#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 -1.44 -0.88 1.61 0.28 -1.26 -4.70 120.64 114.24 2fh0 n GLU 37 Ca 0.00 1.32 0.12 0.00 -0.16 0.00 0.00 57.16 58.44 2fh0 n GLU 37 Cb 0.00 -2.12 -0.03 0.00 1.43 0.00 0.00 31.44 30.72 2fh0 n GLU 37 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2fh0 n ASN 38 N 0.41 -6.01 -4.30 -1.84 4.13 -1.26 -4.94 115.26 101.44 2fh0 n ASN 38 Ca -0.03 0.95 -0.24 0.00 1.68 0.00 0.00 54.58 56.93 2fh0 n ASN 38 Cb 0.56 -2.66 -0.12 0.00 -1.54 0.00 0.00 39.78 36.02 2fh0 n ASN 38 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2fh0 s SER 39 N -5.50 2.63 -0.22 6.41 0.01 -1.26 -4.95 113.70 110.83 2fh0 s SER 39 Ca 0.00 -0.71 -0.01 0.00 1.31 0.00 0.00 55.95 56.54 2fh0 s SER 39 Cb 0.00 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2fh0 s SER 39 CO 0.00 0.07 0.02 0.00 0.41 0.00 0.00 173.24 173.74 2fh0 n ALA 40 N 1.01 -3.38 -1.13 1.44 0.00 -1.26 -4.96 120.51 112.23 2fh0 n ALA 40 Ca -0.19 0.52 -0.35 0.00 0.00 0.00 0.00 53.44 53.42 2fh0 n ALA 40 Cb 0.54 -1.03 0.09 0.00 0.00 0.00 0.00 19.45 19.05 2fh0 n ALA 40 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2fh0 n PRO 41 N 0.59 0.15 0.00 0.00 -0.02 -1.26 -4.89 135.00 129.57 2fh0 n PRO 41 Ca -0.03 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2fh0 n PRO 41 Cb 0.05 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2fh0 n PRO 41 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2fh0 n VAL 42 N -2.80 0.00 -0.08 -1.45 3.14 -1.26 -4.96 118.33 110.92 2fh0 n VAL 42 Ca 0.10 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.34 2fh0 n VAL 42 Cb 0.51 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.27 2fh0 n VAL 42 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2fh0 h GLY 43 N 0.00 0.93 1.34 7.55 0.00 -1.99 -2.95 103.07 107.95 2fh0 h GLY 43 Ca 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 47.33 46.20 2fh0 h GLY 43 CO 0.00 0.93 -0.11 0.00 0.00 0.00 0.00 176.54 177.36 2fh0 h ALA 44 N 0.76 0.99 -0.41 3.60 0.00 -1.99 0.81 119.26 123.01 2fh0 h ALA 44 Ca 0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2fh0 h ALA 44 Cb 1.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2fh0 h ALA 44 CO 0.11 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.97 2fh0 h ALA 45 N 1.16 1.23 0.00 0.00 0.00 -1.92 -2.83 119.26 116.90 2fh0 h ALA 45 Ca 0.12 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2fh0 h ALA 45 Cb 0.59 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2fh0 h ALA 45 CO 0.04 0.51 -0.93 -0.84 0.00 0.00 0.00 179.25 178.03 2fh0 h ILE 46 N 0.63 0.38 -0.76 0.00 3.07 -1.33 -3.33 117.51 116.16 2fh0 h ILE 46 Ca 0.13 -1.64 0.11 0.00 1.55 0.00 0.00 64.86 65.01 2fh0 h ILE 46 Cb 0.39 1.96 -0.05 0.00 -0.27 0.00 0.00 36.82 38.85 2fh0 h ILE 46 CO 0.01 0.21 0.50 0.00 -1.05 0.00 0.00 178.15 177.83 2fh0 h ALA 47 N 1.67 1.87 0.00 0.16 0.00 -0.58 -0.12 119.26 122.27 2fh0 h ALA 47 Ca -0.06 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 2fh0 h ALA 47 Cb 1.