#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 -1.56 -1.19 3.23 5.02 -1.26 -4.75 118.16 117.66 1snl n LYS 2 Ca 0.00 0.87 -0.43 0.00 -2.02 0.00 0.00 58.31 56.73 1snl n LYS 2 Cb 0.00 -4.81 -0.05 0.00 -0.02 0.00 0.00 35.03 30.14 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 -3.14 1.56 -2.16 1.97 0.28 -1.26 -4.87 120.64 113.03 1snl n GLU 3 Ca -0.09 -1.89 -0.40 0.00 -0.16 0.00 0.00 57.16 54.63 1snl n GLU 3 Cb 0.59 -2.94 -0.03 0.00 1.43 0.00 0.00 31.44 30.48 1snl n GLU 3 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1snl s VAL 4 N 5.01 3.49 -0.85 3.84 1.01 -1.26 -4.58 120.40 127.05 1snl s VAL 4 Ca 0.57 0.35 -0.19 0.00 0.00 0.00 0.00 61.98 62.71 1snl s VAL 4 Cb 0.14 -4.11 0.13 0.00 0.00 0.00 0.00 36.38 32.55 1snl s VAL 4 CO 0.11 -1.00 1.03 0.26 0.00 0.00 0.00 175.10 175.49 1snl s TRP 5 N 7.90 3.12 -0.29 5.22 0.51 -1.26 -4.65 118.94 129.49 1snl s TRP 5 Ca 0.62 -1.31 -0.06 0.00 -2.12 0.00 0.00 56.10 53.24 1snl s TRP 5 Cb -0.13 -4.21 0.01 0.00 -0.81 0.00 0.00 33.47 28.33 1snl s TRP 5 CO 0.22 -1.44 0.16 -1.91 -0.51 0.00 0.00 176.95 173.48 1snl n GLU 6 N 6.40 -2.69 -1.03 4.98 4.07 -1.26 -4.75 120.64 126.36 1snl n GLU 6 Ca 0.16 2.27 0.13 0.00 -0.06 0.00 0.00 57.16 59.66 1snl n GLU 6 Cb 0.48 -4.57 -0.04 0.00 -0.06 0.00 0.00 31.44 27.25 1snl n GLU 6 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1snl n GLU 7 N 0.55 -1.97 -1.49 5.31 1.02 -1.26 -4.96 120.64 117.83 1snl n GLU 7 Ca 0.02 1.38 0.13 0.00 -0.02 0.00 0.00 57.16 58.67 1snl n GLU 7 Cb 0.21 -2.46 -0.07 0.00 -0.02 0.00 0.00 31.44 29.10 1snl n GLU 7 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1snl n LEU 8 N -3.20 -1.21 0.18 -4.62 4.77 -1.26 -4.48 117.00 107.18 1snl n LEU 8 Ca -0.01 2.57 0.05 0.00 -0.03 0.00 0.00 56.01 58.59 1snl n LEU 8 Cb 0.61 -3.10 0.27 0.00 -2.33 0.00 0.00 43.42 38.87 1snl n LEU 8 CO 0.01 -1.84 0.63 -2.24 -1.33 0.00 0.00 177.39 172.62 1snl h ASP 9 N -1.06 0.00 0.00 -1.43 3.04 -1.93 -3.38 116.42 111.67 1snl h ASP 9 Ca -0.16 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.63 1snl h ASP 9 Cb 1.30 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.59 1snl h ASP 9 CO 0.06 0.41 0.00 0.61 -2.04 0.00 0.00 179.24 178.28 1snl n GLY 10 N 0.44 -2.22 2.78 7.15 0.00 -1.26 -4.25 105.19 107.83 1snl n GLY 10 Ca 0.00 0.72 -0.28 0.00 0.00 0.00 0.00 46.02 46.46 1snl n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1snl s LEU 11 N 0.00 1.58 0.19 0.99 1.43 -1.26 -4.78 118.68 116.82 1snl s LEU 11 Ca 0.00 -0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 52.00 1snl s LEU 11 Cb 0.00 -0.75 -0.07 0.00 0.03 0.00 0.00 46.19 45.40 1snl s LEU 11 CO 0.00 -0.30 0.55 1.51 0.23 0.00 0.00 176.35 178.34 1snl s ASP 12 N 1.74 6.72 0.51 2.29 -4.77 -1.26 -4.97 116.67 116.93 1snl s ASP 12 Ca -0.01 1.00 0.18 0.00 -3.30 0.00 0.00 52.55 50.41 1snl s ASP 12 Cb -0.17 -2.26 1.27 0.00 -1.09 0.00 0.00 42.92 40.67 1snl s ASP 12 CO -0.09 0.02 2.11 1.55 0.70 0.00 0.00 175.17 179.45 1snl h PRO 13 N 3.06 0.00 -1.57 2.11 0.13 -2.08 -2.81 132.00 130.83 1snl h PRO 13 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1snl h PRO 13 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1snl h PRO 13 CO 0.67 0.06 0.00 0.09 -0.23 0.00 0.00 178.00 178.60 1snl n ASN 14 N -4.34 2.08 -3.84 1.44 5.03 -1.26 -4.85 115.26 109.52 1snl n ASN 14 Ca -0.03 -1.32 -0.29 