#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snl s LYS 2 N 0.00 3.86 0.00 3.23 1.02 -1.26 -4.97 119.74 121.61 1snl s LYS 2 Ca 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 55.97 54.25 1snl s LYS 2 Cb 0.00 -5.45 0.00 0.00 -0.52 0.00 0.00 37.83 31.86 1snl s LYS 2 CO 0.00 -2.21 0.00 0.39 -0.92 0.00 0.00 175.35 172.61 1snl n GLU 3 N 8.39 -0.58 -0.13 1.68 4.71 -1.26 -4.81 120.64 128.64 1snl n GLU 3 Ca 0.43 0.00 0.10 0.00 -0.01 0.00 0.00 57.16 57.68 1snl n GLU 3 Cb 0.48 0.00 0.45 0.00 -1.01 0.00 0.00 31.44 31.35 1snl n GLU 3 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1snl h VAL 4 N -1.40 0.92 -3.87 2.62 2.07 -2.08 -3.42 116.25 111.10 1snl h VAL 4 Ca 0.00 -0.18 -0.49 0.00 0.82 0.00 0.00 66.70 66.85 1snl h VAL 4 Cb 0.00 0.34 0.20 0.00 -1.52 0.00 0.00 31.29 30.32 1snl h VAL 4 CO 0.00 0.10 0.14 0.26 0.02 0.00 0.00 177.57 178.09 1snl s TRP 5 N -5.50 1.51 -0.32 1.57 0.52 -1.26 -5.03 118.94 110.44 1snl s TRP 5 Ca -0.08 1.56 -0.03 0.00 0.02 0.00 0.00 56.10 57.57 1snl s TRP 5 Cb 0.20 -3.24 0.19 0.00 -1.15 0.00 0.00 33.47 29.46 1snl s TRP 5 CO 0.76 -3.24 0.85 -2.00 0.02 0.00 0.00 176.95 173.34 1snl s GLU 6 N -4.57 0.38 3.86 4.98 2.12 -1.26 -4.98 118.70 119.23 1snl s GLU 6 Ca 0.67 0.14 0.00 0.00 0.36 0.00 0.00 54.97 56.15 1snl s GLU 6 Cb -0.24 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.27 1snl s GLU 6 CO 0.61 -0.64 0.00 0.39 -0.54 0.00 0.00 175.26 175.08 1snl n GLU 7 N 4.79 0.00 -2.18 4.30 1.02 -1.26 -2.82 120.64 124.49 1snl n GLU 7 Ca 0.08 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.20 1snl n GLU 7 Cb 0.58 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 32.05 1snl n GLU 7 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1snl n LEU 8 N 0.00 -0.42 0.00 -4.62 -0.00 -1.26 -4.94 117.00 105.76 1snl n LEU 8 Ca 0.00 -2.75 0.00 0.00 -0.00 0.00 0.00 56.01 53.26 1snl n LEU 8 Cb 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 1snl n LEU 8 CO 0.00 1.38 0.00 0.47 -0.00 0.00 0.00 177.39 179.24 1snl n ASP 9 N -0.75 0.00 -3.26 1.45 8.00 -1.13 -3.41 116.55 117.46 1snl n ASP 9 Ca -0.12 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.23 1snl n ASP 9 Cb 0.85 -1.48 0.07 0.00 -0.02 0.00 0.00 41.12 40.54 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 -2.00 -1.17 2.30 0.44 0.00 -1.26 -4.76 105.19 98.75 1snl n GLY 10 Ca 0.00 0.59 -0.09 0.00 0.00 0.00 0.00 46.02 46.52 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 -3.24 3.07 -2.70 0.99 4.77 -1.22 -3.89 117.00 114.78 1snl n LEU 11 Ca -0.07 -2.05 -0.06 0.00 -0.03 0.00 0.00 56.01 53.80 1snl n LEU 11 Cb 0.62 -0.80 0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1snl n LEU 11 CO 0.59 0.64 0.43 -0.67 -1.33 0.00 0.00 177.39 177.05 1snl n ASP 12 N 2.98 -1.96 0.20 -1.43 2.03 -1.26 -4.99 116.55 112.12 1snl n ASP 12 Ca 0.26 -2.32 0.12 0.00 0.52 0.00 0.00 54.79 53.37 1snl n ASP 12 Cb 0.43 1.15 0.64 0.00 -0.72 0.00 0.00 41.12 42.62 1snl n ASP 12 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1snl h PRO 13 N 3.59 0.00 -4.40 -0.67 0.11 -1.96 -3.33 132.00 125.34 1snl h PRO 13 Ca -0.18 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.36 1snl h PRO 13 Cb 1.14 0.00 0.06 0.00 0.11 0.00 0.00 31.00 32.31 1snl h PRO 13 CO 0.01 0.00 2.13 -1.71 -0.21 0.00 0.00 178.00 178.21 1snl n ASN 14 N -2.38 2.47 0.00 -2.05 4.05 -1.26 -4.69 115.26 111.41 1snl n ASN 14 Ca -0.02 -2.57 0.00 0.00 0.45 0.00 0.00 54.58 52.45 1snl n ASN 14 Cb 0.15 -0.98 0.00 0.00 1.23 0.00 0.00 39.78 40.18 1snl n ASN 14 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 177.26 172.10 1snl n ARG 15 N 6.70 0.00 -0.08 1.20 1.85 -1.25 -5.16 116.66 119.92 1snl n ARG 15 Ca 0.46 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 57.26 1snl n ARG 15 Cb 0.35 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 31.81 1snl n ARG 15 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1snl n PHE 16 N 0.00 -1.88 -3.64 2.89 3.01 -1.26 -4.22 117.46 112.36 1snl n PHE 16 Ca 0.00 -0.10 -0.27 0.00 1.01 0.00 0.00 57.45 58.09 1snl n PHE 16 Cb 0.00 -0.30 0.03 0.00 -0.01 0.00 0.00 39.48 39.20 1snl n PHE 16 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1snl n ASN 17 N -2.57 -5.54 0.28 4.37 4.05 -1.26 -4.82 115.26 109.78 1snl n ASN 17 Ca 0.02 -0.89 0.17 0.00 0.45 0.00 0.00 54.58 54.33 1snl n ASN 17 Cb 0.10 -3.25 0.82 0.00 1.23 0.00 0.00 39.78 38.69 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 -1.33 0.00 -0.70 1.20 0.13 -1.92 -2.92 132.00 126.46 1snl h PRO 18 Ca -0.57 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.63 1snl h PRO 18 Cb 1.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 1snl h PRO 18 CO 0.44 0.06 0.46 -0.22 -0.23 0.00 0.00 178.00 178.51 1snl h LYS 19 N 0.00 0.67 -0.27 0.86 3.64 -1.95 -2.29 116.57 117.23 1snl h LYS 19 Ca -0.00 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 1snl h LYS 19 Cb 0.34 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1snl h LYS 19 CO 0.01 0.45 -0.45 1.15 -2.27 0.00 0.00 179.45 178.33 1snl h THR 20 N 0.69 1.29 -0.81 1.00 2.02 -1.87 -2.93 112.91 112.31 1snl h THR 20 Ca 0.31 -1.65 0.09 0.00 0.77 0.00 0.00 66.41 65.93 1snl h THR 20 Cb 0.31 1.67 -0.06 0.00 -1.74 0.00 0.00 68.15 68.33 1snl h THR 20 CO -0.10 0.53 0.53 0.15 0.37 0.00 0.00 175.52 177.00 1snl h PHE 21 N 0.54 0.82 -0.27 3.16 3.04 -1.57 0.08 116.94 122.76 1snl h PHE 21 Ca 0.02 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.90 1snl h PHE 21 Cb 1.06 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 1snl h PHE 21 CO 0.08 0.39 -0.23 0.35 -2.02 0.00 0.00 178.31 176.87 1snl h PHE 22 N 0.77 0.56 0.25 0.41 3.04 -1.34 -2.36 116.94 118.27 1snl h PHE 22 Ca 0.37 -0.12 -0.01 0.00 3.98 0.00 0.00 57.97 62.19 1snl h PHE 22 Cb 0.41 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.78 1snl h PHE 22 CO -0.00 0.70 -0.12 0.82 -2.02 0.00 0.00 178.31 177.69 1snl h ILE 23 N 0.45 0.00 -1.09 1.41 2.04 -0.87 -2.67 117.51 116.78 1snl h ILE 23 Ca 0.07 -0.64 0.31 0.00 1.00 0.00 0.00 64.86 65.60 1snl h ILE 23 Cb 0.65 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.62 1snl h ILE 23 CO 0.05 0.00 0.68 0.25 0.00 0.00 0.00 178.15 179.12 1snl h LEU 24 N -0.97 0.45 -0.50 1.44 5.85 -1.25 1.17 115.31 121.51 1snl h LEU 24 Ca -0.03 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1snl h LEU 24 Cb 0.25 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1snl h LEU 24 CO 0.06 -0.01 0.00 0.45 -0.34 0.00 0.00 178.44 178.59 1snl h HIS 25 N 0.34 0.00 -1.04 1.25 3.86 -1.47 -3.40 115.15 114.69 1snl h HIS 25 Ca 0.68 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 59.41 1snl h HIS 25 Cb 1.73 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 30.12 1snl h HIS 25 CO -0.01 0.00 1.20 0.34 0.86 0.00 0.00 177.93 180.32 1snl s ASP 26 N -5.48 5.96 -0.04 2.45 -1.08 0.40 -4.81 116.67 114.08 1snl s ASP 26 Ca 0.06 -1.08 -0.24 0.00 -0.52 0.00 0.00 52.55 50.77 1snl s ASP 26 Cb 0.08 -2.56 -0.18 0.00 -1.46 0.00 0.00 42.92 38.79 1snl s ASP 26 CO 0.58 -2.00 1.08 0.40 0.52 0.00 0.00 175.17 175.76 1snl h ILE 27 N 6.94 1.12 -0.15 4.11 2.04 -1.80 -3.11 117.51 126.67 1snl h ILE 27 Ca 0.13 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1snl h ILE 27 Cb 1.01 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 1snl h ILE 27 CO 1.34 0.26 0.00 0.59 0.00 0.00 0.00 178.15 180.34 1snl n ASN 28 N -4.90 1.00 -4.28 1.72 5.03 -1.26 -4.88 115.26 107.69 1snl n ASN 28 Ca -0.08 -2.03 -0.35 0.00 0.87 0.00 0.00 54.58 52.98 1snl n ASN 28 Cb 0.27 -0.17 -0.05 0.00 -1.02 0.00 0.00 39.78 38.81 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 -0.02 -1.56 -0.23 6.41 2.88 -1.18 -4.77 113.62 115.15 1snl n SER 29 Ca 0.05 -1.13 0.14 0.00 -1.33 0.00 0.00 58.87 56.60 1snl n SER 29 Cb 0.18 -2.27 0.54 0.00 -0.75 0.00 0.00 64.21 61.91 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 -2.71 0.85 0.00 -3.46 2.03 -1.26 -4.89 116.55 107.12 1snl n ASP 30 Ca -0.06 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.33 1snl n ASP 30 Cb 0.56 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 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 1.26 0.98 3.15 0.27 0.00 -1.26 -4.98 105.19 104.61 1snl n GLY 31 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.73 0.16 -0.12 1.61 -7.23 -1.26 -3.59 120.40 106.24 1snl s VAL 32 Ca 0.00 -1.63 -0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1snl s VAL 32 Cb 0.00 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.32 1snl s VAL 32 CO 0.00 -0.75 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.17 1snl s LEU 33 N -2.93 2.83 0.48 1.32 1.02 -1.02 -4.97 118.68 115.41 1snl s LEU 33 Ca 0.11 -0.26 0.07 0.00 0.02 0.00 0.00 54.13 54.07 1snl s LEU 33 Cb 0.07 -1.63 0.02 0.00 0.02 0.00 0.00 46.19 44.66 1snl s LEU 33 CO -0.07 0.20 0.46 1.51 0.02 0.00 0.00 176.35 178.47 1snl s ASP 34 N 0.16 4.94 0.00 2.29 -4.77 -1.26 -2.64 116.67 115.38 1snl s ASP 34 Ca -0.06 -0.92 0.00 0.00 -3.30 0.00 0.00 52.55 48.27 1snl s ASP 34 Cb -0.15 -0.11 0.00 0.00 -1.09 0.00 0.00 42.92 41.58 1snl s ASP 34 CO 0.04 -0.92 0.88 -0.62 0.70 0.00 0.00 175.17 175.25 1snl n GLU 35 N -1.74 0.00 0.07 2.11 1.02 -1.25 -1.53 120.64 119.32 1snl n GLU 35 Ca 0.04 0.38 -0.23 0.00 -0.02 0.00 0.00 57.16 57.33 1snl n GLU 35 Cb 0.62 -1.51 -0.15 0.00 -0.02 0.00 0.00 31.44 30.39 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 0.40 -0.16 3.49 1.08 -1.94 -2.40 115.11 115.59 1snl h GLN 36 Ca 0.00 -0.68 -0.10 0.00 -1.45 0.00 0.00 58.65 56.43 1snl h GLN 36 Cb 0.01 0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1snl h GLN 36 CO 0.00 1.32 -0.32 0.93 -0.95 0.00 0.00 178.83 179.81 1snl h GLU 37 N 0.09 0.31 0.22 1.46 5.08 -1.65 -2.12 114.58 117.96 1snl h GLU 37 Ca -0.34 -0.13 -0.32 0.00 -1.00 0.00 0.00 59.36 57.57 1snl h GLU 37 Cb 2.09 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 31.35 1snl h GLU 37 CO 0.18 0.61 -1.44 -0.07 -1.00 0.00 0.00 179.01 177.28 1snl h LEU 38 N 0.27 0.71 -0.83 1.33 3.38 -1.66 -2.57 115.31 115.95 1snl h LEU 38 Ca 0.03 -0.78 0.01 0.00 0.09 0.00 0.00 57.88 57.24 1snl h LEU 38 Cb 0.71 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1snl h LEU 38 CO 0.05 1.62 0.55 -0.33 0.09 0.00 0.00 