#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 0.81 -3.99 1.61 1.02 -1.26 -5.01 120.64 113.82 2fh0 n GLU 37 Ca 0.00 0.08 -0.24 0.00 -0.02 0.00 0.00 57.16 56.98 2fh0 n GLU 37 Cb 0.00 -1.41 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 2fh0 n GLU 37 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2fh0 s ASN 38 N -5.66 6.13 -0.38 1.62 3.84 -1.26 -5.09 114.94 114.15 2fh0 s ASN 38 Ca -0.21 0.05 0.03 0.00 0.21 0.00 0.00 52.86 52.94 2fh0 s ASN 38 Cb 0.06 -1.78 0.11 0.00 -0.55 0.00 0.00 41.25 39.09 2fh0 s ASN 38 CO 0.54 0.01 0.11 -0.44 -2.79 0.00 0.00 177.10 174.52 2fh0 s SER 39 N -3.52 4.81 -0.23 -4.21 0.01 -1.26 -5.07 113.70 104.23 2fh0 s SER 39 Ca 0.34 -2.25 -0.27 0.00 1.31 0.00 0.00 55.95 55.08 2fh0 s SER 39 Cb -0.10 -1.67 0.13 0.00 0.21 0.00 0.00 66.02 64.59 2fh0 s SER 39 CO 0.28 -0.39 1.03 0.00 0.41 0.00 0.00 173.24 174.57 2fh0 s ALA 40 N 0.79 -1.96 -0.14 1.44 0.00 -1.26 -5.14 121.76 115.48 2fh0 s ALA 40 Ca 0.11 1.76 -0.29 0.00 0.00 0.00 0.00 51.96 53.54 2fh0 s ALA 40 Cb -0.20 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 2fh0 s ALA 40 CO -0.06 -0.26 1.36 -1.25 0.00 0.00 0.00 175.76 175.55 2fh0 s PRO 41 N -0.29 4.21 0.00 0.00 0.04 -1.26 -4.82 135.00 132.88 2fh0 s PRO 41 Ca 0.01 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2fh0 s PRO 41 Cb -0.03 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.69 2fh0 s PRO 41 CO -0.03 -0.75 0.00 1.33 0.04 0.00 0.00 177.00 177.59 2fh0 n VAL 42 N 5.42 0.00 -0.09 -0.36 0.24 -1.26 -4.79 118.33 117.49 2fh0 n VAL 42 Ca 0.15 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.22 2fh0 n VAL 42 Cb 0.44 -0.74 -0.12 0.00 -1.47 0.00 0.00 33.84 31.96 2fh0 n VAL 42 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2fh0 n GLY 43 N 2.07 -0.60 0.31 7.63 0.00 -1.26 -4.10 105.19 109.24 2fh0 n GLY 43 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.39 1.51 -0.84 4.61 0.00 -1.95 0.45 119.26 122.65 2fh0 h ALA 44 Ca -0.49 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 2fh0 h ALA 44 Cb 1.66 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 2fh0 h ALA 44 CO -0.17 0.41 0.39 0.00 0.00 0.00 0.00 179.25 179.88 2fh0 h ALA 45 N 1.58 1.11 0.00 0.00 0.00 -1.87 -2.93 119.26 117.15 2fh0 h ALA 45 Ca 0.19 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 2fh0 h ALA 45 Cb 0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 2fh0 h ALA 45 CO -0.03 0.67 -1.31 -0.84 0.00 0.00 0.00 179.25 177.74 2fh0 h ILE 46 N 1.20 0.47 -0.15 0.00 3.07 -1.61 -3.35 117.51 117.15 2fh0 h ILE 46 Ca 0.29 -1.91 -0.00 0.00 1.55 0.00 0.00 64.86 64.78 2fh0 h ILE 46 Cb 0.13 2.01 -0.01 0.00 -0.27 0.00 0.00 36.82 38.68 2fh0 h ILE 46 CO -0.03 0.27 0.08 0.00 -1.05 0.00 0.00 178.15 177.41 2fh0 h ALA 47 N 1.48 1.85 0.00 0.16 0.00 0.07 -1.35 119.26 121.47 