65 115.64 112.54 3abm s THR 42 Ca 0.00 -0.41 0.03 0.00 -1.18 0.00 0.00 61.69 60.13 3abm s THR 42 Cb 0.00 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 71.14 3abm s THR 42 CO 0.00 0.00 1.78 0.50 -0.54 0.00 0.00 174.62 176.36 3abm h LYS 43 N -0.39 0.75 0.00 3.99 3.64 -1.95 -2.19 116.57 120.41 3abm h LYS 43 Ca -0.43 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3abm h LYS 43 Cb 1.31 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3abm h LYS 43 CO 0.56 0.49 -0.72 0.93 -2.27 0.00 0.00 179.45 178.45 3abm h GLU 44 N 0.77 0.00 -2.17 1.90 3.07 -2.01 -3.37 114.58 112.77 3abm h GLU 44 Ca 0.54 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.84 3abm h GLU 44 Cb 0.76 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 28.26 3abm h GLU 44 CO -0.36 0.01 -0.84 -3.47 -1.40 0.00 0.00 179.01 172.96 3abm n ASP 45 N -2.81 2.98 -4.82 1.42 4.64 -0.98 -5.12 116.55 111.87 3abm n ASP 45 Ca 0.01 -3.38 -0.32 0.00 -1.38 0.00 0.00 54.79 49.72 3abm n ASP 45 Cb 0.55 -0.60 0.03 0.00 -1.04 0.00 0.00 41.12 40.07 3abm n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3abm s PRO 46 N -2.87 3.11 0.18 -0.67 0.04 -0.86 -2.54 135.00 131.39 3abm s PRO 46 Ca 0.44 1.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 3abm s PRO 46 Cb 0.28 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.72 3abm s PRO 46 CO -0.10 -0.96 1.30 -0.80 0.04 0.00 0.00 177.00 176.47 3abm s ASN 47 N -3.47 6.92 -0.27 6.66 0.01 0.61 -4.77 114.94 120.63 3abm s ASN 47 Ca 0.60 2.36 -0.11 0.00 -0.71 0.00 0.00 52.86 54.99 3abm s ASN 47 Cb -0.14 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.86 3abm s ASN 47 CO 0.48 -0.52 0.21 -0.76 -1.51 0.00 0.00 177.10 175.00 3abm s LEU 48 N 0.03 4.05 -0.34 0.60 1.02 -1.26 0.07 118.68 122.85 3abm s LEU 48 Ca 0.57 0.07 -0.02 0.00 0.02 0.00 0.00 54.13 54.77 3abm s LEU 48 Cb -0.36 -2.16 0.07 0.00 0.02 0.00 0.00 46.19 43.77 3abm s LEU 48 CO 0.37 -0.03 0.07 -0.69 0.02 0.00 0.00 176.35 176.09 3abm s VAL 49 N 1.60 3.02 0.62 -1.59 1.01 0.32 -4.94 120.40 120.44 3abm s VAL 49 Ca 0.08 -1.70 -0.16 0.00 0.00 0.00 0.00 61.98 60.20 3abm s VAL 49 Cb -0.15 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 3abm s VAL 49 CO 0.09 -0.35 1.12 -2.84 0.00 0.00 0.00 175.10 173.12 3abm s PRO 50 N 1.18 2.97 -0.05 2.72 0.02 -1.26 -1.08 135.00 139.50 3abm s PRO 50 Ca 0.01 1.45 -0.27 0.00 0.02 0.00 0.00 61.00 62.21 3abm s PRO 50 Cb -0.21 -1.97 0.06 0.00 0.02 0.00 0.00 34.50 32.40 3abm s PRO 50 CO -0.03 -1.13 0.59 0.45 -0.33 0.00 0.00 177.00 176.55 3abm s SER 51 N -2.35 -0.55 0.00 2.53 0.15 -1.09 -4.86 113.70 107.54 3abm s SER 51 Ca 0.69 0.59 0.28 0.00 0.70 0.00 0.00 55.95 58.20 3abm s SER 51 Cb -0.21 0.51 1.11 0.00 -1.71 0.00 0.00 66.02 65.71 3abm s SER 51 CO 0.37 -0.56 