#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 3.07 0.00 1.43 0.74 -1.26 -4.98 119.66 118.67 1nvl s GLN 2 Ca 0.00 -3.26 0.00 0.00 0.05 0.00 0.00 55.36 52.15 1nvl s GLN 2 Cb 0.00 -3.84 0.00 0.00 1.10 0.00 0.00 33.01 30.27 1nvl s GLN 2 CO 0.00 -1.26 0.00 0.00 -0.55 0.00 0.00 175.29 173.48 1nvl n ALA 3 N 2.31 0.00 -0.03 1.58 0.00 -1.26 0.25 120.51 123.36 1nvl n ALA 3 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.67 1nvl n ALA 3 Cb 0.37 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.18 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 0.61 0.39 0.00 4.39 -1.98 0.17 114.58 118.16 1nvl h GLU 4 Ca 0.00 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1nvl h GLU 4 Cb 0.00 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1nvl h GLU 4 CO 0.00 0.45 -0.19 0.35 -1.16 0.00 0.00 179.01 178.46 1nvl h PHE 5 N 0.62 -0.48 -0.43 4.33 3.57 -0.57 0.26 116.94 124.23 1nvl h PHE 5 Ca 0.16 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.74 1nvl h PHE 5 Cb 0.02 0.16 -0.09 0.00 2.79 0.00 0.00 35.95 38.82 1nvl h PHE 5 CO 0.00 -0.16 -0.24 -0.44 -2.23 0.00 0.00 178.31 175.24 1nvl h ASP 6 N -0.97 -0.82 -0.54 0.41 5.19 -1.57 0.28 116.42 118.40 1nvl h ASP 6 Ca -0.05 0.17 0.02 0.00 -0.62 0.00 0.00 57.03 56.55 1nvl h ASP 6 Cb 0.54 0.42 -0.03 0.00 0.18 0.00 0.00 39.33 40.44 1nvl h ASP 6 CO 0.09 -0.26 0.34 0.50 -3.12 0.00 0.00 179.24 176.79 1nvl h LYS 7 N -0.16 0.67 -0.34 3.56 3.64 -0.70 0.63 116.57 123.86 1nvl h LYS 7 Ca 0.20 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1nvl h LYS 7 Cb 0.48 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 1nvl h LYS 7 CO -0.52 0.44 0.06 0.00 -2.27 0.00 0.00 179.45 177.16 1nvl h ALA 8 N 1.22 0.36 0.08 5.00 0.00 0.13 -0.18 119.26 125.87 1nvl h ALA 8 Ca 0.21 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1nvl h ALA 8 Cb -0.02 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1nvl h ALA 8 CO -0.07 -0.34 -0.31 0.00 0.00 0.00 0.00 179.25 178.52 1nvl h ALA 9 N 1.26 -0.50 -0.63 0.00 0.00 0.11 0.42 119.26 119.91 1nvl h ALA 9 Ca 0.16 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1nvl h ALA 9 Cb 0.19 0.53 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 1nvl h ALA 9 CO -0.22 -0.84 -0.44 0.93 0.00 0.00 0.00 179.25 178.67 1nvl h GLU 10 N -0.51 -0.19 -0.32 0.00 5.08 -0.06 0.24 114.58 118.82 1nvl h GLU 10 Ca 0.04 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1nvl h GLU 10 Cb 0.56 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1nvl h GLU 10 CO -0.21 -0.13 0.07 0.93 -1.00 0.00 0.00 179.01 178.67 1nvl h GLU 11 N -0.20 0.18 -0.26 2.33 5.08 -0.43 0.55 114.58 121.83 1nvl h GLU 11 Ca 0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1nvl h GLU 11 Cb 0.56 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1nvl h GLU 11 CO -0.72 0.12 0.17 -0.24 -1.00 0.00 0.00 179.01 177.34 