#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s ARG 8 N 0.00 1.38 -0.19 5.31 1.70 -0.23 -4.98 118.95 121.95 3cma s ARG 8 Ca 0.00 -1.41 -0.04 0.00 -0.47 0.00 0.00 55.73 53.81 3cma s ARG 8 Cb 0.00 0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 34.74 3cma s ARG 8 CO 0.00 -0.53 -0.03 0.08 -1.08 0.00 0.00 175.30 173.74 3cma s VAL 9 N -4.08 3.71 0.17 4.99 1.01 -1.26 -1.07 120.40 123.87 3cma s VAL 9 Ca 0.29 -0.40 0.11 0.00 0.00 0.00 0.00 61.98 61.98 3cma s VAL 9 Cb 0.03 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3cma s VAL 9 CO 0.10 0.45 -0.23 -0.69 0.00 0.00 0.00 175.10 174.73 3cma s VAL 10 N 0.88 2.44 -0.43 2.92 1.01 0.95 -4.94 120.40 123.23 3cma s VAL 10 Ca -0.00 -1.91 -0.05 0.00 0.00 0.00 0.00 61.98 60.02 3cma s VAL 10 Cb -0.15 -2.15 0.11 0.00 0.00 0.00 0.00 36.38 34.19 3cma s VAL 10 CO 0.01 -0.06 0.26 -0.89 0.00 0.00 0.00 175.10 174.43 3cma s THR 11 N -1.51 3.67 -0.25 3.92 2.01 -1.26 0.26 115.64 122.48 3cma s THR 11 Ca 0.20 -1.94 -0.24 0.00 0.31 0.00 0.00 61.69 60.01 3cma s THR 11 Cb -0.09 -3.47 -0.00 0.00 0.01 0.00 0.00 72.50 68.95 3cma s THR 11 CO 0.10 -0.72 0.82 -0.63 -0.69 0.00 0.00 174.62 173.50 3cma s ILE 12 N 1.23 4.83 0.01 1.82 -1.09 -0.67 -4.88 121.20 122.44 3cma s ILE 12 Ca 0.07 1.51 -0.23 0.00 -2.23 0.00 0.00 60.65 59.77 3cma s ILE 12 Cb -0.24 -4.12 -0.05 0.00 -1.58 0.00 0.00 42.46 36.47 3cma s ILE 12 CO -0.03 -0.10 0.70 -2.16 -1.23 0.00 0.00 174.94 172.12 3cma s PRO 13 N 2.86 4.42 -0.17 2.79 0.04 -1.26 -1.95 135.00 141.74 3cma s PRO 13 Ca 0.34 0.92 0.16 0.00 0.04 0.00 0.00 61.00 62.46 3cma s PRO 13 Cb -0.15 -3.37 0.53 0.00 0.04 0.00 0.00 34.50 31.54 3cma s PRO 13 CO 0.08 0.26 1.43 1.28 0.04 0.00 0.00 177.00 180.09 3cma n LEU 14 N 2.99 3.90 0.00 -3.56 4.77 -0.22 -4.66 117.00 120.22 3cma n LEU 14 Ca -0.04 -2.95 0.02 0.00 -0.03 0.00 0.00 56.01 53.01 3cma n LEU 14 Cb 0.51 -0.53 0.09 0.00 -2.33 0.00 0.00 43.42 41.15 3cma n LEU 14 CO 0.46 0.68 0.35 -2.11 -1.33 0.00 0.00 177.39 175.43 3cma n ARG 15 N -0.39 0.09 0.00 3.23 1.85 -1.25 -1.58 116.66 118.60 3cma n ARG 15 Ca 0.21 0.03 0.11 0.00 -1.00 0.00 0.00 57.85 57.20 3cma n ARG 15 Cb 0.88 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.80 3cma n ARG 15 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3cma n ASP 16 N -1.04 2.22 0.00 2.89 8.00 -1.26 -3.81 116.55 123.54 3cma n ASP 16 Ca 0.02 -1.61 0.14 0.00 0.71 0.00 0.00 54.79 54.05 3cma n ASP 16 Cb 0.01 0.38 0.63 0.00 -0.02 0.00 0.00 41.12 42.12 3cma n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cma n ALA 17 N 0.26 2.31 0.25 2.24 0.00 -0.62 -2.78 120.51 122.17 3cma n ALA 17 Ca 0.10 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3cma n ALA 17 Cb 0.49 -1.45 0.58 0.00 0.00 0.00 0.00 19.45 19.07 3cma n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cma h ARG 18 N 0.00 0.00 0.00 