#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhs s GLU 4 N 0.00 4.38 0.38 5.31 2.56 -1.26 -4.97 118.70 125.10 3mhs s GLU 4 Ca 0.00 1.77 -0.28 0.00 0.00 0.00 0.00 54.97 56.47 3mhs s GLU 4 Cb 0.00 -2.92 -0.10 0.00 2.00 0.00 0.00 34.13 33.11 3mhs s GLU 4 CO 0.00 -0.01 1.39 0.99 -0.56 0.00 0.00 175.26 177.06 3mhs s THR 5 N -1.33 2.38 -0.17 -1.70 2.01 -1.26 -5.01 115.64 110.56 3mhs s THR 5 Ca 0.51 0.37 -0.05 0.00 0.31 0.00 0.00 61.69 62.82 3mhs s THR 5 Cb -0.30 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 3mhs s THR 5 CO 0.38 0.08 -0.00 0.27 -0.69 0.00 0.00 174.62 174.66 3mhs s ILE 6 N -1.16 4.15 0.07 1.82 -4.36 -1.26 -4.97 121.20 115.49 3mhs s ILE 6 Ca 0.53 -0.26 0.02 0.00 -0.26 0.00 0.00 60.65 60.68 3mhs s ILE 6 Cb -0.42 -2.84 -0.04 0.00 1.25 0.00 0.00 42.46 40.41 3mhs s ILE 6 CO 0.56 0.47 -0.07 0.42 0.24 0.00 0.00 174.94 176.57 3mhs s THR 7 N 0.47 0.59 0.25 8.37 -4.23 -1.26 -5.00 115.64 114.83 3mhs s THR 7 Ca -0.01 -1.62 -0.07 0.00 -1.18 0.00 0.00 61.69 58.80 3mhs s THR 7 Cb -0.14 -1.29 0.30 0.00 1.34 0.00 0.00 72.50 72.72 3mhs s THR 7 CO 0.02 -0.71 1.62 0.40 -0.54 0.00 0.00 174.62 175.41 3mhs h ILE 8 N 3.52 0.29 -0.63 2.99 1.08 -1.98 0.28 117.51 123.05 3mhs h ILE 8 Ca -0.35 -0.03 0.06 0.00 -0.39 0.00 0.00 64.86 64.15 3mhs h ILE 8 Cb 1.18 0.21 -0.05 0.00 -3.07 0.00 0.00 36.82 35.08 3mhs h ILE 8 CO 0.56 0.01 0.35 0.44 -0.69 0.00 0.00 178.15 178.82 3mhs h ASP 9 N 0.07 0.51 0.02 1.72 5.19 -1.98 0.83 116.42 122.78 3mhs h ASP 9 Ca 0.42 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.86 3mhs h ASP 9 Cb 0.74 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.18 3mhs h ASP 9 CO -0.72 0.33 -0.01 0.77 -3.12 0.00 0.00 179.24 176.50 3mhs h SER 10 N 0.65 -0.03 -0.64 6.45 4.64 -1.27 -1.26 113.55 122.09 3mhs h SER 10 Ca 0.28 -0.43 -0.04 0.00 -0.47 0.00 0.00 61.79 61.14 3mhs h SER 10 Cb 0.18 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 3mhs h SER 10 CO -0.18 0.42 0.27 0.40 -0.87 0.00 0.00 176.83 176.86 3mhs h ILE 11 N -0.48 1.23 -0.61 0.95 2.04 -0.52 -1.31 117.51 118.81 3mhs h ILE 11 Ca -0.00 -0.72 -0.08 0.00 1.00 0.00 0.00 64.86 65.06 3mhs h ILE 11 Cb 0.45 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3mhs h ILE 11 CO 0.01 0.29 0.08 0.28 0.00 0.00 0.00 178.15 178.80 3mhs h SER 12 N 0.96 0.99 -0.45 1.72 0.02 -0.82 0.07 113.55 116.04 3mhs h SER 12 Ca 0.22 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3mhs h SER 12 Cb 0.18 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3mhs h SER 12 CO -0.02 1.01 0.20 0.78 -1.14 0.00 0.00 176.83 177.66 3mhs h ASN 13 N 0.94 0.64 -0.10 3.07 2.35 -0.79 -0.28 115.58 121.40 3mhs h ASN 13 Ca 0.18 -0.07 -0.18 0.00 -0.55 0.00 0.00 56.30 55.68 3mhs h ASN 13 Cb 0.46 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3mhs h ASN 13 CO 0.02 0.58 -0.58 1.23 -1.65 0.00 0.00 177.43 177.03 3mhs h GLY 14 N 0.85 0.76 0.86 2.83 0.00 -0.59 0.13 103.07 107.91 3mhs h GLY 14 Ca 0.17 -0.91 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 3mhs h GLY 14 CO -0.02 0.82 0.05 -2.22 0.00 0.00 0.00 176.54 175.17 3mhs h ILE 