#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 2.73 -3.42 3.23 5.02 -1.26 -5.06 118.16 119.40 1snl n LYS 2 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 1snl n LYS 2 Cb 0.00 -0.23 0.03 0.00 -0.02 0.00 0.00 35.03 34.81 1snl n LYS 2 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1snl n GLU 3 N 0.00 -1.50 0.00 1.97 4.07 -1.26 -4.98 120.64 118.94 1snl n GLU 3 Ca 0.00 0.91 0.00 0.00 -0.06 0.00 0.00 57.16 58.01 1snl n GLU 3 Cb 0.00 -4.69 0.00 0.00 -0.06 0.00 0.00 31.44 26.69 1snl n GLU 3 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1snl n VAL 4 N -3.02 0.00 -2.04 6.31 0.24 -1.26 -5.09 118.33 113.47 1snl n VAL 4 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1snl n VAL 4 Cb 0.58 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 1snl n VAL 4 CO 0.00 0.00 0.00 -2.67 -2.14 0.00 0.00 176.83 172.02 1snl n TRP 5 N 0.00 0.00 0.00 6.34 2.14 -1.26 -5.08 117.44 119.58 1snl n TRP 5 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1snl n TRP 5 Cb 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1snl n TRP 5 CO 0.00 0.00 0.00 -0.85 2.07 0.00 0.00 177.69 178.91 1snl n GLU 6 N 0.00 0.50 0.00 -2.67 0.28 -1.26 -5.04 120.64 112.46 1snl n GLU 6 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1snl n GLU 6 Cb 0.00 -0.05 0.00 0.00 1.43 0.00 0.00 31.44 32.82 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 -0.11 0.00 -2.02 3.44 0.00 -1.26 -2.28 120.64 118.41 1snl n GLU 7 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 1snl n GLU 7 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 31.44 31.50 1snl n GLU 7 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1snl n LEU 8 N 0.00 -0.79 -1.27 4.31 7.94 -1.26 -5.14 117.00 120.79 1snl n LEU 8 Ca 0.00 -2.12 0.15 0.00 -1.11 0.00 0.00 56.01 52.93 1snl n LEU 8 Cb 0.00 0.45 -0.07 0.00 0.53 0.00 0.00 43.42 44.34 1snl n LEU 8 CO 0.00 1.36 -0.44 -0.67 -1.11 0.00 0.00 177.39 176.53 1snl n ASP 9 N -0.78 -6.68 -1.06 1.96 2.03 -0.97 -4.00 116.55 107.05 1snl n ASP 9 Ca -0.10 1.00 -0.02 0.00 0.52 0.00 0.00 54.79 56.18 1snl n ASP 9 Cb 0.69 -4.21 0.07 0.00 -0.72 0.00 0.00 41.12 36.95 1snl n ASP 9 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1snl n GLY 10 N -3.97 2.22 0.00 0.27 0.00 -1.26 -4.54 105.19 97.91 1snl n GLY 10 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1snl n GLY 10 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1snl n LEU 11 N 0.13 0.00 -2.69 0.99 7.94 -1.26 -4.87 117.00 117.24 1snl n LEU 11 Ca 0.10 0.33 -0.06 0.00 -1.11 0.00 0.00 56.01 55.27 1snl n LEU 11 Cb 0.63 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.65 1snl n LEU 11 CO 0.11 0.00 0.48 -0.67 -1.11 0.00 0.00 177.39 176.20 1snl n ASP 12 N -0.35 -1.81 -0.13 1.96 2.03 -1.26 -5.02 116.55 111.98 1snl n ASP 12 Ca 0.00 -2.34 -0.09 0.00 0.52 0.00 0.00 54.79 52.88 1snl n ASP 12 Cb 0.00 1.16 -0.01 0.00 -0.72 0.00 0.00 41.12 41.55 1snl n ASP 12 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1snl h PRO 13 N 3.27 0.56 -6.69 -0.67 0.13 -1.86 -3.47 132.00 123.27 1snl h PRO 13 Ca -0.21 -0.10 -0.48 0.00 -0.87 0.00 0.00 66.00 64.34 1snl h PRO 13 Cb 1.15 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1snl h PRO 13 CO -0.00 0.53 -1.02 -1.71 -0.23 0.00 0.00 178.00 175.57 1snl n ASN 14 N -4.67 -4.91 -4.62 1.44 2.85 -1.26 -4.75 115.26 99.35 1snl n ASN 14 Ca -0.01 -0.98 -0.43 0.00 -0.11 0.00 