#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 0.00 1.43 -0.00 -1.26 -4.82 117.38 112.73 1nvl n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1nvl n GLN 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 1nvl n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1nvl n ALA 3 N -1.00 0.10 0.09 2.61 0.00 -1.26 -0.39 120.51 120.65 1nvl n ALA 3 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1nvl n ALA 3 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 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 0.12 0.00 5.08 -1.97 0.21 114.58 118.01 1nvl h GLU 4 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1nvl h GLU 4 Cb 0.73 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1nvl h GLU 4 CO 0.00 0.69 -1.42 0.35 -1.00 0.00 0.00 179.01 177.63 1nvl h PHE 5 N 0.00 0.46 -0.39 4.33 3.04 -1.09 -0.95 116.94 122.35 1nvl h PHE 5 Ca -0.03 -0.34 -0.02 0.00 3.98 0.00 0.00 57.97 61.56 1nvl h PHE 5 Cb 1.59 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 40.07 1nvl h PHE 5 CO 0.00 1.34 0.15 -0.44 -2.02 0.00 0.00 178.31 177.33 1nvl h ASP 6 N 0.07 0.54 -0.47 0.41 3.32 -1.51 0.35 116.42 119.13 1nvl h ASP 6 Ca -0.20 -0.18 0.08 0.00 0.02 0.00 0.00 57.03 56.75 1nvl h ASP 6 Cb 2.00 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 41.35 1nvl h ASP 6 CO 0.18 0.57 0.10 0.50 -1.72 0.00 0.00 179.24 178.87 1nvl h LYS 7 N 0.48 0.24 0.26 3.56 3.64 -0.50 0.39 116.57 124.63 1nvl h LYS 7 Ca 0.13 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1nvl h LYS 7 Cb 0.20 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1nvl h LYS 7 CO -0.01 0.16 -0.13 0.00 -2.27 0.00 0.00 179.45 177.20 1nvl h ALA 8 N 1.36 -0.35 -0.41 5.00 0.00 -0.20 0.48 119.26 125.13 1nvl h ALA 8 Ca 0.23 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1nvl h ALA 8 Cb 0.29 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 1nvl h ALA 8 CO -0.29 -0.68 -0.36 0.00 0.00 0.00 0.00 179.25 177.92 1nvl h ALA 9 N 0.34 -0.25 0.33 0.00 0.00 0.14 0.93 119.26 120.76 1nvl h ALA 9 Ca -0.04 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nvl h ALA 9 Cb 0.30 0.77 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1nvl h ALA 9 CO 0.06 -0.77 -0.17 0.93 0.00 0.00 0.00 179.25 179.30 1nvl h GLU 10 N -0.27 -0.44 -0.51 0.00 3.07 -0.19 0.51 114.58 116.74 1nvl h GLU 10 Ca 0.17 0.03 0.15 0.00 -0.50 0.00 0.00 59.36 59.21 1nvl h GLU 10 Cb 0.56 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 1nvl h GLU 10 CO -0.56 -0.30 0.44 0.93 -1.40 0.00 0.00 179.01 178.12 1nvl h GLU 11 N -0.46 0.00 -0.02 2.33 5.08 0.50 0.18 114.58 122.19 1nvl h GLU 11 Ca -0.04 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1nvl h GLU 11 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1nvl h GLU 11 CO 0.07 0.00 -0.67 -0.24 -1.00 0.00 0.00 179.01 177.16 1nvl h VAL 12 N 0.00 1.39 -0.27 3.13 3.04 0.45 -2.75 116.25 121.23 1nvl h VAL 12 Ca 0.24 -2.08 0.08 0.00 -1.01 0.00 0.00 66.70 63.94 1nvl h VAL 12 Cb 1.12 2.49 -0.01 0.00 -2.01 0.00 0.00 31.29 32.88 1nvl h VAL 12 CO -0.00 0.61 0.34 0.11 -1.01 0.00 0.00 177.57 177.62 1nvl h LYS 13 N 0.03 0.00 -0.22 4.17 1.57 0.28 0.33 116.57 122.72 1nvl h LYS 13 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1nvl h LYS 13 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1nvl