#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fh0 n GLU 37 N 0.00 0.74 -2.74 1.61 4.71 -1.26 -5.01 120.64 118.69 2fh0 n GLU 37 Ca 0.00 0.07 -0.17 0.00 -0.01 0.00 0.00 57.16 57.04 2fh0 n GLU 37 Cb 0.00 -1.49 0.02 0.00 -1.01 0.00 0.00 31.44 28.96 2fh0 n GLU 37 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 2fh0 n ASN 38 N -2.96 -5.06 -3.09 1.62 5.15 -1.26 -4.96 115.26 104.71 2fh0 n ASN 38 Ca -0.37 -0.18 -0.19 0.00 -0.60 0.00 0.00 54.58 53.24 2fh0 n ASN 38 Cb 1.04 -3.96 -0.04 0.00 -0.53 0.00 0.00 39.78 36.29 2fh0 n ASN 38 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2fh0 n SER 39 N -1.46 -1.16 -3.64 1.20 7.64 -1.26 -5.11 113.62 109.83 2fh0 n SER 39 Ca -0.11 -2.78 -0.06 0.00 1.01 0.00 0.00 58.87 56.93 2fh0 n SER 39 Cb 0.60 0.25 -0.07 0.00 -1.01 0.00 0.00 64.21 63.98 2fh0 n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fh0 s ALA 40 N -0.18 -2.07 0.17 -0.43 0.00 -1.26 -5.15 121.76 112.84 2fh0 s ALA 40 Ca 0.33 2.12 -0.33 0.00 0.00 0.00 0.00 51.96 54.08 2fh0 s ALA 40 Cb 0.13 -1.54 -0.14 0.00 0.00 0.00 0.00 23.12 21.57 2fh0 s ALA 40 CO -0.15 -0.31 1.55 -2.30 0.00 0.00 0.00 175.76 174.54 2fh0 n PRO 41 N 3.23 2.12 -3.36 0.00 -0.02 -1.26 -4.98 135.00 130.73 2fh0 n PRO 41 Ca -0.16 0.76 0.02 0.00 -2.02 0.00 0.00 63.50 62.10 2fh0 n PRO 41 Cb 0.57 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 2fh0 n PRO 41 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2fh0 s VAL 42 N 0.75 -0.50 0.00 -1.45 0.11 -1.26 -4.99 120.40 113.06 2fh0 s VAL 42 Ca 0.77 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.82 2fh0 s VAL 42 Cb -0.68 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.17 2fh0 s VAL 42 CO 0.40 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 2fh0 n GLY 43 N 5.05 3.20 0.29 6.54 0.00 -1.26 -4.89 105.19 114.12 2fh0 n GLY 43 Ca -0.08 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.88 2fh0 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fh0 h ALA 44 N 0.00 0.96 -0.36 4.61 0.00 -1.98 0.50 119.26 122.99 2fh0 h ALA 44 Ca 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 2fh0 h ALA 44 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2fh0 h ALA 44 CO 0.00 0.62 -0.35 0.00 0.00 0.00 0.00 179.25 179.52 2fh0 h ALA 45 N 1.13 0.71 0.00 0.00 0.00 -1.95 -3.10 119.26 116.04 2fh0 h ALA 45 Ca 0.15 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2fh0 h ALA 45 Cb 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2fh0 h ALA 45 CO 0.03 0.66 -0.56 0.44 0.00 0.00 0.00 179.25 179.82 2fh0 n ILE 46 N -4.06 0.08 0.10 0.00 -5.35 -1.14 -4.10 119.36 104.89 2fh0 n ILE 46 Ca -0.01 -0.07 0.16 0.00 -0.27 0.00 0.00 62.75 62.56 2fh0 n ILE 46 Cb 0.51 0.17 0.70 0.00 -1.74 0.00 0.00 39.64 39.28 2fh0 n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2fh0 h ALA 47 N 2.87 