1.79 2.30 1.20 0.00 0.00 173.24 178.35 3abm n ILE 52 N 1.06 0.00 -1.96 6.45 -5.35 -1.26 -1.72 119.36 116.58 3abm n ILE 52 Ca -0.19 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 3abm n ILE 52 Cb 0.57 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 3abm n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3abm n THR 53 N -1.05 0.00 0.18 7.28 -2.24 -1.26 -4.97 114.28 112.22 3abm n THR 53 Ca 0.12 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.97 3abm n THR 53 Cb 0.30 0.00 0.23 0.00 -2.10 0.00 0.00 70.33 68.76 3abm n THR 53 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3abm h ASN 54 N 0.00 0.00 -4.91 3.42 2.35 -1.95 -3.43 115.58 111.06 3abm h ASN 54 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3abm h ASN 54 Cb 0.00 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.20 3abm h ASN 54 CO 0.00 0.36 0.24 -1.59 -1.65 0.00 0.00 177.43 174.79 3abm s LYS 55 N -3.32 1.07 -0.16 0.81 -2.85 -1.26 -1.28 119.74 112.75 3abm s LYS 55 Ca 0.02 0.03 -0.13 0.00 -1.00 0.00 0.00 55.97 54.89 3abm s LYS 55 Cb 0.09 0.50 0.04 0.00 -2.06 0.00 0.00 37.83 36.40 3abm s LYS 55 CO 0.69 -0.38 0.41 0.50 0.10 0.00 0.00 175.35 176.67 3abm s ARG 56 N -1.95 0.46 0.05 1.78 3.52 -0.29 -4.94 118.95 117.58 3abm s ARG 56 Ca -0.06 0.61 -0.31 0.00 -0.13 0.00 0.00 55.73 55.85 3abm s ARG 56 Cb -0.00 0.18 -0.07 0.00 -1.56 0.00 0.00 34.95 33.49 3abm s ARG 56 CO 0.02 -0.08 1.57 0.42 -0.81 0.00 0.00 175.30 176.43 3abm s ILE 57 N 0.45 3.23 -0.11 4.11 1.01 -1.26 0.43 121.20 129.06 3abm s ILE 57 Ca -0.02 0.67 -0.04 0.00 0.00 0.00 0.00 60.65 61.26 3abm s ILE 57 Cb -0.04 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 3abm s ILE 57 CO -0.02 -0.00 0.05 -0.69 0.00 0.00 0.00 174.94 174.28 3abm s VAL 58 N 2.51 4.72 -0.17 2.92 1.01 -0.42 -4.91 120.40 126.06 3abm s VAL 58 Ca 0.71 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 3abm s VAL 58 Cb -0.37 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 3abm s VAL 58 CO 0.30 0.58 -0.06 -0.83 0.00 0.00 0.00 175.10 175.09 3abm s GLY 59 N -0.66 1.65 -0.19 4.51 0.00 -1.26 -0.42 107.32 110.95 3abm s GLY 59 Ca 0.11 -0.93 -0.04 0.00 0.00 0.00 0.00 44.72 43.87 3abm s GLY 59 CO 0.02 0.03 -0.03 0.00 0.00 0.00 0.00 173.10 173.12 3abm s ILE 61 N 1.00 5.43 0.25 0.00 1.01 -1.26 -1.05 121.20 126.58 3abm s ILE 61 Ca 0.01 -2.12 -0.05 0.00 0.00 0.00 0.00 60.65 58.48 3abm s ILE 61 Cb -0.15 -4.46 0.25 0.00 0.01 0.00 0.00 42.46 38.11 3abm s ILE 61 CO 0.01 -1.03 1.90 0.00 0.00 0.00 0.00 174.94 175.83 3abm s GLU 63 N -6.09 0.55 0.35 0.00 2.02 -1.26 -5.04 118.70 109.22 3abm s GLU 63 Ca -0.13 -0.60 -0.28 0.00 0.02 0.00 0.00 54.97 53.99 3abm s GLU 63 Cb 0.18 -0.41 -0.12 0.00 0.10 0.00 0.00 34.13 33.88 3abm s GLU 63 CO 0.81 0.09 1.26 -1.91 