#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 0.99 -0.37 4.33 0.00 -1.26 -4.94 117.38 116.14 1nvl n GLN 2 Ca 0.00 -2.77 -0.03 0.00 -0.00 0.00 0.00 57.00 54.20 1nvl n GLN 2 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 30.24 29.29 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 -0.29 3.16 0.07 1.69 0.00 -1.26 -4.23 120.51 119.66 1nvl n ALA 3 Ca 0.14 -0.46 -0.04 0.00 0.00 0.00 0.00 53.44 53.07 1nvl n ALA 3 Cb 0.93 -1.92 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 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 3.62 0.00 0.07 0.00 4.39 -1.97 0.14 114.58 120.83 1nvl h GLU 4 Ca 0.05 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.46 1nvl h GLU 4 Cb 0.61 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1nvl h GLU 4 CO 0.20 0.80 -1.51 0.35 -1.16 0.00 0.00 179.01 177.69 1nvl h PHE 5 N 0.00 0.28 0.14 4.33 3.57 -1.94 -2.08 116.94 121.24 1nvl h PHE 5 Ca -0.03 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.26 1nvl h PHE 5 Cb 1.68 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.41 1nvl h PHE 5 CO 0.00 1.25 -0.07 -0.44 -2.23 0.00 0.00 178.31 176.83 1nvl h ASP 6 N 0.04 -0.16 -0.89 0.41 5.19 -1.84 0.77 116.42 119.94 1nvl h ASP 6 Ca -0.22 -0.17 0.02 0.00 -0.62 0.00 0.00 57.03 56.04 1nvl h ASP 6 Cb 1.97 0.04 -0.05 0.00 0.18 0.00 0.00 39.33 41.48 1nvl h ASP 6 CO 0.13 0.08 0.58 0.50 -3.12 0.00 0.00 179.24 177.41 1nvl h LYS 7 N -0.40 1.12 -0.54 3.56 3.64 -0.76 0.11 116.57 123.30 1nvl h LYS 7 Ca -0.02 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1nvl h LYS 7 Cb 0.32 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1nvl h LYS 7 CO 0.03 0.74 0.25 0.00 -2.27 0.00 0.00 179.45 178.21 1nvl h ALA 8 N 1.35 0.69 -0.46 5.00 0.00 -0.74 -1.75 119.26 123.35 1nvl h ALA 8 Ca 0.34 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1nvl h ALA 8 Cb -0.06 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 17.43 1nvl h ALA 8 CO -0.10 0.26 -0.14 0.00 0.00 0.00 0.00 179.25 179.28 1nvl h ALA 9 N 1.09 0.27 -0.15 0.00 0.00 0.16 0.20 119.26 120.83 1nvl h ALA 9 Ca 0.18 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1nvl h ALA 9 Cb 0.13 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1nvl h ALA 9 CO -0.02 -0.47 -0.40 0.93 0.00 0.00 0.00 179.25 179.29 1nvl h GLU 10 N -0.03 -0.44 -0.57 0.00 5.08 -0.73 0.21 114.58 118.10 1nvl h GLU 10 Ca 0.22 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.73 1nvl h GLU 10 Cb 0.37 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.62 1nvl h GLU 10 CO -0.49 -0.30 -0.01 0.93 -1.00 0.00 0.00 179.01 178.14 1nvl h GLU 11 N -0.46 0.10 -0.28 2.33 5.08 -0.27 -2.32 114.58 118.77 1nvl h GLU 11 Ca 0.08 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1nvl h GLU 11 Cb 0.61 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1nvl h GLU 11 CO -0.40 0.07 -0.11 -0.24 -1.00 0.00 0.00 179.01 177.33 1nvl h VAL 12 N 0.10 1.29 -0.23 3.13 3.04 0.39 -2.36 116.25 121.62 1nvl h VAL 12 Ca 0.29 -1.18 0.07 0.00 -1.01 0.00 0.00 66.70 64.87 1nvl h VAL 12 Cb 0.46 1.47 -0.01 0.00 -2.01 0.00 0.00 31.29 31.21 1nvl h VAL 12 CO -0.50 0.37 0.43 0.11 -1.01 0.00 0.00 177.57 176.98 1nvl h LYS 13 N 0.32 0.00 -0.23 4.17 1.57 -0.10 0.33 116.57 122.62 1nvl h LYS 13 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1nvl h LYS 13 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1nvl h LYS 13 CO 0.04 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.64 1nvl n HIS 14 N -3.30 0.30 -0.61 -1.35 8.25 -0.89 -4.76 115.22 112.86 1nvl n HIS 14 Ca 0.03 -0.15 -0.07 0.00 -0.26 0.00 0.00 57.72 57.27 1nvl n HIS 14 Cb 0.55 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.56 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 0.75 3.33 0.00 2.41 4.77 0.12 -4.81 117.00 123.57 1nvl n LEU 15 Ca 0.17 -2.