2fh0 h ALA 47 Ca -0.14 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 2fh0 h ALA 47 Cb 1.52 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2fh0 h ALA 47 CO 0.04 0.13 -0.75 -0.91 0.00 0.00 0.00 179.25 177.76 2fh0 h ASN 48 N 0.21 0.00 0.17 0.00 4.21 -1.65 -3.19 115.58 115.32 2fh0 h ASN 48 Ca 0.05 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.46 2fh0 h ASN 48 Cb 0.02 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.20 2fh0 h ASN 48 CO -0.01 0.75 -0.37 -0.26 -1.29 0.00 0.00 177.43 176.25 2fh0 h PHE 49 N 0.00 0.32 -4.02 1.19 -1.00 -1.40 -3.44 116.94 108.59 2fh0 h PHE 49 Ca -0.01 -0.08 -0.49 0.00 2.81 0.00 0.00 57.97 60.20 2fh0 h PHE 49 Cb 1.41 -0.07 0.05 0.00 3.61 0.00 0.00 35.95 40.95 2fh0 h PHE 49 CO 0.00 0.61 0.43 -0.51 -1.61 0.00 0.00 178.31 177.24 2fh0 s LEU 50 N -8.35 3.96 0.44 1.54 1.02 -1.03 -3.67 118.68 112.57 2fh0 s LEU 50 Ca -0.05 2.13 -0.12 0.00 0.02 0.00 0.00 54.13 56.11 2fh0 s LEU 50 Cb 0.14 -4.37 -0.07 0.00 0.02 0.00 0.00 46.19 41.91 2fh0 s LEU 50 CO 0.77 -0.84 0.83 -1.61 0.02 0.00 0.00 176.35 175.52 2fh0 s GLU 51 N -2.88 3.81 0.20 1.70 0.41 -1.13 -4.90 118.70 115.91 2fh0 s GLU 51 Ca 0.65 0.59 -0.10 0.00 -0.41 0.00 0.00 54.97 55.69 2fh0 s GLU 51 Cb -0.23 -2.32 0.26 0.00 -1.78 0.00 0.00 34.13 30.05 2fh0 s GLU 51 CO 0.28 -0.11 1.74 -1.35 -0.49 0.00 0.00 175.26 175.33 2fh0 h PRO 52 N 1.13 0.36 -0.38 0.39 0.11 -1.96 0.52 132.00 132.17 2fh0 h PRO 52 Ca -0.47 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 2fh0 h PRO 52 Cb 1.19 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2fh0 h PRO 52 CO 0.63 0.24 -0.21 -0.56 -0.21 0.00 0.00 178.00 177.89 2fh0 h GLN 53 N 0.38 0.75 -0.35 1.05 -0.00 -1.95 -2.50 115.11 112.49 2fh0 h GLN 53 Ca 0.29 -0.30 -0.04 0.00 -0.00 0.00 0.00 58.65 58.61 2fh0 h GLN 53 Cb 0.37 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 27.79 2fh0 h GLN 53 CO -0.31 0.90 0.08 0.00 -0.00 0.00 0.00 178.83 179.50 2fh0 h ALA 54 N 1.10 0.47 -0.65 0.06 0.00 -1.58 -2.57 119.26 116.08 2fh0 h ALA 54 Ca 0.09 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2fh0 h ALA 54 Cb 0.71 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2fh0 h ALA 54 CO 0.05 0.14 0.43 -0.07 0.00 0.00 0.00 179.25 179.81 2fh0 h LEU 55 N 0.42 0.76 -0.35 0.00 3.38 -0.84 -1.28 115.31 117.38 2fh0 h LEU 55 Ca 0.11 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.09 2fh0 h LEU 55 Cb 0.31 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2fh0 h LEU 55 CO 0.00 0.55 0.14 -0.08 0.09 0.00 0.00 178.44 179.14 2fh0 h GLU 56 N 0.89 0.29 -0.35 1.13 4.22 -1.32 -0.37 114.58 119.07 2fh0 h GLU 56 Ca 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.65 2fh0 h GLU 56 Cb -0.09 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2fh0 h GLU 56 CO -0.05 0.19 0.17 -0.09 -2.18 