0.00 54.58 53.06 1snl n ASN 14 Cb 0.14 -1.92 -0.03 0.00 1.24 0.00 0.00 39.78 39.21 1snl n ASN 14 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1snl s ARG 15 N -5.31 3.53 -0.30 1.20 0.52 -1.26 -4.91 118.95 112.43 1snl s ARG 15 Ca 0.10 1.84 -0.14 0.00 -0.52 0.00 0.00 55.73 57.02 1snl s ARG 15 Cb -0.05 -4.19 0.16 0.00 0.52 0.00 0.00 34.95 31.38 1snl s ARG 15 CO 0.90 -1.62 0.93 0.12 0.02 0.00 0.00 175.30 175.64 1snl s PHE 16 N 6.42 -0.81 -0.47 -0.53 5.36 -1.26 -5.10 117.98 121.59 1snl s PHE 16 Ca 0.84 1.37 0.05 0.00 -0.96 0.00 0.00 56.93 58.23 1snl s PHE 16 Cb -0.29 0.47 0.23 0.00 -0.34 0.00 0.00 43.02 43.09 1snl s PHE 16 CO 0.34 -0.40 0.90 -1.71 -1.46 0.00 0.00 175.22 172.89 1snl n ASN 17 N 5.08 -2.78 0.20 6.13 4.05 -1.26 -4.98 115.26 121.70 1snl n ASN 17 Ca -0.09 -2.90 0.13 0.00 0.45 0.00 0.00 54.58 52.17 1snl n ASN 17 Cb 0.52 1.62 0.67 0.00 1.23 0.00 0.00 39.78 43.82 1snl n ASN 17 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1snl h PRO 18 N 4.17 0.00 -0.71 1.20 0.11 -2.02 -2.40 132.00 132.35 1snl h PRO 18 Ca -0.10 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.08 1snl h PRO 18 Cb 1.08 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 1snl h PRO 18 CO 0.16 0.00 0.47 -0.22 -0.21 0.00 0.00 178.00 178.20 1snl h LYS 19 N 0.00 0.69 -0.35 1.05 3.64 -2.01 -2.12 116.57 117.47 1snl h LYS 19 Ca 0.00 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.17 1snl h LYS 19 Cb 0.10 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1snl h LYS 19 CO 0.00 0.46 -0.44 1.15 -2.27 0.00 0.00 179.45 178.35 1snl h THR 20 N 0.72 1.27 -0.17 1.00 2.02 -1.87 -2.93 112.91 112.95 1snl h THR 20 Ca 0.31 -1.62 0.04 0.00 0.77 0.00 0.00 66.41 65.91 1snl h THR 20 Cb 0.29 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 1snl h THR 20 CO -0.10 0.54 -0.07 0.15 0.37 0.00 0.00 175.52 176.41 1snl h PHE 21 N 0.73 -0.15 -0.80 3.16 3.04 -1.57 -0.25 116.94 121.10 1snl h PHE 21 Ca 0.05 0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.16 1snl h PHE 21 Cb 1.04 0.09 -0.06 0.00 2.56 0.00 0.00 35.95 39.59 1snl h PHE 21 CO 0.07 -0.11 0.53 0.35 -2.02 0.00 0.00 178.31 177.13 1snl h PHE 22 N -0.04 0.59 0.25 0.41 3.04 -1.44 -2.31 116.94 117.44 1snl h PHE 22 Ca 0.09 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1snl h PHE 22 Cb 0.17 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.50 1snl h PHE 22 CO -0.21 0.22 -0.12 0.82 -2.02 0.00 0.00 178.31 176.99 1snl h ILE 23 N 0.50 0.00 0.00 1.41 2.04 -0.96 -2.56 117.51 117.93 1snl h ILE 23 Ca 0.40 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1snl h ILE 23 Cb 0.83 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1snl h ILE 23 CO -0.15 0.00 0.44 -0.11 0.00 0.00 0.00 178.15 178.34 1snl n LEU 24 N -4.45 0.10 -0.01 1.44 7.94 -0.25 0.13 117.00 121.90 1snl n LEU 24 Ca -0.04 0.30 0.09 0.00 -1.11 0.00 0.00 56.01 55.26 1snl n LEU 24 Cb 0.13 -0.22 -0.13 0.00 0.53 0.00 0.00 43.42 43.73 1snl n LEU 24 CO 0.10 -0.34 -0.44 1.57 -1.11 0.00 0.00 177.39 177.17 1snl n HIS 25 N -1.59 0.00 -1.45 1.96 -0.00 -0.89 -4.68 115.22 108.57 1snl n HIS 25 Ca -0.00 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.75 1snl n HIS 25 Cb 0.45 -0.26 -0.03 0.00 -0.12 0.00 0.00 29.99 30.04 1snl n HIS 25 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1snl n ASP 26 N -1.87 3.21 -0.10 0.26 5.68 0.34 -4.73 116.55 119.33 1snl n ASP 26 Ca -0.01 -2.76 -0.06 0.00 -0.50 0.00 0.00 54.79 51.46 1snl n ASP 26 Cb 0.42 -1.