#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s TRP 2 N 0.00 3.56 0.01 0.66 1.48 -1.26 -5.10 118.94 118.29 3cma s TRP 2 Ca 0.00 0.82 0.04 0.00 -1.06 0.00 0.00 56.10 55.90 3cma s TRP 2 Cb 0.00 -2.33 -0.03 0.00 -1.16 0.00 0.00 33.47 29.95 3cma s TRP 2 CO 0.00 -0.31 -0.08 -0.51 -4.06 0.00 0.00 176.95 171.99 3cma s ASP 3 N -4.12 4.53 0.02 -2.66 1.01 -1.26 -5.07 116.67 109.13 3cma s ASP 3 Ca 0.48 -0.17 -0.21 0.00 0.71 0.00 0.00 52.55 53.35 3cma s ASP 3 Cb -0.10 -1.03 -0.12 0.00 1.01 0.00 0.00 42.92 42.68 3cma s ASP 3 CO 0.45 0.28 1.12 0.58 0.21 0.00 0.00 175.17 177.82 3cma h VAL 4 N 3.79 0.00 -3.33 -1.27 2.07 -1.94 -3.38 116.25 112.18 3cma h VAL 4 Ca -0.48 -0.14 -0.57 0.00 0.82 0.00 0.00 66.70 66.33 3cma h VAL 4 Cb 1.17 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 3cma h VAL 4 CO 0.53 0.00 0.88 -0.63 0.02 0.00 0.00 177.57 178.37 3cma s ILE 5 N -4.37 4.39 -0.17 4.57 1.01 -1.26 -1.35 121.20 124.03 3cma s ILE 5 Ca -0.11 1.58 -0.24 0.00 0.00 0.00 0.00 60.65 61.88 3cma s ILE 5 Cb 0.01 -4.39 -0.22 0.00 0.01 0.00 0.00 42.46 37.86 3cma s ILE 5 CO 0.34 -0.55 0.44 0.11 0.00 0.00 0.00 174.94 175.28 3cma h LYS 6 N 8.48 0.03 -1.12 2.79 1.57 -1.33 -3.49 116.57 123.50 3cma h LYS 6 Ca -0.22 -0.04 0.27 0.00 -1.87 0.00 0.00 60.65 58.79 3cma h LYS 6 Cb 1.07 0.02 -0.24 0.00 0.08 0.00 0.00 32.23 33.16 3cma h LYS 6 CO 1.05 1.02 0.93 -3.38 -0.57 0.00 0.00 179.45 178.50 3cma s HIS 7 N -2.33 -0.05 0.36 -1.35 -3.43 -1.16 -5.01 115.29 102.33 3cma s HIS 7 Ca -0.24 0.06 -0.28 0.00 -0.80 0.00 0.00 55.06 53.80 3cma s HIS 7 Cb 0.03 0.50 -0.10 0.00 -1.43 0.00 0.00 32.58 31.57 3cma s HIS 7 CO 0.64 -0.06 1.36 -2.14 -2.00 0.00 0.00 174.74 172.54 3cma s PRO 8 N -1.56 4.20 -0.51 -0.38 0.02 -1.26 -0.64 135.00 134.87 3cma s PRO 8 Ca 0.10 2.30 -0.16 0.00 0.02 0.00 0.00 61.00 63.25 3cma s PRO 8 Cb -0.01 -2.97 0.09 0.00 0.02 0.00 0.00 34.50 31.63 3cma s PRO 8 CO -0.05 -0.35 0.49 -1.58 -0.33 0.00 0.00 177.00 175.17 3cma s HIS 9 N -1.16 3.20 -0.39 6.54 2.46 -0.26 -4.75 115.29 120.93 3cma s HIS 9 Ca 0.52 -0.99 -0.09 0.00 0.47 0.00 0.00 55.06 54.97 3cma s HIS 9 Cb -0.41 -3.49 0.06 0.00 -0.13 0.00 0.00 32.58 28.61 3cma s HIS 9 CO 0.55 -0.94 0.21 0.54 -2.47 0.00 0.00 174.74 172.63 3cma s VAL 10 N 1.85 4.16 0.16 0.89 0.11 -1.26 -4.58 120.40 121.73 3cma s VAL 10 Ca 0.06 -1.25 -0.08 0.00 -2.93 0.00 0.00 61.98 57.78 3cma s VAL 10 Cb -0.25 -3.46 -0.01 0.00 -1.53 0.00 0.00 36.38 31.12 3cma s VAL 10 CO 0.06 -0.38 0.26 0.42 -3.33 0.00 0.00 175.10 172.13 3cma s THR 11 N 1.44 0.07 0.16 5.04 -4.23 -1.26 -5.01 115.64 111.84 3cma s THR 11 Ca 0.02 -1.47 -0.29 0.00 -1.18 0.00 0.00 61.69 58.77 3cma s THR 11 Cb -0.21 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.71 3cma s THR 11 CO 0.03 -0.30 1.55 -0.33 -0.54 0.00 0.00 