#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 0.00 -0.33 4.33 7.27 -1.26 -4.40 117.38 122.99 1nvl n GLN 2 Ca 0.00 0.05 0.01 0.00 0.07 0.00 0.00 57.00 57.13 1nvl n GLN 2 Cb 0.00 -0.05 0.07 0.00 2.41 0.00 0.00 30.24 32.67 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 2.66 0.01 -0.21 1.69 0.00 -1.26 -0.07 120.51 123.33 1nvl n ALA 3 Ca 0.00 0.90 -0.01 0.00 0.00 0.00 0.00 53.44 54.32 1nvl n ALA 3 Cb 0.00 -0.45 0.10 0.00 0.00 0.00 0.00 19.45 19.09 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 0.56 -0.07 0.00 5.08 -1.98 0.29 114.58 118.45 1nvl h GLU 4 Ca 0.34 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.49 1nvl h GLU 4 Cb 0.56 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.69 1nvl h GLU 4 CO -0.87 0.37 -0.66 0.35 -1.00 0.00 0.00 179.01 177.20 1nvl h PHE 5 N 0.57 0.80 -0.50 4.33 3.57 -1.44 -2.24 116.94 122.04 1nvl h PHE 5 Ca 0.29 -0.39 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 1nvl h PHE 5 Cb 0.24 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1nvl h PHE 5 CO -0.11 1.19 0.26 -0.44 -2.23 0.00 0.00 178.31 176.98 1nvl h ASP 6 N 0.19 0.64 -0.42 0.41 3.32 -0.18 0.30 116.42 120.67 1nvl h ASP 6 Ca -0.06 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 56.90 1nvl h ASP 6 Cb 1.32 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1nvl h ASP 6 CO 0.13 0.57 0.23 0.50 -1.72 0.00 0.00 179.24 178.95 1nvl h LYS 7 N 0.66 0.45 0.28 3.56 3.64 -0.48 0.49 116.57 125.18 1nvl h LYS 7 Ca 0.17 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1nvl h LYS 7 Cb 0.08 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1nvl h LYS 7 CO -0.02 0.30 -0.13 0.00 -2.27 0.00 0.00 179.45 177.32 1nvl h ALA 8 N 1.20 -0.37 -0.43 5.00 0.00 -0.66 0.70 119.26 124.69 1nvl h ALA 8 Ca 0.17 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1nvl h ALA 8 Cb 0.04 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 1nvl h ALA 8 CO -0.10 -0.69 -0.25 0.00 0.00 0.00 0.00 179.25 178.21 1nvl h ALA 9 N 0.31 0.01 0.16 0.00 0.00 0.14 0.35 119.26 120.22 1nvl h ALA 9 Ca -0.04 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nvl h ALA 9 Cb 0.31 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1nvl h ALA 9 CO 0.06 -0.62 -0.35 0.93 0.00 0.00 0.00 179.25 179.27 1nvl h GLU 10 N -0.17 -0.54 -0.68 0.00 5.08 0.24 0.29 114.58 118.80 1nvl h GLU 10 Ca 0.20 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.74 1nvl h GLU 10 Cb 0.49 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 29.74 1nvl h GLU 10 CO -0.53 -0.36 -0.04 0.93 -1.00 0.00 0.00 179.01 178.00 1nvl h GLU 11 N -0.56 0.08 -0.12 2.33 5.08 -0.40 -2.32 114.58 118.67 1nvl h GLU 11 Ca -0.02 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1nvl h GLU 11 Cb 0.53 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1nvl h GLU 11 CO -0.15 0.05 -0.14 -0.24 -1.00 0.00 0.00 179.01 177.53 1nvl h VAL 12 N 0.08 1.36 -0.01 3.13 3.04 0.04 -2.87 116.25 121.02 1nvl h VAL 12 Ca 0.35 -1.33 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 1nvl h VAL 12 Cb 0.58 1.96 -0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1nvl h VAL 12 CO -0.62 0.38 0.32 0.11 -1.01 0.00 0.00 177.57 176.76 1nvl h LYS 13 N -0.10 0.00 -0.30 4.17 1.57 0.08 0.34 116.57 122.34 1nvl h LYS 13 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1nvl h LYS 13 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1nvl h LYS 13 CO 0.03 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.63 1nvl n HIS 14 N -2.91 0.39 0.00 -1.35 8.25 -0.96 -4.86 115.22 113.78 1nvl n HIS 14 Ca -0.02 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1nvl n HIS 14 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 1.04 0.00 0.00 2.41 4.77 0.12 -4.78 117.00 120.56 1nvl n LEU 15 Ca 0.18 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1nvl n LEU 15 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1nvl n LEU 15 CO 0.15 -0.32 0.00 2.29 -1.33 0.00 0.00 177.39 178.17 1nvl n LYS 16 N 2.37 0.00 -2.18 3.23 2.85 -1.26 -0.94 118.16 122.24 1nvl n LYS 16 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 1nvl n LYS 16 Cb 0.00 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.41 1nvl n LYS 16 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1nvl n THR 17 N -1.80 4.40 0.00 0.58 -1.04 -1.26 -4.96 114.28 110.20 1nvl n THR 17 Ca 0.00 -4.88 0.00 0.00 -2.04 0.00 0.00 64.05 57.13 1nvl n THR 17 Cb 0.00 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 1nvl n THR 17 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1nvl n LYS 18 N -0.38 0.00 -0.85 -2.82 2.85 -0.12 -4.82 118.16 112.03 1nvl n LYS 18 Ca 0.51 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.50 1nvl n LYS 18 Cb 0.25 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.68 1nvl n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1nvl n PRO 19 N 0.00 -0.45 -2.90 -1.58 -0.02 -1.26 -4.99 135.00 123.80 1nvl n PRO 19 Ca 0.00 -0.13 -0.33 0.00 -2.02 0.00 0.00 63.50 61.02 1nvl n PRO 19 Cb 0.00 -1.14 -0.07 0.00 -0.02 0.00 0.00 33.50 32.27 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 -2.04 3.13 0.04 3.55 0.00 -1.26 -4.81 121.76 120.37 1nvl s ALA 20 Ca 0.30 0.32 -0.08 0.00 0.00 0.00 0.00 51.96 52.51 1nvl s ALA 20 Cb 0.04 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 1nvl s ALA 20 CO 0.47 0.19 0.96 -0.25 0.00 0.00 0.00 175.76 177.13 1nvl n ASP 21 N -0.41 -0.26 -0.28 0.00 9.92 -1.26 -0.27 116.55 123.99 1nvl n ASP 21 Ca 0.05 1.02 -0.11 0.00 -0.53 0.00 0.00 54.79 55.22 1nvl n ASP 21 Cb 0.53 -0.35 -0.08 0.00 -0.64 0.00 0.00 41.12 40.58 1nvl n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1nvl h GLU 22 N 0.00 -0.18 -0.03 -1.24 5.08 -1.98 0.70 114.58 116.93 1nvl h GLU 22 Ca 0.04 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1nvl h GLU 22 Cb 0.10 