#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snl h LYS 2 N 0.00 0.00 -6.56 3.23 3.64 -2.11 -3.43 116.57 111.34 1snl h LYS 2 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 1snl h LYS 2 Cb 0.00 0.00 0.07 0.00 -0.41 0.00 0.00 32.23 31.89 1snl h LYS 2 CO 0.00 0.00 0.72 -1.91 -2.27 0.00 0.00 179.45 175.99 1snl n GLU 3 N -2.78 2.13 -1.71 1.90 2.13 -1.26 -4.85 120.64 116.19 1snl n GLU 3 Ca -0.01 0.76 -0.43 0.00 0.66 0.00 0.00 57.16 58.14 1snl n GLU 3 Cb 0.13 -2.48 -0.03 0.00 0.27 0.00 0.00 31.44 29.33 1snl n GLU 3 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1snl n VAL 4 N 2.66 0.17 -1.67 6.31 0.31 -1.26 -4.84 118.33 120.01 1snl n VAL 4 Ca 0.14 -0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 64.00 1snl n VAL 4 Cb 0.30 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.33 1snl n VAL 4 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 1snl s TRP 5 N 0.92 1.26 0.78 3.52 0.52 -1.26 -4.95 118.94 119.73 1snl s TRP 5 Ca 0.74 0.48 -0.13 0.00 0.02 0.00 0.00 56.10 57.21 1snl s TRP 5 Cb -0.54 -3.97 0.20 0.00 -1.15 0.00 0.00 33.47 28.00 1snl s TRP 5 CO 0.36 -4.05 0.44 0.39 0.02 0.00 0.00 176.95 174.12 1snl n GLU 6 N 8.61 -3.15 -2.71 4.98 1.02 -1.26 -5.03 120.64 123.11 1snl n GLU 6 Ca 0.28 -0.74 -0.06 0.00 -0.02 0.00 0.00 57.16 56.62 1snl n GLU 6 Cb 0.45 -1.02 0.05 0.00 -0.02 0.00 0.00 31.44 30.91 1snl n GLU 6 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1snl n GLU 7 N -3.64 0.41 -3.11 3.49 2.13 -1.26 -5.05 120.64 113.60 1snl n GLU 7 Ca 0.07 -1.25 -0.35 0.00 0.66 0.00 0.00 57.16 56.29 1snl n GLU 7 Cb 0.31 -0.78 -0.03 0.00 0.27 0.00 0.00 31.44 31.21 1snl n GLU 7 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1snl n LEU 8 N 1.90 5.31 0.12 4.31 7.94 -1.26 -4.77 117.00 130.55 1snl n LEU 8 Ca 0.08 -5.38 0.03 0.00 -1.11 0.00 0.00 56.01 49.63 1snl n LEU 8 Cb 0.65 -0.95 0.01 0.00 0.53 0.00 0.00 43.42 43.66 1snl n LEU 8 CO -0.06 1.95 0.31 -2.24 -1.11 0.00 0.00 177.39 176.24 1snl h ASP 9 N 4.53 0.00 0.00 1.96 3.04 -2.03 -3.45 116.42 120.48 1snl h ASP 9 Ca 0.23 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.02 1snl h ASP 9 Cb 0.58 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.87 1snl h ASP 9 CO 1.07 0.45 0.00 0.61 -2.04 0.00 0.00 179.24 179.34 1snl n GLY 10 N 1.25 0.15 3.68 7.15 0.00 -1.26 -5.10 105.19 111.05 1snl n GLY 10 Ca -0.00 -0.08 -0.55 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.89 2.35 -4.80 0.99 7.94 -1.26 -4.90 117.00 116.42 1snl n LEU 11 Ca 0.00 1.07 -0.34 0.00 -1.11 0.00 0.00 56.01 55.64 1snl n LEU 11 Cb 0.00 -1.19 -0.04 0.00 0.53 0.00 0.00 43.42 42.72 1snl n LEU 11 CO 0.00 -0.53 0.70 -1.81 -1.11 0.00 0.00 177.39 174.63 1snl s ASP 12 N 2.77 6.49 0.56 1.96 1.11 -1.26 -4.89 116.67 123.40 1snl s ASP 12 Ca 0.94 1.85 0.37 0.00 0.18 0.00 0.00 52.55 55.89 1snl s ASP 12 Cb -0.99 -2.55 1.97 0.00 1.07 0.00 0.00 42.92 42.42 1snl s ASP 12 CO 0.59 -0.68 2.14 1.55 1.18 0.00 0.00 175.17 179.94 1snl h PRO 13 N 1.59 0.00 -3.68 8.23 0.13 -2.02 -3.31 132.00 132.95 1snl h PRO 13 Ca -0.49 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.07 1snl h PRO 13 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 1snl h PRO 13 CO 0.60 0.00 2.94 -1.71 -0.23 0.00 0.00 178.00 179.60 1snl n ASN 14 N -2.85 5.10 -4.28 1.44 2.85 -1.26 -4.77 115.26 111.49 1snl n ASN 14 Ca -0.02 -2.56 -0.44 0.00 -0.11 0.00 0.00 54.58 51.45 1snl n ASN 14 Cb 0.09 -1.32 0.00 0.00 1.24 0.00 0.00 39.78 39.80 1snl n ASN 14 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1snl n ARG 15 N 5.05 3.69 -1.72 1.20 0.63 -1.25 -5.03 116.66 119.24 1snl n ARG 15 Ca 0.55 -4.33 -0.39 0.00 -0.92 0.00 0.00 57.85 52.76 1snl n ARG 15 Cb 0.27 -2.64 0.03 0.00 0.45 0.00 0.00 32.46 30.57 1snl n ARG 15 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1snl n PHE 16 N 2.97 2.09 -2.69 -0.14 3.72 -1.26 -4.95 117.46 117.20 1snl n PHE 16 Ca 0.27 0.45 -0.06 0.00 -0.05 0.00 0.00 57.45 58.07 1snl n PHE 16 Cb 0.38 -2.34 0.08 0.00 -0.94 0.00 0.00 39.48 36.66 1snl n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1snl n ASN 17 N -0.61 -1.76 0.30 4.37 4.05 -1.26 -4.99 115.26 115.36 1snl n ASN 17 Ca 0.10 -2.30 0.19 0.00 0.45 0.00 0.00 54.58 53.02 1snl n ASN 17 Cb 0.43 1.13 0.95 0.00 1.23 0.00 0.00 39.78 43.52 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 3.23 0.00 -0.93 1.20 0.13 -2.02 -2.88 132.00 130.73 1snl h PRO 18 Ca -0.22 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.02 1snl h PRO 18 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 1snl h PRO 18 CO -0.02 0.03 0.60 -0.22 -0.23 0.00 0.00 178.00 178.16 1snl h LYS 19 N 0.00 0.88 -0.26 0.86 3.64 -2.00 -2.29 116.57 117.40 1snl h LYS 19 Ca -0.00 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 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 0.00 0.59 -0.40 1.15 -2.27 0.00 0.00 179.45 178.52 1snl h THR 20 N 0.91 1.30 -0.65 1.00 2.02 -1.95 -2.90 112.91 112.65 1snl h THR 20 Ca 0.44 -1.60 0.09 0.00 0.77 0.00 0.00 66.41 66.12 1snl h THR 20 Cb 0.46 1.68 -0.07 0.00 -1.74 0.00 0.00 68.15 68.48 1snl h THR 20 CO -0.21 0.51 0.29 0.15 0.37 0.00 0.00 175.52 176.63 1snl h PHE 21 N 0.47 0.52 -0.54 3.16 3.04 -1.57 0.27 116.94 122.29 1snl h PHE 21 Ca 0.02 0.03 0.06 0.00 3.98 0.00 0.00 57.97 62.07 1snl h PHE 21 Cb 0.99 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 39.34 1snl h PHE 21 CO 0.08 0.17 0.36 0.35 -2.02 0.00 0.00 178.31 177.25 1snl h PHE 22 N 0.51 0.49 0.32 0.41 3.04 -1.36 -2.41 116.94 117.94 1snl h PHE 22 Ca 0.32 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.27 1snl h PHE 22 Cb 0.36 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.71 1snl h PHE 22 CO -0.13 0.26 -0.16 0.82 -2.02 0.00 0.00 178.31 177.08 1snl h ILE 23 N 0.48 0.00 0.00 1.41 2.04 -0.34 -2.30 117.51 118.81 1snl h ILE 23 Ca 0.24 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1snl h ILE 23 Cb 0.32 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1snl h ILE 23 CO -0.06 0.00 0.52 -0.11 0.00 0.00 0.00 178.15 178.49 1snl n LEU 24 N -4.61 0.14 -0.00 1.44 7.94 -0.24 0.15 117.00 121.81 1snl n LEU 24 Ca -0.05 0.36 0.08 0.00 -1.11 0.00 0.00 56.01 55.29 1snl n LEU 24 Cb 0.17 -0.22 -0.11 0.00 0.53 0.00 0.00 43.42 43.80 1snl n LEU 24 CO 0.13 -0.41 -0.22 1.41 -1.11 0.00 0.00 177.39 177.20 1snl n HIS 25 N -1.79 0.00 -1.53 1.96 8.25 -0.93 -4.69 115.22 116.49 1snl n HIS 25 Ca -0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1snl n HIS 25 Cb 0.53 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 31.52 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 -1.58 4.90 -0.10 0.41 5.75 0.39 -4.74 116.55 121.57 1snl n ASP 26 Ca 0.01 -2.74 -0.06 0.00 -0.01 0.00 0.00 54.79 52.00 1snl n ASP 26 Cb 0.31 -1.56 0.00 0.00 -1.03 0.00 0.00 41.12 38.85 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 3.80 0.43 -0.33 2.12 2.04 -1.83 0.95 117.51 124.68 1snl h ILE 27 Ca 0.62 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.48 1snl h ILE 27 Cb 0.54 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1snl h ILE 27 CO 1.86 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 176.81 1snl n ASN 28 N -5.37 2.21 -4.21 1.72 4.05 -1.26 -4.92 115.26 107.49 1snl n ASN 28 Ca 0.02 -2.11 -0.33 0.00 0.45 0.00 0.00 54.58 52.61 1snl n ASN 28 Cb 0.28 -0.32 -0.06 0.00 1.23 0.00 0.00 39.78 40.91 1snl n ASN 28 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1snl n SER 29 N 0.47 -0.19 -0.79 1.20 2.88 0.33 -4.79 113.62 112.73 1snl n SER 29 Ca 0.12 -1.23 0.12 0.00 -1.33 0.00 0.00 58.87 56.55 1snl n SER 29 Cb 0.39 -1.89 0.29 0.00 -0.75 0.00 0.00 64.21 62.25 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 -2.79 2.42 0.00 -3.46 2.03 -1.26 -4.90 116.55 108.59 1snl n ASP 30 Ca -0.29 -1.80 0.00 0.00 0.52 0.00 0.00 54.79 53.22 1snl n ASP 30 Cb 0.67 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 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 1.29 0.73 3.20 0.27 0.00 -1.26 -4.95 105.19 104.47 1snl n GLY 31 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.12 0.13 -0.34 1.61 -7.23 -1.26 -4.09 120.40 106.09 1snl s VAL 32 Ca 0.00 -1.55 -0.08 0.00 -1.81 0.00 0.00 61.98 58.55 1snl s VAL 32 Cb 0.00 -1.66 0.03 0.00 0.56 0.00 0.00 36.38 35.31 1snl s VAL 32 CO 0.00 -0.61 0.13 -0.76 -0.31 0.00 0.00 175.10 173.55 1snl s LEU 33 N -2.94 4.36 0.00 1.32 1.43 -0.87 -4.96 118.68 117.03 1snl s LEU 33 Ca 0.13 -1.04 -0.07 0.00 -1.03 0.00 0.00 54.13 52.12 1snl s LEU 33 Cb 0.06 -1.91 0.16 0.00 0.03 0.00 0.00 46.19 44.52 1snl s LEU 33 CO -0.05 -0.32 1.00 0.47 0.23 0.00 0.00 176.35 177.67 1snl n ASP 34 N 4.87 0.62 -0.03 2.29 8.00 -1.26 -3.04 116.55 128.00 1snl n ASP 34 Ca -0.13 -1.69 -0.16 0.00 0.71 0.00 0.00 54.79 53.52 1snl n ASP 34 Cb 0.45 -0.71 -0.08 0.00 -0.02 0.00 0.00 41.12 40.76 1snl n ASP 34 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1snl h GLU 35 N 0.00 0.56 0.00 -1.24 5.08 -1.99 -0.83 114.58 116.16 1snl h GLU 35 Ca -0.33 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 57.57 1snl h GLU 35 Cb 1.03 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1snl h GLU 35 CO 0.28 1.08 -0.04 -0.56 -1.00 0.00 0.00 179.01 178.77 1snl h GLN 36 N 0.18 0.00 0.04 2.33 -0.00 -1.96 0.99 115.11 116.70 1snl h GLN 36 Ca -0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.33 1snl h GLN 36 Cb 1.17 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.62 1snl h GLN 36 CO 0.11 0.04 -1.54 0.93 -0.00 0.00 0.00 178.83 178.37 1snl h GLU 37 N 0.00 0.09 -0.11 0.06 5.08 -1.91 -3.03 114.58 114.76 1snl h GLU 37 Ca -0.00 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.04 1snl h GLU 37 Cb 0.13 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1snl h GLU 37 CO 0.01 0.83 -0.64 1.25 -1.00 0.00 0.00 179.01 179.45 1snl h LEU 38 N 0.02 0.48 0.03 1.33 5.85 0.01 -2.36 115.31 120.68 1snl h LEU 38 Ca -0.23 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 1snl h LEU 38 Cb 1.97 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.86 1snl h LEU 38 CO 0.11 1.00 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.87 1snl h GLU 39 N 0.30 -0.04 -0.22 1.25 5.08 -0.97 -2.63 114.58 117.35 1snl h GLU 39 Ca -0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1snl h GLU 39 Cb 1.