#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fh0 h GLU 37 N 0.00 0.26 -1.66 1.61 4.22 -2.08 -3.48 114.58 113.44 2fh0 h GLU 37 Ca 0.00 -0.44 -0.32 0.00 0.08 0.00 0.00 59.36 58.68 2fh0 h GLU 37 Cb 0.00 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 2fh0 h GLU 37 CO 0.00 1.13 -0.36 0.09 -2.18 0.00 0.00 179.01 177.68 2fh0 n ASN 38 N -3.44 -4.79 -2.70 1.04 3.02 -1.26 -4.88 115.26 102.25 2fh0 n ASN 38 Ca -0.26 0.14 -0.06 0.00 -0.03 0.00 0.00 54.58 54.37 2fh0 n ASN 38 Cb 1.05 -3.82 0.09 0.00 -0.61 0.00 0.00 39.78 36.49 2fh0 n ASN 38 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2fh0 n SER 39 N -0.83 -1.85 -3.39 6.41 7.64 -1.26 -5.12 113.62 115.22 2fh0 n SER 39 Ca -0.18 -2.69 -0.14 0.00 1.01 0.00 0.00 58.87 56.87 2fh0 n SER 39 Cb 0.59 1.45 -0.09 0.00 -1.01 0.00 0.00 64.21 65.15 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 0.22 -0.67 0.76 -0.43 0.00 -1.26 -5.15 121.76 115.23 2fh0 s ALA 40 Ca 0.23 0.12 -0.15 0.00 0.00 0.00 0.00 51.96 52.16 2fh0 s ALA 40 Cb 0.27 -1.73 -0.00 0.00 0.00 0.00 0.00 23.12 21.66 2fh0 s ALA 40 CO -0.14 -1.54 0.71 -2.30 0.00 0.00 0.00 175.76 172.50 2fh0 n PRO 41 N 5.33 0.27 -3.73 0.00 -0.02 -1.26 -5.02 135.00 130.56 2fh0 n PRO 41 Ca -0.03 0.14 -0.28 0.00 -2.02 0.00 0.00 63.50 61.32 2fh0 n PRO 41 Cb 0.48 -2.01 -0.16 0.00 -0.02 0.00 0.00 33.50 31.79 2fh0 n PRO 41 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2fh0 s VAL 42 N -1.97 0.55 0.00 -1.45 -7.23 -1.26 -4.83 120.40 104.21 2fh0 s VAL 42 Ca 0.67 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 2fh0 s VAL 42 Cb -0.32 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 35.53 2fh0 s VAL 42 CO 0.56 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.71 2fh0 n GLY 43 N 5.03 2.66 0.31 2.32 0.00 -1.26 -4.83 105.19 109.42 2fh0 n GLY 43 Ca -0.08 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 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 1.03 -0.41 4.61 0.00 -1.98 0.65 119.26 123.16 2fh0 h ALA 44 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 2fh0 h ALA 44 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2fh0 h ALA 44 CO 0.00 0.62 -0.11 0.00 0.00 0.00 0.00 179.25 179.77 2fh0 h ALA 45 N 1.17 1.04 0.00 0.00 0.00 -1.88 -3.14 119.26 116.46 2fh0 h ALA 45 Ca 0.19 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 2fh0 h ALA 45 Cb 0.40 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2fh0 h ALA 45 CO 0.01 0.58 -1.43 0.44 0.00 0.00 0.00 179.25 178.85 2fh0 n ILE 46 N -4.17 1.14 0.11 0.00 -5.35 -1.10 -4.09 119.36 105.90 2fh0 n ILE 46 Ca 0.01 -0.69 0.17 0.00 -0.27 0.00 0.00 62.75 61.98 2fh0 n ILE 46 Cb 0.35 -0.70 0.72 0.00 -1.74 0.00 0.00 39.64 38.28 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 1.45 2.18 0.00 -1.28 0.00 0.37 0.13 119.26 122.12 2fh0 