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 1nvl n LEU 15 Cb 0.43 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1nvl n LEU 15 CO 0.14 0.88 0.00 0.29 -1.33 0.00 0.00 177.39 177.37 1nvl n LYS 16 N 2.61 0.00 -3.18 3.23 5.02 -1.26 -3.51 118.16 121.06 1nvl n LYS 16 Ca 0.25 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.11 1nvl n LYS 16 Cb 0.56 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.57 1nvl n LYS 16 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1nvl n THR 17 N -1.09 4.83 0.00 -0.18 -1.04 -1.26 -4.97 114.28 110.57 1nvl n THR 17 Ca 0.00 -5.66 0.00 0.00 -2.04 0.00 0.00 64.05 56.35 1nvl n THR 17 Cb 0.00 -2.29 0.00 0.00 -1.82 0.00 0.00 70.33 66.22 1nvl n THR 17 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1nvl n LYS 18 N 1.87 0.00 -0.76 -2.82 5.02 -1.23 -4.82 118.16 115.42 1nvl n LYS 18 Ca 0.25 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.22 1nvl n LYS 18 Cb 0.36 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.49 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 -1.16 -2.45 1.97 -0.02 -1.26 -4.87 135.00 127.20 1nvl n PRO 19 Ca 0.00 -0.33 -0.43 0.00 -2.02 0.00 0.00 63.50 60.72 1nvl n PRO 19 Cb 0.00 -1.44 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 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 -2.14 3.56 0.16 3.55 0.00 -1.26 -4.80 121.76 120.82 1nvl s ALA 20 Ca 0.47 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.95 1nvl s ALA 20 Cb -0.04 -3.55 0.32 0.00 0.00 0.00 0.00 23.12 19.85 1nvl s ALA 20 CO 0.61 -0.92 0.83 -0.25 0.00 0.00 0.00 175.76 176.04 1nvl n ASP 21 N 5.74 -0.13 0.38 0.00 9.92 -1.26 0.50 116.55 131.70 1nvl n ASP 21 Ca 0.12 0.91 -0.18 0.00 -0.53 0.00 0.00 54.79 55.11 1nvl n ASP 21 Cb 0.46 -0.30 -0.09 0.00 -0.64 0.00 0.00 41.12 40.55 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 -0.90 0.00 -1.24 5.08 -1.98 0.57 114.58 116.11 1nvl h GLU 22 Ca 0.29 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1nvl h GLU 22 Cb 0.52 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1nvl h GLU 22 CO -0.53 -0.60 -0.00 0.93 -1.00 0.00 0.00 179.01 177.81 1nvl h GLU 23 N -0.93 0.00 0.35 2.33 5.08 -0.32 0.69 114.58 121.78 1nvl h GLU 23 Ca -0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1nvl h GLU 23 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1nvl h GLU 23 CO 0.16 0.00 -0.17 0.52 -1.00 0.00 0.00 179.01 178.52 1nvl h MET 24 N 0.00 -0.45 -0.97 2.33 2.86 0.06 -2.74 114.93 116.02 1nvl h MET 24 Ca -0.00 0.03 0.27 0.00 -2.06 0.00 0.00 59.70 57.94 1nvl h MET 24 Cb 0.01 0.10 -0.18 0.00 0.06 0.00 0.00 31.60 31.60 1nvl h MET 24 CO 0.00 -0.19 0.07 -0.07 1.06 0.00 0.00 176.91 177.78 1nvl h LEU 25 N -1.05 -0.39 0.56 1.22 3.38 0.12 0.33 115.31 119.49 1nvl h LEU 25 Ca -0.05 0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1nvl