0.00 0.00 179.01 177.05 2fh0 h ARG 57 N 0.30 0.50 -0.45 1.92 1.12 -1.15 -2.52 114.38 114.10 2fh0 h ARG 57 Ca 0.16 -0.07 0.01 0.00 -1.11 0.00 0.00 59.98 58.96 2fh0 h ARG 57 Cb 0.11 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 29.96 2fh0 h ARG 57 CO -0.15 0.44 0.30 1.25 -3.11 0.00 0.00 179.97 178.70 2fh0 h LEU 58 N 0.43 0.50 -0.42 3.80 5.85 -0.85 -1.96 115.31 122.66 2fh0 h LEU 58 Ca 0.12 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 2fh0 h LEU 58 Cb 0.10 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2fh0 h LEU 58 CO -0.02 0.36 0.05 0.28 -0.34 0.00 0.00 178.44 178.78 2fh0 h SER 59 N 0.60 0.68 -0.36 1.25 0.02 -0.66 0.71 113.55 115.78 2fh0 h SER 59 Ca 0.16 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 2fh0 h SER 59 Cb -0.06 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 2fh0 h SER 59 CO -0.04 0.78 0.12 -0.09 -1.14 0.00 0.00 176.83 176.46 2fh0 h ARG 60 N 0.55 0.56 -0.47 3.45 9.65 -1.05 -2.99 114.38 124.08 2fh0 h ARG 60 Ca 0.13 -0.12 -0.13 0.00 -1.10 0.00 0.00 59.98 58.76 2fh0 h ARG 60 Cb 0.40 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 2fh0 h ARG 60 CO 0.01 0.58 -0.21 -0.24 2.80 0.00 0.00 179.97 182.91 2fh0 h VAL 61 N 0.44 1.27 -0.69 0.20 3.04 -1.31 -2.97 116.25 116.22 2fh0 h VAL 61 Ca 0.12 -1.37 0.18 0.00 -1.01 0.00 0.00 66.70 64.61 2fh0 h VAL 61 Cb 0.25 1.14 -0.04 0.00 -2.01 0.00 0.00 31.29 30.63 2fh0 h VAL 61 CO -0.00 0.47 0.49 0.00 -1.01 0.00 0.00 177.57 177.51 2fh0 h ALA 62 N 0.86 2.45 -0.14 3.17 0.00 -0.75 0.22 119.26 125.08 2fh0 h ALA 62 Ca 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2fh0 h ALA 62 Cb 0.79 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2fh0 h ALA 62 CO 0.07 -0.65 -0.16 -0.07 0.00 0.00 0.00 179.25 178.43 2fh0 h LEU 63 N 0.14 0.21 0.00 0.00 3.38 -1.38 -2.84 115.31 114.81 2fh0 h LEU 63 Ca 0.34 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 2fh0 h LEU 63 Cb 1.13 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2fh0 h LEU 63 CO -0.05 0.39 -0.86 0.52 0.09 0.00 0.00 178.44 178.54 2fh0 n VAL 64 N -4.25 1.46 -3.76 1.22 0.31 0.37 -4.83 118.33 108.84 2fh0 n VAL 64 Ca -0.01 0.13 -0.29 0.00 -0.01 0.00 0.00 64.34 64.16 2fh0 n VAL 64 Cb 0.29 -2.31 -0.13 0.00 -0.91 0.00 0.00 33.84 30.78 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 -2.45 1.59 0.46 5.55 3.00 0.48 -4.95 118.95 122.63 2fh0 s ARG 65 Ca -0.22 -2.37 0.11 0.00 0.00 0.00 0.00 55.73 53.26 2fh0 s ARG 65 Cb 0.04 -2.63 1.05 0.00 0.00 0.00 0.00 34.95 33.41 2fh0 s ARG 65 CO 0.34 -1.19 2.10 -0.09 0.00 0.00 0.00 175.30 176.46 2fh0 h ARG 66 N 6.36 0.29 -0.57 3.54 2.43 -1.68 -2.54 114.38 122.20 2fh0 h ARG 66 Ca 0.03 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 2fh0 h ARG 66 Cb 0.89 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.31 