#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 -2.07 3.23 4.81 -1.26 -4.26 118.16 118.61 1snl n LYS 2 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1snl n LYS 2 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1snl n LYS 2 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1snl s GLU 3 N 0.00 3.92 0.00 1.64 2.02 -1.26 -4.84 118.70 120.19 1snl s GLU 3 Ca 0.00 1.86 0.23 0.00 0.02 0.00 0.00 54.97 57.08 1snl s GLU 3 Cb 0.00 -4.02 1.02 0.00 0.10 0.00 0.00 34.13 31.23 1snl s GLU 3 CO 0.00 -1.14 1.74 0.28 0.02 0.00 0.00 175.26 176.15 1snl n VAL 4 N 6.09 0.40 -3.78 2.63 0.31 -1.26 -4.70 118.33 118.02 1snl n VAL 4 Ca 0.18 0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.48 1snl n VAL 4 Cb 0.44 -0.71 -0.13 0.00 -0.91 0.00 0.00 33.84 32.53 1snl n VAL 4 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1snl s TRP 5 N -2.89 -0.18 -0.30 3.52 -0.00 -1.26 -5.13 118.94 112.70 1snl s TRP 5 Ca 0.14 0.48 -0.09 0.00 -0.00 0.00 0.00 56.10 56.63 1snl s TRP 5 Cb 0.15 -0.00 0.18 0.00 -0.00 0.00 0.00 33.47 33.79 1snl s TRP 5 CO 0.40 -0.13 0.88 -2.00 -0.00 0.00 0.00 176.95 176.09 1snl s GLU 6 N 0.67 0.35 -0.28 5.86 2.12 -1.26 -5.16 118.70 120.99 1snl s GLU 6 Ca -0.05 0.66 -0.23 0.00 0.36 0.00 0.00 54.97 55.72 1snl s GLU 6 Cb -0.06 0.38 0.12 0.00 0.26 0.00 0.00 34.13 34.82 1snl s GLU 6 CO -0.03 -0.32 0.99 -2.00 -0.54 0.00 0.00 175.26 173.35 1snl s GLU 7 N 2.84 0.50 -0.16 4.30 2.56 -1.26 -5.05 118.70 122.44 1snl s GLU 7 Ca 0.06 0.66 0.11 0.00 0.00 0.00 0.00 54.97 55.80 1snl s GLU 7 Cb -0.11 0.21 -0.18 0.00 2.00 0.00 0.00 34.13 36.05 1snl s GLU 7 CO -0.16 -0.07 0.01 -0.11 -0.56 0.00 0.00 175.26 174.38 1snl n LEU 8 N 2.66 0.50 -4.19 2.70 7.94 -1.26 -4.74 117.00 120.61 1snl n LEU 8 Ca -0.14 -0.02 -0.34 0.00 -1.11 0.00 0.00 56.01 54.41 1snl n LEU 8 Cb 0.56 0.20 -0.07 0.00 0.53 0.00 0.00 43.42 44.64 1snl n LEU 8 CO 0.02 0.45 1.69 0.47 -1.11 0.00 0.00 177.39 178.91 1snl n ASP 9 N -2.65 2.66 -2.93 1.96 8.00 -1.26 -4.45 116.55 117.88 1snl n ASP 9 Ca -0.26 -2.67 -0.13 0.00 0.71 0.00 0.00 54.79 52.44 1snl n ASP 9 Cb 0.97 -1.45 0.03 0.00 -0.02 0.00 0.00 41.12 40.65 1snl n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1snl n GLY 10 N 5.33 2.10 3.98 0.44 0.00 -1.26 -4.98 105.19 110.80 1snl n GLY 10 Ca 0.46 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 0.23 -1.86 -4.73 0.99 4.77 -1.26 -4.87 117.00 110.27 1snl n LEU 11 Ca 0.14 -1.10 -0.35 0.00 -0.03 0.00 0.00 56.01 54.68 1snl n LEU 11 Cb 0.70 -2.07 0.08 0.00 -2.33 0.00 0.00 43.42 39.80 1snl n LEU 11 CO 0.13 0.50 0.83 1.51 -1.33 0.00 0.00 177.39 179.03 1snl s ASP 12 N -4.08 4.37 0.24 -1.43 -4.77 -1.26 -4.88 116.67 104.86 1snl s ASP 12 Ca 0.17 2.44 -0.05 0.00 -3.30 0.00 0.00 52.55 51.80 1snl s ASP 12 Cb -0.07 -2.60 0.38 0.00 -1.09 0.00 0.00 42.92 39.54 1snl s ASP 12 CO 0.91 -2.15 1.80 -0.65 0.70 0.00 0.00 175.17 175.79 1snl h PRO 13 N 0.03 0.70 -1.87 2.11 0.10 -1.98 -1.09 132.00 130.00 1snl h PRO 13 Ca -0.49 -0.04 -0.22 0.00 0.10 0.00 0.00 66.00 65.35 1snl h PRO 13 Cb 1.31 -0.16 -0.09 0.00 0.10 0.00 0.00 31.00 32.16 1snl h PRO 13 CO 0.51 0.47 0.09 -1.71 0.10 0.00 0.00 178.00 177.46 1snl n ASN 14 N -4.78 5.83 -4.65 -2.05 2.85 -1.26 -4.94 115.26 106.25 1snl n ASN 14 Ca 0.13 -2.75 -0.46 0.00 -0.11 0.00 0.00 54.58 51.39 1snl n ASN 14 Cb 0.28 -1.20 -0.03 0.00 1.24 0.00 0.00 39.78 40.07 1snl n