0.00 3.08 -1.75 -2.16 114.38 113.54 3cma h ARG 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3cma h ARG 18 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3cma h ARG 18 CO 0.00 0.15 0.00 0.00 -1.07 0.00 0.00 179.97 179.05 3cma n ALA 19 N -2.20 2.01 -2.87 0.04 0.00 -1.12 -4.75 120.51 111.63 3cma n ALA 19 Ca -0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.08 3cma n ALA 19 Cb 0.36 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 3cma n ALA 19 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3cma s GLU 20 N -2.87 3.48 0.23 0.00 2.56 -0.82 -5.03 118.70 116.25 3cma s GLU 20 Ca 0.13 -0.46 -0.32 0.00 0.00 0.00 0.00 54.97 54.33 3cma s GLU 20 Cb 0.14 -2.93 -0.13 0.00 2.00 0.00 0.00 34.13 33.21 3cma s GLU 20 CO 0.37 0.50 1.55 -0.35 -0.56 0.00 0.00 175.26 176.77 3cma n PRO 21 N -0.39 2.37 -0.31 4.30 -0.04 -1.26 -4.80 135.00 134.87 3cma n PRO 21 Ca -0.06 0.85 0.16 0.00 -0.04 0.00 0.00 63.50 64.41 3cma n PRO 21 Cb 0.53 -2.60 0.31 0.00 -0.04 0.00 0.00 33.50 31.70 3cma n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3cma n ASN 22 N 2.76 -0.05 0.00 3.54 3.02 -1.26 -0.74 115.26 122.54 3cma n ASN 22 Ca 0.13 1.54 0.01 0.00 -0.03 0.00 0.00 54.58 56.23 3cma n ASN 22 Cb 0.33 -0.59 0.07 0.00 -0.61 0.00 0.00 39.78 38.98 3cma n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cma n HIS 23 N -5.30 0.00 -1.84 3.10 1.44 -1.26 -2.79 115.22 108.57 3cma n HIS 23 Ca 0.23 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 3cma n HIS 23 Cb 0.77 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.88 3cma n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3cma n LYS 24 N -0.57 0.00 -0.01 -1.40 5.02 0.09 -4.57 118.16 116.72 3cma n LYS 24 Ca 0.02 -0.87 0.09 0.00 -2.02 0.00 0.00 58.31 55.53 3cma n LYS 24 Cb 0.01 -0.48 0.50 0.00 -0.02 0.00 0.00 35.03 35.04 3cma n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cma h ARG 25 N 0.00 0.38 -0.31 1.97 3.08 -1.34 -2.33 114.38 115.82 3cma h ARG 25 Ca 0.00 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.07 3cma h ARG 25 Cb 1.32 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 3cma h ARG 25 CO 0.00 0.25 0.07 0.00 -1.07 0.00 0.00 179.97 179.23 3cma h ALA 26 N 1.75 0.33 -0.49 0.04 0.00 -1.68 0.56 119.26 119.77 3cma h ALA 26 Ca 0.20 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3cma h ALA 26 Cb 0.29 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3cma h ALA 26 CO -0.05 -0.33 0.22 -0.44 0.00 0.00 0.00 179.25 178.65 3cma h ASP 27 N 0.19 0.65 -0.52 0.00 3.45 -1.71 -1.83 116.42 116.67 3cma h ASP 27 Ca 0.14 -0.15 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 3cma h ASP 27 Cb 0.14 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.72 3cma h ASP 27 CO -0.18 0.62 0.18 0.50 -1.57 0.00 0.00 179.24 178.79 3cma h LYS 28 N 0.65 0.79 -0.14 3.56 1.63 -1.33 -2.52 116.57 