#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 0.50 0.07 1.43 0.74 -1.26 -5.06 119.66 116.08 1nvl s GLN 2 Ca 0.00 0.51 0.05 0.00 0.05 0.00 0.00 55.36 55.96 1nvl s GLN 2 Cb 0.00 0.23 0.27 0.00 1.10 0.00 0.00 33.01 34.61 1nvl s GLN 2 CO 0.00 -0.93 0.30 0.00 -0.55 0.00 0.00 175.29 174.11 1nvl n ALA 3 N 5.38 0.21 0.15 1.58 0.00 -1.26 0.28 120.51 126.85 1nvl n ALA 3 Ca 0.05 0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.72 1nvl n ALA 3 Cb 0.54 -0.20 0.08 0.00 0.00 0.00 0.00 19.45 19.87 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 0.00 0.00 4.39 -1.97 0.37 114.58 117.37 1nvl h GLU 4 Ca 0.16 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 1nvl h GLU 4 Cb 0.46 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1nvl h GLU 4 CO -0.13 0.44 -0.21 0.35 -1.16 0.00 0.00 179.01 178.29 1nvl h PHE 5 N 0.00 0.00 -0.40 4.33 3.57 -0.54 -2.38 116.94 121.51 1nvl h PHE 5 Ca -0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.57 1nvl h PHE 5 Cb 1.29 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.96 1nvl h PHE 5 CO 0.00 0.76 -0.05 -0.44 -2.23 0.00 0.00 178.31 176.35 1nvl h ASP 6 N -1.00 -0.28 -0.93 0.41 3.32 -1.44 0.31 116.42 116.81 1nvl h ASP 6 Ca -0.05 0.11 0.18 0.00 0.02 0.00 0.00 57.03 57.29 1nvl h ASP 6 Cb 0.77 0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.45 1nvl h ASP 6 CO -0.03 -0.10 0.60 0.50 -1.72 0.00 0.00 179.24 178.49 1nvl h LYS 7 N 0.05 0.61 -0.77 3.56 3.64 -0.28 0.28 116.57 123.65 1nvl h LYS 7 Ca 0.20 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1nvl h LYS 7 Cb 0.29 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1nvl h LYS 7 CO -0.38 0.41 0.39 0.00 -2.27 0.00 0.00 179.45 177.60 1nvl h ALA 8 N 1.61 1.24 -0.54 5.00 0.00 0.16 -2.31 119.26 124.41 1nvl h ALA 8 Ca 0.49 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.38 1nvl h ALA 8 Cb 0.91 -0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.29 1nvl h ALA 8 CO -0.25 0.60 -0.15 0.00 0.00 0.00 0.00 179.25 179.46 1nvl h ALA 9 N 1.34 0.34 0.13 0.00 0.00 0.19 0.16 119.26 121.42 1nvl h ALA 9 Ca 0.27 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.41 1nvl h ALA 9 Cb 0.07 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1nvl h ALA 9 CO -0.04 -0.45 -0.39 0.93 0.00 0.00 0.00 179.25 179.31 1nvl h GLU 10 N -0.01 -0.60 -0.16 0.00 3.07 -1.39 0.11 114.58 115.60 1nvl h GLU 10 Ca 0.26 0.04 0.05 0.00 -0.50 0.00 0.00 59.36 59.21 1nvl h GLU 10 Cb 0.41 0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 28.41 1nvl h GLU 10 CO -0.57 -0.40 -0.17 0.93 -1.40 0.00 0.00 179.01 177.40 1nvl h GLU 11 N -0.62 -0.19 -0.49 2.33 5.08 -0.95 0.12 114.58 119.86 1nvl h GLU 11 Ca 0.02 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1nvl h GLU 11 Cb 0.65 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1nvl h GLU 11 CO -0.22 -0.13 0.15 -0.24 -1.00 