h LEU 25 Cb 0.47 0.45 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1nvl h LEU 25 CO 0.08 -0.33 -0.34 0.15 0.09 0.00 0.00 178.44 178.08 1nvl h PHE 26 N 0.03 -0.91 -0.49 1.13 3.04 -0.89 0.26 116.94 119.10 1nvl h PHE 26 Ca 0.60 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.64 1nvl h PHE 26 Cb 1.25 0.32 -0.10 0.00 2.56 0.00 0.00 35.95 39.98 1nvl h PHE 26 CO -0.45 -0.51 -0.25 0.82 -2.02 0.00 0.00 178.31 175.90 1nvl h ILE 27 N -0.85 0.30 0.29 1.41 1.08 -0.31 -0.11 117.51 119.33 1nvl h ILE 27 Ca -0.08 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1nvl h ILE 27 Cb 0.68 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 1nvl h ILE 27 CO 0.08 0.00 -0.21 0.22 -0.69 0.00 0.00 178.15 177.55 1nvl h TYR 28 N -0.14 -0.56 0.02 1.37 3.20 -0.33 0.45 116.97 120.98 1nvl h TYR 28 Ca 0.22 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.12 1nvl h TYR 28 Cb 0.49 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.92 1nvl h TYR 28 CO -0.52 -0.32 -0.33 0.66 -1.64 0.00 0.00 178.16 176.00 1nvl h SER 29 N -0.50 -0.99 0.58 -2.11 4.64 -0.03 0.16 113.55 115.30 1nvl h SER 29 Ca -0.02 0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1nvl h SER 29 Cb 0.44 0.39 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1nvl h SER 29 CO 0.00 -0.40 -0.35 0.45 -0.87 0.00 0.00 176.83 175.67 1nvl h HIS 30 N -0.49 -0.91 -0.86 4.77 3.86 -0.98 0.11 115.15 120.65 1nvl h HIS 30 Ca 0.06 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.38 1nvl h HIS 30 Cb 0.57 0.32 -0.14 0.00 1.06 0.00 0.00 27.41 29.22 1nvl h HIS 30 CO -0.35 -0.53 -0.40 -0.92 0.86 0.00 0.00 177.93 176.59 1nvl h TYR 31 N -0.87 -1.16 -0.51 2.45 3.20 0.37 0.34 116.97 120.79 1nvl h TYR 31 Ca -0.07 0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1nvl h TYR 31 Cb 0.70 0.63 -0.03 0.00 1.54 0.00 0.00 36.73 39.58 1nvl h TYR 31 CO -0.09 -0.40 0.32 0.87 -1.64 0.00 0.00 178.16 177.22 1nvl h LYS 32 N -0.06 0.69 -0.53 1.82 1.79 -0.27 0.11 116.57 120.12 1nvl h LYS 32 Ca 0.29 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.66 1nvl h LYS 32 Cb 0.57 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 1nvl h LYS 32 CO -0.89 0.49 0.17 0.37 -1.08 0.00 0.00 179.45 178.51 1nvl h GLN 33 N 0.69 0.83 0.00 3.15 5.75 0.83 0.24 115.11 126.60 1nvl h GLN 33 Ca 0.19 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1nvl h GLN 33 Cb -0.03 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.40 1nvl h GLN 33 CO -0.04 0.76 -0.03 0.00 -2.65 0.00 0.00 178.83 176.87 1nvl h ALA 34 N 1.03 0.99 0.00 3.38 0.00 -0.12 -3.25 119.26 121.30 1nvl h ALA 34 Ca 0.17 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1nvl h ALA 34 Cb 0.27 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1nvl h ALA 34 CO -0.01 0.04 -1.11 0.25 0.00 0.00 0.00 179.25 178.42 1nvl n THR 35 N -3.12 0.97 -0.04 0.00 -2.24 0.36 -4.87 114.28 105.34 1nvl n THR 35 Ca 0.02 0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.62 1nvl n THR 35 Cb 0.40 -1.78 -0.13 0.00 -2.10 0.00 0.00 70.33 66.73 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 -0.43 0.94 0.00 2.28 2.07 -0.80 -3.51 116.25 116.81 1nvl h VAL 36 Ca -0.17 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1nvl h VAL 36 Cb 0.89 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1nvl