174.62 175.03 3cma h GLU 12 N 2.58 -0.19 -0.84 3.99 3.07 -2.00 0.25 114.58 121.44 3cma h GLU 12 Ca -0.32 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 58.67 3cma h GLU 12 Cb 1.23 0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 29.10 3cma h GLU 12 CO 0.49 -0.13 0.47 -0.22 -1.40 0.00 0.00 179.01 178.23 3cma h LYS 13 N -0.20 0.73 -0.79 2.33 3.64 -1.99 -1.40 116.57 118.89 3cma h LYS 13 Ca 0.16 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3cma h LYS 13 Cb 0.54 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 3cma h LYS 13 CO -0.75 0.48 0.51 0.00 -2.27 0.00 0.00 179.45 177.42 3cma h ALA 14 N 1.49 1.03 -0.19 5.00 0.00 -0.89 -2.44 119.26 123.25 3cma h ALA 14 Ca 0.42 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 3cma h ALA 14 Cb 0.46 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3cma h ALA 14 CO -0.28 0.36 0.12 0.52 0.00 0.00 0.00 179.25 179.97 3cma h MET 15 N 1.02 0.26 -0.60 0.00 2.86 0.00 -2.43 114.93 116.04 3cma h MET 15 Ca 0.31 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.96 3cma h MET 15 Cb -0.04 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 3cma h MET 15 CO -0.09 0.21 0.36 -0.91 1.06 0.00 0.00 176.91 177.53 3cma h ASN 16 N 0.24 0.56 0.12 1.22 2.35 -1.19 0.36 115.58 119.24 3cma h ASN 16 Ca 0.07 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3cma h ASN 16 Cb 0.01 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3cma h ASN 16 CO -0.01 0.39 0.00 0.44 -1.65 0.00 0.00 177.43 176.59 3cma h ASP 17 N 0.69 0.00 0.12 5.81 5.19 -1.21 0.28 116.42 127.30 3cma h ASP 17 Ca 0.25 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.35 3cma h ASP 17 Cb 0.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 3cma h ASP 17 CO -0.12 0.00 -1.62 -0.03 -3.12 0.00 0.00 179.24 174.35 3cma h MET 18 N 0.00 0.25 0.17 3.56 4.05 0.03 0.29 114.93 123.27 3cma h MET 18 Ca 0.00 -0.43 -0.31 0.00 -0.28 0.00 0.00 59.70 58.68 3cma h MET 18 Cb 0.06 0.16 0.03 0.00 -0.80 0.00 0.00 31.60 31.05 3cma h MET 18 CO 0.00 1.21 -1.32 -0.44 0.23 0.00 0.00 176.91 176.59 3cma h ASP 19 N -0.20 0.77 0.20 1.39 3.32 -0.02 -3.16 116.42 118.72 3cma h ASP 19 Ca -0.35 -0.76 -0.06 0.00 0.02 0.00 0.00 57.03 55.88 3cma h ASP 19 Cb 1.85 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 41.14 3cma h ASP 19 CO 0.06 1.58 -1.85 0.49 -1.72 0.00 0.00 179.24 177.80 3cma n PHE 20 N -3.72 0.22 -0.64 4.55 0.99 0.94 -4.64 117.46 115.17 3cma n PHE 20 Ca -0.14 0.07 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 3cma n PHE 20 Cb 1.03 -0.67 0.01 0.00 -1.00 0.00 0.00 39.48 38.84 3cma n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3cma n GLN 21 N -2.43 1.29 -3.87 -1.08 6.02 -1.06 -5.01 117.38 111.24 3cma n GLN 21 Ca -0.07 -1.03 -0.27 0.00 -0.01 0.00 0.00 57.00 55.62 3cma n GLN 