#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 0.46 -0.43 4.33 0.00 -1.26 -5.09 117.38 115.39 1nvl n GLN 2 Ca 0.00 -2.92 0.10 0.00 0.00 0.00 0.00 57.00 54.18 1nvl n GLN 2 Cb 0.00 2.51 0.31 0.00 0.00 0.00 0.00 30.24 33.06 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 -0.89 2.64 0.74 2.61 0.00 -1.26 -4.39 120.51 119.96 1nvl n ALA 3 Ca -0.11 -1.28 0.13 0.00 0.00 0.00 0.00 53.44 52.17 1nvl n ALA 3 Cb 0.55 -0.98 0.49 0.00 0.00 0.00 0.00 19.45 19.52 1nvl n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nvl n GLU 4 N 1.31 0.12 0.02 0.00 -0.58 -1.26 -3.06 120.64 117.19 1nvl n GLU 4 Ca 0.23 0.15 -0.13 0.00 -0.42 0.00 0.00 57.16 57.00 1nvl n GLU 4 Cb 0.67 -1.66 -0.09 0.00 -0.57 0.00 0.00 31.44 29.79 1nvl n GLU 4 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1nvl h PHE 5 N 0.00 -0.10 -0.44 -0.32 3.57 -1.96 -2.36 116.94 115.33 1nvl h PHE 5 Ca 0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1nvl h PHE 5 Cb 0.55 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.24 1nvl h PHE 5 CO 0.00 0.39 -0.09 -0.44 -2.23 0.00 0.00 178.31 175.94 1nvl h ASP 6 N -0.64 -0.37 -0.17 0.41 3.32 -1.85 0.28 116.42 117.40 1nvl h ASP 6 Ca -0.01 0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.22 1nvl h ASP 6 Cb 0.53 0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.28 1nvl h ASP 6 CO 0.02 -0.13 -0.20 0.50 -1.72 0.00 0.00 179.24 177.71 1nvl h LYS 7 N 0.02 -0.22 -0.18 3.56 3.64 -1.53 0.32 116.57 122.17 1nvl h LYS 7 Ca 0.21 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1nvl h LYS 7 Cb 0.33 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1nvl h LYS 7 CO -0.44 -0.15 -0.02 0.00 -2.27 0.00 0.00 179.45 176.57 1nvl h ALA 8 N 0.81 0.14 -0.37 5.00 0.00 -0.41 -0.64 119.26 123.79 1nvl h ALA 8 Ca 0.11 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1nvl h ALA 8 Cb 0.40 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1nvl h ALA 8 CO -0.31 -0.46 -0.35 0.00 0.00 0.00 0.00 179.25 178.14 1nvl h ALA 9 N 1.17 -0.25 -0.42 0.00 0.00 0.13 0.33 119.26 120.22 1nvl h ALA 9 Ca 0.09 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1nvl h ALA 9 Cb 0.12 0.73 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 1nvl h ALA 9 CO -0.17 -0.76 -0.47 0.93 0.00 0.00 0.00 179.25 178.78 1nvl h GLU 10 N -0.28 -0.33 -0.34 0.00 5.08 0.16 0.71 114.58 119.57 1nvl h GLU 10 Ca 0.16 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.62 1nvl h GLU 10 Cb 0.55 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.80 1nvl h GLU 10 CO -0.53 -0.22 -0.18 0.93 -1.00 0.00 0.00 179.01 178.01 1nvl h GLU 11 N -0.34 -0.12 -0.30 2.33 5.08 0.44 -1.58 114.58 120.08 1nvl h GLU 11 Ca 0.12 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1nvl h GLU 11 Cb 0.59 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1nvl h GLU 11 CO -0.59 -0.08 0.13 -0.24 -1.00 0.00 0.00 179.01 177.23 1nvl h VAL 12 N -0.13 0.96 -0.56 3.13 3.04 0.92 0.49 116.25 124.12 1nvl h VAL 12 Ca 0.17 -0.10 0.11 0.00 -1.01 0.00 0.00 66.70 65.88 1nvl h VAL 12 Cb 0.39 0.65 -0.03 0.00 -2.01 0.00 0.00 31.29 30.29 1nvl h VAL 12 CO -0.42 0.05 0.38 0.11 -1.01 0.00 0.00 177.57 176.68 1nvl h LYS 13 N 0.29 0.26 0.00 4.17 1.57 -0.41 -1.51 116.57 120.93 1nvl h LYS 13 Ca 0.13 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1nvl h LYS 13 Cb 0.07 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1nvl h LYS 13 CO -0.11 0.17 -0.60 0.45 -0.57 0.00 0.00 179.45 178.80 1nvl h HIS 14 N 0.27 0.00 0.00 -1.35 3.86 -0.24 -3.47 115.15 114.22 1nvl h HIS 14 Ca 0.26 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.98 1nvl h HIS 14 Cb 0.67 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.07 1nvl h HIS 14 CO -0.00 0.03 1.43 1.28 0.86 0.00 0.00 177.93 181.52 1nvl n LEU 15 N -2.87 0.36 0.00 2.43 4.77 0.04 -4.73 117.00 117.00 1nvl n LEU 15 Ca 0.01 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1nvl n LEU 15 Cb 0.55 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1nvl n LEU 15 CO 0.38 -0.64 0.31 2.29 -1.33 0.00 0.00 177.39 178.40 1nvl n LYS 16 N 7.15 0.00 -3.43 3.23 2.85 -1.26 -4.08 118.16 122.62 1nvl n LYS 16 Ca 0.55 0.15 -0.27 0.00 -1.05 0.00 0.00 58.31 57.68 1nvl n LYS 16 Cb 0.01 -1.58 -0.11 0.00 -0.65 0.00 0.00 35.03 32.71 1nvl n LYS 16 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1nvl s THR 17 N -2.10 0.42 0.00 0.58 2.01 -1.26 -5.09 115.64 110.20 1nvl s THR 17 Ca 0.00 -2.53 0.00 0.00 0.31 0.00 0.00 61.69 59.47 1nvl s THR 17 Cb 0.00 -1.31 0.00 0.00 0.01 0.00 0.00 72.50 71.20 1nvl s THR 17 CO 0.00 -1.17 0.00 1.17 -0.69 0.00 0.00 174.62 173.93 1nvl n LYS 18 N 3.05 0.00 -1.35 4.92 4.81 -1.26 -4.81 118.16 123.52 1nvl n LYS 18 Ca 0.26 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.37 1nvl n LYS 18 Cb 0.45 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.59 1nvl n LYS 18 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1nvl s PRO 19 N 0.00 2.13 0.18 1.64 0.02 -1.26 -4.93 135.00 132.78 1nvl s PRO 19 Ca 0.00 1.50 -0.32 0.00 0.02 0.00 0.00 61.00 62.20 1nvl s PRO 19 Cb 0.00 -1.86 -0.16 0.00 0.02 0.00 0.00 34.50 32.50 1nvl s PRO 19 CO 0.00 -1.79 1.06 0.00 -0.33 0.00 0.00 177.00 175.94 1nvl n ALA 20 N -3.08 -1.16 -0.40 -1.55 0.00 -1.26 -4.54 120.51 108.53 1nvl n ALA 20 Ca 0.11 0.46 -0.09 0.00 0.00 0.00 0.00 53.44 53.92 1nvl n ALA 20 Cb 0.52 -1.96 -0.08 0.00 0.00 0.00 0.00 19.45 17.93 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 1.85 -0.96 -0.37 0.00 8.00 -1.26 -0.10 116.55 123.71 1nvl n ASP 21 Ca 0.15 1.71 -0.02 0.00 0.71 0.00 0.00 54.79 57.34 1nvl n ASP 21 Cb 0.25 -0.25 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1nvl n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nvl n GLU 22 N -5.23 -0.24 0.14 -1.24 -0.58 -1.26 0.12 120.64 112.34 1nvl n GLU 22 Ca 0.03 1.47 0.05 