0.02 0.00 0.00 175.26 175.53 3abm n GLU 64 N 1.94 2.02 -0.04 1.61 2.13 -1.26 -0.87 120.64 126.18 3abm n GLU 64 Ca -0.19 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.34 3abm n GLU 64 Cb 0.56 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.99 3abm n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3abm n ASP 65 N 0.76 0.00 -4.56 4.31 10.43 -1.26 -5.00 116.55 121.23 3abm n ASP 65 Ca 0.05 0.00 -0.45 0.00 2.57 0.00 0.00 54.79 56.96 3abm n ASP 65 Cb 0.36 -0.42 -0.02 0.00 1.84 0.00 0.00 41.12 42.88 3abm n ASP 65 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3abm n ASN 66 N 0.00 0.94 0.03 -2.24 4.13 -0.05 -4.89 115.26 113.19 3abm n ASN 66 Ca 0.00 1.17 0.08 0.00 1.68 0.00 0.00 54.58 57.51 3abm n ASN 66 Cb 0.00 -1.24 -0.09 0.00 -1.54 0.00 0.00 39.78 36.91 3abm n ASN 66 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3abm n SER 67 N 1.38 0.43 -4.67 6.41 3.41 -1.26 -4.85 113.62 114.47 3abm n SER 67 Ca 0.11 0.17 -0.42 0.00 -0.26 0.00 0.00 58.87 58.47 3abm n SER 67 Cb 0.31 1.10 -0.03 0.00 -0.26 0.00 0.00 64.21 65.33 3abm n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3abm s THR 68 N -3.31 4.78 -0.08 6.66 2.01 -1.26 -5.05 115.64 119.39 3abm s THR 68 Ca -0.05 1.92 -0.09 0.00 0.31 0.00 0.00 61.69 63.79 3abm s THR 68 Cb 0.11 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 3abm s THR 68 CO 0.85 -0.05 0.21 -0.69 -0.69 0.00 0.00 174.62 174.24 3abm s VAL 69 N 2.46 5.39 -0.31 3.82 1.01 -1.26 -4.70 120.40 126.81 3abm s VAL 69 Ca 0.44 0.33 -0.12 0.00 0.00 0.00 0.00 61.98 62.63 3abm s VAL 69 Cb -0.17 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3abm s VAL 69 CO 0.12 0.59 0.22 -0.63 0.00 0.00 0.00 175.10 175.40 3abm s ILE 70 N -1.06 5.29 -0.10 2.22 -1.09 -0.22 -4.86 121.20 121.39 3abm s ILE 70 Ca 0.18 -0.02 -0.04 0.00 -2.23 0.00 0.00 60.65 58.54 3abm s ILE 70 Cb -0.13 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 3abm s ILE 70 CO 0.07 0.11 0.04 0.26 -1.23 0.00 0.00 174.94 174.20 3abm s TRP 71 N 1.75 3.29 -0.06 3.97 0.52 -1.26 0.11 118.94 127.26 3abm s TRP 71 Ca 0.07 0.28 -0.30 0.00 0.02 0.00 0.00 56.10 56.16 3abm s TRP 71 Cb -0.17 -1.85 0.08 0.00 -1.15 0.00 0.00 33.47 30.39 3abm s TRP 71 CO 0.11 0.53 0.74 -0.59 0.02 0.00 0.00 176.95 177.76 3abm s PHE 72 N -0.86 -0.59 0.01 -1.98 -0.12 0.44 -5.00 117.98 109.89 3abm s PHE 72 Ca 0.13 0.97 -0.30 0.00 -0.05 0.00 0.00 56.93 57.68 3abm s PHE 72 Cb -0.12 0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 42.66 3abm s PHE 72 CO 0.03 -0.57 1.18 -1.58 -0.05 0.00 0.00 175.22 174.23 3abm s TRP 73 N -1.35 3.37 -0.19 3.49 0.52 -1.26 -1.30 118.94 122.22 3abm s TRP 73 Ca -0.08 1.31 -0.15 0.00 0.02 0.00 0.00 56.10 57.19 3abm s TRP 73 Cb -0.00 -3.39 -0.04 0.00 -1.15 0.00 0.00 