1nvl h VAL 12 N 0.19 1.08 -0.10 3.13 3.04 0.13 0.11 116.25 123.82 1nvl h VAL 12 Ca 0.15 -0.16 0.03 0.00 -1.01 0.00 0.00 66.70 65.71 1nvl h VAL 12 Cb 0.15 0.71 -0.00 0.00 -2.01 0.00 0.00 31.29 30.14 1nvl h VAL 12 CO -0.19 0.07 0.10 0.11 -1.01 0.00 0.00 177.57 176.66 1nvl h LYS 13 N 0.35 0.00 0.00 4.17 1.57 -0.06 0.16 116.57 122.76 1nvl h LYS 13 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1nvl h LYS 13 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1nvl h LYS 13 CO -0.02 0.00 -0.40 0.72 -0.57 0.00 0.00 179.45 179.18 1nvl n HIS 14 N -4.01 0.54 -1.49 -1.35 8.25 0.23 -4.87 115.22 112.53 1nvl n HIS 14 Ca -0.00 0.16 -0.56 0.00 -0.26 0.00 0.00 57.72 57.05 1nvl n HIS 14 Cb 0.21 -0.67 -0.09 0.00 1.12 0.00 0.00 29.99 30.56 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 -2.03 1.79 -0.11 2.41 4.77 0.55 -4.76 117.00 119.63 1nvl n LEU 15 Ca 0.04 0.72 0.26 0.00 -0.03 0.00 0.00 56.01 57.00 1nvl n LEU 15 Cb 0.42 -1.11 0.71 0.00 -2.33 0.00 0.00 43.42 41.11 1nvl n LEU 15 CO 0.34 -0.66 1.23 0.07 -1.33 0.00 0.00 177.39 177.04 1nvl h LYS 16 N 9.60 0.00 -4.71 3.23 2.10 -1.89 -3.40 116.57 121.50 1nvl h LYS 16 Ca -0.29 0.00 -0.69 0.00 -2.00 0.00 0.00 60.65 57.67 1nvl h LYS 16 Cb 1.35 0.00 -0.31 0.00 -0.90 0.00 0.00 32.23 32.37 1nvl h LYS 16 CO 1.02 0.00 -0.65 0.99 -2.00 0.00 0.00 179.45 178.81 1nvl s THR 17 N -4.98 3.32 -0.96 0.07 2.01 -1.26 -5.05 115.64 108.79 1nvl s THR 17 Ca -0.05 -1.35 -0.28 0.00 0.31 0.00 0.00 61.69 60.32 1nvl s THR 17 Cb 0.21 -2.93 -0.22 0.00 0.01 0.00 0.00 72.50 69.57 1nvl s THR 17 CO 0.75 -0.18 2.54 2.29 -0.69 0.00 0.00 174.62 179.33 1nvl n LYS 18 N 4.69 0.00 -1.38 4.92 0.00 -1.26 -4.89 118.16 120.24 1nvl n LYS 18 Ca -0.12 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.87 1nvl n LYS 18 Cb 0.44 -1.40 0.09 0.00 -0.00 0.00 0.00 35.03 34.15 1nvl n LYS 18 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 1nvl s PRO 19 N 8.47 2.23 0.28 -1.58 0.02 -1.26 -4.95 135.00 138.21 1nvl s PRO 19 Ca 1.30 1.43 -0.29 0.00 0.02 0.00 0.00 61.00 63.45 1nvl s PRO 19 Cb -1.18 -1.88 -0.14 0.00 0.02 0.00 0.00 34.50 31.33 1nvl s PRO 19 CO 0.47 -1.70 1.16 0.00 -0.33 0.00 0.00 177.00 176.61 1nvl n ALA 20 N -3.08 0.27 -0.41 -1.55 0.00 -1.26 -4.55 120.51 109.93 1nvl n ALA 20 Ca 0.11 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.86 1nvl n ALA 20 Cb 0.52 -2.12 -0.07 0.00 0.00 0.00 0.00 19.45 17.79 1nvl n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nvl n ASP 21 N 1.40 -0.96 -0.32 0.00 9.92 -1.26 0.04 116.55 125.37 1nvl n ASP 21 Ca 0.10 1.77 0.21 0.00 -0.53 0.00 0.00 54.79 56.33 1nvl n ASP 21 Cb 0.32 -0.27 0.42 0.00 -0.64 0.00 0.00 41.12 40.94 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 0.21 0.02 -1.24 5.08 -1.98 0.71 114.58 117.38 1nvl h GLU 22 Ca 0.20 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1nvl h GLU 