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1snl h GLU 39 CO 0.11 0.62 -0.08 0.00 -1.00 0.00 0.00 179.01 178.66 1snl h ALA 40 N 0.10 1.45 -0.01 3.43 0.00 -1.62 -0.19 119.26 122.42 1snl h ALA 40 Ca -0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1snl h ALA 40 Cb 0.68 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1snl h ALA 40 CO 0.01 0.39 -0.72 1.25 0.00 0.00 0.00 179.25 180.17 1snl h LEU 41 N 0.33 0.10 0.00 0.00 5.85 -1.49 -1.53 115.31 118.56 1snl h LEU 41 Ca 0.07 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1snl h LEU 41 Cb 0.36 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1snl h LEU 41 CO 0.02 0.78 -0.49 -0.26 -0.34 0.00 0.00 178.44 178.15 1snl h PHE 42 N 0.05 0.00 -0.52 1.25 0.04 -1.06 -2.75 116.94 113.95 1snl h PHE 42 Ca -0.01 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 1snl h PHE 42 Cb 1.27 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.40 1snl h PHE 42 CO 0.01 1.12 0.10 1.15 -0.60 0.00 0.00 178.31 180.08 1snl h THR 43 N -1.00 1.25 -0.10 -1.55 2.02 -1.16 -3.06 112.91 109.32 1snl h THR 43 Ca -0.13 -0.92 -0.10 0.00 0.77 0.00 0.00 66.41 66.04 1snl h THR 43 Cb 1.06 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1snl h THR 43 CO -0.08 0.33 -0.32 0.50 0.37 0.00 0.00 175.52 176.32 1snl h LYS 44 N 0.73 0.38 -0.97 6.66 3.64 -1.44 -3.26 116.57 122.32 1snl h LYS 44 Ca 0.16 -0.28 0.13 0.00 -1.27 0.00 0.00 60.65 59.39 1snl h LYS 44 Cb 0.38 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.16 1snl h LYS 44 CO 0.01 0.91 0.59 1.49 -2.27 0.00 0.00 179.45 180.18 1snl h GLU 45 N -0.07 0.87 -0.34 1.90 4.22 -1.51 0.12 114.58 119.78 1snl h GLU 45 Ca -0.01 -0.05 0.10 0.00 0.08 0.00 0.00 59.36 59.47 1snl h GLU 45 Cb 0.94 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1snl h GLU 45 CO 0.07 0.57 0.39 -0.07 -2.18 0.00 0.00 179.01 177.79 1snl h LEU 46 N 0.89 0.00 -2.47 1.64 3.38 -1.57 0.16 115.31 117.34 1snl h LEU 46 Ca 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.47 1snl h LEU 46 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1snl h LEU 46 CO -0.30 0.00 -0.01 -0.33 0.09 0.00 0.00 178.44 177.90 1snl h GLU 47 N 0.00 0.00 -1.15 1.13 4.39 -0.89 -2.20 114.58 115.86 1snl h GLU 47 Ca 0.16 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.18 1snl h GLU 47 Cb 0.94 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 29.31 1snl h GLU 47 CO -0.00 0.01 0.89 1.63 -1.16 0.00 0.00 179.01 180.38 1snl n LYS 48 N -3.80 2.68 0.19 2.33 5.02 0.54 -4.53 118.16 120.58 1snl n LYS 48 Ca -0.03 -3.28 0.00 0.00 -2.02 0.00 0.00 58.31 52.98 1snl n LYS 48 Cb 0.09 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 32.83 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 -0.84 0.00 0.00 -0.18 0.31 -0.84 -5.12 118.33 111.67 1snl n VAL 49 Ca 0.61 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.94 1snl n VAL 49 Cb 0.60 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 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 -3.43 0.00 -3.57 3.52 4.01 -1.16 -5.09 117.16 111.44 1snl n TYR 50 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.53 1snl n TYR 50 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 38.88 1snl n TYR 50 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1snl