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1nvl h GLU 22 CO -0.23 -0.12 -0.15 0.93 -1.00 0.00 0.00 179.01 178.44 1nvl h GLU 23 N -0.19 0.04 0.50 2.33 5.08 -1.77 -0.67 114.58 119.89 1nvl h GLU 23 Ca 0.14 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1nvl h GLU 23 Cb 0.52 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1nvl h GLU 23 CO -0.77 0.19 -0.24 0.52 -1.00 0.00 0.00 179.01 177.71 1nvl h MET 24 N 0.04 -0.64 -0.88 2.33 2.86 0.25 -3.03 114.93 115.87 1nvl h MET 24 Ca 0.01 0.04 0.21 0.00 -2.06 0.00 0.00 59.70 57.90 1nvl h MET 24 Cb 0.29 0.15 -0.16 0.00 0.06 0.00 0.00 31.60 31.93 1nvl h MET 24 CO 0.02 -0.34 -0.06 -0.07 1.06 0.00 0.00 176.91 177.53 1nvl h LEU 25 N -0.96 -0.54 0.54 1.22 3.38 0.66 0.37 115.31 119.98 1nvl h LEU 25 Ca -0.07 0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1nvl h LEU 25 Cb 0.60 0.45 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1nvl h LEU 25 CO 0.11 -0.27 -0.48 0.15 0.09 0.00 0.00 178.44 178.04 1nvl h PHE 26 N 0.04 -1.31 -0.17 1.13 3.04 -1.10 0.25 116.94 118.83 1nvl h PHE 26 Ca 0.48 0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.48 1nvl h PHE 26 Cb 0.87 0.50 -0.05 0.00 2.56 0.00 0.00 35.95 39.83 1nvl h PHE 26 CO -0.53 -0.66 -0.16 0.82 -2.02 0.00 0.00 178.31 175.76 1nvl h ILE 27 N -1.01 0.57 -0.31 1.41 1.08 -0.69 0.30 117.51 118.87 1nvl h ILE 27 Ca -0.06 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.47 1nvl h ILE 27 Cb 0.86 0.57 -0.08 0.00 -3.07 0.00 0.00 36.82 35.10 1nvl h ILE 27 CO -0.03 0.00 -0.42 0.22 -0.69 0.00 0.00 178.15 177.23 1nvl h TYR 28 N -0.18 -1.23 0.39 1.37 5.03 0.04 0.39 116.97 122.79 1nvl h TYR 28 Ca 0.11 0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.46 1nvl h TYR 28 Cb 0.34 0.58 0.00 0.00 1.55 0.00 0.00 36.73 39.20 1nvl h TYR 28 CO -0.29 -0.45 -0.19 0.66 -1.32 0.00 0.00 178.16 176.57 1nvl h SER 29 N -0.38 -0.44 -0.41 -2.11 4.64 -0.20 0.01 113.55 114.66 1nvl h SER 29 Ca 0.11 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.48 1nvl h SER 29 Cb 0.60 0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.75 1nvl h SER 29 CO -0.51 -0.27 0.09 0.45 -0.87 0.00 0.00 176.83 175.72 1nvl h HIS 30 N -0.57 0.15 0.86 4.77 3.86 -0.10 0.47 115.15 124.59 1nvl h HIS 30 Ca -0.05 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.14 1nvl h HIS 30 Cb 0.43 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1nvl h HIS 30 CO -0.04 0.02 -0.46 -0.92 0.86 0.00 0.00 177.93 177.40 1nvl h TYR 31 N 0.22 -1.19 -0.68 2.45 3.20 -0.10 0.47 116.97 121.34 1nvl h TYR 31 Ca 0.20 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.15 1nvl h TYR 31 Cb 0.23 0.41 -0.08 0.00 1.54 0.00 0.00 36.73 38.83 1nvl h TYR 31 CO -0.20 -0.71 0.30 0.87 -1.64 0.00 0.00 178.16 176.78 1nvl h LYS 32 N -1.21 0.48 0.00 1.82 6.56 -0.72 0.35 116.57 123.86 1nvl h LYS 32 Ca -0.12 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.45 1nvl