2.27 0.00 -1.28 0.00 0.10 0.69 119.26 123.90 2fh0 h ALA 47 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2fh0 h ALA 47 Cb 0.57 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2fh0 h ALA 47 CO 0.00 -0.43 -0.49 -0.91 0.00 0.00 0.00 179.25 177.42 2fh0 h ASN 48 N 0.00 0.00 -0.80 0.00 2.35 -1.73 -3.18 115.58 112.21 2fh0 h ASN 48 Ca 0.16 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.54 2fh0 h ASN 48 Cb 0.67 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.82 2fh0 h ASN 48 CO -0.00 0.49 0.47 0.49 -1.65 0.00 0.00 177.43 177.23 2fh0 n PHE 49 N -3.32 2.53 -4.51 1.19 3.01 0.22 -4.88 117.46 111.70 2fh0 n PHE 49 Ca 0.01 -1.49 -0.28 0.00 1.01 0.00 0.00 57.45 56.71 2fh0 n PHE 49 Cb 0.67 -0.79 -0.17 0.00 -0.01 0.00 0.00 39.48 39.19 2fh0 n PHE 49 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2fh0 s LEU 50 N -2.79 1.69 0.55 4.37 1.43 -1.14 -3.46 118.68 119.32 2fh0 s LEU 50 Ca 0.49 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 53.01 2fh0 s LEU 50 Cb 0.41 -1.02 -0.06 0.00 0.03 0.00 0.00 46.19 45.55 2fh0 s LEU 50 CO 0.10 0.02 1.13 -1.61 0.23 0.00 0.00 176.35 176.23 2fh0 s GLU 51 N 0.90 3.34 0.18 1.70 8.01 -1.22 -4.88 118.70 126.73 2fh0 s GLU 51 Ca -0.09 1.62 -0.13 0.00 0.01 0.00 0.00 54.97 56.38 2fh0 s GLU 51 Cb -0.15 -2.00 0.09 0.00 -4.31 0.00 0.00 34.13 27.76 2fh0 s GLU 51 CO 0.00 -0.86 1.84 -1.00 0.01 0.00 0.00 175.26 175.25 2fh0 h PRO 52 N 1.18 0.73 -0.29 0.39 0.13 -1.97 0.44 132.00 132.61 2fh0 h PRO 52 Ca -0.50 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.47 2fh0 h PRO 52 Cb 1.26 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2fh0 h PRO 52 CO 0.57 0.48 -0.25 1.96 -0.23 0.00 0.00 178.00 180.52 2fh0 h GLN 53 N 0.75 0.68 -0.40 0.86 1.08 -1.96 -2.59 115.11 113.54 2fh0 h GLN 53 Ca 0.21 -0.35 -0.03 0.00 -1.45 0.00 0.00 58.65 57.03 2fh0 h GLN 53 Cb -0.06 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 2fh0 h GLN 53 CO -0.06 0.96 0.11 0.00 -0.95 0.00 0.00 178.83 178.89 2fh0 h ALA 54 N 0.71 1.46 -0.32 3.87 0.00 -1.77 -2.35 119.26 120.86 2fh0 h ALA 54 Ca 0.05 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2fh0 h ALA 54 Cb 0.82 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2fh0 h ALA 54 CO 0.06 0.40 -0.37 -0.07 0.00 0.00 0.00 179.25 179.28 2fh0 h LEU 55 N 0.57 0.77 -0.17 0.00 3.38 -0.82 -1.36 115.31 117.67 2fh0 h LEU 55 Ca 0.13 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2fh0 h LEU 55 Cb 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2fh0 h LEU 55 CO -0.01 1.06 0.05 -0.08 0.09 0.00 0.00 178.44 179.55 2fh0 h GLU 56 N 0.60 0.27 -0.18 1.13 4.81 -1.04 -2.50 114.58 117.68 2fh0 h GLU 56 Ca 0.06 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2fh0 h GLU 56 Cb 0.90 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 2fh0 h GLU 56 