22 Cb 0.45 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1nvl h GLU 22 CO -0.95 0.14 -0.01 0.93 -1.00 0.00 0.00 179.01 178.12 1nvl h GLU 23 N 0.22 -0.03 -0.25 2.33 5.08 -0.71 0.80 114.58 122.02 1nvl h GLU 23 Ca 0.68 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 59.11 1nvl h GLU 23 Cb 1.54 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.72 1nvl h GLU 23 CO -0.67 0.28 -0.32 0.52 -1.00 0.00 0.00 179.01 177.81 1nvl h MET 24 N -0.33 -0.32 -0.55 2.33 2.86 0.11 0.11 114.93 119.14 1nvl h MET 24 Ca -0.00 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.77 1nvl h MET 24 Cb 0.32 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 31.94 1nvl h MET 24 CO 0.00 -0.21 -0.18 -0.07 1.06 0.00 0.00 176.91 177.51 1nvl h LEU 25 N -0.33 -0.64 0.84 1.22 3.38 0.48 0.58 115.31 120.84 1nvl h LEU 25 Ca 0.13 0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 1nvl h LEU 25 Cb 0.54 0.39 0.01 0.00 0.09 0.00 0.00 40.66 41.69 1nvl h LEU 25 CO -0.44 -0.22 -0.40 0.15 0.09 0.00 0.00 178.44 177.62 1nvl h PHE 26 N -0.05 -1.05 -0.94 1.13 3.04 0.17 0.12 116.94 119.37 1nvl h PHE 26 Ca 0.26 -0.02 0.20 0.00 3.98 0.00 0.00 57.97 62.39 1nvl h PHE 26 Cb 0.45 0.35 -0.11 0.00 2.56 0.00 0.00 35.95 39.19 1nvl h PHE 26 CO -0.49 -0.65 0.51 0.82 -2.02 0.00 0.00 178.31 176.48 1nvl h ILE 27 N -1.13 0.61 0.15 1.41 1.08 0.05 0.13 117.51 119.81 1nvl h ILE 27 Ca -0.12 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1nvl h ILE 27 Cb 0.87 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 1nvl h ILE 27 CO 0.19 0.11 -0.07 0.22 -0.69 0.00 0.00 178.15 177.91 1nvl h TYR 28 N 0.59 -0.19 -0.50 1.37 3.20 0.37 0.27 116.97 122.09 1nvl h TYR 28 Ca 0.56 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.53 1nvl h TYR 28 Cb 0.96 0.06 -0.10 0.00 1.54 0.00 0.00 36.73 39.19 1nvl h TYR 28 CO -0.06 0.19 -0.15 0.66 -1.64 0.00 0.00 178.16 177.16 1nvl h SER 29 N -0.96 -0.53 0.42 -2.11 4.64 -0.37 0.35 113.55 114.99 1nvl h SER 29 Ca -0.02 0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 1nvl h SER 29 Cb 0.46 0.34 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1nvl h SER 29 CO 0.03 -0.19 -0.20 0.45 -0.87 0.00 0.00 176.83 176.06 1nvl h HIS 30 N -0.03 -0.52 -1.00 4.77 3.86 -0.85 0.26 115.15 121.64 1nvl h HIS 30 Ca 0.24 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.61 1nvl h HIS 30 Cb 0.39 0.17 -0.10 0.00 1.06 0.00 0.00 27.41 28.94 1nvl h HIS 30 CO -0.44 -0.20 0.62 -0.92 0.86 0.00 0.00 177.93 177.85 1nvl h TYR 31 N -0.98 1.07 0.85 2.45 3.20 -0.15 0.56 116.97 123.97 1nvl h TYR 31 Ca -0.06 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 1nvl h TYR 31 Cb 0.55 -0.33 0.01 0.00 1.54 0.00 0.00 36.73 38.50 1nvl h TYR 31 CO 0.02 0.30 -0.41 0.87 -1.64 0.00 0.00 178.16 177.30 1nvl h LYS 32 N 0.82 -1.10 -0.19 1.82 1.79 -0.23 -0.64 116.57 118.83 1nvl h LYS 32 Ca 0.55 