#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvl n GLN 2 N 0.00 3.92 0.00 1.43 7.27 -1.26 -4.81 117.38 123.93 1nvl n GLN 2 Ca 0.00 -3.45 0.00 0.00 0.07 0.00 0.00 57.00 53.62 1nvl n GLN 2 Cb 0.00 -2.83 0.00 0.00 2.41 0.00 0.00 30.24 29.82 1nvl n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1nvl n ALA 3 N 3.21 0.00 -0.33 1.69 0.00 -1.26 -0.30 120.51 123.53 1nvl n ALA 3 Ca 0.48 0.00 0.21 0.00 0.00 0.00 0.00 53.44 54.14 1nvl n ALA 3 Cb 0.32 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.18 1nvl n ALA 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1nvl h GLU 4 N 0.00 0.07 0.21 0.00 4.39 -1.99 0.23 114.58 117.49 1nvl h GLU 4 Ca 0.00 -0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 1nvl h GLU 4 Cb 0.00 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1nvl h GLU 4 CO 0.00 0.05 -1.50 0.35 -1.16 0.00 0.00 179.01 176.74 1nvl h PHE 5 N 0.08 0.79 -0.22 4.33 3.57 -1.01 -2.77 116.94 121.70 1nvl h PHE 5 Ca 0.69 -0.58 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1nvl h PHE 5 Cb 1.61 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.30 1nvl h PHE 5 CO -0.24 1.52 0.10 -0.44 -2.23 0.00 0.00 178.31 177.02 1nvl h ASP 6 N 0.12 0.30 -0.58 0.41 3.32 -1.00 0.30 116.42 119.28 1nvl h ASP 6 Ca -0.25 -0.15 0.10 0.00 0.02 0.00 0.00 57.03 56.75 1nvl h ASP 6 Cb 2.11 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 41.50 1nvl h ASP 6 CO 0.23 0.36 0.15 0.50 -1.72 0.00 0.00 179.24 178.77 1nvl h LYS 7 N 0.21 0.29 0.13 3.56 3.64 -0.77 0.68 116.57 124.31 1nvl h LYS 7 Ca 0.07 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1nvl h LYS 7 Cb 0.15 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1nvl h LYS 7 CO -0.01 0.19 -0.06 0.00 -2.27 0.00 0.00 179.45 177.30 1nvl h ALA 8 N 1.45 -0.17 -0.53 5.00 0.00 -1.06 -0.77 119.26 123.18 1nvl h ALA 8 Ca 0.30 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1nvl h ALA 8 Cb 0.42 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 1nvl h ALA 8 CO -0.36 -0.42 -0.43 0.00 0.00 0.00 0.00 179.25 178.04 1nvl h ALA 9 N 0.27 -0.35 -0.26 0.00 0.00 0.11 0.42 119.26 119.45 1nvl h ALA 9 Ca -0.02 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1nvl h ALA 9 Cb 0.42 0.93 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1nvl h ALA 9 CO 0.03 -0.83 0.05 0.93 0.00 0.00 0.00 179.25 179.42 1nvl h GLU 10 N -0.25 0.14 -0.66 0.00 5.08 -0.87 0.78 114.58 118.79 1nvl h GLU 10 Ca 0.17 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.63 1nvl h GLU 10 Cb 0.57 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 1nvl h GLU 10 CO -0.65 0.09 0.22 0.93 -1.00 0.00 0.00 179.01 178.60 1nvl h GLU 11 N 0.14 0.36 -0.43 2.33 5.08 0.80 0.34 114.58 123.20 1nvl h GLU 11 Ca 0.12 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1nvl h GLU 11 Cb 0.