h LYS 13 CO 0.13 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.73 1nvl n HIS 14 N -3.64 0.29 -0.73 -1.35 8.25 -0.63 -4.61 115.22 112.80 1nvl n HIS 14 Ca 0.04 -0.14 -0.08 0.00 -0.26 0.00 0.00 57.72 57.28 1nvl n HIS 14 Cb 0.48 0.00 -0.11 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 0.62 4.30 0.00 2.41 4.77 0.11 -4.78 117.00 124.44 1nvl n LEU 15 Ca 0.17 -2.54 0.00 0.00 -0.03 0.00 0.00 56.01 53.60 1nvl n LEU 15 Cb 0.40 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 1nvl n LEU 15 CO 0.13 1.20 0.00 2.29 -1.33 0.00 0.00 177.39 179.69 1nvl n LYS 16 N 2.38 0.00 -1.89 3.23 2.85 -1.26 -0.68 118.16 122.79 1nvl n LYS 16 Ca 0.28 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 57.15 1nvl n LYS 16 Cb 0.68 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 35.10 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 -1.36 3.59 0.00 0.58 -1.04 -1.26 -4.97 114.28 109.81 1nvl n THR 17 Ca 0.00 -4.22 0.00 0.00 -2.04 0.00 0.00 64.05 57.79 1nvl n THR 17 Cb 0.00 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 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 -0.48 0.00 -0.81 -2.82 0.00 0.14 -4.76 118.16 109.43 1nvl n LYS 18 Ca 0.54 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.51 1nvl n LYS 18 Cb 0.25 0.00 0.12 0.00 -0.00 0.00 0.00 35.03 35.40 1nvl n LYS 18 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1nvl n PRO 19 N 0.00 -0.77 -1.50 -1.58 -0.02 -1.26 -4.94 135.00 124.93 1nvl n PRO 19 Ca 0.00 -0.21 -0.34 0.00 -2.02 0.00 0.00 63.50 60.93 1nvl n PRO 19 Cb 0.00 -1.52 0.09 0.00 -0.02 0.00 0.00 33.50 32.05 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 -2.20 2.18 0.17 3.55 0.00 -1.26 -4.63 121.76 119.56 1nvl s ALA 20 Ca 0.50 0.85 -0.22 0.00 0.00 0.00 0.00 51.96 53.09 1nvl s ALA 20 Cb -0.11 -3.45 0.08 0.00 0.00 0.00 0.00 23.12 19.64 1nvl s ALA 20 CO 0.69 -1.78 1.59 -0.44 0.00 0.00 0.00 175.76 175.82 1nvl h ASP 21 N -0.20 -1.14 -0.30 0.00 5.19 -1.98 0.58 116.42 118.57 1nvl h ASP 21 Ca -0.48 0.21 0.07 0.00 -0.62 0.00 0.00 57.03 56.21 1nvl h ASP 21 Cb 1.29 0.54 -0.08 0.00 0.18 0.00 0.00 39.33 41.26 1nvl h ASP 21 CO 0.50 -0.32 -0.31 -0.33 -3.12 0.00 0.00 179.24 175.67 1nvl h GLU 22 N -0.22 -0.28 -0.80 3.56 4.39 -1.99 0.60 114.58 119.84 1nvl h GLU 22 Ca 0.19 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 1nvl h GLU 22 Cb 0.54 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 1nvl h GLU 22 CO -0.60 -0.19 0.42 0.93 -1.16 0.00 0.00 179.01 178.42 1nvl h GLU 23 N -0.29 1.14 0.25 2.33 4.39 -1.83 -0.50 114.58 120.07 1nvl h GLU 23 Ca 0.15 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1nvl h GLU 23 Cb 0.53 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1nvl h GLU 23 CO -0.47 0.85 -0.43 0.52 -1.16 0.00 0.00 179.01 178.33 1nvl h MET 24 N 1.12 -0.73 -0.75 2.33 2.86 0.66 -1.48 114.93 118.96 1nvl h MET 24 Ca 0.28 0.05 0.13 0.00 -2.06 0.00 0.00 59.70 58.10 1nvl h MET 24 Cb 0.07 0.16 -0.13 0.00 0.06 0.00 0.00 31.60 31.76 1nvl h MET 24 CO -0.04 -0.48 -0.34 -0.07 1.06 0.00 0.00 176.91 177.04 1nvl h LEU 25 N -0.75 -1.21 0.89 1.22 3.38 0.80 0.46 115.31 120.10 1nvl h LEU 25 Ca -0.01 0.26 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 1nvl h LEU 25 Cb 0.72 0.63 