CO 0.08 0.40 -0.43 0.07 -0.73 0.00 0.00 179.01 178.41 2fh0 h ARG 57 N 0.09 0.44 -0.89 1.92 -0.00 -1.44 -3.00 114.38 111.50 2fh0 h ARG 57 Ca 0.05 -0.22 -0.00 0.00 -0.00 0.00 0.00 59.98 59.81 2fh0 h ARG 57 Cb 0.25 0.01 -0.04 0.00 -0.00 0.00 0.00 29.97 30.18 2fh0 h ARG 57 CO -0.00 0.79 0.54 1.25 -0.00 0.00 0.00 179.97 182.55 2fh0 h LEU 58 N 0.36 1.05 -0.82 0.08 5.85 -1.14 -1.17 115.31 119.52 2fh0 h LEU 58 Ca 0.03 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 2fh0 h LEU 58 Cb 0.90 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 2fh0 h LEU 58 CO 0.08 0.80 0.01 0.28 -0.34 0.00 0.00 178.44 179.27 2fh0 h SER 59 N 1.22 0.86 -0.26 1.25 0.02 -1.32 -0.50 113.55 114.83 2fh0 h SER 59 Ca 0.32 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2fh0 h SER 59 Cb -0.07 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 2fh0 h SER 59 CO -0.06 0.92 -0.02 -0.09 -1.14 0.00 0.00 176.83 176.44 2fh0 h ARG 60 N 0.83 0.46 -0.52 3.45 9.65 -1.27 -2.75 114.38 124.24 2fh0 h ARG 60 Ca 0.16 -0.16 -0.11 0.00 -1.10 0.00 0.00 59.98 58.77 2fh0 h ARG 60 Cb 0.48 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 2fh0 h ARG 60 CO 0.02 0.65 -0.12 -0.24 2.80 0.00 0.00 179.97 183.08 2fh0 h VAL 61 N 0.23 1.27 -0.33 0.20 3.04 -1.13 -2.90 116.25 116.63 2fh0 h VAL 61 Ca 0.07 -1.27 0.04 0.00 -1.01 0.00 0.00 66.70 64.53 2fh0 h VAL 61 Cb 0.45 1.02 -0.02 0.00 -2.01 0.00 0.00 31.29 30.73 2fh0 h VAL 61 CO 0.02 0.45 0.22 0.00 -1.01 0.00 0.00 177.57 177.25 2fh0 h ALA 62 N 0.91 1.97 -0.19 3.17 0.00 -1.05 0.42 119.26 124.48 2fh0 h ALA 62 Ca 0.13 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2fh0 h ALA 62 Cb 0.69 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2fh0 h ALA 62 CO 0.05 -0.03 -0.20 -0.07 0.00 0.00 0.00 179.25 179.00 2fh0 h LEU 63 N 0.27 0.32 0.00 0.00 3.38 -1.27 -3.01 115.31 115.00 2fh0 h LEU 63 Ca 0.14 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 2fh0 h LEU 63 Cb 0.22 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2fh0 h LEU 63 CO -0.03 0.54 -1.21 0.52 0.09 0.00 0.00 178.44 178.35 2fh0 n VAL 64 N -4.18 1.49 -3.74 1.22 0.31 -0.52 -4.84 118.33 108.07 2fh0 n VAL 64 Ca -0.00 0.01 -0.30 0.00 -0.01 0.00 0.00 64.34 64.04 2fh0 n VAL 64 Cb 0.34 -2.17 -0.13 0.00 -0.91 0.00 0.00 33.84 30.97 2fh0 n VAL 64 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2fh0 s ARG 65 N -2.42 1.22 0.46 5.55 1.81 0.13 -4.97 118.95 120.73 2fh0 s ARG 65 Ca -0.26 -1.86 0.11 0.00 -1.72 0.00 0.00 55.73 52.01 2fh0 s ARG 65 Cb 0.06 -2.36 1.05 0.00 -0.45 0.00 0.00 34.95 33.25 2fh0 s ARG 65 CO 0.43 -1.12 2.10 0.00 -0.68 0.00 0.00 175.30 176.03 2fh0 h ARG 66 N 7.01 0.26 -0.68 3.54 3.08 -1.69 -2.62 114.38 123.27 2fh0 h ARG 66 Ca -0.04 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.08 2fh0 h ARG 66 Cb 0.95 