21 Cb 0.66 -0.75 0.02 0.00 1.02 0.00 0.00 30.24 31.19 3cma n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3cma n ASN 22 N -0.27 -2.91 -4.28 1.08 5.15 -0.97 -4.78 115.26 108.28 3cma n ASN 22 Ca 0.01 -0.84 -0.31 0.00 -0.60 0.00 0.00 54.58 52.84 3cma n ASN 22 Cb 0.41 -3.77 -0.16 0.00 -0.53 0.00 0.00 39.78 35.73 3cma n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3cma s LYS 23 N -6.41 2.35 -0.05 1.20 1.02 0.97 -1.45 119.74 117.37 3cma s LYS 23 Ca 0.36 -0.91 0.02 0.00 0.02 0.00 0.00 55.97 55.47 3cma s LYS 23 Cb -0.18 -2.10 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 3cma s LYS 23 CO 0.84 0.45 -0.10 -0.51 -0.92 0.00 0.00 175.35 175.11 3cma s LEU 24 N -0.35 2.99 -0.13 3.17 1.43 0.16 -2.79 118.68 123.15 3cma s LEU 24 Ca 0.02 -0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 52.98 3cma s LEU 24 Cb -0.12 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 3cma s LEU 24 CO 0.02 0.34 -0.03 -1.10 0.23 0.00 0.00 176.35 175.80 3cma s GLN 25 N -0.89 3.42 0.23 1.70 -0.21 -1.26 -0.23 119.66 122.42 3cma s GLN 25 Ca 0.13 -0.50 0.07 0.00 0.02 0.00 0.00 55.36 55.07 3cma s GLN 25 Cb -0.11 -2.85 -0.05 0.00 1.00 0.00 0.00 33.01 31.00 3cma s GLN 25 CO 0.02 0.39 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.43 3cma s PHE 26 N -0.04 1.74 -0.18 0.91 0.40 -0.03 -1.11 117.98 119.68 3cma s PHE 26 Ca 0.01 -0.68 -0.07 0.00 -0.60 0.00 0.00 56.93 55.59 3cma s PHE 26 Cb -0.13 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.45 3cma s PHE 26 CO 0.03 0.26 0.06 0.00 0.70 0.00 0.00 175.22 176.26 3cma s ALA 27 N -3.07 3.41 0.25 5.36 0.00 0.19 -0.70 121.76 127.20 3cma s ALA 27 Ca 0.25 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.48 3cma s ALA 27 Cb 0.02 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.17 3cma s ALA 27 CO 0.08 0.18 0.10 0.14 0.00 0.00 0.00 175.76 176.26 3cma s VAL 28 N 0.37 0.53 -0.08 0.00 -7.23 0.39 -1.01 120.40 113.38 3cma s VAL 28 Ca 0.03 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.90 3cma s VAL 28 Cb -0.12 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 3cma s VAL 28 CO 0.00 -0.01 1.44 -0.62 -0.31 0.00 0.00 175.10 175.60 3cma s ASP 29 N -3.30 6.82 0.00 4.85 -1.08 -0.45 -2.53 116.67 120.98 3cma s ASP 29 Ca 0.38 2.00 0.00 0.00 -0.52 0.00 0.00 52.55 54.41 3cma s ASP 29 Cb 0.08 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 3cma s ASP 29 CO 0.13 -0.81 0.68 -0.90 0.52 0.00 0.00 175.17 174.80 3cma n ASP 30 N 6.44 0.00 0.01 -0.34 5.75 -1.26 0.40 116.55 127.55 3cma n ASP 30 Ca 0.15 0.22 0.12 0.00 -0.01 0.00 0.00 54.79 55.27 3cma n ASP 30 Cb 0.44 -0.22 0.16 0.00 -1.03 0.00 0.00 41.12 40.46 3cma n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3cma n ARG 31 N -1.18 0.10 -2.56 0.11 1.74 -1.26 -4.91 116.66 108.70 3cma n ARG 31 