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1nvl h LEU 25 CO -0.17 -0.30 -0.49 0.15 0.09 0.00 0.00 178.44 177.72 1nvl h PHE 26 N -0.09 -1.29 -0.61 1.13 3.04 -0.82 0.12 116.94 118.43 1nvl h PHE 26 Ca 0.29 -0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.32 1nvl h PHE 26 Cb 0.57 0.45 -0.11 0.00 2.56 0.00 0.00 35.95 39.41 1nvl h PHE 26 CO -0.72 -0.75 -0.35 0.82 -2.02 0.00 0.00 178.31 175.29 1nvl h ILE 27 N -1.27 0.15 0.27 1.41 1.08 -0.60 0.11 117.51 118.66 1nvl h ILE 27 Ca -0.12 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1nvl h ILE 27 Cb 1.00 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 1nvl h ILE 27 CO 0.16 0.00 -0.39 0.22 -0.69 0.00 0.00 178.15 177.45 1nvl h TYR 28 N -0.17 -1.11 -0.27 1.37 5.03 0.09 0.18 116.97 122.09 1nvl h TYR 28 Ca 0.23 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.61 1nvl h TYR 28 Cb 0.56 0.45 -0.06 0.00 1.55 0.00 0.00 36.73 39.22 1nvl h TYR 28 CO -0.66 -0.49 -0.11 0.66 -1.32 0.00 0.00 178.16 176.24 1nvl h SER 29 N -0.70 -0.38 0.02 -2.11 4.64 -0.22 0.19 113.55 115.00 1nvl h SER 29 Ca -0.03 0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1nvl h SER 29 Cb 0.63 0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.90 1nvl h SER 29 CO -0.11 -0.14 -0.24 0.45 -0.87 0.00 0.00 176.83 175.92 1nvl h HIS 30 N -0.06 -0.65 -0.73 4.77 3.86 -0.65 0.28 115.15 121.97 1nvl h HIS 30 Ca 0.14 0.02 0.15 0.00 -1.16 0.00 0.00 60.37 59.52 1nvl h HIS 30 Cb 0.27 0.28 -0.10 0.00 1.06 0.00 0.00 27.41 28.93 1nvl h HIS 30 CO -0.30 -0.33 0.24 -0.92 0.86 0.00 0.00 177.93 177.48 1nvl h TYR 31 N -0.39 0.40 0.03 2.45 3.20 0.35 0.50 116.97 123.51 1nvl h TYR 31 Ca 0.05 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1nvl h TYR 31 Cb 0.46 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1nvl h TYR 31 CO -0.27 -0.00 -0.01 0.87 -1.64 0.00 0.00 178.16 177.11 1nvl h LYS 32 N 0.36 -0.04 0.00 1.82 1.79 1.00 0.62 116.57 122.12 1nvl h LYS 32 Ca 0.41 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.83 1nvl h LYS 32 Cb 0.65 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 1nvl h LYS 32 CO -0.44 0.07 -0.22 -0.56 -1.08 0.00 0.00 179.45 177.22 1nvl h GLN 33 N -0.14 0.00 0.06 3.15 3.07 0.41 -0.17 115.11 121.49 1nvl h GLN 33 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.49 1nvl h GLN 33 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.69 1nvl h GLN 33 CO 0.01 0.22 -1.07 0.00 0.09 0.00 0.00 178.83 178.08 1nvl h ALA 34 N 1.78 0.25 0.00 0.06 0.00 0.19 -3.28 119.26 118.26 1nvl h ALA 34 Ca -0.00 -0.78 -0.43 0.00 0.00 0.00 0.00 54.91 53.69 1nvl h ALA 34 Cb 0.67 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1nvl h ALA 34 CO 0.03 0.88 -2.50 0.25 0.00 0.00 0.00 179.25 177.90 1nvl n THR 35 N -3.66 1.52 -0.08 0.00 -2.24 0.19 -4.65 114.28 105.35 1nvl n THR 35 Ca -0.08 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.15 1nvl n THR 35 Cb 0.91 -1.70 -0.04 0.00 -2.10 0.00 0.00 70.33 67.41 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 -3.85 1.46 0.00 2.28 0.31 -0.10 -5.09 118.33 113.34 1nvl n VAL 36 Ca -0.51 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1nvl n VAL 36 Cb 0.93 -2.30 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 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 1.53 1.11 