2fh0 h ARG 66 CO 0.55 0.19 0.25 0.22 -1.51 0.00 0.00 179.97 179.67 2fh0 h ASP 67 N 0.30 0.30 -0.18 -3.80 3.58 -1.92 0.19 116.42 114.88 2fh0 h ASP 67 Ca 0.08 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 2fh0 h ASP 67 Cb -0.03 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 2fh0 h ASP 67 CO -0.02 0.19 0.00 0.03 -2.88 0.00 0.00 179.24 176.57 2fh0 h ARG 68 N 0.46 0.33 -0.71 0.28 3.08 -1.85 -2.47 114.38 113.49 2fh0 h ARG 68 Ca 0.27 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 2fh0 h ARG 68 Cb 0.27 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 2fh0 h ARG 68 CO -0.24 0.53 0.44 0.00 -1.07 0.00 0.00 179.97 179.63 2fh0 h ALA 69 N 0.78 0.91 -0.33 0.04 0.00 -1.32 -2.39 119.26 116.95 2fh0 h ALA 69 Ca 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2fh0 h ALA 69 Cb 0.39 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2fh0 h ALA 69 CO 0.01 0.37 -0.02 -0.56 0.00 0.00 0.00 179.25 179.05 2fh0 h GLN 70 N 0.97 0.52 -0.11 0.00 3.07 -0.61 -2.24 115.11 116.72 2fh0 h GLN 70 Ca 0.26 -0.12 -0.08 0.00 0.09 0.00 0.00 58.65 58.80 2fh0 h GLN 70 Cb -0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.42 2fh0 h GLN 70 CO -0.05 0.56 -0.30 0.00 0.09 0.00 0.00 178.83 179.14 2fh0 h ALA 71 N 1.49 1.30 -0.11 0.06 0.00 -0.95 -0.38 119.26 120.66 2fh0 h ALA 71 Ca 0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2fh0 h ALA 71 Cb 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2fh0 h ALA 71 CO 0.01 0.48 -0.02 0.28 0.00 0.00 0.00 179.25 180.00 2fh0 h VAL 72 N 0.18 1.28 -0.34 0.00 2.07 -1.02 0.18 116.25 118.59 2fh0 h VAL 72 Ca 0.03 -0.92 -0.12 0.00 0.82 0.00 0.00 66.70 66.50 2fh0 h VAL 72 Cb 0.62 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2fh0 h VAL 72 CO 0.05 0.26 -0.29 1.05 0.02 0.00 0.00 177.57 178.66 2fh0 h GLU 73 N -0.10 0.73 -0.07 1.57 4.11 -1.40 -2.62 114.58 116.80 2fh0 h GLU 73 Ca 0.03 -0.32 -0.13 0.00 0.07 0.00 0.00 59.36 59.00 2fh0 h GLU 73 Cb 0.42 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2fh0 h GLU 73 CO 0.01 0.93 -0.56 1.15 0.07 0.00 0.00 179.01 180.61 2fh0 h THR 74 N 0.62 1.37 -0.33 -1.06 2.02 -1.02 -2.95 112.91 111.56 2fh0 h THR 74 Ca 0.07 -1.88 -0.05 0.00 0.77 0.00 0.00 66.41 65.32 2fh0 h THR 74 Cb 0.80 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 2fh0 h THR 74 CO 0.07 0.55 0.00 0.22 0.37 0.00 0.00 175.52 176.73 2fh0 h TYR 75 N 0.16 0.64 -0.35 3.16 5.03 -0.46 -2.77 116.97 122.37 2fh0 h TYR 75 Ca -0.00 -0.11 -0.00 0.00 2.58 0.00 0.00 58.73 61.20 2fh0 h TYR 75 Cb 1.03 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 39.13 2fh0 h TYR 75 CO 0.02 0.70 0.21 1.25 -1.32 0.00 0.00 178.16 179.01 2fh0 h LEU 76 N 0.39 0.43 -1.62 2.82 5.85 -1.44 -2.46 115.31 119.27 2fh0 h LEU 76 Ca 0.09 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2fh0 