15 N 0.53 1.22 -0.59 2.60 2.04 -0.50 0.45 117.51 123.26 3mhs h ILE 15 Ca 0.00 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 3mhs h ILE 15 Cb 1.15 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 3mhs h ILE 15 CO 0.12 0.24 0.25 0.25 0.00 0.00 0.00 178.15 179.01 3mhs h LEU 16 N 0.21 0.79 -0.94 1.44 5.85 -0.98 -1.48 115.31 120.21 3mhs h LEU 16 Ca 0.07 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3mhs h LEU 16 Cb 0.31 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3mhs h LEU 16 CO 0.00 0.73 0.34 -1.13 -0.34 0.00 0.00 178.44 178.04 3mhs h ASN 17 N 0.81 1.01 -0.53 1.25 -0.73 -0.61 0.18 115.58 116.95 3mhs h ASN 17 Ca 0.20 -0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.24 3mhs h ASN 17 Cb 0.17 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.47 3mhs h ASN 17 CO -0.02 0.87 0.35 0.78 -0.37 0.00 0.00 177.43 179.04 3mhs h ASN 18 N 1.09 0.61 -0.29 1.15 -0.26 -0.26 -1.60 115.58 116.02 3mhs h ASN 18 Ca 0.26 -0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.93 3mhs h ASN 18 Cb 0.15 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 3mhs h ASN 18 CO -0.03 0.45 -0.01 -0.07 -1.06 0.00 0.00 177.43 176.71 3mhs h LEU 19 N 0.72 0.52 -0.29 1.61 3.38 -0.76 -2.44 115.31 118.04 3mhs h LEU 19 Ca 0.19 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 3mhs h LEU 19 Cb -0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3mhs h LEU 19 CO -0.04 0.71 -0.18 -0.07 0.09 0.00 0.00 178.44 178.95 3mhs h LEU 20 N 0.31 0.66 -0.81 1.67 3.38 -0.88 -2.45 115.31 117.19 3mhs h LEU 20 Ca 0.08 -0.43 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 3mhs h LEU 20 Cb 0.45 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3mhs h LEU 20 CO 0.02 0.94 -0.31 0.71 0.09 0.00 0.00 178.44 179.89 3mhs h THR 21 N 0.38 1.28 -0.09 0.22 1.35 -1.29 -0.76 112.91 114.00 3mhs h THR 21 Ca 0.06 -1.40 0.01 0.00 -0.55 0.00 0.00 66.41 64.53 3mhs h THR 21 Cb 0.71 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 3mhs h THR 21 CO 0.05 0.44 0.02 0.74 -0.25 0.00 0.00 175.52 176.52 3mhs h THR 22 N 0.46 0.97 -0.51 6.82 2.02 -1.42 -0.20 112.91 121.05 3mhs h THR 22 Ca 0.06 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 3mhs h THR 22 Cb 0.77 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3mhs h THR 22 CO 0.06 0.01 0.26 0.25 0.37 0.00 0.00 175.52 176.48 3mhs h LEU 23 N 0.06 0.64 -0.33 2.58 5.85 -1.28 -0.13 115.31 122.71 3mhs h LEU 23 Ca 0.04 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3mhs h LEU 23 Cb 0.03 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3mhs h LEU 23 CO -0.05 0.57 0.21 0.40 -0.34 0.00 0.00 178.44 179.23 3mhs h ILE 24 N 0.67 1.10 -0.38 4.05 2.04 -1.05 -0.72 117.51 123.22 3mhs h ILE 24 Ca 0.18 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 3mhs h ILE 24 Cb 0.08 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3mhs h ILE 24 CO -0.03 0.10 0.04 1.56 0.00 0.00 0.00 178.15 179.82 3mhs h GLN 25 N 0.43 0.59 0.14 2.37 4.20 -0.81 0.22 115.11 122.25 3mhs h GLN 25 Ca 0.12 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3mhs h GLN 25 Cb -0.02 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.67 3mhs h GLN 25 CO -0.02 0.58 -0.07 0.22 -0.67 0.00 0.00 178.83 178.87 3mhs h ASP 26 N 0.56 -0.16 -0.37 1.46 3.58 -0.60 -1.61 116.42 119.29 3mhs h ASP 26 Ca 0.12 -0.22 0.02 0.00 0.42 0.00 0.00 57.03 57.38 3mhs h ASP 26 Cb 0.30 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 3mhs h ASP 26 CO 0.01 0.13 0.20 0.40 -2.88 0.00 0.00 179.24 177.10 3mhs h ILE 27 N -0.46 1.00 -0.51 2.25 2.04 -0.67 -1.70 117.51 119.46 3mhs h ILE 27 Ca -0.02 -0.14 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 3mhs h ILE 27 Cb 0.37 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3mhs h ILE 27 CO 0.03 0.07 0.01 0.58 0.00 0.00 0.00 178.15 178.85 3mhs h VAL 28 N 0.41 1.26 -0.81 1.67 2.07 -0.59 -1.89 116.25 118.37 3mhs h VAL 28 Ca 0.15 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.61 3mhs h VAL 28 Cb 0.04 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3mhs h VAL 28 CO -0.09 0.38 0.52 0.00 0.02 0.00 0.00 177.57 178.40 3mhs h ALA 29 N 0.94 1.40 -0.52 1.67 0.00 -1.02 -0.17 119.26 121.56 3mhs h ALA 29 Ca 0.15 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3mhs h ALA 29 Cb 0.51 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3mhs h ALA 29 CO 0.02 0.54 -0.11 0.00 0.00 0.00 0.00 179.25 179.71 3mhs h ARG 30 N 1.10 1.00 -0.17 0.00 3.08 -0.94 -2.32 114.38 116.13 3mhs h ARG 30 Ca 0.29 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3mhs h ARG 30 Cb -0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3mhs h ARG 30 CO -0.06 1.05 0.01 0.93 -1.07 0.00 0.00 179.97 180.83 3mhs h GLU 31 N 0.86 0.28 -0.36 0.04 4.39 -0.81 -2.31 114.58 116.69 3mhs h GLU 31 Ca 0.13 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.59 3mhs h GLU 31 Cb 0.67 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 3mhs h GLU 31 CO 0.05 0.48 -0.41 1.79 -1.16 0.00 0.00 179.01 179.76 3mhs h THR 32 N 0.05 1.27 -0.54 1.13 1.35 -1.05 -1.76 112.91 113.36 3mhs h THR 32 Ca 0.05 -1.59 -0.05 0.00 -0.55 0.00 0.00 66.41 64.27 3mhs h THR 32 Cb 0.35 1.43 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 3mhs h THR 32 CO 0.01 0.53 0.13 0.71 -0.25 0.00 0.00 175.52 176.65 3mhs h THR 33 N 0.72 1.24 -0.56 6.82 1.35 -1.47 0.40 112.91 121.42 3mhs h THR 33 Ca 0.05 -0.87 -0.03 0.00 -0.55 0.00 0.00 66.41 65.01 3mhs h THR 33 Cb 1.00 0.77 -0.03 0.00 -1.73 0.00 0.00 68.15 68.17 3mhs h THR 33 CO 0.10 0.32 0.25 1.56 -0.25 0.00 0.00 175.52 177.49 3mhs h GLN 34 N 0.77 0.82 -0.21 4.72 4.20 -1.27 -1.45 115.11 122.69 3mhs h GLN 34 Ca 0.17 -0.13 -0.19 0.00 0.06 0.00 0.00 58.65 58.56 3mhs h GLN 34 Cb 0.34 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3mhs h GLN 34 CO 0.00 0.69 -0.63 0.37 -0.67 0.00 0.00 178.83 178.59 3mhs h GLN 35 N 0.76 0.74 -0.50 1.46 5.75 -1.13 -1.24 115.11 120.95 3mhs h GLN 35 Ca 0.19 -0.52 0.05 0.00 -0.15 0.00 0.00 58.65 58.22 3mhs h GLN 35 Cb 0.16 0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.74 3mhs h GLN 35 CO -0.02 1.14 0.23 0.37 -2.65 0.00 0.00 178.83 177.90 3mhs h GLN 36 N 0.55 0.44 -0.14 1.69 4.15 -0.79 -0.27 115.11 