#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 0.41 0.00 4.33 7.27 -1.26 -5.03 117.38 123.10 1nvl n GLN 2 Ca 0.00 -3.28 0.00 0.00 0.07 0.00 0.00 57.00 53.79 1nvl n GLN 2 Cb 0.00 -1.64 0.00 0.00 2.41 0.00 0.00 30.24 31.01 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 2.51 0.00 -0.07 1.69 0.00 -1.26 -0.02 120.51 123.36 1nvl n ALA 3 Ca 0.28 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.97 1nvl n ALA 3 Cb 0.48 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.65 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 0.00 -0.35 0.00 4.39 -1.98 0.76 114.58 117.40 1nvl h GLU 4 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1nvl h GLU 4 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1nvl h GLU 4 CO 0.00 0.00 0.02 0.35 -1.16 0.00 0.00 179.01 178.22 1nvl h PHE 5 N 0.00 0.65 -0.38 4.33 3.57 -0.80 0.27 116.94 124.57 1nvl h PHE 5 Ca 0.33 -0.10 -0.14 0.00 3.53 0.00 0.00 57.97 61.59 1nvl h PHE 5 Cb 1.49 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 1nvl h PHE 5 CO 0.00 0.69 -0.31 -0.44 -2.23 0.00 0.00 178.31 176.03 1nvl h ASP 6 N 0.42 0.94 -0.27 0.41 3.32 0.19 0.21 116.42 121.64 1nvl h ASP 6 Ca 0.10 -0.45 0.02 0.00 0.02 0.00 0.00 57.03 56.72 1nvl h ASP 6 Cb 0.42 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1nvl h ASP 6 CO 0.01 1.18 0.14 0.50 -1.72 0.00 0.00 179.24 179.35 1nvl h LYS 7 N 0.70 0.28 -0.11 3.56 1.63 -0.59 0.17 116.57 122.20 1nvl h LYS 7 Ca 0.07 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 1nvl h LYS 7 Cb 0.89 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.43 1nvl h LYS 7 CO 0.08 0.18 -0.08 0.00 -3.45 0.00 0.00 179.45 176.19 1nvl h ALA 8 N 1.13 0.02 -0.68 5.00 0.00 -0.02 0.55 119.26 125.27 1nvl h ALA 8 Ca 0.11 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.21 1nvl h ALA 8 Cb 0.03 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 17.86 1nvl h ALA 8 CO -0.07 -0.53 -0.13 0.00 0.00 0.00 0.00 179.25 178.52 1nvl h ALA 9 N 1.02 0.51 0.82 0.00 0.00 0.13 0.39 119.26 122.13 1nvl h ALA 9 Ca 0.07 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1nvl h ALA 9 Cb 0.18 0.48 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1nvl h ALA 9 CO -0.16 -0.42 -0.42 0.93 0.00 0.00 0.00 179.25 179.17 1nvl h GLU 10 N 0.02 -1.09 -0.76 0.00 5.08 0.38 -2.09 114.58 116.12 1nvl h GLU 10 Ca 0.34 0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.88 1nvl h GLU 10 Cb 0.53 0.25 -0.12 0.00 0.50 0.00 0.00 28.75 29.90 1nvl h GLU 10 CO -0.67 -0.73 -0.43 0.93 -1.00 0.00 0.00 179.01 177.10 1nvl h GLU 11 N -1.14 -0.12 -0.19 2.33 5.08 0.24 -0.24 114.58 120.55 1nvl h GLU 11 Ca -0.11 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1nvl h GLU 11 Cb 0.88 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1nvl h GLU 11 CO 0.17 -0.08 0.00 -0.24 -1.00 0.00 0.00 179.01 177.86 1nvl h VAL 12 N -0.12 0.88 0.00 3.13 3.04 -0.26 0.21 116.25 123.12 1nvl h VAL 12 Ca 