33.47 28.89 3abm s TRP 73 CO 0.07 -1.16 0.37 -1.17 0.02 0.00 0.00 176.95 175.08 3abm s LEU 74 N 1.46 4.17 0.10 2.99 2.96 0.17 -4.91 118.68 125.62 3abm s LEU 74 Ca 0.57 0.50 0.01 0.00 -0.22 0.00 0.00 54.13 55.00 3abm s LEU 74 Cb -0.27 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 3abm s LEU 74 CO 0.27 -0.04 0.23 -1.00 -1.32 0.00 0.00 176.35 174.48 3abm s HIS 75 N 1.15 3.47 0.17 5.38 3.76 -1.26 -1.14 115.29 126.83 3abm s HIS 75 Ca 0.18 0.18 -0.32 0.00 -0.15 0.00 0.00 55.06 54.95 3abm s HIS 75 Cb -0.14 -1.70 -0.16 0.00 1.11 0.00 0.00 32.58 31.68 3abm s HIS 75 CO 0.07 0.55 0.95 1.17 -0.85 0.00 0.00 174.74 176.64 3abm n LYS 76 N -0.06 0.70 0.00 1.40 4.81 -0.41 -4.47 118.16 120.13 3abm n LYS 76 Ca -0.06 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 3abm n LYS 76 Cb 0.52 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 33.98 3abm n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3abm n GLY 77 N 1.81 0.18 3.77 3.14 0.00 -1.26 -5.03 105.19 107.80 3abm n GLY 77 Ca 0.16 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 3abm n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3abm s GLU 78 N 0.00 3.98 0.48 1.61 2.12 -1.26 -4.72 118.70 120.91 3abm s GLU 78 Ca 0.00 2.45 -0.21 0.00 0.36 0.00 0.00 54.97 57.57 3abm s GLU 78 Cb 0.00 -2.85 -0.10 0.00 0.26 0.00 0.00 34.13 31.43 3abm s GLU 78 CO 0.00 -0.59 0.63 0.00 -0.54 0.00 0.00 175.26 174.76 3abm n ALA 79 N 0.24 -1.02 -2.54 6.30 0.00 -1.26 -4.95 120.51 117.27 3abm n ALA 79 Ca 0.02 0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.31 3abm n ALA 79 Cb 0.41 -1.86 -0.09 0.00 0.00 0.00 0.00 19.45 17.91 3abm n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3abm s GLN 80 N -1.88 1.97 0.09 0.00 -0.21 -0.44 -4.92 119.66 114.26 3abm s GLN 80 Ca 0.66 -1.84 0.07 0.00 0.02 0.00 0.00 55.36 54.27 3abm s GLN 80 Cb -0.53 -1.83 -0.04 0.00 1.00 0.00 0.00 33.01 31.62 3abm s GLN 80 CO 0.56 0.13 -0.13 1.03 -2.12 0.00 0.00 175.29 174.76 3abm s ARG 81 N -3.67 2.08 -0.03 2.91 0.52 -1.26 -0.80 118.95 118.69 3abm s ARG 81 Ca 0.34 -1.02 -0.33 0.00 -0.52 0.00 0.00 55.73 54.19 3abm s ARG 81 Cb 0.01 -2.27 -0.11 0.00 0.52 0.00 0.00 34.95 33.10 3abm s ARG 81 CO 0.18 0.51 1.87 0.00 0.02 0.00 0.00 175.30 177.88 3abm n PRO 83 N 6.45 0.05 -0.13 0.00 -0.04 -1.26 -0.33 135.00 139.73 3abm n PRO 83 Ca 0.21 0.48 -0.28 0.00 -0.04 0.00 0.00 63.50 63.88 3abm n PRO 83 Cb 0.32 -1.63 -0.10 0.00 -0.04 0.00 0.00 33.50 32.05 3abm n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3abm n SER 84 N -1.72 1.94 -0.37 3.54 2.88 -1.26 -4.73 113.62 113.89 3abm n SER 84 Ca 0.00 0.35 0.05 0.00 -1.33 0.00 0.00 58.87 57.95 3abm n SER 84 Cb 0.06 -0.84 0.03 0.00 -0.75 0.00 0.00 64.21 62.71 3abm n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3abm