120.74 3mhs h GLN 36 Ca -0.01 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 3mhs h GLN 36 Cb 1.22 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.81 3mhs h GLN 36 CO 0.13 0.29 0.07 1.25 -1.93 0.00 0.00 178.83 178.64 3mhs h LEU 37 N 0.46 0.17 -0.52 -2.39 5.85 -1.04 -1.81 115.31 116.03 3mhs h LEU 37 Ca 0.23 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3mhs h LEU 37 Cb 0.17 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3mhs h LEU 37 CO -0.18 0.22 0.25 -0.07 -0.34 0.00 0.00 178.44 178.32 3mhs h LEU 38 N 0.11 0.68 -1.09 2.25 3.38 -0.95 0.39 115.31 120.09 3mhs h LEU 38 Ca 0.05 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3mhs h LEU 38 Cb 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3mhs h LEU 38 CO -0.01 0.62 -0.14 0.11 0.09 0.00 0.00 178.44 179.12 3mhs h LYS 39 N 0.69 0.49 0.01 1.13 1.57 -1.03 0.29 116.57 119.72 3mhs h LYS 39 Ca 0.18 -0.14 -0.19 0.00 -1.87 0.00 0.00 60.65 58.63 3mhs h LYS 39 Cb 0.12 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.40 3mhs h LYS 39 CO -0.02 0.62 -0.74 1.15 -0.57 0.00 0.00 179.45 179.89 3mhs h THR 40 N 0.45 1.40 -0.53 -0.16 2.02 -0.76 -3.23 112.91 112.10 3mhs h THR 40 Ca 0.08 -2.16 -0.09 0.00 0.77 0.00 0.00 66.41 65.01 3mhs h THR 40 Cb 0.51 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 69.49 3mhs h THR 40 CO 0.03 0.64 -0.03 -0.09 0.37 0.00 0.00 175.52 176.44 3mhs h ARG 41 N 0.00 0.92 -2.54 6.66 2.43 -0.05 -3.38 114.38 118.41 3mhs h ARG 41 Ca -0.10 -0.28 -0.60 0.00 -0.81 0.00 0.00 59.98 58.20 3mhs h ARG 41 Cb 1.44 -0.09 -0.40 0.00 -0.42 0.00 0.00 29.97 30.50 3mhs h ARG 41 CO 0.14 0.93 -0.79 0.66 -1.51 0.00 0.00 179.97 179.40 3mhs n TYR 42 N -4.18 1.43 -0.21 2.20 4.01 0.99 -4.97 117.16 116.44 3mhs n TYR 42 Ca 0.02 -3.85 0.20 0.00 -0.16 0.00 0.00 57.90 54.11 3mhs n TYR 42 Cb 0.34 -0.28 0.55 0.00 -0.31 0.00 0.00 39.34 39.63 3mhs n TYR 42 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3mhs h PRO 43 N 5.06 0.32 -0.60 -0.72 0.11 -1.74 0.22 132.00 134.65 3mhs h PRO 43 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3mhs h PRO 43 Cb 0.81 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3mhs h PRO 43 CO 0.59 0.21 0.00 -0.25 -0.21 0.00 0.00 178.00 178.34 3mhs n ASP 44 N -4.47 3.37 -4.56 -2.05 8.00 -1.26 -4.99 116.55 110.59 3mhs n ASP 44 Ca 0.18 -2.12 -0.59 0.00 0.71 0.00 0.00 54.79 52.96 3mhs n ASP 44 Cb 0.70 -0.43 -0.08 0.00 -0.02 0.00 0.00 41.12 41.29 3mhs n ASP 44 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3mhs n LEU 45 N 1.07 0.53 -4.36 0.64 7.94 0.06 -4.98 117.00 117.91 3mhs n LEU 45 Ca 0.20 1.16 -0.25 0.00 -1.11 0.00 0.00 56.01 56.01 3mhs n LEU 45 Cb 0.57 -0.96 -0.12 0.00 0.53 0.00 0.00 43.42 43.44 3mhs n LEU 45 CO 0.15 -1.55 -0.52 -0.13 -1.11 0.00 0.00 177.39 174.24 3mhs s ARG 46 N 0.70 1.34 0.55 1.96 1.81 -1.26 -5.13 118.95 118.91 3mhs s ARG 46 Ca 0.93 -1.39 -0.19 0.00 -1.72 0.00 0.00 55.73 53.35 3mhs s ARG 46 Cb -1.25 -1.58 -0.06 0.00 -0.45 0.00 0.00 34.95 31.61 3mhs s ARG 46 CO 0.60 0.34 1.11 -1.12 -0.68 0.00 0.00 175.30 175.55 3mhs s SER 47 N -2.45 5.76 0.28 0.23 