Ca 0.00 0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.73 3cma n ARG 31 Cb 0.05 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 29.91 3cma n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cma s ALA 32 N -3.06 3.06 0.36 7.54 0.00 0.16 -5.06 121.76 124.76 3cma s ALA 32 Ca 0.09 0.68 0.07 0.00 0.00 0.00 0.00 51.96 52.80 3cma s ALA 32 Cb 0.16 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 3cma s ALA 32 CO 0.74 -0.21 0.39 -1.54 0.00 0.00 0.00 175.76 175.15 3cma s SER 33 N -1.63 5.48 0.19 0.00 1.04 -1.26 -4.93 113.70 112.59 3cma s SER 33 Ca 0.59 -0.45 -0.12 0.00 0.48 0.00 0.00 55.95 56.45 3cma s SER 33 Cb -0.21 -0.93 0.21 0.00 0.10 0.00 0.00 66.02 65.19 3cma s SER 33 CO 0.26 -0.48 1.72 0.11 0.98 0.00 0.00 173.24 175.83 3cma h LYS 34 N 1.03 0.25 -0.15 4.02 1.57 -1.97 0.14 116.57 121.47 3cma h LYS 34 Ca -0.44 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.36 3cma h LYS 34 Cb 1.26 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 3cma h LYS 34 CO 0.55 0.17 -0.05 0.78 -0.57 0.00 0.00 179.45 180.33 3cma h GLY 35 N 0.26 0.09 1.25 3.86 0.00 -1.95 0.12 103.07 106.71 3cma h GLY 35 Ca 0.26 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3cma h GLY 35 CO -0.32 -0.07 0.48 0.83 0.00 0.00 0.00 176.54 177.46 3cma h GLU 36 N -0.02 1.00 -0.33 4.80 5.08 -1.72 -1.76 114.58 121.63 3cma h GLU 36 Ca 0.07 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 3cma h GLU 36 Cb 0.13 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3cma h GLU 36 CO -0.16 0.68 -0.13 0.28 -1.00 0.00 0.00 179.01 178.68 3cma h VAL 37 N 1.02 1.29 0.52 3.13 2.07 -0.18 -2.11 116.25 122.00 3cma h VAL 37 Ca 0.27 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 3cma h VAL 37 Cb -0.09 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3cma h VAL 37 CO -0.06 0.40 -0.44 0.00 0.02 0.00 0.00 177.57 177.49 3cma h ALA 38 N 0.78 -1.15 -0.06 1.67 0.00 -0.14 -0.99 119.26 119.38 3cma h ALA 38 Ca 0.08 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3cma h ALA 38 Cb 0.65 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 3cma h ALA 38 CO 0.04 -1.15 -0.33 -0.44 0.00 0.00 0.00 179.25 177.37 3cma h ASP 39 N -0.94 -1.02 -0.73 0.00 3.32 -1.40 -1.57 116.42 114.08 3cma h ASP 39 Ca -0.07 0.14 0.13 0.00 0.02 0.00 0.00 57.03 57.25 3cma h ASP 39 Cb 0.79 0.42 -0.13 0.00 0.22 0.00 0.00 39.33 40.63 3cma h ASP 39 CO -0.01 -0.38 -0.33 0.00 -1.72 0.00 0.00 179.24 176.80 3cma h ALA 40 N 0.28 0.10 -0.83 3.45 0.00 -1.26 0.12 119.26 121.12 3cma h ALA 40 Ca 0.07 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3cma h ALA 40 Cb 0.57 0.81 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 3cma h ALA 40 CO -0.31 -0.62 0.53 0.28 0.00 0.00 0.00 179.25 179.13 3cma h VAL 41 N -0.09 1.22 0.18 0.00 2.07 -0.53 -1.89 