#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snl n LYS 2 N 0.00 0.00 -1.87 1.47 4.76 -1.26 -1.76 118.16 119.50 1snl n LYS 2 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 1snl n LYS 2 Cb 0.00 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.14 1snl n LYS 2 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1snl n GLU 3 N 0.00 1.78 -0.49 1.97 2.13 -1.26 -4.03 120.64 120.74 1snl n GLU 3 Ca 0.00 -2.40 0.00 0.00 0.66 0.00 0.00 57.16 55.42 1snl n GLU 3 Cb 0.00 -3.48 0.00 0.00 0.27 0.00 0.00 31.44 28.23 1snl n GLU 3 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1snl n VAL 4 N 7.11 0.00 -2.86 6.31 0.31 -1.12 -4.05 118.33 124.04 1snl n VAL 4 Ca 0.47 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.77 1snl n VAL 4 Cb 0.45 -0.49 -0.02 0.00 -0.91 0.00 0.00 33.84 32.87 1snl n VAL 4 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38 1snl n TRP 5 N -1.79 -2.32 0.00 3.52 -0.00 -0.72 -4.97 117.44 111.17 1snl n TRP 5 Ca 0.00 1.29 0.00 0.00 -0.00 0.00 0.00 57.50 58.79 1snl n TRP 5 Cb 0.03 -2.55 0.00 0.00 -0.00 0.00 0.00 31.31 28.78 1snl n TRP 5 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84 1snl n GLU 6 N 1.87 0.51 -1.96 5.87 0.28 -1.26 -5.11 120.64 120.84 1snl n GLU 6 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 1snl n GLU 6 Cb 0.33 -0.11 0.00 0.00 1.43 0.00 0.00 31.44 33.09 1snl n GLU 6 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1snl n GLU 7 N -0.31 -5.48 -2.72 3.44 2.13 -1.26 -5.02 120.64 111.42 1snl n GLU 7 Ca 0.00 3.94 -0.08 0.00 0.66 0.00 0.00 57.16 61.69 1snl n GLU 7 Cb 0.00 -4.33 0.08 0.00 0.27 0.00 0.00 31.44 27.46 1snl n GLU 7 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1snl n LEU 8 N 0.70 -2.29 -0.24 4.31 0.00 -1.26 -5.00 117.00 113.21 1snl n LEU 8 Ca 0.00 -3.19 0.05 0.00 0.00 0.00 0.00 56.01 52.86 1snl n LEU 8 Cb 0.00 0.89 0.17 0.00 0.00 0.00 0.00 43.42 44.47 1snl n LEU 8 CO 0.00 1.95 0.94 -2.24 0.00 0.00 0.00 177.39 178.05 1snl h ASP 9 N 3.20 0.06 0.00 1.96 2.03 -2.04 -3.41 116.42 118.22 1snl h ASP 9 Ca -0.15 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1snl h ASP 9 Cb 1.10 0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1snl h ASP 9 CO 0.15 -0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.96 1snl n GLY 10 N -1.34 -1.00 0.00 7.15 0.00 -1.26 -5.18 105.19 103.57 1snl n GLY 10 Ca 0.13 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1snl n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1snl n LEU 11 N 0.00 0.00 -3.62 0.99 4.77 -1.26 -4.96 117.00 112.92 1snl n LEU 11 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1snl n LEU 11 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1snl n LEU 11 CO 0.00 0.00 -0.09 -0.67 -1.33 0.00 0.00 177.39 175.30 1snl n ASP 12 N -1.83 -5.56 0.00 -1.43 -0.08 -1.26 -4.76 116.55 101.64 1snl n ASP 12 Ca 0.00 -0.77 0.06 0.00 -1.51 0.00 0.00 54.79 52.57 1snl n ASP 12 Cb 0.00 -2.67 0.33 0.00 2.34 0.00 0.00 41.12 41.12 1snl n ASP 12 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1snl n PRO 13 N -2.66 0.29 -3.09 -0.67 -0.04 -1.26 -4.93 135.00 122.65 1snl n PRO 13 Ca -0.22 0.07 -0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1snl n PRO 13 Cb 0.63 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1snl n PRO 13 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1snl n ASN 14 N -1.12 -6.80 -3.52 3.54 5.15 -1.26 -5.01 115.26 106.24 1snl n ASN 14 Ca 0.08 0.75 -0.16 0.00 -0.60 0.00 0.00 54.58 54.65 1snl n ASN 14 Cb 0.06 -1.95 -0.06 0.00 -0.53 0.00 0.00 39.78 37.31 1snl n ASN 14 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1snl s ARG 15 N -0.57 0.99 2.33 1.20 1.70 -1.26 -5.13 118.95 118.20 1snl s ARG 15 Ca -0.02 0.18 0.00 0.00 -0.47 0.00 0.00 55.73 55.43 1snl s ARG 15 Cb 0.00 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.85 1snl s ARG 15 CO 0.08 -0.32 0.00 0.34 -1.08 0.00 0.00 175.30 174.32 1snl n PHE 16 N 0.77 -1.27 -2.69 5.89 7.35 -1.26 -4.83 117.46 121.42 1snl n PHE 16 Ca -0.17 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.48 1snl n PHE 16 Cb 0.58 0.21 0.04 0.00 0.35 0.00 0.00 39.48 40.65 1snl n PHE 16 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1snl n ASN 17 N -3.11 -1.96 0.23 -2.13 2.04 -1.26 -5.01 115.26 104.06 1snl n ASN 17 Ca 0.00 -1.64 0.15 0.00 -0.44 0.00 0.00 54.58 52.66 1snl n ASN 17 Cb 0.00 1.02 0.81 0.00 -2.53 0.00 0.00 39.78 39.08 1snl n ASN 17 CO 0.00 0.00 0.00 -0.65 -0.44 0.00 0.00 177.26 176.17 1snl h PRO 18 N 4.21 0.00 -0.38 -0.53 0.11 -2.02 -2.45 132.00 130.95 1snl h PRO 18 Ca -0.03 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 1snl h PRO 18 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1snl h PRO 18 CO -0.07 0.00 -0.16 -0.22 -0.21 0.00 0.00 178.00 177.34 1snl h LYS 19 N 0.00 0.70 -0.10 1.05 3.64 -2.01 -3.00 116.57 116.86 1snl h LYS 19 Ca 0.00 -0.24 -0.20 0.00 -1.27 0.00 0.00 60.65 58.94 1snl h LYS 19 Cb 0.05 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1snl h LYS 19 CO 0.00 0.82 -0.72 1.15 -2.27 0.00 0.00 179.45 178.43 1snl h THR 20 N 0.62 1.32 -0.70 1.00 2.02 -1.87 -2.97 112.91 112.33 1snl h THR 20 Ca 0.10 -1.98 0.12 0.00 0.77 0.00 0.00 66.41 65.42 1snl h THR 20 Cb 0.63 2.18 -0.05 0.00 -1.74 0.00 0.00 68.15 69.17 1snl h THR 20 CO 0.04 0.61 0.47 0.15 0.37 0.00 0.00 175.52 177.16 1snl h PHE 21 N 0.31 0.50 -0.26 3.16 3.04 -1.65 0.18 116.94 122.22 1snl h PHE 21 Ca -0.06 0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.78 1snl h PHE 21 Cb 1.37 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.71 1snl h PHE 21 CO 0.10 0.21 -0.36 0.35 -2.02 0.00 0.00 178.31 176.60 1snl h PHE 22 N 0.45 0.68 0.39 0.41 3.04 -1.41 -2.33 116.94 118.18 1snl h PHE 22 Ca 0.33 -0.19 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 1snl h PHE 22 Cb 0.69 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.05 1snl h PHE 22 CO -0.00 0.86 -0.19 0.82 -2.02 0.00 0.00 178.31 177.78 1snl h ILE 23 N 0.49 0.00 -1.07 1.41 2.04 -0.56 -2.54 117.51 117.28 1snl h ILE 23 Ca 0.05 -0.51 0.30 0.00 1.00 0.00 0.00 64.86 65.71 1snl h ILE 23 Cb 0.85 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.81 1snl h ILE 23 CO 0.07 0.00 0.66 0.25 0.00 0.00 0.00 178.15 179.13 1snl h LEU 24 N -1.04 0.48 -0.47 1.44 5.85 -1.22 1.33 115.31 121.68 1snl h LEU 24 Ca -0.05 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1snl h LEU 24 Cb 0.41 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1snl h LEU 24 CO 0.09 -0.01 0.00 0.45 -0.34 0.00 0.00 178.44 178.63 1snl h HIS 25 N 0.36 0.00 -1.19 1.25 3.86 -1.41 -3.39 115.15 114.63 1snl h HIS 25 Ca 0.68 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 59.33 1snl h HIS 25 Cb 1.67 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 30.05 1snl h HIS 25 CO -0.01 0.00 1.37 0.34 0.86 0.00 0.00 177.93 180.50 1snl s ASP 26 N -4.84 6.30 0.03 2.45 -1.08 0.46 -4.80 116.67 115.19 1snl s ASP 26 Ca 0.06 -1.25 -0.18 