0.00 0.00 179.01 177.58 1nvl h VAL 12 N -0.20 1.23 -0.48 3.13 3.04 -0.58 -0.60 116.25 121.79 1nvl h VAL 12 Ca 0.11 -0.76 0.14 0.00 -1.01 0.00 0.00 66.70 65.17 1nvl h VAL 12 Cb 0.35 0.80 -0.02 0.00 -2.01 0.00 0.00 31.29 30.41 1nvl h VAL 12 CO -0.27 0.28 0.35 0.11 -1.01 0.00 0.00 177.57 177.02 1nvl h LYS 13 N 0.65 0.02 -0.00 4.17 1.79 -0.26 0.15 116.57 123.08 1nvl h LYS 13 Ca 0.16 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1nvl h LYS 13 Cb 0.27 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1nvl h LYS 13 CO -0.01 0.01 -0.29 0.72 -1.08 0.00 0.00 179.45 178.81 1nvl n HIS 14 N -4.40 0.00 -1.73 -1.35 8.25 0.36 -4.92 115.22 111.43 1nvl n HIS 14 Ca 0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.14 1nvl n HIS 14 Cb 0.54 -0.26 0.01 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.23 4.44 -0.52 2.41 4.77 0.52 -4.76 117.00 122.62 1nvl n LEU 15 Ca 0.09 1.15 0.12 0.00 -0.03 0.00 0.00 56.01 57.34 1nvl n LEU 15 Cb 0.33 -1.55 0.44 0.00 -2.33 0.00 0.00 43.42 40.30 1nvl n LEU 15 CO 0.30 -0.31 0.81 0.29 -1.33 0.00 0.00 177.39 177.15 1nvl n LYS 16 N 0.13 1.70 -5.11 3.23 5.02 -0.23 -4.77 118.16 118.12 1nvl n LYS 16 Ca 0.05 -1.03 -0.29 0.00 -2.02 0.00 0.00 58.31 55.01 1nvl n LYS 16 Cb 0.39 -1.43 -0.16 0.00 -0.02 0.00 0.00 35.03 33.81 1nvl n LYS 16 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1nvl s THR 17 N -1.87 1.82 -0.46 -0.18 2.01 -1.26 -5.08 115.64 110.61 1nvl s THR 17 Ca 0.35 -0.94 -0.21 0.00 0.31 0.00 0.00 61.69 61.20 1nvl s THR 17 Cb 0.19 -1.54 0.03 0.00 0.01 0.00 0.00 72.50 71.19 1nvl s THR 17 CO 0.29 0.51 0.67 -1.59 -0.69 0.00 0.00 174.62 173.81 1nvl s LYS 18 N -0.16 3.25 0.99 4.92 -2.85 -1.26 -5.02 119.74 119.61 1nvl s LYS 18 Ca -0.02 -0.48 -0.15 0.00 -1.00 0.00 0.00 55.97 54.32 1nvl s LYS 18 Cb -0.12 -3.99 0.24 0.00 -2.06 0.00 0.00 37.83 31.89 1nvl s LYS 18 CO 0.02 -1.11 0.53 -2.30 0.10 0.00 0.00 175.35 172.60 1nvl n PRO 19 N 6.36 -2.93 -2.01 1.78 -0.02 -1.26 -4.96 135.00 131.97 1nvl n PRO 19 Ca -0.02 -0.90 -0.33 0.00 -2.02 0.00 0.00 63.50 60.23 1nvl n PRO 19 Cb 0.47 -1.34 0.02 0.00 -0.02 0.00 0.00 33.50 32.63 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 2.70 0.15 3.55 0.00 -1.26 -4.69 121.76 120.15 1nvl s ALA 20 Ca 0.41 0.42 -0.31 0.00 0.00 0.00 0.00 51.96 52.48 1nvl s ALA 20 Cb -0.07 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 1nvl s ALA 20 CO 0.35 -0.87 1.55 -0.44 0.00 0.00 0.00 175.76 176.34 1nvl h ASP 21 N 0.39 -1.99 -0.74 0.00 5.19 -1.97 0.16 116.42 117.45 1nvl h ASP 21 Ca -0.47 0.29 0.07 0.00 -0.62 0.00 0.00 57.03 56.30 1nvl h ASP 21 Cb 1.22 0.86 -0.10 0.00 0.18 0.00 0.00 39.33 41.50 1nvl h ASP 21 CO 0.57 -0.30 -0.55 -0.33 -3.12 0.00 0.00 179.24 175.50 1nvl h GLU 22 N -0.16 -0.14 -0.47 3.56 3.07 -1.98 0.65 114.58 119.11 1nvl h GLU 22 Ca 0.13 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.96 