0.00 -0.42 0.00 0.00 57.16 58.29 1nvl n GLU 22 Cb 0.27 -2.18 0.51 0.00 -0.57 0.00 0.00 31.44 29.48 1nvl n GLU 22 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1nvl h GLU 23 N 0.00 0.24 0.18 3.49 5.08 -0.83 0.50 114.58 123.23 1nvl h GLU 23 Ca 0.31 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1nvl h GLU 23 Cb 0.55 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1nvl h GLU 23 CO -0.94 0.21 -0.08 0.52 -1.00 0.00 0.00 179.01 177.71 1nvl h MET 24 N 0.24 -0.23 -0.86 2.33 2.86 0.25 -2.04 114.93 117.48 1nvl h MET 24 Ca 0.06 0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.87 1nvl h MET 24 Cb 0.06 0.05 -0.15 0.00 0.06 0.00 0.00 31.60 31.62 1nvl h MET 24 CO -0.01 0.19 -0.30 -0.07 1.06 0.00 0.00 176.91 177.78 1nvl h LEU 25 N -0.83 -1.11 0.72 1.22 3.38 0.12 0.43 115.31 119.25 1nvl h LEU 25 Ca -0.02 0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1nvl h LEU 25 Cb 0.52 0.63 0.01 0.00 0.09 0.00 0.00 40.66 41.90 1nvl h LEU 25 CO 0.04 -0.29 -0.36 0.15 0.09 0.00 0.00 178.44 178.06 1nvl h PHE 26 N -0.04 -0.94 -0.87 1.13 3.04 -0.95 -0.77 116.94 117.54 1nvl h PHE 26 Ca 0.36 -0.02 0.16 0.00 3.98 0.00 0.00 57.97 62.45 1nvl h PHE 26 Cb 0.61 0.32 -0.16 0.00 2.56 0.00 0.00 35.95 39.28 1nvl h PHE 26 CO -0.74 -0.57 -0.28 0.82 -2.02 0.00 0.00 178.31 175.51 1nvl h ILE 27 N -0.99 0.09 0.66 1.41 1.08 -0.26 0.10 117.51 119.61 1nvl h ILE 27 Ca -0.10 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.35 1nvl h ILE 27 Cb 0.76 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 1nvl h ILE 27 CO 0.15 0.00 -0.44 0.22 -0.69 0.00 0.00 178.15 177.39 1nvl h TYR 28 N -0.02 -1.19 0.05 1.37 3.20 -0.01 0.49 116.97 120.85 1nvl h TYR 28 Ca 0.38 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.27 1nvl h TYR 28 Cb 0.62 0.43 -0.05 0.00 1.54 0.00 0.00 36.73 39.28 1nvl h TYR 28 CO -0.73 -0.65 -0.32 0.66 -1.64 0.00 0.00 178.16 175.48 1nvl h SER 29 N -1.05 -0.94 0.40 -2.11 4.64 -0.36 0.95 113.55 115.07 1nvl h SER 29 Ca -0.08 0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1nvl h SER 29 Cb 0.86 0.37 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1nvl h SER 29 CO 0.06 -0.39 -0.23 0.45 -0.87 0.00 0.00 176.83 175.85 1nvl h HIS 30 N -0.50 -0.60 -0.51 4.77 3.86 -0.77 0.15 115.15 121.55 1nvl h HIS 30 Ca 0.05 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.31 1nvl h HIS 30 Cb 0.56 0.21 -0.05 0.00 1.06 0.00 0.00 27.41 29.19 1nvl h HIS 30 CO -0.32 -0.36 0.23 -0.92 0.86 0.00 0.00 177.93 177.42 1nvl h TYR 31 N -0.59 0.42 -0.03 2.45 3.20 0.20 0.41 116.97 123.03 1nvl h TYR 31 Ca -0.05 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1nvl h TYR 31 Cb 0.48 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1nvl h TYR 31 CO -0.08 0.18 -0.06 0.87 -1.64 0.00 0.00 178.16 177.43 1nvl h LYS 32 N 0.45 0.10 -0.64 1.82 1.57 -0.71 -1.80 116.57 117.36 1nvl h LYS 32 Ca 0.23 