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2fh0 h ALA 47 CO 0.03 -0.05 -1.11 -0.91 0.00 0.00 0.00 179.25 177.21 2fh0 h ASN 48 N 0.61 0.00 -0.06 0.00 2.35 -1.69 -3.29 115.58 113.51 2fh0 h ASN 48 Ca 0.36 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.01 2fh0 h ASN 48 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 2fh0 h ASN 48 CO -0.13 0.90 -0.25 -0.26 -1.65 0.00 0.00 177.43 176.04 2fh0 h PHE 49 N 0.00 0.54 -4.19 1.19 -1.00 -1.24 -3.44 116.94 108.80 2fh0 h PHE 49 Ca -0.08 -0.12 -0.48 0.00 2.81 0.00 0.00 57.97 60.11 2fh0 h PHE 49 Cb 1.76 -0.13 0.08 0.00 3.61 0.00 0.00 35.95 41.26 2fh0 h PHE 49 CO 0.00 0.70 0.33 -0.51 -1.61 0.00 0.00 178.31 177.22 2fh0 s LEU 50 N -8.67 2.91 0.13 1.54 1.02 -0.21 -3.96 118.68 111.44 2fh0 s LEU 50 Ca -0.07 0.87 0.04 0.00 0.02 0.00 0.00 54.13 55.00 2fh0 s LEU 50 Cb 0.14 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.70 2fh0 s LEU 50 CO 0.79 -1.40 0.13 -1.61 0.02 0.00 0.00 176.35 174.28 2fh0 s GLU 51 N -5.29 2.94 0.30 1.70 0.41 -1.14 -4.96 118.70 112.66 2fh0 s GLU 51 Ca 0.58 -0.78 0.04 0.00 -0.41 0.00 0.00 54.97 54.40 2fh0 s GLU 51 Cb -0.11 -2.70 0.66 0.00 -1.78 0.00 0.00 34.13 30.20 2fh0 s GLU 51 CO 0.49 0.52 1.82 -1.35 -0.49 0.00 0.00 175.26 176.25 2fh0 h PRO 52 N 2.69 0.85 -0.26 0.39 0.11 -1.93 -0.11 132.00 133.74 2fh0 h PRO 52 Ca -0.47 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 2fh0 h PRO 52 Cb 1.19 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2fh0 h PRO 52 CO 0.65 0.56 -0.09 1.96 -0.21 0.00 0.00 178.00 180.87 2fh0 h GLN 53 N 0.88 0.53 -0.56 1.05 1.08 -1.97 -2.99 115.11 113.13 2fh0 h GLN 53 Ca 0.51 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 57.47 2fh0 h GLN 53 Cb 0.66 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.04 2fh0 h GLN 53 CO -0.29 0.76 0.21 0.00 -0.95 0.00 0.00 178.83 178.56 2fh0 h ALA 54 N 0.76 1.33 -0.81 3.87 0.00 -1.63 -2.63 119.26 120.15 2fh0 h ALA 54 Ca 0.06 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2fh0 h ALA 54 Cb 0.58 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2fh0 h ALA 54 CO 0.03 0.50 0.53 -0.07 0.00 0.00 0.00 179.25 180.24 2fh0 h LEU 55 N 0.80 0.90 -0.21 0.00 4.07 -0.95 0.28 115.31 120.20 2fh0 h LEU 55 Ca 0.19 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.13 2fh0 h LEU 55 Cb 0.17 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 2fh0 h LEU 55 CO -0.02 0.64 0.10 -0.33 -1.08 0.00 0.00 178.44 177.76 2fh0 h GLU 56 N 1.06 0.30 -0.27 1.13 5.08 -1.33 0.55 114.58 121.09 2fh0 h GLU 56 Ca 0.31 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 2fh0 h GLU 56 Cb -0.07 