0.00 0.87 0.00 0.00 54.58 53.80 1snl n ASN 14 Cb 0.14 -0.38 0.28 0.00 -1.02 0.00 0.00 39.78 38.81 1snl n ASN 14 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 1snl n ARG 15 N 0.97 -3.84 -3.63 3.52 1.85 -1.06 -5.05 116.66 109.42 1snl n ARG 15 Ca 0.00 -1.12 -0.08 0.00 -1.00 0.00 0.00 57.85 55.65 1snl n ARG 15 Cb 0.29 -2.04 -0.07 0.00 -1.05 0.00 0.00 32.46 29.60 1snl n ARG 15 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 1snl s PHE 16 N -2.24 -0.36 -0.39 2.89 -0.12 -1.26 -5.10 117.98 111.39 1snl s PHE 16 Ca 0.68 0.84 0.03 0.00 -0.05 0.00 0.00 56.93 58.43 1snl s PHE 16 Cb -0.19 0.40 0.29 0.00 -0.63 0.00 0.00 43.02 42.90 1snl s PHE 16 CO 0.61 -0.21 1.19 -1.71 -0.05 0.00 0.00 175.22 175.06 1snl n ASN 17 N 1.76 -1.82 0.28 1.98 4.05 -1.26 -4.99 115.26 115.27 1snl n ASN 17 Ca -0.11 -2.49 0.16 0.00 0.45 0.00 0.00 54.58 52.59 1snl n ASN 17 Cb 0.56 1.31 0.82 0.00 1.23 0.00 0.00 39.78 43.71 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 3.02 0.00 -0.76 1.20 0.13 -2.01 -2.84 132.00 130.74 1snl h PRO 18 Ca -0.21 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.01 1snl h PRO 18 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1snl h PRO 18 CO 0.03 0.07 0.50 -0.22 -0.23 0.00 0.00 178.00 178.15 1snl h LYS 19 N 0.00 0.66 -0.15 0.86 3.64 -2.01 -2.34 116.57 117.23 1snl h LYS 19 Ca -0.00 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.16 1snl h LYS 19 Cb 0.32 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1snl h LYS 19 CO 0.01 0.43 -0.63 1.15 -2.27 0.00 0.00 179.45 178.14 1snl h THR 20 N 0.67 1.31 -0.69 1.00 2.02 -1.94 -2.91 112.91 112.39 1snl h THR 20 Ca 0.35 -1.87 0.09 0.00 0.77 0.00 0.00 66.41 65.75 1snl h THR 20 Cb 0.46 2.04 -0.04 0.00 -1.74 0.00 0.00 68.15 68.86 1snl h THR 20 CO -0.13 0.58 0.45 0.15 0.37 0.00 0.00 175.52 176.95 1snl h PHE 21 N 0.37 0.60 -0.21 3.16 3.04 -1.57 0.51 116.94 122.84 1snl h PHE 21 Ca -0.04 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.80 1snl h PHE 21 Cb 1.26 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.57 1snl h PHE 21 CO 0.10 0.29 -0.40 0.35 -2.02 0.00 0.00 178.31 176.63 1snl h PHE 22 N 0.56 0.57 0.50 0.41 3.04 -1.38 -2.89 116.94 117.74 1snl h PHE 22 Ca 0.31 -0.16 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 1snl h PHE 22 Cb 0.48 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1snl h PHE 22 CO -0.00 0.81 -0.24 0.82 -2.02 0.00 0.00 178.31 177.68 1snl h ILE 23 N 0.40 0.04 -1.20 1.41 2.04 -0.75 -2.41 117.51 117.04 1snl h ILE 23 Ca 0.04 -0.52 0.37 0.00 1.00 0.00 0.00 64.86 65.75 1snl h ILE 23 Cb 0.87 0.07 -0.12 0.00 -0.74 0.00 0.00 36.82 36.90 1snl h ILE 23 CO 0.07 0.01 0.77 0.25 0.00 0.00 0.00 178.15 179.25 1snl h LEU 24 N -1.17 0.32 0.00 1.44 5.85 -1.32 1.95 115.31 122.38 1snl h LEU 24 Ca -0.07 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1snl h LEU 24 Cb 0.53 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1snl h LEU 24 CO 0.11 -0.10 -0.04 1.41 -0.34 0.00 0.00 178.44 179.48 1snl n HIS 25 N -4.70 0.80 -2.47 1.25 8.25 -1.09 -4.56 115.22 112.69 1snl n HIS 25 Ca 0.33 0.23 -0.39 0.00 -0.26 0.00 0.00 57.72 57.63 1snl n HIS 25 Cb 1.22 -0.87 -0.03 0.00 1.12 0.00 0.00 29.99 31.43 1snl n HIS 25 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1snl s ASP 26 N -4.33 6.19 -0.10 0.41 1.01 0.66 -4.82 116.67 115.70 1snl s