h LYS 32 Cb 0.94 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.50 1nvl h LYS 32 CO 0.16 0.32 0.00 1.04 -2.06 0.00 0.00 179.45 178.91 1nvl n GLN 33 N -4.94 0.00 -0.31 3.15 1.13 0.16 0.33 117.38 116.90 1nvl n GLN 33 Ca 0.11 0.59 0.35 0.00 -1.94 0.00 0.00 57.00 56.10 1nvl n GLN 33 Cb 0.30 -1.43 0.65 0.00 0.11 0.00 0.00 30.24 29.88 1nvl n GLN 33 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nvl h ALA 34 N -1.73 3.08 0.00 -1.58 0.00 0.23 0.31 119.26 119.58 1nvl h ALA 34 Ca 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 1nvl h ALA 34 Cb 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1nvl h ALA 34 CO 0.00 -1.68 -1.96 0.25 0.00 0.00 0.00 179.25 175.86 1nvl n THR 35 N -3.69 0.95 -0.09 0.00 -2.24 0.09 -4.69 114.28 104.61 1nvl n THR 35 Ca 0.26 -0.30 -0.17 0.00 -2.27 0.00 0.00 64.05 61.57 1nvl n THR 35 Cb 1.44 -1.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.17 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 -0.32 0.63 0.00 2.28 2.07 0.05 -3.51 116.25 117.46 1nvl h VAL 36 Ca -0.41 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1nvl h VAL 36 Cb 1.48 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1nvl h VAL 36 CO -0.16 0.21 0.00 0.61 0.02 0.00 0.00 177.57 178.25 1nvl n GLY 37 N 1.49 0.75 3.77 2.17 0.00 0.11 -5.00 105.19 108.48 1nvl n GLY 37 Ca -0.25 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 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 4.50 -0.11 1.61 1.11 -1.26 -4.32 116.67 114.20 1nvl s ASP 38 Ca 0.00 1.63 -0.12 0.00 0.18 0.00 0.00 52.55 54.24 1nvl s ASP 38 Cb 0.00 -2.38 -0.05 0.00 1.07 0.00 0.00 42.92 41.57 1nvl s ASP 38 CO 0.00 -2.01 0.29 -0.51 1.18 0.00 0.00 175.17 174.12 1nvl s ILE 39 N -2.98 5.28 -0.12 0.77 2.07 -1.26 -4.95 121.20 120.00 1nvl s ILE 39 Ca 0.61 0.55 0.15 0.00 -1.41 0.00 0.00 60.65 60.55 1nvl s ILE 39 Cb -0.16 -3.60 0.29 0.00 0.13 0.00 0.00 42.46 39.11 1nvl s ILE 39 CO 0.56 0.49 1.15 -0.46 -1.91 0.00 0.00 174.94 174.77 1nvl n ASN 40 N 2.75 1.84 -4.80 4.50 0.23 -1.26 -5.04 115.26 113.48 1nvl n ASN 40 Ca -0.14 -3.07 -0.23 0.00 -0.53 0.00 0.00 54.58 50.60 1nvl n ASN 40 Cb 0.53 -0.42 -0.05 0.00 -2.08 0.00 0.00 39.78 37.76 1nvl n ASN 40 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1nvl s THR 41 N -2.45 2.41 0.25 5.53 -4.23 -1.26 -5.15 115.64 110.75 1nvl s THR 41 Ca 0.29 -1.55 0.07 0.00 -1.18 0.00 0.00 61.69 59.32 1nvl s THR 41 Cb 0.27 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 1nvl s THR 41 CO -0.00 0.00 0.17 -1.83 -0.54 0.00 0.00 174.62 172.41 1nvl s GLU 42 N -4.01 2.84 0.43 3.99 -1.05 -1.26 -5.08 118.70 114.56 1nvl s GLU 42 Ca 0.43 -1.08 -0.26 0.00 -0.15 0.00 0.00 54.97 53.91 1nvl s GLU 42 Cb 0.01 -2.52 -0.09 0.00 -0.44 0.00 0.00 34.13 31.09 1nvl s GLU 42 CO 0.24 0.40 1.44 0.50 0.95 0.00 0.00 175.26 178.80 1nvl s ARG 43 N -3.76 3.80 0.18 -4.83 3.52 -1.26 -4.95 118.95 111.65 1nvl