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.87 2fh0 h ARG 66 CO 0.49 0.19 0.34 -0.44 -1.07 0.00 0.00 179.97 179.47 2fh0 h ASP 67 N 0.27 0.45 -0.06 7.04 3.32 -1.93 0.62 116.42 126.13 2fh0 h ASP 67 Ca 0.07 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2fh0 h ASP 67 Cb -0.01 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 2fh0 h ASP 67 CO -0.01 0.26 0.01 0.03 -1.72 0.00 0.00 179.24 177.81 2fh0 h ARG 68 N 0.59 0.10 -0.31 3.56 2.47 -1.84 -2.64 114.38 116.31 2fh0 h ARG 68 Ca 0.33 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.94 2fh0 h ARG 68 Cb 0.33 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 2fh0 h ARG 68 CO -0.25 0.34 -0.15 0.00 0.56 0.00 0.00 179.97 180.47 2fh0 h ALA 69 N 0.75 1.17 -0.85 0.04 0.00 -1.42 -2.60 119.26 116.35 2fh0 h ALA 69 Ca 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2fh0 h ALA 69 Cb 0.29 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2fh0 h ALA 69 CO 0.00 0.53 0.51 1.96 0.00 0.00 0.00 179.25 182.25 2fh0 h GLN 70 N 0.49 1.16 -0.00 0.00 4.20 0.33 -1.55 115.11 119.74 2fh0 h GLN 70 Ca 0.09 -0.11 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 2fh0 h GLN 70 Cb 0.55 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2fh0 h GLN 70 CO 0.04 0.82 -0.62 0.00 -0.67 0.00 0.00 178.83 178.39 2fh0 h ALA 71 N 1.28 0.97 -0.06 3.87 0.00 -1.28 -1.67 119.26 122.36 2fh0 h ALA 71 Ca 0.31 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2fh0 h ALA 71 Cb -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2fh0 h ALA 71 CO -0.06 0.77 -0.04 0.28 0.00 0.00 0.00 179.25 180.21 2fh0 h VAL 72 N 0.01 1.34 -0.30 0.00 2.07 -1.02 0.15 116.25 118.50 2fh0 h VAL 72 Ca -0.01 -1.09 -0.12 0.00 0.82 0.00 0.00 66.70 66.31 2fh0 h VAL 72 Cb 1.10 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 2fh0 h VAL 72 CO 0.08 0.30 -0.30 1.05 0.02 0.00 0.00 177.57 178.72 2fh0 h GLU 73 N -0.26 0.63 -0.04 1.57 4.11 -1.33 -2.54 114.58 116.73 2fh0 h GLU 73 Ca 0.01 -0.28 -0.16 0.00 0.07 0.00 0.00 59.36 59.01 2fh0 h GLU 73 Cb 0.50 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2fh0 h GLU 73 CO 0.01 0.86 -0.67 1.15 0.07 0.00 0.00 179.01 180.43 2fh0 h THR 74 N 0.54 1.42 -0.47 -1.06 2.02 -1.30 -3.06 112.91 111.00 2fh0 h THR 74 Ca 0.06 -2.16 -0.07 0.00 0.77 0.00 0.00 66.41 65.02 2fh0 h THR 74 Cb 0.79 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 69.32 2fh0 h THR 74 CO 0.07 0.63 0.04 0.22 0.37 0.00 0.00 175.52 176.85 2fh0 h TYR 75 N 0.14 0.87 -0.41 3.16 5.03 -0.51 -1.65 116.97 123.60 2fh0 h TYR 75 Ca -0.01 -0.14 0.01 0.00 2.58 0.00 0.00 58.73 61.17 2fh0 h TYR 75 Cb 1.20 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 39.23 2fh0 h TYR 75 CO 0.02 0.82 0.25 1.25 -1.32 0.00 0.00 178.16 179.18 2fh0 h LEU 76 N 0.67 0.42 -1.01 2.82 5.85 -1.43 -1.68 115.31 120.95 2fh0 h LEU 