119.20 3cma h LYS 28 Ca 0.17 -0.16 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 3cma h LYS 28 Cb 0.15 -0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 31.60 3cma h LYS 28 CO -0.02 0.72 -0.21 0.00 -3.45 0.00 0.00 179.45 176.49 3cma h ALA 29 N 1.04 -0.16 -0.41 5.00 0.00 -0.65 0.27 119.26 124.34 3cma h ALA 29 Ca 0.17 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.25 3cma h ALA 29 Cb 0.24 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3cma h ALA 29 CO -0.01 -0.67 0.42 1.98 0.00 0.00 0.00 179.25 180.98 3cma h MET 30 N -0.26 0.00 0.04 0.00 1.85 -0.96 -1.56 114.93 114.03 3cma h MET 30 Ca 0.10 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.19 3cma h MET 30 Cb 0.42 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.45 3cma h MET 30 CO -0.30 0.00 -0.02 0.82 -0.40 0.00 0.00 176.91 177.02 3cma h ILE 31 N 0.00 0.42 -1.04 1.77 2.04 -0.15 -3.22 117.51 117.33 3cma h ILE 31 Ca 0.19 -1.26 0.41 0.00 1.00 0.00 0.00 64.86 65.20 3cma h ILE 31 Cb 1.04 0.78 -0.17 0.00 -0.74 0.00 0.00 36.82 37.73 3cma h ILE 31 CO -0.00 0.14 0.58 -0.07 0.00 0.00 0.00 178.15 178.80 3cma h LEU 32 N -1.00 0.35 0.14 1.44 3.38 -0.15 0.42 115.31 119.88 3cma h LEU 32 Ca -0.00 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3cma h LEU 32 Cb 0.26 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3cma h LEU 32 CO 0.01 -0.36 -0.07 0.40 0.09 0.00 0.00 178.44 178.52 3cma h ILE 33 N 0.07 0.94 0.02 1.22 2.04 -1.45 0.21 117.51 120.55 3cma h ILE 33 Ca 0.83 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 66.42 3cma h ILE 33 Cb 2.19 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 39.37 3cma h ILE 33 CO -0.70 0.07 -0.10 -0.09 0.00 0.00 0.00 178.15 177.33 3cma h ARG 34 N -0.32 -0.17 -0.74 2.37 2.43 -0.26 -1.53 114.38 116.18 3cma h ARG 34 Ca -0.02 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3cma h ARG 34 Cb 0.25 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 3cma h ARG 34 CO 0.03 -0.11 0.44 0.93 -1.51 0.00 0.00 179.97 179.75 3cma h GLU 35 N -0.17 0.81 0.16 0.20 5.08 -0.90 -0.06 114.58 119.70 3cma h GLU 35 Ca 0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3cma h GLU 35 Cb 0.21 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3cma h GLU 35 CO -0.09 0.54 -0.08 1.25 -1.00 0.00 0.00 179.01 179.63 3cma h HIS 36 N 0.83 -0.20 -0.78 4.33 2.76 -0.29 -2.13 115.15 119.67 3cma h HIS 36 Ca 0.32 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.50 3cma h HIS 36 Cb 0.12 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.10 3cma h HIS 36 CO -0.05 -0.02 0.51 -0.07 -1.30 0.00 0.00 177.93 177.00 3cma h LEU 37 N -0.34 0.87 -0.35 0.26 3.38 -1.07 -0.15 115.31 117.91 3cma h LEU 37 Ca -0.02 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3cma h LEU 37 Cb 0.26 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3cma h