1nvl h GLU 22 Cb 0.50 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 1nvl h GLU 22 CO -0.80 -0.09 0.13 0.93 -1.40 0.00 0.00 179.01 177.77 1nvl h GLU 23 N -0.15 0.70 0.69 2.33 5.08 -1.77 -1.14 114.58 120.33 1nvl h GLU 23 Ca 0.12 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1nvl h GLU 23 Cb 0.46 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1nvl h GLU 23 CO -0.77 0.63 -0.44 0.52 -1.00 0.00 0.00 179.01 177.95 1nvl h MET 24 N 0.69 -1.04 -0.95 2.33 2.86 0.12 -1.91 114.93 117.03 1nvl h MET 24 Ca 0.16 0.07 0.19 0.00 -2.06 0.00 0.00 59.70 58.05 1nvl h MET 24 Cb 0.24 0.24 -0.18 0.00 0.06 0.00 0.00 31.60 31.95 1nvl h MET 24 CO -0.01 -0.69 -0.25 -0.07 1.06 0.00 0.00 176.91 176.95 1nvl h LEU 25 N -1.08 -0.94 0.44 1.22 3.38 0.55 0.41 115.31 119.30 1nvl h LEU 25 Ca -0.09 0.29 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1nvl h LEU 25 Cb 0.87 0.60 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1nvl h LEU 25 CO 0.08 -0.31 -0.21 0.15 0.09 0.00 0.00 178.44 178.23 1nvl h PHE 26 N -0.00 -0.55 -0.30 1.13 3.04 -0.94 0.17 116.94 119.48 1nvl h PHE 26 Ca 0.44 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.44 1nvl h PHE 26 Cb 0.68 0.18 -0.06 0.00 2.56 0.00 0.00 35.95 39.32 1nvl h PHE 26 CO -0.75 -0.28 -0.08 0.82 -2.02 0.00 0.00 178.31 176.00 1nvl h ILE 27 N -0.71 0.69 -0.03 1.41 1.08 0.06 0.92 117.51 120.93 1nvl h ILE 27 Ca -0.06 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1nvl h ILE 27 Cb 0.52 0.69 -0.05 0.00 -3.07 0.00 0.00 36.82 34.91 1nvl h ILE 27 CO 0.10 0.00 -0.49 0.22 -0.69 0.00 0.00 178.15 177.29 1nvl h TYR 28 N -0.01 -1.45 -0.12 1.37 5.03 -0.04 0.39 116.97 122.15 1nvl h TYR 28 Ca 0.14 0.05 0.05 0.00 2.58 0.00 0.00 58.73 61.55 1nvl h TYR 28 Cb 0.23 0.64 -0.06 0.00 1.55 0.00 0.00 36.73 39.08 1nvl h TYR 28 CO -0.29 -0.52 -0.34 0.66 -1.32 0.00 0.00 178.16 176.35 1nvl h SER 29 N -0.59 -1.06 -0.12 -2.11 4.64 -0.35 0.24 113.55 114.19 1nvl h SER 29 Ca 0.02 0.15 0.03 0.00 -0.47 0.00 0.00 61.79 61.51 1nvl h SER 29 Cb 0.65 0.45 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1nvl h SER 29 CO -0.34 -0.38 -0.04 0.45 -0.87 0.00 0.00 176.83 175.65 1nvl h HIS 30 N -0.42 -0.08 0.54 4.77 3.86 -0.52 0.31 115.15 123.61 1nvl h HIS 30 Ca 0.09 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1nvl h HIS 30 Cb 0.57 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 1nvl h HIS 30 CO -0.42 -0.06 -0.44 -0.92 0.86 0.00 0.00 177.93 176.95 1nvl h TYR 31 N -0.01 -1.19 -0.47 2.45 3.20 0.24 0.12 116.97 121.31 1nvl h TYR 31 Ca 0.06 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.02 1nvl h TYR 31 Cb 0.10 0.45 -0.10 0.00 1.54 0.00 0.00 36.73 38.72 1nvl h TYR 31 CO -0.17 -0.62 -0.31 0.87 -1.64 0.00 0.00 178.16 176.29 1nvl h LYS 32 N -0.96 -0.19 0.00 1.82 1.79 -0.35 -1.62 116.57 117.06 1nvl h LYS 32 Ca -0.06 