s ASP 51 N -1.00 1.68 0.00 7.72 -4.77 -1.26 -5.00 116.67 114.04 1snl s ASP 51 Ca 0.00 -0.30 -0.01 0.00 -3.30 0.00 0.00 52.55 48.94 1snl s ASP 51 Cb 0.00 0.10 -0.04 0.00 -1.09 0.00 0.00 42.92 41.89 1snl s ASP 51 CO 0.00 -0.32 1.30 -0.81 0.70 0.00 0.00 175.17 176.04 1snl n PRO 52 N 5.30 0.64 -0.99 2.11 -0.04 -1.26 -4.32 135.00 136.45 1snl n PRO 52 Ca -0.06 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1snl n PRO 52 Cb 0.49 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1snl n PRO 52 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1snl n LYS 53 N 2.04 -0.68 0.08 0.54 5.02 -1.26 -4.84 118.16 119.05 1snl n LYS 53 Ca 0.06 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.64 1snl n LYS 53 Cb 0.31 -3.69 0.21 0.00 -0.02 0.00 0.00 35.03 31.84 1snl n LYS 53 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1snl h ASN 54 N 0.00 0.00 -3.31 4.39 -0.00 -1.99 -3.46 115.58 111.21 1snl h ASN 54 Ca 0.00 -0.16 -0.03 0.00 -0.00 0.00 0.00 56.30 56.12 1snl h ASN 54 Cb 0.34 0.00 -0.22 0.00 -0.00 0.00 0.00 38.32 38.44 1snl h ASN 54 CO 0.00 0.08 -0.03 -1.83 -0.00 0.00 0.00 177.43 175.65 1snl s GLU 55 N -3.16 0.66 0.89 6.67 -1.05 -1.26 -5.13 118.70 116.33 1snl s GLU 55 Ca 0.07 1.06 0.00 0.00 -0.15 0.00 0.00 54.97 55.95 1snl s GLU 55 Cb 0.13 0.17 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1snl s GLU 55 CO 0.70 -0.13 0.00 0.39 0.95 0.00 0.00 175.26 177.16 1snl n GLU 56 N 3.86 -0.09 -3.53 -4.83 -0.58 -1.26 -4.76 120.64 109.46 1snl n GLU 56 Ca -0.19 0.06 -0.16 0.00 -0.42 0.00 0.00 57.16 56.45 1snl n GLU 56 Cb 0.57 -0.11 -0.13 0.00 -0.57 0.00 0.00 31.44 31.21 1snl n GLU 56 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1snl s ASP 57 N -4.00 1.03 0.00 1.62 -1.08 -1.26 -4.63 116.67 108.35 1snl s ASP 57 Ca 0.00 0.02 0.00 0.00 -0.52 0.00 0.00 52.55 52.05 1snl s ASP 57 Cb 0.00 0.50 0.00 0.00 -1.46 0.00 0.00 42.92 41.96 1snl s ASP 57 CO 0.00 -0.30 0.00 0.47 0.52 0.00 0.00 175.17 175.86 1snl n ASP 58 N 5.33 0.00 0.03 -0.34 8.00 -1.26 -4.89 116.55 123.42 1snl n ASP 58 Ca -0.05 -0.97 0.13 0.00 0.71 0.00 0.00 54.79 54.60 1snl n ASP 58 Cb 0.50 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.99 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 0.00 0.10 -0.09 -1.24 1.56 -1.26 -4.19 117.12 111.99 1snl n MET 59 Ca 0.00 0.05 -0.10 0.00 -0.27 0.00 0.00 57.70 57.38 1snl n MET 59 Cb 0.35 -1.58 -0.04 0.00 2.15 0.00 0.00 33.22 34.10 1snl n MET 59 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 1snl n ARG 60 N -1.73 0.52 -0.03 2.12 0.63 -1.26 -4.06 116.66 112.83 1snl n ARG 60 Ca 0.06 0.30 0.16 0.00 -0.92 0.00 0.00 57.85 57.45 1snl n ARG 60 Cb 0.37 -1.51 0.25 0.00 0.45 0.00 0.00 32.46 32.02 1snl n ARG 60 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1snl n GLU 61 N -4.48 0.02 -0.09 -0.14 4.71 -1.26 0.29 120.64 119.70 1snl n GLU 61 Ca -0.17 0.85 0.07 0.00 -0.01 0.00 0.00 57.16 57.89 1snl n GLU 61 Cb 0.50 -2.16 0.11 0.00 -1.01 0.00 0.00 31.44 28.88 1snl n GLU 61 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1snl n MET 62 N -2.70 1.66 0.01 3.49 0.00 -1.26 -4.63 117.12 113.70 1snl n MET 62 Ca 0.13 -1.64 0.16 0.00 0.00 0.00 0.00 57.70 56.35 1snl n MET 62 Cb 1.16 -1.28 0.24 0.00 0.00 0.00 0.00 33.22 33.34 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 0.72 0.02 0.25 3.17 0.28 0.84 0.29 120.64 