#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f72 s TYR 12 N 0.00 0.44 -1.18 1.61 6.14 -1.26 -4.86 117.35 118.24 3f72 s TYR 12 Ca 0.00 -0.07 -0.12 0.00 0.64 0.00 0.00 57.07 57.52 3f72 s TYR 12 Cb 0.00 -0.42 0.02 0.00 0.42 0.00 0.00 41.96 41.98 3f72 s TYR 12 CO 0.00 -0.11 0.23 -0.25 0.64 0.00 0.00 175.55 176.07 3f72 n ASP 13 N 3.76 -0.93 0.17 4.32 8.00 -1.26 -4.83 116.55 125.78 3f72 n ASP 13 Ca -0.23 -1.08 0.03 0.00 0.71 0.00 0.00 54.79 54.23 3f72 n ASP 13 Cb 0.53 -1.32 0.24 0.00 -0.02 0.00 0.00 41.12 40.54 3f72 n ASP 13 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3f72 h GLU 14 N -1.49 0.00 0.01 -1.24 4.39 -1.97 0.21 114.58 114.49 3f72 h GLU 14 Ca -0.57 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.04 3f72 h GLU 14 Cb 1.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 3f72 h GLU 14 CO 0.53 0.47 -0.48 0.93 -1.16 0.00 0.00 179.01 179.29 3f72 h GLU 15 N 0.00 0.02 -0.39 2.33 5.08 -1.99 0.23 114.58 119.87 3f72 h GLU 15 Ca -0.00 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3f72 h GLU 15 Cb 1.05 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.25 3f72 h GLU 15 CO 0.06 1.02 0.02 -0.22 -1.00 0.00 0.00 179.01 178.89 3f72 h LYS 16 N -0.95 0.13 0.33 2.33 3.64 -1.94 -0.02 116.57 120.08 3f72 h LYS 16 Ca -0.13 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3f72 h LYS 16 Cb 1.15 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 3f72 h LYS 16 CO -0.06 0.08 -0.39 0.28 -2.27 0.00 0.00 179.45 177.10 3f72 h VAL 17 N 0.13 0.21 -0.85 2.00 2.07 -0.63 -1.16 116.25 118.02 3f72 h VAL 17 Ca 0.19 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.86 3f72 h VAL 17 Cb 0.26 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 3f72 h VAL 17 CO -0.30 0.00 0.56 -1.13 0.02 0.00 0.00 177.57 176.72 3f72 h ASN 18 N -0.75 0.56 0.84 0.57 -1.24 -0.32 -1.33 115.58 113.90 3f72 h ASN 18 Ca -0.02 0.04 -0.04 0.00 0.71 0.00 0.00 56.30 56.99 3f72 h ASN 18 Cb 0.70 -0.07 0.01 0.00 0.73 0.00 0.00 38.32 39.68 3f72 h ASN 18 CO -0.10 0.28 -0.40 -0.09 -1.29 0.00 0.00 177.43 175.83 3f72 h ARG 19 N 0.59 -1.08 -0.01 6.67 2.43 -0.43 -1.21 114.38 121.33 3f72 h ARG 19 Ca 0.43 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 3f72 h ARG 19 Cb 0.80 0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3f72 h ARG 19 CO -0.18 -0.71 0.12 0.82 -1.51 0.00 0.00 179.97 178.51 3f72 h ILE 20 N -1.24 0.05 0.00 1.20 1.08 -1.14 -2.34 117.51 115.11 3f72 h ILE 20 Ca -0.11 0.00 -0.21 0.00 -0.39 0.00 0.00 64.86 64.14 3f72 h ILE 20 Cb 0.87 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 35.47 3f72 h ILE 20 CO 0.19 0.00 -1.15 1.56 -0.69 0.00 0.00 178.15 178.06 3f72 h GLN 21 N 0.00 0.00 -0.27 2.37 4.20 -0.96 -2.95 115.11 117.50 3f72 h GLN 21 Ca 0.01 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 3f72 h GLN 21 Cb 0.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3f72 h GLN 21 CO -0.00 0.74 -0.21 0.78 -0.67 0.00 0.00 178.83 179.47 3f72 h GLY 22 N 3.26 0.68 0.36 3.46 0.00 -0.70 -2.55 103.07 107.58 3f72 h GLY 22 Ca -0.09 -0.67 0.14 0.00 0.00 0.00 0.00 47.33 46.71 3f72 h GLY 22 CO 0.10 0.60 0.61 -0.55 0.00 0.00 0.00 176.54 177.30 3f72 h ASP 23 N 0.36 0.85 0.71 0.19 5.19 -1.57 -2.11 116.42 120.04 3f72 h ASP 23 Ca 0.05 0.06 -0.08 0.00 -0.62 0.00 0.00 57.03 56.45 3f72 h ASP 23 Cb 0.76 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 3f72 h ASP 23 CO 0.06 0.41 -0.36 -0.07 -3.12 0.00 0.00 179.24 176.16 3f72 h LEU 24 N 0.90 