LEU 37 CO 0.04 0.62 0.12 0.00 0.09 0.00 0.00 178.44 179.31 3cma h ALA 38 N 1.30 0.40 -0.12 1.53 0.00 -0.87 -0.34 119.26 121.16 3cma h ALA 38 Ca 0.29 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 3cma h ALA 38 Cb -0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3cma h ALA 38 CO -0.08 -0.28 -0.31 -0.22 0.00 0.00 0.00 179.25 178.37 3cma h LYS 39 N 0.26 0.42 0.00 0.00 3.64 -1.04 0.21 116.57 120.06 3cma h LYS 39 Ca 0.16 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3cma h LYS 39 Cb 0.14 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3cma h LYS 39 CO -0.17 0.90 0.00 0.72 -2.27 0.00 0.00 179.45 178.64 3cma n HIS 40 N -4.40 0.55 -0.06 1.91 8.25 -0.10 -2.69 115.22 118.68 3cma n HIS 40 Ca -0.07 0.18 0.04 0.00 -0.26 0.00 0.00 57.72 57.61 3cma n HIS 40 Cb 0.48 -0.80 0.09 0.00 1.12 0.00 0.00 29.99 30.88 3cma n HIS 40 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3cma n PHE 41 N -1.97 0.26 -3.53 4.41 3.01 -0.15 -5.01 117.46 114.47 3cma n PHE 41 Ca 0.05 -0.43 -0.24 0.00 1.01 0.00 0.00 57.45 57.83 3cma n PHE 41 Cb 0.31 -0.03 0.04 0.00 -0.01 0.00 0.00 39.48 39.80 3cma n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3cma n SER 42 N 0.19 -5.86 -4.06 4.37 7.64 -0.85 -5.02 113.62 110.04 3cma n SER 42 Ca 0.07 -0.85 -0.11 0.00 1.01 0.00 0.00 58.87 59.00 3cma n SER 42 Cb 0.34 -3.84 -0.08 0.00 -1.01 0.00 0.00 64.21 59.63 3cma n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3cma s VAL 43 N -3.36 0.00 0.18 0.44 1.01 0.68 -5.03 120.40 114.32 3cma s VAL 43 Ca 0.39 -1.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.35 3cma s VAL 43 Cb -0.12 -2.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.82 3cma s VAL 43 CO 0.83 0.00 1.00 -1.81 0.00 0.00 0.00 175.10 175.11 3cma s ASP 44 N -3.10 7.48 0.30 3.32 1.11 -1.26 -4.41 116.67 120.10 3cma s ASP 44 Ca 0.31 1.95 0.06 0.00 0.18 0.00 0.00 52.55 55.05 3cma s ASP 44 Cb 0.03 -2.60 0.74 0.00 1.07 0.00 0.00 42.92 42.16 3cma s ASP 44 CO 0.11 -0.03 1.76 -0.33 1.18 0.00 0.00 175.17 177.86 3cma h GLU 45 N 4.86 0.66 -0.48 8.23 5.08 -1.90 0.77 114.58 131.80 3cma h GLU 45 Ca -0.44 -0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.02 3cma h GLU 45 Cb 1.21 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 3cma h GLU 45 CO 0.70 0.44 0.40 -0.44 -1.00 0.00 0.00 179.01 179.11 3cma h ASP 46 N 0.68 0.00 1.34 1.42 3.32 -1.97 -0.63 116.42 120.58 3cma h ASP 46 Ca 0.58 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.57 3cma h ASP 46 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 3cma h ASP 46 CO -0.41 0.00 -0.68 0.00 -1.72 0.00 0.00 179.24 176.42 3cma h ALA 47 N 1.66 0.71 -2.45 3.45 0.00 0.19 -3.45 119.26 119.37 3cma h ALA 47 Ca 0.23 -0.30 -0.54 0.00 0.00 0.00 0.00 54.91 54.31 3cma h ALA 47 Cb 1.02 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.85 3cma h ALA 