s ARG 43 Ca 0.32 2.45 -0.18 0.00 -0.13 0.00 0.00 55.73 58.19 1nvl s ARG 43 Cb -0.08 -2.74 0.13 0.00 -1.56 0.00 0.00 34.95 30.71 1nvl s ARG 43 CO 0.24 -0.74 1.63 -1.35 -0.81 0.00 0.00 175.30 174.27 1nvl h PRO 44 N 2.51 -0.10 0.00 5.12 0.11 -1.91 -3.47 132.00 134.26 1nvl h PRO 44 Ca -0.51 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1nvl h PRO 44 Cb 1.26 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1nvl h PRO 44 CO 0.62 -0.07 0.00 0.41 -0.21 0.00 0.00 178.00 178.75 1nvl n GLY 45 N -1.40 2.23 0.00 -0.55 0.00 -1.26 -4.72 105.19 99.49 1nvl n GLY 45 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.94 1.61 2.81 -1.26 -4.59 117.12 111.74 1nvl n MET 46 Ca 0.00 0.76 -0.21 0.00 -1.81 0.00 0.00 57.70 56.43 1nvl n MET 46 Cb 0.00 -1.18 -0.04 0.00 -0.71 0.00 0.00 33.22 31.30 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 -4.90 3.77 0.06 4.03 1.43 -1.26 -5.07 118.68 116.73 1nvl s LEU 47 Ca 0.00 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 1nvl s LEU 47 Cb 0.00 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1nvl s LEU 47 CO 0.00 -0.19 -0.03 -0.90 0.23 0.00 0.00 176.35 175.45 1nvl n ASP 48 N -1.30 1.03 0.00 2.29 5.75 -1.26 -3.97 116.55 119.09 1nvl n ASP 48 Ca -0.05 0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.87 1nvl n ASP 48 Cb 0.59 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1nvl n ASP 48 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1nvl n PHE 49 N -3.44 0.00 -0.11 2.11 1.16 -1.26 -0.82 117.46 115.10 1nvl n PHE 49 Ca -0.01 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.36 1nvl n PHE 49 Cb 0.05 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.80 1nvl n PHE 49 CO 0.00 0.00 0.00 0.36 -1.87 0.00 0.00 176.76 175.25 1nvl n LYS 50 N -1.04 0.65 0.00 3.97 2.85 -1.26 -3.89 118.16 119.44 1nvl n LYS 50 Ca 0.00 0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 1nvl n LYS 50 Cb 0.00 -1.55 0.00 0.00 -0.65 0.00 0.00 35.03 32.83 1nvl n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nvl n GLY 51 N 2.04 -2.49 0.17 2.58 0.00 -0.95 -0.29 105.19 106.24 1nvl n GLY 51 Ca -0.45 0.48 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 1nvl n GLY 51 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nvl h LYS 52 N 0.00 0.30 -0.28 1.61 3.11 -1.10 -3.21 116.57 117.00 1nvl h LYS 52 Ca 0.00 -0.24 0.06 0.00 -2.81 0.00 0.00 60.65 57.66 1nvl h LYS 52 Cb 0.00 0.05 -0.08 0.00 -1.00 0.00 0.00 32.23 31.20 1nvl h LYS 52 CO 0.00 0.88 -0.38 0.00 -2.81 0.00 0.00 179.45 177.14 1nvl h ALA 53 N 1.06 -0.40 -1.02 5.00 0.00 -1.17 0.93 119.26 123.66 1nvl h ALA 53 Ca -0.02 0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.18 1nvl h ALA 53 Cb 1.24 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 19.69 1nvl h ALA 53 CO 0.11 -0.83 0.64 0.87 0.00 0.00 0.00 179.25 180.04 1nvl h LYS 54 N -0.36 0.49 0.00 0.00 1.57 -0.65 0.33 116.57 117.94 1nvl