0.00 -0.70 1.55 3.38 -1.33 -3.10 115.31 116.02 3f72 h LEU 24 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 3f72 h LEU 24 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3f72 h LEU 24 CO -0.30 0.36 0.00 1.56 0.09 0.00 0.00 178.44 180.15 3f72 h GLN 25 N 0.00 0.00 -0.14 1.13 4.20 -0.96 -3.05 115.11 116.28 3f72 h GLN 25 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3f72 h GLN 25 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 3f72 h GLN 25 CO 0.05 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.46 3f72 n THR 26 N -3.08 0.17 -4.97 -0.54 -2.24 -1.17 -4.92 114.28 97.53 3f72 n THR 26 Ca 0.02 -0.58 -0.27 0.00 -2.27 0.00 0.00 64.05 60.95 3f72 n THR 26 Cb 0.42 1.31 -0.15 0.00 -2.10 0.00 0.00 70.33 69.81 3f72 n THR 26 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3f72 s VAL 27 N -1.76 1.66 -1.42 2.28 -7.23 -1.15 -5.07 120.40 107.71 3f72 s VAL 27 Ca 0.30 -0.94 -0.07 0.00 -1.81 0.00 0.00 61.98 59.46 3f72 s VAL 27 Cb 0.20 -1.39 0.05 0.00 0.56 0.00 0.00 36.38 35.81 3f72 s VAL 27 CO 0.29 0.43 2.55 -0.67 -0.31 0.00 0.00 175.10 177.39 3f72 n ASP 28 N 2.46 8.11 -0.32 4.85 2.03 -1.26 -4.73 116.55 127.68 3f72 n ASP 28 Ca -0.15 -2.96 0.18 0.00 0.52 0.00 0.00 54.79 52.38 3f72 n ASP 28 Cb 0.53 -1.43 0.36 0.00 -0.72 0.00 0.00 41.12 39.86 3f72 n ASP 28 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3f72 h ILE 29 N 2.79 0.14 -0.77 5.18 1.08 -1.98 -2.55 117.51 121.40 3f72 h ILE 29 Ca 0.75 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 65.15 3f72 h ILE 29 Cb 0.31 0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.06 3f72 h ILE 29 CO 1.59 0.02 0.37 -1.28 -0.69 0.00 0.00 178.15 178.16 3f72 h SER 30 N 0.10 0.99 1.44 1.72 0.87 -1.98 -2.09 113.55 114.61 3f72 h SER 30 Ca 0.64 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 3f72 h SER 30 Cb 1.42 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3f72 h SER 30 CO -0.78 0.84 -0.50 1.23 -0.53 0.00 0.00 176.83 177.09 3f72 h GLY 31 N 1.13 0.00 0.94 5.77 0.00 -1.91 -3.02 103.07 105.97 3f72 h GLY 31 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.50 3f72 h GLY 31 CO -0.03 0.00 -0.21 -2.08 0.00 0.00 0.00 176.54 174.22 3f72 h VAL 32 N 0.00 1.30 0.00 4.60 2.07 -1.04 -2.81 116.25 120.37 3f72 h VAL 32 Ca 0.00 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 3f72 h VAL 32 Cb 0.97 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3f72 h VAL 32 CO 0.00 0.43 -0.08 0.28 0.02 0.00 0.00 177.57 178.22 3f72 h SER 33 N 0.40 0.00 0.31 0.57 0.02 -1.45 -0.36 113.55 113.04 3f72 h SER 33 Ca 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3f72 h SER 33 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 3f72 h SER 33 CO 0.06 0.08 -0.15 1.56 -1.14 0.00 0.00 176.83 177.24 3f72 h GLN 34 N 0.00 -0.40 -0.77 3.45 4.20 -1.47 -2.18 115.11 117.95 3f72 h GLN 34 Ca -0.00 0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.84 3f72 h GLN 34 Cb 0.20 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 3f72 h GLN 34 CO 0.01 -0.07 0.40 0.97 -0.67 0.00 0.00 178.83 179.48 3f72 h ILE 35 N -0.91 0.86 0.00 2.54 2.10 -1.36 0.25 117.51 120.99 3f72 h ILE 35 Ca -0.04 -0.23 -0.11 0.00 1.08 0.00 0.00 64.86 65.56 3f72 h ILE 35 Cb 0.52 0.13 -0.02 0.00 -1.09 0.00 0.00 36.82 36.36 3f72 h ILE 35 CO 0.07 0.12 -0.52 -0.07 -1.08 0.00 0.00 178.15 176.67 3f72 h LEU 36 N 0.67 0.00 -0.41 2.19 3.38 -1.13 -1.98 115.31 118.03 3f72 h LEU 36 Ca 0.38 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.17 