0.00 -0.52 0.00 0.00 52.55 50.66 1snl s ASP 26 Cb 0.10 -2.57 -0.23 0.00 -1.46 0.00 0.00 42.92 38.76 1snl s ASP 26 CO 0.53 -1.69 1.13 0.40 0.52 0.00 0.00 175.17 176.06 1snl h ILE 27 N 6.79 1.38 -0.54 4.11 2.04 -1.80 -3.24 117.51 126.25 1snl h ILE 27 Ca 0.14 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 63.89 1snl h ILE 27 Cb 1.01 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 1snl h ILE 27 CO 1.39 0.63 0.00 -3.20 0.00 0.00 0.00 178.15 176.97 1snl n ASN 28 N -4.12 3.48 -4.08 1.72 4.05 -1.26 -4.94 115.26 110.10 1snl n ASN 28 Ca -0.10 -2.19 -0.32 0.00 0.45 0.00 0.00 54.58 52.41 1snl n ASN 28 Cb 0.73 -0.45 -0.03 0.00 1.23 0.00 0.00 39.78 41.25 1snl n ASN 28 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1snl n SER 29 N 0.99 -1.14 -0.51 1.20 3.41 -1.23 -4.82 113.62 111.51 1snl n SER 29 Ca 0.20 -1.17 0.12 0.00 -0.26 0.00 0.00 58.87 57.76 1snl n SER 29 Cb 0.61 -2.29 0.13 0.00 -0.26 0.00 0.00 64.21 62.41 1snl n SER 29 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1snl n ASP 30 N -2.75 1.93 0.00 4.04 2.03 -1.26 -4.92 116.55 115.61 1snl n ASP 30 Ca -0.26 -1.46 0.00 0.00 0.52 0.00 0.00 54.79 53.60 1snl n ASP 30 Cb 0.66 0.30 0.00 0.00 -0.72 0.00 0.00 41.12 41.36 1snl n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1snl n GLY 31 N 1.38 1.08 3.11 0.27 0.00 -1.26 -4.97 105.19 104.80 1snl n GLY 31 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1snl n GLY 31 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1snl s VAL 32 N -3.43 0.15 -0.14 1.61 -7.23 -1.26 -3.94 120.40 106.17 1snl s VAL 32 Ca 0.00 -1.25 -0.00 0.00 -1.81 0.00 0.00 61.98 58.92 1snl s VAL 32 Cb 0.00 -1.05 -0.01 0.00 0.56 0.00 0.00 36.38 35.88 1snl s VAL 32 CO 0.00 -0.69 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.21 1snl s LEU 33 N -2.35 2.68 0.49 1.32 1.43 -1.04 -4.96 118.68 116.25 1snl s LEU 33 Ca -0.02 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 52.80 1snl s LEU 33 Cb 0.01 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.64 1snl s LEU 33 CO -0.06 0.15 0.47 1.51 0.23 0.00 0.00 176.35 178.64 1snl s ASP 34 N 0.47 4.96 0.11 2.29 -4.77 -1.26 -2.81 116.67 115.65 1snl s ASP 34 Ca -0.10 -0.91 0.04 0.00 -3.30 0.00 0.00 52.55 48.29 1snl s ASP 34 Cb -0.16 -0.10 0.24 0.00 -1.09 0.00 0.00 42.92 41.81 1snl s ASP 34 CO 0.05 -0.93 0.97 -0.62 0.70 0.00 0.00 175.17 175.34 1snl n GLU 35 N -1.76 0.03 0.05 2.11 1.02 -1.26 -0.43 120.64 120.41 1snl n GLU 35 Ca 0.04 0.39 -0.22 0.00 -0.02 0.00 0.00 57.16 57.36 1snl n GLU 35 Cb 0.62 -1.83 -0.15 0.00 -0.02 0.00 0.00 31.44 30.07 1snl n GLU 35 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1snl h GLN 36 N 0.00 0.32 0.00 3.49 1.08 -1.94 -0.08 115.11 117.98 1snl h GLN 36 Ca 0.00 -0.55 -0.14 0.00 -1.45 0.00 0.00 58.65 56.50 1snl h GLN 36 Cb 0.46 0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 1snl h GLN 36 CO 0.00 1.27 -0.67 0.93 -0.95 0.00 0.00 178.83 179.41 1snl h GLU 37 N -0.21 0.00 0.23 1.46 3.07 -1.11 -1.48 114.58 116.54 1snl h GLU 37 Ca -0.25 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.27 1snl h GLU 37 Cb 1.82 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 29.76 1snl h GLU 37 CO 0.14 0.67 -1.59 -0.07 -1.40 0.00 0.00 179.01 176.75 1snl h LEU 38 N 0.00 0.77 -0.52 1.33 4.07 -1.43 -2.85 115.31 116.67 1snl h LEU 38 Ca -0.01 -0.93 -0.15 0.00 0.08 0.00 0.00 57.88 56.87 1snl h LEU 38 Cb 1.19 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 1snl