47 CO -0.00 0.36 0.74 0.08 0.00 0.00 0.00 179.25 180.43 3cma s VAL 48 N -3.12 3.65 -0.29 0.00 1.01 -0.25 -3.16 120.40 118.23 3cma s VAL 48 Ca 0.02 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.15 3cma s VAL 48 Cb 0.08 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.80 3cma s VAL 48 CO 0.75 0.04 -0.04 -0.60 0.00 0.00 0.00 175.10 175.26 3cma s ARG 49 N 1.72 2.09 -0.24 2.72 3.52 -0.12 -4.97 118.95 123.67 3cma s ARG 49 Ca 0.63 -1.48 -0.24 0.00 -0.13 0.00 0.00 55.73 54.51 3cma s ARG 49 Cb -0.33 -3.05 -0.01 0.00 -1.56 0.00 0.00 34.95 30.01 3cma s ARG 49 CO 0.28 -0.69 0.81 -0.51 -0.81 0.00 0.00 175.30 174.38 3cma s LEU 50 N 1.08 4.09 0.39 -0.88 1.43 -1.26 -1.71 118.68 121.82 3cma s LEU 50 Ca -0.03 1.02 -0.26 0.00 -1.03 0.00 0.00 54.13 53.83 3cma s LEU 50 Cb -0.20 -3.16 -0.09 0.00 0.03 0.00 0.00 46.19 42.78 3cma s LEU 50 CO -0.05 -0.49 1.20 -0.62 0.23 0.00 0.00 176.35 176.62 3cma s ASP 51 N 1.33 6.56 0.45 2.29 -1.08 0.06 -4.88 116.67 121.40 3cma s ASP 51 Ca 0.34 2.42 0.31 0.00 -0.52 0.00 0.00 52.55 55.10 3cma s ASP 51 Cb -0.15 -2.62 1.41 0.00 -1.46 0.00 0.00 42.92 40.10 3cma s ASP 51 CO 0.08 -0.66 1.66 -0.65 0.52 0.00 0.00 175.17 176.12 3cma h PRO 52 N 2.79 0.12 -0.86 4.34 0.11 -1.96 0.15 132.00 136.70 3cma h PRO 52 Ca -0.49 -0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.84 3cma h PRO 52 Cb 1.23 -0.03 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 3cma h PRO 52 CO 0.63 0.08 0.22 0.66 -0.21 0.00 0.00 178.00 179.38 3cma h SER 53 N 0.12 -0.00 -0.58 -2.05 4.64 -1.94 0.68 113.55 114.43 3cma h SER 53 Ca 0.77 0.19 -0.10 0.00 -0.47 0.00 0.00 61.79 62.18 3cma h SER 53 Cb 2.49 0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 64.81 3cma h SER 53 CO -0.32 -0.13 -0.04 0.40 -0.87 0.00 0.00 176.83 175.87 3cma h ILE 54 N 0.22 1.27 0.05 0.95 2.04 -1.03 -1.47 117.51 119.53 3cma h ILE 54 Ca 0.53 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 3cma h ILE 54 Cb 1.03 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3cma h ILE 54 CO -0.63 0.43 -0.02 -1.13 0.00 0.00 0.00 178.15 176.79 3cma h ASN 55 N 0.93 -0.05 0.29 1.72 -1.24 0.13 -1.12 115.58 116.24 3cma h ASN 55 Ca 0.16 -0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.04 3cma h ASN 55 Cb 0.60 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.66 3cma h ASN 55 CO 0.04 0.05 -0.24 -0.33 -1.29 0.00 0.00 177.43 175.66 3cma h GLU 56 N -0.15 0.00 0.20 6.67 5.08 -0.28 -1.37 114.58 124.73 3cma h GLU 56 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3cma h GLU 56 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3cma h GLU 56 CO 0.01 0.24 -0.10 0.00 -1.00 0.00 0.00 179.01 178.16 3cma h ALA 57 N 1.76 -0.27 -0.42 3.43 0.00 -0.77 -2.39 119.26 120.59 3cma h ALA 57 Ca -0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3cma h ALA 57 Cb 0.44 