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1nvl h GLU 11 CO -0.16 0.24 0.25 -0.24 -1.00 0.00 0.00 179.01 178.09 1nvl h VAL 12 N 0.37 1.15 -0.22 3.13 3.04 0.87 0.57 116.25 125.16 1nvl h VAL 12 Ca 0.34 -0.37 0.06 0.00 -1.01 0.00 0.00 66.70 65.73 1nvl h VAL 12 Cb 0.49 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 30.36 1nvl h VAL 12 CO -0.37 0.15 0.16 0.11 -1.01 0.00 0.00 177.57 176.62 1nvl h LYS 13 N 0.57 0.00 -0.01 4.17 1.57 0.41 0.12 116.57 123.40 1nvl h LYS 13 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1nvl h LYS 13 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1nvl h LYS 13 CO -0.03 0.00 -0.40 0.72 -0.57 0.00 0.00 179.45 179.17 1nvl n HIS 14 N -4.40 0.00 -0.97 -1.35 8.25 0.11 -4.53 115.22 112.33 1nvl n HIS 14 Ca 0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.29 1nvl n HIS 14 Cb 0.31 -0.06 -0.10 0.00 1.12 0.00 0.00 29.99 31.26 1nvl n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nvl n LEU 15 N -0.39 5.70 0.00 2.41 4.77 0.17 -4.73 117.00 124.93 1nvl n LEU 15 Ca 0.10 -3.24 0.00 0.00 -0.03 0.00 0.00 56.01 52.85 1nvl n LEU 15 Cb 0.41 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1nvl n LEU 15 CO 0.28 1.49 0.00 1.17 -1.33 0.00 0.00 177.39 179.00 1nvl n LYS 16 N 3.03 0.00 -4.08 3.23 4.81 -1.16 -4.65 118.16 119.34 1nvl n LYS 16 Ca 0.49 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.77 1nvl n LYS 16 Cb 0.56 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.47 1nvl n LYS 16 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1nvl s THR 17 N 0.00 0.32 -0.47 3.15 2.01 -1.26 -5.07 115.64 114.33 1nvl s THR 17 Ca 0.00 -0.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.59 1nvl s THR 17 Cb 0.00 -0.30 0.03 0.00 0.01 0.00 0.00 72.50 72.24 1nvl s THR 17 CO 0.00 0.11 1.04 -1.59 -0.69 0.00 0.00 174.62 173.49 1nvl s LYS 18 N 0.13 3.65 1.47 4.92 -2.85 -1.26 -5.01 119.74 120.78 1nvl s LYS 18 Ca -0.01 0.40 -0.24 0.00 -1.00 0.00 0.00 55.97 55.12 1nvl s LYS 18 Cb -0.04 -3.91 0.38 0.00 -2.06 0.00 0.00 37.83 32.19 1nvl s LYS 18 CO -0.00 -1.30 0.89 -2.30 0.10 0.00 0.00 175.35 172.73 1nvl n PRO 19 N 7.53 -4.73 -2.01 1.78 -0.02 -1.26 -4.95 135.00 131.34 1nvl n PRO 19 Ca 0.09 -1.40 -0.32 0.00 -2.02 0.00 0.00 63.50 59.85 1nvl n PRO 19 Cb 0.49 -1.95 0.01 0.00 -0.02 0.00 0.00 33.50 32.03 1nvl n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nvl s ALA 20 N -2.14 2.86 0.16 3.55 0.00 -1.26 -4.74 121.76 120.20 1nvl s ALA 20 Ca 0.68 0.21 -0.28 0.00 0.00 0.00 0.00 51.96 52.56 1nvl s ALA 20 Cb -0.13 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 1nvl s ALA 20 CO 0.58 -0.73 1.55 -0.44 0.00 0.00 0.00 175.76 176.72 1nvl h ASP 21 N 0.21 -1.74 0.03 0.00 5.19 -1.97 0.27 116.42 118.40 1nvl h ASP 21 Ca -0.46 0.27 0.03 0.00 -0.62 0.00 0.00 57.03 56.25 1nvl h ASP 21 Cb 1.20 0.77 -0.05 0.00 0.18 0.00 0.00 39.33 41.43 1nvl h ASP 21 CO 0.59 -0.33 -0.40 -0.33 -3.12 0.00 0.00 179.24 175.65 1nvl h GLU 22 N -0.21 -0.56 -0.71 3.56 5.08 -1.99 0.54 114.58 120.29 1nvl h GLU 22 Ca 0.16 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1nvl h GLU 