0.01 -1.26 -4.99 113.70 111.28 3mhs s SER 47 Ca 0.15 2.11 -0.30 0.00 1.31 0.00 0.00 55.95 59.23 3mhs s SER 47 Cb -0.08 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.48 3mhs s SER 47 CO 0.07 -1.19 1.43 -0.31 0.41 0.00 0.00 173.24 173.65 3mhs s TYR 48 N -1.87 2.96 0.22 2.43 2.02 -1.26 -4.94 117.35 116.91 3mhs s TYR 48 Ca 0.71 1.11 -0.31 0.00 -0.37 0.00 0.00 57.07 58.21 3mhs s TYR 48 Cb -0.22 -3.83 -0.11 0.00 -0.40 0.00 0.00 41.96 37.40 3mhs s TYR 48 CO 0.27 -2.59 1.57 -0.47 -1.57 0.00 0.00 175.55 172.76 3mhs s TYR 49 N -0.35 2.95 -0.17 2.71 5.04 -0.06 -5.01 117.35 122.45 3mhs s TYR 49 Ca 0.57 0.72 -0.01 0.00 -2.44 0.00 0.00 57.07 55.91 3mhs s TYR 49 Cb -0.42 -3.97 -0.00 0.00 0.35 0.00 0.00 41.96 37.91 3mhs s TYR 49 CO 0.48 -3.42 -0.11 0.12 -1.34 0.00 0.00 175.55 171.27 3mhs s PHE 50 N 0.57 2.85 -0.32 4.97 5.36 -1.26 -4.33 117.98 125.82 3mhs s PHE 50 Ca 0.66 -0.97 -0.07 0.00 -0.96 0.00 0.00 56.93 55.60 3mhs s PHE 50 Cb -0.45 -1.95 0.03 0.00 -0.34 0.00 0.00 43.02 40.30 3mhs s PHE 50 CO 0.38 -0.47 0.10 0.34 -1.46 0.00 0.00 175.22 174.11 3mhs s ASP 51 N 0.97 5.25 0.55 6.13 2.15 -1.26 -4.97 116.67 125.48 3mhs s ASP 51 Ca -0.02 -1.00 0.24 0.00 0.43 0.00 0.00 52.55 52.21 3mhs s ASP 51 Cb -0.15 -1.87 1.48 0.00 -0.30 0.00 0.00 42.92 42.08 3mhs s ASP 51 CO -0.01 -0.28 2.09 1.55 -0.17 0.00 0.00 175.17 178.34 3mhs h PRO 52 N 8.23 0.00 -0.00 4.34 0.13 -1.99 -1.65 132.00 141.06 3mhs h PRO 52 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3mhs h PRO 52 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3mhs h PRO 52 CO 0.60 0.00 -0.01 0.09 -0.23 0.00 0.00 178.00 178.46 3mhs n ASN 53 N -4.18 0.01 -0.67 1.44 3.02 -1.26 -4.93 115.26 108.69 3mhs n ASN 53 Ca 0.03 0.23 -0.08 0.00 -0.03 0.00 0.00 54.58 54.73 3mhs n ASN 53 Cb 0.34 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 3mhs n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mhs n GLY 54 N 1.41 0.84 0.08 7.41 0.00 -0.62 -4.93 105.19 109.39 3mhs n GLY 54 Ca 0.10 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 3mhs n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mhs n SER 55 N 0.66 2.30 -4.87 1.61 7.64 -1.26 -5.03 113.62 114.66 3mhs n SER 55 Ca -0.08 -0.07 -0.34 0.00 1.01 0.00 0.00 58.87 59.39 3mhs n SER 55 Cb 0.32 0.07 -0.05 0.00 -1.01 0.00 0.00 64.21 63.53 3mhs n SER 55 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3mhs s LEU 56 N -5.72 4.34 0.00 -3.43 1.43 -1.26 -4.49 118.68 109.55 3mhs s LEU 56 Ca -0.19 0.74 -0.14 0.00 -1.03 0.00 0.00 54.13 53.52 3mhs s LEU 56 Cb 0.06 -3.00 0.19 0.00 0.03 0.00 0.00 46.19 43.46 3mhs s LEU 56 CO 0.46 0.16 1.02 -0.90 0.23 0.00 0.00 176.35 177.32 3mhs n ASP 57 N 0.80 -0.22 0.02 2.29 5.68 0.20 -4.59 116.55 120.73 3mhs n ASP 57 Ca -0.07 -1.32 0.05 0.00 -0.50 0.00 0.00 54.79 52.94 3mhs n ASP 57 Cb 0.52 -0.80 0.23 0.00 -1.14 0.00 0.00 41.12 39.94 3mhs n ASP 57 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3mhs n ILE 58 N -3.58 1.32 -0.21 2.12 -5.35 -1.26 -0.67 119.36 111.73 3mhs n ILE 58 Ca 0.13 0.35 0.09 0.00 -0.27 0.00 0.00 62.75 63.05 3mhs n ILE 58 Cb 