#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvl s GLN 2 N 0.00 1.01 0.39 4.33 0.74 -1.26 -5.03 119.66 119.84 1nvl s GLN 2 Ca 0.00 -0.17 0.21 0.00 0.05 0.00 0.00 55.36 55.45 1nvl s GLN 2 Cb 0.00 -0.95 0.48 0.00 1.10 0.00 0.00 33.01 33.65 1nvl s GLN 2 CO 0.00 -0.05 1.64 0.00 -0.55 0.00 0.00 175.29 176.33 1nvl h ALA 3 N 7.10 0.89 -0.18 1.58 0.00 -2.05 -3.18 119.26 123.42 1nvl h ALA 3 Ca -0.37 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.38 1nvl h ALA 3 Cb 1.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1nvl h ALA 3 CO 0.48 0.30 0.21 0.93 0.00 0.00 0.00 179.25 181.17 1nvl h GLU 4 N 0.00 0.00 0.02 0.00 3.07 -1.98 0.39 114.58 116.07 1nvl h GLU 4 Ca -0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 1nvl h GLU 4 Cb 1.03 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.94 1nvl h GLU 4 CO 0.03 0.00 -0.22 0.35 -1.40 0.00 0.00 179.01 177.77 1nvl h PHE 5 N 0.00 0.19 -0.29 4.33 3.04 -1.92 -0.83 116.94 121.45 1nvl h PHE 5 Ca 0.08 -0.12 0.07 0.00 3.98 0.00 0.00 57.97 61.99 1nvl h PHE 5 Cb 0.51 -0.02 -0.07 0.00 2.56 0.00 0.00 35.95 38.93 1nvl h PHE 5 CO 0.00 0.98 -0.22 -0.44 -2.02 0.00 0.00 178.31 176.61 1nvl h ASP 6 N -0.65 -0.71 -0.52 0.41 5.19 -0.49 0.49 116.42 120.14 1nvl h ASP 6 Ca -0.03 0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1nvl h ASP 6 Cb 1.05 0.35 -0.02 0.00 0.18 0.00 0.00 39.33 40.89 1nvl h ASP 6 CO 0.04 -0.25 0.23 0.50 -3.12 0.00 0.00 179.24 176.64 1nvl h LYS 7 N -0.20 0.75 -0.81 3.56 3.64 -0.81 0.37 116.57 123.07 1nvl h LYS 7 Ca 0.16 -0.12 0.11 0.00 -1.27 0.00 0.00 60.65 59.53 1nvl h LYS 7 Cb 0.43 -0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.04 1nvl h LYS 7 CO -0.41 0.64 0.43 0.00 -2.27 0.00 0.00 179.45 177.84 1nvl h ALA 8 N 1.07 1.17 0.27 5.00 0.00 0.75 0.21 119.26 127.73 1nvl h ALA 8 Ca 0.18 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1nvl h ALA 8 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nvl h ALA 8 CO -0.02 -0.00 -0.13 0.00 0.00 0.00 0.00 179.25 179.10 1nvl h ALA 9 N 1.49 -0.37 -0.49 0.00 0.00 0.18 0.20 119.26 120.28 1nvl h ALA 9 Ca 0.41 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.30 1nvl h ALA 9 Cb 0.47 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 1nvl h ALA 9 CO -0.29 -0.66 -0.31 0.93 0.00 0.00 0.00 179.25 178.92 1nvl h GLU 10 N -0.46 -0.19 0.09 0.00 5.08 0.62 0.12 114.58 119.83 1nvl h GLU 10 Ca -0.04 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1nvl h GLU 10 Cb 0.35 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1nvl h GLU 10 CO 0.06 -0.13 -0.29 0.93 -1.00 0.00 0.00 179.01 178.58 1nvl h GLU 11 N -0.20 -0.47 -0.58 2.33 4.39 -0.32 -2.50 114.58 117.22 1nvl h GLU 11 Ca 0.21 0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.99 1nvl h GLU 11 Cb 0.53 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.24 1nvl h GLU 11 CO -0.60 -0.32 0.31 -0.24 -1.16 0.00 0.00 179.01 177.00 1nvl h VAL 12 N -0.49 0.95 -0.23 3.13 3.04 0.85 0.25 116.25 123.75 1nvl h VAL 12 Ca 0.04 -0.20 0.07 0.00 -1.01 0.00 0.00 66.70 65.60 1nvl h VAL 12 Cb 0.54 0.32 -0.01 0.00 -2.01 0.00 0.00 31.29 30.13 1nvl h VAL 12 CO -0.19 0.11 0.42 0.11 -1.01 0.00 0.00 177.57 177.01 1nvl h LYS 13 N 0.58 0.00 -0.23 4.17 1.57 -0.40 0.20 116.57 122.46 1nvl h LYS 13 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1nvl h LYS 13 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1nvl h LYS 13 CO -0.18 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.42 1nvl n HIS 14 N -3.31 0.30 -1.86 -1.35 8.25 0.07 -4.91 115.22 112.41 1nvl n HIS 14 Ca 0.03 -0.15 -0.40 0.00 -0.26 0.00 0.00 57.72 56.95 1nvl n HIS 14 Cb 0.54 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 1nvl n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1nvl s LEU 15 N -1.51 3.40 0.00 2.41 1.43 0.70 -4.85 118.68 120.26 1nvl s LEU 15 Ca 0.33 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1nvl s LEU 15 Cb 0.18 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1nvl s LEU 15 CO 0.27 -2.24 0.52 0.29 0.23 0.00 0.00 176.35 175.42 1nvl n LYS 16 N 8.86 0.00 -3.40 1.70 4.76 -1.26 -4.12 118.16 124.70 1nvl n LYS 16 Ca 0.26 0.06 -0.27 0.00 -2.87 0.00 0.00 58.31 55.49 1nvl n LYS 16 Cb 0.50 -1.51 -0.10 0.00 -1.84 0.00 0.00 35.03 32.08 1nvl n LYS 16 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1nvl s THR 17 N -2.03 0.37 0.00 -0.18 2.01 -1.26 -5.07 115.64 109.47 1nvl s THR 17 Ca 0.00 -2.64 0.00 0.00 0.31 0.00 0.00 61.69 59.36 1nvl s THR 17 Cb 0.00 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 71.24 1nvl s THR 17 CO 0.00 -1.23 0.00 0.29 -0.69 0.00 0.00 174.62 172.99 1nvl n LYS 18 N 2.88 0.00 -0.82 4.92 5.02 -1.26 -4.81 118.16 124.09 1nvl n LYS 18 Ca 0.29 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.24 1nvl n LYS 18 Cb 0.47 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.59 1nvl n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1nvl n PRO 19 N 0.00 -0.55 -1.64 1.97 -0.02 -1.26 -4.92 135.00 128.57 1nvl n PRO 19 Ca 0.00 -0.14 -0.41 0.00 -2.02 0.00 0.00 63.50 60.93 1nvl n PRO 19 Cb 0.00 -1.58 0.01 0.00 -0.02 0.00 0.00 33.50 31.91 1nvl n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nvl n ALA 20 N -3.60 0.51 -0.10 3.55 0.00 -1.26 -4.62 120.51 114.99 1nvl n ALA 20 Ca 0.03 0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.58 1nvl n ALA 20 Cb 0.58 -2.14 -0.09 0.00 0.00 0.00 0.00 19.45 17.80 1nvl n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nvl h ASP 21 N 1.73 -1.73 -0.87 0.00 5.19 -1.98 0.07 116.42 118.82 1nvl h ASP 21 Ca -0.45 0.22 0.13 0.00 -0.62 0.00 0.00 57.03 56.30 1nvl h ASP 21 Cb 1.32 0.70 -0.13 0.00 0.18 0.00 0.00 39.33 41.40 1nvl h ASP 21 CO 0.58 -0.40 -0.37 -0.62 -3.12 0.00 0.00 