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1nvl h LYS 32 Cb 0.18 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1nvl h LYS 32 CO -0.19 0.63 0.24 -0.56 -0.57 0.00 0.00 179.45 179.00 1nvl h GLN 33 N -0.42 0.97 0.00 3.15 -0.00 -0.61 0.82 115.11 119.01 1nvl h GLN 33 Ca 0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 58.65 58.45 1nvl h GLN 33 Cb 0.63 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.48 27.96 1nvl h GLN 33 CO 0.01 0.83 -0.07 0.00 -0.00 0.00 0.00 178.83 179.60 1nvl h ALA 34 N 1.10 1.30 0.00 0.06 0.00 -0.15 -0.23 119.26 121.34 1nvl h ALA 34 Ca 0.21 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 1nvl h ALA 34 Cb 0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1nvl h ALA 34 CO -0.01 0.09 -1.76 0.25 0.00 0.00 0.00 179.25 177.82 1nvl n THR 35 N -3.60 0.75 -0.05 0.00 -2.24 -0.68 -4.64 114.28 103.81 1nvl n THR 35 Ca -0.02 -0.24 -0.02 0.00 -2.27 0.00 0.00 64.05 61.50 1nvl n THR 35 Cb 0.18 -1.35 -0.01 0.00 -2.10 0.00 0.00 70.33 67.06 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 -0.26 0.00 0.00 2.28 2.07 0.53 -3.51 116.25 117.36 1nvl h VAL 36 Ca -0.32 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1nvl h VAL 36 Cb 1.37 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1nvl h VAL 36 CO -0.13 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.07 1nvl n GLY 37 N 1.72 0.12 3.75 2.17 0.00 -0.10 -4.97 105.19 107.88 1nvl n GLY 37 Ca -0.03 -1.39 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 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 5.24 0.81 1.61 1.01 -1.26 -4.13 116.67 115.95 1nvl s ASP 38 Ca 0.00 2.74 -0.14 0.00 0.71 0.00 0.00 52.55 55.86 1nvl s ASP 38 Cb 0.00 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.33 1nvl s ASP 38 CO 0.00 -1.59 0.80 0.00 0.21 0.00 0.00 175.17 174.59 1nvl n ILE 39 N -1.08 1.51 0.00 0.77 3.06 -1.26 -4.91 119.36 117.44 1nvl n ILE 39 Ca 0.11 -0.27 0.00 0.00 -2.50 0.00 0.00 62.75 60.09 1nvl n ILE 39 Cb 0.45 -0.91 0.00 0.00 0.54 0.00 0.00 39.64 39.72 1nvl n ILE 39 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1nvl n ASN 40 N -1.81 2.42 -4.90 9.51 3.02 -1.26 -5.07 115.26 117.17 1nvl n ASN 40 Ca 0.11 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.38 1nvl n ASN 40 Cb 0.51 0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 39.96 1nvl n ASN 40 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1nvl s THR 41 N -1.36 4.93 0.03 3.41 -4.23 -1.26 -5.08 115.64 112.08 1nvl s THR 41 Ca 0.00 0.21 -0.06 0.00 -1.18 0.00 0.00 61.69 60.66 1nvl s THR 41 Cb 0.00 -3.