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3cma h ALA 57 CO 0.03 -0.56 -0.00 0.00 0.00 0.00 0.00 179.25 178.72 3cma h ALA 58 N 0.29 1.20 -0.39 0.00 0.00 -0.80 -2.94 119.26 116.63 3cma h ALA 58 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3cma h ALA 58 Cb 0.36 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3cma h ALA 58 CO 0.05 0.52 0.00 0.91 0.00 0.00 0.00 179.25 180.73 3cma n TRP 59 N -4.24 0.64 -0.01 0.00 7.02 -0.55 -4.59 117.44 115.71 3cma n TRP 59 Ca 0.02 -0.29 -0.04 0.00 -1.02 0.00 0.00 57.50 56.17 3cma n TRP 59 Cb 0.28 -0.06 -0.03 0.00 -2.42 0.00 0.00 31.31 29.09 3cma n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3cma h ALA 60 N 3.62 -0.52 -0.12 6.99 0.00 -1.24 -2.36 119.26 125.64 3cma h ALA 60 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3cma h ALA 60 Cb 0.67 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 3cma h ALA 60 CO 0.05 -0.57 0.09 0.54 0.00 0.00 0.00 179.25 179.35 3cma n ARG 61 N -3.34 1.16 0.00 0.00 1.74 -1.26 -4.98 116.66 109.98 3cma n ARG 61 Ca -0.01 -0.38 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 3cma n ARG 61 Cb 0.10 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 3cma n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cma n GLY 62 N 0.47 -1.21 0.00 -0.13 0.00 -0.89 -4.11 105.19 99.33 3cma n GLY 62 Ca 0.07 -1.91 0.08 0.00 0.00 0.00 0.00 46.02 44.27 3cma n GLY 62 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3cma n ARG 63 N 0.00 0.97 -0.08 1.61 0.63 -1.26 -4.51 116.66 114.03 3cma n ARG 63 Ca 0.00 -0.07 -0.10 0.00 -0.92 0.00 0.00 57.85 56.76 3cma n ARG 63 Cb 0.00 -1.36 -0.15 0.00 0.45 0.00 0.00 32.46 31.40 3cma n ARG 63 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3cma n ALA 64 N -1.72 1.50 -2.75 5.13 0.00 -1.26 -1.92 120.51 119.50 3cma n ALA 64 Ca 0.00 -1.16 -0.37 0.00 0.00 0.00 0.00 53.44 51.92 3cma n ALA 64 Cb 0.35 -0.39 -0.11 0.00 0.00 0.00 0.00 19.45 19.30 3cma n ALA 64 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3cma s ASN 65 N -5.69 5.79 0.08 0.00 0.01 -1.26 -4.63 114.94 109.24 3cma s ASN 65 Ca -0.09 -0.01 0.08 0.00 -0.71 0.00 0.00 52.86 52.14 3cma s ASN 65 Cb 0.07 -2.05 -0.03 0.00 0.41 0.00 0.00 41.25 39.65 3cma s ASN 65 CO 0.83 0.02 -0.22 -0.89 -1.51 0.00 0.00 177.10 175.33 3cma s THR 66 N 1.33 1.79 0.53 1.60 2.01 -1.26 -4.26 115.64 117.37 3cma s THR 66 Ca 0.06 -1.42 -0.22 0.00 0.31 0.00 0.00 61.69 60.43 3cma s THR 66 Cb -0.15 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 3cma s THR 66 CO 0.06 0.09 1.29 -2.16 -0.69 0.00 0.00 174.62 173.21 3cma s PRO 67 N -1.59 3.26 0.46 4.92 0.04 -1.26 -4.89 135.00 135.93 3cma s PRO 67 Ca 0.08 2.05 0.26 0.00 0.04 0.00 0.00 61.00 63.43 3cma s PRO 67 Cb -0.10 -2.24 0.93 0.00 0.04 0.00 0.00 34.50 33.14 3cma s PRO 67 CO 0.03 -1.04 1.83 0.66 0.04 0.00 0.00 177.00 178.52 3cma h SER 68 N 1.50 