ASP 26 Ca 0.11 -0.99 -0.24 0.00 0.71 0.00 0.00 52.55 52.13 1snl s ASP 26 Cb 0.13 -2.56 -0.21 0.00 1.01 0.00 0.00 42.92 41.29 1snl s ASP 26 CO 0.60 -1.78 0.78 0.40 0.21 0.00 0.00 175.17 175.37 1snl h ILE 27 N 6.64 1.39 -0.01 0.77 2.04 -1.80 -3.31 117.51 123.23 1snl h ILE 27 Ca 0.03 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.07 1snl h ILE 27 Cb 1.03 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 1snl h ILE 27 CO 1.35 0.43 -0.13 -0.46 0.00 0.00 0.00 178.15 179.35 1snl n ASN 28 N -4.72 0.97 -3.60 1.72 2.04 -1.26 -4.95 115.26 105.47 1snl n ASN 28 Ca -0.08 -1.01 -0.26 0.00 -0.44 0.00 0.00 54.58 52.79 1snl n ASN 28 Cb 0.36 0.04 0.05 0.00 -2.53 0.00 0.00 39.78 37.69 1snl n ASN 28 CO 0.00 0.00 0.00 -0.24 -0.44 0.00 0.00 177.26 176.58 1snl n SER 29 N -0.49 -4.71 -1.26 0.53 2.88 -1.25 -4.86 113.62 104.46 1snl n SER 29 Ca 0.16 -0.91 0.12 0.00 -1.33 0.00 0.00 58.87 56.90 1snl n SER 29 Cb 0.32 -3.91 0.27 0.00 -0.75 0.00 0.00 64.21 60.13 1snl n SER 29 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1snl n ASP 30 N -2.88 3.70 0.00 -3.46 8.00 -1.26 -4.91 116.55 115.74 1snl n ASP 30 Ca -0.13 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.37 1snl n ASP 30 Cb 0.62 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1snl n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1snl n GLY 31 N 1.59 0.47 3.25 0.44 0.00 -1.26 -4.96 105.19 104.71 1snl n GLY 31 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.23 0.09 -0.15 1.61 -7.23 -1.26 -4.07 120.40 107.16 1snl s VAL 32 Ca 0.00 -1.61 -0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1snl s VAL 32 Cb 0.00 -1.89 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 1snl s VAL 32 CO 0.00 -0.41 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.06 1snl s LEU 33 N -2.99 2.85 0.30 1.32 2.96 -0.71 -4.92 118.68 117.49 1snl s LEU 33 Ca 0.19 -0.30 0.07 0.00 -0.22 0.00 0.00 54.13 53.87 1snl s LEU 33 Cb 0.05 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 1snl s LEU 33 CO -0.00 0.14 0.29 1.51 -1.32 0.00 0.00 176.35 176.97 1snl s ASP 34 N 0.50 5.52 0.00 3.68 -4.77 -1.26 -2.82 116.67 117.52 1snl s ASP 34 Ca -0.07 -0.34 0.00 0.00 -3.30 0.00 0.00 52.55 48.84 1snl s ASP 34 Cb -0.15 -1.21 0.00 0.00 -1.09 0.00 0.00 42.92 40.47 1snl s ASP 34 CO 0.04 -0.24 0.89 -0.62 0.70 0.00 0.00 175.17 175.94 1snl n GLU 35 N -1.34 0.00 0.06 2.11 4.71 -1.26 -1.34 120.64 123.58 1snl n GLU 35 Ca -0.04 0.40 -0.18 0.00 -0.01 0.00 0.00 57.16 57.33 1snl n GLU 35 Cb 0.59 -1.55 -0.14 0.00 -1.01 0.00 0.00 31.44 29.32 1snl n GLU 35 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1snl h GLN 36 N 0.00 0.27 0.12 3.49 1.08 -1.96 -1.84 115.11 116.27 1snl h GLN 36 Ca 0.00 -0.46 -0.28 0.00 -1.45 0.00 0.00 58.65 56.46 1snl h GLN 36 Cb 0.10 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1snl h GLN 36 CO 0.00 1.14 -1.31 1.49 -0.95 0.00 0.00 178.83 179.20 1snl h GLU 37 N 0.07 0.25 -0.16 1.46 4.57 -1.60 -2.29 114.58 116.89 1snl h GLU 37 Ca -0.28 -0.43 -0.17 0.00 -1.18 0.00 0.00 59.36 57.30 1snl h GLU 37 Cb 2.04 0.16 0.01 0.00 -0.16 0.00 0.00 28.75 30.79 1snl h GLU 37 CO 0.16 1.18 -0.56 1.25 -1.18 0.00 0.00 179.01 179.85 1snl h LEU 38 N 0.07 0.77 -0.59 1.64 5.85 -1.52 -1.11 115.31 120.42 1snl h LEU 38 Ca -0.16 -0.61 -0.15 0.00 0.84 0.00 0.00 57.88 57.80 1snl h LEU 38 Cb 1.98 