h LEU 38 CO 0.09 1.75 -0.46 -0.08 -1.08 0.00 0.00 178.44 178.66 1snl h GLU 39 N 0.13 0.68 0.00 1.13 4.81 -1.01 -2.97 114.58 117.35 1snl h GLU 39 Ca -0.29 -0.38 -0.12 0.00 -0.13 0.00 0.00 59.36 58.43 1snl h GLU 39 Cb 2.15 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.53 1snl h GLU 39 CO 0.24 1.00 -0.58 0.00 -0.73 0.00 0.00 179.01 178.94 1snl h ALA 40 N 0.94 0.89 0.00 2.92 0.00 -1.38 -3.01 119.26 119.64 1snl h ALA 40 Ca 0.03 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 1snl h ALA 40 Cb 1.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1snl h ALA 40 CO 0.09 0.72 -0.64 -0.07 0.00 0.00 0.00 179.25 179.36 1snl h LEU 41 N 0.00 0.00 0.11 0.00 4.07 -1.40 -2.78 115.31 115.31 1snl h LEU 41 Ca -0.01 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.78 1snl h LEU 41 Cb 1.13 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.88 1snl h LEU 41 CO 0.08 0.64 -0.77 -0.26 -1.08 0.00 0.00 178.44 177.04 1snl h PHE 42 N 0.00 0.44 0.11 1.13 0.04 -1.50 -2.92 116.94 114.24 1snl h PHE 42 Ca -0.01 -0.32 -0.01 0.00 2.80 0.00 0.00 57.97 60.44 1snl h PHE 42 Cb 1.30 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.43 1snl h PHE 42 CO 0.00 1.30 -0.05 1.15 -0.60 0.00 0.00 178.31 180.10 1snl h THR 43 N -0.47 1.00 -0.16 -1.55 2.02 -1.62 -2.88 112.91 109.25 1snl h THR 43 Ca -0.14 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 1snl h THR 43 Cb 1.55 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 1snl h THR 43 CO 0.11 0.10 -0.02 0.07 0.37 0.00 0.00 175.52 176.15 1snl h LYS 44 N -0.35 0.30 -0.42 6.66 2.10 -1.65 -2.51 116.57 120.71 1snl h LYS 44 Ca -0.02 -0.11 0.12 0.00 -2.00 0.00 0.00 60.65 58.65 1snl h LYS 44 Cb 0.29 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.58 1snl h LYS 44 CO 0.03 0.56 0.38 0.93 -2.00 0.00 0.00 179.45 179.34 1snl h GLU 45 N 0.02 0.00 0.00 0.07 5.08 -1.57 0.72 114.58 118.90 1snl h GLU 45 Ca 0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1snl h GLU 45 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1snl h GLU 45 CO 0.01 0.00 -0.34 1.25 -1.00 0.00 0.00 179.01 178.93 1snl h LEU 46 N 0.00 0.00 -1.11 1.33 5.85 -1.23 -3.18 115.31 116.98 1snl h LEU 46 Ca 0.20 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1snl h LEU 46 Cb 0.95 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1snl h LEU 46 CO -0.00 0.34 0.12 -0.33 -0.34 0.00 0.00 178.44 178.23 1snl h GLU 47 N 0.00 0.75 -1.45 1.25 4.39 0.74 -2.72 114.58 117.53 1snl h GLU 47 Ca -0.00 -0.15 -0.35 0.00 0.34 0.00 0.00 59.36 59.21 1snl h GLU 47 Cb 1.09 -0.12 -0.15 0.00 -0.10 0.00 0.00 28.75 29.47 1snl h GLU 47 CO 0.04 0.68 0.45 0.36 -1.16 0.00 0.00 179.01 179.38 1snl n LYS 48 N -4.29 1.86 0.16 2.33 2.85 -1.20 -3.48 118.16 116.38 1snl n LYS 48 Ca 0.03 -1.69 0.00 0.00 -1.05 0.00 0.00 58.31 55.60 1snl n LYS 48 Cb 0.22 -1.66 0.00 0.00 -0.65 0.00 0.00 35.03 32.93 1snl n LYS 48 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1snl n VAL 49 N 0.21 0.00 0.98 0.58 0.31 -1.04 -4.89 118.33 114.49 1snl n VAL 49 Ca 0.32 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.78 1snl n VAL 49 Cb 0.62 -0.33 0.41 0.00 -0.91 0.00 0.00 33.84 33.63 1snl n VAL 49 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1snl n TYR 50 N -3.35 0.03 -2.98 3.52 4.01 -1.12 -5.00 117.16 112.27 1snl n TYR 50 Ca 0.00 0.01 -0.03 0.00 -0.16 0.00 0.00 57.90 57.72 1snl n TYR 50 Cb 0.00 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.65 1snl