h ALA 47 Ca -0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2fh0 h ALA 47 Cb 1.56 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 2fh0 h ALA 47 CO 0.04 -0.43 -0.15 -0.91 0.00 0.00 0.00 179.25 177.80 2fh0 h ASN 48 N 0.00 0.00 -0.78 0.00 4.21 -1.71 -3.10 115.58 114.20 2fh0 h ASN 48 Ca 0.15 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 57.20 2fh0 h ASN 48 Cb 0.67 0.00 -0.23 0.00 -1.12 0.00 0.00 38.32 37.64 2fh0 h ASN 48 CO -0.00 0.15 0.60 0.33 -1.29 0.00 0.00 177.43 177.22 2fh0 n PHE 49 N -3.25 2.46 -4.12 1.19 7.35 0.45 -4.90 117.46 116.62 2fh0 n PHE 49 Ca 0.01 -2.07 -0.15 0.00 -0.76 0.00 0.00 57.45 54.48 2fh0 n PHE 49 Cb 0.43 -1.02 -0.12 0.00 0.35 0.00 0.00 39.48 39.12 2fh0 n PHE 49 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2fh0 s LEU 50 N -2.77 2.24 0.18 -2.13 1.02 -1.17 -3.35 118.68 112.70 2fh0 s LEU 50 Ca 0.47 -0.53 0.06 0.00 0.02 0.00 0.00 54.13 54.15 2fh0 s LEU 50 Cb 0.38 -0.31 -0.04 0.00 0.02 0.00 0.00 46.19 46.25 2fh0 s LEU 50 CO 0.04 -0.13 0.09 -1.83 0.02 0.00 0.00 176.35 174.54 2fh0 s GLU 51 N -1.50 2.70 0.42 1.70 -1.05 -1.26 -5.00 118.70 114.71 2fh0 s GLU 51 Ca -0.06 -1.00 0.08 0.00 -0.15 0.00 0.00 54.97 53.84 2fh0 s GLU 51 Cb -0.09 -2.51 0.90 0.00 -0.44 0.00 0.00 34.13 31.99 2fh0 s GLU 51 CO 0.01 0.46 2.07 -1.00 0.95 0.00 0.00 175.26 177.75 2fh0 h PRO 52 N 2.37 0.48 -0.13 -4.83 0.13 -1.99 -0.36 132.00 127.67 2fh0 h PRO 52 Ca -0.47 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 2fh0 h PRO 52 Cb 1.21 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2fh0 h PRO 52 CO 0.61 0.32 -0.04 1.96 -0.23 0.00 0.00 178.00 180.61 2fh0 h GLN 53 N 0.50 0.26 -0.37 0.86 4.20 -2.00 -1.91 115.11 116.65 2fh0 h GLN 53 Ca 0.14 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 2fh0 h GLN 53 Cb -0.05 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2fh0 h GLN 53 CO -0.03 0.57 -0.14 0.00 -0.67 0.00 0.00 178.83 178.56 2fh0 h ALA 54 N 0.68 0.52 -0.81 3.87 0.00 -1.83 -2.93 119.26 118.77 2fh0 h ALA 54 Ca 0.03 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2fh0 h ALA 54 Cb 0.48 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2fh0 h ALA 54 CO 0.02 0.43 0.53 -0.07 0.00 0.00 0.00 179.25 180.15 2fh0 h LEU 55 N 0.55 0.91 -0.84 0.00 3.38 -1.09 -0.18 115.31 118.05 2fh0 h LEU 55 Ca 0.09 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2fh0 h LEU 55 Cb 0.68 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2fh0 h LEU 55 CO 0.05 0.65 0.54 -0.08 0.09 0.00 0.00 178.44 179.68 2fh0 h GLU 56 N 1.07 1.02 -0.30 1.13 4.57 -1.27 -1.44 114.58 119.36 2fh0 h GLU 56 Ca 0.31 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.31 2fh0 h GLU 56 Cb -0.08 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.27 2fh0 h GLU 56 CO -0.08 0.68 -0.24 -0.09 -1.18 0.00 