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1nvl h LYS 32 Cb 0.82 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 1nvl h LYS 32 CO -0.01 -0.13 -0.11 1.96 -1.08 0.00 0.00 179.45 180.09 1nvl h GLN 33 N -0.20 -0.13 0.00 3.15 1.08 0.01 0.58 115.11 119.59 1nvl h GLN 33 Ca 0.20 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1nvl h GLN 33 Cb 0.53 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1nvl h GLN 33 CO -0.58 -0.09 0.21 0.00 -0.95 0.00 0.00 178.83 177.42 1nvl h ALA 34 N -1.29 1.17 0.00 3.87 0.00 -0.51 0.73 119.26 123.23 1nvl h ALA 34 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 1nvl h ALA 34 Cb 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1nvl h ALA 34 CO -0.07 -0.17 -2.26 0.25 0.00 0.00 0.00 179.25 177.00 1nvl n THR 35 N -2.43 1.24 -0.13 0.00 -2.24 -0.63 -4.85 114.28 105.23 1nvl n THR 35 Ca -0.02 -0.34 -0.27 0.00 -2.27 0.00 0.00 64.05 61.15 1nvl n THR 35 Cb 0.24 -1.73 -0.10 0.00 -2.10 0.00 0.00 70.33 66.65 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 -3.89 1.53 0.00 2.28 0.31 0.17 -5.01 118.33 113.71 1nvl n VAL 36 Ca -0.44 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.60 1nvl n VAL 36 Cb 0.83 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 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 1.29 1.51 3.89 2.92 0.00 0.24 -5.03 105.19 110.02 1nvl n GLY 37 Ca -0.48 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.12 1.61 1.11 -1.26 -4.19 116.67 115.32 1nvl s ASP 38 Ca 0.00 1.02 -0.13 0.00 0.18 0.00 0.00 52.55 53.61 1nvl s ASP 38 Cb 0.00 -1.88 -0.05 0.00 1.07 0.00 0.00 42.92 42.07 1nvl s ASP 38 CO 0.00 -1.25 0.31 -0.51 1.18 0.00 0.00 175.17 174.90 1nvl s ILE 39 N -3.25 5.27 -0.03 0.77 2.07 -1.26 -4.97 121.20 119.79 1nvl s ILE 39 Ca 0.57 0.59 0.05 0.00 -1.41 0.00 0.00 60.65 60.45 1nvl s ILE 39 Cb -0.11 -3.63 0.08 0.00 0.13 0.00 0.00 42.46 38.93 1nvl s ILE 39 CO 0.50 0.45 1.04 -0.46 -1.91 0.00 0.00 174.94 174.56 1nvl n ASN 40 N 3.05 0.62 -4.16 4.50 6.94 -1.26 -5.03 115.26 119.92 1nvl n ASN 40 Ca -0.13 -2.29 -0.33 0.00 -0.02 0.00 0.00 54.58 51.81 1nvl n ASN 40 Cb 0.52 -0.26 -0.16 0.00 -2.36 0.00 0.00 39.78 37.52 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 -0.75 2.23 0.11 5.53 -4.23 -1.26 -5.08 115.64 112.19 1nvl s THR 41 Ca 0.09 -0.89 -0.30 0.00 -1.18 0.00 0.00 61.69 59.40 1nvl s THR 41 Cb 0.08 -1.93 -0.17 0.00 1.34 0.00 0.00 72.50 71.82 1nvl s THR 41 CO 0.01 0.53 0.67 -0.62 -0.54 0.00 0.00 174.62 174.67 1nvl n GLU 42 N 4.44 0.00 -1.62 3.99 1.02 -1.26 -4.81 120.64 122.40 1nvl n GLU 42 Ca -0.20 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.49 1nvl n GLU 42 Cb 0.51 -1.10 -0.04 0.00 -0.02 0.00 0.00 31.44 30.79 1nvl n GLU 42 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1nvl n ARG 43 N 1.10 2.20 -0.90 3.49 0.63 -1.26 -4.95 116.66 116.96 1nvl n ARG 