n TYR 50 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1snl n ASP 51 N -1.53 -7.27 -0.03 7.72 8.00 -1.23 -4.64 116.55 117.57 1snl n ASP 51 Ca 0.06 0.84 0.00 0.00 0.71 0.00 0.00 54.79 56.41 1snl n ASP 51 Cb 0.34 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 37.89 1snl n ASP 51 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1snl n PRO 52 N 0.82 0.17 -0.93 -0.24 -0.02 -1.26 -2.34 135.00 131.19 1snl n PRO 52 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 1snl n PRO 52 Cb 0.28 -1.01 0.18 0.00 -0.02 0.00 0.00 33.50 32.94 1snl n PRO 52 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1snl n LYS 53 N -0.44 1.98 0.00 -0.52 5.02 -1.26 -4.47 118.16 118.47 1snl n LYS 53 Ca 0.00 -3.25 0.00 0.00 -2.02 0.00 0.00 58.31 53.04 1snl n LYS 53 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 1snl n LYS 53 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1snl n ASN 54 N -1.10 0.34 -3.62 4.39 4.05 -0.99 -5.09 115.26 113.24 1snl n ASN 54 Ca 0.37 -1.12 -0.08 0.00 0.45 0.00 0.00 54.58 54.20 1snl n ASN 54 Cb 1.05 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 42.00 1snl n ASN 54 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 1snl s GLU 55 N -0.12 0.41 0.00 1.20 -1.05 -1.26 -5.00 118.70 112.88 1snl s GLU 55 Ca 0.00 0.33 0.14 0.00 -0.15 0.00 0.00 54.97 55.29 1snl s GLU 55 Cb 0.00 0.20 0.76 0.00 -0.44 0.00 0.00 34.13 34.65 1snl s GLU 55 CO 0.00 -0.08 1.50 0.39 0.95 0.00 0.00 175.26 178.02 1snl n GLU 56 N 1.56 1.15 0.00 -4.83 4.71 -1.26 -3.98 120.64 117.98 1snl n GLU 56 Ca -0.10 -0.22 0.00 0.00 -0.01 0.00 0.00 57.16 56.82 1snl n GLU 56 Cb 0.57 -1.24 0.00 0.00 -1.01 0.00 0.00 31.44 29.76 1snl n GLU 56 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1snl n ASP 57 N -0.50 0.00 -2.25 1.62 -0.08 -1.26 -4.71 116.55 109.38 1snl n ASP 57 Ca 0.11 0.19 -0.12 0.00 -1.51 0.00 0.00 54.79 53.46 1snl n ASP 57 Cb 0.10 -0.19 -0.01 0.00 2.34 0.00 0.00 41.12 43.35 1snl n ASP 57 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1snl n ASP 58 N -1.13 -3.75 -0.53 1.67 8.00 -1.26 -0.48 116.55 119.08 1snl n ASP 58 Ca 0.00 0.22 -0.04 0.00 0.71 0.00 0.00 54.79 55.68 1snl n ASP 58 Cb 0.07 -3.25 -0.02 0.00 -0.02 0.00 0.00 41.12 37.91 1snl n ASP 58 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1snl n MET 59 N -2.63 -1.67 0.10 -1.24 2.81 -1.26 -4.75 117.12 108.48 1snl n MET 59 Ca -0.14 0.36 -0.12 0.00 -1.81 0.00 0.00 57.70 55.99 1snl n MET 59 Cb 0.57 -4.08 -0.08 0.00 -0.71 0.00 0.00 33.22 28.93 1snl n MET 59 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1snl h ARG 60 N 0.00 -0.28 -0.84 0.03 2.43 -1.15 -2.14 114.38 112.43 1snl h ARG 60 Ca -0.08 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1snl h ARG 60 Cb 0.51 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1snl h ARG 60 CO 0.12 0.10 0.54 1.49 -1.51 0.00 0.00 179.97 180.71 1snl h GLU 61 N -0.75 1.11 0.00 0.20 4.57 -1.86 -0.47 114.58 117.38 1snl h GLU 61 Ca -0.03 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1snl h GLU 61 Cb 0.50 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1snl h GLU 61 CO 0.05 0.74 0.00 -0.12 -1.18 0.00 0.00 179.01 178.50 1snl n MET 62 N -4.49 0.04 0.00 1.92 1.56 -1.22 -3.31 117.12 111.62 1snl n MET 62 Ca 0.09 0.20 0.00 0.00 -0.27 0.00 0.00 57.70 57.72 1snl n MET 62 Cb 0.02 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 33.89 1snl n MET 62 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 