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.77 1snl h LEU 38 CO 0.19 1.25 -0.60 -0.33 -0.34 0.00 0.00 178.44 178.61 1snl h GLU 39 N 0.34 0.35 0.00 1.25 5.08 -1.43 -2.93 114.58 117.25 1snl h GLU 39 Ca -0.03 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 57.98 1snl h GLU 39 Cb 1.19 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1snl h GLU 39 CO 0.12 0.84 -0.57 0.00 -1.00 0.00 0.00 179.01 178.40 1snl h ALA 40 N 1.10 0.92 -0.04 3.43 0.00 -1.38 -2.97 119.26 120.32 1snl h ALA 40 Ca -0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.26 1snl h ALA 40 Cb 1.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1snl h ALA 40 CO 0.10 0.72 -0.52 1.25 0.00 0.00 0.00 179.25 180.79 1snl h LEU 41 N 0.00 0.12 0.02 0.00 6.46 -1.02 -2.74 115.31 118.16 1snl h LEU 41 Ca -0.01 -0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.63 1snl h LEU 41 Cb 1.11 -0.03 0.01 0.00 -0.73 0.00 0.00 40.66 41.01 1snl h LEU 41 CO 0.07 0.62 -0.25 -0.26 -0.62 0.00 0.00 178.44 178.01 1snl h PHE 42 N 0.09 0.21 -0.64 1.25 0.04 -1.45 -2.72 116.94 113.72 1snl h PHE 42 Ca -0.00 -0.13 0.05 0.00 2.80 0.00 0.00 57.97 60.69 1snl h PHE 42 Cb 0.96 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 39.04 1snl h PHE 42 CO 0.01 1.01 0.36 1.15 -0.60 0.00 0.00 178.31 180.24 1snl h THR 43 N -0.65 1.00 -0.02 -1.55 2.02 -1.56 -2.56 112.91 109.59 1snl h THR 43 Ca -0.04 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 1snl h THR 43 Cb 1.10 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1snl h THR 43 CO 0.05 0.13 -0.19 0.11 0.37 0.00 0.00 175.52 175.99 1snl h LYS 44 N 0.69 0.16 -0.19 6.66 1.57 -1.60 -3.22 116.57 120.64 1snl h LYS 44 Ca 0.27 -0.15 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 1snl h LYS 44 Cb 0.12 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1snl h LYS 44 CO -0.15 0.84 0.17 0.93 -0.57 0.00 0.00 179.45 180.67 1snl h GLU 45 N -0.47 0.00 0.00 3.15 4.39 -1.44 0.68 114.58 120.89 1snl h GLU 45 Ca -0.02 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 1snl h GLU 45 Cb 0.89 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1snl h GLU 45 CO 0.04 0.00 -0.29 -0.07 -1.16 0.00 0.00 179.01 177.53 1snl h LEU 46 N 0.00 0.00 0.00 1.33 3.38 -1.46 -2.52 115.31 116.04 1snl h LEU 46 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1snl h LEU 46 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1snl h LEU 46 CO -0.00 0.29 0.00 -1.84 0.09 0.00 0.00 178.44 176.98 1snl n GLU 47 N -3.57 0.27 0.00 1.13 -0.00 0.23 -1.10 120.64 117.60 1snl n GLU 47 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.16 57.23 1snl n GLU 47 Cb 0.43 -1.31 0.04 0.00 -0.00 0.00 0.00 31.44 30.59 1snl n GLU 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1snl n LYS 48 N -0.81 1.42 0.01 3.44 5.02 -0.95 -4.71 118.16 121.59 1snl n LYS 48 Ca 0.04 -1.16 -0.03 0.00 -2.02 0.00 0.00 58.31 55.14 1snl n LYS 48 Cb 0.02 -1.27 -0.01 0.00 -0.02 0.00 0.00 35.03 33.75 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 0.45 1.23 -0.35 -0.18 0.31 -0.26 -5.07 118.33 114.48 1snl n VAL 49 Ca 0.08 0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.71 1snl n VAL 49 Cb 0.36 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 -3.71 0.00 -3.03 3.52 4.01 -1.15 -5.06 117.16 111.75 1snl n TYR 50 Ca -0.04 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.53 