h LEU 76 Cb 0.45 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2fh0 h LEU 76 CO 0.02 0.37 0.28 0.07 -0.34 0.00 0.00 178.44 178.84 2fh0 h LYS 77 N 0.45 0.49 -0.26 1.25 2.10 -1.50 -1.48 116.57 117.63 2fh0 h LYS 77 Ca 0.13 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.73 2fh0 h LYS 77 Cb 0.03 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.23 2fh0 h LYS 77 CO -0.02 0.32 0.08 -0.22 -2.00 0.00 0.00 179.45 177.61 2fh0 h LYS 78 N 0.50 0.40 -0.48 0.07 3.64 -1.15 0.57 116.57 120.12 2fh0 h LYS 78 Ca 0.16 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2fh0 h LYS 78 Cb 0.04 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2fh0 h LYS 78 CO -0.04 0.48 0.15 -0.07 -2.27 0.00 0.00 179.45 177.70 2fh0 h LEU 79 N 0.25 0.70 -0.65 5.20 4.07 -1.13 -2.33 115.31 121.41 2fh0 h LEU 79 Ca 0.08 -0.20 -0.08 0.00 0.08 0.00 0.00 57.88 57.76 2fh0 h LEU 79 Cb 0.25 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 2fh0 h LEU 79 CO -0.00 0.71 0.11 0.40 -1.08 0.00 0.00 178.44 178.58 2fh0 h ILE 80 N 0.64 1.26 0.00 1.22 2.04 -1.20 -0.74 117.51 120.74 2fh0 h ILE 80 Ca 0.16 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 2fh0 h ILE 80 Cb 0.26 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2fh0 h ILE 80 CO -0.01 0.38 -0.15 0.00 0.00 0.00 0.00 178.15 178.37 2fh0 h ALA 81 N 1.04 1.49 0.00 1.87 0.00 -0.69 -3.31 119.26 119.65 2fh0 h ALA 81 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2fh0 h ALA 81 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2fh0 h ALA 81 CO 0.01 0.19 -0.19 1.15 0.00 0.00 0.00 179.25 180.41 2fh0 h THR 82 N 0.00 0.00 0.00 0.00 2.02 -1.06 -3.50 112.91 110.37 2fh0 h THR 82 Ca -0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2fh0 h THR 82 Cb 0.32 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2fh0 h THR 82 CO 0.02 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 175.45 2fh0 n ASN 83 N -3.38 0.00 -4.54 4.18 0.23 -0.37 -5.09 115.26 106.29 2fh0 n ASN 83 Ca -0.03 0.00 -0.25 0.00 -0.53 0.00 0.00 54.58 53.77 2fh0 n ASN 83 Cb 0.10 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.71 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 -0.46 1.26 -3.12 0.53 5.03 -0.67 -4.78 115.26 113.04 2fh0 n ASN 84 Ca 0.00 -0.84 -0.19 0.00 0.87 0.00 0.00 54.58 54.42 2fh0 n ASN 84 Cb 0.00 -1.37 -0.05 0.00 -1.02 0.00 0.00 39.78 37.34 2fh0 n ASN 84 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2fh0 n VAL 85 N 7.87 -0.67 -2.27 2.41 0.31 -1.26 -3.57 118.33 121.15 2fh0 n VAL 85 Ca 0.50 -2.84 0.02 0.00 -0.01 0.00 0.00 64.34 62.01 2fh0 n VAL 85 Cb 0.37 -0.77 0.01 0.00 -0.91 0.00 0.00 33.84 32.54 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 2.30 0.00 -3.64 2.52 -2.24 -1.26 -5.11 114.28 106.84 2fh0 n THR 86 Ca 0.22 -0.54 0.01 0.00 -2.27 