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2fh0 h GLU 56 CO -0.09 0.31 0.11 -0.09 -1.00 0.00 0.00 179.01 178.25 2fh0 h ARG 57 N 0.21 0.41 -0.64 2.33 1.12 -1.30 -1.87 114.38 114.64 2fh0 h ARG 57 Ca 0.07 -0.07 -0.02 0.00 -1.11 0.00 0.00 59.98 58.84 2fh0 h ARG 57 Cb 0.11 -0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 29.97 2fh0 h ARG 57 CO -0.01 0.44 0.31 1.25 -3.11 0.00 0.00 179.97 178.85 2fh0 h LEU 58 N 0.29 0.82 -0.81 3.80 5.85 -0.84 -2.01 115.31 122.41 2fh0 h LEU 58 Ca 0.09 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 2fh0 h LEU 58 Cb 0.18 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2fh0 h LEU 58 CO -0.01 0.69 0.02 0.28 -0.34 0.00 0.00 178.44 179.09 2fh0 h SER 59 N 0.90 0.88 -0.30 1.25 0.02 -0.62 -0.32 113.55 115.36 2fh0 h SER 59 Ca 0.22 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2fh0 h SER 59 Cb 0.09 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2fh0 h SER 59 CO -0.03 0.93 0.03 -0.09 -1.14 0.00 0.00 176.83 176.54 2fh0 h ARG 60 N 0.85 0.50 -0.46 3.45 9.65 -0.76 -2.72 114.38 124.90 2fh0 h ARG 60 Ca 0.16 -0.14 -0.13 0.00 -1.10 0.00 0.00 59.98 58.77 2fh0 h ARG 60 Cb 0.47 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 2fh0 h ARG 60 CO 0.02 0.62 -0.22 -0.24 2.80 0.00 0.00 179.97 182.95 2fh0 h VAL 61 N 0.31 1.27 -0.20 0.20 3.04 -1.27 -2.94 116.25 116.67 2fh0 h VAL 61 Ca 0.09 -1.38 0.06 0.00 -1.01 0.00 0.00 66.70 64.46 2fh0 h VAL 61 Cb 0.37 1.18 -0.01 0.00 -2.01 0.00 0.00 31.29 30.82 2fh0 h VAL 61 CO 0.01 0.47 0.14 0.00 -1.01 0.00 0.00 177.57 177.19 2fh0 h ALA 62 N 0.85 2.18 -0.58 3.17 0.00 -0.99 0.27 119.26 124.15 2fh0 h ALA 62 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2fh0 h ALA 62 Cb 0.80 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2fh0 h ALA 62 CO 0.07 -0.24 0.12 -0.07 0.00 0.00 0.00 179.25 179.12 2fh0 h LEU 63 N 0.00 0.87 0.00 0.00 3.38 -1.29 -3.08 115.31 115.19 2fh0 h LEU 63 Ca 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2fh0 h LEU 63 Cb 0.38 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2fh0 h LEU 63 CO -0.00 0.86 -0.53 0.52 0.09 0.00 0.00 178.44 179.38 2fh0 n VAL 64 N -4.25 1.24 -3.91 1.22 0.31 -0.60 -4.82 118.33 107.52 2fh0 n VAL 64 Ca 0.04 0.24 -0.31 0.00 -0.01 0.00 0.00 64.34 64.30 2fh0 n VAL 64 Cb 0.25 -2.26 -0.13 0.00 -0.91 0.00 0.00 33.84 30.79 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 -2.20 2.06 0.46 5.55 3.00 0.85 -4.94 118.95 123.74 2fh0 s ARG 65 Ca -0.15 -2.57 0.12 0.00 0.00 0.00 0.00 55.73 53.12 2fh0 s ARG 65 Cb 0.02 -3.39 1.06 0.00 0.00 0.00 0.00 34.95 32.64 2fh0 s ARG 65 CO 0.23 -1.11 2.10 -0.09 0.00 0.00 0.00 175.30 176.43 2fh0 h ARG 66 N 6.65 0.28 -0.52 3.54 2.43 -1.69 -2.54 114.38 122.53 2fh0 h ARG 66 Ca -0.07 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.15 2fh0 h ARG 66 Cb 