76 Ca 0.14 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 2fh0 h LEU 76 Cb 0.45 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2fh0 h LEU 76 CO 0.02 0.30 -0.26 0.07 -0.34 0.00 0.00 178.44 178.23 2fh0 h LYS 77 N 0.51 0.41 -0.52 1.25 2.10 -1.45 -2.19 116.57 116.68 2fh0 h LYS 77 Ca 0.16 -0.15 -0.04 0.00 -2.00 0.00 0.00 60.65 58.62 2fh0 h LYS 77 Cb -0.02 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.26 2fh0 h LYS 77 CO -0.06 0.64 0.17 0.87 -2.00 0.00 0.00 179.45 179.07 2fh0 h LYS 78 N 0.36 0.80 -0.16 0.07 1.57 -0.78 0.23 116.57 118.66 2fh0 h LYS 78 Ca 0.05 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2fh0 h LYS 78 Cb 0.65 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2fh0 h LYS 78 CO 0.05 0.73 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.57 2fh0 h LEU 79 N 0.71 0.29 -1.00 2.94 4.07 -1.16 -1.37 115.31 119.80 2fh0 h LEU 79 Ca 0.17 -0.35 -0.07 0.00 0.08 0.00 0.00 57.88 57.71 2fh0 h LEU 79 Cb 0.26 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 2fh0 h LEU 79 CO -0.01 0.57 -0.08 0.40 -1.08 0.00 0.00 178.44 178.25 2fh0 h ILE 80 N 0.01 1.24 0.00 1.22 2.04 -1.22 0.75 117.51 121.55 2fh0 h ILE 80 Ca 0.04 -1.03 -0.10 0.00 1.00 0.00 0.00 64.86 64.78 2fh0 h ILE 80 Cb 0.43 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2fh0 h ILE 80 CO 0.01 0.35 -0.46 0.00 0.00 0.00 0.00 178.15 178.05 2fh0 h ALA 81 N 1.33 1.11 -2.52 1.87 0.00 -0.44 -3.39 119.26 117.22 2fh0 h ALA 81 Ca 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2fh0 h ALA 81 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2fh0 h ALA 81 CO 0.03 0.57 0.00 0.25 0.00 0.00 0.00 179.25 180.10 2fh0 n THR 82 N -3.81 0.00 -2.25 0.00 -2.24 -0.52 -4.99 114.28 100.47 2fh0 n THR 82 Ca -0.01 0.08 -0.02 0.00 -2.27 0.00 0.00 64.05 61.83 2fh0 n THR 82 Cb 0.51 -0.53 0.03 0.00 -2.10 0.00 0.00 70.33 68.23 2fh0 n THR 82 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2fh0 n ASN 83 N -1.06 -0.65 -3.90 3.42 2.04 -0.61 -5.09 115.26 109.40 2fh0 n ASN 83 Ca 0.00 -1.38 -0.30 0.00 -0.44 0.00 0.00 54.58 52.45 2fh0 n ASN 83 Cb 0.00 0.27 -0.14 0.00 -2.53 0.00 0.00 39.78 37.38 2fh0 n ASN 83 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 2fh0 s ASN 84 N -0.55 4.35 -0.39 0.53 0.01 0.25 -4.95 114.94 114.20 2fh0 s ASN 84 Ca 0.03 -2.32 0.11 0.00 -0.71 0.00 0.00 52.86 49.97 2fh0 s ASN 84 Cb 0.14 -1.39 0.36 0.00 0.41 0.00 0.00 41.25 40.77 2fh0 s ASN 84 CO -0.04 -0.34 0.92 0.52 -1.51 0.00 0.00 177.10 176.65 2fh0 n VAL 85 N 4.00 0.08 -1.55 1.60 0.31 -1.26 -2.80 118.33 118.72 2fh0 n VAL 85 Ca 0.04 -3.31 0.04 0.00 -0.01 0.00 0.00 64.34 61.09 2fh0 n VAL 85 Cb 0.39 0.44 0.05 0.00 -0.91 0.00 0.00 33.84 33.80 2fh0 n VAL 85 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2fh0 n THR 86 N 0.17 0.75 -3.61 2.52 -2.24 -1.26 -5.09 114.28 105.52 2fh0 n THR 86 Ca 0.15 -0.90 -0.03 0.00 -2.27 0.00 0.00 64.05 61.00 2fh0 n THR 86 Cb 0.71 0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 69.16 2fh0 n THR 86 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2fh0 s HIS 87 N -1.13 -0.08 0.31 4.78 -3.43 -1.26 -5.18 115.29 109.29 2fh0 s HIS 87 Ca 0.12 0.05 0.09 0.00 -0.80 0.00 0.00 55.06 54.52 2fh0 s HIS 87 Cb 0.11 0.51 -0.04 0.00 -1.43 0.00 0.00 32.58 31.72 2fh0 s HIS 87 CO 0.01 -0.13 0.08 0.15 -2.00 0.00 0.00 174.74 172.85 2fh0 s LYS 88 N -2.27 2.34 -0.80 -0.38 1.02 -1.26 -5.06 119.74 113.33 2fh0 s LYS 88 Ca 0.10 -1.50 -0.23 0.00 0.02 0.00 0.00 55.97 54.37 2fh0 s LYS 88 Cb -0.01 -2.16 0.07 0.00 -0.52 0.00 0.00 37.83 35.21 2fh0 s LYS 88 CO -0.04 0.22 1.15 0.42 -0.92 0.00 0.00 175.35 176.18 2fh0 s ILE 89 N -2.38 4.23 1.00 2.17 1.01 -1.23 -4.95 121.20 121.05 2fh0 s ILE 89 Ca 0.35 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 60.26 2fh0 s ILE 89 Cb -0.04 -4.82 0.22 0.00 0.01 0.00 0.00 42.46 37.83 2fh0 s ILE 89 CO 0.21 -1.63 1.31 0.42 0.00 0.00 0.00 174.94 175.25 2fh0 s THR 90 N 4.22 1.95 0.29 2.92 -4.23 -1.26 -3.45 115.64 116.08 2fh0 s THR 90 Ca 0.31 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 2fh0 s THR 90 Cb -0.09 -2.94 0.28 0.00 1.34 0.00 0.00 72.50 71.09 2fh0 s THR 90 CO 0.03 0.00 1.87 1.05 -0.54 0.00 0.00 174.62 177.03 2fh0 h GLU 91 N -1.80 1.02 -0.28 3.99 -0.00 -1.92 0.40 114.58 115.99 2fh0 h GLU 91 Ca -0.44 -0.06 -0.13 0.00 -0.00 0.00 0.00 59.36 58.73 2fh0 h GLU 91 Cb 1.23 -0.23 -0.00 0.00 -0.00 0.00 0.00 28.75 29.75 2fh0 h GLU 91 CO 0.36 0.67 -0.32 0.00 -0.00 0.00 0.00 179.01 179.72 2fh0 h ALA 92 N 1.51 0.42 -0.37 1.06 0.00 -2.00 -2.74 119.26 117.13 2fh0 h ALA 92 Ca 0.44 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2fh0 h ALA 92 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2fh0 h ALA 92 CO -0.20 0.46 -0.26 0.93 0.00 0.00 0.00 179.25 180.18 2fh0 h GLU 93 N 0.46 0.84 -0.69 0.00 5.08 -1.69 -2.67 114.58 115.91 2fh0 h GLU 93 Ca 0.04 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 2fh0 h GLU 93 Cb 0.89 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 2fh0 h GLU 93 CO 0.08 1.04 0.27 0.97 -1.00 0.00 0.00 179.01 180.36 2fh0 h ILE 94 N 0.64 1.24 -0.44 3.13 2.10 -0.26 -2.03 117.51 121.89 2fh0 h ILE 94 Ca 0.07 -0.76 -0.10 0.00 1.08 0.00 0.00 64.86 65.16 2fh0 h ILE 94 Cb 0.83 0.42 -0.01 0.00 -1.09 0.00 0.00 36.82 36.97 2fh0 h ILE 94 CO 0.07 0.30 -0.12 0.58 -1.08 0.00 0.00 178.15 177.91 2fh0 h VAL 95 N 1.00 1.27 -0.50 2.19 2.07 -1.45 0.46 116.25 121.29 2fh0 h VAL 95 Ca 0.23 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 2fh0 h VAL 95 Cb 0.20 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2fh0 h VAL 95 CO -0.02 0.42 0.31 0.77 0.02 0.00 0.00 177.57 179.07 2fh0 h SER 96 