#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 0.00 3.23 5.02 -1.26 -3.84 118.16 121.31 1snl n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1snl n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1snl n LYS 2 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1snl n GLU 3 N 0.00 0.00 0.00 1.97 0.00 -1.26 -5.06 120.64 116.29 1snl n GLU 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1snl n GLU 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1snl n GLU 3 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1snl n VAL 4 N -0.12 0.00 0.00 3.84 0.31 -1.25 -4.41 118.33 116.70 1snl n VAL 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1snl n VAL 4 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1snl n VAL 4 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 1snl n TRP 5 N 0.00 0.00 -3.55 3.52 7.02 -1.26 -5.07 117.44 118.11 1snl n TRP 5 Ca 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.32 1snl n TRP 5 Cb 0.00 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.83 1snl n TRP 5 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1snl s GLU 6 N 0.00 0.97 -0.23 -0.99 2.12 -1.26 -5.06 118.70 114.24 1snl s GLU 6 Ca 0.00 0.38 0.08 0.00 0.36 0.00 0.00 54.97 55.79 1snl s GLU 6 Cb 0.00 0.46 0.25 0.00 0.26 0.00 0.00 34.13 35.11 1snl s GLU 6 CO 0.00 -0.27 1.17 -0.85 -0.54 0.00 0.00 175.26 174.76 1snl n GLU 7 N 1.22 0.84 -3.64 4.30 0.00 -1.26 -5.13 120.64 116.97 1snl n GLU 7 Ca -0.17 -0.84 -0.05 0.00 0.00 0.00 0.00 57.16 56.10 1snl n GLU 7 Cb 0.57 0.23 -0.07 0.00 0.00 0.00 0.00 31.44 32.16 1snl n GLU 7 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1snl s LEU 8 N -2.61 -0.19 0.14 -1.84 2.96 -1.26 -5.03 118.68 110.85 1snl s LEU 8 Ca 0.07 0.36 0.21 0.00 -0.22 0.00 0.00 54.13 54.55 1snl s LEU 8 Cb 0.28 1.38 -0.07 0.00 0.50 0.00 0.00 46.19 48.27 1snl s LEU 8 CO -0.08 -0.07 0.92 -0.90 -1.32 0.00 0.00 176.35 174.90 1snl n ASP 9 N 1.73 0.74 0.00 3.68 5.68 -1.26 -4.93 116.55 122.19 1snl n ASP 9 Ca -0.11 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 1snl n ASP 9 Cb 0.57 0.58 0.00 0.00 -1.14 0.00 0.00 41.12 41.12 1snl n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1snl n GLY 10 N 1.24 1.05 2.70 6.12 0.00 -1.26 -4.84 105.19 110.21 1snl n GLY 10 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 1snl n GLY 10 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1snl n LEU 11 N 0.00 -1.98 -4.83 0.99 -0.00 -1.26 -5.15 117.00 104.76 1snl n LEU 11 Ca 0.00 -2.45 -0.33 0.00 -0.00 0.00 0.00 56.01 53.23 1snl n LEU 11 Cb 0.00 0.69 -0.07 0.00 -0.00 0.00 0.00 43.42 44.04 1snl n LEU 11 CO 0.00 1.76 0.54 1.51 -0.00 0.00 0.00 177.39 181.20 1snl s ASP 12 N -0.88 6.89 0.07 1.45 1.47 -1.26 -4.91 116.67 119.50 1snl s ASP 12 Ca 0.28 1.50 0.06 0.00 1.18 0.00 0.00 52.55 55.58 1snl s ASP 12 Cb 0.22 -2.46 0.32 0.00 -0.34 0.00 0.00 42.92 40.66 1snl s ASP 12 CO -0.15 -0.26 1.20 -0.81 0.68 0.00 0.00 175.17 175.82 1snl n PRO 13 N -0.41 0.03 -0.73 2.11 -0.04 -1.26 -4.16 135.00 130.54 1snl n PRO 13 Ca 0.05 0.50 -0.37 0.00 -0.04 0.00 0.00 63.50 63.64 1snl n PRO 13 Cb 0.53 -1.60 -0.07 0.00 -0.04 0.00 0.00 33.50 32.33 1snl n PRO 13 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1snl n ASN 14 N -1.67 1.94 -4.07 3.54 5.03 -1.26 -4.89 115.26 113.88 1snl n ASN 14 Ca 0.00 -2.50 -0.29 0.00 0.87 0.00 0.00 54.58 52.67 