43 Ca 0.17 0.73 -0.37 0.00 -0.92 0.00 0.00 57.85 57.46 1nvl n ARG 43 Cb 0.17 -2.96 0.07 0.00 0.45 0.00 0.00 32.46 30.20 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 7.87 -0.46 0.05 -0.14 -0.02 -1.26 -5.07 135.00 135.97 1nvl n PRO 44 Ca 0.27 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1nvl n PRO 44 Cb 0.38 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 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 3.01 -0.08 0.04 -1.23 0.00 -1.26 -4.87 105.19 100.79 1nvl n GLY 45 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.02 -6.17 1.61 2.86 -2.03 -3.42 114.93 107.77 1nvl h MET 46 Ca 0.00 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.05 1nvl h MET 46 Cb 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.59 1nvl h MET 46 CO 0.00 -0.01 -0.56 -0.51 1.06 0.00 0.00 176.91 176.88 1nvl s LEU 47 N -6.12 3.88 0.00 1.22 1.43 -1.26 -5.06 118.68 112.77 1nvl s LEU 47 Ca -0.01 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1nvl s LEU 47 Cb 0.01 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1nvl s LEU 47 CO 0.06 0.10 0.00 -0.67 0.23 0.00 0.00 176.35 176.07 1nvl n ASP 48 N -0.11 0.00 -0.27 2.29 -0.08 -1.26 -3.50 116.55 113.63 1nvl n ASP 48 Ca -0.08 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.23 1nvl n ASP 48 Cb 0.54 -0.16 0.08 0.00 2.34 0.00 0.00 41.12 43.92 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 -2.25 0.20 1.06 -0.67 -1.74 -1.26 -0.04 117.46 112.75 1nvl n PHE 49 Ca 0.00 0.89 0.12 0.00 -0.56 0.00 0.00 57.45 57.90 1nvl n PHE 49 Cb 0.00 -0.88 0.09 0.00 1.52 0.00 0.00 39.48 40.21 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 -5.16 1.34 -0.02 3.97 4.81 -1.26 -4.11 118.16 117.74 1nvl n LYS 50 Ca 0.11 -1.06 -0.04 0.00 -0.87 0.00 0.00 58.31 56.44 1nvl n LYS 50 Cb 0.34 -1.48 -0.01 0.00 0.02 0.00 0.00 35.03 33.90 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 1.39 -0.29 0.12 3.14 0.00 0.94 -4.82 105.19 105.66 1nvl n GLY 51 Ca 0.11 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.43 0.25 -0.71 1.61 1.57 -1.01 -3.27 116.57 114.59 1nvl h LYS 52 Ca 0.00 -0.43 0.14 0.00 -1.87 0.00 0.00 60.65 58.48 1nvl h LYS 52 Cb 0.43 0.16 -0.13 0.00 0.08 0.00 0.00 32.23 32.77 1nvl h LYS 52 CO 0.00 1.21 -0.24 0.00 -0.57 0.00 0.00 179.45 179.85 1nvl h ALA 53 N -0.02 0.32 0.00 3.86 0.00 -1.53 1.22 119.26 123.11 1nvl h ALA 53 Ca -0.25 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1nvl h ALA 53 Cb 1.70 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 20.13 1nvl h ALA 53 CO 0.08 -0.50 -0.19 1.57 0.00 0.00 0.00 179.25 180.21 1nvl h LYS 54 N -0.05 0.00 0.00 0.00 2.10 -1.75 0.25 116.57 117.12 1nvl h LYS 54 Ca 0.32 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.97 1nvl h LYS 54 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1nvl h LYS 54 CO -0.75 0.19 -0.00 2.35 -2.00 0.00 