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.01 1snl n ASP 26 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1snl h ILE 27 N 4.24 0.39 -0.27 2.12 2.04 -1.83 0.13 117.51 124.33 1snl h ILE 27 Ca 0.50 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.36 1snl h ILE 27 Cb 0.65 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1snl h ILE 27 CO 1.93 0.00 0.00 0.59 0.00 0.00 0.00 178.15 180.67 1snl n ASN 28 N -5.38 2.15 -4.30 1.72 5.03 -1.26 -4.90 115.26 108.31 1snl n ASN 28 Ca 0.01 -2.16 -0.32 0.00 0.87 0.00 0.00 54.58 52.98 1snl n ASN 28 Cb 0.29 -0.36 -0.08 0.00 -1.02 0.00 0.00 39.78 38.61 1snl n ASN 28 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1snl n SER 29 N 0.31 0.25 -0.64 6.41 2.88 0.46 -4.78 113.62 118.52 1snl n SER 29 Ca 0.10 -1.23 0.13 0.00 -1.33 0.00 0.00 58.87 56.55 1snl n SER 29 Cb 0.41 -1.83 0.39 0.00 -0.75 0.00 0.00 64.21 62.43 1snl n SER 29 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1snl n ASP 30 N -2.84 1.98 0.00 -3.46 2.03 -1.26 -4.89 116.55 108.11 1snl n ASP 30 Ca -0.25 -1.67 0.00 0.00 0.52 0.00 0.00 54.79 53.39 1snl n ASP 30 Cb 0.66 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 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 1.23 0.78 3.24 0.27 0.00 -1.26 -4.96 105.19 104.49 1snl n GLY 31 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.20 0.51 -0.28 1.61 -7.23 -1.26 -3.39 120.40 107.15 1snl s VAL 32 Ca 0.00 -1.97 -0.08 0.00 -1.81 0.00 0.00 61.98 58.12 1snl s VAL 32 Cb 0.00 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 1snl s VAL 32 CO 0.00 -0.34 0.10 -0.22 -0.31 0.00 0.00 175.10 174.33 1snl s LEU 33 N -3.18 3.78 0.52 1.32 1.98 -0.29 -4.90 118.68 117.91 1snl s LEU 33 Ca 0.28 -0.46 -0.02 0.00 -2.89 0.00 0.00 54.13 51.04 1snl s LEU 33 Cb 0.07 -1.94 0.01 0.00 0.66 0.00 0.00 46.19 44.98 1snl s LEU 33 CO 0.06 -0.13 0.77 -1.81 -1.89 0.00 0.00 176.35 173.35 1snl s ASP 34 N 1.58 5.67 0.09 3.68 1.01 -1.26 -2.60 116.67 124.84 1snl s ASP 34 Ca 0.05 0.42 -0.13 0.00 0.71 0.00 0.00 52.55 53.59 1snl s ASP 34 Cb -0.16 -1.53 -0.20 0.00 1.01 0.00 0.00 42.92 42.04 1snl s ASP 34 CO 0.04 -0.89 1.24 -0.08 0.21 0.00 0.00 175.17 175.69 1snl h GLU 35 N 0.14 0.73 0.00 8.23 4.57 -1.98 -1.92 114.58 124.35 1snl h GLU 35 Ca -0.45 -0.71 -0.01 0.00 -1.18 0.00 0.00 59.36 57.00 1snl h GLU 35 Cb 1.26 0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 30.03 1snl h GLU 35 CO 0.58 1.30 -0.07 -0.56 -1.18 0.00 0.00 179.01 179.08 1snl h GLN 36 N 0.45 0.00 0.06 1.92 -0.00 -1.95 0.88 115.11 116.47 1snl h GLN 36 Ca -0.10 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.27 1snl h GLN 36 Cb 1.59 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 29.05 1snl h GLN 36 CO 0.19 0.07 -1.45 0.93 -0.00 0.00 0.00 178.83 178.56 1snl h GLU 37 N 0.00 0.13 -0.00 0.06 5.08 -1.94 -3.05 114.58 114.86 1snl h GLU 37 Ca -0.00 -0.21 -0.19 0.00 -1.00 0.00 0.00 59.36 57.96 1snl h GLU 37 Cb 0.20 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1snl h GLU 37 CO 0.01 0.93 -0.84 1.25 -1.00 0.00 0.00 179.01 179.36 1snl h LEU 38 N 0.03 0.20 -0.46 1.33 5.85 -0.37 -1.68 115.31 120.22 1snl h LEU 38 Ca -0.20 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.26 1snl h LEU 38 Cb 1.95 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.91 1snl h LEU 