0.00 179.01 178.09 2fh0 h ARG 57 N 1.05 0.70 -0.45 1.92 1.12 -1.21 -3.05 114.38 114.46 2fh0 h ARG 57 Ca 0.33 -0.35 0.02 0.00 -1.11 0.00 0.00 59.98 58.88 2fh0 h ARG 57 Cb -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 29.94 2fh0 h ARG 57 CO -0.11 0.96 0.30 1.25 -3.11 0.00 0.00 179.97 179.25 2fh0 h LEU 58 N 0.45 0.46 -0.57 3.80 5.85 -0.61 -1.90 115.31 122.77 2fh0 h LEU 58 Ca 0.05 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 2fh0 h LEU 58 Cb 0.80 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 2fh0 h LEU 58 CO 0.06 0.32 0.15 0.28 -0.34 0.00 0.00 178.44 178.91 2fh0 h SER 59 N 0.53 0.87 -0.28 1.25 0.02 -1.17 0.15 113.55 114.92 2fh0 h SER 59 Ca 0.18 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 2fh0 h SER 59 Cb 0.05 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2fh0 h SER 59 CO -0.04 0.87 0.02 -0.09 -1.14 0.00 0.00 176.83 176.45 2fh0 h ARG 60 N 0.82 0.49 -0.44 3.45 9.65 -1.31 -2.66 114.38 124.39 2fh0 h ARG 60 Ca 0.18 -0.15 -0.14 0.00 -1.10 0.00 0.00 59.98 58.78 2fh0 h ARG 60 Cb 0.34 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 2fh0 h ARG 60 CO 0.00 0.63 -0.26 -0.24 2.80 0.00 0.00 179.97 182.89 2fh0 h VAL 61 N 0.28 1.27 -0.35 0.20 3.04 -1.30 -3.00 116.25 116.39 2fh0 h VAL 61 Ca 0.08 -1.43 0.04 0.00 -1.01 0.00 0.00 66.70 64.38 2fh0 h VAL 61 Cb 0.40 1.24 -0.02 0.00 -2.01 0.00 0.00 31.29 30.90 2fh0 h VAL 61 CO 0.01 0.49 0.24 0.00 -1.01 0.00 0.00 177.57 177.29 2fh0 h ALA 62 N 0.83 1.92 -0.17 3.17 0.00 -0.66 0.65 119.26 124.99 2fh0 h ALA 62 Ca 0.09 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2fh0 h ALA 62 Cb 0.85 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2fh0 h ALA 62 CO 0.07 0.02 -0.33 -0.07 0.00 0.00 0.00 179.25 178.95 2fh0 h LEU 63 N 0.32 0.36 0.00 0.00 3.38 -1.33 -3.17 115.31 114.87 2fh0 h LEU 63 Ca 0.15 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2fh0 h LEU 63 Cb 0.18 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2fh0 h LEU 63 CO -0.03 0.67 -0.81 0.52 0.09 0.00 0.00 178.44 178.88 2fh0 n VAL 64 N -4.08 1.46 -3.95 1.22 0.31 -0.57 -4.84 118.33 107.89 2fh0 n VAL 64 Ca -0.01 0.16 -0.30 0.00 -0.01 0.00 0.00 64.34 64.17 2fh0 n VAL 64 Cb 0.44 -2.34 -0.14 0.00 -0.91 0.00 0.00 33.84 30.88 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 -2.53 1.88 0.43 5.55 3.00 0.22 -4.95 118.95 122.54 2fh0 s ARG 65 Ca -0.22 -2.50 0.09 0.00 0.00 0.00 0.00 55.73 53.10 2fh0 s ARG 65 Cb 0.03 -3.25 0.93 0.00 0.00 0.00 0.00 34.95 32.66 2fh0 s ARG 65 CO 0.33 -1.09 2.07 0.00 0.00 0.00 0.00 175.30 176.61 2fh0 h ARG 66 N 6.65 0.43 -0.58 3.54 3.08 -1.69 -2.41 114.38 123.41 2fh0 h ARG 66 Ca -0.07 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.02 2fh0 h ARG 66 Cb 0.91 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.80 2fh0 