0.08 0.02 0.00 -2.18 0.00 0.00 60.65 59.12 1nvl h LYS 32 Cb 0.79 0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 31.65 1nvl h LYS 32 CO -0.33 -0.74 -0.23 0.37 -1.08 0.00 0.00 179.45 177.44 1nvl h GLN 33 N -1.26 -0.14 -1.32 3.15 -0.00 0.87 0.57 115.11 116.98 1nvl h GLN 33 Ca -0.12 0.01 0.39 0.00 -0.00 0.00 0.00 58.65 58.94 1nvl h GLN 33 Cb 0.88 0.03 -0.09 0.00 0.00 0.00 0.00 27.48 28.30 1nvl h GLN 33 CO 0.19 -0.09 0.90 0.00 0.00 0.00 0.00 178.83 179.83 1nvl h ALA 34 N -0.76 2.90 0.00 3.38 0.00 0.07 0.69 119.26 125.55 1nvl h ALA 34 Ca 0.03 0.03 -0.46 0.00 0.00 0.00 0.00 54.91 54.52 1nvl h ALA 34 Cb 0.23 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1nvl h ALA 34 CO -0.25 -1.39 -2.51 0.25 0.00 0.00 0.00 179.25 175.34 1nvl n THR 35 N -4.42 1.53 -0.10 0.00 -2.24 -0.25 -4.77 114.28 104.02 1nvl n THR 35 Ca 0.32 -0.39 -0.21 0.00 -2.27 0.00 0.00 64.05 61.50 1nvl n THR 35 Cb 1.35 -1.86 -0.11 0.00 -2.10 0.00 0.00 70.33 67.60 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 -0.95 0.92 0.00 2.28 2.07 0.26 -3.51 116.25 117.32 1nvl h VAL 36 Ca -0.69 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 64.67 1nvl h VAL 36 Cb 1.63 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 1nvl h VAL 36 CO -0.40 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.11 1nvl n GLY 37 N 1.44 0.53 2.76 2.17 0.00 0.24 -4.98 105.19 107.35 1nvl n GLY 37 Ca -0.31 -1.21 -0.25 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.69 -4.36 1.61 8.00 -1.26 -4.04 116.55 113.81 1nvl n ASP 38 Ca 0.00 -0.91 -0.32 0.00 0.71 0.00 0.00 54.79 54.27 1nvl n ASP 38 Cb 0.00 -0.82 -0.15 0.00 -0.02 0.00 0.00 41.12 40.13 1nvl n ASP 38 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1nvl s ILE 39 N -2.32 2.35 0.00 0.53 2.07 -1.26 -4.92 121.20 117.65 1nvl s ILE 39 Ca 0.57 -0.99 0.00 0.00 -1.41 0.00 0.00 60.65 58.81 1nvl s ILE 39 Cb -0.07 -1.85 0.00 0.00 0.13 0.00 0.00 42.46 40.67 1nvl s ILE 39 CO 0.45 0.58 0.46 -0.46 -1.91 0.00 0.00 174.94 174.06 1nvl n ASN 40 N 2.43 0.14 -3.81 4.50 0.23 -1.26 -5.08 115.26 112.41 1nvl n ASN 40 Ca -0.16 -1.06 -0.16 0.00 -0.53 0.00 0.00 54.58 52.66 1nvl n ASN 40 Cb 0.51 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.30 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 -0.03 0.00 -2.42 5.53 -2.24 -1.26 -5.12 114.28 108.73 1nvl n THR 41 Ca 0.00 -1.12 -0.25 0.00 -2.27 0.00 0.00 64.05 60.40 1nvl n THR 41 Cb 0.44 -1.03 0.14 0.00 -2.10 0.00 0.00 70.33 67.79 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 -4.30 1.24 -0.34 -0.78 -1.05 -1.26 -5.07 118.70 107.15 1nvl s GLU 42 Ca 0.47 -1.02 -0.14 0.00 -0.15 0.00 0.00 54.97 54.13 1nvl s GLU 42 Cb -0.03 -2.19 -0.02 0.00 -0.44 0.00 0.00 34.13 31.46 1nvl s GLU 42 CO 0.31 -1.82 0.30 0.50 0.95 0.00 0.00 175.26 175.50 1nvl s ARG 43 N -5.39 3.55 0.00 -4.83 3.52 -1.26 -5.03 118.95 109.51 