n GLY 86 N 0.66 2.16 3.74 0.00 0.00 0.55 -4.92 105.19 107.38 3abm n GLY 86 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3abm n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3abm s THR 87 N -2.99 2.13 -0.06 2.61 -4.23 -1.26 -4.24 115.64 107.61 3abm s THR 87 Ca 0.00 0.09 -0.05 0.00 -1.18 0.00 0.00 61.69 60.54 3abm s THR 87 Cb 0.00 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 3abm s THR 87 CO 0.00 -0.01 0.18 -1.00 -0.54 0.00 0.00 174.62 173.25 3abm s HIS 88 N -1.39 3.58 0.01 3.99 0.09 0.17 -0.20 115.29 121.53 3abm s HIS 88 Ca 0.79 0.48 0.04 0.00 -0.00 0.00 0.00 55.06 56.36 3abm s HIS 88 Cb -0.37 -1.91 -0.01 0.00 -0.00 0.00 0.00 32.58 30.28 3abm s HIS 88 CO 0.41 0.68 -0.11 0.71 -0.00 0.00 0.00 174.74 176.43 3abm s TYR 89 N -1.19 1.02 -0.04 1.40 2.02 0.02 -0.29 117.35 120.30 3abm s TYR 89 Ca 0.22 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 3abm s TYR 89 Cb -0.13 -0.64 0.02 0.00 -0.40 0.00 0.00 41.96 40.81 3abm s TYR 89 CO 0.12 -0.01 -0.06 0.21 -1.57 0.00 0.00 175.55 174.24 3abm s LYS 90 N -0.54 0.84 0.14 -0.62 2.20 0.11 -1.33 119.74 120.55 3abm s LYS 90 Ca 0.03 -0.16 -0.30 0.00 -0.36 0.00 0.00 55.97 55.18 3abm s LYS 90 Cb -0.05 -0.82 -0.07 0.00 -1.51 0.00 0.00 37.83 35.38 3abm s LYS 90 CO 0.00 -0.02 0.94 -1.17 -0.36 0.00 0.00 175.35 174.74 3abm s LEU 91 N 0.67 4.54 -0.48 5.43 2.96 -1.26 -0.52 118.68 130.02 3abm s LEU 91 Ca -0.09 1.82 0.03 0.00 -0.22 0.00 0.00 54.13 55.67 3abm s LEU 91 Cb -0.12 -3.57 0.14 0.00 0.50 0.00 0.00 46.19 43.13 3abm s LEU 91 CO 0.00 0.01 0.27 0.68 -1.32 0.00 0.00 176.35 175.99 3abm s VAL 92 N -0.35 1.78 -0.50 1.68 -7.23 -0.24 -4.68 120.40 110.87 3abm s VAL 92 Ca 0.45 -2.90 -0.38 0.00 -1.81 0.00 0.00 61.98 57.34 3abm s VAL 92 Cb -0.24 -2.24 -0.16 0.00 0.56 0.00 0.00 36.38 34.31 3abm s VAL 92 CO 0.30 -0.89 2.24 -2.65 -0.31 0.00 0.00 175.10 173.79 3abm n PRO 93 N 3.28 0.49 0.00 4.82 -0.02 -1.26 -2.68 135.00 139.63 3abm n PRO 93 Ca 0.09 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3abm n PRO 93 Cb 0.34 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3abm n PRO 93 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3abm n HIS 94 N 9.22 0.00 0.00 6.00 -0.00 -0.70 -4.90 115.22 124.83 3abm n HIS 94 Ca 0.50 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.68 3abm n HIS 94 Cb 0.11 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.98 3abm n HIS 94 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 3abm n GLN 95 N 0.00 0.00 -0.79 1.57 1.13 -1.26 -4.85 117.38 113.18 3abm n GLN 95 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3abm n GLN 95 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3abm n GLN 95 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51