38 CO 0.13 0.95 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.99 1snl h GLU 39 N 0.09 0.89 -0.07 1.25 4.81 0.65 -2.69 114.58 119.51 1snl h GLU 39 Ca -0.03 -0.34 -0.10 0.00 -0.13 0.00 0.00 59.36 58.75 1snl h GLU 39 Cb 1.46 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.80 1snl h GLU 39 CO 0.12 0.99 -0.36 0.00 -0.73 0.00 0.00 179.01 179.03 1snl h ALA 40 N 0.87 0.14 -0.07 2.92 0.00 -1.51 -2.99 119.26 118.62 1snl h ALA 40 Ca 0.12 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1snl h ALA 40 Cb 0.66 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1snl h ALA 40 CO 0.05 0.23 0.12 1.25 0.00 0.00 0.00 179.25 180.89 1snl h LEU 41 N -0.12 0.00 0.00 0.00 5.85 -1.31 -0.23 115.31 119.49 1snl h LEU 41 Ca -0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1snl h LEU 41 Cb 1.02 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1snl h LEU 41 CO 0.08 0.00 -0.01 -0.26 -0.34 0.00 0.00 178.44 177.91 1snl h PHE 42 N 0.00 0.00 -0.35 1.25 -1.00 -1.39 -2.33 116.94 113.12 1snl h PHE 42 Ca 0.03 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.77 1snl h PHE 42 Cb 0.28 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 1snl h PHE 42 CO 0.00 0.88 0.04 1.15 -1.61 0.00 0.00 178.31 178.77 1snl h THR 43 N -1.00 1.18 -0.04 -1.55 2.02 -1.29 -2.94 112.91 109.29 1snl h THR 43 Ca -0.00 -0.69 -0.07 0.00 0.77 0.00 0.00 66.41 66.41 1snl h THR 43 Cb 0.88 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1snl h THR 43 CO -0.00 0.24 -0.25 0.50 0.37 0.00 0.00 175.52 176.38 1snl h LYS 44 N 0.51 0.24 -0.47 6.66 3.64 -1.16 -2.65 116.57 123.34 1snl h LYS 44 Ca 0.11 -0.21 0.14 0.00 -1.27 0.00 0.00 60.65 59.42 1snl h LYS 44 Cb 0.27 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1snl h LYS 44 CO 0.00 0.87 0.41 1.49 -2.27 0.00 0.00 179.45 179.96 1snl h GLU 45 N -0.33 0.00 0.00 1.90 4.81 -1.30 0.16 114.58 119.82 1snl h GLU 45 Ca -0.02 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 1snl h GLU 45 Cb 0.93 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1snl h GLU 45 CO 0.05 0.00 -0.98 -0.07 -0.73 0.00 0.00 179.01 177.28 1snl h LEU 46 N 0.00 0.00 0.00 1.64 3.38 -1.43 -3.30 115.31 115.60 1snl h LEU 46 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1snl h LEU 46 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1snl h LEU 46 CO -0.00 0.58 0.00 -1.84 0.09 0.00 0.00 178.44 177.26 1snl n GLU 47 N -3.07 0.09 -2.65 1.13 -0.00 0.56 -1.98 120.64 114.72 1snl n GLU 47 Ca -0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 57.16 57.06 1snl n GLU 47 Cb 0.80 -1.27 0.04 0.00 -0.00 0.00 0.00 31.44 31.01 1snl n GLU 47 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1snl n LYS 48 N -0.77 2.10 0.13 3.44 2.85 -1.24 -4.88 118.16 119.78 1snl n LYS 48 Ca 0.01 -3.65 0.00 0.00 -1.05 0.00 0.00 58.31 53.62 1snl n LYS 48 Cb 0.01 -1.73 0.00 0.00 -0.65 0.00 0.00 35.03 32.66 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 -0.56 0.00 0.00 0.58 0.31 -0.84 -5.12 118.33 112.70 1snl n VAL 49 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1snl n VAL 49 Cb 0.83 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 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 -3.22 0.00 -2.72 3.52 4.01 -1.24 -5.10 117.16 112.42 1snl n TYR 50 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1snl n TYR 50 Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1snl