1nvl s ARG 43 Ca 0.70 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 1nvl s ARG 43 Cb -0.04 -3.80 0.00 0.00 -1.56 0.00 0.00 34.95 29.55 1nvl s ARG 43 CO 0.47 -0.48 0.04 -2.30 -0.81 0.00 0.00 175.30 172.23 1nvl n PRO 44 N 5.25 0.00 0.00 5.12 -0.02 -1.26 -4.74 135.00 139.35 1nvl n PRO 44 Ca -0.11 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1nvl n PRO 44 Cb 0.50 -0.14 0.00 0.00 -0.02 0.00 0.00 33.50 33.84 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 -0.25 1.93 0.00 -1.23 0.00 -1.26 -4.85 105.19 99.52 1nvl n GLY 45 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.03 1.61 2.81 -1.26 -3.07 117.12 117.18 1nvl n MET 46 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1nvl n MET 46 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1nvl n MET 46 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1nvl h LEU 47 N 0.00 0.00 0.00 4.03 4.07 -1.98 -3.50 115.31 117.93 1nvl h LEU 47 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1nvl h LEU 47 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1nvl h LEU 47 CO 0.00 0.27 0.00 -0.90 -1.08 0.00 0.00 178.44 176.73 1nvl n ASP 48 N -3.16 0.00 -3.28 -0.43 5.75 -1.18 -5.11 116.55 109.15 1nvl n ASP 48 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 1nvl n ASP 48 Cb 0.07 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 0.00 -0.04 -0.17 2.11 -1.74 -1.26 -4.75 117.46 111.62 1nvl n PHE 49 Ca 0.00 0.00 0.15 0.00 -0.56 0.00 0.00 57.45 57.04 1nvl n PHE 49 Cb 0.00 0.00 0.26 0.00 1.52 0.00 0.00 39.48 41.26 1nvl n PHE 49 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1nvl n LYS 50 N 0.00 -0.02 -0.32 3.97 4.01 -1.26 -1.20 118.16 123.34 1nvl n LYS 50 Ca 0.00 0.53 0.05 0.00 -0.51 0.00 0.00 58.31 58.37 1nvl n LYS 50 Cb 0.00 -1.00 0.11 0.00 -0.51 0.00 0.00 35.03 33.63 1nvl n LYS 50 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1nvl n GLY 51 N -1.17 -1.51 0.10 0.72 0.00 -1.26 -1.09 105.19 100.98 1nvl n GLY 51 Ca 0.16 0.94 -0.16 0.00 0.00 0.00 0.00 46.02 46.96 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 0.20 -0.83 1.61 6.56 -1.45 -3.33 116.57 119.32 1nvl h LYS 52 Ca 0.41 -0.25 0.17 0.00 -1.06 0.00 0.00 60.65 59.91 1nvl h LYS 52 Cb 0.63 0.08 -0.16 0.00 -0.57 0.00 0.00 32.23 32.21 1nvl h LYS 52 CO -0.90 1.02 -0.22 0.00 -2.06 0.00 0.00 179.45 177.29 1nvl h ALA 53 N 0.19 0.52 0.00 3.86 0.00 -1.25 0.46 119.26 123.04 1nvl h ALA 53 Ca -0.05 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1nvl h ALA 53 Cb 1.17 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1nvl h ALA 53 CO 0.07 -0.42 0.00 0.36 0.00 0.00 0.00 179.25 179.27 1nvl n LYS 54 N -5.54 0.01 -0.10 0.00 2.85 -0.40 0.27 118.16 115.27 1nvl n LYS 54 Ca 0.12 0.33 -0.19 0.00 -1.05 0.00 0.00 58.31 57.52 1nvl n LYS 54 Cb 0.42 -1.53 -0.12 0.00 -0.65 0.00 0.00 35.03 33.15 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 -1.56 0.33 0.23 5.58 -0.00 0.14 -3.64 117.44 118.53 1nvl n TRP 55 Ca 0.02 0.07 -0.14 0.00 -0.00 0.00 0.00 57.50 57.46 1nvl n TRP 55 Cb 0.13 -1.04 -0.08 0.00 -0.00 0.00 0.00 31.31 30.32 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 -0.05 -0.51 -0.70 5.87 3.32 -0.83 0.63 116.42 124.15 1nvl h ASP 56 Ca -0.54 -0.09 0.20 0.00 0.02 0.00 0.00 57.03 56.62 1nvl h ASP 56 Cb 1.91 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 41.56 1nvl h ASP 56 CO -0.06 -0.17 0.69 0.00 -1.72 0.00 0.00 179.24 177.98 1nvl h ALA 57 N -0.51 2.50 0.08 3.45 0.00 -0.36 0.39 119.26 124.81 1nvl h ALA 57 Ca -0.06 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.49 1nvl h ALA 57 Cb 0.57 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1nvl h ALA 57 CO 0.10 -1.05 -1.88 1.87 0.00 0.00 0.00 179.25 178.29 1nvl n TRP 58 N -3.71 1.17 0.16 0.00 -0.00 -0.61 -3.68 117.44 110.78 1nvl n TRP 58 Ca 0.14 0.31 0.06 0.00 -0.00 0.00 0.00 57.50 58.01 1nvl n TRP 58 Cb 0.94 -1.17 0.54 0.00 -0.00 0.00 0.00 31.31 31.61 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 0.18 0.74 5.87 -1.24 0.38 0.35 115.58 121.90 1nvl h ASN 59 Ca -0.37 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 56.61 1nvl h ASN 59 Cb 2.03 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 41.03 1nvl h ASN 59 CO 0.09 0.16 -0.12 -0.08 -1.29 0.00 0.00 177.43 176.19 1nvl h GLU 60 N 0.21 0.00 -0.88 6.67 4.57 -0.50 -2.71 114.58 121.94 1nvl h GLU 60 Ca 0.05 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.69 1nvl h GLU 60 Cb 0.04 0.00 -0.43 0.00 -0.16 0.00 0.00 28.75 28.20 1nvl h GLU 60 CO -0.01 0.12 -0.82 1.28 -1.18 0.00 0.00 179.01 178.40 1nvl n LEU 61 N -3.36 4.68 0.19 1.64 4.77 0.11 -4.82 117.00 120.22 1nvl n LEU 61 Ca -0.00 -4.74 0.13 0.00 -0.03 0.00 0.00 56.01 51.36 1nvl n LEU 61 Cb 0.32 -0.31 0.26 0.00 -2.33 0.00 0.00 43.42 41.36 1nvl n LEU 61 CO 0.30 2.07 0.84 0.50 -1.33 0.00 0.00 177.39 179.77 1nvl h LYS 62 N 2.29 0.00 -0.63 3.23 3.64 -0.96 -3.28 116.57 120.85 1nvl h LYS 62 Ca 0.33 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 59.29 1nvl h LYS 62 Cb 1.41 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 32.81 1nvl h LYS 62 CO 0.74 0.00 -0.96 0.41 -2.27 0.00 0.00 179.45 177.38 1nvl n GLY 63 N 1.08 4.28 3.96 5.01 0.00 -1.26 -4.18 105.19 114.08 1nvl n GLY 63 Ca 0.04 -1.94 -0.22 0.00 0.00 0.00 0.00 46.02 43.90 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 -4.25 5.21 -0.27 2.61 2.01 -1.24 -5.08 115.64 114.63 1nvl s THR 64 Ca 0.40 -0.78 -0.13 0.00 0.31 0.00 0.00 61.69 61.48 1nvl s THR 64 Cb 0.37 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1nvl s THR 64 CO -0.00 -0.39 0.29 -0.94 -0.69 0.00 0.00 174.62 172.90 1nvl s SER 65 N -3.93 6.15 0.16 3.53 1.04 -1.26 -4.56 113.70 114.83 1nvl s SER 65 Ca 0.36 0.16 -0.16 0.00 0.48 0.00 0.00 55.95 56.79 1nvl