1snl n TYR 50 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 1snl n TYR 50 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1snl n ASP 51 N 0.00 -0.71 -4.04 7.72 5.68 -1.26 -4.90 116.55 119.05 1snl n ASP 51 Ca 0.00 -3.05 -0.29 0.00 -0.50 0.00 0.00 54.79 50.95 1snl n ASP 51 Cb 0.00 0.27 0.25 0.00 -1.14 0.00 0.00 41.12 40.51 1snl n ASP 51 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 1snl s PRO 52 N -0.86 -1.49 -0.81 0.11 0.04 -1.26 -4.91 135.00 125.82 1snl s PRO 52 Ca 0.34 0.35 -0.02 0.00 0.04 0.00 0.00 61.00 61.70 1snl s PRO 52 Cb 0.24 -1.53 0.27 0.00 0.04 0.00 0.00 34.50 33.53 1snl s PRO 52 CO -0.13 -3.97 2.18 1.63 0.04 0.00 0.00 177.00 176.75 1snl n LYS 53 N -5.02 3.12 -0.68 4.56 5.02 -1.26 -4.75 118.16 119.16 1snl n LYS 53 Ca 0.08 -3.42 0.00 0.00 -2.02 0.00 0.00 58.31 52.95 1snl n LYS 53 Cb 0.58 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 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 -0.07 -2.81 -3.76 4.39 4.05 -1.26 -4.87 115.26 110.92 1snl n ASN 54 Ca 0.52 0.00 -0.15 0.00 0.45 0.00 0.00 54.58 55.40 1snl n ASN 54 Cb 0.30 -2.72 -0.16 0.00 1.23 0.00 0.00 39.78 38.44 1snl n ASN 54 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1snl s GLU 55 N -1.36 -0.03 -0.69 1.20 0.41 -1.26 -5.08 118.70 111.89 1snl s GLU 55 Ca 0.00 0.22 -0.26 0.00 -0.41 0.00 0.00 54.97 54.52 1snl s GLU 55 Cb 0.00 -0.26 -0.06 0.00 -1.78 0.00 0.00 34.13 32.04 1snl s GLU 55 CO 0.00 -0.18 2.08 -1.21 -0.49 0.00 0.00 175.26 175.46 1snl s GLU 56 N 1.16 2.34 -0.28 1.61 8.01 -1.26 -4.50 118.70 125.78 1snl s GLU 56 Ca -0.08 0.51 0.05 0.00 0.01 0.00 0.00 54.97 55.46 1snl s GLU 56 Cb -0.13 -4.67 0.19 0.00 -4.31 0.00 0.00 34.13 25.21 1snl s GLU 56 CO -0.03 -3.28 1.11 -3.47 0.01 0.00 0.00 175.26 169.59 1snl n ASP 57 N 14.62 -1.17 0.00 -0.19 2.03 -1.26 -4.96 116.55 125.63 1snl n ASP 57 Ca 0.33 -1.82 0.00 0.00 0.52 0.00 0.00 54.79 53.82 1snl n ASP 57 Cb 0.50 0.77 0.00 0.00 -0.72 0.00 0.00 41.12 41.67 1snl n ASP 57 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1snl n ASP 58 N -0.61 0.00 -1.03 1.67 2.03 -1.26 -4.92 116.55 112.42 1snl n ASP 58 Ca -0.15 -0.40 0.12 0.00 0.52 0.00 0.00 54.79 54.88 1snl n ASP 58 Cb 0.71 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 41.32 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 0.00 2.37 -0.22 -0.67 2.81 -1.26 -4.51 117.12 115.65 1snl n MET 59 Ca 0.00 -2.05 -0.06 0.00 -1.81 0.00 0.00 57.70 53.78 1snl n MET 59 Cb 0.10 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.12 1snl n MET 59 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1snl h ARG 60 N 4.28 -0.17 0.00 0.03 2.43 -1.98 0.52 114.38 119.49 1snl h ARG 60 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1snl h ARG 60 Cb 0.93 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1snl h ARG 60 CO 0.00 -0.11 0.53 0.39 -1.51 0.00 0.00 179.97 179.27 1snl n GLU 61 N -5.43 0.02 0.00 0.20 4.71 -1.26 0.75 120.64 119.63 1snl n GLU 61 Ca 0.04 0.32 0.00 0.00 -0.01 0.00 0.00 57.16 57.51 1snl n GLU 61 Cb 0.36 -2.09 0.00 0.00 -1.01 0.00 0.00 31.44 28.70 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 -1.51 0.31 0.07 3.49 0.00 0.16 -4.79 117.12 114.86 1snl n MET 62 Ca -0.00 -0.47 0.02 0.00 0.00 0.00 0.00 57.70 57.24 1snl n MET 62 Cb 0.53 -0.63 0.10 0.00 0.00 0.00 0.00 33.22 33.23 1snl n MET 62 