1snl n ASN 14 Cb 0.03 -0.82 0.27 0.00 -1.02 0.00 0.00 39.78 38.25 1snl n ASN 14 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1snl s ARG 15 N 5.55 -1.90 0.00 3.52 0.52 -1.26 -4.79 118.95 120.60 1snl s ARG 15 Ca 0.53 0.57 0.00 0.00 -0.52 0.00 0.00 55.73 56.31 1snl s ARG 15 Cb 0.13 -1.46 0.00 0.00 0.52 0.00 0.00 34.95 34.13 1snl s ARG 15 CO 0.17 -4.30 0.67 1.97 0.02 0.00 0.00 175.30 173.83 1snl n PHE 16 N -5.29 0.00 -3.39 -0.53 -1.74 -1.26 -4.82 117.46 100.42 1snl n PHE 16 Ca 0.06 -0.24 -0.12 0.00 -0.56 0.00 0.00 57.45 56.59 1snl n PHE 16 Cb 0.56 -0.17 0.00 0.00 1.52 0.00 0.00 39.48 41.40 1snl n PHE 16 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1snl n ASN 17 N 0.35 -6.46 0.28 5.98 5.03 -1.26 -4.81 115.26 114.37 1snl n ASN 17 Ca 0.00 -0.49 0.19 0.00 0.87 0.00 0.00 54.58 55.15 1snl n ASN 17 Cb 0.34 -3.74 0.96 0.00 -1.02 0.00 0.00 39.78 36.32 1snl n ASN 17 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1snl h PRO 18 N 0.01 0.00 -0.84 3.52 0.14 -2.01 -2.76 132.00 130.06 1snl h PRO 18 Ca -0.30 0.00 0.12 0.00 0.14 0.00 0.00 66.00 65.96 1snl h PRO 18 Cb 1.19 0.00 -0.06 0.00 0.14 0.00 0.00 31.00 32.26 1snl h PRO 18 CO 0.34 0.00 0.55 -0.22 0.14 0.00 0.00 178.00 178.81 1snl h LYS 19 N 0.00 0.69 -0.21 0.86 3.64 -2.01 -2.17 116.57 117.37 1snl h LYS 19 Ca 0.00 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.15 1snl h LYS 19 Cb 0.13 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1snl h LYS 19 CO 0.00 0.46 -0.59 1.15 -2.27 0.00 0.00 179.45 178.20 1snl h THR 20 N 0.71 1.29 -0.68 1.00 2.02 -1.83 -2.88 112.91 112.54 1snl h THR 20 Ca 0.40 -1.80 0.10 0.00 0.77 0.00 0.00 66.41 65.89 1snl h THR 20 Cb 0.58 1.84 -0.04 0.00 -1.74 0.00 0.00 68.15 68.78 1snl h THR 20 CO -0.17 0.57 0.45 0.15 0.37 0.00 0.00 175.52 176.89 1snl h PHE 21 N 0.51 0.58 -0.14 3.16 3.04 -1.56 0.10 116.94 122.62 1snl h PHE 21 Ca -0.01 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.83 1snl h PHE 21 Cb 1.21 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.52 1snl h PHE 21 CO 0.08 0.27 -0.44 0.35 -2.02 0.00 0.00 178.31 176.55 1snl h PHE 22 N 0.54 0.41 0.34 0.41 3.04 -1.34 -2.80 116.94 117.54 1snl h PHE 22 Ca 0.32 -0.12 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 1snl h PHE 22 Cb 0.51 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.94 1snl h PHE 22 CO -0.00 0.73 -0.17 0.82 -2.02 0.00 0.00 178.31 177.68 1snl h ILE 23 N 0.28 0.00 -1.03 1.41 2.04 -0.65 -2.49 117.51 117.07 1snl h ILE 23 Ca 0.02 -0.61 0.31 0.00 1.00 0.00 0.00 64.86 65.58 1snl h ILE 23 Cb 0.90 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.84 1snl h ILE 23 CO 0.07 0.00 0.61 0.25 0.00 0.00 0.00 178.15 179.08 1snl h LEU 24 N -1.07 0.53 -0.11 1.44 7.12 -1.30 0.97 115.31 122.89 1snl h LEU 24 Ca -0.05 0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.12 1snl h LEU 24 Cb 0.36 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.58 1snl h LEU 24 CO 0.08 -0.06 0.00 0.45 -0.13 0.00 0.00 178.44 178.78 1snl h HIS 25 N 0.38 0.00 -1.85 1.25 3.86 -1.54 -3.41 115.15 113.84 1snl h HIS 25 Ca 0.71 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 59.38 1snl h HIS 25 Cb 1.62 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 30.01 1snl h HIS 25 CO -0.01 0.00 1.20 0.34 0.86 0.00 0.00 177.93 180.33 1snl s ASP 26 N -4.84 6.11 -0.07 2.45 -1.08 0.34 -4.83 116.67 114.75 