0.23 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.90 1nvl h VAL 12 Cb 0.55 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 1nvl h VAL 12 CO -0.81 0.01 0.12 0.11 -1.01 0.00 0.00 177.57 175.99 1nvl h LYS 13 N 0.07 0.00 0.00 4.17 1.57 -0.33 0.18 116.57 122.23 1nvl h LYS 13 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1nvl h LYS 13 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1nvl h LYS 13 CO -0.14 0.00 -0.41 0.72 -0.57 0.00 0.00 179.45 179.05 1nvl n HIS 14 N -2.24 0.04 -1.41 -1.35 8.25 0.71 -4.92 115.22 114.30 1nvl n HIS 14 Ca -0.01 0.01 -0.60 0.00 -0.26 0.00 0.00 57.72 56.86 1nvl n HIS 14 Cb 0.15 -0.33 -0.10 0.00 1.12 0.00 0.00 29.99 30.83 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 -1.55 1.20 0.00 2.41 4.77 0.63 -4.71 117.00 119.76 1nvl n LEU 15 Ca 0.06 0.76 0.00 0.00 -0.03 0.00 0.00 56.01 56.80 1nvl n LEU 15 Cb 0.34 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 1nvl n LEU 15 CO 0.34 -0.75 0.17 2.29 -1.33 0.00 0.00 177.39 178.11 1nvl n LYS 16 N 6.80 0.00 -3.74 3.23 2.85 -1.26 -4.39 118.16 121.65 1nvl n LYS 16 Ca 0.46 0.03 -0.11 0.00 -1.05 0.00 0.00 58.31 57.65 1nvl n LYS 16 Cb 0.02 -1.55 -0.07 0.00 -0.65 0.00 0.00 35.03 32.78 1nvl n LYS 16 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1nvl s THR 17 N -1.57 0.09 -0.51 0.58 2.01 -1.26 -5.10 115.64 109.88 1nvl s THR 17 Ca 0.00 -0.76 -0.19 0.00 0.31 0.00 0.00 61.69 61.05 1nvl s THR 17 Cb 0.00 -1.09 0.06 0.00 0.01 0.00 0.00 72.50 71.47 1nvl s THR 17 CO 0.00 -0.42 0.63 -0.54 -0.69 0.00 0.00 174.62 173.60 1nvl s LYS 18 N -3.19 3.13 0.94 4.92 3.01 -1.26 -5.03 119.74 122.25 1nvl s LYS 18 Ca -0.01 -0.88 -0.17 0.00 -1.01 0.00 0.00 55.97 53.91 1nvl s LYS 18 Cb 0.01 -4.10 0.00 0.00 -1.01 0.00 0.00 37.83 32.74 1nvl s LYS 18 CO -0.07 -1.22 -0.44 -2.30 0.51 0.00 0.00 175.35 171.83 1nvl n PRO 19 N 6.18 -0.96 -1.15 -1.68 -0.02 -1.26 -4.94 135.00 131.17 1nvl n PRO 19 Ca -0.06 -0.28 -0.31 0.00 -2.02 0.00 0.00 63.50 60.83 1nvl n PRO 19 Cb 0.45 -1.28 0.12 0.00 -0.02 0.00 0.00 33.50 32.77 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 -2.07 1.90 0.04 3.55 0.00 -1.26 -4.66 121.76 119.26 1nvl s ALA 20 Ca 0.34 0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.38 1nvl s ALA 20 Cb -0.01 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 1nvl s ALA 20 CO 0.45 -2.11 1.23 -0.44 0.00 0.00 0.00 175.76 174.90 1nvl h ASP 21 N -1.38 -0.68 -0.92 0.00 5.19 -1.98 0.17 116.42 116.82 1nvl h ASP 21 Ca -0.45 0.07 0.15 0.00 -0.62 0.00 0.00 57.03 56.18 1nvl h ASP 21 Cb 1.25 0.25 -0.15 0.00 0.18 0.00 0.00 39.33 40.86 1nvl h ASP 21 CO 0.51 -0.24 -0.32 -0.62 -3.12 0.00 0.00 179.24 175.45 1nvl n GLU 22 N -3.73 -0.18 -0.08 3.56 1.02 -1.26 0.94 120.64 120.91 1nvl n GLU 22 Ca -0.04 1.42 -0.10 0.00 -0.02 0.00 0.00 57.16 58.42 1nvl n GLU 22 Cb 0.17 -2.11 -0.04 0.00 -0.02 0.00 0.00 31.44 29.45 1nvl n GLU 22 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1nvl