#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hmn s ASN 4 N 0.00 6.20 0.00 4.38 3.84 -1.26 -4.96 114.94 123.14 2hmn s ASN 4 Ca 0.00 -0.91 0.25 0.00 0.21 0.00 0.00 52.86 52.41 2hmn s ASN 4 Cb 0.00 -2.25 1.13 0.00 -0.55 0.00 0.00 41.25 39.59 2hmn s ASN 4 CO 0.00 -0.73 1.81 2.30 -2.79 0.00 0.00 177.10 177.69 2hmn n ILE 5 N 5.47 0.26 0.07 -5.21 -5.35 -1.26 -0.39 119.36 112.96 2hmn n ILE 5 Ca -0.08 0.07 -0.09 0.00 -0.27 0.00 0.00 62.75 62.38 2hmn n ILE 5 Cb 0.46 -0.64 0.03 0.00 -1.74 0.00 0.00 39.64 37.74 2hmn n ILE 5 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2hmn h GLN 6 N 0.00 0.30 0.04 6.28 7.50 -1.93 -3.35 115.11 123.96 2hmn h GLN 6 Ca 0.00 -0.27 -0.20 0.00 0.50 0.00 0.00 58.65 58.68 2hmn h GLN 6 Cb 0.36 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.93 2hmn h GLN 6 CO 0.00 0.94 -1.05 0.93 -1.50 0.00 0.00 178.83 178.14 2hmn h GLU 7 N 0.19 0.09 -5.27 1.46 5.08 -1.77 -3.40 114.58 110.96 2hmn h GLU 7 Ca -0.04 -0.15 -0.70 0.00 -1.00 0.00 0.00 59.36 57.48 2hmn h GLU 7 Cb 1.36 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 30.53 2hmn h GLU 7 CO 0.13 1.07 1.54 -0.51 -1.00 0.00 0.00 179.01 180.24 2hmn s ASP 8 N -6.78 6.87 0.61 1.42 1.01 0.48 -4.84 116.67 115.44 2hmn s ASP 8 Ca -0.24 -2.52 0.39 0.00 0.71 0.00 0.00 52.55 50.90 2hmn s ASP 8 Cb 0.03 -2.47 1.86 0.00 1.01 0.00 0.00 42.92 43.36 2hmn s ASP 8 CO 0.68 -1.01 2.17 0.11 0.21 0.00 0.00 175.17 177.33 2hmn h LYS 9 N 7.83 0.00 -0.01 8.23 1.79 -1.79 -2.14 116.57 130.49 2hmn h LYS 9 Ca 0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 2hmn h LYS 9 Cb 0.91 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2hmn h LYS 9 CO 1.31 0.00 -0.23 1.28 -1.08 0.00 0.00 179.45 180.73 2hmn n LEU 10 N -3.08 0.90 -4.74 2.94 4.77 -1.26 -4.90 117.00 111.63 2hmn n LEU 10 Ca -0.01 -0.20 -0.37 0.00 -0.03 0.00 0.00 56.01 55.40 2hmn n LEU 10 Cb 0.20 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 2hmn n LEU 10 CO 0.24 0.17 0.02 -0.69 -1.33 0.00 0.00 177.39 175.80 2hmn s VAL 11 N -2.51 5.27 0.52 4.08 1.01 -0.80 -5.07 120.40 122.91 2hmn s VAL 11 Ca 0.25 0.64 -0.17 0.00 0.00 0.00 0.00 61.98 62.69 2hmn s VAL 11 Cb 0.19 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.84 2hmn s VAL 11 CO 0.51 0.39 1.01 -0.94 0.00 0.00 0.00 175.10 176.08 2hmn s SER 12 N 0.36 6.38 0.25 3.32 1.04 -1.26 -4.87 113.70 118.92 2hmn s SER 12 Ca 0.19 1.71 -0.04 0.00 0.48 0.00 0.00 55.95 58.28 2hmn s SER 12 Cb -0.14 -2.53 0.38 0.00 0.10 0.00 0.00 66.02 63.83 2hmn s SER 12 CO 0.06 -0.75 1.84 0.00 0.98 0.00 0.00 173.24 175.37 2hmn h ALA 13 N 1.00 1.23 -0.10 5.32 0.00 -1.98 -1.44 119.26 123.29 2hmn h ALA 13 Ca -0.47 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.44 2hmn h ALA 13 Cb 1.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2hmn h ALA 13 CO 0.60 0.25 0.05 1.25 0.00 0.00 0.00 179.25 181.39 2hmn h HIS 14 N 0.95 0.09 -0.82 0.00 -0.00 -2.00 -1.55 115.15 111.82 2hmn h HIS 14 Ca 0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.74 2hmn h HIS 14 Cb 0.24 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.59 2hmn h HIS 14 CO -0.03 0.05 0.37 -0.44 -0.00 0.00 0.00 177.93 177.88 2hmn h ASP 15 N 0.10 1.09 -0.74 3.26 3.32 -1.84 -2.31 116.42 119.30 2hmn h ASP 15 Ca 0.04 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2hmn h ASP 15 Cb 0.01 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 