s SER 65 Cb -0.09 -2.17 0.12 0.00 0.10 0.00 0.00 66.02 63.98 1nvl s SER 65 CO 0.31 -0.13 1.17 0.29 0.98 0.00 0.00 173.24 175.87 1nvl n LYS 66 N 5.21 -0.22 -0.21 4.02 5.02 -1.26 -0.93 118.16 129.79 1nvl n LYS 66 Ca -0.11 1.16 -0.09 0.00 -2.02 0.00 0.00 58.31 57.25 1nvl n LYS 66 Cb 0.51 -1.72 -0.04 0.00 -0.02 0.00 0.00 35.03 33.77 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 -0.22 -0.88 1.97 3.07 -1.92 0.27 114.58 116.88 1nvl h GLU 67 Ca 0.23 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.08 1nvl h GLU 67 Cb 0.42 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.33 1nvl h GLU 67 CO -0.74 -0.14 0.47 -0.44 -1.40 0.00 0.00 179.01 176.75 1nvl h ASP 68 N -0.22 1.11 -1.00 1.42 3.32 -1.46 0.12 116.42 119.70 1nvl h ASP 68 Ca 0.18 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.18 1nvl h ASP 68 Cb 0.56 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 1nvl h ASP 68 CO -0.70 0.90 0.65 0.00 -1.72 0.00 0.00 179.24 178.36 1nvl h ALA 69 N 1.26 1.37 0.64 3.45 0.00 -0.75 0.13 119.26 125.36 1nvl h ALA 69 Ca 0.31 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1nvl h ALA 69 Cb 0.05 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.52 1nvl h ALA 69 CO -0.05 0.47 -0.31 0.52 0.00 0.00 0.00 179.25 179.88 1nvl h MET 70 N 1.20 -0.83 -0.80 0.00 2.86 0.96 0.37 114.93 118.69 1nvl h MET 70 Ca 0.42 0.06 0.13 0.00 -2.06 0.00 0.00 59.70 58.25 1nvl h MET 70 Cb 0.12 0.19 -0.14 0.00 0.06 0.00 0.00 31.60 31.84 1nvl h MET 70 CO -0.16 -0.51 -0.37 0.87 1.06 0.00 0.00 176.91 177.79 1nvl h LYS 71 N -1.10 -0.08 -0.10 1.72 1.57 -0.26 0.17 116.57 118.49 1nvl h LYS 71 Ca -0.09 0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.48 1nvl h LYS 71 Cb 0.70 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.04 1nvl h LYS 71 CO 0.14 -0.05 -0.77 0.00 -0.57 0.00 0.00 179.45 178.20 1nvl h ALA 72 N 1.15 0.23 -0.25 3.86 0.00 -0.76 -2.77 119.26 120.70 1nvl h ALA 72 Ca 0.28 -0.60 0.06 0.00 0.00 0.00 0.00 54.91 54.65 1nvl h ALA 72 Cb 0.57 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1nvl h ALA 72 CO -0.84 0.60 -0.29 -0.92 0.00 0.00 0.00 179.25 177.79 1nvl h TYR 73 N 0.38 -0.80 -0.78 0.00 3.20 0.96 0.49 116.97 120.41 1nvl h TYR 73 Ca -0.07 0.04 0.10 0.00 3.14 0.00 0.00 58.73 61.95 1nvl h TYR 73 Cb 1.42 0.39 -0.07 0.00 1.54 0.00 0.00 36.73 40.01 1nvl h TYR 73 CO 0.10 -0.37 0.42 0.82 -1.64 0.00 0.00 178.16 177.49 1nvl h ILE 74 N -0.30 0.86 -0.02 1.81 2.04 -0.77 0.28 117.51 121.41 1nvl h ILE 74 Ca 0.13 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 1nvl h ILE 74 Cb 0.51 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1nvl h ILE 74 CO -0.42 0.13 -0.43 0.44 0.00 0.00 0.00 178.15 177.86 1nvl h ASP 75 N 0.69 0.03 -0.05 1.72 3.32 -0.54 0.28 116.42 121.87 1nvl h ASP 75 Ca 0.39 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.39 1nvl h ASP 