0.00 179.45 179.25 1nvl h TRP 55 N 0.00 -0.00 -0.53 0.07 7.01 0.11 -3.05 115.95 119.56 1nvl h TRP 55 Ca -0.00 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.05 1nvl h TRP 55 Cb 0.41 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.41 1nvl h TRP 55 CO 0.00 -0.00 -0.31 -0.25 -2.79 0.00 0.00 178.44 175.09 1nvl n ASP 56 N -2.00 -0.56 -0.51 2.65 9.92 0.18 0.89 116.55 127.12 1nvl n ASP 56 Ca -0.00 1.13 0.41 0.00 -0.53 0.00 0.00 54.79 55.80 1nvl n ASP 56 Cb 0.00 -0.22 0.71 0.00 -0.64 0.00 0.00 41.12 40.98 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 0.07 3.13 0.00 2.24 0.00 -0.59 0.39 119.26 124.50 1nvl h ALA 57 Ca 0.08 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1nvl h ALA 57 Cb 0.22 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1nvl h ALA 57 CO -0.50 -1.69 -1.79 1.87 0.00 0.00 0.00 179.25 177.14 1nvl n TRP 58 N -4.39 0.42 -0.03 0.00 -0.00 0.26 -4.07 117.44 109.63 1nvl n TRP 58 Ca 0.38 0.14 -0.17 0.00 -0.00 0.00 0.00 57.50 57.84 1nvl n TRP 58 Cb 1.57 -0.86 -0.07 0.00 -0.00 0.00 0.00 31.31 31.96 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 0.89 0.00 5.87 -1.24 0.26 -2.57 115.58 118.78 1nvl h ASN 59 Ca -0.18 -0.62 0.00 0.00 0.71 0.00 0.00 56.30 56.21 1nvl h ASN 59 Cb 1.48 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.26 1nvl h ASN 59 CO 0.02 1.36 0.00 -0.62 -1.29 0.00 0.00 177.43 176.91 1nvl n GLU 60 N -4.01 0.14 -0.11 6.67 4.71 0.86 0.06 120.64 128.97 1nvl n GLU 60 Ca -0.07 0.64 0.07 0.00 -0.01 0.00 0.00 57.16 57.79 1nvl n GLU 60 Cb 0.70 -1.97 0.13 0.00 -1.01 0.00 0.00 31.44 29.29 1nvl n GLU 60 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1nvl n LEU 61 N -2.27 2.69 -4.67 -4.62 4.77 -0.99 -4.93 117.00 106.98 1nvl n LEU 61 Ca -0.01 -1.45 -0.42 0.00 -0.03 0.00 0.00 56.01 54.10 1nvl n LEU 61 Cb 0.04 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1nvl n LEU 61 CO 0.10 0.59 1.43 -0.75 -1.33 0.00 0.00 177.39 177.42 1nvl s LYS 62 N -1.14 4.17 0.00 3.23 2.20 0.11 -0.81 119.74 127.51 1nvl s LYS 62 Ca 0.24 2.39 0.00 0.00 -0.36 0.00 0.00 55.97 58.23 1nvl s LYS 62 Cb 0.14 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1nvl s LYS 62 CO 0.20 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 174.76 1nvl n GLY 63 N 4.21 1.79 3.91 5.54 0.00 -1.26 -5.05 105.19 114.31 1nvl n GLY 63 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.20 3.38 -0.06 2.61 2.01 0.01 -5.06 115.64 116.34 1nvl s THR 64 Ca 0.00 0.12 -0.20 0.00 0.31 0.00 0.00 61.69 61.93 1nvl s THR 64 Cb 0.00 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 1nvl s THR 64 CO 0.00 -0.45 0.56 -0.44 -0.69 0.00 0.00 174.62 173.60 1nvl s SER 65 N -4.36 6.86 0.18 3.53 0.01 -1.26 -4.89 113.70 113.77 1nvl s SER 65 Ca 0.56 1.03 -0.26 0.00 1.31 0.00 0.00 55.95 58.59 1nvl s SER 65 Cb -0.11 -2.34 0.04 0.00 0.21 0.00 0.00 66.02 63.82 