3.75 2.92 0.00 -1.07 -5.02 105.19 108.41 1nvl n GLY 37 Ca -0.15 -0.99 -0.33 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 4.47 -0.23 1.61 1.11 -0.99 -4.50 116.67 114.13 1nvl s ASP 38 Ca 0.00 2.06 -0.07 0.00 0.18 0.00 0.00 52.55 54.72 1nvl s ASP 38 Cb 0.00 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.41 1nvl s ASP 38 CO 0.00 -2.07 0.05 -0.51 1.18 0.00 0.00 175.17 173.83 1nvl s ILE 39 N -2.44 4.26 -0.13 0.77 2.07 -1.26 -4.98 121.20 119.48 1nvl s ILE 39 Ca 0.67 -0.20 0.15 0.00 -1.41 0.00 0.00 60.65 59.87 1nvl s ILE 39 Cb -0.22 -2.97 0.37 0.00 0.13 0.00 0.00 42.46 39.78 1nvl s ILE 39 CO 0.48 0.37 1.18 0.59 -1.91 0.00 0.00 174.94 175.66 1nvl n ASN 40 N 4.62 1.51 -3.40 4.50 3.02 -1.26 -5.04 115.26 119.21 1nvl n ASN 40 Ca -0.16 -3.19 -0.11 0.00 -0.03 0.00 0.00 54.58 51.09 1nvl n ASN 40 Cb 0.52 -0.44 0.02 0.00 -0.61 0.00 0.00 39.78 39.27 1nvl n ASN 40 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1nvl n THR 41 N -0.69 0.00 -4.58 3.41 -2.24 -1.26 -5.11 114.28 103.81 1nvl n THR 41 Ca 0.14 -0.98 -0.33 0.00 -2.27 0.00 0.00 64.05 60.60 1nvl n THR 41 Cb 0.80 -0.57 -0.11 0.00 -2.10 0.00 0.00 70.33 68.35 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 -3.20 2.68 -0.45 -0.78 -1.05 -1.26 -5.06 118.70 109.58 1nvl s GLU 42 Ca 0.24 -0.61 -0.30 0.00 -0.15 0.00 0.00 54.97 54.15 1nvl s GLU 42 Cb -0.02 -2.56 -0.10 0.00 -0.44 0.00 0.00 34.13 31.01 1nvl s GLU 42 CO 0.15 0.64 2.34 -2.13 0.95 0.00 0.00 175.26 177.21 1nvl n ARG 43 N 2.01 1.10 -0.81 -4.83 0.63 -1.26 -4.96 116.66 108.54 1nvl n ARG 43 Ca -0.17 0.21 -0.35 0.00 -0.92 0.00 0.00 57.85 56.62 1nvl n ARG 43 Cb 0.53 -2.81 0.11 0.00 0.45 0.00 0.00 32.46 30.74 1nvl n ARG 43 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1nvl n PRO 44 N 8.61 -0.90 0.00 -0.14 -0.02 -1.26 -5.04 135.00 136.25 1nvl n PRO 44 Ca 0.41 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1nvl n PRO 44 Cb 0.35 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 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 2.63 0.22 0.00 -1.23 0.00 -1.26 -4.76 105.19 100.79 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 -1.01 0.00 0.00 1.61 2.81 -1.26 -4.30 117.12 114.97 1nvl n MET 46 Ca 0.00 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1nvl n MET 46 Cb 0.00 -0.07 0.00 0.00 -0.71 0.00 0.00 33.22 32.44 1nvl n MET 46 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1nvl n LEU 47 N -1.73 0.00 0.00 4.03 7.99 -1.26 -5.06 117.00 120.97 1nvl n LEU 47 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1nvl n LEU 47 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1nvl n LEU 47 CO 0.00 0.00 0.00 -0.67 -1.51 0.00 0.00 177.39 175.21 1nvl n ASP 48 N 0.00 0.00 -0.32 -1.43 -0.08 -1.26 -4.83 116.55 108.64 1nvl n ASP 48 Ca 0.00 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.46 1nvl n ASP 48 Cb 0.00 0.00 0.37 0.00 2.34 0.00 0.00 41.12 43.83 1nvl n ASP 48 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1nvl h PHE 49 N 0.00 0.68 0.00 -0.67 -0.00 -1.97 0.74 116.94 115.72 1nvl h PHE 49 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.97 58.01 1nvl h PHE 49 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 35.95 35.80 1nvl h PHE 49 CO 0.00 -0.15 -0.85 1.17 -0.00 0.00 0.00 178.31 178.48 1nvl