178.44 180.42 1snl h GLU 39 N 0.12 1.08 0.00 1.13 3.07 -1.30 -1.63 114.58 117.04 1snl h GLU 39 Ca -0.23 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.43 1snl h GLU 39 Cb 2.11 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 29.76 1snl h GLU 39 CO 0.25 0.71 -0.65 0.00 -1.40 0.00 0.00 179.01 177.92 1snl h ALA 40 N 1.31 0.85 0.00 3.43 0.00 -1.45 -3.00 119.26 120.40 1snl h ALA 40 Ca 0.31 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1snl h ALA 40 Cb -0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1snl h ALA 40 CO -0.07 0.81 -0.56 1.25 0.00 0.00 0.00 179.25 180.68 1snl h LEU 41 N 0.00 0.00 0.02 0.00 6.46 -0.96 -2.12 115.31 118.71 1snl h LEU 41 Ca -0.01 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1snl h LEU 41 Cb 1.20 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1snl h LEU 41 CO 0.08 0.56 -0.18 -0.26 -0.62 0.00 0.00 178.44 178.02 1snl h PHE 42 N 0.00 0.08 -0.70 1.25 0.04 -1.31 -2.02 116.94 114.27 1snl h PHE 42 Ca -0.01 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 1snl h PHE 42 Cb 1.27 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.38 1snl h PHE 42 CO 0.00 1.07 0.21 1.15 -0.60 0.00 0.00 178.31 180.13 1snl h THR 43 N -0.91 1.26 -0.02 -1.55 2.02 -1.63 -2.99 112.91 109.09 1snl h THR 43 Ca -0.04 -0.91 -0.06 0.00 0.77 0.00 0.00 66.41 66.18 1snl h THR 43 Cb 1.11 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1snl h THR 43 CO 0.01 0.35 -0.23 0.50 0.37 0.00 0.00 175.52 176.53 1snl h LYS 44 N 1.05 0.18 -0.56 6.66 3.64 -1.50 -3.14 116.57 122.90 1snl h LYS 44 Ca 0.23 -0.17 0.16 0.00 -1.27 0.00 0.00 60.65 59.59 1snl h LYS 44 Cb 0.32 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1snl h LYS 44 CO -0.01 0.88 0.44 1.49 -2.27 0.00 0.00 179.45 179.99 1snl h GLU 45 N -0.45 0.00 0.00 1.90 4.22 -1.37 0.34 114.58 119.22 1snl h GLU 45 Ca -0.02 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.33 1snl h GLU 45 Cb 0.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1snl h GLU 45 CO 0.05 0.00 -0.42 -0.07 -2.18 0.00 0.00 179.01 176.39 1snl h LEU 46 N 0.00 0.00 0.00 1.64 3.38 -1.52 -3.09 115.31 115.72 1snl h LEU 46 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1snl h LEU 46 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1snl h LEU 46 CO -0.00 0.42 0.00 -1.84 0.09 0.00 0.00 178.44 177.11 1snl n GLU 47 N -3.27 0.67 -0.62 1.13 0.28 0.12 -2.81 120.64 116.14 1snl n GLU 47 Ca 0.02 0.01 0.01 0.00 -0.16 0.00 0.00 57.16 57.04 1snl n GLU 47 Cb 0.66 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 32.24 1snl n GLU 47 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1snl n LYS 48 N -1.13 2.06 0.00 3.44 5.02 -1.17 -4.28 118.16 122.10 1snl n LYS 48 Ca 0.18 -3.04 0.00 0.00 -2.02 0.00 0.00 58.31 53.43 1snl n LYS 48 Cb 0.15 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 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 -0.99 0.00 0.11 -0.18 0.31 -1.19 -4.89 118.33 111.50 1snl n VAL 49 Ca 0.27 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.63 1snl n VAL 49 Cb 0.94 -0.22 -0.00 0.00 -0.91 0.00 0.00 33.84 33.64 1snl n VAL 49 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1snl h TYR 50 N 0.00 0.00 -5.01 3.52 -1.99 -1.80 -3.49 116.97 108.19 1snl h TYR 50 Ca 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1snl h TYR 50 Cb 0.00 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.74 