h ARG 66 CO 0.66 0.30 0.26 0.22 -1.07 0.00 0.00 179.97 180.33 2fh0 h ASP 67 N 0.45 0.32 -0.09 7.04 1.82 -1.92 0.30 116.42 124.34 2fh0 h ASP 67 Ca 0.12 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 2fh0 h ASP 67 Cb -0.03 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 2fh0 h ASP 67 CO -0.02 0.21 0.04 0.03 -1.61 0.00 0.00 179.24 177.89 2fh0 h ARG 68 N 0.48 0.10 -0.26 0.28 3.08 -1.79 -2.05 114.38 114.21 2fh0 h ARG 68 Ca 0.27 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.24 2fh0 h ARG 68 Cb 0.26 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2fh0 h ARG 68 CO -0.23 0.06 -0.15 0.00 -1.07 0.00 0.00 179.97 178.58 2fh0 h ALA 69 N 1.05 1.25 -0.74 0.04 0.00 -1.39 -2.66 119.26 116.80 2fh0 h ALA 69 Ca 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2fh0 h ALA 69 Cb 0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2fh0 h ALA 69 CO -0.03 0.49 0.38 0.37 0.00 0.00 0.00 179.25 180.47 2fh0 h GLN 70 N 0.42 1.04 -0.04 0.00 4.15 0.00 -2.15 115.11 118.54 2fh0 h GLN 70 Ca 0.08 -0.13 -0.16 0.00 0.77 0.00 0.00 58.65 59.20 2fh0 h GLN 70 Cb 0.52 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2fh0 h GLN 70 CO 0.03 0.78 -0.71 0.00 -1.93 0.00 0.00 178.83 177.01 2fh0 h ALA 71 N 1.37 0.73 -0.14 3.38 0.00 -1.11 -2.71 119.26 120.78 2fh0 h ALA 71 Ca 0.26 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2fh0 h ALA 71 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2fh0 h ALA 71 CO -0.04 0.80 0.04 0.28 0.00 0.00 0.00 179.25 180.33 2fh0 h VAL 72 N 0.15 1.18 -0.83 0.00 2.07 -1.10 0.25 116.25 117.97 2fh0 h VAL 72 Ca -0.02 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2fh0 h VAL 72 Cb 1.25 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 2fh0 h VAL 72 CO 0.11 0.17 0.38 1.05 0.02 0.00 0.00 177.57 179.30 2fh0 h GLU 73 N 0.03 1.21 -0.09 1.57 4.11 -1.44 -1.63 114.58 118.34 2fh0 h GLU 73 Ca 0.04 -0.19 -0.14 0.00 0.07 0.00 0.00 59.36 59.14 2fh0 h GLU 73 Cb 0.23 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2fh0 h GLU 73 CO -0.00 0.94 -0.57 1.15 0.07 0.00 0.00 179.01 180.59 2fh0 h THR 74 N 1.19 1.37 -0.21 -1.06 2.02 -1.32 -2.46 112.91 112.43 2fh0 h THR 74 Ca 0.28 -1.90 -0.04 0.00 0.77 0.00 0.00 66.41 65.53 2fh0 h THR 74 Cb 0.14 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 2fh0 h THR 74 CO -0.03 0.57 -0.01 0.22 0.37 0.00 0.00 175.52 176.63 2fh0 h TYR 75 N 0.23 0.41 -0.27 3.16 5.03 -0.07 -0.15 116.97 125.31 2fh0 h TYR 75 Ca -0.00 -0.08 -0.03 0.00 2.58 0.00 0.00 58.73 61.21 2fh0 h TYR 75 Cb 1.07 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 39.24 2fh0 h TYR 75 CO 0.03 0.58 0.07 1.25 -1.32 0.00 0.00 178.16 178.77 2fh0 h LEU 76 N 0.12 0.41 -0.92 2.82 5.85 -1.31 -0.88 115.31 121.41 2fh0 h LEU 76 Ca 0.06 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 