116.25 117.21 3cma h VAL 41 Ca 0.29 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3cma h VAL 41 Cb 0.57 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3cma h VAL 41 CO -0.78 0.22 -0.09 -0.33 0.02 0.00 0.00 177.57 176.61 3cma h GLU 42 N 1.13 -0.24 0.00 1.57 5.08 0.13 -1.72 114.58 120.53 3cma h GLU 42 Ca 0.30 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3cma h GLU 42 Cb -0.10 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3cma h GLU 42 CO -0.06 0.02 0.00 0.93 -1.00 0.00 0.00 179.01 178.90 3cma h GLU 43 N -0.48 0.00 0.00 2.33 5.08 -1.03 0.38 114.58 120.86 3cma h GLU 43 Ca -0.03 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 3cma h GLU 43 Cb 0.37 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3cma h GLU 43 CO 0.04 0.00 -1.81 1.04 -1.00 0.00 0.00 179.01 177.28 3cma n GLN 44 N -2.45 0.65 0.00 2.33 1.13 -0.72 -4.52 117.38 113.79 3cma n GLN 44 Ca -0.00 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 3cma n GLN 44 Cb 0.14 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 28.84 3cma n GLN 44 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3cma n TYR 45 N -2.66 0.00 -3.64 1.08 4.02 -0.67 -5.02 117.16 110.27 3cma n TYR 45 Ca -0.14 -0.18 -0.28 0.00 -0.01 0.00 0.00 57.90 57.29 3cma n TYR 45 Cb 0.83 -0.02 0.04 0.00 -0.02 0.00 0.00 39.34 40.17 3cma n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3cma n ASP 46 N -0.18 -4.98 -3.92 7.72 -0.08 0.13 -4.99 116.55 110.25 3cma n ASP 46 Ca 0.00 -0.96 -0.24 0.00 -1.51 0.00 0.00 54.79 52.08 3cma n ASP 46 Cb 0.25 -3.65 -0.08 0.00 2.34 0.00 0.00 41.12 39.98 3cma n ASP 46 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3cma s VAL 47 N -3.49 0.42 -0.20 5.18 -7.23 -1.18 -5.07 120.40 108.82 3cma s VAL 47 Ca 0.42 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.60 3cma s VAL 47 Cb -0.14 -2.39 0.04 0.00 0.56 0.00 0.00 36.38 34.46 3cma s VAL 47 CO 0.84 0.00 -0.13 -0.89 -0.31 0.00 0.00 175.10 174.61 3cma s THR 48 N -3.30 1.80 0.02 5.32 2.01 -1.26 -4.57 115.64 115.67 3cma s THR 48 Ca 0.28 -1.04 -0.27 0.00 0.31 0.00 0.00 61.69 60.98 3cma s THR 48 Cb 0.02 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 3cma s THR 48 CO 0.18 0.26 0.85 -0.69 -0.69 0.00 0.00 174.62 174.53 3cma s VAL 49 N 1.34 4.80 -0.13 3.82 1.01 -1.26 -1.33 120.40 128.64 3cma s VAL 49 Ca -0.00 1.79 0.16 0.00 0.00 0.00 0.00 61.98 63.93 3cma s VAL 49 Cb -0.16 -4.19 -0.23 0.00 0.00 0.00 0.00 36.38 31.80 3cma s VAL 49 CO -0.09 0.27 0.15 -0.62 0.00 0.00 0.00 175.10 174.81 3cma n GLU 50 N 3.32 1.02 -3.55 2.72 -0.58 0.54 -4.91 120.64 119.20 3cma n GLU 50 Ca 0.01 -0.05 -0.14 0.00 -0.42 0.00 0.00 57.16 56.57 3cma n GLU 50 Cb 0.50 -1.44 -0.05 0.00 -0.57 0.00 0.00 31.44 29.88 3cma n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3cma