1snl h TYR 50 CO 0.00 0.49 -0.06 -3.47 -0.00 0.00 0.00 178.16 175.12 1snl n ASP 51 N -3.10 -6.84 -3.44 3.88 2.03 -1.26 -4.99 116.55 102.83 1snl n ASP 51 Ca -0.01 -0.10 -0.30 0.00 0.52 0.00 0.00 54.79 54.89 1snl n ASP 51 Cb 0.75 -4.65 0.29 0.00 -0.72 0.00 0.00 41.12 36.80 1snl n ASP 51 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1snl s PRO 52 N -3.10 -3.10 0.00 -0.67 0.02 -1.26 -5.05 135.00 121.84 1snl s PRO 52 Ca 0.03 0.20 0.00 0.00 0.02 0.00 0.00 61.00 61.25 1snl s PRO 52 Cb -0.00 -1.35 0.00 0.00 0.02 0.00 0.00 34.50 33.16 1snl s PRO 52 CO 0.63 -5.00 0.00 1.63 -0.33 0.00 0.00 177.00 173.93 1snl n LYS 53 N -5.73 0.00 -2.98 5.54 5.02 -1.26 -5.13 118.16 113.61 1snl n LYS 53 Ca 0.12 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.46 1snl n LYS 53 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 1snl n LYS 53 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1snl s ASN 54 N 1.00 -0.04 0.34 4.39 6.03 -1.26 -5.18 114.94 120.22 1snl s ASN 54 Ca 0.00 -0.00 0.02 0.00 -1.03 0.00 0.00 52.86 51.84 1snl s ASN 54 Cb 0.00 0.70 -0.01 0.00 -3.03 0.00 0.00 41.25 38.91 1snl s ASN 54 CO 0.00 -0.01 0.41 -1.61 -2.03 0.00 0.00 177.10 173.86 1snl s GLU 55 N 2.65 1.88 0.00 3.55 2.02 -1.26 -5.11 118.70 122.43 1snl s GLU 55 Ca 0.27 -1.88 0.00 0.00 0.02 0.00 0.00 54.97 53.38 1snl s GLU 55 Cb 0.02 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.65 1snl s GLU 55 CO -0.20 -0.75 0.00 0.39 0.02 0.00 0.00 175.26 174.72 1snl n GLU 56 N -0.60 0.00 -0.99 1.61 1.02 -1.26 -4.66 120.64 115.75 1snl n GLU 56 Ca 0.03 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.21 1snl n GLU 56 Cb 0.62 -0.36 0.05 0.00 -0.02 0.00 0.00 31.44 31.73 1snl n GLU 56 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1snl n ASP 57 N 0.00 0.94 -0.22 1.62 2.03 -1.26 -4.85 116.55 114.80 1snl n ASP 57 Ca 0.00 -2.36 0.00 0.00 0.52 0.00 0.00 54.79 52.95 1snl n ASP 57 Cb 0.00 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 1snl n ASP 57 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1snl n ASP 58 N -0.02 0.05 -0.01 1.67 8.00 -1.26 -2.37 116.55 122.62 1snl n ASP 58 Ca 0.07 -0.25 0.15 0.00 0.71 0.00 0.00 54.79 55.47 1snl n ASP 58 Cb 0.92 -0.03 0.77 0.00 -0.02 0.00 0.00 41.12 42.77 1snl n ASP 58 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1snl n MET 59 N -0.09 0.55 -0.35 -1.24 1.56 -1.26 -3.83 117.12 112.47 1snl n MET 59 Ca 0.00 -0.03 0.24 0.00 -0.27 0.00 0.00 57.70 57.65 1snl n MET 59 Cb 0.01 -1.50 0.49 0.00 2.15 0.00 0.00 33.22 34.37 1snl n MET 59 CO 0.00 0.00 0.00 -0.09 -0.73 0.00 0.00 175.97 175.15 1snl h ARG 60 N 0.07 0.33 -7.18 2.12 2.43 -1.91 -3.36 114.38 106.87 1snl h ARG 60 Ca 0.00 -0.02 -0.46 0.00 -0.81 0.00 0.00 59.98 58.69 1snl h ARG 60 Cb 0.25 -0.07 0.21 0.00 -0.42 0.00 0.00 29.97 29.93 1snl h ARG 60 CO 0.00 0.22 0.07 -1.21 -1.51 0.00 0.00 179.97 177.53 1snl s GLU 61 N -5.62 -0.45 0.00 0.20 0.41 -1.25 -2.11 118.70 109.88 1snl s GLU 61 Ca -0.10 1.00 0.00 0.00 -0.41 0.00 0.00 54.97 55.46 1snl s GLU 61 Cb 0.29 -1.60 0.00 0.00 -1.78 0.00 0.00 34.13 31.05 1snl s GLU 61 CO 0.79 -3.45 0.00 -0.12 -0.49 0.00 0.00 175.26 171.99 1snl n MET 62 N -4.75 0.00 0.00 1.61 1.56 -1.26 -4.65 117.12 109.63 1snl n MET 62 Ca 0.05 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 1snl n MET 62 Cb 0.54 -3.28 0.03 0.00 2.15 0.00 0.00 33.22 32.66 