3f72 h LEU 36 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3f72 h LEU 36 CO -0.27 0.52 -0.55 0.50 0.09 0.00 0.00 178.44 178.73 3f72 h LYS 37 N 0.00 0.71 0.99 1.13 3.64 -0.53 0.14 116.57 122.66 3f72 h LYS 37 Ca -0.01 -0.45 -0.05 0.00 -1.27 0.00 0.00 60.65 58.87 3f72 h LYS 37 Cb 1.31 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.19 3f72 h LYS 37 CO 0.07 1.08 -0.48 0.00 -2.27 0.00 0.00 179.45 177.85 3f72 h ALA 38 N 0.83 -1.34 -0.71 5.00 0.00 -0.11 -3.18 119.26 119.75 3f72 h ALA 38 Ca 0.01 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.74 3f72 h ALA 38 Cb 1.13 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 19.36 3f72 h ALA 38 CO 0.11 -1.24 0.32 0.82 0.00 0.00 0.00 179.25 179.27 3f72 h ILE 39 N -1.36 0.78 -0.53 0.00 2.04 -1.35 -3.32 117.51 113.77 3f72 h ILE 39 Ca -0.14 -0.18 0.09 0.00 1.00 0.00 0.00 64.86 65.63 3f72 h ILE 39 Cb 1.02 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 3f72 h ILE 39 CO 0.22 0.10 0.14 0.00 0.00 0.00 0.00 178.15 178.61 3f72 h ALA 40 N 1.46 0.63 -0.96 1.87 0.00 -0.70 -2.40 119.26 119.16 3f72 h ALA 40 Ca 0.36 0.10 -0.74 0.00 0.00 0.00 0.00 54.91 54.63 3f72 h ALA 40 Cb 0.45 0.12 0.06 0.00 0.00 0.00 0.00 17.79 18.42 3f72 h ALA 40 CO -0.31 -0.28 -0.05 -3.47 0.00 0.00 0.00 179.25 175.14 3f72 n ASP 41 N -5.08 -0.24 -0.34 0.00 2.03 -1.25 -4.66 116.55 107.01 3f72 n ASP 41 Ca 0.07 1.11 0.13 0.00 0.52 0.00 0.00 54.79 56.61 3f72 n ASP 41 Cb 0.26 -0.89 0.26 0.00 -0.72 0.00 0.00 41.12 40.02 3f72 n ASP 41 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3f72 h GLU 42 N 2.52 0.02 0.00 -0.67 4.11 -1.95 -0.50 114.58 118.10 3f72 h GLU 42 Ca -0.45 -0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.74 3f72 h GLU 42 Cb 1.38 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.59 3f72 h GLU 42 CO 0.61 0.01 -1.26 -0.91 0.07 0.00 0.00 179.01 177.53 3f72 h ASN 43 N 0.02 0.00 0.19 3.06 2.35 -1.93 -3.03 115.58 116.24 3f72 h ASN 43 Ca 0.57 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.23 3f72 h ASN 43 Cb 1.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 3f72 h ASN 43 CO -0.91 0.99 -0.33 0.03 -1.65 0.00 0.00 177.43 175.56 3f72 h ARG 44 N 0.00 0.21 -0.51 0.81 3.08 -1.70 -2.97 114.38 113.30 3f72 h ARG 44 Ca -0.11 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 3f72 h ARG 44 Cb 1.85 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.87 3f72 h ARG 44 CO 0.11 0.53 0.21 0.00 -1.07 0.00 0.00 179.97 179.75 3f72 h ALA 45 N 1.47 0.66 -0.76 0.04 0.00 -0.57 0.49 119.26 120.59 3f72 h ALA 45 Ca 0.02 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3f72 h ALA 45 Cb 0.68 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3f72 h ALA 45 CO 0.05 0.27 0.50 0.87 0.00 0.00 0.00 179.25 180.94 3f72 h LYS 46 N 0.68 0.90 0.13 0.00 1.57 -1.51 0.68 116.57 119.03 3f72 h LYS 46 Ca 0.17 -0.05 -0.30 0.00 -1.87 0.00 0.00 60.65 58.60 3f72 h LYS 46 Cb 0.19 -0.20 0.02 0.00 0.08 0.00 0.00 32.23 32.32 3f72 h LYS 46 CO -0.01 0.60 -1.26 0.82 -0.57 0.00 0.00 179.45 179.02 3f72 h ILE 47 N 0.93 1.33 -0.21 1.86 2.04 -1.44 0.34 117.51 122.36 3f72 h ILE 47 Ca 0.30 -2.59 -0.02 0.00 1.00 0.00 0.00 64.86 63.55 3f72 h ILE 47 Cb 0.05 2.