ASN 14 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1snl n ARG 15 N 1.30 1.88 0.00 1.20 1.85 -0.42 -4.66 116.66 117.82 1snl n ARG 15 Ca 0.27 0.67 0.00 0.00 -1.00 0.00 0.00 57.85 57.79 1snl n ARG 15 Cb 0.63 -2.32 0.00 0.00 -1.05 0.00 0.00 32.46 29.72 1snl n ARG 15 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1snl n PHE 16 N 2.10 0.00 -3.46 2.89 -0.00 -1.26 -5.06 117.46 112.67 1snl n PHE 16 Ca 0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.43 1snl n PHE 16 Cb 0.29 0.00 0.01 0.00 -0.00 0.00 0.00 39.48 39.78 1snl n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1snl n ASN 17 N -0.72 -6.20 0.30 -2.13 4.05 -1.26 -4.81 115.26 104.48 1snl n ASN 17 Ca 0.00 -0.59 0.18 0.00 0.45 0.00 0.00 54.58 54.62 1snl n ASN 17 Cb 0.00 -3.49 0.92 0.00 1.23 0.00 0.00 39.78 38.44 1snl n ASN 17 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1snl h PRO 18 N -0.19 0.00 -0.79 1.20 0.13 -1.97 -2.72 132.00 127.67 1snl h PRO 18 Ca -0.37 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.81 1snl h PRO 18 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 1snl h PRO 18 CO 0.35 0.04 0.52 -0.22 -0.23 0.00 0.00 178.00 178.46 1snl h LYS 19 N 0.00 0.90 -0.25 0.86 3.64 -2.01 -2.56 116.57 117.15 1snl h LYS 19 Ca -0.00 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.15 1snl h LYS 19 Cb 0.22 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1snl h LYS 19 CO 0.01 0.59 -0.52 1.15 -2.27 0.00 0.00 179.45 178.41 1snl h THR 20 N 0.92 1.29 -0.72 1.00 2.02 -1.82 -2.89 112.91 112.71 1snl h THR 20 Ca 0.33 -1.72 0.11 0.00 0.77 0.00 0.00 66.41 65.90 1snl h THR 20 Cb 0.12 1.73 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 1snl h THR 20 CO -0.10 0.55 0.48 0.15 0.37 0.00 0.00 175.52 176.96 1snl h PHE 21 N 0.55 0.61 -0.16 3.16 3.04 -1.59 0.24 116.94 122.79 1snl h PHE 21 Ca 0.01 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 61.87 1snl h PHE 21 Cb 1.13 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.43 1snl h PHE 21 CO 0.08 0.28 -0.35 0.35 -2.02 0.00 0.00 178.31 176.65 1snl h PHE 22 N 0.56 0.38 0.30 0.41 3.04 -1.31 -2.85 116.94 117.47 1snl h PHE 22 Ca 0.34 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 62.18 1snl h PHE 22 Cb 0.56 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1snl h PHE 22 CO -0.00 0.64 -0.14 0.82 -2.02 0.00 0.00 178.31 177.61 1snl h ILE 23 N 0.29 0.00 -1.20 1.41 2.04 -0.40 -2.53 117.51 117.12 1snl h ILE 23 Ca 0.03 -0.56 0.35 0.00 1.00 0.00 0.00 64.86 65.69 1snl h ILE 23 Cb 0.75 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 1snl h ILE 23 CO 0.06 0.00 1.05 0.25 0.00 0.00 0.00 178.15 179.50 1snl h LEU 24 N -0.96 0.00 0.00 1.44 7.12 -1.21 1.38 115.31 123.08 1snl h LEU 24 Ca -0.04 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.97 1snl h LEU 24 Cb 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 1snl h LEU 24 CO 0.07 0.00 -0.70 1.41 -0.13 0.00 0.00 178.44 179.09 1snl n HIS 25 N -3.73 0.36 -1.05 1.25 8.25 -1.08 -4.46 115.22 114.76 1snl n HIS 25 Ca 0.26 0.10 -0.32 0.00 -0.26 0.00 0.00 57.72 57.51 1snl n HIS 25 Cb 1.43 -0.51 -0.02 0.00 1.12 0.00 0.00 29.99 32.00 1snl n HIS 25 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1snl n ASP 26 N -1.94 5.57 -0.14 0.41 5.75 0.47 -4.69 116.55 121.99 1snl n ASP 26 Ca 0.03 -2.49 -0.05 0.00 -0.01 0.00 0.00 54.79 52.28 1snl n ASP 26 Cb 0.42 -1.28 