h LYS 54 Ca 0.12 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1nvl h LYS 54 Cb 0.58 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1nvl h LYS 54 CO -0.48 0.32 0.00 1.87 -0.57 0.00 0.00 179.45 180.59 1nvl n TRP 55 N -4.71 0.00 -0.08 -1.35 -0.00 0.99 -4.03 117.44 108.26 1nvl n TRP 55 Ca 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.73 1nvl n TRP 55 Cb 0.79 -0.12 -0.02 0.00 -0.00 0.00 0.00 31.31 31.96 1nvl n TRP 55 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1nvl n ASP 56 N -1.07 -0.20 -0.29 5.87 9.92 0.28 0.58 116.55 131.64 1nvl n ASP 56 Ca 0.00 0.48 0.34 0.00 -0.53 0.00 0.00 54.79 55.08 1nvl n ASP 56 Cb 0.00 -0.11 0.72 0.00 -0.64 0.00 0.00 41.12 41.08 1nvl n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nvl h ALA 57 N -0.05 3.03 0.02 2.24 0.00 -0.51 0.27 119.26 124.26 1nvl h ALA 57 Ca 0.03 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.53 1nvl h ALA 57 Cb 0.08 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1nvl h ALA 57 CO -0.18 -1.50 -2.34 1.87 0.00 0.00 0.00 179.25 177.11 1nvl n TRP 58 N -3.93 0.23 -0.26 0.00 -0.00 0.20 -4.15 117.44 109.53 1nvl n TRP 58 Ca 0.25 0.06 -0.06 0.00 -0.00 0.00 0.00 57.50 57.75 1nvl n TRP 58 Cb 1.29 -1.03 0.05 0.00 -0.00 0.00 0.00 31.31 31.62 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 0.91 -0.06 5.87 -1.24 0.13 0.76 115.58 121.95 1nvl h ASN 59 Ca -0.53 -0.10 0.02 0.00 0.71 0.00 0.00 56.30 56.40 1nvl h ASN 59 Cb 2.03 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 40.85 1nvl h ASN 59 CO -0.02 0.75 0.28 -0.33 -1.29 0.00 0.00 177.43 176.82 1nvl h GLU 60 N 0.99 0.00 -0.01 6.67 5.08 -0.75 0.05 114.58 126.62 1nvl h GLU 60 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1nvl h GLU 60 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1nvl h GLU 60 CO -0.04 0.00 -0.32 1.28 -1.00 0.00 0.00 179.01 178.93 1nvl n LEU 61 N -3.09 1.16 -4.61 1.33 4.77 0.12 -5.02 117.00 111.66 1nvl n LEU 61 Ca -0.01 -0.70 -0.58 0.00 -0.03 0.00 0.00 56.01 54.69 1nvl n LEU 61 Cb 0.36 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 1nvl n LEU 61 CO 0.17 0.24 0.90 1.17 -1.33 0.00 0.00 177.39 178.54 1nvl n LYS 62 N -0.47 0.52 0.00 3.23 0.00 0.00 -0.71 118.16 120.74 1nvl n LYS 62 Ca 0.04 0.19 0.00 0.00 0.00 0.00 0.00 58.31 58.54 1nvl n LYS 62 Cb 0.24 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 33.51 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 2.72 2.51 3.67 3.14 0.00 -1.26 -4.95 105.19 111.02 1nvl n GLY 63 Ca 0.23 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.04 3.22 0.75 2.61 2.01 0.12 -4.93 115.64 118.37 1nvl s THR 64 Ca 0.00 0.48 -0.15 0.00 0.31 0.00 0.00 61.69 62.34 1nvl s THR 64 Cb 0.00 -3.31 0.05 0.00 0.01 0.00 0.00 72.50 69.25 1nvl s THR 64 CO 0.00 -0.02 1.23 -0.55 -0.69 0.00 0.00 174.62 174.59 1nvl s SER 65 N 3.04 3.98 0.14 3.53 0.15 -1.26 -4.76 113.70 118.53 1nvl s SER 65 