s GLN 51 N -2.64 0.78 -0.04 3.49 0.74 -1.22 -5.01 119.66 115.76 3cma s GLN 51 Ca -0.08 0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.53 3cma s GLN 51 Cb 0.07 0.37 0.02 0.00 1.10 0.00 0.00 33.01 34.57 3cma s GLN 51 CO 0.73 -0.24 -0.02 0.08 -0.55 0.00 0.00 175.29 175.29 3cma s VAL 52 N -1.13 0.36 -0.06 1.34 1.01 -1.26 -1.01 120.40 119.65 3cma s VAL 52 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3cma s VAL 52 Cb -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 3cma s VAL 52 CO 0.05 0.20 -0.15 0.20 0.00 0.00 0.00 175.10 175.40 3cma s ASN 53 N 1.14 3.97 0.17 3.32 0.01 -0.42 -4.95 114.94 118.19 3cma s ASN 53 Ca -0.08 -0.24 0.09 0.00 -0.71 0.00 0.00 52.86 51.92 3cma s ASN 53 Cb -0.14 -0.98 -0.04 0.00 0.41 0.00 0.00 41.25 40.50 3cma s ASN 53 CO -0.01 0.31 -0.19 0.42 -1.51 0.00 0.00 177.10 176.11 3cma s THR 54 N -0.50 1.90 -0.20 1.60 -4.23 -1.26 -0.00 115.64 112.95 3cma s THR 54 Ca 0.07 -1.96 -0.16 0.00 -1.18 0.00 0.00 61.69 58.46 3cma s THR 54 Cb -0.12 -1.90 0.06 0.00 1.34 0.00 0.00 72.50 71.88 3cma s THR 54 CO 0.02 -0.30 0.52 -1.58 -0.54 0.00 0.00 174.62 172.73 3cma s GLN 55 N -2.83 0.58 -0.48 3.99 0.74 -0.48 -5.02 119.66 116.17 3cma s GLN 55 Ca 0.17 0.80 -0.22 0.00 0.05 0.00 0.00 55.36 56.16 3cma s GLN 55 Cb -0.06 0.22 0.03 0.00 1.10 0.00 0.00 33.01 34.30 3cma s GLN 55 CO 0.07 -0.10 0.75 -0.80 -0.55 0.00 0.00 175.29 174.66 3cma s ASN 56 N 0.66 6.34 1.03 6.67 0.01 -1.26 -0.98 114.94 127.41 3cma s ASN 56 Ca -0.03 -0.35 -0.12 0.00 -0.71 0.00 0.00 52.86 51.65 3cma s ASN 56 Cb -0.05 -2.36 0.21 0.00 0.41 0.00 0.00 41.25 39.46 3cma s ASN 56 CO -0.04 -0.93 1.07 -0.89 -1.51 0.00 0.00 177.10 174.79 3cma s THR 57 N 3.18 2.19 -0.49 1.60 2.01 -0.72 -4.92 115.64 118.50 3cma s THR 57 Ca 0.26 0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.40 3cma s THR 57 Cb -0.14 -2.33 0.53 0.00 0.01 0.00 0.00 72.50 70.57 3cma s THR 57 CO 0.19 -0.08 1.35 0.23 -0.69 0.00 0.00 174.62 175.62 3cma n MET 58 N -4.41 3.41 -0.02 4.92 2.81 -1.26 -3.43 117.12 119.14 3cma n MET 58 Ca 0.05 -2.06 0.03 0.00 -1.81 0.00 0.00 57.70 53.91 3cma n MET 58 Cb 0.55 -1.99 0.03 0.00 -0.71 0.00 0.00 33.22 31.11 3cma n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3cma n ASP 59 N 0.32 1.65 0.00 7.83 10.43 -1.26 -4.99 116.55 130.53 3cma n ASP 59 Ca 0.20 -1.37 0.00 0.00 2.57 0.00 0.00 54.79 56.19 3cma n ASP 59 Cb 0.91 -0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.85 3cma n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3cma n GLY 60 N 0.27 3.24 3.87 0.44 0.00 -1.22 -5.03 105.19 106.76 3cma n GLY 60 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 3cma n GLY 60 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cma n GLU 61 N -1.98 -0.02 -5.01 1.61 1.02 -1.26 -4.90 120.64 110.10 3cma