0.02 0.00 -1.03 0.00 0.00 41.12 39.24 1snl n ASP 26 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1snl h ILE 27 N 3.51 0.35 -0.36 2.12 2.04 -1.78 0.22 117.51 123.61 1snl h ILE 27 Ca 0.60 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.46 1snl h ILE 27 Cb 0.31 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1snl h ILE 27 CO 1.66 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 176.61 1snl n ASN 28 N -5.40 2.37 -4.20 1.72 4.05 -1.26 -4.92 115.26 107.61 1snl n ASN 28 Ca 0.03 -2.12 -0.31 0.00 0.45 0.00 0.00 54.58 52.64 1snl n ASN 28 Cb 0.31 -0.34 -0.07 0.00 1.23 0.00 0.00 39.78 40.91 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 0.54 0.17 -0.44 1.20 3.41 0.76 -4.80 113.62 114.45 1snl n SER 29 Ca 0.13 -1.21 0.12 0.00 -0.26 0.00 0.00 58.87 57.65 1snl n SER 29 Cb 0.42 -1.99 0.21 0.00 -0.26 0.00 0.00 64.21 62.60 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 -2.86 1.67 0.00 4.04 -0.08 -1.26 -4.92 116.55 113.15 1snl n ASP 30 Ca -0.31 -1.31 0.00 0.00 -1.51 0.00 0.00 54.79 51.66 1snl n ASP 30 Cb 0.68 0.24 0.00 0.00 2.34 0.00 0.00 41.12 44.39 1snl n ASP 30 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1snl n GLY 31 N 1.36 0.72 3.22 0.27 0.00 -1.26 -4.99 105.19 104.51 1snl n GLY 31 Ca 0.12 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 -2.95 0.10 -0.19 1.61 -7.23 -1.26 -3.87 120.40 106.60 1snl s VAL 32 Ca 0.00 -1.61 -0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1snl s VAL 32 Cb 0.00 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 35.11 1snl s VAL 32 CO 0.00 -0.47 -0.12 -0.76 -0.31 0.00 0.00 175.10 173.44 1snl s LEU 33 N -2.98 2.56 0.46 1.32 1.02 -1.02 -4.95 118.68 115.10 1snl s LEU 33 Ca 0.18 -0.49 0.08 0.00 0.02 0.00 0.00 54.13 53.91 1snl s LEU 33 Cb 0.06 -1.62 0.01 0.00 0.02 0.00 0.00 46.19 44.66 1snl s LEU 33 CO -0.01 0.01 0.46 -1.81 0.02 0.00 0.00 176.35 175.02 1snl s ASP 34 N 1.29 5.04 0.28 2.29 1.11 -1.26 -2.93 116.67 122.49 1snl s ASP 34 Ca 0.04 -0.82 0.01 0.00 0.18 0.00 0.00 52.55 51.95 1snl s ASP 34 Cb -0.14 -0.26 0.56 0.00 1.07 0.00 0.00 42.92 44.15 1snl s ASP 34 CO -0.06 -0.85 1.82 -0.08 1.18 0.00 0.00 175.17 177.17 1snl h GLU 35 N 0.81 0.87 0.00 8.23 4.81 -2.00 0.18 114.58 127.48 1snl h GLU 35 Ca -0.39 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1snl h GLU 35 Cb 1.28 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1snl h GLU 35 CO 0.54 0.58 -0.04 -0.56 -0.73 0.00 0.00 179.01 178.79 1snl h GLN 36 N 0.90 0.00 0.22 1.92 -0.00 -1.96 0.48 115.11 116.68 1snl h GLN 36 Ca 0.49 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.83 1snl h GLN 36 Cb 0.55 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 28.06 1snl h GLN 36 CO -0.29 0.04 -1.42 0.93 -0.00 0.00 0.00 178.83 178.09 1snl h GLU 37 N 0.00 0.47 -0.00 0.06 5.08 -1.04 -3.06 114.58 116.09 1snl h GLU 37 Ca -0.00 -0.81 -0.17 0.00 -1.00 0.00 0.00 59.36 57.38 1snl h GLU 37 Cb 0.13 0.30 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1snl h GLU 37 CO 0.01 1.39 -0.80 -0.07 -1.00 0.00 0.00 179.01 178.53 1snl h LEU 38 N 0.04 0.04 -0.37 1.33 3.38 -0.85 -2.02 115.31 116.86 1snl h LEU 38 Ca -0.26 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1snl h LEU 38 Cb 2.06 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.78 1snl h LEU 38 CO 0.23 0.82 0.23 -0.08 0.09 0.00 0.00 178.44 179.73 1snl h GLU 39 N 0.02 