1snl n GLU 63 N -1.47 0.00 -0.20 2.12 -0.00 -0.19 -1.94 120.64 118.96 1snl n GLU 63 Ca 0.05 0.20 -0.00 0.00 -0.00 0.00 0.00 57.16 57.40 1snl n GLU 63 Cb 0.18 -1.69 0.11 0.00 -0.00 0.00 0.00 31.44 30.04 1snl n GLU 63 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1snl h GLU 64 N 0.00 0.42 0.00 3.44 5.08 -1.77 0.11 114.58 121.86 1snl h GLU 64 Ca 0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1snl h GLU 64 Cb 0.38 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1snl h GLU 64 CO 0.00 0.28 -0.23 0.93 -1.00 0.00 0.00 179.01 178.98 1snl h GLU 65 N 0.43 0.00 -0.86 2.33 5.08 -1.73 -2.70 114.58 117.13 1snl h GLU 65 Ca 0.31 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.73 1snl h GLU 65 Cb 0.36 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 1snl h GLU 65 CO -0.29 0.23 0.53 -0.09 -1.00 0.00 0.00 179.01 178.39 1snl h ARG 66 N 0.00 0.95 0.00 2.33 2.43 -0.94 -1.90 114.38 117.24 1snl h ARG 66 Ca -0.00 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 58.92 1snl h ARG 66 Cb 0.55 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1snl h ARG 66 CO 0.03 0.63 -0.96 1.37 -1.51 0.00 0.00 179.97 179.52 1snl h LEU 67 N 0.97 0.00 -1.29 3.80 8.10 -1.40 -2.79 115.31 122.70 1snl h LEU 67 Ca 0.37 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.36 1snl h LEU 67 Cb 0.16 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.35 1snl h LEU 67 CO -0.17 0.84 0.40 -0.09 -4.11 0.00 0.00 178.44 175.30 1snl h ARG 68 N 0.00 0.88 0.14 0.17 1.12 -1.05 -1.23 114.38 114.41 1snl h ARG 68 Ca -0.05 -0.07 -0.33 0.00 -1.11 0.00 0.00 59.98 58.42 1snl h ARG 68 Cb 1.68 -0.19 -0.00 0.00 -0.01 0.00 0.00 29.97 31.44 1snl h ARG 68 CO 0.10 0.61 -1.68 0.52 -3.11 0.00 0.00 179.97 176.42 1snl h MET 69 N 0.90 0.29 -0.76 0.20 0.00 -1.51 -2.85 114.93 111.19 1snl h MET 69 Ca 0.24 -0.50 -0.02 0.00 0.00 0.00 0.00 59.70 59.42 1snl h MET 69 Cb -0.04 0.19 -0.04 0.00 0.00 0.00 0.00 31.60 31.71 1snl h MET 69 CO -0.05 1.17 0.41 -0.09 0.00 0.00 0.00 176.91 178.35 1snl h ARG 70 N 0.08 1.07 0.00 1.72 2.43 -1.24 -2.08 114.38 116.37 1snl h ARG 70 Ca -0.30 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 58.66 1snl h ARG 70 Cb 2.05 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 31.38 1snl h ARG 70 CO 0.16 0.80 -0.44 0.93 -1.51 0.00 0.00 179.97 179.91 1snl h GLU 71 N 1.06 0.00 -1.00 0.20 3.07 -1.37 -2.69 114.58 113.85 1snl h GLU 71 Ca 0.27 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 59.26 1snl h GLU 71 Cb 0.05 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 27.87 1snl h GLU 71 CO -0.04 0.75 0.63 0.45 -1.40 0.00 0.00 179.01 179.40 1snl h HIS 72 N -1.00 1.11 0.03 4.33 3.86 -1.59 0.72 115.15 122.62 1snl h HIS 72 Ca -0.11 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1snl h HIS 72 Cb 0.90 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1snl h HIS 72 CO 0.13 0.40 -0.01 0.28 0.86 0.00 0.00 177.93 179.59 1snl h VAL 73 N 0.93 1.41 0.00 2.45 2.07 -1.52 -2.88 116.25 118.72 1snl h VAL 73 Ca 0.51 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1snl h VAL 73 Cb 0.59 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1snl h VAL 73 CO -0.29 0.41 0.00 0.23 0.02 0.00 0.00 177.57 177.94 1snl n MET 74 N -4.76 0.19 0.03 1.57 2.00 -1.00 -0.02 117.12 115.13 1snl n MET 74 Ca -0.09 0.47 -0.12 0.00 0.00 0.00 0.00 57.70 57.97 1snl n MET 74 Cb 0.34 -1.90 -0.14 0.00 0.00 0.00 0.00 33.22 31.53 1snl n MET 74 