0.45 -1.21 0.23 0.00 -1.74 0.00 0.00 39.64 37.38 3mhs n ILE 58 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3mhs n ASN 59 N -1.58 3.42 -0.50 7.28 5.03 -1.26 -0.88 115.26 126.75 3mhs n ASN 59 Ca 0.02 -1.98 -0.05 0.00 0.87 0.00 0.00 54.58 53.43 3mhs n ASN 59 Cb 0.11 -0.35 -0.01 0.00 -1.02 0.00 0.00 39.78 38.51 3mhs n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3mhs n GLY 60 N 1.12 0.51 3.69 7.41 0.00 0.15 -4.97 105.19 113.10 3mhs n GLY 60 Ca 0.18 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 3mhs n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mhs s LEU 61 N -1.38 3.40 0.75 0.99 1.43 -1.26 -4.78 118.68 117.84 3mhs s LEU 61 Ca 0.00 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.66 3mhs s LEU 61 Cb 0.00 -2.05 0.06 0.00 0.03 0.00 0.00 46.19 44.24 3mhs s LEU 61 CO 0.00 0.09 1.10 -1.10 0.23 0.00 0.00 176.35 176.67 3mhs s GLN 62 N -2.95 2.20 0.16 1.70 -0.21 -1.26 -0.63 119.66 118.67 3mhs s GLN 62 Ca 0.28 0.03 -0.32 0.00 0.02 0.00 0.00 55.36 55.38 3mhs s GLN 62 Cb -0.09 -2.04 -0.10 0.00 1.00 0.00 0.00 33.01 31.77 3mhs s GLN 62 CO 0.19 -1.37 1.57 0.21 -2.12 0.00 0.00 175.29 173.77 3mhs s LYS 63 N -5.42 4.22 0.66 2.91 2.20 -1.26 -4.88 119.74 118.16 3mhs s LYS 63 Ca 0.60 2.36 -0.15 0.00 -0.36 0.00 0.00 55.97 58.42 3mhs s LYS 63 Cb -0.11 -3.17 -0.00 0.00 -1.51 0.00 0.00 37.83 33.04 3mhs s LYS 63 CO 0.48 -0.61 1.11 -1.14 -0.36 0.00 0.00 175.35 174.83 3mhs s GLN 64 N 1.19 2.81 -0.47 4.03 0.74 -1.26 -4.91 119.66 121.80 3mhs s GLN 64 Ca 0.70 1.37 -0.29 0.00 0.05 0.00 0.00 55.36 57.20 3mhs s GLN 64 Cb -0.43 -1.95 0.02 0.00 1.10 0.00 0.00 33.01 31.74 3mhs s GLN 64 CO 0.31 -1.24 1.31 -1.14 -0.55 0.00 0.00 175.29 173.99 3mhs s GLN 65 N -4.12 3.57 -0.10 1.67 0.74 -1.26 -4.97 119.66 115.19 3mhs s GLN 65 Ca 0.67 0.68 -0.01 0.00 0.05 0.00 0.00 55.36 56.75 3mhs s GLN 65 Cb -0.20 -4.01 -0.03 0.00 1.10 0.00 0.00 33.01 29.87 3mhs s GLN 65 CO 0.42 -1.59 -0.03 -2.00 -0.55 0.00 0.00 175.29 171.54 3mhs s GLU 66 N 4.90 3.07 -0.64 1.67 2.56 -1.26 -1.18 118.70 127.81 3mhs s GLU 66 Ca 0.54 -0.48 -0.03 0.00 0.00 0.00 0.00 54.97 55.00 3mhs s GLU 66 Cb -0.11 -2.75 0.15 0.00 2.00 0.00 0.00 34.13 33.42 3mhs s GLU 66 CO 0.31 0.58 2.53 -1.13 -0.56 0.00 0.00 175.26 176.98 3mhs n SER 67 N 2.50 6.89 0.13 -1.70 3.41 -1.26 -5.01 113.62 118.59 3mhs n SER 67 Ca -0.18 -3.37 0.05 0.00 -0.26 0.00 0.00 58.87 55.11 3mhs n SER 67 Cb 0.53 -1.20 0.03 0.00 -0.26 0.00 0.00 64.21 63.31 3mhs n SER 67 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3mhs h SER 68 N 3.18 0.00 -3.52 4.04 0.87 -1.53 -3.47 113.55 113.12 3mhs h SER 68 Ca 0.47 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.52 3mhs h SER 68 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 3mhs h SER 68 CO 1.07 0.36 0.01 -1.10 -0.53 0.00 0.00 176.83 176.64 3mhs s GLN 69 N -3.05 3.76 0.15 2.24 -0.21 -1.23 -5.01 119.66 116.31 3mhs s GLN 69 Ca 0.03 0.33 0.02 0.00 0.02 0.00 0.00 55.36 55.76 3mhs s GLN 69 Cb 0.07 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.54 3mhs s GLN 69 CO 0.75 0.10 -0.04 1.52 -2.12 0.00 0.00 