h VAL 36 CO -0.10 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.68 1nvl n GLY 37 N 1.66 -0.06 3.04 2.17 0.00 -0.19 -4.86 105.19 106.95 1nvl n GLY 37 Ca -0.28 -1.50 -0.01 0.00 0.00 0.00 0.00 46.02 44.22 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 0.58 -1.69 -1.92 1.61 9.92 0.45 -4.73 116.55 120.76 1nvl n ASP 38 Ca 0.00 -1.43 -0.22 0.00 -0.53 0.00 0.00 54.79 52.61 1nvl n ASP 38 Cb 0.00 -0.64 -0.06 0.00 -0.64 0.00 0.00 41.12 39.78 1nvl n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nvl n ILE 39 N 4.77 0.00 -1.29 0.53 3.06 -1.26 -4.76 119.36 120.40 1nvl n ILE 39 Ca 0.03 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.23 1nvl n ILE 39 Cb 0.48 -0.22 0.22 0.00 0.54 0.00 0.00 39.64 40.66 1nvl n ILE 39 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1nvl n ASN 40 N 3.98 3.16 -4.91 9.51 0.23 -1.26 -4.95 115.26 121.02 1nvl n ASN 40 Ca 0.27 -3.55 -0.21 0.00 -0.53 0.00 0.00 54.58 50.56 1nvl n ASN 40 Cb -0.00 -0.66 -0.03 0.00 -2.08 0.00 0.00 39.78 37.01 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 -3.15 4.28 0.22 5.53 -4.23 -1.26 -5.14 115.64 111.89 1nvl s THR 41 Ca 0.47 -1.20 0.09 0.00 -1.18 0.00 0.00 61.69 59.87 1nvl s THR 41 Cb 0.41 -3.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 1nvl s THR 41 CO 0.05 -0.25 -0.08 -1.83 -0.54 0.00 0.00 174.62 171.96 1nvl s GLU 42 N -4.00 2.07 -0.39 3.99 -1.05 -1.26 -5.05 118.70 113.01 1nvl s GLU 42 Ca 0.38 -1.37 -0.34 0.00 -0.15 0.00 0.00 54.97 53.49 1nvl s GLU 42 Cb -0.08 -2.11 -0.15 0.00 -0.44 0.00 0.00 34.13 31.35 1nvl s GLU 42 CO 0.28 0.40 1.58 -2.13 0.95 0.00 0.00 175.26 176.34 1nvl n ARG 43 N -0.29 0.00 0.00 -4.83 0.63 -1.26 -4.90 116.66 106.01 1nvl n ARG 43 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1nvl n ARG 43 Cb 0.57 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 32.32 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 5.30 0.00 0.00 -0.14 -0.02 -1.26 -4.99 135.00 133.89 1nvl n PRO 44 Ca 0.39 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1nvl n PRO 44 Cb -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.45 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 0.00 1.58 0.18 -1.23 0.00 -1.26 -4.92 105.19 99.54 1nvl n GLY 45 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.19 -3.77 1.61 2.81 -1.26 -4.48 117.12 111.85 1nvl n MET 46 Ca 0.00 1.02 -0.29 0.00 -1.81 0.00 0.00 57.70 56.61 1nvl n MET 46 Cb 0.00 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 30.97 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 -7.92 4.28 0.00 4.03 2.01 -1.26 -5.09 118.68 114.73 1nvl s LEU 47 Ca -0.05 0.40 0.00 0.00 0.01 0.00 0.00 54.13 54.49 1nvl s LEU 47 Cb 0.05 -3.13 0.00 0.00 0.01 0.00 0.00 46.19 43.11 1nvl s LEU 47 CO 0.26 0.04 0.00 -0.67 1.01 0.00 0.00 176.35 177.00 1nvl n ASP 48 N -0.21 0.00 0.00 2.29 2.03 -1.26 -4.28 116.55 115.11 1nvl n ASP 48 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1nvl n ASP 48 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1nvl n ASP 48 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1nvl n PHE 49 N 0.00 0.00 0.07 -0.67 -1.74 -1.26 -0.01 117.46 113.85 1nvl n PHE 49 Ca 0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.85 1nvl n PHE 49 Cb 0.00 -0.35 -0.02 0.00 1.52 0.00 0.00 39.48 40.63 1nvl n PHE 49 CO 