0.49 0.00 1.13 4.81 -0.13 -1.43 114.58 119.47 1snl h GLU 39 Ca -0.01 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1snl h GLU 39 Cb 1.41 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 1snl h GLU 39 CO 0.11 0.36 -0.64 0.00 -0.73 0.00 0.00 179.01 178.11 1snl h ALA 40 N 1.10 0.90 0.00 2.92 0.00 -1.50 -3.03 119.26 119.65 1snl h ALA 40 Ca 0.13 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1snl h ALA 40 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1snl h ALA 40 CO -0.03 0.80 -0.36 1.25 0.00 0.00 0.00 179.25 180.91 1snl h LEU 41 N 0.00 0.00 0.02 0.00 6.46 -0.89 -2.83 115.31 118.07 1snl h LEU 41 Ca -0.01 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.71 1snl h LEU 41 Cb 1.17 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 1snl h LEU 41 CO 0.08 0.36 -0.19 -0.26 -0.62 0.00 0.00 178.44 177.82 1snl h PHE 42 N 0.00 0.07 -0.16 1.25 0.04 -1.20 -3.04 116.94 113.90 1snl h PHE 42 Ca -0.00 -0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.72 1snl h PHE 42 Cb 0.91 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 1snl h PHE 42 CO 0.00 1.07 0.08 1.15 -0.60 0.00 0.00 178.31 180.01 1snl h THR 43 N -0.92 1.00 -0.51 -1.55 2.02 -1.59 -2.96 112.91 108.40 1snl h THR 43 Ca -0.04 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 1snl h THR 43 Cb 1.10 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1snl h THR 43 CO 0.01 0.03 -0.05 0.07 0.37 0.00 0.00 175.52 175.95 1snl h LYS 44 N 0.17 0.93 -0.26 6.66 2.10 -1.65 -1.61 116.57 122.92 1snl h LYS 44 Ca 0.06 -0.32 0.07 0.00 -2.00 0.00 0.00 60.65 58.47 1snl h LYS 44 Cb 0.01 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.26 1snl h LYS 44 CO -0.04 0.98 0.21 0.93 -2.00 0.00 0.00 179.45 179.53 1snl h GLU 45 N 0.80 0.00 0.00 0.07 4.39 -1.43 0.62 114.58 119.02 1snl h GLU 45 Ca 0.14 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.67 1snl h GLU 45 Cb 0.59 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1snl h GLU 45 CO 0.04 0.00 -1.11 -0.07 -1.16 0.00 0.00 179.01 176.70 1snl h LEU 46 N 0.00 0.00 0.00 1.33 3.38 -1.28 -3.30 115.31 115.44 1snl h LEU 46 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1snl h LEU 46 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1snl h LEU 46 CO -0.00 0.64 0.00 -1.84 0.09 0.00 0.00 178.44 177.33 1snl n GLU 47 N -3.06 0.28 -2.15 1.13 -0.00 0.21 -2.69 120.64 114.36 1snl n GLU 47 Ca -0.06 0.00 -0.24 0.00 -0.00 0.00 0.00 57.16 56.87 1snl n GLU 47 Cb 0.84 -1.44 0.02 0.00 -0.00 0.00 0.00 31.44 30.85 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 -0.94 3.49 0.00 3.44 2.85 -1.23 -4.56 118.16 121.21 1snl n LYS 48 Ca 0.06 -4.21 0.00 0.00 -1.05 0.00 0.00 58.31 53.11 1snl n LYS 48 Cb 0.03 -2.24 0.00 0.00 -0.65 0.00 0.00 35.03 32.17 1snl n LYS 48 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1snl n VAL 49 N -0.65 0.00 0.79 0.58 3.14 -1.10 -4.94 118.33 116.15 1snl n VAL 49 Ca 0.41 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.90 1snl n VAL 49 Cb 0.90 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.71 1snl n VAL 49 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1snl n TYR 50 N -0.80 0.11 -3.27 1.45 4.01 -1.15 -5.01 117.16 112.49 1snl n TYR 50 Ca 0.00 0.03 -0.18 0.00 -0.16 0.00 0.00 57.90 57.59 1snl n TYR 50 Cb 0.00 -0.26 0.01 0.00 -0.31 0.00 0.00 39.34 38.79 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 -1.72 -6.62 -0.17 7.72 9.92 -1.26 -4.70 116.55 119.72 1snl n ASP 51 Ca 0.03 -0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1snl n ASP 51 Cb 0.38 -3.59 0.00 0.00 -0.64 0.00 0.00 41.12 37.27 1snl n ASP 51 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1snl n PRO 52 N -1.05 0.29 -0.07 -0.24 -0.05 -1.26 -1.89 135.00 130.74 1snl n PRO 52 Ca -0.05 0.00 -0.07 0.00 -0.05 0.00 0.00 63.50 63.33 1snl n PRO 52 Cb 0.58 -1.05 -0.10 0.00 -0.05 0.00 0.00 33.50 32.88 1snl n PRO 52 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1snl n LYS 53 N -0.21 1.64 0.00 0.54 5.02 -1.26 -4.38 118.16 119.51 1snl n LYS 53 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1snl n LYS 53 Cb 0.02 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1snl n LYS 53 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1snl n ASN 54 N -2.56 0.08 0.00 4.39 0.23 -0.79 -4.92 115.26 111.68 1snl n ASN 54 Ca -0.22 -0.66 0.00 0.00 -0.53 0.00 0.00 54.58 53.16 1snl n ASN 54 Cb 0.90 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.57 1snl n ASN 54 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1snl n GLU 55 N -0.31 0.00 0.00 -3.83 1.02 -1.26 -4.60 120.64 111.67 1snl n GLU 55 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1snl n GLU 55 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 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 3.52 0.00 -2.40 3.49 2.13 -1.26 -4.43 120.64 121.68 1snl n GLU 56 Ca 0.00 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.44 1snl n GLU 56 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1snl n GLU 56 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1snl s ASP 57 N -0.31 6.20 0.00 4.31 2.15 -1.26 -4.76 116.67 123.01 1snl s ASP 57 Ca 0.00 -2.09 0.00 0.00 0.43 0.00 0.00 52.55 50.89 1snl s ASP 57 Cb 0.00 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1snl s ASP 57 CO 0.00 -1.83 0.00 -0.67 -0.17 0.00 0.00 175.17 172.50 1snl n ASP 58 N 10.46 0.00 -0.94 -0.34 2.03 -1.26 -4.62 116.55 121.88 1snl n ASP 58 Ca 0.46 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.67 1snl n ASP 58 Cb 0.47 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.82 1snl n ASP 58 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1snl n MET 59 N -0.24 -1.61 -0.13 -0.67 2.81 -1.26 -4.76 117.12 111.26 1snl n MET 59 Ca 0.00 0.79 -0.28 0.00 -1.81 0.00 0.00 57.70 56.40 1snl n MET 59 Cb 0.00 -5.04 -0.10 0.00 -0.71 0.00 0.00 33.22 27.36 1snl n MET 59 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1snl n ARG 60 N -1.03 0.59 -0.01 0.03 0.63 -1.26 -3.93 116.66 111.67 1snl n ARG 60 Ca -0.11 0.33 -0.09 0.00 -0.92 0.00 0.00 57.85 57.07 1snl n ARG 60 Cb 0.51 -1.56 -0.03 0.00 0.45 0.00 0.00 32.46 31.83 1snl n ARG 60 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1snl h GLU 61 N -0.96 -0.09 0.00 -0.14 5.08 -1.95 -0.42 114.58 116.10 1snl h GLU 61 Ca -0.62 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1snl h GLU 61 Cb 1.56 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1snl h GLU 61 CO -0.36 -0.06 0.00 0.00 -1.00 0.00 0.00 179.01 177.59 1snl n MET 62 N -5.24 0.37 -0.28 2.33 0.00 -1.26 -3.84 117.12 109.19 1snl n MET 62 Ca -0.03 0.08 0.30 0.00 0.00 0.00 0.00 57.70 58.05 1snl n MET 62 Cb 0.17 -1.50 0.46 0.00 0.00 0.00 0.00 33.22 32.35 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 -1.20 0.01 