n LYS 50 N -5.10 0.36 0.00 6.09 4.81 -1.26 -4.40 118.16 118.65 1nvl n LYS 50 Ca 0.26 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1nvl n LYS 50 Cb 0.81 -1.68 0.00 0.00 0.02 0.00 0.00 35.03 34.18 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 1.32 0.50 0.32 3.14 0.00 0.23 -4.67 105.19 106.03 1nvl n GLY 51 Ca 0.02 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.32 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 0.05 -0.23 1.61 1.57 -1.28 0.38 116.57 118.67 1nvl h LYS 52 Ca 0.00 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1nvl h LYS 52 Cb 0.00 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 1nvl h LYS 52 CO 0.00 0.04 -0.07 0.00 -0.57 0.00 0.00 179.45 178.85 1nvl h ALA 53 N 1.97 0.14 0.00 3.86 0.00 -0.95 0.99 119.26 125.27 1nvl h ALA 53 Ca 0.80 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.80 1nvl h ALA 53 Cb 2.02 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1nvl h ALA 53 CO -0.76 -0.48 0.00 0.87 0.00 0.00 0.00 179.25 178.88 1nvl h LYS 54 N -0.01 0.00 0.00 0.00 1.57 -0.45 0.55 116.57 118.24 1nvl h LYS 54 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1nvl h LYS 54 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1nvl h LYS 54 CO -0.24 0.00 0.00 1.87 -0.57 0.00 0.00 179.45 180.51 1nvl n TRP 55 N -2.44 0.00 0.00 -1.35 -0.00 0.13 -4.15 117.44 109.63 1nvl n TRP 55 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.49 1nvl n TRP 55 Cb 0.10 -0.05 0.00 0.00 -0.00 0.00 0.00 31.31 31.36 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 -1.51 0.00 -0.38 5.87 9.92 0.30 0.23 116.55 130.98 1nvl n ASP 56 Ca 0.00 0.45 0.33 0.00 -0.53 0.00 0.00 54.79 55.04 1nvl n ASP 56 Cb 0.00 -0.22 0.56 0.00 -0.64 0.00 0.00 41.12 40.82 1nvl n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nvl n ALA 57 N -2.39 1.10 -0.10 2.24 0.00 0.19 0.02 120.51 121.58 1nvl n ALA 57 Ca 0.00 0.76 -0.12 0.00 0.00 0.00 0.00 53.44 54.09 1nvl n ALA 57 Cb 0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 19.45 18.41 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 -4.50 0.09 -0.26 0.00 -0.00 0.79 -4.35 117.44 109.21 1nvl n TRP 58 Ca 0.34 0.03 -0.06 0.00 -0.00 0.00 0.00 57.50 57.81 1nvl n TRP 58 Cb 1.29 -1.02 0.05 0.00 -0.00 0.00 0.00 31.31 31.63 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 0.00 0.92 0.00 5.87 -1.24 0.36 0.25 115.58 121.75 1nvl h ASN 59 Ca -0.54 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 56.36 1nvl h ASN 59 Cb 2.17 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 40.98 1nvl h ASN 59 CO 0.01 0.77 0.02 -0.33 -1.29 0.00 0.00 177.43 176.62 1nvl h GLU 60 N 1.00 0.00 -0.02 6.67 3.07 -0.91 0.17 114.58 124.56 1nvl h GLU 60 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1nvl h GLU 60 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1nvl h GLU 60 CO -0.04 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.85 1nvl n LEU 61 N -2.62 1.42 -0.25 1.33 4.77 0.09 -4.89 117.00 116.85 1nvl n LEU 61 Ca -0.02 -1.16 0.19 0.00 -0.03 0.00 0.00 56.01 54.98 1nvl n LEU 61 Cb 0.07 -0.01 0.30 0.00 -2.33 0.00 0.00 43.42 41.45 1nvl n LEU 61 CO 0.14 0.33 0.54 1.17 -1.33 0.00 0.00 177.39 178.23 1nvl n LYS 62 N 0.11 -0.00 -0.23 3.23 4.81 0.65 -0.77 118.16 125.96 1nvl n LYS 62 Ca 0.02 0.42 0.09 0.00 -0.87 0.00 0.00 58.31 57.97 1nvl n LYS 62 Cb 0.11 -0.93 0.19 0.00 0.02 0.00 0.00 35.03 34.42 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 -1.31 4.59 3.71 3.14 0.00 -1.26 -2.35 105.19 111.71 1nvl n GLY 63 Ca 0.16 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.88 2.66 -0.35 2.61 2.01 0.05 -4.99 115.64 114.76 1nvl s THR 64 Ca 0.36 0.22 -0.17 0.00 0.31 0.00 0.00 61.69 62.40 1nvl s THR 64 Cb 0.31 -2.