22 Cb 0.54 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1nvl h GLU 22 CO -0.74 -0.37 0.47 0.93 -1.00 0.00 0.00 179.01 178.30 1nvl h GLU 23 N -0.58 0.84 0.80 2.33 5.08 -1.83 -0.72 114.58 120.50 1nvl h GLU 23 Ca 0.04 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1nvl h GLU 23 Cb 0.64 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1nvl h GLU 23 CO -0.29 0.56 -0.39 0.52 -1.00 0.00 0.00 179.01 178.41 1nvl h MET 24 N 0.86 -1.04 -0.91 2.33 2.86 0.86 -1.93 114.93 117.97 1nvl h MET 24 Ca 0.28 0.07 0.17 0.00 -2.06 0.00 0.00 59.70 58.16 1nvl h MET 24 Cb 0.06 0.24 -0.17 0.00 0.06 0.00 0.00 31.60 31.79 1nvl h MET 24 CO -0.08 -0.69 -0.28 -0.07 1.06 0.00 0.00 176.91 176.85 1nvl h LEU 25 N -1.08 -1.04 0.53 1.22 3.38 0.70 0.33 115.31 119.36 1nvl h LEU 25 Ca -0.11 0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1nvl h LEU 25 Cb 0.83 0.62 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1nvl h LEU 25 CO 0.18 -0.30 -0.29 0.15 0.09 0.00 0.00 178.44 178.27 1nvl h PHE 26 N -0.02 -0.75 -0.64 1.13 3.04 -0.97 0.33 116.94 119.06 1nvl h PHE 26 Ca 0.40 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.44 1nvl h PHE 26 Cb 0.64 0.26 -0.12 0.00 2.56 0.00 0.00 35.95 39.29 1nvl h PHE 26 CO -0.75 -0.45 -0.34 0.82 -2.02 0.00 0.00 178.31 175.57 1nvl h ILE 27 N -0.76 0.15 0.09 1.41 1.08 -0.36 0.04 117.51 119.17 1nvl h ILE 27 Ca -0.07 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1nvl h ILE 27 Cb 0.59 0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.48 1nvl h ILE 27 CO 0.10 0.00 -0.10 0.22 -0.69 0.00 0.00 178.15 177.68 1nvl h TYR 28 N -0.14 -0.27 -0.99 1.37 3.20 -0.30 0.23 116.97 120.06 1nvl h TYR 28 Ca 0.24 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.24 1nvl h TYR 28 Cb 0.56 0.11 -0.14 0.00 1.54 0.00 0.00 36.73 38.79 1nvl h TYR 28 CO -0.67 -0.13 -0.48 -1.13 -1.64 0.00 0.00 178.16 174.12 1nvl n SER 29 N -2.90 -0.83 0.22 -2.11 3.41 0.10 -0.14 113.62 111.37 1nvl n SER 29 Ca -0.02 1.75 -0.15 0.00 -0.26 0.00 0.00 58.87 60.18 1nvl n SER 29 Cb 0.09 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 63.64 1nvl n SER 29 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1nvl h HIS 30 N 0.00 -0.93 -0.78 7.33 3.86 -0.88 0.22 115.15 123.97 1nvl h HIS 30 Ca 0.26 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.54 1nvl h HIS 30 Cb 0.51 0.36 -0.06 0.00 1.06 0.00 0.00 27.41 29.28 1nvl h HIS 30 CO -0.94 -0.49 0.47 -0.92 0.86 0.00 0.00 177.93 176.91 1nvl h TYR 31 N -0.72 0.87 0.33 2.45 3.20 0.11 0.35 116.97 123.55 1nvl h TYR 31 Ca -0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1nvl h TYR 31 Cb 0.65 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1nvl h TYR 31 CO -0.20 0.43 -0.16 0.87 -1.64 0.00 0.00 178.16 177.46 1nvl h LYS 32 N 0.86 -0.42 -0.37 1.82 1.79 -0.11 -0.66 116.57 119.48 1nvl h LYS 32 Ca 0.35 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.84 1nvl h LYS 32 Cb 0.18 