0.00 -5.54 6.66 4.64 -1.95 -3.43 113.55 115.42 3cma h SER 68 Ca -0.50 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.52 3cma h SER 68 Cb 1.29 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.30 3cma h SER 68 CO 0.58 0.16 -0.17 -0.54 -0.87 0.00 0.00 176.83 175.99 3cma s LYS 69 N -3.58 1.98 -0.29 4.77 1.02 -1.26 -1.06 119.74 121.33 3cma s LYS 69 Ca 0.01 -1.81 -0.15 0.00 0.02 0.00 0.00 55.97 54.04 3cma s LYS 69 Cb 0.09 0.45 0.14 0.00 -0.52 0.00 0.00 37.83 37.99 3cma s LYS 69 CO 0.62 -0.83 0.90 -1.50 -0.92 0.00 0.00 175.35 173.62 3cma s ILE 70 N -2.90 -0.24 -0.07 2.17 2.07 -0.82 -4.91 121.20 116.49 3cma s ILE 70 Ca 0.31 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.25 3cma s ILE 70 Cb -0.01 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.56 3cma s ILE 70 CO 0.22 0.00 1.05 -0.13 -1.91 0.00 0.00 174.94 174.17 3cma s ARG 71 N 1.85 4.43 -0.03 3.50 0.52 -1.26 -1.68 118.95 126.29 3cma s ARG 71 Ca -0.07 1.47 0.02 0.00 -0.52 0.00 0.00 55.73 56.64 3cma s ARG 71 Cb -0.05 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 31.90 3cma s ARG 71 CO -0.17 -0.30 -0.09 0.54 0.02 0.00 0.00 175.30 175.30 3cma s VAL 72 N 1.87 0.75 -0.42 3.52 0.11 0.14 -4.22 120.40 122.15 3cma s VAL 72 Ca 0.51 -0.34 -0.13 0.00 -2.93 0.00 0.00 61.98 59.09 3cma s VAL 72 Cb -0.21 -0.67 0.05 0.00 -1.53 0.00 0.00 36.38 34.02 3cma s VAL 72 CO 0.21 0.24 0.29 -0.60 -3.33 0.00 0.00 175.10 171.91 3cma s ARG 73 N 0.22 2.87 0.07 1.54 3.52 -0.63 -0.03 118.95 126.52 3cma s ARG 73 Ca -0.03 -1.20 0.06 0.00 -0.13 0.00 0.00 55.73 54.43 3cma s ARG 73 Cb -0.09 -3.92 -0.04 0.00 -1.56 0.00 0.00 34.95 29.34 3cma s ARG 73 CO 0.00 -0.84 -0.09 0.00 -0.81 0.00 0.00 175.30 173.56 3cma s ALA 74 N 1.60 2.97 -0.10 6.12 0.00 -0.23 -2.29 121.76 129.82 3cma s ALA 74 Ca 0.04 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.84 3cma s ALA 74 Cb -0.21 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 21.96 3cma s ALA 74 CO 0.07 0.63 -0.14 0.00 0.00 0.00 0.00 175.76 176.33 3cma s ALA 75 N -1.14 1.59 -0.17 0.00 0.00 -0.23 -1.06 121.76 120.75 3cma s ALA 75 Ca 0.20 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 3cma s ALA 75 Cb -0.11 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 3cma s ALA 75 CO 0.12 -0.10 0.03 0.50 0.00 0.00 0.00 175.76 176.31 3cma s ARG 76 N 1.04 3.85 0.00 0.00 3.52 -1.26 -1.35 118.95 124.75 3cma s ARG 76 Ca -0.06 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 3cma s ARG 76 Cb -0.15 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 3cma s ARG 76 CO -0.02 0.28 0.00 1.97 -0.81 0.00 0.00 175.30 176.72 3cma n PHE 77 N 3.49 0.00 -0.03 5.12 1.16 -0.90 -4.67 117.46 121.63 3cma n PHE 77 Ca -0.17 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.40 3cma n PHE 77 Cb 0.52 0.12 -0.00 0.00 -1.61 0.00 0.00 39.48 38.51 3cma n PHE 77 CO 0.00 0.00 