h GLU 23 N 0.00 0.38 0.29 3.49 4.39 -1.84 0.03 114.58 121.32 1nvl h GLU 23 Ca 0.35 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.97 1nvl h GLU 23 Cb 0.58 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1nvl h GLU 23 CO -0.92 0.43 -0.39 0.52 -1.16 0.00 0.00 179.01 177.50 1nvl h MET 24 N 0.24 -0.68 -0.86 2.33 2.86 0.31 -1.67 114.93 117.46 1nvl h MET 24 Ca 0.08 0.05 0.18 0.00 -2.06 0.00 0.00 59.70 57.94 1nvl h MET 24 Cb 0.20 0.15 -0.16 0.00 0.06 0.00 0.00 31.60 31.85 1nvl h MET 24 CO -0.01 -0.45 -0.21 1.28 1.06 0.00 0.00 176.91 178.59 1nvl n LEU 25 N -4.71 -0.30 0.52 1.22 4.77 0.27 0.13 117.00 118.89 1nvl n LEU 25 Ca -0.08 1.48 -0.20 0.00 -0.03 0.00 0.00 56.01 57.18 1nvl n LEU 25 Cb 0.34 -0.45 -0.10 0.00 -2.33 0.00 0.00 43.42 40.88 1nvl n LEU 25 CO 0.17 -1.43 0.53 0.15 -1.33 0.00 0.00 177.39 175.49 1nvl h PHE 26 N 0.00 -1.22 -0.47 -1.77 3.04 -0.49 0.58 116.94 116.61 1nvl h PHE 26 Ca 0.42 -0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.43 1nvl h PHE 26 Cb 0.65 0.40 -0.09 0.00 2.56 0.00 0.00 35.95 39.48 1nvl h PHE 26 CO -0.65 -0.76 -0.11 0.82 -2.02 0.00 0.00 178.31 175.59 1nvl h ILE 27 N -1.32 0.54 0.16 1.41 1.08 0.22 0.12 117.51 119.71 1nvl h ILE 27 Ca -0.13 -0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1nvl h ILE 27 Cb 1.01 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 1nvl h ILE 27 CO 0.22 0.00 -0.18 0.22 -0.69 0.00 0.00 178.15 177.72 1nvl h TYR 28 N 0.01 -0.51 -0.28 1.37 5.03 -0.15 0.37 116.97 122.81 1nvl h TYR 28 Ca 0.23 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.61 1nvl h TYR 28 Cb 0.34 0.20 -0.07 0.00 1.55 0.00 0.00 36.73 38.75 1nvl h TYR 28 CO -0.39 -0.23 -0.20 0.66 -1.32 0.00 0.00 178.16 176.67 1nvl h SER 29 N -0.34 -0.67 -0.11 -2.11 4.64 -0.66 0.35 113.55 114.64 1nvl h SER 29 Ca -0.02 0.13 0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1nvl h SER 29 Cb 0.30 0.34 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 1nvl h SER 29 CO -0.03 -0.24 -0.09 0.45 -0.87 0.00 0.00 176.83 176.05 1nvl h HIS 30 N -0.19 -0.21 -0.35 4.77 3.86 -0.68 0.24 115.15 122.60 1nvl h HIS 30 Ca 0.15 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1nvl h HIS 30 Cb 0.42 0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 1nvl h HIS 30 CO -0.39 -0.13 0.21 -0.92 0.86 0.00 0.00 177.93 177.56 1nvl h TYR 31 N -0.10 0.40 -0.63 2.45 3.20 0.54 0.46 116.97 123.29 1nvl h TYR 31 Ca 0.07 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1nvl h TYR 31 Cb 0.20 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1nvl h TYR 31 CO -0.21 0.24 0.41 0.87 -1.64 0.00 0.00 178.16 177.83 1nvl h LYS 32 N 0.43 0.83 0.40 1.82 1.79 0.07 0.48 116.57 122.39 1nvl h LYS 32 Ca 0.14 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1nvl h LYS 32 Cb -0.01 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.46 1nvl h LYS 32 CO -0.06 0.56 -0.19 1.96 -1.08 0.00 0.00 