n TYR 50 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1snl n ASP 51 N 0.00 -2.54 -0.05 7.72 5.75 -1.26 -4.98 116.55 121.19 1snl n ASP 51 Ca 0.00 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.50 1snl n ASP 51 Cb 0.00 1.35 0.00 0.00 -1.03 0.00 0.00 41.12 41.44 1snl n ASP 51 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 1snl n PRO 52 N 2.45 0.19 0.00 0.11 -0.02 -1.26 -2.41 135.00 134.05 1snl n PRO 52 Ca 0.13 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.75 1snl n PRO 52 Cb 0.61 -1.01 0.66 0.00 -0.02 0.00 0.00 33.50 33.75 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 -0.41 0.55 0.09 -0.52 4.76 -1.26 -3.31 118.16 118.06 1snl n LYS 53 Ca 0.00 -0.13 0.12 0.00 -2.87 0.00 0.00 58.31 55.43 1snl n LYS 53 Cb 0.00 -1.50 0.45 0.00 -1.84 0.00 0.00 35.03 32.15 1snl n LYS 53 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1snl n ASN 54 N -1.11 0.51 -4.06 4.39 5.03 -1.01 -4.89 115.26 114.12 1snl n ASN 54 Ca 0.14 0.59 -0.27 0.00 0.87 0.00 0.00 54.58 55.91 1snl n ASN 54 Cb 0.26 -0.72 -0.04 0.00 -1.02 0.00 0.00 39.78 38.27 1snl n ASN 54 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1snl n GLU 55 N -2.03 -2.68 0.06 3.52 1.02 -1.21 -4.63 120.64 114.69 1snl n GLU 55 Ca 0.04 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1snl n GLU 55 Cb 0.28 -4.31 0.00 0.00 -0.02 0.00 0.00 31.44 27.40 1snl n GLU 55 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1snl n GLU 56 N -4.45 0.00 0.31 3.49 2.13 -1.26 -4.89 120.64 115.98 1snl n GLU 56 Ca -0.30 0.00 0.17 0.00 0.66 0.00 0.00 57.16 57.69 1snl n GLU 56 Cb 0.68 0.00 0.93 0.00 0.27 0.00 0.00 31.44 33.32 1snl n GLU 56 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1snl h ASP 57 N 0.00 0.00 -0.85 4.31 3.32 -1.95 -3.44 116.42 117.82 1snl h ASP 57 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1snl h ASP 57 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1snl h ASP 57 CO 0.00 0.00 -0.09 0.47 -1.72 0.00 0.00 179.24 177.90 1snl n ASP 58 N -2.86 -2.54 -0.90 6.45 8.00 -1.26 -1.14 116.55 122.30 1snl n ASP 58 Ca -0.02 0.13 -0.08 0.00 0.71 0.00 0.00 54.79 55.53 1snl n ASP 58 Cb 0.24 -2.16 -0.03 0.00 -0.02 0.00 0.00 41.12 39.14 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 -0.68 -1.48 0.01 -1.24 2.81 -1.26 -4.74 117.12 110.54 1snl n MET 59 Ca -0.05 0.53 -0.20 0.00 -1.81 0.00 0.00 57.70 56.17 1snl n MET 59 Cb 0.27 -4.53 -0.14 0.00 -0.71 0.00 0.00 33.22 28.10 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 0.23 -0.34 0.03 2.43 -1.50 -3.24 114.38 111.98 1snl h ARG 60 Ca -0.16 -0.39 0.07 0.00 -0.81 0.00 0.00 59.98 58.70 1snl h ARG 60 Cb 0.66 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.28 1snl h ARG 60 CO 0.23 1.19 -0.17 0.93 -1.51 0.00 0.00 179.97 180.64 1snl h GLU 61 N -0.46 -0.11 0.00 0.20 5.08 -1.86 0.15 114.58 117.59 1snl h GLU 61 Ca -0.20 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1snl h GLU 61 Cb 1.59 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.87 1snl h GLU 61 CO 0.08 -0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 1snl n MET 62 N -5.35 0.04 -0.28 2.33 0.00 -1.26 -3.72 117.12 108.89 1snl n MET 62 Ca 0.01 0.23 0.29 0.00 0.00 0.00 0.00 57.70 58.24 1snl n MET 62 Cb 0.26 -1.50 0.45 0.00 0.00 0.00 0.00 33.22 32.43 1snl n MET 62 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1snl n GLU 63 N -1.45 0.01 0.15 3.17 