179.24 175.31 1nvl n GLU 22 N -5.23 -0.23 0.06 3.56 1.02 -1.26 0.74 120.64 119.29 1nvl n GLU 22 Ca -0.04 1.34 -0.12 0.00 -0.02 0.00 0.00 57.16 58.32 1nvl n GLU 22 Cb 0.33 -1.98 -0.05 0.00 -0.02 0.00 0.00 31.44 29.71 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 -0.18 -0.02 3.49 5.08 -1.66 0.25 114.58 121.54 1nvl h GLU 23 Ca 0.28 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.68 1nvl h GLU 23 Cb 0.49 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1nvl h GLU 23 CO -0.86 -0.12 -0.34 0.52 -1.00 0.00 0.00 179.01 177.21 1nvl h MET 24 N -0.19 -0.46 -0.68 2.33 2.86 0.16 0.11 114.93 119.06 1nvl h MET 24 Ca 0.03 0.03 0.14 0.00 -2.06 0.00 0.00 59.70 57.84 1nvl h MET 24 Cb 0.22 0.10 -0.12 0.00 0.06 0.00 0.00 31.60 31.86 1nvl h MET 24 CO -0.08 -0.31 -0.06 -0.07 1.06 0.00 0.00 176.91 177.45 1nvl h LEU 25 N -0.48 -0.42 0.59 1.22 3.38 0.76 0.58 115.31 120.94 1nvl h LEU 25 Ca 0.06 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1nvl h LEU 25 Cb 0.57 0.34 0.01 0.00 0.09 0.00 0.00 40.66 41.67 1nvl h LEU 25 CO -0.29 -0.17 -0.28 0.15 0.09 0.00 0.00 178.44 177.93 1nvl h PHE 26 N 0.07 -0.73 -0.72 1.13 3.04 0.22 0.13 116.94 120.08 1nvl h PHE 26 Ca 0.35 -0.02 0.16 0.00 3.98 0.00 0.00 57.97 62.44 1nvl h PHE 26 Cb 0.58 0.24 -0.13 0.00 2.56 0.00 0.00 35.95 39.20 1nvl h PHE 26 CO -0.44 -0.46 -0.04 0.82 -2.02 0.00 0.00 178.31 176.17 1nvl h ILE 27 N -0.99 0.35 0.10 1.41 1.08 -0.36 -0.06 117.51 119.05 1nvl h ILE 27 Ca -0.08 -0.03 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1nvl h ILE 27 Cb 0.61 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 1nvl h ILE 27 CO 0.13 0.01 -0.12 0.22 -0.69 0.00 0.00 178.15 177.71 1nvl h TYR 28 N 0.08 -0.34 -0.55 1.37 5.03 0.25 0.47 116.97 123.28 1nvl h TYR 28 Ca 0.38 0.00 0.11 0.00 2.58 0.00 0.00 58.73 61.80 1nvl h TYR 28 Cb 0.64 0.13 -0.11 0.00 1.55 0.00 0.00 36.73 38.95 1nvl h TYR 28 CO -0.45 -0.15 -0.23 0.66 -1.32 0.00 0.00 178.16 176.67 1nvl h SER 29 N -0.22 -0.79 0.74 -2.11 4.64 -0.33 0.20 113.55 115.67 1nvl h SER 29 Ca -0.01 0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 1nvl h SER 29 Cb 0.20 0.44 0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1nvl h SER 29 CO -0.03 -0.25 -0.35 0.45 -0.87 0.00 0.00 176.83 175.78 1nvl h HIS 30 N -0.09 -0.92 -0.84 4.77 3.86 -0.97 0.15 115.15 121.11 1nvl h HIS 30 Ca 0.25 -0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.56 1nvl h HIS 30 Cb 0.49 0.30 -0.08 0.00 1.06 0.00 0.00 27.41 29.18 1nvl h HIS 30 CO -0.53 -0.55 0.46 -0.92 0.86 0.00 0.00 177.93 177.25 1nvl h TYR 31 N -1.15 0.81 0.23 2.45 3.20 0.40 0.59 116.97 123.51 1nvl h TYR 31 Ca -0.10 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1nvl h TYR 31 Cb 0.78 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 1nvl h TYR 31 CO -0.00 0.26 -0.15 0.87 -1.64 0.00 0.00 178.16 177.50 1nvl