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 1nvl h LYS 32 CO -0.18 -0.21 0.20 -0.56 -1.08 0.00 0.00 179.45 177.63 1nvl h GLN 33 N -0.55 0.51 -0.91 3.15 3.07 -0.28 0.29 115.11 120.38 1nvl h GLN 33 Ca -0.04 -0.06 0.22 0.00 0.09 0.00 0.00 58.65 58.85 1nvl h GLN 33 Cb 0.41 -0.10 -0.06 0.00 0.08 0.00 0.00 27.48 27.80 1nvl h GLN 33 CO 0.07 0.42 0.61 0.00 0.09 0.00 0.00 178.83 180.02 1nvl h ALA 34 N 1.07 2.30 0.00 0.06 0.00 -0.18 0.24 119.26 122.75 1nvl h ALA 34 Ca 0.13 0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.75 1nvl h ALA 34 Cb 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1nvl h ALA 34 CO -0.02 -0.59 -2.12 0.25 0.00 0.00 0.00 179.25 176.77 1nvl n THR 35 N -4.48 1.12 -0.09 0.00 -2.24 -0.27 -4.65 114.28 103.67 1nvl n THR 35 Ca 0.20 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 1nvl n THR 35 Cb 0.75 -1.29 -0.06 0.00 -2.10 0.00 0.00 70.33 67.63 1nvl n THR 35 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1nvl n VAL 36 N -3.22 1.47 0.00 2.28 0.31 0.98 -5.09 118.33 115.07 1nvl n VAL 36 Ca -0.36 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1nvl n VAL 36 Cb 0.85 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 1nvl n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nvl n GLY 37 N 1.51 1.30 3.61 2.92 0.00 0.07 -5.00 105.19 109.59 1nvl n GLY 37 Ca -0.20 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 1nvl n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nvl s ASP 38 N -4.00 1.36 -0.35 1.61 1.11 -1.26 -4.17 116.67 110.97 1nvl s ASP 38 Ca 0.00 0.83 -0.13 0.00 0.18 0.00 0.00 52.55 53.43 1nvl s ASP 38 Cb 0.00 -1.23 -0.00 0.00 1.07 0.00 0.00 42.92 42.76 1nvl s ASP 38 CO 0.00 -3.87 0.24 -0.51 1.18 0.00 0.00 175.17 172.20 1nvl s ILE 39 N -2.96 5.10 -0.33 0.77 2.07 -1.26 -4.92 121.20 119.68 1nvl s ILE 39 Ca 0.69 -0.40 0.10 0.00 -1.41 0.00 0.00 60.65 59.63 1nvl s ILE 39 Cb -0.13 -3.68 0.71 0.00 0.13 0.00 0.00 42.46 39.49 1nvl s ILE 39 CO 0.57 -0.08 1.78 -0.46 -1.91 0.00 0.00 174.94 174.84 1nvl n ASN 40 N 5.09 4.51 -4.64 4.50 6.94 -1.26 -4.93 115.26 125.48 1nvl n ASN 40 Ca -0.12 -3.29 -0.31 0.00 -0.02 0.00 0.00 54.58 50.83 1nvl n ASN 40 Cb 0.49 -0.74 -0.08 0.00 -2.36 0.00 0.00 39.78 37.09 1nvl n ASN 40 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1nvl s THR 41 N -3.04 1.15 0.31 5.53 -4.23 -1.26 -5.16 115.64 108.94 1nvl s THR 41 Ca 0.54 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.12 1nvl s THR 41 Cb 0.44 -2.28 -0.03 0.00 1.34 0.00 0.00 72.50 71.97 1nvl s THR 41 CO 0.12 0.00 0.29 -1.83 -0.54 0.00 0.00 174.62 172.66 1nvl s GLU 42 N -3.83 2.82 -0.19 3.99 -1.05 -1.26 -5.08 118.70 114.10 1nvl s GLU 42 Ca 0.12 -1.20 -0.29 0.00 -0.15 0.00 0.00 54.97 53.45 1nvl s GLU 42 Cb 0.03 -2.54 -0.03 0.00 -0.44 0.00 0.00 34.13 31.15 1nvl s GLU 42 CO 0.06 0.17 1.55 0.50 0.95 0.00 0.00 175.26 178.49 1nvl s ARG 43 N -3.98 3.92 0.03 -4.83 3.52 -1.26 -4.94 118.95 111.41 1nvl s ARG 43 Ca 0.39 1.72 0.00 0.00 -0.13 0.00 0.00 55.73 57.71 1nvl s ARG 43 Cb -0.07 -3.98 0.00 0.00 -1.56 0.00 0.00 34.95 29.34 1nvl s ARG 43 CO 0.27 -1.13 0.06 -2.30 -0.81 0.00 0.00 175.30 171.38 1nvl n PRO 44 N 7.41 0.00 0.00 5.12 -0.01 -1.26 -4.78 135.00 141.48 1nvl n PRO 44 Ca 0.18 0.04 0.00 0.00 -0.01 0.00 0.00 63.50 63.70 1nvl n PRO 44 Cb 0.45 -0.17 0.00 0.00 -0.01 0.00 0.00 33.50 33.77 1nvl n PRO 44 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1nvl n GLY 45 N -0.35 0.00 0.00 -1.23 0.00 -1.26 -3.10 105.19 99.25 1nvl n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nvl n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nvl n MET 46 N 0.00 0.00 -2.52 1.61 2.81 -1.26 -4.63 117.12 113.13 1nvl n MET 46 Ca 0.00 0.90 -0.23 0.00 -1.81 0.00 0.00 57.70 56.57 1nvl n MET 46 Cb 0.00 -1.41 0.04 0.00 -0.71 0.00 0.00 33.22 31.15 1nvl n MET 46 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1nvl s LEU 47 N -5.25 3.16 0.00 4.03 1.02 -1.18 -5.07 118.68 115.39 1nvl s LEU 47 Ca 0.00 0.16 0.00 0.00 0.02 0.00 0.00 54.13 54.31 1nvl s LEU 47 Cb 0.00 -2.97 0.00 0.00 0.02 0.00 0.00 46.19 43.24 1nvl s LEU 47 CO 0.00 -1.25 0.00 0.47 0.02 0.00 0.00 176.35 175.59 1nvl n ASP 48 N -2.51 0.00 -0.19 2.29 8.00 -1.26 -3.94 116.55 118.93 1nvl n ASP 48 Ca 0.08 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.61 1nvl n ASP 48 Cb 0.60 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.99 1nvl n ASP 48 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1nvl h PHE 49 N 0.00 0.86 0.00 1.24 -0.00 -1.97 0.36 116.94 117.42 1nvl h PHE 49 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.99 1nvl h PHE 49 Cb 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 35.95 35.66 1nvl h PHE 49 CO 0.00 0.50 -0.81 -0.22 -0.00 0.00 0.00 178.31 177.78 1nvl h LYS 50 N 0.89 0.00 0.00 6.09 1.63 -1.99 -3.37 116.57 119.82 1nvl h LYS 50 Ca 0.29 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1nvl h LYS 50 Cb 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1nvl h LYS 50 CO -0.08 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.33 1nvl n GLY 51 N 1.24 -0.06 0.37 5.01 0.00 -0.92 -4.65 105.19 106.18 1nvl n GLY 51 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1nvl n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nvl h LYS 52 N 0.00 0.99 0.65 1.61 1.57 -0.45 -0.88 116.57 120.06 1nvl h LYS 52 Ca 0.00 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1nvl h LYS 52 Cb 0.00 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1nvl h LYS 52 CO 0.00 0.65 -0.49 0.00 -0.57 0.00 0.00 179.45 179.05 1nvl h ALA 53 N 1.52 -1.21 0.00 3.86 0.00 -1.48 0.67 119.26 122.62 1nvl h ALA 53 Ca 0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1nvl h ALA 53 Cb 0.35 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1nvl h ALA 53 CO -0.20 -1.20 -0.16 1.57 0.00 0.00 0.00 179.25 179.25 1nvl h LYS 54 N -1.09 0.00 0.27 0.00 2.10 -1.73 0.85 116.57 116.96 1nvl h LYS 54 Ca -0.09 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 1nvl h LYS 54 Cb 0.