179.45 180.64 1nvl h GLN 33 N 0.85 -0.51 -1.82 3.15 1.08 -0.28 0.49 115.11 118.06 1nvl h GLN 33 Ca 0.23 0.04 0.53 0.00 -1.45 0.00 0.00 58.65 58.00 1nvl h GLN 33 Cb -0.09 0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 27.38 1nvl h GLN 33 CO -0.05 -0.34 1.30 0.00 -0.95 0.00 0.00 178.83 178.79 1nvl n ALA 34 N -2.69 1.75 -0.01 3.87 0.00 0.16 -2.36 120.51 121.22 1nvl n ALA 34 Ca -0.07 0.63 -0.03 0.00 0.00 0.00 0.00 53.44 53.97 1nvl n ALA 34 Cb 0.21 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 1nvl n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1nvl n THR 35 N -3.85 0.22 -0.06 0.00 -2.24 0.15 -4.61 114.28 103.88 1nvl n THR 35 Ca 0.42 -0.03 -0.03 0.00 -2.27 0.00 0.00 64.05 62.14 1nvl n THR 35 Cb 1.87 -1.55 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 1nvl n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1nvl h VAL 36 N -0.11 0.08 0.00 2.28 2.07 -0.02 -3.51 116.25 117.04 1nvl h VAL 36 Ca -0.08 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1nvl h VAL 36 Cb 1.03 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1nvl h VAL 36 CO -0.05 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.18 1nvl n GLY 37 N 1.70 1.04 3.30 2.17 0.00 -0.21 -4.94 105.19 108.24 1nvl n GLY 37 Ca -0.04 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 1nvl n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nvl n ASP 38 N 0.00 -0.59 -4.58 1.61 9.92 -0.87 -4.68 116.55 117.36 1nvl n ASP 38 Ca 0.00 -0.19 -0.52 0.00 -0.53 0.00 0.00 54.79 53.55 1nvl n ASP 38 Cb 0.00 -0.68 -0.06 0.00 -0.64 0.00 0.00 41.12 39.75 1nvl n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nvl n ILE 39 N 6.09 0.20 -1.36 0.53 3.06 -1.26 -4.81 119.36 121.81 1nvl n ILE 39 Ca 0.63 -0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.84 1nvl n ILE 39 Cb 0.08 -0.74 0.00 0.00 0.54 0.00 0.00 39.64 39.53 1nvl n ILE 39 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1nvl n ASN 40 N 2.32 0.18 -3.35 9.51 0.23 -1.26 -5.06 115.26 117.83 1nvl n ASN 40 Ca 0.18 -1.52 -0.14 0.00 -0.53 0.00 0.00 54.58 52.57 1nvl n ASN 40 Cb 0.19 -0.10 0.08 0.00 -2.08 0.00 0.00 39.78 37.87 1nvl n ASN 40 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1nvl n THR 41 N -0.07 0.00 -2.45 5.53 -2.24 -1.26 -5.10 114.28 108.68 1nvl n THR 41 Ca 0.01 -0.81 -0.25 0.00 -2.27 0.00 0.00 64.05 60.73 1nvl n THR 41 Cb 0.57 -1.24 0.12 0.00 -2.10 0.00 0.00 70.33 67.68 1nvl n THR 41 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1nvl s GLU 42 N -4.07 1.48 -0.37 -0.78 -1.05 -1.26 -5.06 118.70 107.59 1nvl s GLU 42 Ca 0.38 -0.97 -0.15 0.00 -0.15 0.00 0.00 54.97 54.08 1nvl s GLU 42 Cb -0.02 -2.23 -0.00 0.00 -0.44 0.00 0.00 34.13 31.44 1nvl s GLU 42 CO 0.26 -1.64 0.33 0.50 0.95 0.00 0.00 175.26 175.66 1nvl s ARG 43 N -5.29 3.33 0.29 -4.83 3.52 -1.26 -4.97 118.95 109.74 1nvl s ARG 43 Ca 0.68 -0.67 -0.00 0.00 -0.13 0.00 0.00 55.73 55.60 1nvl s ARG 43 Cb -0.05 -3.87 0.67 0.00 -1.56 0.00 0.00 34.95 30.13 1nvl s ARG 43 CO 0.46 -0.61 1.49 -2.30 -0.81 0.00 0.00 175.30 173.53 1nvl n PRO 44 N 5.30 -0.08 0.00 5.12 -0.02 -1.26 -4.77 135.00 139.28 1nvl n PRO 44 Ca -0.10 1.