n GLU 61 Ca 0.00 -2.76 -0.32 0.00 -0.02 0.00 0.00 57.16 54.06 3cma n GLU 61 Cb 0.00 -0.61 -0.17 0.00 -0.02 0.00 0.00 31.44 30.64 3cma n GLU 61 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3cma s LYS 62 N -5.04 3.04 -0.11 3.49 2.20 -1.05 -1.75 119.74 120.52 3cma s LYS 62 Ca 0.65 -0.87 -0.05 0.00 -0.36 0.00 0.00 55.97 55.34 3cma s LYS 62 Cb -0.04 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.89 3cma s LYS 62 CO 0.43 0.11 0.08 0.21 -0.36 0.00 0.00 175.35 175.82 3cma s LYS 63 N 0.52 3.33 -0.05 4.03 2.20 -0.15 0.15 119.74 129.77 3cma s LYS 63 Ca -0.14 -0.26 0.04 0.00 -0.36 0.00 0.00 55.97 55.25 3cma s LYS 63 Cb -0.17 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 3cma s LYS 63 CO 0.05 0.70 -0.15 0.00 -0.36 0.00 0.00 175.35 175.58 3cma s ALA 64 N -0.82 1.39 -0.44 3.13 0.00 0.12 -1.38 121.76 123.76 3cma s ALA 64 Ca 0.13 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 3cma s ALA 64 Cb -0.12 -0.50 0.08 0.00 0.00 0.00 0.00 23.12 22.58 3cma s ALA 64 CO 0.03 0.22 0.30 0.08 0.00 0.00 0.00 175.76 176.39 3cma s VAL 65 N 0.22 4.53 -0.23 0.00 1.01 0.10 -0.85 120.40 125.18 3cma s VAL 65 Ca -0.07 -1.31 -0.09 0.00 0.00 0.00 0.00 61.98 60.51 3cma s VAL 65 Cb -0.12 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3cma s VAL 65 CO 0.03 -0.54 0.12 -0.69 0.00 0.00 0.00 175.10 174.02 3cma s VAL 66 N 1.49 4.99 -0.18 2.92 1.01 0.68 -1.30 120.40 130.01 3cma s VAL 66 Ca 0.03 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 3cma s VAL 66 Cb -0.24 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 3cma s VAL 66 CO 0.03 0.36 0.19 -0.60 0.00 0.00 0.00 175.10 175.08 3cma s ARG 67 N 1.11 4.16 0.62 2.72 3.52 -0.18 0.35 118.95 131.25 3cma s ARG 67 Ca 0.06 -0.09 -0.01 0.00 -0.13 0.00 0.00 55.73 55.56 3cma s ARG 67 Cb -0.14 -3.40 0.06 0.00 -1.56 0.00 0.00 34.95 29.91 3cma s ARG 67 CO 0.04 0.32 0.87 -0.51 -0.81 0.00 0.00 175.30 175.21 3cma s LEU 68 N 0.28 3.12 0.66 -0.88 1.43 -0.53 -0.34 118.68 122.42 3cma s LEU 68 Ca 0.12 0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.16 3cma s LEU 68 Cb -0.12 -2.73 0.03 0.00 0.03 0.00 0.00 46.19 43.40 3cma s LEU 68 CO 0.01 -1.39 0.99 -0.94 0.23 0.00 0.00 176.35 175.24 3cma s SER 69 N -4.51 5.26 0.63 2.29 1.04 -0.44 -4.59 113.70 113.38 3cma s SER 69 Ca 0.60 0.71 0.40 0.00 0.48 0.00 0.00 55.95 58.14 3cma s SER 69 Cb -0.09 -1.53 2.08 0.00 0.10 0.00 0.00 66.02 66.58 3cma s SER 69 CO 0.41 -1.33 2.25 -0.33 0.98 0.00 0.00 173.24 175.23 3cma h GLU 70 N -0.44 0.00 0.00 4.02 5.08 -1.99 -1.65 114.58 119.60 3cma h GLU 70 Ca -0.45 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 3cma h GLU 70 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 3cma h GLU 70 CO 0.61 0.01 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.07 3cma h ASP 71 