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 1nvl h LYS 54 CO 0.03 0.16 -0.13 2.35 -2.00 0.00 0.00 179.45 179.86 1nvl h TRP 55 N 0.00 -0.34 -0.13 0.07 7.01 -0.77 -2.77 115.95 119.02 1nvl h TRP 55 Ca -0.00 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1nvl h TRP 55 Cb 0.63 0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.79 1nvl h TRP 55 CO 0.00 -0.21 -0.08 -0.25 -2.79 0.00 0.00 178.44 175.11 1nvl n ASP 56 N -3.97 -0.14 -0.34 2.65 8.00 0.23 0.55 116.55 123.53 1nvl n ASP 56 Ca -0.04 0.70 0.31 0.00 0.71 0.00 0.00 54.79 56.46 1nvl n ASP 56 Cb 0.14 -0.26 0.54 0.00 -0.02 0.00 0.00 41.12 41.52 1nvl n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nvl n ALA 57 N -2.81 1.02 -0.10 2.24 0.00 0.28 -0.34 120.51 120.79 1nvl n ALA 57 Ca 0.00 0.80 -0.15 0.00 0.00 0.00 0.00 53.44 54.09 1nvl n ALA 57 Cb 0.04 -0.88 -0.14 0.00 0.00 0.00 0.00 19.45 18.47 1nvl n ALA 57 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1nvl n TRP 58 N -4.64 0.18 0.02 0.00 -0.00 0.19 -4.28 117.44 108.91 1nvl n TRP 58 Ca 0.33 0.05 -0.11 0.00 -0.00 0.00 0.00 57.50 57.77 1nvl n TRP 58 Cb 1.21 -1.03 -0.05 0.00 -0.00 0.00 0.00 31.31 31.44 1nvl n TRP 58 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 1nvl h ASN 59 N 0.01 -0.14 0.00 5.87 -1.24 0.19 0.12 115.58 120.39 1nvl h ASN 59 Ca -0.54 0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.50 1nvl h ASN 59 Cb 2.04 0.07 0.00 0.00 0.73 0.00 0.00 38.32 41.17 1nvl h ASN 59 CO -0.02 -0.06 0.00 -0.62 -1.29 0.00 0.00 177.43 175.44 1nvl n GLU 60 N -5.16 0.00 0.00 6.67 -0.58 0.54 -0.83 120.64 121.27 1nvl n GLU 60 Ca -0.05 0.29 0.01 0.00 -0.42 0.00 0.00 57.16 56.99 1nvl n GLU 60 Cb 0.09 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.46 1nvl n GLU 60 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1nvl n LEU 61 N -1.29 0.60 -4.73 -4.62 4.77 0.29 -5.04 117.00 106.97 1nvl n LEU 61 Ca 0.00 -0.70 -0.65 0.00 -0.03 0.00 0.00 56.01 54.63 1nvl n LEU 61 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1nvl n LEU 61 CO 0.00 0.14 1.18 1.17 -1.33 0.00 0.00 177.39 178.54 1nvl n LYS 62 N -0.56 0.32 0.00 3.23 0.00 -0.01 -1.31 118.16 119.83 1nvl n LYS 62 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 58.31 58.44 1nvl n LYS 62 Cb 0.06 -1.67 0.00 0.00 0.00 0.00 0.00 35.03 33.42 1nvl n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nvl n GLY 63 N 3.96 1.15 3.39 3.14 0.00 -1.26 -4.94 105.19 110.63 1nvl n GLY 63 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 1nvl n GLY 63 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nvl n THR 64 N -0.04 1.51 -3.02 2.61 -1.04 -0.43 -4.91 114.28 108.95 1nvl n THR 64 Ca 0.00 -0.48 -0.40 0.00 -2.04 0.00 0.00 64.05 61.13 1nvl n THR 64 Cb 0.00 -0.49 -0.05 0.00 -1.82 0.00 0.00 70.33 67.97 1nvl n THR 64 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1nvl s SER 65 N -1.17 6.93 0.14 