0.91 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.34 2fh0 h ARG 66 CO 0.69 0.18 0.21 0.22 -1.51 0.00 0.00 179.97 179.76 2fh0 h ASP 67 N 0.28 0.25 -0.09 -3.80 1.82 -1.92 0.43 116.42 113.39 2fh0 h ASP 67 Ca 0.08 0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.77 2fh0 h ASP 67 Cb -0.01 0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.01 2fh0 h ASP 67 CO -0.02 0.17 0.05 0.03 -1.61 0.00 0.00 179.24 177.86 2fh0 h ARG 68 N 0.41 0.12 -0.49 0.28 3.08 -1.82 -1.89 114.38 114.07 2fh0 h ARG 68 Ca 0.25 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.22 2fh0 h ARG 68 Cb 0.24 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2fh0 h ARG 68 CO -0.23 0.17 0.05 0.00 -1.07 0.00 0.00 179.97 178.88 2fh0 h ALA 69 N 0.95 1.16 -0.79 0.04 0.00 -1.42 -2.73 119.26 116.48 2fh0 h ALA 69 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2fh0 h ALA 69 Cb 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2fh0 h ALA 69 CO -0.00 0.55 0.51 0.37 0.00 0.00 0.00 179.25 180.67 2fh0 h GLN 70 N 0.75 1.04 -0.41 0.00 4.15 0.11 -1.63 115.11 119.12 2fh0 h GLN 70 Ca 0.15 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.45 2fh0 h GLN 70 Cb 0.39 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 2fh0 h GLN 70 CO 0.01 0.71 0.04 0.00 -1.93 0.00 0.00 178.83 177.65 2fh0 h ALA 71 N 1.28 1.30 -0.13 3.38 0.00 -1.06 0.14 119.26 124.17 2fh0 h ALA 71 Ca 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2fh0 h ALA 71 Cb -0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2fh0 h ALA 71 CO -0.06 0.48 0.02 0.28 0.00 0.00 0.00 179.25 179.97 2fh0 h VAL 72 N 0.61 1.22 -0.60 0.00 2.07 -1.08 0.38 116.25 118.84 2fh0 h VAL 72 Ca 0.13 -0.69 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 2fh0 h VAL 72 Cb 0.33 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2fh0 h VAL 72 CO 0.01 0.20 0.01 -0.33 0.02 0.00 0.00 177.57 177.48 2fh0 h GLU 73 N -0.01 1.05 -0.09 1.57 5.08 -1.10 -2.45 114.58 118.63 2fh0 h GLU 73 Ca 0.04 -0.33 -0.13 0.00 -1.00 0.00 0.00 59.36 57.94 2fh0 h GLU 73 Cb 0.29 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2fh0 h GLU 73 CO 0.00 1.03 -0.51 1.15 -1.00 0.00 0.00 179.01 179.68 2fh0 h THR 74 N 0.95 1.35 -0.25 1.13 2.02 -0.62 -2.66 112.91 114.83 2fh0 h THR 74 Ca 0.17 -1.77 -0.04 0.00 0.77 0.00 0.00 66.41 65.54 2fh0 h THR 74 Cb 0.55 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 2fh0 h THR 74 CO 0.03 0.53 -0.01 0.22 0.37 0.00 0.00 175.52 176.66 2fh0 h TYR 75 N 0.19 0.48 -0.30 3.16 5.03 -0.04 -1.72 116.97 123.78 2fh0 h TYR 75 Ca 0.01 -0.09 -0.02 0.00 2.58 0.00 0.00 58.73 61.21 2fh0 h TYR 75 Cb 0.97 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 39.12 2fh0 h TYR 75 CO 0.02 0.62 0.10 1.25 -1.32 0.00 0.00 178.16 178.82 2fh0 h LEU 76 N 0.21 0.42 -1.38 2.82 5.85 -1.43 -2.63 115.31 