0.00 0.00 0.00 -0.22 -0.56 0.00 0.00 176.76 175.98 1nvl h LYS 50 N 0.00 -0.27 -0.18 3.97 3.64 -1.98 -3.02 116.57 118.73 1nvl h LYS 50 Ca 0.00 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1nvl h LYS 50 Cb 0.00 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1nvl h LYS 50 CO 0.00 -0.18 -0.11 0.41 -2.27 0.00 0.00 179.45 177.31 1nvl n GLY 51 N 1.06 -2.36 0.23 5.01 0.00 0.75 -0.67 105.19 109.22 1nvl n GLY 51 Ca -0.03 0.57 -0.08 0.00 0.00 0.00 0.00 46.02 46.48 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 0.76 0.19 1.61 6.56 -0.61 -2.97 116.57 122.11 1nvl h LYS 52 Ca 0.03 -0.11 0.01 0.00 -1.06 0.00 0.00 60.65 59.52 1nvl h LYS 52 Cb 0.07 -0.14 -0.03 0.00 -0.57 0.00 0.00 32.23 31.56 1nvl h LYS 52 CO -0.17 0.62 -0.31 0.00 -2.06 0.00 0.00 179.45 177.54 1nvl h ALA 53 N 1.10 -0.57 0.00 3.86 0.00 -1.13 0.57 119.26 123.08 1nvl h ALA 53 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nvl h ALA 53 Cb 0.11 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1nvl h ALA 53 CO -0.02 -0.87 0.00 0.36 0.00 0.00 0.00 179.25 178.72 1nvl n LYS 54 N -5.41 0.18 0.00 0.00 2.85 0.16 0.28 118.16 116.22 1nvl n LYS 54 Ca -0.08 0.17 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 1nvl n LYS 54 Cb 0.32 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.20 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 0.00 -0.12 5.58 -0.00 0.52 -3.78 117.44 118.36 1nvl n TRP 55 Ca 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.53 1nvl n TRP 55 Cb 0.10 -0.13 -0.03 0.00 -0.00 0.00 0.00 31.31 31.25 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 -1.69 -0.29 -0.48 5.87 9.92 0.17 0.55 116.55 130.60 1nvl n ASP 56 Ca 0.00 0.79 0.43 0.00 -0.53 0.00 0.00 54.79 55.48 1nvl n ASP 56 Cb 0.00 -0.21 0.78 0.00 -0.64 0.00 0.00 41.12 41.04 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 -0.16 3.43 0.02 2.24 0.00 -0.37 0.16 119.26 124.58 1nvl h ALA 57 Ca 0.04 -0.05 -0.37 0.00 0.00 0.00 0.00 54.91 54.53 1nvl h ALA 57 Cb 0.11 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1nvl h ALA 57 CO -0.26 -1.88 -2.28 1.87 0.00 0.00 0.00 179.25 176.70 1nvl n TRP 58 N -4.05 0.32 -0.27 0.00 -0.00 0.19 -4.18 117.44 109.45 1nvl n TRP 58 Ca 0.33 0.09 -0.01 0.00 -0.00 0.00 0.00 57.50 57.91 1nvl n TRP 58 Cb 1.57 -1.05 0.11 0.00 -0.00 0.00 0.00 31.31 31.95 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 0.73 0.02 5.87 -1.24 0.20 0.11 115.58 121.29 1nvl h ASN 59 Ca -0.51 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.52 1nvl h ASN 59 Cb 2.05 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.96 1nvl h ASN 59 CO -0.00 0.48 0.00 -0.08 -1.29 0.00 0.00 177.43 176.54 1nvl h GLU 60 N 0.87 0.00 -0.00 6.67 4.81 -0.98 -2.23 114.58 123.72 1nvl h GLU 60 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1nvl h GLU 60 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1nvl h GLU 60 CO -0.16 0.00 -0.15 1.28 -0.73 0.00 0.00 179.01 179.25 1nvl n LEU 61 N -2.86 0.51 0.00 1.64 4.77 -0.30 -4.89 117.00 115.87 1nvl n LEU 61 Ca -0.02 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1nvl n LEU 61 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1nvl n LEU 61 CO 0.17 0.11 0.00 1.17 -1.33 0.00 0.00 177.39 177.52 1nvl n LYS 62 N -0.75 0.00 -2.61 3.23 4.81 0.24 -0.38 118.16 122.69 1nvl n LYS 