0.00 0.00 64.05 61.48 2fh0 n THR 86 Cb 0.53 0.77 -0.00 0.00 -2.10 0.00 0.00 70.33 69.52 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 0.00 -0.05 0.48 4.78 -3.43 -1.26 -5.19 115.29 110.62 2fh0 s HIS 87 Ca 0.18 -0.07 0.04 0.00 -0.80 0.00 0.00 55.06 54.41 2fh0 s HIS 87 Cb 0.21 0.56 -0.02 0.00 -1.43 0.00 0.00 32.58 31.89 2fh0 s HIS 87 CO -0.09 -0.32 0.13 0.15 -2.00 0.00 0.00 174.74 172.61 2fh0 s LYS 88 N -2.48 2.18 -0.88 -0.38 3.01 -1.26 -5.08 119.74 114.85 2fh0 s LYS 88 Ca 0.14 -2.15 -0.15 0.00 -1.01 0.00 0.00 55.97 52.81 2fh0 s LYS 88 Cb 0.04 -1.78 0.20 0.00 -1.01 0.00 0.00 37.83 35.29 2fh0 s LYS 88 CO -0.03 -0.31 0.89 0.42 0.51 0.00 0.00 175.35 176.82 2fh0 s ILE 89 N -2.76 5.42 1.14 2.17 1.01 -1.24 -4.92 121.20 122.01 2fh0 s ILE 89 Ca 0.24 -2.32 -0.19 0.00 0.00 0.00 0.00 60.65 58.38 2fh0 s ILE 89 Cb 0.03 -4.56 0.27 0.00 0.01 0.00 0.00 42.46 38.21 2fh0 s ILE 89 CO 0.14 -1.17 1.22 0.42 0.00 0.00 0.00 174.94 175.55 2fh0 s THR 90 N 0.71 1.72 0.27 2.92 -4.23 -1.26 -2.83 115.64 112.93 2fh0 s THR 90 Ca 0.23 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.73 2fh0 s THR 90 Cb -0.09 -2.71 0.26 0.00 1.34 0.00 0.00 72.50 71.30 2fh0 s THR 90 CO -0.09 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 175.74 2fh0 h GLU 91 N -2.32 0.91 -0.11 3.99 4.81 -1.92 1.00 114.58 120.94 2fh0 h GLU 91 Ca -0.43 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 58.62 2fh0 h GLU 91 Cb 1.25 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2fh0 h GLU 91 CO 0.30 0.60 -0.50 0.00 -0.73 0.00 0.00 179.01 178.68 2fh0 h ALA 92 N 1.50 0.95 -0.07 2.92 0.00 -1.98 -2.35 119.26 120.23 2fh0 h ALA 92 Ca 0.46 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2fh0 h ALA 92 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2fh0 h ALA 92 CO -0.25 0.66 -0.15 0.93 0.00 0.00 0.00 179.25 180.45 2fh0 h GLU 93 N 0.22 0.22 -0.62 0.00 5.08 -1.44 -1.83 114.58 116.21 2fh0 h GLU 93 Ca 0.01 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2fh0 h GLU 93 Cb 0.97 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 2fh0 h GLU 93 CO 0.08 0.74 0.27 0.97 -1.00 0.00 0.00 179.01 180.07 2fh0 h ILE 94 N -0.28 1.23 -0.50 3.13 6.09 -0.91 -1.00 117.51 125.28 2fh0 h ILE 94 Ca 0.00 -0.68 -0.07 0.00 -1.37 0.00 0.00 64.86 62.74 2fh0 h ILE 94 Cb 0.74 0.52 -0.02 0.00 0.47 0.00 0.00 36.82 38.53 2fh0 h ILE 94 CO 0.03 0.27 0.04 -0.37 -3.07 0.00 0.00 178.15 175.05 2fh0 h VAL 95 N 0.86 1.26 -0.43 2.19 -1.51 -1.48 -1.23 116.25 115.91 2fh0 h VAL 95 Ca 0.21 -1.01 -0.00 0.00 -1.23 0.00 0.00 66.70 64.66 2fh0 h VAL 95 Cb 0.17 0.93 -0.02 0.00 -2.13 0.00 0.00 31.29 30.24 2fh0 h VAL 95 CO -0.02 0.36 0.26 0.28 -1.23 0.00 0.00 177.57 177.22 2fh0 h SER 96 N 0.73 0.52 -0.73 4.19 0.02 -1.10 0.17 113.55 117.34 2fh0 h SER 96 Ca 0.15 