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 1nvl s THR 41 CO 0.00 -0.56 0.28 -1.61 -0.54 0.00 0.00 174.62 172.19 1nvl s GLU 42 N -4.05 3.58 -0.74 3.99 2.02 -1.26 -4.98 118.70 117.25 1nvl s GLU 42 Ca 0.47 -0.09 -0.21 0.00 0.02 0.00 0.00 54.97 55.15 1nvl s GLU 42 Cb -0.10 -3.05 -0.17 0.00 0.10 0.00 0.00 34.13 30.90 1nvl s GLU 42 CO 0.35 0.63 1.96 -2.13 0.02 0.00 0.00 175.26 176.09 1nvl n ARG 43 N 0.97 0.00 -1.31 1.61 0.63 -1.26 -4.79 116.66 112.51 1nvl n ARG 43 Ca -0.10 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.38 1nvl n ARG 43 Cb 0.53 -1.07 -0.03 0.00 0.45 0.00 0.00 32.46 32.34 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 6.06 0.00 -0.01 -0.14 -0.02 -1.26 -4.96 135.00 134.66 1nvl n PRO 44 Ca 0.49 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.96 1nvl n PRO 44 Cb 0.03 -0.93 -0.01 0.00 -0.02 0.00 0.00 33.50 32.57 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 1.86 -0.43 0.39 -1.23 0.00 -1.26 -4.77 105.19 99.76 1nvl n GLY 45 Ca 0.17 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.17 -0.37 -6.50 1.61 2.86 -2.02 -3.43 114.93 106.92 1nvl h MET 46 Ca 0.00 0.03 -0.53 0.00 -2.06 0.00 0.00 59.70 57.14 1nvl h MET 46 Cb 0.17 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1nvl h MET 46 CO 0.00 -0.25 -0.01 -0.51 1.06 0.00 0.00 176.91 177.21 1nvl s LEU 47 N -9.62 4.24 0.00 1.22 1.02 -1.26 -5.06 118.68 109.22 1nvl s LEU 47 Ca -0.13 1.16 0.00 0.00 0.02 0.00 0.00 54.13 55.19 1nvl s LEU 47 Cb 0.07 -3.62 0.00 0.00 0.02 0.00 0.00 46.19 42.66 1nvl s LEU 47 CO 0.53 -0.02 0.00 -0.90 0.02 0.00 0.00 176.35 175.97 1nvl n ASP 48 N 0.30 0.00 -0.29 2.29 5.68 -1.26 -3.36 116.55 119.91 1nvl n ASP 48 Ca -0.01 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.26 1nvl n ASP 48 Cb 0.52 -0.12 0.04 0.00 -1.14 0.00 0.00 41.12 40.41 1nvl n ASP 48 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 1nvl h PHE 49 N 0.00 -0.91 0.00 2.11 -0.00 -1.97 0.11 116.94 116.27 1nvl h PHE 49 Ca 0.00 0.09 -0.06 0.00 -0.00 0.00 0.00 57.97 58.00 1nvl h PHE 49 Cb 0.00 0.52 -0.01 0.00 -0.00 0.00 0.00 35.95 36.46 1nvl h PHE 49 CO 0.00 -0.39 -0.61 -0.22 -0.00 0.00 0.00 178.31 177.09 1nvl h LYS 50 N -0.07 0.00 -0.10 6.09 3.64 -1.98 -3.32 116.57 120.84 1nvl h LYS 50 Ca 0.31 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1nvl h LYS 50 Cb 0.58 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1nvl h LYS 50 CO -0.84 0.30 -0.06 0.41 -2.27 0.00 0.00 179.45 177.00 1nvl n GLY 51 N 1.59 -2.90 0.07 5.01 0.00 -1.16 -2.22 105.19 105.58 1nvl n GLY 51 Ca -0.13 0.61 -0.08 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.03 -0.61 1.61 6.56 -0.80 -3.30 116.57 120.00 1nvl h LYS 52 Ca 0.02 0.00 0.11 0.00 -1.06 0.00 0.00 60.65 59.71 1nvl h LYS 52 Cb 0.04 0.01 -0.12 0.00 -0.57 0.00 0.00 32.23 31.59 1nvl h LYS 52 CO -0.09 0.50 -0.33 0.00 -2.06 0.00 0.00 179.45 177.47 1nvl h ALA 53 N -0.42 -0.03 0.00 3.86 0.00 -1.58 0.42 119.26 121.51 1nvl h ALA 53 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1nvl h ALA 53 Cb 0.55 0.79 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1nvl h ALA 53 CO 0.01 -0.67 0.00 0.36 0.00 0.00 0.00 179.25 178.95 1nvl n LYS 54 N -5.44 0.64 -0.12 0.00 2.85 -0.94 -0.36 118.16 