126.22 1snl n GLU 63 Ca 0.10 0.95 0.13 0.00 -0.16 0.00 0.00 57.16 58.18 1snl n GLU 63 Cb 0.38 -2.45 0.66 0.00 1.43 0.00 0.00 31.44 31.46 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 0.00 3.44 4.39 -1.82 -2.46 114.58 118.13 1snl h GLU 64 Ca 0.27 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.90 1snl h GLU 64 Cb 2.45 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 31.08 1snl h GLU 64 CO -0.00 0.14 -0.36 1.49 -1.16 0.00 0.00 179.01 179.12 1snl h GLU 65 N 0.00 0.00 -0.20 2.33 4.57 0.40 -2.48 114.58 119.20 1snl h GLU 65 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1snl h GLU 65 Cb 0.46 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1snl h GLU 65 CO 0.02 0.36 0.12 0.00 -1.18 0.00 0.00 179.01 178.33 1snl h ARG 66 N 0.00 0.26 0.00 1.92 3.08 -1.57 -2.00 114.38 116.08 1snl h ARG 66 Ca -0.00 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 1snl h ARG 66 Cb 0.73 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 1snl h ARG 66 CO 0.05 0.20 -0.55 1.37 -1.07 0.00 0.00 179.97 179.96 1snl h LEU 67 N 0.25 0.00 -0.81 3.04 8.10 -1.67 -1.27 115.31 122.95 1snl h LEU 67 Ca 0.07 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.98 1snl h LEU 67 Cb -0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.19 1snl h LEU 67 CO -0.01 0.55 -0.02 -0.09 -4.11 0.00 0.00 178.44 174.76 1snl h ARG 68 N 0.00 0.88 0.00 0.17 9.65 -0.99 -1.27 114.38 122.82 1snl h ARG 68 Ca -0.01 -0.26 -0.09 0.00 -1.10 0.00 0.00 59.98 58.52 1snl h ARG 68 Cb 1.15 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.63 1snl h ARG 68 CO 0.07 0.89 -0.51 0.52 2.80 0.00 0.00 179.97 183.74 1snl h MET 69 N 0.81 0.00 -0.85 0.20 2.86 -1.33 -2.20 114.93 114.42 1snl h MET 69 Ca 0.15 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 58.00 1snl h MET 69 Cb 0.51 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 1snl h MET 69 CO 0.03 0.93 0.58 -0.09 1.06 0.00 0.00 176.91 179.42 1snl h ARG 70 N -1.00 0.22 0.00 1.72 2.43 -1.27 -0.17 114.38 116.31 1snl h ARG 70 Ca -0.14 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.92 1snl h ARG 70 Cb 1.07 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1snl h ARG 70 CO -0.08 0.15 -0.65 0.93 -1.51 0.00 0.00 179.97 178.81 1snl h GLU 71 N 0.23 0.00 -0.74 0.20 5.08 -1.33 -2.99 114.58 115.03 1snl h GLU 71 Ca 0.42 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.92 1snl h GLU 71 Cb 1.30 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.50 1snl h GLU 71 CO -0.10 0.65 0.49 1.25 -1.00 0.00 0.00 179.01 180.30 1snl h HIS 72 N -1.00 0.53 0.11 4.33 2.76 -1.16 0.35 115.15 121.07 1snl h HIS 72 Ca -0.15 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.03 1snl h HIS 72 Cb 0.89 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.68 1snl h HIS 72 CO 0.06 0.22 -0.05 0.28 -1.30 0.00 0.00 177.93 177.13 1snl h VAL 73 N 0.47 0.97 0.00 5.26 2.07 -1.18 -2.65 116.25 121.18 1snl h VAL 73 Ca 0.36 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1snl h VAL 73 Cb 0.74 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1snl h VAL 73 CO -0.12 0.27 0.00 0.24 0.02 0.00 0.00 177.57 177.98 1snl h MET 74 N -0.87 0.00 0.15 1.57 2.07 -1.30 0.37 114.93 116.92 1snl h MET 74 Ca -0.01 0.00 -0.33 0.00 -2.07 0.00 0.00 59.70 57.28 1snl h MET 74 Cb 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.29 1snl h MET 74 CO 