Ca 0.76 2.43 -0.30 0.00 0.70 0.00 0.00 55.95 59.54 1nvl s SER 65 Cb -0.38 -2.60 -0.08 0.00 -1.71 0.00 0.00 66.02 61.25 1nvl s SER 65 CO 0.33 -2.41 1.51 0.11 1.20 0.00 0.00 173.24 173.98 1nvl h LYS 66 N -0.41 -0.13 -0.89 5.44 1.57 -1.84 -2.24 116.57 118.07 1nvl h LYS 66 Ca -0.48 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.47 1nvl h LYS 66 Cb 1.31 0.03 -0.16 0.00 0.08 0.00 0.00 32.23 33.48 1nvl h LYS 66 CO 0.49 -0.09 -0.30 0.93 -0.57 0.00 0.00 179.45 179.91 1nvl h GLU 67 N -0.13 -0.02 -0.59 3.15 4.39 -1.91 0.66 114.58 120.13 1nvl h GLU 67 Ca 0.12 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 1nvl h GLU 67 Cb 0.45 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1nvl h GLU 67 CO -0.77 -0.02 0.08 -0.44 -1.16 0.00 0.00 179.01 176.71 1nvl h ASP 68 N -0.03 0.94 -0.08 1.42 5.19 -1.78 0.68 116.42 122.76 1nvl h ASP 68 Ca 0.37 -0.27 -0.10 0.00 -0.62 0.00 0.00 57.03 56.42 1nvl h ASP 68 Cb 0.62 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1nvl h ASP 68 CO -0.92 0.97 -0.24 0.00 -3.12 0.00 0.00 179.24 175.93 1nvl h ALA 69 N 1.01 1.08 0.70 3.45 0.00 -0.62 -1.72 119.26 123.15 1nvl h ALA 69 Ca 0.18 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1nvl h ALA 69 Cb 0.44 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1nvl h ALA 69 CO 0.01 0.56 -0.34 0.52 0.00 0.00 0.00 179.25 180.01 1nvl h MET 70 N 0.45 -0.91 0.00 0.00 2.86 0.17 0.75 114.93 118.25 1nvl h MET 70 Ca 0.07 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1nvl h MET 70 Cb 0.67 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1nvl h MET 70 CO 0.05 -0.59 0.00 1.63 1.06 0.00 0.00 176.91 179.06 1nvl n LYS 71 N -5.48 0.00 -0.31 1.72 5.02 0.09 -0.15 118.16 119.05 1nvl n LYS 71 Ca -0.14 0.85 0.13 0.00 -2.02 0.00 0.00 58.31 57.13 1nvl n LYS 71 Cb 0.38 -1.36 0.36 0.00 -0.02 0.00 0.00 35.03 34.40 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 -1.30 1.80 0.76 7.82 0.00 -1.30 0.26 119.26 127.30 1nvl h ALA 72 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1nvl h ALA 72 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1nvl h ALA 72 CO 0.00 -0.10 -0.42 -0.92 0.00 0.00 0.00 179.25 177.80 1nvl h TYR 73 N 0.71 -1.11 -0.70 0.00 3.20 0.23 0.29 116.97 119.59 1nvl h TYR 73 Ca 0.51 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.41 1nvl h TYR 73 Cb 0.85 0.39 -0.05 0.00 1.54 0.00 0.00 36.73 39.45 1nvl h TYR 73 CO -0.00 -0.65 0.42 0.82 -1.64 0.00 0.00 178.16 177.10 1nvl h ILE 74 N -1.10 1.03 -0.02 1.81 2.04 0.12 0.19 117.51 121.58 1nvl h ILE 74 Ca -0.10 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 1nvl h ILE 74 Cb 0.87 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1nvl h ILE 74 CO 0.13 0.14 -0.30 0.44 0.00 0.00 0.00 178.15 178.56 1nvl h ASP 75 N 0.78 0.03 -0.01 1.72 5.19 -0.34 0.20 116.42 124.00 1nvl h ASP 75 Ca 0.30 -0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.63 