8.00 0.01 -1.26 -4.83 113.70 121.51 1nvl s SER 65 Ca 0.64 1.13 -0.17 0.00 1.31 0.00 0.00 55.95 58.86 1nvl s SER 65 Cb -0.43 -2.41 0.06 0.00 0.21 0.00 0.00 66.02 63.44 1nvl s SER 65 CO 0.59 -0.21 1.09 0.29 0.41 0.00 0.00 173.24 175.41 1nvl n LYS 66 N 4.32 -0.24 -0.39 12.44 5.02 -1.26 -1.37 118.16 136.68 1nvl n LYS 66 Ca 0.00 1.07 0.31 0.00 -2.02 0.00 0.00 58.31 57.67 1nvl n LYS 66 Cb 0.50 -1.58 0.58 0.00 -0.02 0.00 0.00 35.03 34.51 1nvl n LYS 66 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1nvl h GLU 67 N 0.00 0.18 -0.14 1.97 4.39 -1.92 0.21 114.58 119.27 1nvl h GLU 67 Ca 0.18 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 1nvl h GLU 67 Cb 0.35 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1nvl h GLU 67 CO -0.68 0.12 -0.05 -0.44 -1.16 0.00 0.00 179.01 176.80 1nvl h ASP 68 N 0.18 0.28 -0.08 1.42 3.32 -1.63 -1.29 116.42 118.62 1nvl h ASP 68 Ca 0.77 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1nvl h ASP 68 Cb 2.17 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 41.64 1nvl h ASP 68 CO -0.47 0.60 0.05 0.00 -1.72 0.00 0.00 179.24 177.70 1nvl h ALA 69 N 0.69 0.11 0.24 3.45 0.00 -1.20 -2.05 119.26 120.49 1nvl h ALA 69 Ca 0.03 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1nvl h ALA 69 Cb 0.49 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1nvl h ALA 69 CO 0.02 -0.40 -0.47 0.52 0.00 0.00 0.00 179.25 178.92 1nvl h MET 70 N 0.10 -0.76 -0.16 0.00 2.86 -0.81 0.58 114.93 116.75 1nvl h MET 70 Ca 0.03 0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1nvl h MET 70 Cb -0.00 0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 1nvl h MET 70 CO -0.01 -0.50 -0.30 0.87 1.06 0.00 0.00 176.91 178.03 1nvl h LYS 71 N -0.78 -0.25 -0.76 1.72 1.57 -0.71 0.23 116.57 117.58 1nvl h LYS 71 Ca -0.01 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1nvl h LYS 71 Cb 0.75 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.08 1nvl h LYS 71 CO -0.19 -0.17 0.50 0.00 -0.57 0.00 0.00 179.45 179.02 1nvl h ALA 72 N -0.69 1.60 0.56 3.86 0.00 -1.30 -1.40 119.26 121.88 1nvl h ALA 72 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nvl h ALA 72 Cb 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1nvl h ALA 72 CO -0.29 0.31 -0.38 -0.92 0.00 0.00 0.00 179.25 177.97 1nvl h TYR 73 N 0.88 -1.00 -1.00 0.00 3.20 0.13 0.38 116.97 119.57 1nvl h TYR 73 Ca 0.32 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.33 1nvl h TYR 73 Cb 0.13 0.36 -0.09 0.00 1.54 0.00 0.00 36.73 38.67 1nvl h TYR 73 CO -0.00 -0.56 0.62 0.82 -1.64 0.00 0.00 178.16 177.40 1nvl h ILE 74 N -0.90 0.82 0.00 1.81 2.04 -0.24 0.37 117.51 121.41 1nvl h ILE 74 Ca -0.07 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1nvl h ILE 74 Cb 0.74 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1nvl h ILE 74 CO 0.05 0.16 0.00 -0.67 0.00 0.00 0.00 178.15 177.69 1nvl n ASP 75 N -4.68 0.00 -0.17 1.72 -0.08 -0.56 -0.91 116.55 111.87 1nvl n ASP 75 Ca 0.21 