1snl s ASP 26 Ca 0.09 -0.68 -0.26 0.00 -0.52 0.00 0.00 52.55 51.18 1snl s ASP 26 Cb 0.11 -2.56 -0.24 0.00 -1.46 0.00 0.00 42.92 38.77 1snl s ASP 26 CO 0.59 -1.85 1.01 0.40 0.52 0.00 0.00 175.17 175.84 1snl h ILE 27 N 6.42 1.58 -0.28 4.11 2.04 -1.80 -3.26 117.51 126.32 1snl h ILE 27 Ca -0.11 -1.93 0.00 0.00 1.00 0.00 0.00 64.86 63.82 1snl h ILE 27 Cb 1.05 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.95 1snl h ILE 27 CO 1.31 0.52 0.00 -3.20 0.00 0.00 0.00 178.15 176.78 1snl n ASN 28 N -4.57 1.77 -4.02 1.72 4.05 -1.26 -4.93 115.26 108.02 1snl n ASN 28 Ca -0.10 -1.90 -0.34 0.00 0.45 0.00 0.00 54.58 52.70 1snl n ASN 28 Cb 0.47 -0.19 -0.01 0.00 1.23 0.00 0.00 39.78 41.28 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 0.44 -2.08 -0.48 1.20 3.41 -1.23 -4.82 113.62 110.05 1snl n SER 29 Ca 0.13 -1.15 0.12 0.00 -0.26 0.00 0.00 58.87 57.71 1snl n SER 29 Cb 0.30 -2.41 0.24 0.00 -0.26 0.00 0.00 64.21 62.09 1snl n SER 29 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1snl n ASP 30 N -2.67 1.75 0.00 4.04 5.75 -1.26 -4.91 116.55 119.24 1snl n ASP 30 Ca -0.22 -1.38 0.00 0.00 -0.01 0.00 0.00 54.79 53.18 1snl n ASP 30 Cb 0.64 0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.92 1snl n ASP 30 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1snl n GLY 31 N 1.34 2.08 3.30 6.12 0.00 -1.26 -4.97 105.19 111.79 1snl n GLY 31 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.36 0.90 -0.17 1.61 -7.23 -1.26 -3.84 120.40 107.05 1snl s VAL 32 Ca 0.00 -2.02 -0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1snl s VAL 32 Cb 0.00 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.64 1snl s VAL 32 CO 0.00 -0.34 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.08 1snl s LEU 33 N -3.27 2.44 0.58 1.32 2.96 0.03 -4.97 118.68 117.78 1snl s LEU 33 Ca 0.28 -0.50 0.08 0.00 -0.22 0.00 0.00 54.13 53.77 1snl s LEU 33 Cb 0.06 -1.56 0.08 0.00 0.50 0.00 0.00 46.19 45.26 1snl s LEU 33 CO 0.08 0.05 0.66 1.51 -1.32 0.00 0.00 176.35 177.33 1snl s ASP 34 N 1.01 4.87 0.00 3.68 -4.77 -1.26 -1.77 116.67 118.43 1snl s ASP 34 Ca -0.02 -1.06 0.12 0.00 -3.30 0.00 0.00 52.55 48.30 1snl s ASP 34 Cb -0.15 0.46 0.56 0.00 -1.09 0.00 0.00 42.92 42.70 1snl s ASP 34 CO -0.03 -1.31 1.35 -0.62 0.70 0.00 0.00 175.17 175.25 1snl n GLU 35 N -2.10 0.07 -0.04 2.11 1.02 -1.25 -1.88 120.64 118.57 1snl n GLU 35 Ca 0.09 0.24 -0.20 0.00 -0.02 0.00 0.00 57.16 57.28 1snl n GLU 35 Cb 0.63 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.11 0.00 3.49 1.08 -1.94 -1.72 115.11 116.13 1snl h GLN 36 Ca 0.00 -0.20 -0.14 0.00 -1.45 0.00 0.00 58.65 56.87 1snl h GLN 36 Cb 0.17 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 1snl h GLN 36 CO 0.00 1.09 -0.65 0.93 -0.95 0.00 0.00 178.83 179.25 1snl h GLU 37 N -0.68 0.00 0.20 1.46 5.08 -1.92 -0.84 114.58 117.88 1snl h GLU 37 Ca -0.24 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.81 1snl h GLU 37 Cb 1.44 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.73 1snl h GLU 37 CO -0.04 0.65 -1.33 1.25 -1.00 0.00 0.00 179.01 178.55 1snl h LEU 38 N 0.00 0.82 -0.05 1.33 5.85 -1.51 -1.80 115.31 119.96 1snl h LEU 38 Ca -0.01 -0.89 -0.14 0.00 0.84 0.00 0.00 57.88 57.68 1snl h LEU 38 Cb 1.20 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.97 1snl h LEU 38 CO 0.09 1.65 -0.53 -0.33 -0.34 0.00 0.00 178.44 178.97 1snl h GLU 39 N 0.13 0.44 -0.10 1.25 4.39 -1.31 -2.42 114.58 116.96 1snl h GLU 39 Ca -0.22 -0.42 -0.12 0.00 0.34 0.00 0.00 59.36 58.94 1snl h GLU 39 Cb 2.03 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.77 1snl h GLU 39 CO 0.25 1.06 -0.47 0.00 -1.16 0.00 0.00 179.01 178.70 1snl h ALA 40 N 0.39 1.03 0.00 3.43 0.00 -1.27 -2.16 119.26 120.67 1snl h ALA 40 Ca -0.05 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1snl h ALA 40 Cb 1.