119.18 2fh0 h LEU 76 Ca 0.07 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2fh0 h LEU 76 Cb 0.43 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2fh0 h LEU 76 CO 0.01 0.51 0.06 0.07 -0.34 0.00 0.00 178.44 178.75 2fh0 h LYS 77 N 0.32 0.48 -0.50 1.25 2.10 -1.47 -2.46 116.57 116.29 2fh0 h LYS 77 Ca 0.10 -0.08 -0.03 0.00 -2.00 0.00 0.00 60.65 58.64 2fh0 h LYS 77 Cb 0.23 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.46 2fh0 h LYS 77 CO -0.00 0.46 0.19 -0.22 -2.00 0.00 0.00 179.45 177.88 2fh0 h LYS 78 N 0.47 0.75 -0.57 0.07 1.63 -1.05 0.34 116.57 118.21 2fh0 h LYS 78 Ca 0.11 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 2fh0 h LYS 78 Cb 0.21 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 2fh0 h LYS 78 CO -0.00 0.67 0.23 -0.07 -3.45 0.00 0.00 179.45 176.84 2fh0 h LEU 79 N 0.67 0.78 -0.44 5.20 4.07 -1.11 -0.14 115.31 124.34 2fh0 h LEU 79 Ca 0.17 -0.16 -0.09 0.00 0.08 0.00 0.00 57.88 57.88 2fh0 h LEU 79 Cb 0.21 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2fh0 h LEU 79 CO -0.01 0.73 -0.06 0.40 -1.08 0.00 0.00 178.44 178.41 2fh0 h ILE 80 N 0.78 1.27 -0.07 1.22 2.04 -1.26 -0.86 117.51 120.62 2fh0 h ILE 80 Ca 0.19 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 2fh0 h ILE 80 Cb 0.19 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2fh0 h ILE 80 CO -0.02 0.39 -0.33 0.00 0.00 0.00 0.00 178.15 178.19 2fh0 h ALA 81 N 0.88 1.30 -1.22 1.87 0.00 -0.75 -3.35 119.26 117.99 2fh0 h ALA 81 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2fh0 h ALA 81 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2fh0 h ALA 81 CO 0.03 0.49 0.00 0.25 0.00 0.00 0.00 179.25 180.02 2fh0 n THR 82 N -4.11 0.00 0.00 0.00 -2.24 -0.08 -5.02 114.28 102.83 2fh0 n THR 82 Ca -0.01 0.36 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 2fh0 n THR 82 Cb 0.40 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 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 -1.39 0.00 -4.55 3.42 6.94 -0.64 -5.08 115.26 113.96 2fh0 n ASN 83 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 54.58 54.24 2fh0 n ASN 83 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 2fh0 n ASN 83 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 2fh0 s ASN 84 N -0.77 4.52 -0.17 0.53 0.01 -0.42 -4.74 114.94 113.90 2fh0 s ASN 84 Ca 0.00 0.65 0.14 0.00 -0.71 0.00 0.00 52.86 52.95 2fh0 s ASN 84 Cb 0.00 -2.52 0.43 0.00 0.41 0.00 0.00 41.25 39.57 2fh0 s ASN 84 CO 0.00 -2.97 1.20 0.52 -1.51 0.00 0.00 177.10 174.34 2fh0 n VAL 85 N 7.99 1.71 -1.78 1.60 0.31 -1.26 -3.23 118.33 123.66 2fh0 n VAL 85 Ca 0.36 -2.83 0.06 0.00 -0.01 0.00 0.00 64.34 61.91 2fh0 n VAL 85 Cb 0.52 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.60 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 -0.69 1.57 -3.96 2.52 -2.24 -1.26 -5.04 114.28 105.18 2fh0 n THR 86 Ca 0.18 -2.51 -0.11 0.00 -2.27 0.00 0.00 64.05 59.34 2fh0 n THR 86 Cb 0.83 0.08 -0.13 0.00 -2.10 0.00 0.00 70.33 69.02 2fh0 n THR 86 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2fh0 s HIS 87 N -2.31 0.22 0.16 4.78 5.04 -1.26 -5.17 115.29 116.74 2fh0 s HIS 87 Ca 0.35 -0.27 0.07 0.00 -1.54 0.00 0.00 55.06 53.67 2fh0 s HIS 87 Cb 0.35 -0.15 -0.04 0.00 0.04 0.00 0.00 32.58 32.79 2fh0 s HIS 87 CO -0.08 -0.08 -0.15 0.15 -2.34 0.00 0.00 174.74 172.24 2fh0 s LYS 88 N -0.74 1.17 -0.21 2.88 3.01 -1.26 -5.07 119.74 119.52 2fh0 s LYS 88 Ca -0.07 -1.40 -0.08 0.00 -1.01 0.00 0.00 55.97 53.41 2fh0 s LYS 88 Cb -0.05 -1.03 -0.04 0.00 -1.01 0.00 0.00 37.83 35.70 2fh0 s LYS 88 CO -0.00 0.19 0.08 0.42 0.51 0.00 0.00 175.35 176.54 2fh0 s ILE 89 N -2.48 4.72 0.51 2.17 1.01 -1.25 -4.97 121.20 120.90 2fh0 s ILE 89 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.75 2fh0 s ILE 89 Cb -0.03 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.28 2fh0 s ILE 89 CO 0.05 0.40 0.00 0.35 0.00 0.00 0.00 174.94 175.74 2fh0 n THR 90 N 4.10 0.00 -0.36 2.92 -2.24 -1.26 -2.90 114.28 114.54 2fh0 n THR 90 Ca -0.16 -2.39 0.05 0.00 -2.27 0.00 0.00 64.05 59.28 2fh0 n THR 90 Cb 0.52 0.47 0.21 0.00 -2.10 0.00 0.00 70.33 69.43 2fh0 n THR 90 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2fh0 h GLU 91 N 0.00 1.04 -0.27 -0.78 5.08 -1.90 0.56 114.58 118.31 2fh0 h GLU 91 Ca -0.42 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 57.75 2fh0 h GLU 91 Cb 1.27 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2fh0 h GLU 91 CO 0.70 0.69 -0.31 0.00 -1.00 0.00 0.00 179.01 179.08 2fh0 h ALA 92 N 1.50 0.40 -0.34 3.43 0.00 -1.99 -2.84 119.26 119.42 2fh0 h ALA 92 Ca 0.47 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2fh0 h ALA 92 Cb 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2fh0 h ALA 92 CO -0.23 0.43 -0.46 1.49 0.00 0.00 0.00 179.25 180.49 2fh0 h GLU 93 N 0.41 0.92 -0.66 0.00 4.22 -1.74 -2.93 114.58 114.80 2fh0 h GLU 93 Ca 0.04 -0.53 -0.03 0.00 0.08 0.00 0.00 59.36 58.91 2fh0 h GLU 93 Cb 0.89 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 2fh0 h GLU 93 CO 0.08 1.18 0.27 0.97 -2.18 0.00 0.00 179.01 179.32 2fh0 h ILE 94 N 0.72 1.23 -0.47 2.32 -0.00 0.05 -0.23 117.51 121.13 2fh0 h ILE 94 Ca 0.04 -0.70 -0.06 0.00 -0.00 0.00 0.00 64.86 64.14 2fh0 h ILE 94 Cb 1.07 0.43 -0.02 0.00 -0.00 0.00 0.00 36.82 38.30 2fh0 h ILE 94 CO 0.11 0.28 0.04 0.58 -0.00 0.00 0.00 178.15 179.16 2fh0 h VAL 95 N 0.94 1.25 -0.27 2.19 2.07 -1.48 0.44 116.25 121.40 2fh0 h VAL 95 Ca 0.22 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 2fh0 h VAL 95 Cb 0.17 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2fh0 h VAL 95 CO -0.02 0.34 0.02 0.28 0.02 0.00 0.00 177.57 178.21 2fh0 h SER 96 