62 Ca 0.01 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.25 1nvl n LYS 62 Cb 0.08 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.14 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 -0.78 4.36 4.02 3.14 0.00 -1.26 -0.41 105.19 114.26 1nvl n GLY 63 Ca 0.00 -2.23 -0.21 0.00 0.00 0.00 0.00 46.02 43.59 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 -4.50 2.21 -0.37 2.61 2.01 0.48 -5.03 115.64 113.06 1nvl s THR 64 Ca 0.41 -0.87 -0.23 0.00 0.31 0.00 0.00 61.69 61.31 1nvl s THR 64 Cb 0.41 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.59 1nvl s THR 64 CO -0.10 0.00 0.75 -0.94 -0.69 0.00 0.00 174.62 173.64 1nvl s SER 65 N -4.66 6.52 0.22 3.53 1.04 -1.26 -4.90 113.70 114.19 1nvl s SER 65 Ca 0.63 0.29 -0.10 0.00 0.48 0.00 0.00 55.95 57.25 1nvl s SER 65 Cb -0.06 -2.38 0.31 0.00 0.10 0.00 0.00 66.02 63.99 1nvl s SER 65 CO 0.40 -0.71 1.31 0.29 0.98 0.00 0.00 173.24 175.51 1nvl n LYS 66 N 6.34 -0.12 -0.05 4.02 5.02 -1.26 -0.96 118.16 131.15 1nvl n LYS 66 Ca 0.02 1.30 -0.08 0.00 -2.02 0.00 0.00 58.31 57.53 1nvl n LYS 66 Cb 0.48 -1.94 -0.02 0.00 -0.02 0.00 0.00 35.03 33.53 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 -0.26 -0.77 1.97 5.08 -1.90 0.44 114.58 119.14 1nvl h GLU 67 Ca 0.36 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.70 1nvl h GLU 67 Cb 0.57 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1nvl h GLU 67 CO -0.85 -0.17 0.34 -0.44 -1.00 0.00 0.00 179.01 176.89 1nvl h ASP 68 N -0.27 1.02 0.29 1.42 5.19 -1.46 0.51 116.42 123.13 1nvl h ASP 68 Ca 0.14 -0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1nvl h ASP 68 Cb 0.48 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1nvl h ASP 68 CO -0.40 0.88 -0.14 0.00 -3.12 0.00 0.00 179.24 176.46 1nvl h ALA 69 N 1.27 -0.39 -0.30 3.45 0.00 -1.03 -1.71 119.26 120.56 1nvl h ALA 69 Ca 0.26 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1nvl h ALA 69 Cb 0.15 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1nvl h ALA 69 CO -0.03 -0.69 -0.45 0.52 0.00 0.00 0.00 179.25 178.60 1nvl h MET 70 N -0.44 -0.39 -0.14 0.00 2.86 0.94 0.50 114.93 118.26 1nvl h MET 70 Ca -0.04 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1nvl h MET 70 Cb 0.33 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1nvl h MET 70 CO 0.07 -0.26 -0.12 0.87 1.06 0.00 0.00 176.91 178.53 1nvl h LYS 71 N -0.41 -0.04 -0.68 1.72 1.57 -0.55 0.22 116.57 118.40 1nvl h LYS 71 Ca 0.10 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.97 1nvl h LYS 71 Cb 0.61 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.86 1nvl h LYS 71 CO -0.51 -0.03 0.34 0.00 -0.57 0.00 0.00 179.45 178.68 1nvl h ALA 72 N -0.88 0.93 -0.04 3.86 0.00 -0.88 0.08 119.26 122.32 1nvl h ALA 72 Ca 0.02 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1nvl h ALA 72 Cb 0.11 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1nvl h ALA 72 CO -0.15 -0.05 -0.50 -0.92 0.00 0.00 0.00 179.25 177.62 1nvl h TYR 73 N 0.59 -1.47 -0.85 0.00 3.20 0.14 0.73 116.97 119.31 1nvl h TYR 73 Ca 0.33 0.05 0.06 0.00 3.14 0.00 0.00 58.73 62.31 1nvl h TYR 73 Cb 0.33 0.65 -0.06 0.00 1.54 0.00 0.00 36.73 39.18 1nvl h TYR 73 CO -0.11 -0.55 0.52 0.82 -1.64 0.00 0.00 178.16 177.21 1nvl h ILE 74 N -0.62 1.04 0.00 1.81 2.04 -0.21 0.53 117.51 122.10 1nvl h ILE 74 Ca 