1nvl h ASP 75 Cb 0.12 -0.01 0.01 0.00 0.18 0.00 0.00 39.33 39.62 1nvl h ASP 75 CO -0.15 0.34 -0.26 0.50 -3.12 0.00 0.00 179.24 176.55 1nvl h LYS 76 N 0.03 0.20 0.02 3.56 1.63 0.71 -0.21 116.57 122.52 1nvl h LYS 76 Ca 0.00 -0.20 0.03 0.00 -0.85 0.00 0.00 60.65 59.63 1nvl h LYS 76 Cb 0.56 0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.19 1nvl h LYS 76 CO 0.04 0.91 -0.45 0.28 -3.45 0.00 0.00 179.45 176.78 1nvl h VAL 77 N -0.44 0.11 -0.46 2.00 2.07 0.09 0.33 116.25 119.96 1nvl h VAL 77 Ca -0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1nvl h VAL 77 Cb 0.99 0.11 -0.10 0.00 -1.52 0.00 0.00 31.29 30.78 1nvl h VAL 77 CO 0.05 0.00 -0.42 -0.33 0.02 0.00 0.00 177.57 176.90 1nvl h GLU 78 N -0.62 -0.27 -0.66 1.57 5.08 -0.57 0.43 114.58 119.55 1nvl h GLU 78 Ca 0.03 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.55 1nvl h GLU 78 Cb 0.68 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.88 1nvl h GLU 78 CO -0.31 -0.18 -0.05 0.93 -1.00 0.00 0.00 179.01 178.40 1nvl h GLU 79 N -0.28 0.08 -0.21 2.33 4.39 0.40 0.28 114.58 121.56 1nvl h GLU 79 Ca 0.16 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1nvl h GLU 79 Cb 0.57 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1nvl h GLU 79 CO -0.61 0.05 0.14 -0.07 -1.16 0.00 0.00 179.01 177.36 1nvl h LEU 80 N 0.08 0.25 -0.07 1.33 3.38 0.21 -0.34 115.31 120.14 1nvl h LEU 80 Ca 0.34 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.33 1nvl h LEU 80 Cb 0.56 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1nvl h LEU 80 CO -0.60 0.19 -0.31 0.50 0.09 0.00 0.00 178.44 178.31 1nvl h LYS 81 N 0.28 -0.40 -1.00 1.13 3.64 0.12 0.43 116.57 120.76 1nvl h LYS 81 Ca 0.08 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.63 1nvl h LYS 81 Cb -0.02 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 31.80 1nvl h LYS 81 CO -0.02 -0.27 0.62 0.87 -2.27 0.00 0.00 179.45 178.39 1nvl h LYS 82 N -0.42 0.89 0.05 1.90 1.57 -0.59 0.50 116.57 120.47 1nvl h LYS 82 Ca 0.08 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1nvl h LYS 82 Cb 0.54 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.66 1nvl h LYS 82 CO -0.31 0.59 -0.34 0.87 -0.57 0.00 0.00 179.45 179.69 1nvl h LYS 83 N 0.91 0.14 0.00 3.15 1.57 0.00 -3.40 116.57 118.94 1nvl h LYS 83 Ca 0.53 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 59.00 1nvl h LYS 83 Cb 0.63 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1nvl h LYS 83 CO -0.31 1.08 -1.22 0.66 -0.57 0.00 0.00 179.45 179.09 1nvl n TYR 84 N -4.41 0.98 -0.15 -1.35 4.01 0.14 -5.05 117.16 111.32 1nvl n TYR 84 Ca -0.11 0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 1nvl n TYR 84 Cb 0.61 -1.03 0.00 0.00 -0.31 0.00 0.00 39.34 38.62 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 1.29 1.28 0.00 2.72 0.00 0.16 -4.77 105.19 105.87 1nvl n GLY 85 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83