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1snl h ALA 40 CO 0.11 0.63 -0.64 1.25 0.00 0.00 0.00 179.25 180.60 1snl h LEU 41 N 0.20 0.00 0.00 0.00 5.85 -1.36 -2.51 115.31 117.49 1snl h LEU 41 Ca 0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1snl h LEU 41 Cb 0.90 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1snl h LEU 41 CO 0.07 0.64 -0.22 -0.26 -0.34 0.00 0.00 178.44 178.33 1snl h PHE 42 N 0.00 0.00 -0.48 1.25 -1.00 -1.31 -3.02 116.94 112.38 1snl h PHE 42 Ca -0.01 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1snl h PHE 42 Cb 1.32 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.86 1snl h PHE 42 CO 0.00 1.06 0.24 1.15 -1.61 0.00 0.00 178.31 179.15 1snl h THR 43 N -1.00 1.19 -0.35 -1.55 2.02 -1.50 -3.05 112.91 108.66 1snl h THR 43 Ca -0.06 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.52 1snl h THR 43 Cb 1.03 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1snl h THR 43 CO -0.04 0.20 -0.11 0.07 0.37 0.00 0.00 175.52 176.01 1snl h LYS 44 N 0.63 0.70 -0.91 6.66 2.10 -1.60 -2.84 116.57 121.31 1snl h LYS 44 Ca 0.17 -0.28 0.17 0.00 -2.00 0.00 0.00 60.65 58.70 1snl h LYS 44 Cb 0.11 -0.03 -0.07 0.00 -0.90 0.00 0.00 32.23 31.33 1snl h LYS 44 CO -0.02 0.88 0.59 0.93 -2.00 0.00 0.00 179.45 179.82 1snl h GLU 45 N 0.49 0.58 0.00 0.07 5.08 -1.45 1.07 114.58 120.42 1snl h GLU 45 Ca 0.09 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1snl h GLU 45 Cb 0.63 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1snl h GLU 45 CO 0.04 0.39 -0.22 1.25 -1.00 0.00 0.00 179.01 179.47 1snl h LEU 46 N 0.60 0.00 0.00 1.33 5.85 -1.40 -1.36 115.31 120.34 1snl h LEU 46 Ca 0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.20 1snl h LEU 46 Cb 0.91 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.94 1snl h LEU 46 CO -0.22 0.22 0.00 1.21 -0.34 0.00 0.00 178.44 179.31 1snl n GLU 47 N -3.65 0.01 -2.32 1.25 4.07 0.37 -1.57 120.64 118.81 1snl n GLU 47 Ca -0.01 0.18 -0.26 0.00 -0.06 0.00 0.00 57.16 57.01 1snl n GLU 47 Cb 0.35 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 30.24 1snl n GLU 47 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1snl n LYS 48 N -1.18 3.49 0.08 5.31 5.02 -0.51 -4.21 118.16 126.16 1snl n LYS 48 Ca 0.00 -4.39 0.00 0.00 -2.02 0.00 0.00 58.31 51.90 1snl n LYS 48 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 32.75 1snl n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1snl n VAL 49 N -0.56 0.00 1.53 -0.18 0.31 -0.60 -4.86 118.33 113.96 1snl n VAL 49 Ca 0.41 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.75 1snl n VAL 49 Cb 0.77 -0.25 0.03 0.00 -0.91 0.00 0.00 33.84 33.48 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 -2.89 0.12 -2.47 3.52 4.01 -1.24 -4.96 117.16 113.26 1snl n TYR 50 Ca 0.00 -0.05 -0.04 0.00 -0.16 0.00 0.00 57.90 57.65 1snl n TYR 50 Cb 0.00 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 38.96 