114.79 1nvl n LYS 54 Ca 0.04 0.01 -0.22 0.00 -1.05 0.00 0.00 58.31 57.09 1nvl n LYS 54 Cb 0.36 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.12 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 -1.04 0.17 0.43 5.58 -0.00 0.11 -3.94 117.44 118.76 1nvl n TRP 55 Ca 0.16 0.05 -0.18 0.00 -0.00 0.00 0.00 57.50 57.52 1nvl n TRP 55 Cb 0.09 -1.02 -0.09 0.00 -0.00 0.00 0.00 31.31 30.29 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 -0.37 -0.93 -1.49 5.87 5.19 -0.43 0.12 116.42 124.37 1nvl h ASP 56 Ca -0.60 0.02 0.43 0.00 -0.62 0.00 0.00 57.03 56.27 1nvl h ASP 56 Cb 1.79 0.24 -0.06 0.00 0.18 0.00 0.00 39.33 41.48 1nvl h ASP 56 CO -0.19 -0.62 1.28 0.00 -3.12 0.00 0.00 179.24 176.59 1nvl h ALA 57 N -1.06 3.41 0.02 3.45 0.00 -0.89 0.17 119.26 124.36 1nvl h ALA 57 Ca -0.11 -0.05 -0.39 0.00 0.00 0.00 0.00 54.91 54.35 1nvl h ALA 57 Cb 0.86 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1nvl h ALA 57 CO 0.19 -2.05 -2.37 1.87 0.00 0.00 0.00 179.25 176.89 1nvl n TRP 58 N -3.65 0.26 -0.13 0.00 -0.00 -0.79 -4.05 117.44 109.07 1nvl n TRP 58 Ca 0.33 0.06 0.11 0.00 -0.00 0.00 0.00 57.50 58.01 1nvl n TRP 58 Cb 1.73 -1.03 0.46 0.00 -0.00 0.00 0.00 31.31 32.47 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 -0.15 0.46 -0.14 5.87 -1.24 0.15 0.20 115.58 120.74 1nvl h ASN 59 Ca -0.56 0.01 0.04 0.00 0.71 0.00 0.00 56.30 56.50 1nvl h ASN 59 Cb 1.87 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 40.83 1nvl h ASN 59 CO -0.11 0.27 0.24 -0.33 -1.29 0.00 0.00 177.43 176.22 1nvl h GLU 60 N 0.51 0.00 -0.03 6.67 5.08 -0.93 -1.46 114.58 124.41 1nvl h GLU 60 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1nvl h GLU 60 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1nvl h GLU 60 CO -0.10 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.19 1nvl n LEU 61 N -3.43 1.95 -4.63 1.33 4.77 0.65 -5.02 117.00 112.61 1nvl n LEU 61 Ca 0.01 -1.07 -0.38 0.00 -0.03 0.00 0.00 56.01 54.53 1nvl n LEU 61 Cb 0.34 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1nvl n LEU 61 CO 0.22 0.38 0.60 1.17 -1.33 0.00 0.00 177.39 178.44 1nvl n LYS 62 N 0.58 1.06 -0.15 3.23 4.81 -0.55 -1.31 118.16 125.82 1nvl n LYS 62 Ca 0.06 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1nvl n LYS 62 Cb 0.27 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.12 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 1.21 1.66 3.84 3.14 0.00 -1.26 -5.03 105.19 108.74 1nvl n GLY 63 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.79 5.32 0.13 2.61 2.01 -0.43 -5.04 115.64 117.45 1nvl s THR 64 Ca 0.00 0.45 -0.34 0.00 0.31 0.00 0.00 61.69 62.12 1nvl s THR 64 Cb 0.00 -3.53 -0.14 0.00 0.01 0.00 0.00 72.50 68.84 1nvl s THR 64 CO 0.00 0.57 1.62 -1.20 -0.69 0.00 0.00 174.62 174.92 1nvl n SER 65 N 2.17 3.15 -0.30 3.53 7.64 -1.26 -4.77 113.62 123.78 1nvl n SER 65 Ca -0.17 1.07 0.11 0.00 1.01 0.00 0.00 