0.28 0.52 0.14 120.64 123.46 1snl n GLU 63 Ca 0.04 0.93 0.19 0.00 -0.16 0.00 0.00 57.16 58.16 1snl n GLU 63 Cb 0.16 -2.28 0.78 0.00 1.43 0.00 0.00 31.44 31.53 1snl n GLU 63 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1snl h GLU 64 N 0.00 0.00 0.09 3.44 4.39 -1.78 -0.97 114.58 119.75 1snl h GLU 64 Ca 0.52 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 60.05 1snl h GLU 64 Cb 2.78 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 31.45 1snl h GLU 64 CO -0.01 0.00 -0.71 0.93 -1.16 0.00 0.00 179.01 178.06 1snl h GLU 65 N 0.00 0.33 -0.66 2.33 3.07 0.94 -2.14 114.58 118.46 1snl h GLU 65 Ca 0.14 -0.47 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1snl h GLU 65 Cb 0.81 0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.85 1snl h GLU 65 CO -0.00 1.18 0.42 0.00 -1.40 0.00 0.00 179.01 179.21 1snl h ARG 66 N -0.29 0.88 0.00 2.33 3.08 -1.34 -0.01 114.38 119.03 1snl h ARG 66 Ca -0.11 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.72 1snl h ARG 66 Cb 1.50 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 1snl h ARG 66 CO 0.14 0.61 -0.71 -0.07 -1.07 0.00 0.00 179.97 178.87 1snl h LEU 67 N 0.90 0.00 -0.17 3.04 3.38 -1.49 -0.14 115.31 120.83 1snl h LEU 67 Ca 0.24 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.98 1snl h LEU 67 Cb -0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.69 1snl h LEU 67 CO -0.05 0.71 -0.86 -0.09 0.09 0.00 0.00 178.44 178.24 1snl h ARG 68 N 0.00 0.64 0.06 1.13 9.65 -0.86 -2.59 114.38 122.40 1snl h ARG 68 Ca -0.01 -0.58 -0.22 0.00 -1.10 0.00 0.00 59.98 58.08 1snl h ARG 68 Cb 1.26 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.97 1snl h ARG 68 CO 0.09 1.19 -1.13 0.52 2.80 0.00 0.00 179.97 183.45 1snl h MET 69 N 0.41 0.12 -0.70 0.20 2.86 -1.03 -3.00 114.93 113.79 1snl h MET 69 Ca -0.07 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1snl h MET 69 Cb 1.49 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 33.19 1snl h MET 69 CO 0.17 1.10 0.45 -0.09 1.06 0.00 0.00 176.91 179.60 1snl h ARG 70 N -0.65 0.92 -0.01 1.72 2.43 -1.16 -1.56 114.38 116.08 1snl h ARG 70 Ca -0.27 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 58.78 1snl h ARG 70 Cb 1.48 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1snl h ARG 70 CO -0.04 0.62 -0.21 0.93 -1.51 0.00 0.00 179.97 179.76 1snl h GLU 71 N 0.95 0.17 -0.91 0.20 5.08 -1.61 -2.44 114.58 116.01 1snl h GLU 71 Ca 0.25 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1snl h GLU 71 Cb -0.09 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 1snl h GLU 71 CO -0.05 0.87 0.60 1.25 -1.00 0.00 0.00 179.01 180.68 1snl h HIS 72 N -0.48 1.08 0.22 4.33 2.76 -1.37 0.46 115.15 122.15 1snl h HIS 72 Ca -0.02 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1snl h HIS 72 Cb 0.94 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.54 1snl h HIS 72 CO 0.17 0.59 -0.11 0.28 -1.30 0.00 0.00 177.93 177.57 1snl h VAL 73 N 1.09 0.70 0.00 5.26 2.07 -1.34 0.19 116.25 124.22 1snl h VAL 73 Ca 0.38 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1snl h VAL 73 Cb 0.11 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1snl h VAL 73 CO -0.13 0.17 -0.04 0.24 0.02 0.00 0.00 177.57 177.83 1snl h MET 74 N -0.89 0.00 0.03 1.57 2.07 -1.29 0.60 114.93 117.03 1snl h MET 74 Ca -0.03 0.00 -0.32 0.00 -2.07 0.00 0.00 59.70 57.28 1snl h MET 74 Cb 0.51 