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 1nvl s THR 64 CO 0.05 -0.28 0.46 -0.94 -0.69 0.00 0.00 174.62 173.22 1nvl s SER 65 N -3.35 6.27 0.06 3.53 1.04 -1.26 -4.89 113.70 115.10 1nvl s SER 65 Ca 0.64 -0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.86 1nvl s SER 65 Cb -0.18 -2.24 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 1nvl s SER 65 CO 0.57 -0.43 0.74 0.29 0.98 0.00 0.00 173.24 175.39 1nvl n LYS 66 N 5.62 -0.16 -0.31 4.02 5.02 -1.24 -1.51 118.16 129.60 1nvl n LYS 66 Ca -0.06 0.73 0.29 0.00 -2.02 0.00 0.00 58.31 57.25 1nvl n LYS 66 Cb 0.49 -1.07 0.54 0.00 -0.02 0.00 0.00 35.03 34.97 1nvl n LYS 66 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1nvl n GLU 67 N -4.01 -0.06 0.12 1.97 1.02 -1.26 0.14 120.64 118.56 1nvl n GLU 67 Ca 0.01 1.32 -0.24 0.00 -0.02 0.00 0.00 57.16 58.23 1nvl n GLU 67 Cb 0.10 -2.35 -0.14 0.00 -0.02 0.00 0.00 31.44 29.02 1nvl n GLU 67 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1nvl h ASP 68 N 0.00 0.87 -0.92 1.62 3.32 -1.69 -2.80 116.42 116.84 1nvl h ASP 68 Ca 0.79 -0.87 0.03 0.00 0.02 0.00 0.00 57.03 57.00 1nvl h ASP 68 Cb 2.07 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 41.29 1nvl h ASP 68 CO -0.74 1.66 0.60 0.00 -1.72 0.00 0.00 179.24 179.04 1nvl h ALA 69 N 0.22 1.40 0.56 3.45 0.00 -0.12 -0.60 119.26 124.17 1nvl h ALA 69 Ca -0.22 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1nvl h ALA 69 Cb 2.04 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 19.50 1nvl h ALA 69 CO 0.26 0.52 -0.27 0.52 0.00 0.00 0.00 179.25 180.28 1nvl h MET 70 N 1.17 -0.72 -0.51 0.00 2.86 -0.44 0.43 114.93 117.72 1nvl h MET 70 Ca 0.36 0.05 0.05 0.00 -2.06 0.00 0.00 59.70 58.10 1nvl h MET 70 Cb -0.02 0.16 -0.08 0.00 0.06 0.00 0.00 31.60 31.73 1nvl h MET 70 CO -0.10 -0.47 -0.44 0.87 1.06 0.00 0.00 176.91 177.83 1nvl h LYS 71 N -0.78 -0.17 -0.05 1.72 1.57 -0.88 0.21 116.57 118.20 1nvl h LYS 71 Ca -0.08 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1nvl h LYS 71 Cb 0.59 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1nvl h LYS 71 CO 0.13 -0.11 -0.10 0.00 -0.57 0.00 0.00 179.45 178.80 1nvl h ALA 72 N -0.13 -0.07 -0.38 3.86 0.00 -1.18 0.97 119.26 122.33 1nvl h ALA 72 Ca 0.08 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1nvl h ALA 72 Cb 0.39 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1nvl h ALA 72 CO -0.57 -0.58 -0.41 -0.92 0.00 0.00 0.00 179.25 176.77 1nvl h TYR 73 N -0.15 -1.19 -0.64 0.00 3.20 0.83 0.54 116.97 119.56 1nvl h TYR 73 Ca 0.05 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1nvl h TYR 73 Cb 0.22 0.58 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 1nvl h TYR 73 CO -0.18 -0.43 0.38 0.82 -1.64 0.00 0.00 178.16 177.11 1nvl h ILE 74 N -0.33 1.19 0.00 1.81 2.04 -0.35 0.31 117.51 122.17 1nvl h ILE 74 Ca 0.14 