0.00 1.05 -1.87 0.00 0.00 176.76 175.94 3cma h GLU 78 N 0.00 0.00 -0.27 3.97 4.11 -2.29 -2.88 114.58 117.22 3cma h GLU 78 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.48 3cma h GLU 78 Cb 0.77 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 3cma h GLU 78 CO 0.00 0.00 -0.04 1.05 0.07 0.00 0.00 179.01 180.09 3cma h GLU 79 N -0.44 0.03 -0.31 1.06 -0.00 -2.04 -2.79 114.58 110.09 3cma h GLU 79 Ca 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 3cma h GLU 79 Cb 0.17 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 28.90 3cma h GLU 79 CO 0.00 0.02 0.07 1.49 -0.00 0.00 0.00 179.01 180.59 3cma h GLU 80 N 0.03 0.51 -0.20 1.06 4.81 -2.08 -3.49 114.58 115.23 3cma h GLU 80 Ca 0.13 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3cma h GLU 80 Cb 0.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3cma h GLU 80 CO -0.25 0.58 0.00 0.41 -0.73 0.00 0.00 179.01 179.02 3cma n GLY 81 N -0.54 0.05 3.21 1.92 0.00 -1.06 -5.07 105.19 103.71 3cma n GLY 81 Ca -0.02 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 3cma n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3cma s GLU 82 N -0.15 0.87 0.05 1.61 4.04 -1.09 -4.67 118.70 119.37 3cma s GLU 82 Ca 0.00 -1.02 0.08 0.00 0.04 0.00 0.00 54.97 54.07 3cma s GLU 82 Cb 0.00 0.33 -0.03 0.00 0.02 0.00 0.00 34.13 34.45 3cma s GLU 82 CO 0.00 -0.27 -0.21 0.00 -1.84 0.00 0.00 175.26 172.94 3cma s ALA 83 N -3.88 2.49 -0.11 -0.84 0.00 -1.19 -2.12 121.76 116.12 3cma s ALA 83 Ca 0.07 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.82 3cma s ALA 83 Cb 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.54 3cma s ALA 83 CO -0.09 0.56 -0.22 0.42 0.00 0.00 0.00 175.76 176.43 3cma s ILE 84 N -0.92 1.97 0.16 0.00 1.01 -0.46 -0.95 121.20 122.01 3cma s ILE 84 Ca 0.14 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.89 3cma s ILE 84 Cb -0.10 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3cma s ILE 84 CO 0.05 0.54 -0.12 -0.69 0.00 0.00 0.00 174.94 174.72 3cma s VAL 85 N 0.53 1.33 0.26 2.92 1.01 -0.69 -1.07 120.40 124.68 3cma s VAL 85 Ca -0.15 -2.03 -0.12 0.00 0.00 0.00 0.00 61.98 59.69 3cma s VAL 85 Cb -0.17 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 3cma s VAL 85 CO 0.05 -0.65 0.48 -1.83 0.00 0.00 0.00 175.10 173.15 3cma s GLU 86 N -3.51 1.59 0.00 2.72 -1.05 -0.97 -0.76 118.70 116.72 3cma s GLU 86 Ca 0.16 -1.31 0.00 0.00 -0.15 0.00 0.00 54.97 53.68 3cma s GLU 86 Cb 0.00 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 3cma s GLU 86 CO 0.02 -0.66 0.00 0.00 0.95 0.00 0.00 175.26 175.58 3cma n ALA 87 N -0.40 0.00 0.00 -0.84 0.00 -1.26 -1.60 120.51 116.41 3cma n ALA 87 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3cma n ALA 87 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3cma n ALA 87 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65