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 -1.58 0.04 -0.11 2.12 0.28 -0.90 -2.74 120.64 117.75 1snl n GLU 63 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.89 1snl n GLU 63 Cb 0.00 -1.35 -0.03 0.00 1.43 0.00 0.00 31.44 31.49 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 0.61 0.00 3.44 5.08 -1.82 -2.92 114.58 118.98 1snl h GLU 64 Ca 0.00 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 1snl h GLU 64 Cb 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1snl h GLU 64 CO 0.00 0.79 -0.35 1.49 -1.00 0.00 0.00 179.01 179.94 1snl h GLU 65 N 0.39 0.00 -0.92 2.33 4.57 -1.93 -2.68 114.58 116.34 1snl h GLU 65 Ca 0.08 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.41 1snl h GLU 65 Cb 0.56 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.08 1snl h GLU 65 CO 0.03 0.35 0.59 -0.09 -1.18 0.00 0.00 179.01 178.71 1snl h ARG 66 N 0.00 0.70 0.00 1.92 1.12 -1.69 0.20 114.38 116.63 1snl h ARG 66 Ca -0.00 -0.04 -0.18 0.00 -1.11 0.00 0.00 59.98 58.65 1snl h ARG 66 Cb 0.75 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 30.52 1snl h ARG 66 CO 0.05 0.47 -0.85 -0.07 -3.11 0.00 0.00 179.97 176.45 1snl h LEU 67 N 0.72 0.00 -0.88 3.80 3.38 -1.53 -2.08 115.31 118.72 1snl h LEU 67 Ca 0.47 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.36 1snl h LEU 67 Cb 0.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1snl h LEU 67 CO -0.23 0.85 -0.01 -0.09 0.09 0.00 0.00 178.44 179.05 1snl h ARG 68 N 0.00 0.81 0.15 1.13 9.65 -0.52 -0.36 114.38 125.25 1snl h ARG 68 Ca -0.01 -0.23 -0.33 0.00 -1.10 0.00 0.00 59.98 58.31 1snl h ARG 68 Cb 1.63 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 30.12 1snl h ARG 68 CO 0.11 0.82 -1.67 0.52 2.80 0.00 0.00 179.97 182.55 1snl h MET 69 N 0.75 0.32 0.13 0.20 2.86 -1.30 -2.82 114.93 115.08 1snl h MET 69 Ca 0.14 -0.55 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 1snl h MET 69 Cb 0.48 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1snl h MET 69 CO 0.02 1.21 -0.06 -0.09 1.06 0.00 0.00 176.91 179.05 1snl h ARG 70 N 0.09 -0.17 0.08 1.72 1.12 -1.32 -1.92 114.38 113.98 1snl h ARG 70 Ca -0.31 0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.57 1snl h ARG 70 Cb 2.06 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 32.06 1snl h ARG 70 CO 0.17 0.14 -0.04 0.93 -3.11 0.00 0.00 179.97 178.06 1snl h GLU 71 N -0.49 -0.10 -0.85 0.20 5.08 -1.23 -1.16 114.58 116.03 1snl h GLU 71 Ca -0.02 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1snl h GLU 71 Cb 0.39 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 1snl h GLU 71 CO 0.03 0.35 0.50 1.25 -1.00 0.00 0.00 179.01 180.14 1snl h HIS 72 N -0.60 0.91 0.15 4.33 2.76 -1.60 0.82 115.15 121.93 1snl h HIS 72 Ca -0.01 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1snl h HIS 72 Cb 0.50 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1snl h HIS 72 CO 0.08 0.40 -0.07 0.28 -1.30 0.00 0.00 177.93 177.32 1snl h VAL 73 N 0.86 0.88 0.00 5.26 2.07 -1.37 0.21 116.25 124.16 1snl h VAL 73 Ca 0.40 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1snl h VAL 73 Cb 0.31 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1snl h VAL 73 CO -0.23 0.23 0.00 0.24 0.02 0.00 0.00 177.57 177.83 1snl h MET 74 N -0.85 0.00 0.02 1.57 2.07 -1.03 0.41 114.93 117.11 1snl h MET 74 Ca -0.02 0.00 -0.34 0.00 -2.07 0.00 0.00 59.70 57.27 1snl h MET 74 Cb 0.53 