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1nvl h ILE 74 Cb 0.58 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1nvl h ILE 74 CO -0.56 0.19 -0.05 0.44 0.00 0.00 0.00 178.15 178.18 1nvl h ASP 75 N 0.87 0.00 0.00 1.72 5.19 0.49 0.75 116.42 125.44 1nvl h ASP 75 Ca 0.23 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.62 1nvl h ASP 75 Cb -0.02 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.49 1nvl h ASP 75 CO -0.04 0.05 -0.10 0.50 -3.12 0.00 0.00 179.24 176.52 1nvl h LYS 76 N 0.00 0.00 -0.49 3.56 1.63 0.14 -1.62 116.57 119.79 1nvl h LYS 76 Ca -0.00 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.90 1nvl h LYS 76 Cb 0.44 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.97 1nvl h LYS 76 CO 0.01 0.95 -0.27 0.28 -3.45 0.00 0.00 179.45 176.97 1nvl h VAL 77 N -1.00 0.28 -0.30 2.00 2.07 0.35 0.59 116.25 120.23 1nvl h VAL 77 Ca -0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.56 1nvl h VAL 77 Cb 0.98 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 1nvl h VAL 77 CO -0.02 0.00 -0.18 -0.08 0.02 0.00 0.00 177.57 177.31 1nvl h GLU 78 N -0.16 -0.14 -0.50 1.57 4.22 -0.90 0.28 114.58 118.96 1nvl h GLU 78 Ca 0.22 0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.76 1nvl h GLU 78 Cb 0.51 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 1nvl h GLU 78 CO -0.58 -0.09 -0.00 0.93 -2.18 0.00 0.00 179.01 177.09 1nvl h GLU 79 N -0.15 0.11 -0.35 1.92 4.39 0.98 0.14 114.58 121.62 1nvl h GLU 79 Ca 0.16 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.90 1nvl h GLU 79 Cb 0.39 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 1nvl h GLU 79 CO -0.39 0.07 0.09 -0.07 -1.16 0.00 0.00 179.01 177.55 1nvl h LEU 80 N 0.11 0.06 0.10 1.33 3.38 0.95 -1.26 115.31 119.99 1nvl h LEU 80 Ca 0.25 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.29 1nvl h LEU 80 Cb 0.38 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1nvl h LEU 80 CO -0.42 0.07 -0.32 0.50 0.09 0.00 0.00 178.44 178.36 1nvl h LYS 81 N 0.22 -0.52 -0.98 1.13 3.64 0.68 0.47 116.57 121.21 1nvl h LYS 81 Ca 0.16 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.76 1nvl h LYS 81 Cb 0.17 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.01 1nvl h LYS 81 CO -0.20 -0.35 0.61 0.87 -2.27 0.00 0.00 179.45 178.12 1nvl h LYS 82 N -0.54 0.69 -0.02 1.90 1.57 -0.19 0.24 116.57 120.23 1nvl h LYS 82 Ca 0.03 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 1nvl h LYS 82 Cb 0.58 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.74 1nvl h LYS 82 CO -0.20 0.46 -0.58 0.87 -0.57 0.00 0.00 179.45 179.43 1nvl h LYS 83 N 0.71 0.43 0.00 3.15 1.57 -0.25 -3.40 116.57 118.79 1nvl h LYS 83 Ca 0.54 -0.43 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1nvl h LYS 83 Cb 0.90 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1nvl h LYS 83 CO -0.31 1.09 -1.55 0.66 -0.57 0.00 0.00 179.45 178.77 1nvl n TYR 84 N -4.22 0.60 0.00 -1.35 4.01 0.16 -5.05 117.16 111.30 1nvl n TYR 84 Ca -0.10 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1nvl n TYR 84 Cb 0.65 -0.87 0.00 0.00 -0.31 0.00 0.00 39.34 38.82 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 1.32 2.00 0.00 2.72 0.00 0.04 -4.92 105.19 106.35 1nvl n GLY 85 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83