h LYS 32 N 0.71 -0.34 -0.10 1.82 6.56 -0.44 -2.33 116.57 122.45 1nvl h LYS 32 Ca 0.43 0.02 0.04 0.00 -1.06 0.00 0.00 60.65 60.09 1nvl h LYS 32 Cb 0.52 0.08 -0.05 0.00 -0.57 0.00 0.00 32.23 32.20 1nvl h LYS 32 CO -0.31 -0.23 -0.23 0.37 -2.06 0.00 0.00 179.45 177.00 1nvl h GLN 33 N -0.35 -0.29 -0.21 3.15 5.75 -0.35 0.36 115.11 123.17 1nvl h GLN 33 Ca -0.03 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.55 1nvl h GLN 33 Cb 0.28 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 1nvl h GLN 33 CO 0.03 -0.19 0.37 0.00 -2.65 0.00 0.00 178.83 176.38 1nvl h ALA 34 N 0.65 1.75 0.00 3.38 0.00 0.16 0.95 119.26 126.14 1nvl h ALA 34 Ca 0.09 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1nvl h ALA 34 Cb 0.44 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1nvl h ALA 34 CO -0.28 -0.48 -1.69 0.25 0.00 0.00 0.00 179.25 177.06 1nvl n THR 35 N -3.38 0.69 -0.01 0.00 -2.24 -0.88 -4.62 114.28 103.84 1nvl n THR 35 Ca 0.03 -0.24 -0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1nvl n THR 35 Cb 0.48 -1.13 -0.00 0.00 -2.10 0.00 0.00 70.33 67.58 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 -0.13 0.00 0.00 2.28 2.07 -0.22 -3.51 116.25 116.74 1nvl h VAL 36 Ca -0.28 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1nvl h VAL 36 Cb 1.38 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1nvl h VAL 36 CO -0.08 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.12 1nvl n GLY 37 N 1.83 1.32 3.80 2.17 0.00 0.32 -4.99 105.19 109.65 1nvl n GLY 37 Ca -0.01 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 5.50 -1.07 1.61 1.11 -1.26 -4.11 116.67 114.45 1nvl s ASP 38 Ca 0.00 1.78 -0.23 0.00 0.18 0.00 0.00 52.55 54.28 1nvl s ASP 38 Cb 0.00 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.45 1nvl s ASP 38 CO 0.00 -1.36 1.80 -0.51 1.18 0.00 0.00 175.17 176.28 1nvl s ILE 39 N -2.65 3.69 -0.53 0.77 2.07 -1.26 -4.68 121.20 118.61 1nvl s ILE 39 Ca 0.62 -0.86 -0.02 0.00 -1.41 0.00 0.00 60.65 58.98 1nvl s ILE 39 Cb -0.16 -4.59 0.35 0.00 0.13 0.00 0.00 42.46 38.19 1nvl s ILE 39 CO 0.44 -1.36 2.04 0.59 -1.91 0.00 0.00 174.94 174.75 1nvl n ASN 40 N 12.05 7.20 -4.09 4.50 3.02 -1.26 -4.82 115.26 131.85 1nvl n ASN 40 Ca 0.41 -3.49 -0.07 0.00 -0.03 0.00 0.00 54.58 51.40 1nvl n ASN 40 Cb 0.48 -1.02 -0.10 0.00 -0.61 0.00 0.00 39.78 38.53 1nvl n ASN 40 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1nvl s THR 41 N -3.77 0.23 0.88 3.41 -4.23 -1.26 -5.18 115.64 105.72 1nvl s THR 41 Ca 0.51 -1.81 -0.12 0.00 -1.18 0.00 0.00 61.69 59.08 1nvl s THR 41 Cb 0.40 -1.52 0.16 0.00 1.34 0.00 0.00 72.50 72.87 1nvl s THR 41 CO -0.02 -1.00 1.23 -1.61 -0.54 0.00 0.00 174.62 172.68 1nvl s GLU 42 N -3.92 1.16 -0.47 3.99 2.02 -1.26 -5.03 118.70 115.20 1nvl s GLU 42 Ca 0.07 -0.40 -0.17 0.00 0.02 0.00 0.00 54.97 54.49 1nvl s GLU 42 Cb 0.08 -1.96 0.05 0.00 