2fh0 h LEU 76 Cb 0.42 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2fh0 h LEU 76 CO 0.01 0.53 -0.26 0.07 -0.34 0.00 0.00 178.44 178.45 2fh0 h LYS 77 N 0.28 0.48 -0.26 1.25 5.09 -1.46 -2.08 116.57 119.87 2fh0 h LYS 77 Ca 0.09 -0.18 -0.05 0.00 0.09 0.00 0.00 60.65 60.59 2fh0 h LYS 77 Cb 0.27 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 32.57 2fh0 h LYS 77 CO -0.00 0.70 -0.03 -0.22 -2.09 0.00 0.00 179.45 177.81 2fh0 h LYS 78 N 0.42 0.48 -0.26 0.07 3.64 -0.85 -1.28 116.57 118.78 2fh0 h LYS 78 Ca 0.06 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2fh0 h LYS 78 Cb 0.68 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2fh0 h LYS 78 CO 0.05 0.67 0.13 -0.07 -2.27 0.00 0.00 179.45 177.96 2fh0 h LEU 79 N 0.24 0.34 -1.14 5.20 4.07 -1.04 -1.19 115.31 121.78 2fh0 h LEU 79 Ca 0.07 -0.11 -0.06 0.00 0.08 0.00 0.00 57.88 57.86 2fh0 h LEU 79 Cb 0.48 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 2fh0 h LEU 79 CO 0.02 0.35 -0.03 0.40 -1.08 0.00 0.00 178.44 178.10 2fh0 h ILE 80 N 0.30 1.21 -0.00 1.22 2.04 -1.21 0.39 117.51 121.46 2fh0 h ILE 80 Ca 0.09 -0.88 -0.12 0.00 1.00 0.00 0.00 64.86 64.95 2fh0 h ILE 80 Cb 0.10 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2fh0 h ILE 80 CO -0.01 0.30 -0.57 0.00 0.00 0.00 0.00 178.15 177.87 2fh0 h ALA 81 N 1.44 1.05 0.00 1.87 0.00 -0.92 -3.36 119.26 119.34 2fh0 h ALA 81 Ca 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2fh0 h ALA 81 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2fh0 h ALA 81 CO 0.02 0.71 -0.16 1.15 0.00 0.00 0.00 179.25 180.97 2fh0 h THR 82 N 0.01 0.00 0.00 0.00 2.02 -0.83 -3.49 112.91 110.61 2fh0 h THR 82 Ca -0.01 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2fh0 h THR 82 Cb 1.01 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2fh0 h THR 82 CO 0.07 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 175.50 2fh0 n ASN 83 N -3.68 0.00 -4.55 4.18 0.23 -0.31 -5.08 115.26 106.05 2fh0 n ASN 83 Ca -0.02 0.00 -0.26 0.00 -0.53 0.00 0.00 54.58 53.77 2fh0 n ASN 83 Cb 0.08 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.72 2fh0 n ASN 83 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2fh0 n ASN 84 N -0.63 1.74 -2.71 0.53 3.02 -0.03 -4.70 115.26 112.48 2fh0 n ASN 84 Ca 0.00 -0.87 -0.06 0.00 -0.03 0.00 0.00 54.58 53.62 2fh0 n ASN 84 Cb 0.00 -1.51 0.04 0.00 -0.61 0.00 0.00 39.78 37.70 2fh0 n ASN 84 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2fh0 n VAL 85 N 8.15 1.06 -0.39 2.41 0.31 -1.26 -2.81 118.33 125.80 2fh0 n VAL 85 Ca 0.45 -3.00 0.03 0.00 -0.01 0.00 0.00 64.34 61.81 2fh0 n VAL 85 Cb 0.44 0.85 0.04 0.00 -0.91 0.00 0.00 33.84 34.26 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 -0.22 1.20 -3.64 2.52 -2.24 -1.26 -5.06 114.28 105.58 2fh0 n THR 86 Ca 