1nvl s SER 65 CO 0.47 0.04 1.55 0.11 0.41 0.00 0.00 173.24 175.82 1nvl h LYS 66 N 6.16 -0.03 -0.82 12.44 1.57 -1.91 0.99 116.57 134.97 1nvl h LYS 66 Ca -0.43 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.53 1nvl h LYS 66 Cb 1.19 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.36 1nvl h LYS 66 CO 0.72 -0.02 -0.12 0.39 -0.57 0.00 0.00 179.45 179.85 1nvl n GLU 67 N -5.34 -0.07 -0.09 3.15 4.71 -1.26 0.70 120.64 122.44 1nvl n GLU 67 Ca 0.04 1.26 -0.06 0.00 -0.01 0.00 0.00 57.16 58.39 1nvl n GLU 67 Cb 0.32 -1.92 0.13 0.00 -1.01 0.00 0.00 31.44 28.95 1nvl n GLU 67 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1nvl h ASP 68 N 0.00 0.75 0.08 1.62 5.19 -1.21 0.82 116.42 123.67 1nvl h ASP 68 Ca 0.43 -0.23 -0.16 0.00 -0.62 0.00 0.00 57.03 56.45 1nvl h ASP 68 Cb 0.75 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1nvl h ASP 68 CO -0.82 0.90 -0.55 0.00 -3.12 0.00 0.00 179.24 175.64 1nvl h ALA 69 N 1.17 0.73 0.53 3.45 0.00 0.61 0.60 119.26 126.35 1nvl h ALA 69 Ca 0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1nvl h ALA 69 Cb 0.60 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1nvl h ALA 69 CO 0.04 0.69 -0.25 0.52 0.00 0.00 0.00 179.25 180.25 1nvl h MET 70 N 0.39 -0.69 0.00 0.00 2.86 0.12 0.70 114.93 118.31 1nvl h MET 70 Ca 0.01 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1nvl h MET 70 Cb 1.09 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1nvl h MET 70 CO 0.10 -0.38 0.00 1.63 1.06 0.00 0.00 176.91 179.32 1nvl n LYS 71 N -5.32 0.00 -0.34 1.72 5.02 0.19 -0.81 118.16 118.63 1nvl n LYS 71 Ca -0.11 0.73 0.18 0.00 -2.02 0.00 0.00 58.31 57.09 1nvl n LYS 71 Cb 0.32 -1.39 0.41 0.00 -0.02 0.00 0.00 35.03 34.35 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 -1.47 1.92 0.80 7.82 0.00 -0.90 0.32 119.26 127.75 1nvl h ALA 72 Ca 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1nvl h ALA 72 Cb 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1nvl h ALA 72 CO 0.00 -0.35 -0.39 -0.92 0.00 0.00 0.00 179.25 177.60 1nvl h TYR 73 N 0.55 -1.00 -0.86 0.00 3.20 0.12 0.23 116.97 119.22 1nvl h TYR 73 Ca 0.61 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.47 1nvl h TYR 73 Cb 1.25 0.33 -0.04 0.00 1.54 0.00 0.00 36.73 39.81 1nvl h TYR 73 CO -0.00 -0.61 0.57 0.82 -1.64 0.00 0.00 178.16 177.29 1nvl h ILE 74 N -1.13 1.22 0.00 1.81 2.04 -0.12 0.29 117.51 121.61 1nvl h ILE 74 Ca -0.11 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 1nvl h ILE 74 Cb 0.84 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1nvl h ILE 74 CO 0.18 0.21 -0.23 0.44 0.00 0.00 0.00 178.15 178.75 1nvl h ASP 75 N 1.16 0.00 0.05 1.72 3.32 -0.20 0.30 116.42 122.77 1nvl h ASP 75 Ca 0.32 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.14 1nvl h ASP 75 Cb -0.