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.81 1nvl n PRO 44 Cb 0.49 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1nvl n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nvl n GLY 45 N -1.50 1.15 0.40 -1.23 0.00 -1.26 -4.54 105.19 98.21 1nvl n GLY 45 Ca 0.21 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 1nvl n GLY 45 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1nvl h MET 46 N 0.00 -0.27 -6.02 1.61 2.86 -2.01 -3.42 114.93 107.68 1nvl h MET 46 Ca 0.00 0.02 -0.64 0.00 -2.06 0.00 0.00 59.70 57.02 1nvl h MET 46 Cb 0.00 0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.65 1nvl h MET 46 CO 0.00 -0.18 -0.56 -0.51 1.06 0.00 0.00 176.91 176.72 1nvl s LEU 47 N -9.91 4.04 0.00 1.22 1.43 -1.26 -5.05 118.68 109.14 1nvl s LEU 47 Ca -0.12 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1nvl s LEU 47 Cb 0.08 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.74 1nvl s LEU 47 CO 0.56 0.21 0.00 0.47 0.23 0.00 0.00 176.35 177.82 1nvl n ASP 48 N 0.68 0.00 -0.24 2.29 9.92 -1.26 -1.87 116.55 126.07 1nvl n ASP 48 Ca -0.09 0.03 -0.01 0.00 -0.53 0.00 0.00 54.79 54.19 1nvl n ASP 48 Cb 0.52 -0.46 0.06 0.00 -0.64 0.00 0.00 41.12 40.59 1nvl n ASP 48 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 1nvl h PHE 49 N 0.00 -0.57 -0.01 1.24 -0.00 -1.96 0.72 116.94 116.36 1nvl h PHE 49 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.97 58.04 1nvl h PHE 49 Cb 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 35.95 36.31 1nvl h PHE 49 CO 0.00 -0.34 -0.62 1.17 -0.00 0.00 0.00 178.31 178.52 1nvl n LYS 50 N -5.47 0.67 0.00 6.09 4.81 -1.26 -4.09 118.16 118.91 1nvl n LYS 50 Ca 0.08 -0.53 0.00 0.00 -0.87 0.00 0.00 58.31 56.99 1nvl n LYS 50 Cb 0.37 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.93 1nvl n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nvl n GLY 51 N 1.44 -0.21 0.09 3.14 0.00 -0.89 -4.64 105.19 104.13 1nvl n GLY 51 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 0.16 -0.49 1.61 6.56 -0.49 -2.85 116.57 121.07 1nvl h LYS 52 Ca 0.00 -0.08 0.10 0.00 -1.06 0.00 0.00 60.65 59.61 1nvl h LYS 52 Cb 0.00 -0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 31.56 1nvl h LYS 52 CO 0.00 0.57 -0.27 0.00 -2.06 0.00 0.00 179.45 177.69 1nvl h ALA 53 N 0.59 0.04 0.00 3.86 0.00 -1.06 0.46 119.26 123.15 1nvl h ALA 53 Ca 0.01 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1nvl h ALA 53 Cb 0.53 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1nvl h ALA 53 CO 0.01 -0.62 0.00 0.36 0.00 0.00 0.00 179.25 179.01 1nvl n LYS 54 N -5.42 0.17 -0.10 0.00 2.85 -1.24 -0.40 118.16 114.02 1nvl n LYS 54 Ca 0.03 0.13 -0.19 0.00 -1.05 0.00 0.00 58.31 57.23 1nvl n LYS 54 