0.02 0.00 -1.67 -0.22 1.07 0.00 0.00 176.91 176.11 1snl h LYS 75 N 0.00 0.32 0.00 1.72 3.64 -0.29 -3.30 116.57 118.67 1snl h LYS 75 Ca 0.00 -0.55 -0.12 0.00 -1.27 0.00 0.00 60.65 58.71 1snl h LYS 75 Cb 0.21 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1snl h LYS 75 CO 0.00 1.21 -1.87 0.27 -2.27 0.00 0.00 179.45 176.80 1snl n ASN 76 N -3.52 1.29 -0.01 4.20 2.04 -1.00 -4.63 115.26 113.62 1snl n ASN 76 Ca -0.21 0.00 -0.17 0.00 -0.44 0.00 0.00 54.58 53.76 1snl n ASN 76 Cb 1.06 1.37 -0.14 0.00 -2.53 0.00 0.00 39.78 39.54 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 -2.27 1.70 -1.91 3.53 0.31 0.13 -4.72 118.33 115.09 1snl n VAL 77 Ca -0.12 -0.70 -0.40 0.00 -0.01 0.00 0.00 64.34 63.11 1snl n VAL 77 Cb 0.67 -1.47 -0.03 0.00 -0.91 0.00 0.00 33.84 32.10 1snl n VAL 77 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1snl s ASP 78 N -6.68 5.42 -0.15 4.52 1.01 -1.23 -4.75 116.67 114.82 1snl s ASP 78 Ca -0.18 1.00 -0.18 0.00 0.71 0.00 0.00 52.55 53.90 1snl s ASP 78 Cb 0.07 -2.52 -0.16 0.00 1.01 0.00 0.00 42.92 41.32 1snl s ASP 78 CO 0.78 -2.14 0.35 0.71 0.21 0.00 0.00 175.17 175.08 1snl h THR 79 N 7.00 0.97 -0.69 -1.27 1.35 -1.90 -3.36 112.91 115.01 1snl h THR 79 Ca -0.30 -1.84 -0.19 0.00 -0.55 0.00 0.00 66.41 63.53 1snl h THR 79 Cb 1.19 1.94 -0.11 0.00 -1.73 0.00 0.00 68.15 69.43 1snl h THR 79 CO 1.11 0.33 0.24 0.59 -0.25 0.00 0.00 175.52 177.53 1snl n ASN 80 N -4.61 4.77 -2.45 5.36 5.03 -1.26 -4.91 115.26 117.19 1snl n ASN 80 Ca -0.12 -3.12 -0.12 0.00 0.87 0.00 0.00 54.58 52.08 1snl n ASN 80 Cb 0.39 -0.73 -0.02 0.00 -1.02 0.00 0.00 39.78 38.40 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 -0.05 -1.48 -0.13 3.52 1.13 -1.26 -4.64 117.38 114.48 1snl n GLN 81 Ca 0.38 0.04 0.03 0.00 -1.94 0.00 0.00 57.00 55.50 1snl n GLN 81 Cb 1.32 -2.62 0.09 0.00 0.11 0.00 0.00 30.24 29.13 1snl n GLN 81 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1snl n ASP 82 N -0.95 1.30 0.00 1.08 8.00 -1.26 -4.80 116.55 119.92 1snl n ASP 82 Ca 0.03 -2.06 0.00 0.00 0.71 0.00 0.00 54.79 53.47 1snl n ASP 82 Cb 0.27 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1snl n ASP 82 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1snl n ARG 83 N 0.07 0.00 -5.20 -1.24 1.74 -1.26 -4.90 116.66 105.87 1snl n ARG 83 Ca 0.06 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.83 1snl n ARG 83 Cb 0.24 -3.74 -0.16 0.00 -1.02 0.00 0.00 32.46 27.78 1snl n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1snl s LEU 84 N 0.00 2.15 -0.14 0.55 1.02 -1.26 -4.12 118.68 116.88 1snl s LEU 84 Ca 0.00 -0.50 -0.01 0.00 0.02 0.00 0.00 54.13 53.64 1snl s LEU 84 Cb 0.00 -1.41 -0.02 0.00 0.02 0.00 0.00 46.19 44.79 1snl s LEU 84 CO 0.00 0.22 -0.11 -0.69 0.02 0.00 0.00 176.35 175.80 1snl s VAL 85 N -0.04 3.26 0.50 -1.59 1.01 -1.17 -4.87 120.40 117.51 1snl s VAL 85 Ca -0.07 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1snl s VAL 85 Cb -0.15 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.89 1snl s VAL 85 CO 0.05 0.51 0.63 0.42 0.00 0.00 0.00 175.10 176.71 1snl s THR 86 N 0.40 2.42 0.18 3.92 -4.23 -1.26 -2.04 115.64 115.02 1snl s THR 86 Ca -0.09 -1.10 0.03 0.00 -1.18 0.00 0.00 61.69 59.35 1snl s THR 86 Cb -0.15 -2.52 -0.12 0.00 1.34 0.00 0.00 72.50 71.04 1snl s THR 86 CO 0.05 0.00 1.42 0.25 -0.54 0.00 0.00 174.62 175.80 1snl h LEU 87 N 0.50 0.26 