N 0.66 0.46 -0.37 0.57 0.02 -1.28 0.19 113.55 113.78 2fh0 h SER 96 Ca 0.14 -0.29 -0.10 0.00 -0.84 0.00 0.00 61.79 60.70 2fh0 h SER 96 Cb 0.44 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2fh0 h SER 96 CO 0.02 0.64 -0.15 0.40 -1.14 0.00 0.00 176.83 176.60 2fh0 h ILE 97 N 0.26 1.28 -0.62 3.27 2.04 -0.98 -1.95 117.51 120.82 2fh0 h ILE 97 Ca 0.08 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.66 2fh0 h ILE 97 Cb 0.39 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2fh0 h ILE 97 CO 0.01 0.42 0.29 0.25 0.00 0.00 0.00 178.15 179.12 2fh0 h LEU 98 N 0.55 0.82 -1.15 1.44 5.85 -0.05 0.34 115.31 123.11 2fh0 h LEU 98 Ca 0.09 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2fh0 h LEU 98 Cb 0.68 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2fh0 h LEU 98 CO 0.05 0.73 0.07 0.78 -0.34 0.00 0.00 178.44 179.73 2fh0 h ASN 99 N 0.85 0.63 0.07 1.25 2.35 -0.53 -2.62 115.58 117.58 2fh0 h ASN 99 Ca 0.21 -0.11 -0.22 0.00 -0.55 0.00 0.00 56.30 55.64 2fh0 h ASN 99 Cb 0.13 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.34 2fh0 h ASN 99 CO -0.03 0.65 -0.82 1.23 -1.65 0.00 0.00 177.43 176.81 2fh0 h GLY 100 N 0.89 0.66 0.51 2.83 0.00 -0.93 -3.13 103.07 103.90 2fh0 h GLY 100 Ca 0.14 -0.99 0.11 0.00 0.00 0.00 0.00 47.33 46.59 2fh0 h GLY 100 CO 0.00 0.88 0.57 -2.22 0.00 0.00 0.00 176.54 175.77 2fh0 h ILE 101 N 0.39 0.92 -0.64 2.60 2.04 -0.59 -0.94 117.51 121.30 2fh0 h ILE 101 Ca -0.06 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 2fh0 h ILE 101 Cb 1.43 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 2fh0 h ILE 101 CO 0.15 0.17 0.18 0.00 0.00 0.00 0.00 178.15 178.66 2fh0 h ALA 102 N 1.50 0.84 -0.39 1.87 0.00 -1.47 -2.72 119.26 118.90 2fh0 h ALA 102 Ca 0.45 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2fh0 h ALA 102 Cb 0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2fh0 h ALA 102 CO -0.25 0.53 -0.00 -0.22 0.00 0.00 0.00 179.25 179.30 2fh0 h LYS 103 N 0.94 0.63 -0.18 0.00 3.64 -1.17 -2.97 116.57 117.45 2fh0 h LYS 103 Ca 0.20 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2fh0 h LYS 103 Cb 0.32 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2fh0 h LYS 103 CO -0.00 0.65 0.12 1.96 -2.27 0.00 0.00 179.45 179.91 2fh0 h GLN 104 N 0.60 0.24 -7.70 1.90 1.08 -0.92 -3.44 115.11 106.88 2fh0 h GLN 104 Ca 0.12 -0.02 -0.46 0.00 -1.45 0.00 0.00 58.65 56.84 2fh0 h GLN 104 Cb 0.38 -0.05 0.12 0.00 -0.05 0.00 0.00 27.48 27.89 2fh0 h GLN 104 CO 0.01 0.18 0.42 -0.65 -0.95 0.00 0.00 178.83 177.84 2fh0 s GLN 105 N -6.10 1.46 0.00 1.46 -0.21 -1.11 -4.87 119.66 110.30 2fh0 s GLN 105 Ca -0.13 -0.08 -0.01 0.00 0.02 0.00 0.00 55.36 55.16 2fh0 s GLN 105 Cb 0.08 -1.91 0.00 0.00 1.00 0.00 0.00 33.01 32.18 2fh0 s GLN 105 CO 0.69 -1.91 0.01 0.09 -2.12 0.00 0.00 175.29 172.06 2fh0 n