0.24 3.17 0.28 -0.17 0.19 120.64 123.16 1snl n GLU 63 Ca 0.11 0.94 0.18 0.00 -0.16 0.00 0.00 57.16 58.22 1snl n GLU 63 Cb 0.12 -2.30 0.88 0.00 1.43 0.00 0.00 31.44 31.57 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 0.02 3.44 4.39 -1.80 -1.55 114.58 119.08 1snl h GLU 64 Ca 0.53 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 60.13 1snl h GLU 64 Cb 2.82 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 31.48 1snl h GLU 64 CO -0.01 0.00 -0.41 1.49 -1.16 0.00 0.00 179.01 178.93 1snl h GLU 65 N 0.00 0.24 -0.67 2.33 4.81 0.17 -2.60 114.58 118.86 1snl h GLU 65 Ca 0.07 -0.28 0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1snl h GLU 65 Cb 0.49 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.88 1snl h GLU 65 CO -0.00 1.03 0.26 0.00 -0.73 0.00 0.00 179.01 179.56 1snl h ARG 66 N -0.43 0.42 0.00 1.92 3.08 -1.43 0.21 114.38 118.15 1snl h ARG 66 Ca -0.06 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1snl h ARG 66 Cb 1.19 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1snl h ARG 66 CO 0.08 0.28 -0.34 -0.07 -1.07 0.00 0.00 179.97 178.84 1snl h LEU 67 N 0.43 0.00 -0.60 3.04 3.38 -1.57 0.66 115.31 120.65 1snl h LEU 67 Ca 0.35 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.24 1snl h LEU 67 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1snl h LEU 67 CO -0.34 0.34 0.09 -0.09 0.09 0.00 0.00 178.44 178.53 1snl h ARG 68 N 0.00 1.01 0.00 1.13 1.12 -0.20 0.11 114.38 117.55 1snl h ARG 68 Ca -0.00 -0.28 -0.13 0.00 -1.11 0.00 0.00 59.98 58.46 1snl h ARG 68 Cb 0.71 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.53 1snl h ARG 68 CO 0.04 0.95 -0.74 0.52 -3.11 0.00 0.00 179.97 177.64 1snl h MET 69 N 0.91 0.00 -0.59 0.20 0.00 -1.19 -2.68 114.93 111.59 1snl h MET 69 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 59.70 59.95 1snl h MET 69 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 31.60 31.98 1snl h MET 69 CO 0.01 0.99 0.29 -0.09 0.00 0.00 0.00 176.91 178.11 1snl h ARG 70 N -1.00 0.52 0.05 1.72 2.43 -0.94 -0.46 114.38 116.71 1snl h ARG 70 Ca -0.20 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1snl h ARG 70 Cb 1.17 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1snl h ARG 70 CO -0.12 0.34 -0.03 1.49 -1.51 0.00 0.00 179.97 180.14 1snl h GLU 71 N 0.53 -0.07 -0.99 0.20 4.81 -1.13 -2.39 114.58 115.54 1snl h GLU 71 Ca 0.27 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.61 1snl h GLU 71 Cb 0.22 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.54 1snl h GLU 71 CO -0.21 0.55 0.63 1.25 -0.73 0.00 0.00 179.01 180.50 1snl h HIS 72 N -0.85 1.14 0.16 0.92 2.76 -1.42 0.38 115.15 118.24 1snl h HIS 72 Ca -0.01 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1snl h HIS 72 Cb 0.65 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.24 1snl h HIS 72 CO 0.15 0.50 -0.08 0.28 -1.30 0.00 0.00 177.93 177.49 1snl h VAL 73 N 1.04 0.92 0.00 5.26 2.07 -1.16 -1.17 116.25 123.20 1snl h VAL 73 Ca 0.47 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1snl h VAL 73 Cb 0.39 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1snl h VAL 73 CO -0.23 0.22 0.00 0.24 0.02 0.00 0.00 177.57 177.82 1snl h MET 74 N -0.80 0.00 0.07 1.57 2.07 -1.16 0.19 114.93 116.87 1snl h MET 74 Ca -0.02 0.00 -0.37 0.00 -2.07 0.00 0.00 59.70 57.24 1snl h MET 74 Cb 0.53 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.22 