Cb 0.33 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.09 1nvl n LYS 54 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 177.40 179.22 1nvl n TRP 55 N -1.37 0.30 0.22 5.58 -0.00 0.11 -3.90 117.44 118.37 1nvl n TRP 55 Ca 0.08 0.06 -0.09 0.00 -0.00 0.00 0.00 57.50 57.55 1nvl n TRP 55 Cb 0.19 -1.04 -0.04 0.00 -0.00 0.00 0.00 31.31 30.42 1nvl n TRP 55 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 1nvl h ASP 56 N 0.01 -0.48 -1.51 5.87 5.19 -0.26 0.40 116.42 125.65 1nvl h ASP 56 Ca -0.54 0.02 0.44 0.00 -0.62 0.00 0.00 57.03 56.32 1nvl h ASP 56 Cb 1.93 0.12 -0.06 0.00 0.18 0.00 0.00 39.33 41.50 1nvl h ASP 56 CO -0.05 -0.27 1.20 0.00 -3.12 0.00 0.00 179.24 177.00 1nvl h ALA 57 N -1.61 3.41 0.08 3.45 0.00 -0.90 0.35 119.26 124.04 1nvl h ALA 57 Ca -0.06 -0.05 -0.35 0.00 0.00 0.00 0.00 54.91 54.45 1nvl h ALA 57 Cb 0.43 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1nvl h ALA 57 CO 0.09 -1.98 -2.01 1.87 0.00 0.00 0.00 179.25 177.22 1nvl n TRP 58 N -3.81 1.01 -0.24 0.00 -0.00 -0.95 -4.00 117.44 109.45 1nvl n TRP 58 Ca 0.34 0.25 -0.06 0.00 -0.00 0.00 0.00 57.50 58.02 1nvl n TRP 58 Cb 1.67 -1.14 0.05 0.00 -0.00 0.00 0.00 31.31 31.88 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 0.05 0.84 0.00 5.87 -1.24 0.34 -0.71 115.58 120.72 1nvl h ASN 59 Ca -0.42 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.50 1nvl h ASN 59 Cb 2.02 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.86 1nvl h ASN 59 CO 0.06 0.69 0.27 -0.33 -1.29 0.00 0.00 177.43 176.84 1nvl h GLU 60 N 0.92 0.00 0.00 6.67 5.08 -0.75 0.11 114.58 126.61 1nvl h GLU 60 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1nvl h GLU 60 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1nvl h GLU 60 CO -0.04 0.00 -0.01 1.28 -1.00 0.00 0.00 179.01 179.24 1nvl n LEU 61 N -2.82 1.85 -0.20 1.33 4.77 -0.43 -4.90 117.00 116.59 1nvl n LEU 61 Ca -0.02 -2.01 0.18 0.00 -0.03 0.00 0.00 56.01 54.14 1nvl n LEU 61 Cb 0.32 -0.08 0.32 0.00 -2.33 0.00 0.00 43.42 41.65 1nvl n LEU 61 CO 0.14 0.49 0.57 1.17 -1.33 0.00 0.00 177.39 178.43 1nvl n LYS 62 N -0.62 -0.02 -2.21 3.23 4.81 0.37 -1.94 118.16 121.77 1nvl n LYS 62 Ca 0.03 0.65 -0.30 0.00 -0.87 0.00 0.00 58.31 57.82 1nvl n LYS 62 Cb 0.35 -1.23 0.02 0.00 0.02 0.00 0.00 35.03 34.19 1nvl n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nvl n GLY 63 N -1.20 5.94 3.99 3.14 0.00 -1.26 -2.06 105.19 113.73 1nvl n GLY 63 Ca 0.20 -2.66 -0.19 0.00 0.00 0.00 0.00 46.02 43.36 1nvl n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nvl s THR 64 N -5.26 3.32 -0.34 2.61 2.01 -0.82 -5.04 115.64 112.13 1nvl s THR 64 Ca 0.50 -0.86 -0.15 0.00 0.31 0.00 0.00 61.69 61.50 1nvl s THR 64 Cb 0.42 -3.17 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 1nvl s THR 64 CO -0.21 -0.08 0.34 -0.94 -0.69 0.00 0.00 174.62 173.05 1nvl s SER 65 N -4.31 6.16 0.00 3.53 1.04 -1.26 -4.86 113.70 114.01 1nvl s SER 65 