58.87 60.89 1nvl n SER 65 Cb 0.54 -1.42 0.22 0.00 -1.01 0.00 0.00 64.21 62.54 1nvl n SER 65 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1nvl n LYS 66 N 3.86 -0.07 -0.08 1.43 5.02 -1.26 0.52 118.16 127.57 1nvl n LYS 66 Ca 0.18 1.32 -0.08 0.00 -2.02 0.00 0.00 58.31 57.70 1nvl n LYS 66 Cb 0.29 -2.06 -0.02 0.00 -0.02 0.00 0.00 35.03 33.22 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 -0.28 -0.55 1.97 5.08 -1.87 0.51 114.58 119.44 1nvl h GLU 67 Ca 0.50 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.82 1nvl h GLU 67 Cb 0.97 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1nvl h GLU 67 CO -0.84 -0.19 0.12 -0.44 -1.00 0.00 0.00 179.01 176.66 1nvl h ASP 68 N -0.29 0.84 -0.64 1.42 3.32 -0.27 -0.08 116.42 120.72 1nvl h ASP 68 Ca 0.15 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 56.98 1nvl h ASP 68 Cb 0.54 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1nvl h ASP 68 CO -0.48 0.87 0.43 0.00 -1.72 0.00 0.00 179.24 178.33 1nvl h ALA 69 N 1.01 1.60 0.53 3.45 0.00 -0.29 -1.22 119.26 124.34 1nvl h ALA 69 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1nvl h ALA 69 Cb 0.36 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1nvl h ALA 69 CO 0.00 0.34 -0.31 0.52 0.00 0.00 0.00 179.25 179.80 1nvl h MET 70 N 0.81 -0.77 -0.60 0.00 2.86 0.18 0.42 114.93 117.83 1nvl h MET 70 Ca 0.25 0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.99 1nvl h MET 70 Cb 0.00 0.17 -0.07 0.00 0.06 0.00 0.00 31.60 31.77 1nvl h MET 70 CO -0.06 -0.51 -0.35 1.63 1.06 0.00 0.00 176.91 178.67 1nvl n LYS 71 N -5.45 -0.26 -0.08 1.72 5.02 -0.51 -0.17 118.16 118.42 1nvl n LYS 71 Ca -0.12 1.12 -0.10 0.00 -2.02 0.00 0.00 58.31 57.19 1nvl n LYS 71 Cb 0.35 -1.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 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 0.08 0.34 -0.12 7.82 0.00 -1.25 0.17 119.26 126.31 1nvl h ALA 72 Ca 0.10 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1nvl h ALA 72 Cb 0.25 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1nvl h ALA 72 CO -0.56 -0.04 -0.44 -0.92 0.00 0.00 0.00 179.25 177.28 1nvl h TYR 73 N 0.26 -1.28 -0.09 0.00 3.20 0.19 0.42 116.97 119.66 1nvl h TYR 73 Ca 0.08 0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1nvl h TYR 73 Cb 0.22 0.58 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1nvl h TYR 73 CO -0.00 -0.49 -0.03 0.82 -1.64 0.00 0.00 178.16 176.82 1nvl h ILE 74 N -0.52 0.89 -0.19 1.81 2.04 -0.48 0.30 117.51 121.37 1nvl h ILE 74 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 1nvl h ILE 74 Cb 0.64 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1nvl h ILE 74 CO -0.40 0.00 0.12 0.44 0.00 0.00 0.00 178.15 178.32 1nvl h ASP 75 N -0.01 0.20 -0.05 1.72 3.32 -0.12 0.30 116.42 121.78 1nvl h ASP 75 Ca 0.05 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 1nvl h ASP 75 Cb 0.08 