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 30.21 1snl h MET 74 CO 0.03 0.00 -2.08 1.17 1.07 0.00 0.00 176.91 177.10 1snl n LYS 75 N -3.03 0.67 0.00 1.72 4.81 0.28 -3.46 118.16 119.15 1snl n LYS 75 Ca -0.01 0.17 0.10 0.00 -0.87 0.00 0.00 58.31 57.70 1snl n LYS 75 Cb 0.19 -1.65 -0.09 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 -3.03 1.21 -0.02 3.14 5.03 0.74 -4.62 115.26 117.71 1snl n ASN 76 Ca -0.28 -1.10 -0.02 0.00 0.87 0.00 0.00 54.58 54.04 1snl n ASN 76 Cb 1.08 0.88 -0.02 0.00 -1.02 0.00 0.00 39.78 40.70 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 -1.15 0.21 -1.49 2.41 0.31 0.14 -4.97 118.33 113.80 1snl n VAL 77 Ca 0.05 -0.09 -0.53 0.00 -0.01 0.00 0.00 64.34 63.76 1snl n VAL 77 Cb 0.35 -0.69 -0.07 0.00 -0.91 0.00 0.00 33.84 32.52 1snl n VAL 77 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1snl n ASP 78 N -2.51 2.10 -0.07 4.52 8.00 -1.21 -4.82 116.55 122.56 1snl n ASP 78 Ca -0.06 0.59 -0.05 0.00 0.71 0.00 0.00 54.79 55.98 1snl n ASP 78 Cb 0.58 -1.21 -0.02 0.00 -0.02 0.00 0.00 41.12 40.45 1snl n ASP 78 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1snl h THR 79 N 6.66 0.09 -0.67 -3.53 1.35 -1.90 -3.39 112.91 111.51 1snl h THR 79 Ca -0.30 -1.09 -0.24 0.00 -0.55 0.00 0.00 66.41 64.23 1snl h THR 79 Cb 1.33 0.19 -0.14 0.00 -1.73 0.00 0.00 68.15 67.80 1snl h THR 79 CO 1.01 0.03 0.25 -3.20 -0.25 0.00 0.00 175.52 173.37 1snl n ASN 80 N -4.64 4.20 -3.81 5.36 4.05 -1.26 -4.94 115.26 114.21 1snl n ASN 80 Ca -0.07 -3.35 -0.24 0.00 0.45 0.00 0.00 54.58 51.37 1snl n ASN 80 Cb 0.23 -0.72 -0.07 0.00 1.23 0.00 0.00 39.78 40.45 1snl n ASN 80 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1snl n GLN 81 N -0.51 -0.93 -0.65 1.20 1.13 -1.26 -4.75 117.38 111.61 1snl n GLN 81 Ca 0.41 0.07 0.09 0.00 -1.94 0.00 0.00 57.00 55.63 1snl n GLN 81 Cb 1.33 -2.77 0.37 0.00 0.11 0.00 0.00 30.24 29.28 1snl n GLN 81 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1snl n ASP 82 N -1.95 4.89 0.00 1.08 5.75 -1.26 -4.86 116.55 120.19 1snl n ASP 82 Ca -0.18 -2.49 0.00 0.00 -0.01 0.00 0.00 54.79 52.10 1snl n ASP 82 Cb 0.48 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1snl n ASP 82 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1snl n ARG 83 N 1.11 0.00 -4.86 0.11 1.74 -1.26 -4.88 116.66 108.62 1snl n ARG 83 Ca 0.26 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.08 1snl n ARG 83 Cb 0.93 -4.03 -0.16 0.00 -1.02 0.00 0.00 32.46 28.18 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 1.93 -0.14 0.55 1.02 -1.26 -3.89 118.68 116.89 1snl s LEU 84 Ca 0.00 -0.36 -0.01 0.00 0.02 0.00 0.00 54.13 53.78 1snl s LEU 84 Cb 0.00 -1.00 -0.02 0.00 0.02 0.00 0.00 46.19 45.20 1snl s LEU 84 CO 0.00 0.16 -0.11 -0.69 0.02 0.00 0.00 176.35 175.73 1snl s VAL 85 N 0.03 3.26 0.33 -1.59 1.01 -1.08 -4.86 120.40 117.50 1snl s VAL 85 Ca -0.04 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1snl s VAL 85 Cb -0.12 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1snl s VAL 85 CO 0.02 0.51 0.48 0.42 0.00 0.00 0.00 175.10 176.54 1snl s THR 86 N 0.38 4.52 0.21 3.92 -4.23 -1.26 -2.45 115.64 116.73 1snl s THR 86 Ca -0.09 -0.84 -0.06 0.00 -1.18 0.00 0.00 61.69 59.52 1snl s THR 86 Cb -0.15 -3.60 0.08 0.00 1.34 0.00 0.00 72.50 70.16 1snl s THR 86 CO 0.05 -0.29 1.68 0.25 -0.54 0.00 0.00 174.62 175.77 1snl h LEU 87 N 0.86 0.92 0.03 4.79 7.12 -1.99 -1.77 115.31 125.28 1snl h LEU 87 Ca -0.48 -0.26 -0.00 0.00 0.13 0.00 0.00 57.88 57.27 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 0.57 0.99 -0.01 -0.33 -0.13 0.00 0.00 178.44 179.53 1snl h GLU 88 N 0.86 -0.04 -0.28 1.25 4.39 -1.94 -2.18 114.58 116.64 1snl h GLU 88 Ca 0.15 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.94 1snl h GLU 88 Cb 0.55 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1snl h GLU 88 CO 0.03 -0.02 0.20 0.93 -1.16 0.00 0.00 179.01 178.99 1snl h GLU 89 N -0.04 0.01 0.11 2.33 4.39 -1.98 -2.39 114.58 117.02 1snl h GLU 89 Ca -0.00 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1snl h GLU 89 Cb 0.03 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1snl h GLU 89 CO 0.01 0.01 -0.06 0.35 -1.16 0.00 0.00 179.01 178.16 1snl h PHE 90 N 0.01 -0.14 -0.68 4.33 3.57 -1.17 -2.68 116.94 120.18 1snl h PHE 90 Ca 0.13 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.75 1snl h PHE 90 Cb 0.53 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.23 1snl h PHE 90 CO -0.00 -0.02 0.27 -0.07 -2.23 0.00 0.00 178.31 176.26 1snl h LEU 91 N -0.23 0.26 -0.67 0.59 3.38 -0.86 -1.16 115.31 116.63 1snl h LEU 91 Ca -0.02 0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.18 1snl h LEU 91 Cb 0.18 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 40.88 1snl h LEU 91 CO 0.03 0.13 -0.14 0.00 0.09 0.00 0.00 178.44 178.55 1snl h ALA 92 N 1.48 0.48 0.00 1.53 0.00 -1.39 2.45 119.26 123.81 1snl h ALA 92 Ca 0.36 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.52 1snl h ALA 92 Cb 0.49 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1snl h ALA 92 CO -0.35 -0.42 -0.02 0.77 0.00 0.00 0.00 179.25 179.23 1snl h SER 93 N 0.01 0.00 0.00 0.00 0.02 -1.10 -2.26 113.55 110.22 1snl h SER 93 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1snl h SER 93 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1snl h SER 93 CO -0.67 0.02 -0.58 0.35 -1.14 0.00 0.00 176.83 174.80 1snl n THR 94 N -3.98 0.97 -0.03 -2.27 -2.24 0.28 -4.18 114.28 102.83 1snl n THR 94 Ca -0.03 0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.87 1snl n THR 94 Cb 0.10 -1.98 -0.10 0.00 -2.10 0.00 0.00 70.33 66.25 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 -0.58 -0.51 -1.05 -0.78 5.75 0.36 0.13 115.11 118.42 1snl h GLN 95 Ca 0.00 0.04 0.28 0.00 -0.15 0.00 0.00 58.65 58.81 1snl h GLN 95 Cb 0.58 0.12 -0.09 0.00 1.07 0.00 0.00 27.48 29.16 1snl h GLN 95 CO 0.00 -0.34 0.69 -0.09 -2.65 0.00 0.00 178.83 176.43 1snl h ARG 96 N -0.53 0.34 0.00 1.69 9.65 -1.49 0.65 114.38 124.68 1snl h ARG 96 Ca 0.04 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1snl h ARG 96 Cb 0.64 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 1snl h ARG 96 CO -0.45 0.22 0.28 -0.22 2.80 0.00 0.00 179.97 182.61 1snl h LYS 97 N 0.35 0.00 -5.23 0.20 3.64 -0.87 -3.31 116.57 111.35 1snl h LYS 97 Ca 0.59 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 59.47 1snl h LYS 97 Cb 1.60 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.39 1snl h LYS 97 CO -0.27 0.00 1.73 -1.91 -2.27 0.00 0.00 179.45 176.73 1snl n GLU 98 N -2.90 2.01 0.00 1.90 2.13 0.23 -5.11 120.64 118.89 1snl n GLU 98 Ca -0.02 -2.51 0.00 0.00 0.66 0.00 0.00 57.16 55.28 1snl n GLU 98 Cb 0.33 -3.47 0.00 0.00 0.27 0.00 0.00 31.44 28.57 1snl n GLU 98 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06