75 Cb 0.40 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1nvl h ASP 75 CO -0.27 0.46 -0.08 0.50 -1.72 0.00 0.00 179.24 178.13 1nvl h LYS 76 N 0.03 0.14 -0.34 3.56 1.63 0.20 0.84 116.57 122.62 1nvl h LYS 76 Ca -0.00 -0.09 0.07 0.00 -0.85 0.00 0.00 60.65 59.78 1nvl h LYS 76 Cb 0.77 0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 32.33 1nvl h LYS 76 CO 0.06 0.65 -0.40 0.28 -3.45 0.00 0.00 179.45 176.59 1nvl h VAL 77 N -0.35 0.15 -0.83 2.00 2.07 -0.09 0.42 116.25 119.63 1nvl h VAL 77 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.63 1nvl h VAL 77 Cb 0.64 0.15 -0.08 0.00 -1.52 0.00 0.00 31.29 30.49 1nvl h VAL 77 CO 0.02 0.00 0.46 -0.08 0.02 0.00 0.00 177.57 177.99 1nvl h GLU 78 N -0.34 0.74 -0.10 1.57 4.22 -0.61 0.29 114.58 120.34 1nvl h GLU 78 Ca 0.13 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.56 1nvl h GLU 78 Cb 0.58 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1nvl h GLU 78 CO -0.53 0.49 -0.08 0.93 -2.18 0.00 0.00 179.01 177.65 1nvl h GLU 79 N 0.76 -0.08 -0.82 1.92 5.08 0.20 -0.53 114.58 121.12 1nvl h GLU 79 Ca 0.41 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.90 1nvl h GLU 79 Cb 0.40 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.58 1nvl h GLU 79 CO -0.26 -0.05 0.42 -0.07 -1.00 0.00 0.00 179.01 178.05 1nvl h LEU 80 N -0.08 0.54 0.79 1.33 3.38 0.64 0.89 115.31 122.79 1nvl h LEU 80 Ca 0.07 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1nvl h LEU 80 Cb 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1nvl h LEU 80 CO -0.16 0.26 -0.41 0.50 0.09 0.00 0.00 178.44 178.72 1nvl h LYS 81 N 0.65 -1.06 -0.71 1.13 3.64 0.28 0.35 116.57 120.85 1nvl h LYS 81 Ca 0.43 0.07 0.16 0.00 -1.27 0.00 0.00 60.65 60.04 1nvl h LYS 81 Cb 0.55 0.24 -0.11 0.00 -0.41 0.00 0.00 32.23 32.49 1nvl h LYS 81 CO -0.33 -0.71 0.10 0.87 -2.27 0.00 0.00 179.45 177.12 1nvl h LYS 82 N -1.10 0.19 0.13 1.90 1.57 0.27 0.94 116.57 120.47 1nvl h LYS 82 Ca -0.11 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1nvl h LYS 82 Cb 0.86 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1nvl h LYS 82 CO 0.16 0.13 -0.06 0.87 -0.57 0.00 0.00 179.45 179.97 1nvl h LYS 83 N 0.20 -0.17 0.00 3.15 1.57 -0.63 -3.38 116.57 117.31 1nvl h LYS 83 Ca 0.39 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1nvl h LYS 83 Cb 0.67 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1nvl h LYS 83 CO -0.54 0.10 -1.23 0.66 -0.57 0.00 0.00 179.45 177.87 1nvl n TYR 84 N -5.05 0.04 -0.22 -1.35 4.01 0.12 -5.07 117.16 109.65 1nvl n TYR 84 Ca -0.09 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1nvl n TYR 84 Cb 0.19 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 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 1.42 0.60 0.00 2.72 0.00 0.31 -4.80 105.19 105.44 1nvl n GLY 85 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83