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 3f72 h ILE 47 CO -0.09 0.78 0.05 0.74 0.00 0.00 0.00 178.15 179.63 3f72 h THR 48 N 0.22 1.21 -0.47 -0.27 2.02 -0.67 -2.42 112.91 112.53 3f72 h THR 48 Ca -0.18 -0.68 0.05 0.00 0.77 0.00 0.00 66.41 66.36 3f72 h THR 48 Cb 1.94 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 69.55 3f72 h THR 48 CO 0.23 0.21 0.21 0.22 0.37 0.00 0.00 175.52 176.77 3f72 h TYR 49 N 0.16 0.38 0.00 3.16 3.20 -0.80 -2.60 116.97 120.48 3f72 h TYR 49 Ca 0.07 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3f72 h TYR 49 Cb 0.28 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 3f72 h TYR 49 CO 0.01 0.17 -0.04 0.00 -1.64 0.00 0.00 178.16 176.67 3f72 h ALA 50 N 1.28 1.75 -0.01 1.82 0.00 -0.06 0.38 119.26 124.42 3f72 h ALA 50 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3f72 h ALA 50 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3f72 h ALA 50 CO -0.18 0.05 -0.27 1.28 0.00 0.00 0.00 179.25 180.14 3f72 n LEU 51 N -4.22 1.05 0.01 0.00 4.77 -0.93 -2.22 117.00 115.46 3f72 n LEU 51 Ca -0.03 -0.27 0.13 0.00 -0.03 0.00 0.00 56.01 55.81 3f72 n LEU 51 Cb 0.12 -0.12 0.48 0.00 -2.33 0.00 0.00 43.42 41.57 3f72 n LEU 51 CO 0.32 0.20 0.79 0.00 -1.33 0.00 0.00 177.39 177.36 3f72 n GLN 53 N -1.60 0.44 -4.50 0.00 1.13 -0.94 -4.94 117.38 106.98 3f72 n GLN 53 Ca 0.06 0.15 -0.34 0.00 -1.94 0.00 0.00 57.00 54.93 3f72 n GLN 53 Cb 0.35 -1.28 -0.10 0.00 0.11 0.00 0.00 30.24 29.31 3f72 n GLN 53 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3f72 s ASP 54 N -6.39 4.92 0.08 1.08 1.11 -1.05 -5.07 116.67 111.36 3f72 s ASP 54 Ca -0.27 0.05 -0.28 0.00 0.18 0.00 0.00 52.55 52.23 3f72 s ASP 54 Cb 0.09 -1.35 -0.16 0.00 1.07 0.00 0.00 42.92 42.57 3f72 s ASP 54 CO 0.39 0.36 1.67 -0.08 1.18 0.00 0.00 175.17 178.68 3f72 h GLU 55 N 5.32 -0.47 -5.71 8.23 4.81 -1.90 -3.41 114.58 121.45 3f72 h GLU 55 Ca -0.48 0.03 -0.50 0.00 -0.13 0.00 0.00 59.36 58.28 3f72 h GLU 55 Cb 1.18 0.11 -0.24 0.00 0.63 0.00 0.00 28.75 30.43 3f72 h GLU 55 CO 0.54 -0.31 -0.81 -1.21 -0.73 0.00 0.00 179.01 176.49 3f72 s GLU 56 N -6.11 1.07 0.06 1.92 2.02 -1.25 -4.23 118.70 112.17 3f72 s GLU 56 Ca -0.16 -0.93 -0.12 0.00 0.02 0.00 0.00 54.97 53.78 3f72 s GLU 56 Cb 0.05 -1.16 0.01 0.00 0.10 0.00 0.00 34.13 33.13 3f72 s GLU 56 CO 0.64 0.28 0.27 -0.51 0.02 0.00 0.00 175.26 175.96 3f72 s LEU 57 N -1.44 1.03 0.33 1.80 1.43 -0.43 -4.93 118.68 116.47 3f72 s LEU 57 Ca 0.03 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 52.88 3f72 s LEU 57 Cb -0.09 1.27 -0.02 0.00 0.03 0.00 0.00 46.19 47.38 3f72 s LEU 57 CO 0.02 -0.65 0.38 0.00 0.23 0.00 0.00 176.35 176.33 3f72 h VAL 59 N 1.08 1.05 -0.03 0.00 3.04 -2.00 -2.09 116.25 117.29 3f72 h VAL 59 Ca -0.45 -0.30 -0.00 0.00 -1.01 0.00 0.00 66.70 64.93 3f72 h VAL 59 Cb 1.25 1.16 -0.00 0.00 -2.01 0.00 0.00 31.29 31.70 3f72 h VAL 59 CO 0.56 0.09 0.02 0.00 -1.01 0.00 0.00 177.57 177.22 3f72 h ASP 61 N -0.02 -1.34 -0.71 0.00 3.32 -1.79 -1.22 116.42 114.66 3f72 h ASP 61 Ca 0.01 0.23 0.06 0.00 0.02 0.00 0.00 57.03 57.35 3f72 h ASP 61 Cb 0.06 0.62 -0.06 0.00 0.22 0.00 0.00 39.33 40.17 3f72 h ASP 61 CO -0.00 -0.34 0.41 0.40 -1.72 0.00 0.00 179.24 177.99 3f72 h ILE 62 N -0.25 0.99 -0.12 0.35 1.08 -1.32 1.24 117.51 119.48 3f72 h ILE 62 Ca 0.18 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.37 3f72 h ILE 62 Cb 0.56 0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 34.48 3f72 h ILE 62 CO -0.63 0.14 -0.01 0.00 -0.69 0.00 0.00 178.15 176.96 3f72 h ALA 63 N 1.36 0.16 -0.70 1.87 0.00 -0.95 -0.29 119.26 120.71 3f72 h ALA 63 Ca 0.31 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3f72 h ALA 63 Cb 0.18 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3f72 