175.29 175.50 3mhs s TYR 70 N -2.18 1.14 -0.03 0.91 -0.85 -1.26 -1.01 117.35 114.07 3mhs s TYR 70 Ca 0.49 -0.93 0.05 0.00 -0.52 0.00 0.00 57.07 56.15 3mhs s TYR 70 Cb -0.11 -0.64 -0.01 0.00 0.38 0.00 0.00 41.96 41.59 3mhs s TYR 70 CO 0.28 -0.13 -0.17 0.42 -1.52 0.00 0.00 175.55 174.43 3mhs s ILE 71 N -3.57 1.39 -0.37 -3.49 -1.09 0.89 -4.77 121.20 110.18 3mhs s ILE 71 Ca 0.19 -0.72 -0.25 0.00 -2.23 0.00 0.00 60.65 57.64 3mhs s ILE 71 Cb 0.05 -1.18 0.01 0.00 -1.58 0.00 0.00 42.46 39.77 3mhs s ILE 71 CO 0.01 0.40 0.89 -2.28 -1.23 0.00 0.00 174.94 172.73 3mhs s HIS 72 N -0.15 3.08 -0.28 3.97 5.65 -1.26 -0.63 115.29 125.67 3mhs s HIS 72 Ca 0.01 0.70 -0.29 0.00 0.25 0.00 0.00 55.06 55.72 3mhs s HIS 72 Cb -0.09 -3.60 0.00 0.00 -1.18 0.00 0.00 32.58 27.71 3mhs s HIS 72 CO 0.01 -0.82 1.27 0.00 -0.65 0.00 0.00 174.74 174.55 3mhs h GLU 74 N 8.93 0.00 0.06 0.00 4.57 -1.95 0.90 114.58 127.09 3mhs h GLU 74 Ca -0.25 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.69 3mhs h GLU 74 Cb 1.09 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 3mhs h GLU 74 CO 1.02 0.03 -1.09 -0.97 -1.18 0.00 0.00 179.01 176.82 3mhs h ASN 75 N 0.00 0.27 0.00 1.04 -1.24 -1.97 -3.39 115.58 110.29 3mhs h ASN 75 Ca -0.00 -0.27 0.00 0.00 0.71 0.00 0.00 56.30 56.74 3mhs h ASN 75 Cb 0.28 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.24 3mhs h ASN 75 CO 0.00 1.18 0.00 0.00 -1.29 0.00 0.00 177.43 177.33 3mhs n GLY 77 N 0.49 0.46 3.88 0.00 0.00 0.30 -5.04 105.19 105.29 3mhs n GLY 77 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3mhs n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mhs s ARG 78 N -0.19 3.69 0.16 1.61 0.52 -1.25 -4.82 118.95 118.67 3mhs s ARG 78 Ca 0.00 0.05 -0.29 0.00 -0.52 0.00 0.00 55.73 54.97 3mhs s ARG 78 Cb 0.00 -2.85 -0.07 0.00 0.52 0.00 0.00 34.95 32.54 3mhs s ARG 78 CO 0.00 0.47 0.93 -0.51 0.02 0.00 0.00 175.30 176.21 3mhs s ASP 79 N -2.22 7.53 -0.03 0.23 1.01 -1.26 -0.61 116.67 121.31 3mhs s ASP 79 Ca 0.40 1.82 0.03 0.00 0.71 0.00 0.00 52.55 55.51 3mhs s ASP 79 Cb -0.12 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.22 3mhs s ASP 79 CO 0.22 0.04 -0.11 -0.69 0.21 0.00 0.00 175.17 174.84 3mhs s VAL 80 N -0.51 0.95 0.23 -1.27 1.01 0.20 -4.96 120.40 116.06 3mhs s VAL 80 Ca 0.43 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.64 3mhs s VAL 80 Cb -0.24 -0.82 -0.12 0.00 0.00 0.00 0.00 36.38 35.20 3mhs s VAL 80 CO 0.30 0.28 1.67 -1.20 0.00 0.00 0.00 175.10 176.16 3mhs n SER 81 N 3.16 3.90 -0.25 3.32 7.64 -1.26 -0.08 113.62 130.05 3mhs n SER 81 Ca -0.17 1.09 0.02 0.00 1.01 0.00 0.00 58.87 60.82 3mhs n SER 81 Cb 0.54 -1.57 0.25 0.00 -1.01 0.00 0.00 64.21 62.42 3mhs n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mhs h ALA 82 N 6.05 1.50 0.00 -0.43 0.00 -1.37 -0.06 119.26 124.95 3mhs h ALA 82 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3mhs h ALA 82 Cb 1.21 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3mhs h ALA 82 CO 0.90 0.43 0.00 0.27 0.00 0.00 0.00 179.25 180.84 3mhs n ASN 83 N -4.44 0.00 -0.11 0.00 0.23 -1.26 -2.21 115.26 107.47 3mhs