1snl h MET 74 CO 0.04 0.00 -2.15 1.17 1.07 0.00 0.00 176.91 177.04 1snl n LYS 75 N -2.37 0.71 -0.06 1.72 4.81 0.13 -3.85 118.16 119.25 1snl n LYS 75 Ca -0.00 0.22 -0.02 0.00 -0.87 0.00 0.00 58.31 57.64 1snl n LYS 75 Cb 0.13 -1.65 -0.16 0.00 0.02 0.00 0.00 35.03 33.38 1snl n LYS 75 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1snl n ASN 76 N -3.34 0.15 -0.01 3.14 2.04 -0.45 -4.53 115.26 112.26 1snl n ASN 76 Ca -0.35 0.00 -0.16 0.00 -0.44 0.00 0.00 54.58 53.62 1snl n ASN 76 Cb 1.03 1.35 -0.14 0.00 -2.53 0.00 0.00 39.78 39.50 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 -2.54 1.71 -1.42 3.53 0.31 0.66 -4.81 118.33 115.77 1snl n VAL 77 Ca -0.21 -0.71 -0.51 0.00 -0.01 0.00 0.00 64.34 62.89 1snl n VAL 77 Cb 0.92 -1.45 -0.08 0.00 -0.91 0.00 0.00 33.84 32.32 1snl n VAL 77 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1snl n ASP 78 N -3.30 1.88 -0.04 4.52 5.75 -1.19 -4.82 116.55 119.35 1snl n ASP 78 Ca -0.27 0.42 -0.02 0.00 -0.01 0.00 0.00 54.79 54.92 1snl n ASP 78 Cb 1.05 -1.21 -0.01 0.00 -1.03 0.00 0.00 41.12 39.93 1snl n ASP 78 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1snl h THR 79 N 7.12 0.00 -0.57 2.12 1.35 -1.91 -3.40 112.91 117.62 1snl h THR 79 Ca -0.24 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1snl h THR 79 Cb 1.33 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1snl h THR 79 CO 1.04 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.85 1snl n ASN 80 N -3.63 4.77 -3.59 5.36 2.04 -1.26 -4.99 115.26 113.97 1snl n ASN 80 Ca -0.03 -2.60 -0.27 0.00 -0.44 0.00 0.00 54.58 51.24 1snl n ASN 80 Cb 0.11 -0.58 0.01 0.00 -2.53 0.00 0.00 39.78 36.79 1snl n ASN 80 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1snl n GLN 81 N 0.77 -1.71 -0.23 -3.83 1.13 -1.26 -4.88 117.38 107.37 1snl n GLN 81 Ca 0.25 1.12 0.04 0.00 -1.94 0.00 0.00 57.00 56.47 1snl n GLN 81 Cb 0.93 -2.66 0.06 0.00 0.11 0.00 0.00 30.24 28.69 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 -1.59 1.21 0.00 1.08 2.03 -1.26 -4.94 116.55 113.08 1snl n ASP 82 Ca -0.19 -2.40 0.00 0.00 0.52 0.00 0.00 54.79 52.71 1snl n ASP 82 Cb 0.66 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.68 0.00 -4.95 -0.67 1.74 -1.26 -4.87 116.66 105.97 1snl n ARG 83 Ca 0.07 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.87 1snl n ARG 83 Cb 0.62 -4.06 -0.16 0.00 -1.02 0.00 0.00 32.46 27.84 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 1.95 -0.16 0.55 1.43 -1.26 -4.10 118.68 117.09 1snl s LEU 84 Ca 0.00 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1snl s LEU 84 Cb 0.00 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 45.10 1snl s LEU 84 CO 0.00 0.17 -0.05 -0.69 0.23 0.00 0.00 176.35 176.01 1snl s VAL 85 N 0.06 3.75 0.28 -1.59 1.01 -1.15 -4.88 120.40 117.88 1snl s VAL 85 Ca -0.06 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.57 1snl s VAL 85 Cb -0.13 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1snl s VAL 85 CO 0.03 0.49 0.35 0.42 0.00 0.00 0.00 175.10 176.40 1snl s THR 86 N 0.42 4.56 0.26 3.92 -4.23 -1.26 -2.42 115.64 116.89 1snl s THR 86 Ca -0.05 -1.11 -0.03 0.00 -1.18 0.00 0.00 61.69 59.33 1snl s THR 86 Cb -0.14 -3.57 0.15 0.00 1.34 0.00 0.00 72.50 70.28 1snl s THR 86 CO 0.03 -0.26 1.81 0.25 -0.54 0.00 0.00 174.62 175.91 1snl h LEU 87 N 1.16 0.84 0.11 4.79 5.85 -1.99 -1.24 115.31 124.83 