1snl n TYR 50 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1snl n ASP 51 N -0.20 -3.80 -4.62 7.72 -0.08 -1.26 -4.80 116.55 109.51 1snl n ASP 51 Ca 0.02 1.51 -0.29 0.00 -1.51 0.00 0.00 54.79 54.53 1snl n ASP 51 Cb 0.13 -5.15 0.18 0.00 2.34 0.00 0.00 41.12 38.62 1snl n ASP 51 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1snl s PRO 52 N -0.67 0.35 0.00 -0.67 0.04 -1.26 -3.13 135.00 129.65 1snl s PRO 52 Ca -0.18 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.25 1snl s PRO 52 Cb 0.01 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1snl s PRO 52 CO 0.48 -2.76 0.00 1.63 0.04 0.00 0.00 177.00 176.39 1snl n LYS 53 N -4.17 -1.18 0.00 4.56 5.02 -1.26 -4.71 118.16 116.41 1snl n LYS 53 Ca 0.06 0.29 0.14 0.00 -2.02 0.00 0.00 58.31 56.78 1snl n LYS 53 Cb 0.58 -4.77 0.61 0.00 -0.02 0.00 0.00 35.03 31.43 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 -0.57 0.73 0.00 4.39 5.15 -1.18 -5.00 115.26 118.78 1snl n ASN 54 Ca 0.00 -0.92 0.00 0.00 -0.60 0.00 0.00 54.58 53.06 1snl n ASN 54 Cb 0.29 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 1snl n ASN 54 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1snl n GLU 55 N -0.64 0.00 0.00 1.20 -0.58 -1.26 -4.58 120.64 114.79 1snl n GLU 55 Ca 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1snl n GLU 55 Cb 0.28 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.15 1snl n GLU 55 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1snl n GLU 56 N 6.87 0.00 -1.36 3.49 1.02 -1.26 -4.17 120.64 125.24 1snl n GLU 56 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1snl n GLU 56 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 1snl n GLU 56 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1snl n ASP 57 N 1.47 1.39 -0.58 1.62 9.92 -1.26 -4.68 116.55 124.43 1snl n ASP 57 Ca 0.00 -2.51 0.00 0.00 -0.53 0.00 0.00 54.79 51.75 1snl n ASP 57 Cb 0.00 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.04 1snl n ASP 57 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1snl n ASP 58 N 16.95 0.00 -3.91 -2.24 9.92 -1.26 -4.62 116.55 131.38 1snl n ASP 58 Ca 0.43 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 54.40 1snl n ASP 58 Cb 0.46 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.96 1snl n ASP 58 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1snl n MET 59 N 0.55 -5.03 0.03 -1.24 2.81 -1.26 -4.82 117.12 108.17 1snl n MET 59 Ca 0.00 0.57 0.00 0.00 -1.81 0.00 0.00 57.70 56.46 1snl n MET 59 Cb 0.00 -5.33 0.00 0.00 -0.71 0.00 0.00 33.22 27.18 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 -4.56 0.00 -0.46 0.03 0.63 -1.26 -4.68 116.66 106.35 1snl n ARG 60 Ca -0.04 0.00 0.42 0.00 -0.92 0.00 0.00 57.85 57.30 1snl n ARG 60 Cb 0.56 -0.05 0.77 0.00 0.45 0.00 0.00 32.46 34.19 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 0.00 0.01 -0.07 -0.14 4.39 -1.95 2.41 114.58 119.22 1snl h GLU 61 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1snl h GLU 61 Cb 0.00 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1snl h GLU 61 CO 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 179.01 177.86 1snl n MET 62 N -4.12 1.38 0.00 2.33 0.00 -1.26 -4.11 117.12 111.33 1snl n MET 62 Ca 0.33 -0.56 0.00 0.00 0.00 0.00 0.00 57.70 57.46 1snl n MET 62 Cb 1.52 -1.36 0.00 0.00 0.00 0.00 0.00 33.22 33.38 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 -0.23 0.00 -0.03 3.17 0.00 0.81 -1.69 120.64 122.66 1snl n GLU 63 Ca 0.16 0.06 -0.14 0.00 0.00 0.00 0.00 57.16 57.24 1snl n GLU 63 Cb 0.21 -1.52 -0.10 0.00 0.00 0.00 0.00 31.44 30.02 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 0.09 -0.48 3.44 4.39 -1.79 -2.94 114.58 117.30 1snl h GLU 64 Ca 0.00 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.50 1snl h GLU 64 Cb 0.05 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1snl h GLU 64 CO 0.00 0.72 -0.20 1.49 -1.16 0.00 0.00 179.01 179.85 1snl h GLU 65 N -0.51 0.96 -0.83 2.33 4.57 -1.69 -1.92 114.58 117.50 1snl h GLU 65 Ca -0.00 -0.40 0.11 0.00 -1.18 0.00 0.00 59.36 57.89 1snl h GLU 65 Cb 0.73 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.22 1snl h GLU 65 CO 0.02 1.07 0.54 -0.09 -1.18 0.00 0.00 179.01 179.37 1snl h ARG 66 N 0.84 0.70 0.00 1.92 2.43 -1.63 -0.71 114.38 117.93 1snl h ARG 66 Ca 0.11 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.05 1snl h ARG 66 Cb 0.77 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 1snl h ARG 66 CO 0.06 0.46 -0.97 -0.07 -1.51 0.00 0.00 179.97 177.94 1snl h LEU 67 N 0.72 0.00 -0.55 3.80 3.38 -1.30 -2.17 115.31 119.19 1snl h LEU 67 Ca 0.39 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.26 1snl h LEU 67 Cb 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1snl h LEU 67 CO -0.16 0.83 -0.07 -0.09 0.09 0.00 0.00 178.44 179.04 1snl h ARG 68 N 0.00 1.02 0.00 1.13 1.12 -0.35 -2.02 114.38 115.28 1snl h ARG 68 Ca -0.05 -0.36 -0.11 0.00 -1.11 0.00 0.00 59.98 58.35 1snl h ARG 68 Cb 1.68 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 31.55 1snl h ARG 68 CO 0.10 1.05 -0.60 0.52 -3.11 0.00 0.00 179.97 177.93 1snl h MET 69 N 0.90 0.00 -0.46 0.20 0.00 -1.45 -3.03 114.93 111.09 1snl h MET 69 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 59.70 59.98 1snl h MET 69 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 32.22 1snl h MET 69 CO 0.04 0.98 0.40 -0.09 0.00 0.00 0.00 176.91 178.24 1snl h ARG 70 N -1.00 0.00 0.00 1.72 2.43 -1.48 -1.91 114.38 114.15 1snl h ARG 70 Ca -0.16 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1snl h ARG 70 Cb 1.13 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1snl h ARG 70 CO -0.10 0.00 -0.03 0.93 -1.51 0.00 0.00 179.97 179.26 1snl h GLU 71 N 0.00 0.00 -0.75 0.20 5.08 -1.46 -3.01 114.58 114.64 1snl h GLU 71 Ca 0.22 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.72 1snl h GLU 71 Cb 1.01 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 1snl h GLU 71 CO -0.00 0.88 0.50 1.25 -1.00 0.00 0.00 179.01 180.64 1snl h HIS 72 N -1.00 0.52 0.14 4.33 2.76 -1.27 0.69 115.15 121.32 1snl h HIS 72 Ca -0.01 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1snl h HIS 72 Cb 0.89 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.68 1snl h HIS 72 CO 0.24 0.20 -0.07 0.28 -1.30 0.00 0.00 177.93 177.29 1snl h VAL 73 N 0.45 0.91 0.00 5.26 2.07 -1.47 0.12 116.25 123.60 1snl h VAL 73 Ca 0.37 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1snl h VAL 73 Cb 0.79 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1snl h VAL 73 CO -0.12 0.24 0.00 0.24 0.02 0.00 0.00 177.57 177.95 1snl h MET 74 N -0.85 0.00 0.06 1.57 2.07 -1.32 0.20 114.93 116.66 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 0.54 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.23 