0.03 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1nvl h ILE 74 Cb 0.70 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1nvl h ILE 74 CO -0.37 0.17 -0.04 0.44 0.00 0.00 0.00 178.15 178.36 1nvl h ASP 75 N 0.95 0.00 0.11 1.72 5.19 0.03 0.20 116.42 124.62 1nvl h ASP 75 Ca 0.37 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.49 1nvl h ASP 75 Cb 0.17 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1nvl h ASP 75 CO -0.17 0.04 -1.48 0.50 -3.12 0.00 0.00 179.24 175.01 1nvl h LYS 76 N 0.00 0.23 -0.33 3.56 1.63 0.21 -1.18 116.57 120.69 1nvl h LYS 76 Ca -0.00 -0.39 0.07 0.00 -0.85 0.00 0.00 60.65 59.48 1nvl h LYS 76 Cb 0.65 0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 32.35 1nvl h LYS 76 CO 0.00 1.19 -0.13 0.28 -3.45 0.00 0.00 179.45 177.34 1nvl h VAL 77 N -0.30 0.57 -0.15 2.00 2.07 0.27 0.33 116.25 121.04 1nvl h VAL 77 Ca -0.32 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.25 1nvl h VAL 77 Cb 1.76 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 1nvl h VAL 77 CO 0.04 0.00 -0.33 -0.08 0.02 0.00 0.00 177.57 177.23 1nvl h GLU 78 N -0.07 -0.38 -0.85 1.57 4.22 -0.63 0.42 114.58 118.87 1nvl h GLU 78 Ca 0.17 0.03 0.14 0.00 0.08 0.00 0.00 59.36 59.77 1nvl h GLU 78 Cb 0.32 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 29.51 1nvl h GLU 78 CO -0.38 -0.25 -0.36 0.93 -2.18 0.00 0.00 179.01 176.77 1nvl h GLU 79 N -0.39 -0.05 -0.70 1.92 4.39 0.79 0.29 114.58 120.82 1nvl h GLU 79 Ca 0.10 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 1nvl h GLU 79 Cb 0.55 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1nvl h GLU 79 CO -0.37 -0.04 0.32 -0.07 -1.16 0.00 0.00 179.01 177.70 1nvl h LEU 80 N -0.06 0.93 0.64 1.33 3.38 0.15 -1.74 115.31 119.94 1nvl h LEU 80 Ca 0.31 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1nvl h LEU 80 Cb 0.59 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1nvl h LEU 80 CO -0.88 0.81 -0.31 0.50 0.09 0.00 0.00 178.44 178.66 1nvl h LYS 81 N 0.98 -0.83 -0.69 1.13 3.64 0.17 0.37 116.57 121.34 1nvl h LYS 81 Ca 0.24 0.06 0.18 0.00 -1.27 0.00 0.00 60.65 59.85 1nvl h LYS 81 Cb 0.14 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1nvl h LYS 81 CO -0.03 -0.55 0.48 0.87 -2.27 0.00 0.00 179.45 177.95 1nvl h LYS 82 N -0.86 0.14 0.20 1.90 1.57 -0.26 0.12 116.57 119.37 1nvl h LYS 82 Ca -0.09 -0.01 -0.34 0.00 -1.87 0.00 0.00 60.65 58.34 1nvl h LYS 82 Cb 0.66 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.95 1nvl h LYS 82 CO 0.14 0.09 -1.68 0.87 -0.57 0.00 0.00 179.45 178.31 1nvl h LYS 83 N 0.14 0.42 0.00 3.15 1.57 -0.79 -3.41 116.57 117.65 1nvl h LYS 83 Ca 0.34 -0.71 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 1nvl h LYS 83 Cb 1.12 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 1nvl h LYS 83 CO -0.05 1.34 -1.85 0.66 -0.57 0.00 0.00 179.45 178.98 1nvl n TYR 84 N -3.64 0.20 0.00 -1.35 4.01 0.13 -5.06 117.16 111.44 1nvl n TYR 84 Ca -0.23 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1nvl n TYR 84 Cb 1.07 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 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 1.30 1.86 0.05 2.72 0.00 0.36 -4.87 105.19 106.61 1nvl n GLY 85 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.96 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83