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1snl h LYS 75 N 0.00 0.10 0.00 0.03 3.64 0.47 -3.32 116.57 117.50 1snl h LYS 75 Ca 0.00 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 1snl h LYS 75 Cb 0.29 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1snl h LYS 75 CO 0.00 0.89 -1.45 0.27 -2.27 0.00 0.00 179.45 176.89 1snl n ASN 76 N -3.30 2.99 -0.06 4.20 2.04 -1.06 -4.75 115.26 115.33 1snl n ASN 76 Ca -0.13 0.00 -0.18 0.00 -0.44 0.00 0.00 54.58 53.83 1snl n ASN 76 Cb 1.02 1.17 -0.13 0.00 -2.53 0.00 0.00 39.78 39.30 1snl n ASN 76 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1snl n VAL 77 N -1.97 1.61 -1.87 3.53 0.31 0.97 -4.75 118.33 116.16 1snl n VAL 77 Ca -0.05 -0.65 -0.39 0.00 -0.01 0.00 0.00 64.34 63.23 1snl n VAL 77 Cb 0.41 -1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 31.87 1snl n VAL 77 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1snl s ASP 78 N -6.61 5.17 -0.14 4.52 1.11 -1.22 -4.76 116.67 114.74 1snl s ASP 78 Ca -0.25 0.82 -0.20 0.00 0.18 0.00 0.00 52.55 53.10 1snl s ASP 78 Cb 0.08 -2.52 -0.18 0.00 1.07 0.00 0.00 42.92 41.37 1snl s ASP 78 CO 0.71 -2.36 0.49 0.71 1.18 0.00 0.00 175.17 175.90 1snl h THR 79 N 7.11 1.21 -0.73 -1.27 1.35 -1.90 -3.35 112.91 115.33 1snl h THR 79 Ca -0.28 -1.95 -0.18 0.00 -0.55 0.00 0.00 66.41 63.45 1snl h THR 79 Cb 1.20 2.33 -0.11 0.00 -1.73 0.00 0.00 68.15 69.84 1snl h THR 79 CO 1.15 0.41 0.23 -3.20 -0.25 0.00 0.00 175.52 173.86 1snl n ASN 80 N -4.63 5.08 -2.72 5.36 5.15 -1.26 -4.92 115.26 117.32 1snl n ASN 80 Ca -0.10 -3.17 -0.16 0.00 -0.60 0.00 0.00 54.58 50.56 1snl n ASN 80 Cb 0.37 -0.74 -0.03 0.00 -0.53 0.00 0.00 39.78 38.85 1snl n ASN 80 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1snl n GLN 81 N 0.01 -1.44 -0.14 1.20 1.13 -1.26 -4.65 117.38 112.25 1snl n GLN 81 Ca 0.39 0.05 0.03 0.00 -1.94 0.00 0.00 57.00 55.53 1snl n GLN 81 Cb 1.37 -2.93 0.09 0.00 0.11 0.00 0.00 30.24 28.88 1snl n GLN 81 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1snl n ASP 82 N -1.13 1.37 0.00 1.08 2.03 -1.26 -4.80 116.55 113.83 1snl n ASP 82 Ca 0.04 -2.06 0.00 0.00 0.52 0.00 0.00 54.79 53.29 1snl n ASP 82 Cb 0.30 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1snl n ASP 82 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1snl n ARG 83 N 0.11 0.00 -5.22 -0.67 1.74 -1.26 -4.89 116.66 106.47 1snl n ARG 83 Ca 0.07 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.84 1snl n ARG 83 Cb 0.25 -3.74 -0.16 0.00 -1.02 0.00 0.00 32.46 27.78 1snl n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1snl s LEU 84 N 0.00 2.05 -0.14 0.55 1.43 -1.26 -3.98 118.68 117.33 1snl s LEU 84 Ca 0.00 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1snl s LEU 84 Cb 0.00 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 1snl s LEU 84 CO 0.00 0.23 -0.09 -0.69 0.23 0.00 0.00 176.35 176.03 1snl s VAL 85 N -0.10 3.39 0.24 -1.59 1.01 -1.12 -4.86 120.40 117.36 1snl s VAL 85 Ca -0.05 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1snl s VAL 85 Cb -0.14 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1snl s VAL 85 CO 0.04 0.51 0.19 0.42 0.00 0.00 0.00 175.10 176.26 1snl s THR 86 N 0.39 4.48 0.37 3.92 -4.23 -1.26 -2.49 115.64 116.82 1snl s THR 86 Ca -0.08 -1.34 0.05 0.00 -1.18 0.00 0.00 61.69 59.14 1snl s THR 86 Cb -0.15 -3.40 0.27 0.00 1.34 0.00 0.00 72.50 70.56 1snl s THR 86 CO 0.04 -0.31 2.01 0.25 -0.54 0.00 0.00 174.62 176.08 1snl h LEU 87 N 1.63 0.63 0.16 4.79 