0.10 0.00 0.00 34.13 32.40 1nvl s GLU 42 CO -0.10 -2.03 0.48 0.50 0.02 0.00 0.00 175.26 174.12 1nvl s ARG 43 N -5.68 3.06 0.10 1.61 3.52 -1.26 -4.96 118.95 115.34 1nvl s ARG 43 Ca 0.70 -1.02 0.09 0.00 -0.13 0.00 0.00 55.73 55.37 1nvl s ARG 43 Cb -0.06 -4.07 0.33 0.00 -1.56 0.00 0.00 34.95 29.59 1nvl s ARG 43 CO 0.50 -1.03 0.31 -2.30 -0.81 0.00 0.00 175.30 171.97 1nvl n PRO 44 N 5.62 -0.00 0.00 5.12 -0.01 -1.26 -4.78 135.00 139.68 1nvl n PRO 44 Ca -0.09 0.22 0.00 0.00 -0.01 0.00 0.00 63.50 63.62 1nvl n PRO 44 Cb 0.45 -0.49 0.00 0.00 -0.01 0.00 0.00 33.50 33.45 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 -1.16 -0.20 0.42 -1.23 0.00 -1.26 -4.15 105.19 97.60 1nvl n GLY 45 Ca 0.09 0.13 -0.14 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 -0.63 -6.08 1.61 2.86 -2.02 -3.43 114.93 107.24 1nvl h MET 46 Ca 0.00 0.04 -0.58 0.00 -2.06 0.00 0.00 59.70 57.10 1nvl h MET 46 Cb 0.00 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 1nvl h MET 46 CO 0.00 -0.42 -0.52 -0.51 1.06 0.00 0.00 176.91 176.51 1nvl s LEU 47 N -9.44 4.12 0.00 1.22 1.43 -1.26 -5.03 118.68 109.71 1nvl s LEU 47 Ca -0.14 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1nvl s LEU 47 Cb 0.05 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.55 1nvl s LEU 47 CO 0.52 0.10 0.00 -0.67 0.23 0.00 0.00 176.35 176.54 1nvl n ASP 48 N -0.13 0.00 -0.12 2.29 -0.08 -1.26 -0.53 116.55 116.71 1nvl n ASP 48 Ca -0.07 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.18 1nvl n ASP 48 Cb 0.53 -0.07 -0.03 0.00 2.34 0.00 0.00 41.12 43.89 1nvl n ASP 48 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1nvl n PHE 49 N -1.57 -0.13 1.10 -0.67 -1.74 -1.26 0.79 117.46 113.98 1nvl n PHE 49 Ca 0.00 0.37 0.12 0.00 -0.56 0.00 0.00 57.45 57.38 1nvl n PHE 49 Cb 0.00 -0.42 0.35 0.00 1.52 0.00 0.00 39.48 40.93 1nvl n PHE 49 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 1nvl n LYS 50 N -3.73 1.94 0.00 3.97 4.81 -1.26 -3.20 118.16 120.69 1nvl n LYS 50 Ca 0.01 -1.40 0.00 0.00 -0.87 0.00 0.00 58.31 56.05 1nvl n LYS 50 Cb 0.08 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.68 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 1.24 0.55 0.08 3.14 0.00 0.24 -4.89 105.19 105.55 1nvl n GLY 51 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.11 0.00 1.61 1.57 0.18 -3.26 116.57 116.56 1nvl h LYS 52 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1nvl h LYS 52 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1nvl h LYS 52 CO 0.00 -0.05 0.00 0.00 -0.57 0.00 0.00 179.45 178.83 1nvl n ALA 53 N -2.15 0.00 0.00 3.86 0.00 0.82 0.19 120.51 123.23 1nvl n ALA 53 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1nvl n ALA 53 Cb 0.08 0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1nvl n ALA 53 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1nvl n LYS 54 N -2.66 