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2fh0 h SER 96 Cb 0.46 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2fh0 h SER 96 CO 0.02 0.42 0.38 0.40 -1.14 0.00 0.00 176.83 176.90 2fh0 h ILE 97 N 0.57 1.23 -0.64 3.27 2.04 -1.05 -1.46 117.51 121.48 2fh0 h ILE 97 Ca 0.15 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 2fh0 h ILE 97 Cb -0.00 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 2fh0 h ILE 97 CO -0.03 0.27 0.40 0.25 0.00 0.00 0.00 178.15 179.03 2fh0 h LEU 98 N 1.02 0.76 -1.10 1.44 6.46 -0.74 0.13 115.31 123.28 2fh0 h LEU 98 Ca 0.26 -0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.92 2fh0 h LEU 98 Cb 0.08 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 2fh0 h LEU 98 CO -0.04 0.59 0.18 0.78 -0.62 0.00 0.00 178.44 179.33 2fh0 h ASN 99 N 0.87 0.75 -0.10 1.25 2.35 -0.52 -1.97 115.58 118.21 2fh0 h ASN 99 Ca 0.23 -0.11 -0.23 0.00 -0.55 0.00 0.00 56.30 55.63 2fh0 h ASN 99 Cb -0.04 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.14 2fh0 h ASN 99 CO -0.04 0.71 -0.85 1.23 -1.65 0.00 0.00 177.43 176.83 2fh0 h GLY 100 N 0.95 0.84 0.62 2.83 0.00 -0.77 -2.41 103.07 105.13 2fh0 h GLY 100 Ca 0.18 -1.27 0.03 0.00 0.00 0.00 0.00 47.33 46.27 2fh0 h GLY 100 CO -0.01 1.13 -0.13 -2.22 0.00 0.00 0.00 176.54 175.30 2fh0 h ILE 101 N 0.47 0.66 -0.47 2.60 2.04 -0.49 -1.69 117.51 120.63 2fh0 h ILE 101 Ca -0.08 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 2fh0 h ILE 101 Cb 1.49 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2fh0 h ILE 101 CO 0.17 0.00 0.09 0.00 0.00 0.00 0.00 178.15 178.41 2fh0 h ALA 102 N 0.78 1.28 -0.76 1.87 0.00 -1.43 -2.57 119.26 118.42 2fh0 h ALA 102 Ca 0.06 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2fh0 h ALA 102 Cb 0.29 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2fh0 h ALA 102 CO -0.16 0.50 0.50 -0.22 0.00 0.00 0.00 179.25 179.88 2fh0 h LYS 103 N 0.70 0.96 -0.51 0.00 1.63 -0.85 0.34 116.57 118.83 2fh0 h LYS 103 Ca 0.15 -0.06 0.05 0.00 -0.85 0.00 0.00 60.65 59.94 2fh0 h LYS 103 Cb 0.30 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 2fh0 h LYS 103 CO 0.00 0.63 0.34 1.96 -3.45 0.00 0.00 179.45 178.94 2fh0 h GLN 104 N 0.99 0.50 0.11 1.90 1.08 -0.90 -2.81 115.11 115.98 2fh0 h GLN 104 Ca 0.29 -0.03 -0.26 0.00 -1.45 0.00 0.00 58.65 57.20 2fh0 h GLN 104 Cb -0.04 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.28 2fh0 h GLN 104 CO -0.07 0.33 -1.30 1.96 -0.95 0.00 0.00 178.83 178.80 2fh0 h GLN 105 N 0.51 0.24 -4.25 1.46 4.20 -1.35 -3.43 115.11 112.50 2fh0 h GLN 105 Ca 0.22 -0.41 -0.74 0.00 0.06 0.00 0.00 58.65 57.78 2fh0 h GLN 105 Cb 0.21 0.15 -0.28 0.00 0.30 0.00 0.00 27.48 27.87 2fh0 h GLN 105 CO -0.06 1.20 -0.35 -0.80 -0.67 0.00 0.00 178.83 178.15 2fh0 s ASN 106 N -7.01 5.85 -0.35 1.46 0.01 0.01 -4.96 114.94 