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1snl n GLU 63 N -0.07 0.03 0.24 3.17 1.02 0.23 -0.16 120.64 125.09 1snl n GLU 63 Ca 0.00 0.34 0.07 0.00 -0.02 0.00 0.00 57.16 57.55 1snl n GLU 63 Cb 0.33 -1.96 0.58 0.00 -0.02 0.00 0.00 31.44 30.37 1snl n GLU 63 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1snl h GLU 64 N 0.00 0.00 -0.04 3.49 3.07 -1.87 -2.85 114.58 116.39 1snl h GLU 64 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1snl h GLU 64 Cb 0.74 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1snl h GLU 64 CO 0.00 0.14 -0.03 0.93 -1.40 0.00 0.00 179.01 178.65 1snl h GLU 65 N 0.00 0.09 -1.03 2.33 4.39 -0.95 -1.42 114.58 117.98 1snl h GLU 65 Ca -0.00 -0.04 0.27 0.00 0.34 0.00 0.00 59.36 59.92 1snl h GLU 65 Cb 0.27 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.80 1snl h GLU 65 CO 0.02 0.54 0.64 0.00 -1.16 0.00 0.00 179.01 179.04 1snl h ARG 66 N -0.36 0.46 0.07 2.33 3.08 -1.68 0.12 114.38 118.39 1snl h ARG 66 Ca 0.01 -0.03 -0.27 0.00 0.07 0.00 0.00 59.98 59.76 1snl h ARG 66 Cb 0.52 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1snl h ARG 66 CO 0.01 0.30 -1.32 1.25 -1.07 0.00 0.00 179.97 179.14 1snl h LEU 67 N 0.47 0.23 -0.87 3.04 5.85 -1.52 -2.35 115.31 120.16 1snl h LEU 67 Ca 0.64 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 59.01 1snl h LEU 67 Cb 1.42 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1snl h LEU 67 CO -0.41 1.23 0.21 -0.09 -0.34 0.00 0.00 178.44 179.05 1snl h ARG 68 N 0.04 1.04 0.00 1.25 9.65 0.32 -0.63 114.38 126.06 1snl h ARG 68 Ca -0.15 -0.21 -0.08 0.00 -1.10 0.00 0.00 59.98 58.44 1snl h ARG 68 Cb 1.93 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 30.34 1snl h ARG 68 CO 0.15 0.89 -0.43 0.52 2.80 0.00 0.00 179.97 183.90 1snl h MET 69 N 1.00 0.00 -0.95 0.20 0.00 -1.34 -2.59 114.93 111.26 1snl h MET 69 Ca 0.22 0.00 0.18 0.00 0.00 0.00 0.00 59.70 60.10 1snl h MET 69 Cb 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 31.60 31.78 1snl h MET 69 CO -0.01 0.89 0.54 -0.09 0.00 0.00 0.00 176.91 178.24 1snl h ARG 70 N -1.00 0.66 0.07 1.72 2.43 -1.45 -0.13 114.38 116.68 1snl h ARG 70 Ca -0.11 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1snl h ARG 70 Cb 1.01 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1snl h ARG 70 CO -0.07 0.44 -0.03 1.49 -1.51 0.00 0.00 179.97 180.29 1snl h GLU 71 N 0.68 -0.08 -0.82 0.20 4.57 -1.22 -1.64 114.58 116.26 1snl h GLU 71 Ca 0.55 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.83 1snl h GLU 71 Cb 0.85 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.41 1snl h GLU 71 CO -0.40 0.50 0.53 1.25 -1.18 0.00 0.00 179.01 179.72 1snl h HIS 72 N -0.83 0.81 0.12 0.92 2.76 -1.11 0.50 115.15 118.32 1snl h HIS 72 Ca -0.01 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1snl h HIS 72 Cb 0.63 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.33 1snl h HIS 72 CO 0.14 0.37 -0.06 0.28 -1.30 0.00 0.00 177.93 177.36 1snl h VAL 73 N 0.75 0.76 0.00 5.26 2.07 -1.09 0.54 116.25 124.54 1snl h VAL 73 Ca 0.38 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1snl h VAL 73 Cb 0.47 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1snl h VAL 73 CO -0.15 0.22 0.00 0.24 0.02 0.00 0.00 177.57 177.90 1snl h MET 74 N -0.94 0.00 0.06 1.57 2.07 -1.07 0.70 114.93 117.32 1snl h MET 74 Ca -0.02 0.00 -0.36 0.00 -2.07 0.00 0.00 59.70 57.25 1snl h MET 74 Cb 0.49 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.18 1snl h MET 74 CO 0.03 0.00 -2.13 1.17 1.07 0.00 0.00 176.91 177.04 1snl n LYS 75 N -2.78 0.70 0.00 1.72 4.81 0.17 -3.52 118.16 119.27 1snl n LYS 75 Ca -0.02 0.21 0.10 0.00 -0.87 0.00 0.00 58.31 57.74 1snl n LYS 75 Cb 0.11 -1.65 -0.06 0.00 0.02 0.00 0.00 35.03 33.45 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 -3.29 0.83 -0.05 3.14 5.03 0.18 -4.54 115.26 116.56 1snl n ASN 76 Ca -0.34 -0.77 -0.06 0.00 0.87 0.00 0.00 54.58 54.28 1snl n ASN 76 Cb 1.04 0.96 -0.06 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 -1.59 0.63 -1.56 2.41 0.31 0.24 -4.91 118.33 113.86 1snl n VAL 77 Ca 0.03 -0.30 -0.44 0.00 -0.01 0.00 0.00 64.34 63.62 1snl n VAL 77 Cb 0.36 -0.84 -0.04 0.00 -0.91 0.00 0.00 33.84 32.40 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 -2.62 2.95 -0.07 4.52 8.00 -1.21 -4.82 116.55 123.29 1snl n ASP 78 Ca -0.18 0.20 -0.10 0.00 0.71 0.00 0.00 54.79 55.43 1snl n ASP 78 Cb 0.75 -1.49 -0.06 0.00 -0.02 0.00 0.00 41.12 40.29 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 7.18 0.65 -0.72 -3.53 1.35 -1.90 -3.37 112.91 112.57 1snl h THR 79 Ca -0.37 -1.61 -0.24 0.00 -0.55 0.00 0.00 66.41 63.64 1snl h THR 79 Cb 1.26 1.35 -0.14 0.00 -1.73 0.00 0.00 68.15 68.89 1snl h THR 79 CO 0.99 0.22 0.28 0.59 -0.25 0.00 0.00 175.52 177.35 1snl n ASN 80 N -4.61 4.47 -1.81 5.36 5.03 -1.26 -4.92 115.26 117.53 1snl n ASN 80 Ca -0.12 -3.31 0.00 0.00 0.87 0.00 0.00 54.58 52.02 1snl n ASN 80 Cb 0.35 -0.74 0.00 0.00 -1.02 0.00 0.00 39.78 38.37 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 -0.38 -2.28 -0.03 3.52 1.13 -1.26 -4.61 117.38 113.47 1snl n GLN 81 Ca 0.42 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.49 1snl n GLN 81 Cb 1.38 -3.09 0.02 0.00 0.11 0.00 0.00 30.24 28.66 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 -0.93 0.27 0.00 1.08 5.75 -1.26 -4.78 116.55 116.68 1snl n ASP 82 Ca 0.00 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1snl n ASP 82 Cb 0.32 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 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 -0.35 0.00 -5.03 0.11 1.74 -1.26 -4.91 116.66 106.96 1snl n ARG 83 Ca 0.02 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.78 1snl n ARG 83 Cb 0.04 -3.45 -0.15 0.00 -1.02 0.00 0.00 32.46 27.88 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 2.43 -0.14 0.55 1.43 -1.26 -4.30 118.68 117.38 1snl s LEU 84 Ca 0.00 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1snl s LEU 84 Cb 0.00 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 1snl s LEU 84 CO 0.00 0.25 -0.08 -0.69 0.23 0.00 0.00 176.35 176.05 1snl s VAL 85 N -0.16 3.48 0.25 -1.59 1.01 -1.13 -4.84 120.40 117.43 1snl s VAL 85 Ca -0.02 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.52 1snl s VAL 85 Cb -0.14 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1snl s VAL 85 CO 0.04 0.51 0.20 0.42 0.00 0.00 0.00 175.10 176.27 1snl s THR 86 N 0.36 4.49 0.32 3.92 -4.23 -1.26 -1.73 115.64 117.51 1snl s THR 86 Ca -0.07 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1snl s THR 86 Cb -0.15 -3.43 0.24 0.00 1.34 0.00 0.00 72.50 70.50 1snl s THR 86 CO 0.04 -0.34 1.96 0.25 -0.54 0.00 0.00 174.62 175.99 1snl h LEU 87 N 1.50 0.78 0.04 4.79 5.85 -1.99 -1.38 