0.08 -1.31 -0.02 0.00 -2.27 0.00 0.00 64.05 60.53 2fh0 n THR 86 Cb 0.81 0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.49 -0.10 0.00 4.78 -3.43 -1.26 -5.19 115.29 108.59 2fh0 s HIS 87 Ca 0.09 -0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.31 2fh0 s HIS 87 Cb 0.08 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.79 2fh0 s HIS 87 CO 0.01 -0.42 0.00 1.63 -2.00 0.00 0.00 174.74 173.96 2fh0 n LYS 88 N -0.39 2.60 0.21 -0.38 5.02 -1.26 -5.06 118.16 118.89 2fh0 n LYS 88 Ca -0.06 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.11 2fh0 n LYS 88 Cb 0.61 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.56 2fh0 n LYS 88 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2fh0 h ILE 89 N 0.26 0.00 -3.17 -0.18 1.08 -1.94 -3.48 117.51 110.08 2fh0 h ILE 89 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2fh0 h ILE 89 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 2fh0 h ILE 89 CO 0.00 0.00 -0.76 0.41 -0.69 0.00 0.00 178.15 177.11 2fh0 n THR 90 N -4.21 -4.70 -0.15 -0.27 -1.04 -1.26 -3.14 114.28 99.51 2fh0 n THR 90 Ca -0.08 2.06 0.09 0.00 -2.04 0.00 0.00 64.05 64.08 2fh0 n THR 90 Cb 0.29 -2.85 0.42 0.00 -1.82 0.00 0.00 70.33 66.37 2fh0 n THR 90 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2fh0 h GLU 91 N 1.73 0.59 -0.16 -2.82 -0.00 -1.93 0.14 114.58 112.13 2fh0 h GLU 91 Ca 0.00 -0.04 -0.07 0.00 -0.00 0.00 0.00 59.36 59.26 2fh0 h GLU 91 Cb 0.00 -0.13 -0.00 0.00 -0.00 0.00 0.00 28.75 28.62 2fh0 h GLU 91 CO 0.00 0.39 -0.17 0.00 -0.00 0.00 0.00 179.01 179.23 2fh0 h ALA 92 N 1.65 0.24 -0.27 1.06 0.00 -2.00 -2.80 119.26 117.14 2fh0 h ALA 92 Ca 0.31 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2fh0 h ALA 92 Cb 0.42 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2fh0 h ALA 92 CO -0.10 0.14 -0.54 0.93 0.00 0.00 0.00 179.25 179.68 2fh0 h GLU 93 N 0.04 0.80 -0.62 0.00 3.07 -1.51 -3.12 114.58 113.23 2fh0 h GLU 93 Ca 0.03 -0.50 -0.03 0.00 -0.50 0.00 0.00 59.36 58.35 2fh0 h GLU 93 Cb 0.70 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.64 2fh0 h GLU 93 CO 0.04 1.13 0.25 0.97 -1.40 0.00 0.00 179.01 180.00 2fh0 h ILE 94 N 0.61 1.22 -0.53 3.13 2.10 -0.68 -0.59 117.51 122.77 2fh0 h ILE 94 Ca 0.01 -0.68 -0.02 0.00 1.08 0.00 0.00 64.86 65.25 2fh0 h ILE 94 Cb 1.13 0.48 -0.02 0.00 -1.09 0.00 0.00 36.82 37.32 2fh0 h ILE 94 CO 0.12 0.27 0.23 0.58 -1.08 0.00 0.00 178.15 178.27 2fh0 h VAL 95 N 0.89 1.21 -0.29 2.19 2.07 -1.48 0.24 116.25 121.08 2fh0 h VAL 95 Ca 0.21 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 2fh0 h VAL 95 Cb 0.17 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2fh0 h VAL 95 CO -0.02 0.24 0.02 -1.28 0.02 0.00 0.00 177.57 176.55 2fh0 h SER 96 N 0.70 0.48 -0.34 0.57 0.87 -1.41 -0.89 113.55 113.54 2fh0 h SER 96 Ca 0.18 