1snl h LEU 87 Ca -0.49 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.08 1snl h LEU 87 Cb 1.24 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1snl h LEU 87 CO 0.58 0.81 -0.06 -0.33 -0.34 0.00 0.00 178.44 179.10 1snl h GLU 88 N 0.87 -0.15 -0.05 1.25 5.08 -1.94 -1.13 114.58 118.50 1snl h GLU 88 Ca 0.19 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1snl h GLU 88 Cb 0.30 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1snl h GLU 88 CO -0.00 -0.10 -0.07 0.93 -1.00 0.00 0.00 179.01 178.77 1snl h GLU 89 N -0.16 0.07 0.13 2.33 4.39 -1.98 -2.87 114.58 116.49 1snl h GLU 89 Ca -0.01 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1snl h GLU 89 Cb 0.13 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1snl h GLU 89 CO 0.02 0.14 -0.06 0.35 -1.16 0.00 0.00 179.01 178.30 1snl h PHE 90 N 0.07 -0.16 -0.81 4.33 3.57 -1.12 -2.78 116.94 120.05 1snl h PHE 90 Ca 0.02 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.69 1snl h PHE 90 Cb 0.17 0.05 -0.11 0.00 2.79 0.00 0.00 35.95 38.85 1snl h PHE 90 CO 0.00 0.08 0.28 -0.07 -2.23 0.00 0.00 178.31 176.37 1snl h LEU 91 N -0.39 0.18 0.06 0.59 3.38 -0.98 -1.48 115.31 116.68 1snl h LEU 91 Ca -0.02 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1snl h LEU 91 Cb 0.31 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1snl h LEU 91 CO 0.03 0.00 -0.48 0.00 0.09 0.00 0.00 178.44 178.08 1snl h ALA 92 N 1.64 -0.85 -1.44 1.53 0.00 -1.41 2.29 119.26 121.02 1snl h ALA 92 Ca 0.47 -0.08 0.42 0.00 0.00 0.00 0.00 54.91 55.72 1snl h ALA 92 Cb 0.83 0.84 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 1snl h ALA 92 CO -0.50 -1.06 1.04 1.03 0.00 0.00 0.00 179.25 179.76 1snl h SER 93 N -0.67 0.00 0.00 0.00 0.87 -1.14 0.50 113.55 113.11 1snl h SER 93 Ca 0.02 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 1snl h SER 93 Cb 0.71 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1snl h SER 93 CO -0.31 0.00 -0.97 0.35 -0.53 0.00 0.00 176.83 175.38 1snl n THR 94 N -4.10 1.47 -0.33 2.23 -2.24 0.39 -4.45 114.28 107.25 1snl n THR 94 Ca 0.31 0.12 0.08 0.00 -2.27 0.00 0.00 64.05 62.29 1snl n THR 94 Cb 1.49 -2.31 0.19 0.00 -2.10 0.00 0.00 70.33 67.60 1snl n THR 94 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1snl h GLN 95 N -1.00 0.02 -5.23 -0.78 4.15 0.42 -3.32 115.11 109.37 1snl h GLN 95 Ca -0.08 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.28 1snl h GLN 95 Cb 0.89 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 1snl h GLN 95 CO -0.05 0.01 0.37 0.54 -1.93 0.00 0.00 178.83 177.77 1snl n ARG 96 N -5.53 0.37 -1.47 1.69 5.12 0.12 -4.80 116.66 112.16 1snl n ARG 96 Ca 0.17 -0.83 -0.57 0.00 -1.93 0.00 0.00 57.85 54.69 1snl n ARG 96 Cb 0.57 -3.21 -0.09 0.00 -1.16 0.00 0.00 32.46 28.57 1snl n ARG 96 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1snl n LYS 97 N 7.99 0.62 -1.55 5.56 4.81 -1.25 -4.71 118.16 129.64 1snl n LYS 97 Ca 0.47 0.19 -0.20 0.00 -0.87 0.00 0.00 58.31 57.91 1snl n LYS 97 Cb 0.39 -1.96 -0.07 0.00 0.02 0.00 0.00 35.03 33.41 1snl n LYS 97 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1snl n GLU 98 N 6.94 0.64 0.00 1.64 2.13 -1.26 -5.19 120.64 125.54 1snl n GLU 98 Ca 0.42 -0.57 0.16 0.00 0.66 0.00 0.00 57.16 57.82 1snl n GLU 98 Cb 0.09 -3.43 0.93 0.00 0.27 0.00 0.00 31.44 29.29 1snl n GLU 98 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06