115.31 124.90 1snl h LEU 87 Ca -0.49 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.18 1snl h LEU 87 Cb 1.24 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1snl h LEU 87 CO 0.61 0.61 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.97 1snl h GLU 88 N 0.89 -0.06 -0.03 1.25 5.08 -1.94 -1.15 114.58 118.62 1snl h GLU 88 Ca 0.23 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1snl h GLU 88 Cb -0.01 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1snl h GLU 88 CO -0.04 -0.04 -0.00 0.93 -1.00 0.00 0.00 179.01 178.86 1snl h GLU 89 N -0.06 0.04 0.15 2.33 4.39 -1.98 -2.75 114.58 116.70 1snl h GLU 89 Ca -0.01 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1snl h GLU 89 Cb 0.05 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1snl h GLU 89 CO 0.01 0.05 -0.07 0.35 -1.16 0.00 0.00 179.01 178.19 1snl h PHE 90 N 0.04 -0.19 -0.80 4.33 3.57 -1.18 -2.84 116.94 119.87 1snl h PHE 90 Ca 0.01 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.69 1snl h PHE 90 Cb 0.03 0.06 -0.12 0.00 2.79 0.00 0.00 35.95 38.71 1snl h PHE 90 CO 0.00 0.08 0.23 -0.07 -2.23 0.00 0.00 178.31 176.32 1snl h LEU 91 N -0.45 0.08 0.47 0.59 3.38 -0.90 -1.75 115.31 116.73 1snl h LEU 91 Ca -0.02 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1snl h LEU 91 Cb 0.35 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1snl h LEU 91 CO 0.03 -0.05 -0.50 0.00 0.09 0.00 0.00 178.44 178.01 1snl h ALA 92 N 1.67 -1.14 -1.37 1.53 0.00 -1.44 -0.01 119.26 118.50 1snl h ALA 92 Ca 0.47 -0.18 0.44 0.00 0.00 0.00 0.00 54.91 55.64 1snl h ALA 92 Cb 0.85 0.74 -0.12 0.00 0.00 0.00 0.00 17.79 19.26 1snl h ALA 92 CO -0.54 -1.18 0.90 1.03 0.00 0.00 0.00 179.25 179.46 1snl h SER 93 N -0.98 0.22 0.00 0.00 0.87 -1.09 -0.30 113.55 112.27 1snl h SER 93 Ca -0.06 0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 1snl h SER 93 Cb 0.85 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 1snl h SER 93 CO -0.08 -0.15 -0.51 0.71 -0.53 0.00 0.00 176.83 176.27 1snl h THR 94 N 0.09 1.27 -2.00 2.23 1.35 -1.26 -3.45 112.91 111.13 1snl h THR 94 Ca 0.81 -2.14 -0.63 0.00 -0.55 0.00 0.00 66.41 63.90 1snl h THR 94 Cb 2.63 2.58 0.04 0.00 -1.73 0.00 0.00 68.15 71.67 1snl h THR 94 CO -0.36 0.43 0.83 0.00 -0.25 0.00 0.00 175.52 176.17 1snl n GLN 95 N -4.55 1.85 -3.06 4.72 1.13 -0.08 -4.91 117.38 112.48 1snl n GLN 95 Ca -0.18 0.67 -0.10 0.00 -1.94 0.00 0.00 57.00 55.45 1snl n GLN 95 Cb 0.52 -2.43 -0.03 0.00 0.11 0.00 0.00 30.24 28.41 1snl n GLN 95 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1snl s ARG 96 N 2.04 0.93 -0.10 -1.09 3.00 -1.26 -4.86 118.95 117.60 1snl s ARG 96 Ca 0.86 -1.12 -0.07 0.00 -1.00 0.00 0.00 55.73 54.40 1snl s ARG 96 Cb -0.78 -0.42 0.03 0.00 0.00 0.00 0.00 34.95 33.78 1snl s ARG 96 CO 0.47 -1.30 0.14 1.17 0.00 0.00 0.00 175.30 175.78 1snl n LYS 97 N 3.37 -3.58 -1.55 5.12 4.81 -1.26 -4.52 118.16 120.54 1snl n LYS 97 Ca 0.18 2.74 -0.16 0.00 -0.87 0.00 0.00 58.31 60.20 1snl n LYS 97 Cb 0.53 -3.66 -0.08 0.00 0.02 0.00 0.00 35.03 31.84 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 1.98 0.56 0.00 1.64 2.13 -1.26 -5.28 120.64 120.40 1snl n GLU 98 Ca -0.24 -0.72 0.00 0.00 0.66 0.00 0.00 57.16 56.86 1snl n GLU 98 Cb 0.37 -3.49 0.00 0.00 0.27 0.00 0.00 31.44 28.58 1snl n GLU 98 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91