h ALA 63 CO -0.18 -0.13 0.40 -0.97 0.00 0.00 0.00 179.25 178.37 3f72 h ASN 64 N -0.07 0.59 -0.54 0.00 -1.24 -1.00 0.75 115.58 114.07 3f72 h ASN 64 Ca 0.03 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.05 3f72 h ASN 64 Cb 0.39 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 3f72 h ASN 64 CO 0.01 0.38 0.23 0.40 -1.29 0.00 0.00 177.43 177.16 3f72 h ILE 65 N 0.72 1.21 0.00 2.57 2.04 0.18 -2.87 117.51 121.36 3f72 h ILE 65 Ca 0.32 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3f72 h ILE 65 Cb 0.20 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3f72 h ILE 65 CO -0.19 0.25 0.00 -0.07 0.00 0.00 0.00 178.15 178.14 3f72 h LEU 66 N 0.74 0.00 -1.81 1.44 4.07 -0.73 -3.48 115.31 115.54 3f72 h LEU 66 Ca 0.18 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.08 3f72 h LEU 66 Cb 0.17 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.94 3f72 h LEU 66 CO -0.02 0.00 -0.15 0.61 -1.08 0.00 0.00 178.44 177.80 3f72 n GLY 67 N 1.10 0.33 3.37 0.83 0.00 0.24 -5.06 105.19 106.00 3f72 n GLY 67 Ca 0.04 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 3f72 n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f72 s VAL 68 N -3.07 0.00 0.57 1.61 -7.23 0.25 -5.02 120.40 107.51 3f72 s VAL 68 Ca 0.01 -1.79 -0.16 0.00 -1.81 0.00 0.00 61.98 58.24 3f72 s VAL 68 Cb -0.01 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 3f72 s VAL 68 CO 0.14 0.00 1.03 0.42 -0.31 0.00 0.00 175.10 176.38 3f72 s THR 69 N -3.54 4.13 0.28 5.32 -4.23 -1.26 -4.34 115.64 112.00 3f72 s THR 69 Ca 0.35 0.99 -0.02 0.00 -1.18 0.00 0.00 61.69 61.82 3f72 s THR 69 Cb 0.02 -3.53 0.27 0.00 1.34 0.00 0.00 72.50 70.60 3f72 s THR 69 CO 0.19 -0.61 1.92 0.40 -0.54 0.00 0.00 174.62 175.98 3f72 h ILE 70 N 0.55 1.15 0.00 2.99 2.04 -1.94 0.62 117.51 122.92 3f72 h ILE 70 Ca -0.47 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3f72 h ILE 70 Cb 1.20 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3f72 h ILE 70 CO 0.59 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.95 3f72 n ALA 71 N -2.39 -0.14 -0.23 1.87 0.00 -1.26 -1.31 120.51 117.05 3f72 n ALA 71 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3f72 n ALA 71 Cb 0.11 0.33 0.07 0.00 0.00 0.00 0.00 19.45 19.96 3f72 n ALA 71 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3f72 h ASN 72 N 0.00 -0.62 0.00 0.00 -1.24 -1.95 -0.26 115.58 111.51 3f72 h ASN 72 Ca 0.00 0.20 0.00 0.00 0.71 0.00 0.00 56.30 57.21 3f72 h ASN 72 Cb 0.00 0.42 0.00 0.00 0.73 0.00 0.00 38.32 39.47 3f72 h ASN 72 CO 0.00 -0.22 0.00 0.00 -1.29 0.00 0.00 177.43 175.92 3f72 n ALA 73 N -3.12 -0.06 -0.29 1.57 0.00 0.21 -2.34 120.51 116.47 3f72 n ALA 73 Ca 0.09 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.81 3f72 n ALA 73 Cb 0.35 0.35 0.53 0.00 0.00 0.00 0.00 19.45 20.69 3f72 n ALA 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3f72 n SER 74 N -2.25 0.31 0.00 0.00 7.64 -0.43 -1.97 113.62 116.92 3f72 n SER 74 Ca 0.00 1.52 0.00 0.00 1.01 0.00 0.00 58.87 61.40 3f72 n SER 74 Cb 0.00 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 3f72 n SER 74 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3f72 n HIS 75 N -5.07 0.00 -0.31 1.43 -0.00 -0.13 -2.26 115.22 108.89 3f72 n HIS 75 Ca 0.34 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 58.20 3f72 n HIS 75 Cb 1.17 -0.39 0.32 0.00 -0.00 0.00 0.00 29.99 31.09 3f72 n HIS 75 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3f72 