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1nvl h ASP 75 CO -0.10 0.14 -0.28 0.50 -1.72 0.00 0.00 179.24 177.78 1nvl h LYS 76 N 0.24 0.28 0.10 3.56 1.63 0.87 0.14 116.57 123.39 1nvl h LYS 76 Ca 0.07 -0.24 0.02 0.00 -0.85 0.00 0.00 60.65 59.66 1nvl h LYS 76 Cb -0.00 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 1nvl h LYS 76 CO -0.01 0.89 -0.32 0.28 -3.45 0.00 0.00 179.45 176.83 1nvl h VAL 77 N -0.24 0.31 -0.30 2.00 2.07 0.10 0.33 116.25 120.51 1nvl h VAL 77 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1nvl h VAL 77 Cb 0.95 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 1nvl h VAL 77 CO 0.06 0.00 -0.54 -0.08 0.02 0.00 0.00 177.57 177.03 1nvl h GLU 78 N -0.54 -0.45 -0.71 1.57 4.81 -0.34 0.28 114.58 119.20 1nvl h GLU 78 Ca 0.04 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.40 1nvl h GLU 78 Cb 0.58 0.10 -0.12 0.00 0.63 0.00 0.00 28.75 29.94 1nvl h GLU 78 CO -0.20 -0.30 -0.41 0.93 -0.73 0.00 0.00 179.01 178.30 1nvl h GLU 79 N -0.46 -0.13 0.23 1.92 4.39 0.00 0.26 114.58 120.78 1nvl h GLU 79 Ca 0.07 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1nvl h GLU 79 Cb 0.63 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1nvl h GLU 79 CO -0.53 -0.09 -0.33 -0.07 -1.16 0.00 0.00 179.01 176.83 1nvl h LEU 80 N -0.14 -0.95 -0.69 1.33 3.38 0.67 0.25 115.31 119.16 1nvl h LEU 80 Ca 0.23 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.36 1nvl h LEU 80 Cb 0.56 0.33 -0.10 0.00 0.09 0.00 0.00 40.66 41.53 1nvl h LEU 80 CO -0.78 -0.40 -0.55 0.50 0.09 0.00 0.00 178.44 177.30 1nvl h LYS 81 N -0.58 -0.20 -0.40 1.13 3.64 0.47 0.62 116.57 121.25 1nvl h LYS 81 Ca -0.03 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1nvl h LYS 81 Cb 0.53 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.32 1nvl h LYS 81 CO -0.10 -0.13 -0.08 0.87 -2.27 0.00 0.00 179.45 177.74 1nvl h LYS 82 N -0.20 0.02 0.03 1.90 1.57 -0.21 0.44 116.57 120.11 1nvl h LYS 82 Ca 0.13 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1nvl h LYS 82 Cb 0.52 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1nvl h LYS 82 CO -0.76 0.01 -0.19 0.87 -0.57 0.00 0.00 179.45 178.81 1nvl h LYS 83 N 0.02 -0.31 0.00 3.15 1.57 0.78 -3.35 116.57 118.43 1nvl h LYS 83 Ca 0.19 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1nvl h LYS 83 Cb 0.29 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1nvl h LYS 83 CO -0.40 -0.21 0.00 0.66 -0.57 0.00 0.00 179.45 178.94 1nvl n TYR 84 N -5.32 0.00 0.00 -1.35 4.02 0.08 -5.06 117.16 109.53 1nvl n TYR 84 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 1nvl n TYR 84 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 1nvl n TYR 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nvl n GLY 85 N 2.66 0.83 0.00 2.72 0.00 0.15 -5.05 105.19 106.50 1nvl n GLY 85 Ca 0.00 -0.41 0.16 0.00 0.00 0.00 0.00 46.02 45.77 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83