ASN 106 N -3.49 -5.99 -3.82 5.90 4.13 -1.26 -4.93 115.26 105.79 2fh0 n ASN 106 Ca 0.11 1.06 -0.13 0.00 1.68 0.00 0.00 54.58 57.30 2fh0 n ASN 106 Cb 0.60 -3.46 -0.14 0.00 -1.54 0.00 0.00 39.78 35.25 2fh0 n ASN 106 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2fh0 s SER 107 N -0.35 -0.06 -0.55 6.41 0.15 -1.26 -5.04 113.70 113.00 2fh0 s SER 107 Ca -0.01 0.15 -0.24 0.00 0.70 0.00 0.00 55.95 56.55 2fh0 s SER 107 Cb 0.00 0.12 0.04 0.00 -1.71 0.00 0.00 66.02 64.47 2fh0 s SER 107 CO 0.04 -0.05 0.91 -1.58 1.20 0.00 0.00 173.24 173.75 2fh0 s GLN 108 N 0.31 3.31 -0.14 5.44 0.74 -1.26 -4.84 119.66 123.23 2fh0 s GLN 108 Ca -0.02 -0.34 -0.06 0.00 0.05 0.00 0.00 55.36 54.99 2fh0 s GLN 108 Cb -0.03 -4.06 -0.06 0.00 1.10 0.00 0.00 33.01 29.95 2fh0 s GLN 108 CO -0.01 -1.46 -0.17 0.27 -0.55 0.00 0.00 175.29 173.37 2fh0 n ASN 109 N 7.31 1.29 -1.28 6.67 6.94 -1.26 -5.14 115.26 129.80 2fh0 n ASN 109 Ca 0.01 0.13 0.00 0.00 -0.02 0.00 0.00 54.58 54.70 2fh0 n ASN 109 Cb 0.47 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 2fh0 n ASN 109 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2fh0 n ASN 110 N -3.50 -5.92 0.00 0.53 5.03 -1.26 -5.04 115.26 105.10 2fh0 n ASN 110 Ca -0.26 0.76 0.00 0.00 0.87 0.00 0.00 54.58 55.94 2fh0 n ASN 110 Cb 0.70 -3.00 0.00 0.00 -1.02 0.00 0.00 39.78 36.45 2fh0 n ASN 110 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2fh0 n SER 111 N 0.79 0.23 -0.06 6.41 7.64 -1.26 -4.83 113.62 122.53 2fh0 n SER 111 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2fh0 n SER 111 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 2fh0 n SER 111 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2fh0 n LYS 112 N -2.97 1.56 0.17 1.43 5.02 -1.26 -4.48 118.16 117.63 2fh0 n LYS 112 Ca 0.00 -0.02 0.14 0.00 -2.02 0.00 0.00 58.31 56.41 2fh0 n LYS 112 Cb 0.50 -1.37 0.72 0.00 -0.02 0.00 0.00 35.03 34.86 2fh0 n LYS 112 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2fh0 h ILE 113 N 0.00 0.77 0.00 -0.18 5.03 -1.99 -3.21 117.51 117.92 2fh0 h ILE 113 Ca -0.35 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.39 2fh0 h ILE 113 Cb 1.78 0.88 0.00 0.00 -3.03 0.00 0.00 36.82 36.45 2fh0 h ILE 113 CO 0.02 0.00 0.00 2.30 -0.68 0.00 0.00 178.15 179.79 2fh0 n ILE 114 N -4.27 0.00 -3.71 -0.67 -5.35 -1.26 -4.89 119.36 99.20 2fh0 n ILE 114 Ca 0.02 1.41 -0.26 0.00 -0.27 0.00 0.00 62.75 63.65 2fh0 n ILE 114 Cb 0.30 -2.11 0.03 0.00 -1.74 0.00 0.00 39.64 36.12 2fh0 n ILE 114 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 2fh0 n PHE 115 N -2.28 -1.89 -0.62 4.28 7.35 -1.21 -5.16 117.46 117.93 2fh0 n PHE 115 Ca 0.00 0.67 0.00 0.00 -0.76 0.00 0.00 57.45 57.36 2fh0 n PHE 115 Cb 0.00 -3.87 0.00 0.00 0.35 0.00 0.00 39.48 35.96 2fh0 n PHE 115 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09