h HIS 76 N 0.00 0.62 0.00 1.57 3.86 -1.37 0.75 115.15 120.57 3f72 h HIS 76 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3f72 h HIS 76 Cb 0.00 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.34 3f72 h HIS 76 CO -0.25 -0.09 0.01 1.28 0.86 0.00 0.00 177.93 179.75 3f72 n LEU 77 N -5.08 0.29 -0.08 2.43 4.77 -0.83 -1.06 117.00 117.43 3f72 n LEU 77 Ca 0.23 0.63 -0.11 0.00 -0.03 0.00 0.00 56.01 56.73 3f72 n LEU 77 Cb 0.69 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 3f72 n LEU 77 CO 0.11 -0.73 -1.04 0.54 -1.33 0.00 0.00 177.39 174.95 3f72 n ARG 78 N -1.89 0.81 -0.37 3.23 1.74 0.25 -2.16 116.66 118.28 3f72 n ARG 78 Ca -0.01 0.07 -0.04 0.00 -0.77 0.00 0.00 57.85 57.11 3f72 n ARG 78 Cb 0.03 -1.35 0.01 0.00 -1.02 0.00 0.00 32.46 30.12 3f72 n ARG 78 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3f72 h THR 79 N 0.00 0.01 -0.15 0.55 2.02 -1.03 -2.99 112.91 111.33 3f72 h THR 79 Ca -0.39 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.65 3f72 h THR 79 Cb 1.68 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3f72 h THR 79 CO -0.04 0.00 -0.51 -0.07 0.37 0.00 0.00 175.52 175.27 3f72 h LEU 80 N -0.02 0.46 -1.87 2.58 3.38 -1.06 0.53 115.31 119.30 3f72 h LEU 80 Ca 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3f72 h LEU 80 Cb 0.56 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3f72 h LEU 80 CO -0.95 0.88 -0.08 0.22 0.09 0.00 0.00 178.44 178.60 3f72 h TYR 81 N 0.33 0.00 0.18 1.13 3.20 -1.33 0.13 116.97 120.60 3f72 h TYR 81 Ca 0.01 0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.57 3f72 h TYR 81 Cb 1.01 0.00 0.03 0.00 1.54 0.00 0.00 36.73 39.30 3f72 h TYR 81 CO 0.03 0.08 -1.34 -0.22 -1.64 0.00 0.00 178.16 175.08 3f72 h LYS 82 N 0.00 0.51 -0.75 1.82 3.64 0.16 -2.46 116.57 119.50 3f72 h LYS 82 Ca -0.00 -0.79 -0.11 0.00 -1.27 0.00 0.00 60.65 58.48 3f72 h LYS 82 Cb 0.16 0.28 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 3f72 h LYS 82 CO 0.01 1.37 0.13 1.04 -2.27 0.00 0.00 179.45 179.73 3f72 n GLN 83 N -3.71 3.65 -1.60 1.90 1.13 -0.65 -4.90 117.38 113.19 3f72 n GLN 83 Ca -0.14 -2.54 -0.19 0.00 -1.94 0.00 0.00 57.00 52.20 3f72 n GLN 83 Cb 1.04 -2.09 -0.08 0.00 0.11 0.00 0.00 30.24 29.23 3f72 n GLN 83 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3f72 n GLY 84 N 0.17 1.62 0.13 1.08 0.00 -0.93 -4.78 105.19 102.48 3f72 n GLY 84 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 3f72 n GLY 84 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3f72 h VAL 85 N 0.00 1.28 -1.74 1.61 2.07 -0.97 -3.38 116.25 115.11 3f72 h VAL 85 Ca -0.39 -2.53 -0.57 0.00 0.82 0.00 0.00 66.70 64.03 3f72 h VAL 85 Cb 1.23 2.99 -0.09 0.00 -1.52 0.00 0.00 31.29 33.90 3f72 h VAL 85 CO 0.56 0.74 -0.54 0.68 0.02 0.00 0.00 177.57 179.03 3f72 s VAL 86 N -2.49 2.52 0.46 2.57 -7.23 -1.09 0.40 120.40 115.55 3f72 s VAL 86 Ca -0.15 -1.79 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 3f72 s VAL 86 Cb 0.03 -2.