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1nvl h ASP 75 CO -0.07 0.23 -1.19 0.50 -1.72 0.00 0.00 179.24 177.00 1nvl h LYS 76 N 0.00 0.10 -0.73 3.56 1.63 -0.10 -3.02 116.57 118.00 1nvl h LYS 76 Ca -0.00 -0.17 0.16 0.00 -0.85 0.00 0.00 60.65 59.78 1nvl h LYS 76 Cb 0.48 0.06 -0.13 0.00 -0.60 0.00 0.00 32.23 32.04 1nvl h LYS 76 CO 0.03 1.08 -0.10 0.28 -3.45 0.00 0.00 179.45 177.30 1nvl h VAL 77 N -0.69 0.31 -0.39 2.00 2.07 -0.08 0.16 116.25 119.63 1nvl h VAL 77 Ca -0.29 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.25 1nvl h VAL 77 Cb 1.47 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1nvl h VAL 77 CO -0.07 0.01 -0.32 -0.08 0.02 0.00 0.00 177.57 177.13 1nvl h GLU 78 N 0.04 -0.11 -0.93 1.57 4.22 -0.44 -0.26 114.58 118.68 1nvl h GLU 78 Ca 0.37 0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.92 1nvl h GLU 78 Cb 0.62 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 1nvl h GLU 78 CO -0.70 -0.08 0.60 0.93 -2.18 0.00 0.00 179.01 177.58 1nvl h GLU 79 N -0.12 0.90 -0.47 1.92 4.39 -0.64 -2.51 114.58 118.04 1nvl h GLU 79 Ca 0.06 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1nvl h GLU 79 Cb 0.29 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1nvl h GLU 79 CO -0.43 0.60 0.31 -0.07 -1.16 0.00 0.00 179.01 178.26 1nvl h LEU 80 N 0.93 0.55 -0.25 1.33 3.38 0.38 -0.69 115.31 120.93 1nvl h LEU 80 Ca 0.44 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.45 1nvl h LEU 80 Cb 0.42 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1nvl h LEU 80 CO -0.20 0.39 -0.14 0.50 0.09 0.00 0.00 178.44 179.09 1nvl h LYS 81 N 0.64 -0.11 -0.17 1.13 3.64 -0.65 0.20 116.57 121.26 1nvl h LYS 81 Ca 0.17 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 1nvl h LYS 81 Cb -0.07 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.71 1nvl h LYS 81 CO -0.04 -0.07 -0.29 0.87 -2.27 0.00 0.00 179.45 177.65 1nvl h LYS 82 N -0.11 -0.33 0.15 1.90 1.57 -1.40 -2.84 116.57 115.51 1nvl h LYS 82 Ca 0.14 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1nvl h LYS 82 Cb 0.32 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1nvl h LYS 82 CO -0.33 -0.22 -0.07 0.87 -0.57 0.00 0.00 179.45 179.13 1nvl h LYS 83 N -0.34 -0.19 0.03 3.15 1.57 -0.81 -3.41 116.57 116.57 1nvl h LYS 83 Ca 0.11 0.01 -0.30 0.00 -1.87 0.00 0.00 60.65 58.60 1nvl h LYS 83 Cb 0.51 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1nvl h LYS 83 CO -0.36 0.16 -1.70 1.88 -0.57 0.00 0.00 179.45 178.86 1nvl h TYR 84 N -0.57 0.10 -0.28 -1.35 0.05 -0.67 -3.51 116.97 110.74 1nvl h TYR 84 Ca -0.02 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.68 1nvl h TYR 84 Cb 0.44 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.17 1nvl h TYR 84 CO 0.04 1.15 0.00 0.41 -1.05 0.00 0.00 178.16 178.71 1nvl n GLY 85 N 1.62 -0.17 0.00 3.88 0.00 -1.07 -4.55 105.19 104.90 1nvl n GLY 85 Ca -0.18 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83