N 0.00 0.00 -2.96 1.42 3.32 -1.97 -3.44 116.42 112.79 3cma h ASP 71 Ca -0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 3cma h ASP 71 Cb 0.15 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 3cma h ASP 71 CO 0.00 0.13 -0.53 -1.81 -1.72 0.00 0.00 179.24 175.31 3cma s ASP 72 N -6.19 6.14 -0.31 6.45 1.01 -0.62 -5.09 116.67 118.07 3cma s ASP 72 Ca 0.05 0.22 0.03 0.00 0.71 0.00 0.00 52.55 53.56 3cma s ASP 72 Cb 0.07 -1.84 0.08 0.00 1.01 0.00 0.00 42.92 42.24 3cma s ASP 72 CO 0.67 0.20 -0.00 -0.62 0.21 0.00 0.00 175.17 175.62 3cma s ASP 73 N -2.32 4.56 0.19 0.27 -1.08 -1.26 -4.63 116.67 112.40 3cma s ASP 73 Ca 0.31 -1.82 -0.22 0.00 -0.52 0.00 0.00 52.55 50.30 3cma s ASP 73 Cb -0.13 -1.53 0.11 0.00 -1.46 0.00 0.00 42.92 39.91 3cma s ASP 73 CO 0.24 -0.31 1.57 0.00 0.52 0.00 0.00 175.17 177.18 3cma h ALA 74 N 7.71 -0.13 -0.72 3.66 0.00 -1.85 0.17 119.26 128.10 3cma h ALA 74 Ca -0.10 0.17 0.16 0.00 0.00 0.00 0.00 54.91 55.14 3cma h ALA 74 Cb 1.03 0.96 -0.12 0.00 0.00 0.00 0.00 17.79 19.66 3cma h ALA 74 CO 0.49 -0.74 0.03 1.96 0.00 0.00 0.00 179.25 180.99 3cma h GLN 75 N -0.13 0.12 -0.40 0.00 4.20 -1.95 -0.75 115.11 116.20 3cma h GLN 75 Ca 0.24 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.80 3cma h GLN 75 Cb 0.56 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3cma h GLN 75 CO -0.79 0.08 -0.32 0.93 -0.67 0.00 0.00 178.83 178.06 3cma h GLU 76 N 0.13 0.93 -7.23 1.46 5.08 -1.49 -1.68 114.58 111.77 3cma h GLU 76 Ca 0.40 -0.46 -0.43 0.00 -1.00 0.00 0.00 59.36 57.87 3cma h GLU 76 Cb 0.69 0.00 0.19 0.00 0.50 0.00 0.00 28.75 30.13 3cma h GLU 76 CO -0.61 1.12 0.06 0.08 -1.00 0.00 0.00 179.01 178.65 3cma s VAL 77 N -4.48 1.80 0.00 3.13 1.01 -0.13 -2.93 120.40 118.80 3cma s VAL 77 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3cma s VAL 77 Cb 0.11 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 34.22 3cma s VAL 77 CO 0.87 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.97 3cma n ALA 78 N -4.82 0.00 0.00 5.51 0.00 -1.26 -1.91 120.51 118.04 3cma n ALA 78 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3cma n ALA 78 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3cma n ALA 78 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3cma n SER 79 N -0.01 0.00 -0.10 0.00 3.41 -0.63 -0.32 113.62 115.97 3cma n SER 79 Ca 0.00 0.24 0.02 0.00 -0.26 0.00 0.00 58.87 58.87 3cma n SER 79 Cb 0.00 -0.24 0.03 0.00 -0.26 0.00 0.00 64.21 63.74 3cma n SER 79 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3cma n ARG 80 N -1.20 2.84 0.00 4.33 1.85 -0.80 -5.06 116.66 118.62 3cma n ARG 80 Ca 0.00 -1.68 0.00 0.00 -1.00 0.00 0.00 57.85 55.17 3cma n ARG 80 Cb 0.13 -1.09 0.00 0.00 -1.05 0.00 0.00 32.46 30.45 3cma n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06