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.19 1snl h MET 74 CO 0.05 0.04 -1.85 1.17 1.07 0.00 0.00 176.91 177.39 1snl n LYS 75 N -3.32 0.67 0.00 1.72 0.00 0.16 -3.10 118.16 114.28 1snl n LYS 75 Ca -0.02 0.27 0.10 0.00 0.00 0.00 0.00 58.31 58.66 1snl n LYS 75 Cb 0.18 -1.75 -0.10 0.00 0.00 0.00 0.00 35.03 33.36 1snl n LYS 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1snl n ASN 76 N -3.15 1.06 -0.01 3.14 5.03 0.67 -4.61 115.26 117.39 1snl n ASN 76 Ca -0.23 -1.03 -0.01 0.00 0.87 0.00 0.00 54.58 54.18 1snl n ASN 76 Cb 1.06 0.95 -0.01 0.00 -1.02 0.00 0.00 39.78 40.75 1snl n ASN 76 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1snl n VAL 77 N -1.34 0.10 -1.52 2.41 0.31 0.21 -4.94 118.33 113.56 1snl n VAL 77 Ca 0.04 -0.05 -0.54 0.00 -0.01 0.00 0.00 64.34 63.78 1snl n VAL 77 Cb 0.33 -0.82 -0.08 0.00 -0.91 0.00 0.00 33.84 32.37 1snl n VAL 77 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1snl n ASP 78 N -2.23 2.13 -0.03 4.52 -0.08 -1.18 -4.84 116.55 114.83 1snl n ASP 78 Ca -0.03 0.69 -0.02 0.00 -1.51 0.00 0.00 54.79 53.92 1snl n ASP 78 Cb 0.54 -1.19 -0.01 0.00 2.34 0.00 0.00 41.12 42.81 1snl n ASP 78 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1snl n THR 79 N 6.18 0.64 -1.17 5.18 5.66 -1.26 -4.62 114.28 124.88 1snl n THR 79 Ca 0.37 0.37 -0.03 0.00 -3.05 0.00 0.00 64.05 61.72 1snl n THR 79 Cb 0.17 -1.90 0.25 0.00 -1.55 0.00 0.00 70.33 67.30 1snl n THR 79 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1snl n ASN 80 N -3.32 3.78 -3.37 1.09 6.94 -1.26 -5.00 115.26 114.13 1snl n ASN 80 Ca -0.04 -3.36 -0.30 0.00 -0.02 0.00 0.00 54.58 50.87 1snl n ASN 80 Cb 0.13 -0.66 0.03 0.00 -2.36 0.00 0.00 39.78 36.92 1snl n ASN 80 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1snl n GLN 81 N -0.63 -1.99 -0.46 -3.83 1.13 -1.26 -4.92 117.38 105.43 1snl n GLN 81 Ca 0.35 1.54 0.00 0.00 -1.94 0.00 0.00 57.00 56.94 1snl n GLN 81 Cb 1.17 -3.00 0.00 0.00 0.11 0.00 0.00 30.24 28.52 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 -0.46 0.00 0.00 1.08 2.03 -1.26 -4.95 116.55 112.99 1snl n ASP 82 Ca -0.06 -1.70 0.00 0.00 0.52 0.00 0.00 54.79 53.56 1snl n ASP 82 Cb 0.63 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 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 0.00 0.00 -4.90 -0.67 1.74 -1.26 -4.87 116.66 106.71 1snl n ARG 83 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 1snl n ARG 83 Cb 0.64 -4.16 -0.16 0.00 -1.02 0.00 0.00 32.46 27.76 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 1.94 -0.13 0.55 1.02 -1.26 -3.94 118.68 116.87 1snl s LEU 84 Ca 0.00 -0.37 -0.00 0.00 0.02 0.00 0.00 54.13 53.77 1snl s LEU 84 Cb 0.00 -1.03 -0.02 0.00 0.02 0.00 0.00 46.19 45.17 1snl s LEU 84 CO 0.00 0.17 -0.13 -0.69 0.02 0.00 0.00 176.35 175.72 1snl s VAL 85 N -0.02 3.09 0.40 -1.59 1.01 -1.07 -4.84 120.40 117.39 1snl s VAL 85 Ca -0.03 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1snl s VAL 85 Cb -0.12 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1snl s VAL 85 CO 0.02 0.53 0.60 0.42 0.00 0.00 0.00 175.10 176.67 1snl s THR 86 N 0.30 4.35 0.18 3.92 -4.23 -1.26 -1.13 115.64 117.76 1snl s THR 86 Ca -0.10 -0.57 -0.07 0.00 -1.18 0.00 0.00 61.69 59.77 1snl s THR 86 Cb -0.16 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.10 1snl s THR 86 CO 0.05 -0.37 1.56 0.25 -0.54 0.00 0.00 174.62 175.58 1snl h LEU 87 N 0.58 