109.95 2fh0 s ASN 106 Ca -0.19 -1.84 0.02 0.00 -0.71 0.00 0.00 52.86 50.15 2fh0 s ASN 106 Cb 0.04 -2.07 0.19 0.00 0.41 0.00 0.00 41.25 39.81 2fh0 s ASN 106 CO 0.77 -0.73 0.74 -0.55 -1.51 0.00 0.00 177.10 175.82 2fh0 s SER 107 N 2.90 -1.24 0.33 -1.22 0.15 -1.24 -4.52 113.70 108.86 2fh0 s SER 107 Ca 0.05 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2fh0 s SER 107 Cb -0.27 1.65 0.00 0.00 -1.71 0.00 0.00 66.02 65.69 2fh0 s SER 107 CO 0.01 -0.17 0.00 0.00 1.20 0.00 0.00 173.24 174.28 2fh0 n GLN 108 N 4.64 0.00 -3.28 5.44 10.64 -1.26 -5.12 117.38 128.44 2fh0 n GLN 108 Ca 0.08 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.28 2fh0 n GLN 108 Cb 0.57 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.91 2fh0 n GLN 108 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2fh0 s ASN 109 N -2.06 -0.23 -0.07 2.61 4.22 -1.26 -5.17 114.94 112.98 2fh0 s ASN 109 Ca 0.00 0.33 -0.03 0.00 -2.14 0.00 0.00 52.86 51.02 2fh0 s ASN 109 Cb 0.00 1.26 0.04 0.00 1.28 0.00 0.00 41.25 43.83 2fh0 s ASN 109 CO 0.00 -0.05 0.14 0.20 -2.04 0.00 0.00 177.10 175.35 2fh0 s ASN 110 N 2.11 0.28 -0.36 3.54 0.01 -1.26 -5.11 114.94 114.15 2fh0 s ASN 110 Ca -0.01 0.28 -0.03 0.00 -0.71 0.00 0.00 52.86 52.39 2fh0 s ASN 110 Cb -0.02 0.18 0.08 0.00 0.41 0.00 0.00 41.25 41.89 2fh0 s ASN 110 CO -0.16 -0.19 0.11 -0.94 -1.51 0.00 0.00 177.10 174.41 2fh0 s SER 111 N 1.62 5.11 -1.63 -1.22 1.04 -1.26 -4.62 113.70 112.75 2fh0 s SER 111 Ca -0.04 -1.62 -0.01 0.00 0.48 0.00 0.00 55.95 54.76 2fh0 s SER 111 Cb -0.12 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.22 2fh0 s SER 111 CO -0.05 -0.40 0.13 0.29 0.98 0.00 0.00 173.24 174.18 2fh0 n LYS 112 N 4.63 -2.24 -1.23 4.02 4.01 -1.26 -4.89 118.16 121.20 2fh0 n LYS 112 Ca -0.08 0.93 -0.14 0.00 -0.51 0.00 0.00 58.31 58.51 2fh0 n LYS 112 Cb 0.43 -5.56 0.13 0.00 -0.51 0.00 0.00 35.03 29.52 2fh0 n LYS 112 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 2fh0 n ILE 113 N -4.11 2.69 -1.24 -0.18 2.08 -1.26 -4.59 119.36 112.75 2fh0 n ILE 113 Ca -0.21 -3.24 0.01 0.00 0.56 0.00 0.00 62.75 59.88 2fh0 n ILE 113 Cb 0.66 -0.67 0.22 0.00 -0.75 0.00 0.00 39.64 39.10 2fh0 n ILE 113 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 2fh0 n ILE 114 N -0.98 2.42 -2.92 1.39 -0.00 -1.26 -4.91 119.36 113.10 2fh0 n ILE 114 Ca 0.40 -2.35 -0.44 0.00 -0.00 0.00 0.00 62.75 60.36 2fh0 n ILE 114 Cb 0.95 -0.29 -0.02 0.00 -0.00 0.00 0.00 39.64 40.28 2fh0 n ILE 114 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.55 176.67 2fh0 s PHE 115 N -3.06 3.20 0.00 1.39 5.36 -1.26 -5.26 117.98 118.35 2fh0 s PHE 115 Ca 0.43 -1.58 0.00 0.00 -0.96 0.00 0.00 56.93 54.82 2fh0 s PHE 115 Cb 0.37 -4.30 0.00 0.00 -0.34 0.00 0.00 43.02 38.75 2fh0 s PHE 115 CO 0.04 -1.48 0.29 -0.85 -1.46 0.00 0.00 175.22 171.77