0.00 -0.13 0.00 2.85 -1.19 -0.21 118.16 116.81 1nvl n LYS 54 Ca 0.00 0.30 -0.26 0.00 -1.05 0.00 0.00 58.31 57.30 1nvl n LYS 54 Cb 0.00 -1.60 -0.11 0.00 -0.65 0.00 0.00 35.03 32.68 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 -1.28 0.05 0.15 5.58 -0.00 0.13 -3.81 117.44 118.26 1nvl n TRP 55 Ca 0.00 0.02 -0.14 0.00 -0.00 0.00 0.00 57.50 57.38 1nvl n TRP 55 Cb 0.10 -1.01 -0.07 0.00 -0.00 0.00 0.00 31.31 30.33 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 -0.69 -0.48 -0.43 5.87 5.19 0.27 0.43 116.42 126.58 1nvl h ASP 56 Ca -0.66 0.04 0.12 0.00 -0.62 0.00 0.00 57.03 55.92 1nvl h ASP 56 Cb 1.70 0.16 -0.02 0.00 0.18 0.00 0.00 39.33 41.35 1nvl h ASP 56 CO -0.32 -0.28 0.66 0.00 -3.12 0.00 0.00 179.24 176.18 1nvl h ALA 57 N 0.32 2.14 0.01 3.45 0.00 -0.77 0.33 119.26 124.74 1nvl h ALA 57 Ca -0.01 -0.02 -0.40 0.00 0.00 0.00 0.00 54.91 54.48 1nvl h ALA 57 Cb 0.38 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1nvl h ALA 57 CO -0.02 -0.88 -2.37 1.87 0.00 0.00 0.00 179.25 177.85 1nvl n TRP 58 N -3.30 0.21 -0.24 0.00 -0.00 0.49 -4.27 117.44 110.34 1nvl n TRP 58 Ca 0.08 0.06 0.04 0.00 -0.00 0.00 0.00 57.50 57.69 1nvl n TRP 58 Cb 0.82 -1.03 0.17 0.00 -0.00 0.00 0.00 31.31 31.27 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 -0.38 0.12 0.00 5.87 -1.24 0.82 0.70 115.58 121.47 1nvl h ASN 59 Ca -0.59 0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.54 1nvl h ASN 59 Cb 1.79 0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.98 1nvl h ASN 59 CO -0.19 0.03 0.20 -0.62 -1.29 0.00 0.00 177.43 175.56 1nvl n GLU 60 N -5.09 0.06 -0.04 6.67 1.02 -0.00 -0.74 120.64 122.53 1nvl n GLU 60 Ca 0.13 0.49 0.01 0.00 -0.02 0.00 0.00 57.16 57.78 1nvl n GLU 60 Cb 0.41 -1.90 0.03 0.00 -0.02 0.00 0.00 31.44 29.96 1nvl n GLU 60 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nvl n LEU 61 N -1.81 2.09 -4.67 -4.62 4.77 0.24 -5.02 117.00 107.98 1nvl n LEU 61 Ca -0.01 -1.87 -0.38 0.00 -0.03 0.00 0.00 56.01 53.72 1nvl n LEU 61 Cb 0.21 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1nvl n LEU 61 CO 0.04 0.52 0.73 1.17 -1.33 0.00 0.00 177.39 178.52 1nvl n LYS 62 N -0.20 1.23 0.00 3.23 4.81 0.08 -1.50 118.16 125.81 1nvl n LYS 62 Ca 0.03 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1nvl n LYS 62 Cb 0.26 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 32.99 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 1.07 1.93 3.45 3.14 0.00 -1.26 -5.00 105.19 108.51 1nvl n GLY 63 Ca 0.12 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 2.05 -2.92 2.61 -1.04 -0.56 -4.87 114.28 109.54 1nvl n THR 64 Ca 0.00 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.08 1nvl n THR 64 Cb 0.00 -0.62 -0.05 0.00 -1.82 0.00 0.00 70.33 67.84 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 -1.15 6.41 0.06 8.00 0.01 -1.26 -4.92 113.70 