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 2fh0 h SER 96 Cb 0.16 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2fh0 h SER 96 CO -0.02 0.65 0.16 0.40 -0.53 0.00 0.00 176.83 177.49 2fh0 h ILE 97 N 0.30 1.17 -0.84 2.23 2.04 -0.93 -1.18 117.51 120.29 2fh0 h ILE 97 Ca 0.08 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.49 2fh0 h ILE 97 Cb 0.39 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 2fh0 h ILE 97 CO 0.01 0.17 0.54 -0.07 0.00 0.00 0.00 178.15 178.81 2fh0 h LEU 98 N 0.41 0.91 -0.78 1.44 3.38 -0.45 0.43 115.31 120.65 2fh0 h LEU 98 Ca 0.12 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2fh0 h LEU 98 Cb 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2fh0 h LEU 98 CO -0.01 0.63 0.23 0.78 0.09 0.00 0.00 178.44 180.15 2fh0 h ASN 99 N 1.07 1.07 0.04 -0.43 2.35 -0.83 -2.26 115.58 116.59 2fh0 h ASN 99 Ca 0.33 -0.20 -0.23 0.00 -0.55 0.00 0.00 56.30 55.65 2fh0 h ASN 99 Cb -0.01 -0.28 0.01 0.00 0.05 0.00 0.00 38.32 38.09 2fh0 h ASN 99 CO -0.11 1.00 -0.87 1.23 -1.65 0.00 0.00 177.43 177.02 2fh0 h GLY 100 N 1.11 0.72 0.47 2.83 0.00 -0.57 -3.03 103.07 104.60 2fh0 h GLY 100 Ca 0.24 -1.11 0.06 0.00 0.00 0.00 0.00 47.33 46.51 2fh0 h GLY 100 CO -0.01 0.99 -0.03 -2.22 0.00 0.00 0.00 176.54 175.28 2fh0 h ILE 101 N 0.41 0.75 -0.66 2.60 2.04 0.02 -1.29 117.51 121.38 2fh0 h ILE 101 Ca -0.08 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2fh0 h ILE 101 Cb 1.50 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 2fh0 h ILE 101 CO 0.17 0.01 0.39 0.00 0.00 0.00 0.00 178.15 178.72 2fh0 h ALA 102 N 1.28 1.44 -0.59 1.87 0.00 -1.46 -2.14 119.26 119.67 2fh0 h ALA 102 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2fh0 h ALA 102 Cb 0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2fh0 h ALA 102 CO -0.27 0.48 0.33 -0.22 0.00 0.00 0.00 179.25 179.57 2fh0 h LYS 103 N 0.91 0.80 0.38 0.00 3.64 -1.13 -3.05 116.57 118.12 2fh0 h LYS 103 Ca 0.24 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2fh0 h LYS 103 Cb -0.02 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 2fh0 h LYS 103 CO -0.04 0.58 -0.18 1.96 -2.27 0.00 0.00 179.45 179.49 2fh0 h GLN 104 N 0.81 -0.49 -4.65 1.90 1.08 -0.72 -3.47 115.11 109.57 2fh0 h GLN 104 Ca 0.21 0.03 -0.40 0.00 -1.45 0.00 0.00 58.65 57.04 2fh0 h GLN 104 Cb -0.00 0.11 0.03 0.00 -0.05 0.00 0.00 27.48 27.57 2fh0 h GLN 104 CO -0.04 -0.20 -0.59 0.94 -0.95 0.00 0.00 178.83 177.99 2fh0 n GLN 105 N -5.21 -4.52 -3.68 1.46 7.27 -1.15 -4.98 117.38 106.58 2fh0 n GLN 105 Ca -0.10 0.82 -0.13 0.00 0.07 0.00 0.00 57.00 57.66 2fh0 n GLN 105 Cb 0.27 -5.65 -0.13 0.00 2.41 0.00 0.00 30.24 27.14 2fh0 n GLN 105 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2fh0 s ASN 106 N -2.69 0.17 -0.15 1.69 3.84 -1.26 -5.15 114.94 111.39 2fh0 s ASN 106 Ca 