n ASN 83 Ca 0.10 -1.25 0.04 0.00 -0.53 0.00 0.00 54.58 52.94 3mhs n ASN 83 Cb 0.10 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 37.85 3mhs n ASN 83 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3mhs n ARG 84 N -0.74 1.45 -0.26 -3.83 5.12 -0.05 -4.80 116.66 113.55 3mhs n ARG 84 Ca 0.09 -1.64 -0.07 0.00 -1.93 0.00 0.00 57.85 54.30 3mhs n ARG 84 Cb 0.04 -1.02 0.05 0.00 -1.16 0.00 0.00 32.46 30.37 3mhs n ARG 84 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3mhs h LEU 85 N 0.00 1.08 -0.77 0.55 7.12 -1.31 -0.83 115.31 121.15 3mhs h LEU 85 Ca 0.00 -0.23 -0.02 0.00 0.13 0.00 0.00 57.88 57.76 3mhs h LEU 85 Cb 0.90 -0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 40.71 3mhs h LEU 85 CO 0.00 1.02 0.40 0.00 -0.13 0.00 0.00 178.44 179.73 3mhs h ALA 86 N 1.10 0.99 -0.38 1.25 0.00 -1.87 0.88 119.26 121.22 3mhs h ALA 86 Ca 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3mhs h ALA 86 Cb 0.35 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3mhs h ALA 86 CO -0.00 0.52 0.20 0.00 0.00 0.00 0.00 179.25 179.97 3mhs h ALA 87 N 1.20 0.48 -0.48 0.00 0.00 -1.85 -2.67 119.26 115.94 3mhs h ALA 87 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3mhs h ALA 87 Cb 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3mhs h ALA 87 CO -0.04 0.01 0.31 1.25 0.00 0.00 0.00 179.25 180.79 3mhs h HIS 88 N 0.48 0.61 -0.27 0.00 6.17 -0.64 -2.84 115.15 118.65 3mhs h HIS 88 Ca 0.13 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.20 3mhs h HIS 88 Cb 0.07 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 29.78 3mhs h HIS 88 CO -0.02 0.40 0.07 -0.07 0.71 0.00 0.00 177.93 179.02 3mhs h LEU 89 N 0.65 0.35 -1.48 0.26 3.38 -0.56 0.15 115.31 118.06 3mhs h LEU 89 Ca 0.18 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3mhs h LEU 89 Cb -0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3mhs h LEU 89 CO -0.04 0.35 -0.16 1.56 0.09 0.00 0.00 178.44 180.25 3mhs h GLN 90 N 0.39 0.14 0.00 1.13 4.20 -1.24 0.14 115.11 119.87 3mhs h GLN 90 Ca 0.09 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3mhs h GLN 90 Cb 0.14 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3mhs h GLN 90 CO -0.01 0.31 -0.74 0.54 -0.67 0.00 0.00 178.83 178.26 3mhs n ARG 91 N -4.28 0.08 -0.07 1.46 1.74 -0.35 -4.48 116.66 110.76 3mhs n ARG 91 Ca -0.01 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.98 3mhs n ARG 91 Cb 0.26 -1.53 -0.07 0.00 -1.02 0.00 0.00 32.46 30.11 3mhs n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mhs n LEU 93 N -2.88 0.14 -4.72 0.00 4.77 0.43 -4.84 117.00 109.89 3mhs n LEU 93 Ca -0.24 0.52 -0.29 0.00 -0.03 0.00 0.00 56.01 55.97 3mhs n LEU 93 Cb 0.77 -0.48 0.17 0.00 -2.33 0.00 0.00 43.42 41.55 3mhs n LEU 93 CO 0.14 -0.11 0.68 -0.94 -1.33 0.00 0.00 177.39 175.83 3mhs s SER 94 N -3.25 2.78 0.00 -1.43 1.04 -1.26 -5.10 113.70 106.47 3mhs s SER 94 Ca 0.12 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.54 3mhs s SER 94 Cb 0.16 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 64.72 3mhs s SER 94 CO 0.47 -3.01 0.00 -1.14 0.98 0.00 0.00 173.24 170.54