5.85 -1.99 -1.67 115.31 124.72 1snl h LEU 87 Ca -0.48 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1snl h LEU 87 Cb 1.23 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1snl h LEU 87 CO 0.61 0.45 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.75 1snl h GLU 88 N 0.74 -0.21 -0.16 1.25 3.07 -1.94 -1.88 114.58 115.44 1snl h GLU 88 Ca 0.23 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.07 1snl h GLU 88 Cb 0.01 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1snl h GLU 88 CO -0.06 -0.14 -0.05 0.93 -1.40 0.00 0.00 179.01 178.29 1snl h GLU 89 N -0.23 0.24 0.18 2.33 4.39 -1.98 -2.91 114.58 116.60 1snl h GLU 89 Ca -0.02 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1snl h GLU 89 Cb 0.17 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1snl h GLU 89 CO 0.04 0.31 -0.09 0.35 -1.16 0.00 0.00 179.01 178.47 1snl h PHE 90 N 0.24 -0.22 -0.55 4.33 3.57 -1.29 -2.76 116.94 120.25 1snl h PHE 90 Ca 0.05 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.66 1snl h PHE 90 Cb 0.25 0.07 -0.09 0.00 2.79 0.00 0.00 35.95 38.97 1snl h PHE 90 CO 0.00 -0.08 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.92 1snl h LEU 91 N -0.31 -0.27 -0.69 0.59 3.38 -1.14 -0.57 115.31 116.30 1snl h LEU 91 Ca -0.02 0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.23 1snl h LEU 91 Cb 0.24 0.25 -0.13 0.00 0.09 0.00 0.00 40.66 41.11 1snl h LEU 91 CO 0.04 -0.10 -0.12 0.00 0.09 0.00 0.00 178.44 178.34 1snl h ALA 92 N 1.50 0.52 -0.24 1.53 0.00 -1.41 1.04 119.26 122.20 1snl h ALA 92 Ca 0.28 0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.52 1snl h ALA 92 Cb 0.44 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1snl h ALA 92 CO -0.48 -0.42 0.22 1.03 0.00 0.00 0.00 179.25 179.60 1snl h SER 93 N 0.03 0.00 0.02 0.00 0.87 -0.94 0.67 113.55 114.19 1snl h SER 93 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1snl h SER 93 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1snl h SER 93 CO -0.68 0.00 -0.68 0.35 -0.53 0.00 0.00 176.83 175.29 1snl n THR 94 N -4.08 0.00 -2.06 2.23 -2.24 0.30 -4.59 114.28 103.84 1snl n THR 94 Ca 0.03 -0.14 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 1snl n THR 94 Cb 0.36 1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.66 1snl n THR 94 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1snl s GLN 95 N -2.71 4.13 0.00 -0.78 -0.21 0.18 -1.57 119.66 118.70 1snl s GLN 95 Ca 0.14 2.21 0.00 0.00 0.02 0.00 0.00 55.36 57.73 1snl s GLN 95 Cb 0.17 -2.90 0.00 0.00 1.00 0.00 0.00 33.01 31.29 1snl s GLN 95 CO 0.70 -0.37 0.00 0.54 -2.12 0.00 0.00 175.29 174.03 1snl n ARG 96 N 0.42 -0.72 0.00 2.91 5.12 -1.26 -2.69 116.66 120.43 1snl n ARG 96 Ca 0.02 0.14 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 1snl n ARG 96 Cb 0.43 -4.00 0.00 0.00 -1.16 0.00 0.00 32.46 27.73 1snl n ARG 96 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1snl n LYS 97 N -0.58 0.00 -3.55 5.56 5.02 -0.61 -4.15 118.16 119.85 1snl n LYS 97 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1snl n LYS 97 Cb 0.14 -2.60 0.03 0.00 -0.02 0.00 0.00 35.03 32.58 1snl n LYS 97 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1snl n GLU 98 N -1.29 -1.34 0.00 1.97 4.07 -1.10 -4.89 120.64 118.07 1snl n GLU 98 Ca 0.00 0.76 0.00 0.00 -0.06 0.00 0.00 57.16 57.86 1snl n GLU 98 Cb 0.00 -4.18 0.00 0.00 -0.06 0.00 0.00 31.44 27.20 1snl n GLU 98 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41