120.84 1nvl s SER 65 Ca 0.68 -0.13 -0.06 0.00 1.31 0.00 0.00 55.95 57.75 1nvl s SER 65 Cb -0.45 -2.40 0.05 0.00 0.21 0.00 0.00 66.02 63.42 1nvl s SER 65 CO 0.55 -0.99 0.43 0.29 0.41 0.00 0.00 173.24 173.94 1nvl n LYS 66 N 6.89 -0.08 -0.06 12.44 5.02 -1.26 -0.75 118.16 140.37 1nvl n LYS 66 Ca 0.03 0.42 -0.09 0.00 -2.02 0.00 0.00 58.31 56.65 1nvl n LYS 66 Cb 0.48 -0.63 -0.03 0.00 -0.02 0.00 0.00 35.03 34.83 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 -0.31 -0.87 1.97 5.08 -1.91 -1.80 114.58 116.73 1nvl h GLU 67 Ca 0.08 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1nvl h GLU 67 Cb 0.15 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1nvl h GLU 67 CO -0.27 -0.20 0.57 -0.44 -1.00 0.00 0.00 179.01 177.67 1nvl h ASP 68 N -0.32 0.93 -0.97 1.42 5.19 -1.35 0.50 116.42 121.82 1nvl h ASP 68 Ca 0.13 -0.01 0.13 0.00 -0.62 0.00 0.00 57.03 56.66 1nvl h ASP 68 Cb 0.54 -0.21 -0.09 0.00 0.18 0.00 0.00 39.33 39.75 1nvl h ASP 68 CO -0.45 0.63 0.59 0.00 -3.12 0.00 0.00 179.24 176.89 1nvl h ALA 69 N 1.50 1.47 0.15 3.45 0.00 -1.31 -2.07 119.26 122.45 1nvl h ALA 69 Ca 0.35 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.31 1nvl h ALA 69 Cb 0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1nvl h ALA 69 CO -0.11 0.15 -0.53 0.52 0.00 0.00 0.00 179.25 179.28 1nvl h MET 70 N 0.91 -0.75 -0.98 0.00 2.86 -0.32 0.35 114.93 117.00 1nvl h MET 70 Ca 0.49 0.05 0.11 0.00 -2.06 0.00 0.00 59.70 58.29 1nvl h MET 70 Cb 0.53 0.17 -0.13 0.00 0.06 0.00 0.00 31.60 32.23 1nvl h MET 70 CO -0.29 -0.50 -0.50 1.63 1.06 0.00 0.00 176.91 178.31 1nvl n LYS 71 N -5.50 -0.36 -0.08 1.72 5.02 -0.79 -0.32 118.16 117.85 1nvl n LYS 71 Ca -0.09 1.49 -0.11 0.00 -2.02 0.00 0.00 58.31 57.58 1nvl n LYS 71 Cb 0.42 -2.19 -0.04 0.00 -0.02 0.00 0.00 35.03 33.20 1nvl n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nvl h ALA 72 N 0.81 0.34 -0.49 7.82 0.00 -1.30 0.68 119.26 127.12 1nvl h ALA 72 Ca 0.22 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1nvl h ALA 72 Cb 0.47 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 1nvl h ALA 72 CO -0.94 0.04 -0.23 -0.92 0.00 0.00 0.00 179.25 177.20 1nvl h TYR 73 N 0.23 -0.57 -0.04 0.00 3.20 0.18 0.81 116.97 120.77 1nvl h TYR 73 Ca 0.08 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1nvl h TYR 73 Cb 0.35 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 1nvl h TYR 73 CO 0.02 -0.31 0.02 0.82 -1.64 0.00 0.00 178.16 177.08 1nvl h ILE 74 N -0.12 1.06 -0.01 1.81 2.04 -0.54 0.34 117.51 122.09 1nvl h ILE 74 Ca 0.23 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1nvl h ILE 74 Cb 0.47 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1nvl h ILE 74 CO -0.57 0.05 0.01 0.44 0.00 0.00 0.00 178.15 178.08 1nvl h ASP 75 N -0.01 0.00 0.00 1.72 3.32 0.10 0.12 116.42 121.68 1nvl h ASP 75 Ca 0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1nvl