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.01 3f72 s VAL 86 CO 0.84 -0.09 0.07 0.20 -0.31 0.00 0.00 175.10 175.81 3f72 s ASN 87 N -3.83 3.46 0.02 4.85 0.01 -0.71 -4.30 114.94 114.44 3f72 s ASN 87 Ca 0.38 -1.69 0.04 0.00 -0.71 0.00 0.00 52.86 50.89 3f72 s ASN 87 Cb 0.02 0.56 -0.02 0.00 0.41 0.00 0.00 41.25 42.22 3f72 s ASN 87 CO 0.21 -0.92 -0.13 0.72 -1.51 0.00 0.00 177.10 175.48 3f72 s PHE 88 N -3.05 1.16 0.27 2.20 -0.12 -1.26 -3.00 117.98 114.19 3f72 s PHE 88 Ca 0.14 -0.29 0.02 0.00 -0.05 0.00 0.00 56.93 56.75 3f72 s PHE 88 Cb 0.02 -0.72 -0.05 0.00 -0.63 0.00 0.00 43.02 41.64 3f72 s PHE 88 CO 0.09 0.01 0.08 -0.98 -0.05 0.00 0.00 175.22 174.37 3f72 s ARG 89 N -0.75 1.46 -0.40 1.99 1.70 -0.87 -5.00 118.95 117.09 3f72 s ARG 89 Ca 0.03 -1.80 -0.16 0.00 -0.47 0.00 0.00 55.73 53.33 3f72 s ARG 89 Cb -0.06 -0.43 0.01 0.00 -0.57 0.00 0.00 34.95 33.90 3f72 s ARG 89 CO 0.00 -0.26 0.39 0.15 -1.08 0.00 0.00 175.30 174.51 3f72 s LYS 90 N -3.99 3.21 -0.93 3.89 -0.14 -1.26 -2.69 119.74 117.83 3f72 s LYS 90 Ca 0.37 -0.70 -0.03 0.00 -1.36 0.00 0.00 55.97 54.25 3f72 s LYS 90 Cb 0.08 -3.92 -0.03 0.00 -1.68 0.00 0.00 37.83 32.28 3f72 s LYS 90 CO 0.14 -0.74 0.79 1.47 -0.76 0.00 0.00 175.35 176.25 3f72 n LEU 94 N 5.47 -4.38 -4.48 3.17 -0.00 -1.26 -4.76 117.00 110.75 3f72 n LEU 94 Ca -0.08 -0.55 -0.43 0.00 -0.00 0.00 0.00 56.01 54.94 3f72 n LEU 94 Cb 0.48 -2.71 -0.06 0.00 -0.00 0.00 0.00 43.42 41.13 3f72 n LEU 94 CO 0.44 0.19 0.43 0.00 -0.00 0.00 0.00 177.39 178.45 3f72 s ALA 95 N -3.31 3.33 -0.26 1.47 0.00 -1.26 -5.09 121.76 116.64 3f72 s ALA 95 Ca 0.20 -1.51 -0.03 0.00 0.00 0.00 0.00 51.96 50.62 3f72 s ALA 95 Cb -0.03 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.70 3f72 s ALA 95 CO 0.61 -2.03 -0.03 -0.51 0.00 0.00 0.00 175.76 173.80 3f72 s LEU 96 N 2.94 3.41 0.25 0.00 1.43 -1.10 -4.00 118.68 121.62 3f72 s LEU 96 Ca 0.20 -0.90 -0.23 0.00 -1.03 0.00 0.00 54.13 52.18 3f72 s LEU 96 Cb -0.17 -1.71 -0.09 0.00 0.03 0.00 0.00 46.19 44.26 3f72 s LEU 96 CO 0.15 -0.16 0.81 -0.31 0.23 0.00 0.00 176.35 177.07 3f72 s TYR 97 N 1.35 3.70 0.33 0.29 2.02 0.16 -2.06 117.35 123.14 3f72 s TYR 97 Ca -0.00 1.56 0.04 0.00 -0.37 0.00 0.00 57.07 58.29 3f72 s TYR 97 Cb -0.17 -2.74 -0.03 0.00 -0.40 0.00 0.00 41.96 38.61 3f72 s TYR 97 CO -0.03 0.31 0.16 -1.54 -1.57 0.00 0.00 175.55 172.89 3f72 s SER 98 N -1.58 1.91 0.37 2.29 1.04 -1.16 -1.31 113.70 115.26 3f72 s SER 98 Ca 0.45 -1.60 -0.26 0.00 0.48 0.00 0.00 55.95 55.02 3f72 s SER 98 Cb -0.18 0.41 -0.09 0.00 0.10 0.00 0.00 66.02 66.26 3f72 s SER 98 CO 0.23 -0.90 1.18 -0.22 0.98 0.00 0.00 173.24 174.50 3f72 s LEU 99 N -3.44 4.28 0.44 2.42 2.96 -1.26 -1.74 118.68 122.34 3f72 s LEU 99 Ca 0.33 2.38 0.10 0.00 -0.22 0.00 0.00 54.13 56.73 3f72 s LEU 99 Cb 0.04 -3.91 0.96 0.00 0.50 0.00 0.00 46.19 43.78 3f72 s LEU 99 CO 0.18 -0.57 2.05 1.23 -1.32 0.00 0.00 176.35 177.91 3f72 h GLY 100 N 2.92 0.33 -1.76 7.98 0.00 0.76 -3.40 103.07 109.89 3f72 h GLY 100 Ca -0.48 -0.14 0.37 0.00 0.00 0.00 0.00 47.33 47.07 3f72 h GLY 100 CO 0.64 0.14 0.91 0.61 0.00 0.00 0.00 176.54 178.83 3f72 n GLY 101 N -1.34 0.12 0.08 4.60 0.00 -1.26 -4.95 105.19 102.43 3f72 n GLY 101 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 3f72 n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3f72 h GLU 102 N 0.00 0.15 -0.94 1.61 4.39 -2.00 -2.09 114.58 115.70 3f72 h GLU 102 Ca -0.17 -0.01 0.26 0.00 0.34 0.00 0.00 59.36 59.78 3f72 h GLU 102 Cb 1.04 -0.03 -0.18 0.00 -0.10 0.00 0.00 28.75 29.48 3f72 h GLU 102 CO 0.26 0.15 0.04 0.00 -1.16 0.00 0.00 179.01 178.29 3f72 n ALA 103 N -2.15 0.50 -0.02 3.43 0.00 -1.26 0.04 120.51 121.06 3f72 n ALA 103 Ca -0.05 1.01 -0.10 0.00 0.00 0.00 0.00 53.44 54.30 3f72 n ALA 103 Cb 0.05 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 3f72 n ALA 103 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3f72 h ILE 104 N 0.00 0.98 -0.73 0.00 2.04 -1.77 -0.85 117.51 117.17 3f72 h ILE 104 