N 0.68 0.60 -0.42 0.57 4.64 -1.21 0.41 113.55 118.83 2fh0 h SER 96 Ca 0.11 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 2fh0 h SER 96 Cb 0.66 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2fh0 h SER 96 CO 0.05 0.47 -0.21 0.40 -0.87 0.00 0.00 176.83 176.66 2fh0 h ILE 97 N 0.68 1.28 -0.21 0.95 2.04 -1.30 -2.31 117.51 118.62 2fh0 h ILE 97 Ca 0.18 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 2fh0 h ILE 97 Cb -0.03 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2fh0 h ILE 97 CO -0.04 0.46 0.13 0.25 0.00 0.00 0.00 178.15 178.95 2fh0 h LEU 98 N 0.71 0.25 -1.38 1.44 6.46 -0.51 0.32 115.31 122.61 2fh0 h LEU 98 Ca 0.09 -0.05 0.05 0.00 -0.12 0.00 0.00 57.88 57.85 2fh0 h LEU 98 Cb 0.78 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.60 2fh0 h LEU 98 CO 0.06 0.22 0.46 0.78 -0.62 0.00 0.00 178.44 179.35 2fh0 h ASN 99 N 0.26 0.68 0.12 1.25 2.35 -0.13 -1.65 115.58 118.47 2fh0 h ASN 99 Ca 0.08 -0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.61 2fh0 h ASN 99 Cb 0.02 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2fh0 h ASN 99 CO -0.01 0.46 -0.82 1.23 -1.65 0.00 0.00 177.43 176.64 2fh0 h GLY 100 N 0.79 0.62 0.69 2.83 0.00 -0.94 -1.52 103.07 105.55 2fh0 h GLY 100 Ca 0.29 -0.94 0.04 0.00 0.00 0.00 0.00 47.33 46.73 2fh0 h GLY 100 CO -0.09 0.83 0.14 -2.22 0.00 0.00 0.00 176.54 175.20 2fh0 h ILE 101 N 0.37 0.90 -0.01 2.60 2.04 -0.04 0.41 117.51 123.77 2fh0 h ILE 101 Ca -0.06 -0.10 -0.18 0.00 1.00 0.00 0.00 64.86 65.52 2fh0 h ILE 101 Cb 1.43 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2fh0 h ILE 101 CO 0.15 0.05 -0.81 0.00 0.00 0.00 0.00 178.15 177.55 2fh0 h ALA 102 N 1.23 0.63 -0.16 1.87 0.00 -1.41 -3.16 119.26 118.26 2fh0 h ALA 102 Ca 0.17 -0.69 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 2fh0 h ALA 102 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2fh0 h ALA 102 CO -0.17 0.90 -0.19 0.87 0.00 0.00 0.00 179.25 180.67 2fh0 h LYS 103 N 0.09 0.40 -0.23 0.00 1.79 -0.75 -3.12 116.57 114.75 2fh0 h LYS 103 Ca -0.03 -0.22 0.02 0.00 -2.18 0.00 0.00 60.65 58.24 2fh0 h LYS 103 Cb 1.41 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.06 2fh0 h LYS 103 CO 0.12 0.79 0.16 -0.56 -1.08 0.00 0.00 179.45 178.88 2fh0 h GLN 104 N 0.03 0.20 -4.54 3.15 3.07 -0.27 -3.34 115.11 113.40 2fh0 h GLN 104 Ca 0.02 -0.01 -0.73 0.00 0.09 0.00 0.00 58.65 58.02 2fh0 h GLN 104 Cb 0.73 -0.05 -0.21 0.00 0.08 0.00 0.00 27.48 28.04 2fh0 h GLN 104 CO 0.04 0.13 0.45 -1.14 0.09 0.00 0.00 178.83 178.41 2fh0 s GLN 105 N -5.23 3.51 0.00 0.06 0.74 -1.18 -4.36 119.66 113.20 2fh0 s GLN 105 Ca -0.06 -1.94 0.00 0.00 0.05 0.00 0.00 55.36 53.41 2fh0 s GLN 105 Cb 0.18 -4.63 0.00 0.00 1.10 0.00 0.00 33.01 29.65 2fh0 s GLN 105 CO 0.70 -1.56 0.00 0.09 -0.55 0.00 0.00 175.29 173.97 2fh0 n ASN 