h ASP 75 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1nvl h ASP 75 CO -0.00 0.00 -0.22 0.50 -1.72 0.00 0.00 179.24 177.80 1nvl h LYS 76 N 0.00 0.14 -0.52 3.56 1.63 0.19 0.57 116.57 122.14 1nvl h LYS 76 Ca 0.00 -0.16 0.10 0.00 -0.85 0.00 0.00 60.65 59.75 1nvl h LYS 76 Cb 0.02 0.05 -0.10 0.00 -0.60 0.00 0.00 32.23 31.59 1nvl h LYS 76 CO -0.00 0.92 -0.16 0.28 -3.45 0.00 0.00 179.45 177.05 1nvl h VAL 77 N -0.57 0.43 -0.04 2.00 2.07 0.85 0.38 116.25 121.37 1nvl h VAL 77 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1nvl h VAL 77 Cb 1.00 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1nvl h VAL 77 CO 0.04 0.00 -0.43 -0.33 0.02 0.00 0.00 177.57 176.87 1nvl h GLU 78 N -0.03 -0.49 -0.83 1.57 3.07 -0.62 0.37 114.58 117.62 1nvl h GLU 78 Ca 0.25 0.03 0.13 0.00 -0.50 0.00 0.00 59.36 59.27 1nvl h GLU 78 Cb 0.41 0.11 -0.14 0.00 -0.84 0.00 0.00 28.75 28.30 1nvl h GLU 78 CO -0.55 -0.33 -0.40 0.93 -1.40 0.00 0.00 179.01 177.26 1nvl h GLU 79 N -0.51 -0.08 0.46 2.33 5.08 0.12 0.38 114.58 122.37 1nvl h GLU 79 Ca 0.02 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1nvl h GLU 79 Cb 0.56 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1nvl h GLU 79 CO -0.31 -0.05 -0.43 -0.07 -1.00 0.00 0.00 179.01 177.14 1nvl h LEU 80 N -0.08 -1.18 -0.57 1.33 3.38 0.14 -1.58 115.31 116.76 1nvl h LEU 80 Ca 0.27 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.40 1nvl h LEU 80 Cb 0.56 0.38 -0.09 0.00 0.09 0.00 0.00 40.66 41.61 1nvl h LEU 80 CO -0.86 -0.58 -0.56 0.50 0.09 0.00 0.00 178.44 177.03 1nvl h LYS 81 N -0.88 -0.28 -0.93 1.13 3.64 0.46 0.55 116.57 120.26 1nvl h LYS 81 Ca -0.06 0.02 0.23 0.00 -1.27 0.00 0.00 60.65 59.57 1nvl h LYS 81 Cb 0.76 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.52 1nvl h LYS 81 CO -0.04 -0.19 0.46 0.87 -2.27 0.00 0.00 179.45 178.29 1nvl h LYS 82 N -0.29 0.45 -0.13 1.90 1.57 -0.78 0.33 116.57 119.63 1nvl h LYS 82 Ca 0.10 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 1nvl h LYS 82 Cb 0.55 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.76 1nvl h LYS 82 CO -0.69 0.30 -0.47 0.87 -0.57 0.00 0.00 179.45 178.89 1nvl h LYS 83 N 0.47 0.55 0.00 3.15 1.57 0.33 -3.39 116.57 119.24 1nvl h LYS 83 Ca 0.59 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1nvl h LYS 83 Cb 1.11 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1nvl h LYS 83 CO -0.51 1.04 -1.67 0.66 -0.57 0.00 0.00 179.45 178.41 1nvl n TYR 84 N -4.24 0.00 0.00 -1.35 4.01 0.16 -5.07 117.16 110.68 1nvl n TYR 84 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1nvl n TYR 84 Cb 0.58 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 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 1.34 0.97 0.00 2.72 0.00 0.05 -4.83 105.19 105.45 1nvl n GLY 85 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83