Ca 0.52 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1nvl s SER 65 Cb -0.10 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1nvl s SER 65 CO 0.34 -0.31 0.20 0.29 0.98 0.00 0.00 173.24 174.74 1nvl n LYS 66 N 5.34 0.00 -0.33 4.02 4.76 -1.26 -0.99 118.16 129.70 1nvl n LYS 66 Ca -0.10 0.20 0.21 0.00 -2.87 0.00 0.00 58.31 55.75 1nvl n LYS 66 Cb 0.49 -0.30 0.43 0.00 -1.84 0.00 0.00 35.03 33.81 1nvl n LYS 66 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1nvl h GLU 67 N 0.00 0.32 -0.05 1.97 3.07 -1.95 0.38 114.58 118.32 1nvl h GLU 67 Ca 0.00 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.75 1nvl h GLU 67 Cb 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 1nvl h GLU 67 CO 0.00 0.21 -0.31 -0.44 -1.40 0.00 0.00 179.01 177.07 1nvl h ASP 68 N 0.33 0.36 -1.00 1.42 3.32 -1.48 -0.95 116.42 118.41 1nvl h ASP 68 Ca 0.69 -0.67 0.06 0.00 0.02 0.00 0.00 57.03 57.13 1nvl h ASP 68 Cb 1.50 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.88 1nvl h ASP 68 CO -0.60 0.97 0.65 0.00 -1.72 0.00 0.00 179.24 178.54 1nvl h ALA 69 N 0.39 1.38 0.96 3.45 0.00 -0.70 -1.08 119.26 123.67 1nvl h ALA 69 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1nvl h ALA 69 Cb 0.98 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1nvl h ALA 69 CO 0.06 0.47 -0.48 0.52 0.00 0.00 0.00 179.25 179.83 1nvl h MET 70 N 1.20 -1.26 -0.47 0.00 2.86 -0.01 0.43 114.93 117.69 1nvl h MET 70 Ca 0.43 0.09 0.05 0.00 -2.06 0.00 0.00 59.70 58.21 1nvl h MET 70 Cb 0.13 0.29 -0.09 0.00 0.06 0.00 0.00 31.60 31.99 1nvl h MET 70 CO -0.16 -0.84 -0.56 0.87 1.06 0.00 0.00 176.91 177.28 1nvl h LYS 71 N -1.30 -0.35 -0.42 1.72 1.57 -0.37 0.28 116.57 117.71 1nvl h LYS 71 Ca -0.13 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1nvl h LYS 71 Cb 1.01 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.35 1nvl h LYS 71 CO 0.20 -0.23 0.16 0.00 -0.57 0.00 0.00 179.45 179.01 1nvl h ALA 72 N 0.02 0.50 -0.09 3.86 0.00 -1.18 0.37 119.26 122.75 1nvl h ALA 72 Ca 0.08 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1nvl h ALA 72 Cb 0.58 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1nvl h ALA 72 CO -0.63 -0.23 -0.41 -0.92 0.00 0.00 0.00 179.25 177.06 1nvl h TYR 73 N 0.33 -1.17 -0.46 0.00 3.20 0.15 0.49 116.97 119.50 1nvl h TYR 73 Ca 0.19 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.12 1nvl h TYR 73 Cb 0.17 0.53 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 1nvl h TYR 73 CO -0.14 -0.48 0.30 0.82 -1.64 0.00 0.00 178.16 177.01 1nvl h ILE 74 N -0.51 1.10 0.00 1.81 2.04 -0.18 0.23 117.51 121.99 1nvl h ILE 74 Ca 0.07 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1nvl h ILE 74 Cb 0.63 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1nvl h ILE 74 CO -0.37 0.11 -0.15 0.44 0.00 0.00 0.00 178.15 178.18 1nvl h ASP 75 N 0.60 0.00 0.02 1.72 3.32 0.48 0.29 116.42 122.85 1nvl h ASP 75 Ca 0.17 