Ca 0.58 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 66.45 3f72 h ILE 104 Cb 1.21 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 3f72 h ILE 104 CO -0.88 0.02 0.44 -0.09 0.00 0.00 0.00 178.15 177.64 3f72 h ARG 105 N 0.12 0.79 -0.44 2.37 2.43 -0.67 -2.07 114.38 116.91 3f72 h ARG 105 Ca 0.06 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3f72 h ARG 105 Cb 0.03 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 3f72 h ARG 105 CO -0.05 0.52 0.28 1.96 -1.51 0.00 0.00 179.97 181.16 3f72 h GLN 106 N 0.81 0.54 -0.13 0.20 1.08 0.16 -1.77 115.11 116.01 3f72 h GLN 106 Ca 0.32 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.48 3f72 h GLN 106 Cb 0.14 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 3f72 h GLN 106 CO -0.16 0.36 0.04 0.82 -0.95 0.00 0.00 178.83 178.94 3f72 h ILE 107 N 0.56 1.17 -0.43 2.54 2.04 -0.97 0.41 117.51 122.83 3f72 h ILE 107 Ca 0.17 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3f72 h ILE 107 Cb -0.02 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3f72 h ILE 107 CO -0.06 0.16 0.23 -0.03 0.00 0.00 0.00 178.15 178.45 3f72 h MET 108 N 0.04 0.60 -0.05 2.37 4.05 -1.32 -1.69 114.93 118.93 3f72 h MET 108 Ca 0.04 -0.07 -0.18 0.00 -0.28 0.00 0.00 59.70 59.21 3f72 h MET 108 Cb 0.21 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 3f72 h MET 108 CO -0.00 0.49 -0.75 0.52 0.23 0.00 0.00 176.91 177.39 3f72 h MET 109 N 0.56 0.29 -0.11 0.39 2.86 -1.13 -0.91 114.93 116.89 3f72 h MET 109 Ca 0.15 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3f72 h MET 109 Cb 0.06 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 3f72 h MET 109 CO -0.02 0.91 0.05 0.82 1.06 0.00 0.00 176.91 179.74 3f72 h ILE 110 N 0.19 1.10 -0.03 -1.22 5.03 -0.87 -0.47 117.51 121.25 3f72 h ILE 110 Ca -0.03 -0.29 0.03 0.00 -0.12 0.00 0.00 64.86 64.46 3f72 h ILE 110 Cb 1.32 1.10 -0.05 0.00 -3.03 0.00 0.00 36.82 36.17 3f72 h ILE 110 CO 0.12 0.09 -0.26 0.00 -0.68 0.00 0.00 178.15 177.43 3f72 h ALA 111 N 0.94 -0.32 -0.66 1.87 0.00 -1.29 1.38 119.26 121.18 3f72 h ALA 111 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3f72 h ALA 111 Cb 0.10 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3f72 h ALA 111 CO -0.01 -0.75 0.44 -0.07 0.00 0.00 0.00 179.25 178.86 3f72 h LEU 112 N -0.38 0.66 -0.14 0.00 3.38 -1.19 0.60 115.31 118.25 3f72 h LEU 112 Ca 0.07 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 3f72 h LEU 112 Cb 0.48 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3f72 h LEU 112 CO -0.24 0.45 -0.37 0.00 0.09 0.00 0.00 178.44 178.36 3f72 h ALA 113 N 1.62 0.23 -0.01 1.53 0.00 -0.39 -3.13 119.26 119.10 3f72 h ALA 113 Ca 0.27 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3f72 h ALA 113 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3f72 h ALA 113 CO -0.08 0.31 -0.05 1.25 0.00 0.00 0.00 179.25 180.69 3f72 h HIS 114 N 0.10 -0.12 -0.71 0.00 -0.00 0.21 -2.96 115.15 111.68 3f72 h HIS 114 Ca -0.01 0.01 0.14 0.00 -0.00 0.00 0.00 60.37 60.51 3f72 h HIS 114 Cb 0.99 0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 28.41 3f72 h HIS 114 CO 0.10 -0.08 0.48 -0.22 -0.00 0.00 0.00 177.93 178.21 3f72 h LYS 115 N -0.08 0.36 -0.00 5.26 1.63 0.08 -3.50 116.57 120.32 3f72 h LYS 115 Ca 0.03 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3f72 h LYS 115 Cb 0.11 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 3f72 h LYS 115 CO -0.06 0.24 0.00 1.17 -3.45 0.00 0.00 179.45 177.35