106 N 5.59 0.00 -3.13 6.67 3.02 -1.25 -4.90 115.26 121.25 2fh0 n ASN 106 Ca 0.15 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.55 2fh0 n ASN 106 Cb 0.47 0.20 0.07 0.00 -0.61 0.00 0.00 39.78 39.91 2fh0 n ASN 106 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2fh0 n SER 107 N -1.88 -3.59 -4.70 6.41 7.64 -1.26 -4.92 113.62 111.32 2fh0 n SER 107 Ca 0.00 -0.58 -0.42 0.00 1.01 0.00 0.00 58.87 58.88 2fh0 n SER 107 Cb 0.00 -4.66 -0.03 0.00 -1.01 0.00 0.00 64.21 58.51 2fh0 n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fh0 s GLN 108 N -4.85 4.20 0.21 1.43 -2.07 -1.26 -4.97 119.66 112.36 2fh0 s GLN 108 Ca 0.15 2.34 -0.30 0.00 -1.82 0.00 0.00 55.36 55.74 2fh0 s GLN 108 Cb -0.02 -3.42 -0.08 0.00 -1.09 0.00 0.00 33.01 28.39 2fh0 s GLN 108 CO 0.65 -0.68 1.08 -0.80 -1.32 0.00 0.00 175.29 174.22 2fh0 s ASN 109 N 1.91 7.31 -0.17 12.60 -0.87 -1.26 -4.99 114.94 129.48 2fh0 s ASN 109 Ca 0.72 2.12 -0.29 0.00 -1.57 0.00 0.00 52.86 53.84 2fh0 s ASN 109 Cb -0.41 -2.61 -0.02 0.00 -0.02 0.00 0.00 41.25 38.18 2fh0 s ASN 109 CO 0.32 -0.16 1.39 0.20 -2.57 0.00 0.00 177.10 176.28 2fh0 s ASN 110 N -0.42 6.79 0.11 -1.22 0.01 -1.26 -4.80 114.94 114.15 2fh0 s ASN 110 Ca 0.47 1.73 0.00 0.00 -0.71 0.00 0.00 52.86 54.35 2fh0 s ASN 110 Cb -0.30 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.83 2fh0 s ASN 110 CO 0.36 -0.89 0.00 -0.24 -1.51 0.00 0.00 177.10 174.82 2fh0 n SER 111 N 7.05 0.02 -0.54 -1.22 2.88 -1.26 -4.95 113.62 115.61 2fh0 n SER 111 Ca 0.15 0.19 0.07 0.00 -1.33 0.00 0.00 58.87 57.94 2fh0 n SER 111 Cb 0.45 0.12 0.15 0.00 -0.75 0.00 0.00 64.21 64.17 2fh0 n SER 111 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2fh0 n LYS 112 N -2.92 1.16 -1.24 -1.46 5.02 -1.26 -4.70 118.16 112.76 2fh0 n LYS 112 Ca 0.00 -2.73 0.01 0.00 -2.02 0.00 0.00 58.31 53.57 2fh0 n LYS 112 Cb 0.00 -1.29 0.12 0.00 -0.02 0.00 0.00 35.03 33.84 2fh0 n LYS 112 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2fh0 n ILE 113 N -0.93 1.54 -1.27 -0.18 5.41 -1.26 -4.75 119.36 117.92 2fh0 n ILE 113 Ca 0.15 -2.71 -0.00 0.00 1.00 0.00 0.00 62.75 61.18 2fh0 n ILE 113 Cb 0.73 0.12 0.22 0.00 -0.71 0.00 0.00 39.64 40.00 2fh0 n ILE 113 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2fh0 n ILE 114 N -0.55 2.48 -3.20 1.39 -0.00 -1.26 -4.75 119.36 113.47 2fh0 n ILE 114 Ca 0.18 -2.39 -0.26 0.00 -0.00 0.00 0.00 62.75 60.28 2fh0 n ILE 114 Cb 0.87 -0.30 -0.06 0.00 -0.00 0.00 0.00 39.64 40.15 2fh0 n ILE 114 CO 0.00 0.00 0.00 0.33 -0.00 0.00 0.00 176.55 176.88 2fh0 n PHE 115 N -0.91 3.25 -0.73 1.39 -0.00 -1.26 -5.16 117.46 114.03 2fh0 n PHE 115 Ca 0.30 -4.02 0.00 0.00 -0.00 0.00 0.00 57.45 53.73 2fh0 n PHE 115 Cb 1.01 -0.51 0.00 0.00 -0.00 0.00 0.00 39.48 39.99 2fh0 n PHE 115 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85