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1nvl h ASP 75 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1nvl h ASP 75 CO -0.05 0.15 -0.01 0.50 -1.72 0.00 0.00 179.24 178.11 1nvl h LYS 76 N 0.00 -0.03 -0.37 3.56 1.63 0.14 0.74 116.57 122.24 1nvl h LYS 76 Ca -0.00 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.87 1nvl h LYS 76 Cb 0.32 0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 31.87 1nvl h LYS 76 CO 0.02 0.69 -0.36 0.28 -3.45 0.00 0.00 179.45 176.63 1nvl h VAL 77 N -0.80 0.19 -0.36 2.00 2.07 0.54 0.32 116.25 120.21 1nvl h VAL 77 Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1nvl h VAL 77 Cb 0.73 0.19 -0.09 0.00 -1.52 0.00 0.00 31.29 30.60 1nvl h VAL 77 CO 0.00 0.00 -0.34 -0.08 0.02 0.00 0.00 177.57 177.17 1nvl h GLU 78 N -0.30 -0.28 -0.64 1.57 4.22 -0.34 -0.48 114.58 118.33 1nvl h GLU 78 Ca 0.15 0.02 0.13 0.00 0.08 0.00 0.00 59.36 59.74 1nvl h GLU 78 Cb 0.56 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.75 1nvl h GLU 78 CO -0.53 -0.19 -0.16 0.93 -2.18 0.00 0.00 179.01 176.88 1nvl h GLU 79 N -0.29 -0.00 -0.28 1.92 5.08 0.19 -1.79 114.58 119.42 1nvl h GLU 79 Ca 0.15 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 1nvl h GLU 79 Cb 0.55 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 1nvl h GLU 79 CO -0.51 -0.00 -0.16 -0.07 -1.00 0.00 0.00 179.01 177.26 1nvl h LEU 80 N -0.00 -0.54 -0.55 1.33 3.38 0.97 -2.45 115.31 117.45 1nvl h LEU 80 Ca 0.31 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.47 1nvl h LEU 80 Cb 0.47 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 1nvl h LEU 80 CO -0.66 -0.20 -0.25 1.17 0.09 0.00 0.00 178.44 178.59 1nvl n LYS 81 N -5.33 -0.17 -0.27 1.13 4.81 -0.46 0.43 118.16 118.30 1nvl n LYS 81 Ca -0.00 0.85 0.01 0.00 -0.87 0.00 0.00 58.31 58.30 1nvl n LYS 81 Cb 0.24 -1.25 0.14 0.00 0.02 0.00 0.00 35.03 34.18 1nvl n LYS 81 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1nvl h LYS 82 N 0.00 0.72 0.00 1.64 6.56 -1.50 0.81 116.57 124.80 1nvl h LYS 82 Ca 0.16 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.68 1nvl h LYS 82 Cb 0.30 -0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 31.79 1nvl h LYS 82 CO -0.54 0.47 -0.16 0.87 -2.06 0.00 0.00 179.45 178.04 1nvl h LYS 83 N 0.74 0.00 0.00 3.15 1.57 -0.02 -3.42 116.57 118.58 1nvl h LYS 83 Ca 0.36 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.13 1nvl h LYS 83 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1nvl h LYS 83 CO -0.23 0.98 -1.61 0.66 -0.57 0.00 0.00 179.45 178.69 1nvl n TYR 84 N -4.59 0.00 0.00 -1.35 4.01 0.13 -5.05 117.16 110.31 1nvl n TYR 84 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1nvl n TYR 84 Cb 0.50 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1nvl n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nvl n GLY 85 N 1.78 3.79 0.00 2.72 0.00 0.28 -4.22 105.19 109.53 1nvl n GLY 85 Ca -0.03 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83