0.72 -0.01 0.00 -1.51 0.00 0.00 54.79 54.19 1nvl n ASP 75 Cb 0.46 -0.41 0.01 0.00 2.34 0.00 0.00 41.12 43.52 1nvl n ASP 75 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1nvl n LYS 76 N -1.72 -0.12 0.06 -0.67 0.00 0.13 0.22 118.16 116.05 1nvl n LYS 76 Ca 0.00 0.66 -0.16 0.00 0.00 0.00 0.00 58.31 58.82 1nvl n LYS 76 Cb 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 35.03 33.95 1nvl n LYS 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1nvl h VAL 77 N 0.00 0.01 -0.74 3.15 2.07 -0.16 0.39 116.25 120.97 1nvl h VAL 77 Ca 0.13 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.82 1nvl h VAL 77 Cb 0.24 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 29.92 1nvl h VAL 77 CO -0.43 0.00 0.20 -0.08 0.02 0.00 0.00 177.57 177.28 1nvl h GLU 78 N -0.67 0.28 -0.62 1.57 4.57 0.45 0.35 114.58 120.51 1nvl h GLU 78 Ca 0.01 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1nvl h GLU 78 Cb 0.72 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.19 1nvl h GLU 78 CO -0.35 0.19 0.32 0.93 -1.18 0.00 0.00 179.01 178.91 1nvl h GLU 79 N 0.29 0.57 -0.27 1.92 4.39 0.15 -1.19 114.58 120.43 1nvl h GLU 79 Ca 0.42 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.06 1nvl h GLU 79 Cb 0.72 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1nvl h GLU 79 CO -0.50 0.38 0.06 -0.07 -1.16 0.00 0.00 179.01 177.72 1nvl h LEU 80 N 0.59 0.42 -0.47 1.33 3.38 0.23 -2.15 115.31 118.63 1nvl h LEU 80 Ca 0.29 -0.24 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1nvl h LEU 80 Cb 0.22 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.76 1nvl h LEU 80 CO -0.20 0.54 -0.23 0.50 0.09 0.00 0.00 178.44 179.14 1nvl h LYS 81 N 0.27 -0.13 -0.06 1.13 3.64 0.20 0.50 116.57 122.12 1nvl h LYS 81 Ca 0.08 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1nvl h LYS 81 Cb 0.29 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1nvl h LYS 81 CO 0.00 -0.08 0.04 0.87 -2.27 0.00 0.00 179.45 178.01 1nvl h LYS 82 N -0.13 0.00 0.00 1.90 1.57 -1.03 -3.21 116.57 115.68 1nvl h LYS 82 Ca 0.22 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.59 1nvl h LYS 82 Cb 0.48 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 1nvl h LYS 82 CO -0.55 0.00 -2.24 1.63 -0.57 0.00 0.00 179.45 177.71 1nvl n LYS 83 N -4.42 0.59 0.02 3.15 5.02 0.18 -4.85 118.16 117.85 1nvl n LYS 83 Ca -0.02 0.33 0.02 0.00 -2.02 0.00 0.00 58.31 56.62 1nvl n LYS 83 Cb 0.15 -1.56 -0.09 0.00 -0.02 0.00 0.00 35.03 33.51 1nvl n LYS 83 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1nvl n TYR 84 N -4.20 0.76 0.00 2.13 4.02 0.15 -5.09 117.16 114.93 1nvl n TYR 84 Ca -0.49 0.25 0.00 0.00 -0.01 0.00 0.00 57.90 57.65 1nvl n TYR 84 Cb 0.85 -0.99 0.00 0.00 -0.02 0.00 0.00 39.34 39.18 1nvl n TYR 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nvl n GLY 85 N 1.39 1.45 0.00 2.72 0.00 -1.21 -4.64 105.19 104.90 1nvl n GLY 85 Ca -0.10 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83