0.88 0.05 4.79 7.12 -1.96 -1.98 115.31 124.80 1snl h LEU 87 Ca -0.47 -0.35 -0.00 0.00 0.13 0.00 0.00 57.88 57.18 1snl h LEU 87 Cb 1.24 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 1snl h LEU 87 CO 0.58 1.11 -0.02 -0.33 -0.13 0.00 0.00 178.44 179.64 1snl h GLU 88 N 0.73 -0.07 -0.39 1.25 4.39 -1.94 -2.08 114.58 116.47 1snl h GLU 88 Ca 0.08 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.89 1snl h GLU 88 Cb 0.83 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 1snl h GLU 88 CO 0.07 -0.04 0.28 0.93 -1.16 0.00 0.00 179.01 179.08 1snl h GLU 89 N -0.07 0.06 0.11 2.33 4.39 -1.98 -2.37 114.58 117.05 1snl h GLU 89 Ca -0.01 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1snl h GLU 89 Cb 0.05 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1snl h GLU 89 CO 0.01 0.04 -0.05 0.35 -1.16 0.00 0.00 179.01 178.20 1snl h PHE 90 N 0.06 -0.14 -0.98 4.33 3.57 -1.21 -2.20 116.94 120.37 1snl h PHE 90 Ca 0.18 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.86 1snl h PHE 90 Cb 0.65 0.05 -0.09 0.00 2.79 0.00 0.00 35.95 39.35 1snl h PHE 90 CO -0.00 0.00 0.61 -0.07 -2.23 0.00 0.00 178.31 176.63 1snl h LEU 91 N -0.25 0.75 0.52 0.59 3.38 -0.83 -2.27 115.31 117.20 1snl h LEU 91 Ca -0.02 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1snl h LEU 91 Cb 0.20 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1snl h LEU 91 CO 0.02 0.31 -0.37 0.00 0.09 0.00 0.00 178.44 178.50 1snl h ALA 92 N 1.61 -1.14 -0.39 1.53 0.00 -1.30 1.00 119.26 120.58 1snl h ALA 92 Ca 0.54 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.39 1snl h ALA 92 Cb 0.85 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1snl h ALA 92 CO -0.31 -1.12 0.88 1.03 0.00 0.00 0.00 179.25 179.73 1snl h SER 93 N -0.85 0.00 0.01 0.00 0.87 -1.01 0.23 113.55 112.80 1snl h SER 93 Ca -0.07 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.10 1snl h SER 93 Cb 0.69 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.59 1snl h SER 93 CO 0.04 0.00 -2.43 0.35 -0.53 0.00 0.00 176.83 174.26 1snl n THR 94 N -2.97 1.52 -3.69 2.23 -2.24 -0.42 -4.96 114.28 103.75 1snl n THR 94 Ca 0.08 -0.56 -0.12 0.00 -2.27 0.00 0.00 64.05 61.18 1snl n THR 94 Cb 1.01 -1.48 -0.12 0.00 -2.10 0.00 0.00 70.33 67.64 1snl n THR 94 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1snl s GLN 95 N -2.52 0.23 0.00 -0.78 0.74 0.33 -5.01 119.66 112.65 1snl s GLN 95 Ca -0.34 0.72 0.06 0.00 0.05 0.00 0.00 55.36 55.85 1snl s GLN 95 Cb 0.09 -0.01 0.09 0.00 1.10 0.00 0.00 33.01 34.28 1snl s GLN 95 CO 0.61 -0.22 1.03 -2.13 -0.55 0.00 0.00 175.29 174.03 1snl n ARG 96 N 4.83 0.00 -1.10 1.67 0.63 -1.24 -3.76 116.66 117.69 1snl n ARG 96 Ca -0.15 -1.20 -0.08 0.00 -0.92 0.00 0.00 57.85 55.49 1snl n ARG 96 Cb 0.52 -0.37 -0.04 0.00 0.45 0.00 0.00 32.46 33.01 1snl n ARG 96 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1snl n LYS 97 N 0.11 -1.59 -1.08 -0.14 5.02 -1.26 -4.77 118.16 114.45 1snl n LYS 97 Ca 0.01 0.62 -0.34 0.00 -2.02 0.00 0.00 58.31 56.58 1snl n LYS 97 Cb 0.80 -4.71 -0.03 0.00 -0.02 0.00 0.00 35.03 31.07 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 -0.87 2.15 0.00 1.97 4.07 -1.26 -5.33 120.64 121.37 1snl n GLU 98 Ca -0.08 -1.83 0.00 0.00 -0.06 0.00 0.00 57.16 55.19 1snl n GLU 98 Cb 0.41 -2.77 0.00 0.00 -0.06 0.00 0.00 31.44 29.01 1snl n GLU 98 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41