0.28 4.79 5.85 -2.00 -2.92 115.31 122.08 1snl h LEU 87 Ca -0.35 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 1snl h LEU 87 Cb 1.28 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1snl h LEU 87 CO 0.46 0.96 -0.14 -0.33 -0.34 0.00 0.00 178.44 179.06 1snl h GLU 88 N 0.13 -0.37 -0.41 1.25 5.08 -1.95 -0.60 114.58 117.70 1snl h GLU 88 Ca -0.03 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1snl h GLU 88 Cb 1.41 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 1snl h GLU 88 CO 0.12 -0.24 0.28 0.93 -1.00 0.00 0.00 179.01 179.09 1snl h GLU 89 N -0.45 0.47 0.06 2.33 4.39 -1.99 -2.56 114.58 116.82 1snl h GLU 89 Ca -0.04 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1snl h GLU 89 Cb 0.29 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1snl h GLU 89 CO 0.06 0.31 -0.03 0.35 -1.16 0.00 0.00 179.01 178.54 1snl h PHE 90 N 0.48 -0.07 -0.79 4.33 3.57 -1.51 -2.93 116.94 120.02 1snl h PHE 90 Ca 0.16 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.85 1snl h PHE 90 Cb 0.06 0.02 -0.13 0.00 2.79 0.00 0.00 35.95 38.70 1snl h PHE 90 CO -0.00 0.24 0.10 -0.07 -2.23 0.00 0.00 178.31 176.36 1snl h LEU 91 N -0.39 -0.18 0.20 0.59 4.07 -0.70 -1.11 115.31 117.79 1snl h LEU 91 Ca -0.01 0.19 0.01 0.00 0.08 0.00 0.00 57.88 58.15 1snl h LEU 91 Cb 0.35 0.29 -0.04 0.00 1.08 0.00 0.00 40.66 42.34 1snl h LEU 91 CO 0.01 -0.14 -0.45 0.00 -1.08 0.00 0.00 178.44 176.78 1snl h ALA 92 N 1.71 -0.86 -1.17 1.53 0.00 -1.33 2.22 119.26 121.36 1snl h ALA 92 Ca 0.45 -0.10 0.34 0.00 0.00 0.00 0.00 54.91 55.60 1snl h ALA 92 Cb 0.83 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 1snl h ALA 92 CO -0.63 -1.04 1.04 0.77 0.00 0.00 0.00 179.25 179.39 1snl h SER 93 N -0.74 0.00 0.00 0.00 0.02 -1.08 -2.17 113.55 109.58 1snl h SER 93 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1snl h SER 93 Cb 0.73 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1snl h SER 93 CO -0.21 0.00 -1.32 0.35 -1.14 0.00 0.00 176.83 174.51 1snl n THR 94 N -3.70 1.51 -1.69 -2.27 -2.24 0.13 -4.92 114.28 101.09 1snl n THR 94 Ca 0.26 0.03 -0.58 0.00 -2.27 0.00 0.00 64.05 61.49 1snl n THR 94 Cb 1.41 -2.25 -0.07 0.00 -2.10 0.00 0.00 70.33 67.31 1snl n THR 94 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1snl n GLN 95 N -4.42 0.93 -2.69 -0.78 7.27 0.73 -4.83 117.38 113.60 1snl n GLN 95 Ca -0.22 0.34 -0.05 0.00 0.07 0.00 0.00 57.00 57.13 1snl n GLN 95 Cb 0.59 -1.98 0.09 0.00 2.41 0.00 0.00 30.24 31.35 1snl n GLN 95 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1snl n ARG 96 N 4.62 0.40 -1.34 3.69 3.00 -1.26 -4.75 116.66 121.02 1snl n ARG 96 Ca 0.26 -1.10 -0.56 0.00 -0.00 0.00 0.00 57.85 56.45 1snl n ARG 96 Cb 0.11 -0.57 -0.10 0.00 0.00 0.00 0.00 32.46 31.90 1snl n ARG 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1snl n LYS 97 N 1.01 0.50 -2.12 -0.14 4.81 -1.26 -4.77 118.16 116.20 1snl n LYS 97 Ca 0.01 0.14 -0.42 0.00 -0.87 0.00 0.00 58.31 57.17 1snl n LYS 97 Cb 0.71 -1.95 -0.01 0.00 0.02 0.00 0.00 35.03 33.80 1snl n LYS 97 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1snl n GLU 98 N 7.82 2.89 0.00 1.64 -0.58 -1.26 -5.32 120.64 125.83 1snl n GLU 98 Ca 0.49 -2.88 0.00 0.00 -0.42 0.00 0.00 57.16 54.35 1snl n GLU 98 Cb 0.09 -3.39 0.00 0.00 -0.57 0.00 0.00 31.44 27.56 1snl n GLU 98 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99