0.31 0.58 -0.13 0.00 0.21 0.00 0.00 52.86 53.83 2fh0 s ASN 106 Cb -0.15 0.61 0.04 0.00 -0.55 0.00 0.00 41.25 41.20 2fh0 s ASN 106 CO 0.39 -0.22 0.39 -0.44 -2.79 0.00 0.00 177.10 174.43 2fh0 s SER 107 N 2.07 -0.40 -0.25 -4.21 0.01 -1.26 -5.14 113.70 104.52 2fh0 s SER 107 Ca -0.02 0.78 -0.02 0.00 1.31 0.00 0.00 55.95 58.00 2fh0 s SER 107 Cb -0.11 0.79 0.12 0.00 0.21 0.00 0.00 66.02 67.03 2fh0 s SER 107 CO -0.09 -0.14 0.29 -1.58 0.41 0.00 0.00 173.24 172.14 2fh0 s GLN 108 N 0.22 0.28 -0.86 12.44 0.74 -1.26 -5.10 119.66 126.13 2fh0 s GLN 108 Ca -0.00 0.15 -0.16 0.00 0.05 0.00 0.00 55.36 55.40 2fh0 s GLN 108 Cb -0.03 -0.81 0.18 0.00 1.10 0.00 0.00 33.01 33.45 2fh0 s GLN 108 CO 0.00 -0.80 0.90 -0.80 -0.55 0.00 0.00 175.29 174.05 2fh0 s ASN 109 N 2.40 6.70 0.00 6.67 0.01 -1.26 -4.82 114.94 124.64 2fh0 s ASN 109 Ca 0.09 -2.43 0.00 0.00 -0.71 0.00 0.00 52.86 49.81 2fh0 s ASN 109 Cb -0.15 -2.28 0.00 0.00 0.41 0.00 0.00 41.25 39.23 2fh0 s ASN 109 CO -0.21 -0.77 0.00 0.59 -1.51 0.00 0.00 177.10 175.20 2fh0 n ASN 110 N 4.98 0.00 0.00 -1.22 4.13 -1.26 -4.81 115.26 117.09 2fh0 n ASN 110 Ca 0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.43 2fh0 n ASN 110 Cb 0.48 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.72 2fh0 n ASN 110 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2fh0 n SER 111 N 1.70 0.00 0.00 6.41 2.88 -1.26 -3.79 113.62 119.56 2fh0 n SER 111 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 2fh0 n SER 111 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 2fh0 n SER 111 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2fh0 h LYS 112 N 0.00 0.17 0.00 -1.46 6.56 -2.01 -3.34 116.57 116.49 2fh0 h LYS 112 Ca 0.00 -0.29 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 2fh0 h LYS 112 Cb 0.00 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 2fh0 h LYS 112 CO 0.00 0.94 0.00 -0.89 -2.06 0.00 0.00 179.45 177.44 2fh0 n ILE 113 N -3.32 0.36 0.07 1.86 2.08 -1.25 -3.45 119.36 115.71 2fh0 n ILE 113 Ca -0.24 0.09 0.17 0.00 0.56 0.00 0.00 62.75 63.33 2fh0 n ILE 113 Cb 1.05 -0.71 0.68 0.00 -0.75 0.00 0.00 39.64 39.90 2fh0 n ILE 113 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2fh0 h ILE 114 N 0.00 0.81 0.78 1.39 1.08 -1.85 -2.69 117.51 117.02 2fh0 h ILE 114 Ca 0.00 -0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.43 2fh0 h ILE 114 Cb 0.28 0.80 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 2fh0 h ILE 114 CO 0.00 0.00 -0.44 -0.26 -0.69 0.00 0.00 178.15 176.76 2fh0 h PHE 115 N 0.00 -1.17 0.00 1.37 -1.00 -1.84 -3.51 116.94 110.80 2fh0 h PHE 115 Ca 0.18 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.95 2fh0 h PHE 115 Cb 0.74 0.41 0.00 0.00 3.61 0.00 0.00 35.95 40.71 2fh0 h PHE 115 CO -0.00 -0.68 0.00 -0.85 -1.61 0.00 0.00 178.31 175.17