1snl h MET 74 CO 0.03 0.00 -2.17 1.17 1.07 0.00 0.00 176.91 177.01 1snl n LYS 75 N -2.73 0.71 0.00 1.72 4.81 0.20 -3.59 118.16 119.28 1snl n LYS 75 Ca -0.01 0.21 0.11 0.00 -0.87 0.00 0.00 58.31 57.74 1snl n LYS 75 Cb 0.11 -1.64 -0.03 0.00 0.02 0.00 0.00 35.03 33.49 1snl n LYS 75 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1snl n ASN 76 N -3.32 1.05 -0.02 3.14 5.03 0.02 -4.55 115.26 116.61 1snl n ASN 76 Ca -0.36 -0.94 -0.03 0.00 0.87 0.00 0.00 54.58 54.12 1snl n ASN 76 Cb 1.03 0.78 -0.03 0.00 -1.02 0.00 0.00 39.78 40.55 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 -1.28 0.28 -1.43 2.41 0.31 0.67 -4.96 118.33 114.33 1snl n VAL 77 Ca 0.05 -0.14 -0.50 0.00 -0.01 0.00 0.00 64.34 63.74 1snl n VAL 77 Cb 0.35 -0.81 -0.08 0.00 -0.91 0.00 0.00 33.84 32.39 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 -2.35 1.74 -0.02 4.52 5.75 -1.21 -4.82 116.55 120.16 1snl n ASP 78 Ca -0.07 0.34 -0.00 0.00 -0.01 0.00 0.00 54.79 55.04 1snl n ASP 78 Cb 0.62 -1.20 -0.00 0.00 -1.03 0.00 0.00 41.12 39.50 1snl n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1snl h THR 79 N 7.24 0.00 -0.61 2.12 1.03 -1.91 -3.39 112.91 117.38 1snl h THR 79 Ca -0.22 -0.34 -0.21 0.00 -0.01 0.00 0.00 66.41 65.64 1snl h THR 79 Cb 1.33 0.00 -0.12 0.00 -1.07 0.00 0.00 68.15 68.29 1snl h THR 79 CO 1.08 0.00 0.20 0.59 -0.01 0.00 0.00 175.52 177.39 1snl n ASN 80 N -2.97 4.10 -1.72 0.00 5.03 -1.26 -4.91 115.26 113.53 1snl n ASN 80 Ca -0.01 -3.34 0.00 0.00 0.87 0.00 0.00 54.58 52.10 1snl n ASN 80 Cb 0.03 -0.70 0.00 0.00 -1.02 0.00 0.00 39.78 38.09 1snl n ASN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1snl n GLN 81 N -0.52 -2.03 -0.04 3.52 1.13 -1.26 -4.61 117.38 113.57 1snl n GLN 81 Ca 0.38 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.45 1snl n GLN 81 Cb 1.27 -3.72 0.02 0.00 0.11 0.00 0.00 30.24 27.93 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 -0.49 0.56 0.00 1.08 2.03 -1.26 -4.78 116.55 113.70 1snl n ASP 82 Ca 0.00 -2.02 0.00 0.00 0.52 0.00 0.00 54.79 53.29 1snl n ASP 82 Cb 0.27 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 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 -0.24 0.00 -4.97 -0.67 1.74 -1.26 -4.91 116.66 106.35 1snl n ARG 83 Ca 0.02 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.77 1snl n ARG 83 Cb 0.12 -3.59 -0.15 0.00 -1.02 0.00 0.00 32.46 27.82 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 2.51 -0.14 0.55 1.43 -1.26 -3.93 118.68 117.84 1snl s LEU 84 Ca 0.00 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1snl s LEU 84 Cb 0.00 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 1snl s LEU 84 CO 0.00 0.23 -0.08 -0.69 0.23 0.00 0.00 176.35 176.04 1snl s VAL 85 N -0.04 3.56 0.24 -1.59 1.01 -0.73 -4.77 120.40 118.08 1snl s VAL 85 Ca -0.05 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.52 1snl s VAL 85 Cb -0.14 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1snl s VAL 85 CO 0.04 0.51 0.22 0.42 0.00 0.00 0.00 175.10 176.29 1snl s THR 86 N 0.24 4.59 0.32 3.92 -4.23 -1.26 -0.79 115.64 118.43 1snl s THR 86 Ca -0.05 -1.30 0.01 0.00 -1.18 0.00 0.00 61.69 59.17 1snl s THR 86 Cb -0.14 -3.47 0.23 0.00 1.34 0.00 0.00 72.50 70.46 1snl s THR 86 CO 0.04 -0.32 1.95 0.25 -0.54 0.00 0.00 174.62 176.00 1snl h LEU 87 N 1.55 0.75 0.10 4.79 5.85 -1.97 -0.77 115.31 125.62 1snl h LEU 87 Ca -0.49 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.17 1snl h LEU 87 Cb 1.23 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1snl h LEU 87 CO 0.61 0.62 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.92 1snl h GLU 88 N 0.85 -0.16 -0.37 1.25 5.08 -1.94 -1.39 114.58 117.89 1snl h GLU 88 Ca 0.22 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1snl h GLU 88 Cb 0.03 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1snl h GLU 88 CO -0.03 -0.11 0.02 0.93 -1.00 0.00 0.00 179.01 178.82 1snl h GLU 89 N -0.17 0.58 -0.10 2.33 4.39 -1.97 -2.94 114.58 116.69 1snl h GLU 89 Ca -0.01 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.58 1snl h GLU 89 Cb 0.14 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1snl h GLU 89 CO 0.01 0.59 -0.01 0.35 -1.16 0.00 0.00 179.01 178.79 1snl h PHE 90 N 0.55 -0.02 -0.64 4.33 3.57 -1.07 -1.79 116.94 121.86 1snl h PHE 90 Ca 0.12 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.75 1snl h PHE 90 Cb 0.33 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.00 1snl h PHE 90 CO 0.01 -0.02 0.18 -0.07 -2.23 0.00 0.00 178.31 176.17 1snl h LEU 91 N 0.02 0.08 -0.78 0.59 3.38 -1.08 -1.12 115.31 116.41 1snl h LEU 91 Ca 0.05 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.28 1snl h LEU 91 Cb 0.06 0.14 -0.14 0.00 0.09 0.00 0.00 40.66 40.80 1snl h LEU 91 CO -0.09 0.04 -0.25 0.00 0.09 0.00 0.00 178.44 178.23 1snl h ALA 92 N 1.50 0.36 -0.38 1.53 0.00 -1.22 0.74 119.26 121.80 1snl h ALA 92 Ca 0.34 0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.58 1snl h ALA 92 Cb 0.51 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1snl h ALA 92 CO -0.40 -0.49 0.26 0.66 0.00 0.00 0.00 179.25 179.27 1snl h SER 93 N -0.04 0.24 0.00 0.00 4.64 -1.06 -3.33 113.55 113.99 1snl h SER 93 Ca 0.35 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1snl h SER 93 Cb 0.58 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1snl h SER 93 CO -0.81 0.16 -0.02 0.35 -0.87 0.00 0.00 176.83 175.63 1snl n THR 94 N -4.48 0.05 -0.82 2.95 -2.24 0.21 -4.97 114.28 104.98 1snl n THR 94 Ca 0.05 0.49 -0.35 0.00 -2.27 0.00 0.00 64.05 61.97 1snl n THR 94 Cb 0.25 -1.53 0.10 0.00 -2.10 0.00 0.00 70.33 67.06 1snl n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1snl n GLN 95 N -2.42 -0.87 -3.11 -0.78 10.64 0.13 -5.00 117.38 115.98 1snl n GLN 95 Ca -0.00 -0.25 0.02 0.00 -1.83 0.00 0.00 57.00 54.94 1snl n GLN 95 Cb 0.01 -1.35 -0.00 0.00 -0.86 0.00 0.00 30.24 28.03 1snl n GLN 95 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1snl s ARG 96 N -2.75 0.57 -0.43 2.61 3.00 -1.26 -4.81 118.95 115.89 1snl s ARG 96 Ca 0.46 0.01 0.01 0.00 -1.00 0.00 0.00 55.73 55.21 1snl s ARG 96 Cb -0.01 0.12 0.22 0.00 0.00 0.00 0.00 34.95 35.28 1snl s ARG 96 CO 0.65 -0.89 0.95 1.17 0.00 0.00 0.00 175.30 177.17 1snl n LYS 97 N 4.60 0.36 -0.61 5.12 3.00 -1.26 -5.04 118.16 124.33 1snl n LYS 97 Ca 0.08 -1.38 -0.33 0.00 -0.00 0.00 0.00 58.31 56.69 1snl n LYS 97 Cb 0.57 -0.73 -0.07 0.00 0.00 0.00 0.00 35.03 34.81 1snl n LYS 97 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1snl n GLU 98 N 2.46 0.68 -0.25 1.64 0.28 -1.26 -5.26 120.64 118.93 1snl n GLU 98 Ca 0.12 -1.19 0.00 0.00 -0.16 0.00 0.00 57.16 55.93 1snl n GLU 98 Cb 0.62 -2.51 0.00 0.00 1.43 0.00 0.00 31.44 30.98 1snl n GLU 98 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31