2hmn h ASP 15 CO -0.03 0.94 0.41 0.00 -1.72 0.00 0.00 179.24 178.83 2hmn h ALA 16 N 1.20 0.94 -0.69 3.45 0.00 -1.09 -2.13 119.26 120.93 2hmn h ALA 16 Ca 0.28 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2hmn h ALA 16 Cb 0.15 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2hmn h ALA 16 CO -0.03 0.45 0.42 0.93 0.00 0.00 0.00 179.25 181.02 2hmn h GLU 17 N 1.01 0.77 -0.10 0.00 5.08 -0.91 -2.84 114.58 117.59 2hmn h GLU 17 Ca 0.26 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.42 2hmn h GLU 17 Cb 0.03 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2hmn h GLU 17 CO -0.04 0.51 -0.58 0.93 -1.00 0.00 0.00 179.01 178.82 2hmn h GLU 18 N 0.79 0.32 -0.22 2.33 4.39 -1.16 -2.92 114.58 118.12 2hmn h GLU 18 Ca 0.29 -0.21 0.04 0.00 0.34 0.00 0.00 59.36 59.82 2hmn h GLU 18 Cb 0.09 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 2hmn h GLU 18 CO -0.14 0.81 -0.04 0.82 -1.16 0.00 0.00 179.01 179.31 2hmn h ILE 19 N 0.24 0.80 -0.78 3.13 1.08 -1.27 -3.04 117.51 117.68 2hmn h ILE 19 Ca -0.00 -0.01 0.10 0.00 -0.39 0.00 0.00 64.86 64.56 2hmn h ILE 19 Cb 1.09 0.77 -0.05 0.00 -3.07 0.00 0.00 36.82 35.56 2hmn h ILE 19 CO 0.10 0.00 0.51 0.25 -0.69 0.00 0.00 178.15 178.32 2hmn h LEU 20 N 0.03 0.64 -1.36 1.44 5.85 -1.31 -1.78 115.31 118.80 2hmn h LEU 20 Ca 0.11 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2hmn h LEU 20 Cb 0.15 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2hmn h LEU 20 CO -0.21 0.38 0.46 -0.09 -0.34 0.00 0.00 178.44 178.64 2hmn h ARG 21 N 0.70 0.79 0.00 1.25 2.43 -1.44 -3.07 114.38 115.05 2hmn h ARG 21 Ca 0.36 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 2hmn h ARG 21 Cb 0.46 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2hmn h ARG 21 CO -0.14 0.53 -1.73 1.19 -1.51 0.00 0.00 179.97 178.31 2hmn n PHE 22 N -4.46 0.05 0.07 2.20 3.72 -0.71 -4.24 117.46 114.08 2hmn n PHE 22 Ca 0.09 0.01 -0.05 0.00 -0.05 0.00 0.00 57.45 57.46 2hmn n PHE 22 Cb 0.14 -0.41 -0.09 0.00 -0.94 0.00 0.00 39.48 38.18 2hmn n PHE 22 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 2hmn h PHE 23 N 0.00 0.00 0.64 1.38 -1.00 -1.42 -3.40 116.94 113.14 2hmn h PHE 23 Ca 0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 2hmn h PHE 23 Cb 0.89 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.46 2hmn h PHE 23 CO 0.00 0.86 -0.31 -0.91 -1.61 0.00 0.00 178.31 176.35 2hmn h ASN 24 N 0.00 -0.72 -3.27 2.17 2.35 -1.71 -3.43 115.58 110.96 2hmn h ASN 24 Ca -0.04 -0.01 -0.67 0.00 -0.55 0.00 0.00 56.30 55.04 2hmn h ASN 24 Cb 1.69 0.19 -0.31 0.00 0.05 0.00 0.00 38.32 39.94 2hmn h ASN 24 CO 0.11 -0.36 -0.81 0.00 -1.65 0.00 0.00 177.43 174.72 2hmn s HIS 26 N 0.80 3.17 -0.41 0.00 2.46 -1.26 -4.88 115.29 115.17 2hmn s HIS 26 Ca -0.06 -0.13 0.04 0.00 0.47 0.00 0.00 55.06 55.39 2hmn s HIS 26 Cb -0.15 -2.24 0.11 0.00 -0.13 0.00 0.00 32.58 30.17 2hmn s HIS 26 CO -0.00 -0.16 0.13 0.34 -2.47 0.00 0.00 174.74 172.58 2hmn s ASP 27 N 1.31 4.59 0.33 9.88 -1.08 -1.26 -4.99 116.67 125.45 2hmn s ASP 27 Ca 0.06 -2.50 0.07 0.00 -0.52 0.00 0.00 52.55 49.65 2hmn s ASP 27 Cb -0.15 -1.63 0.74 0.00 -1.46 0.00 0.00 42.92 40.42 2hmn s ASP 27 CO 0.05 -0.32 1.84 0.28 0.52 0.00 0.00 175.17 177.54 2hmn h SER 28 N 7.17 0.75 -0.46 -0.34 0.02 -1.96 -1.48 113.55 117.23 2hmn h SER 28 Ca -0.06 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 2hmn h SER 28 Cb 0.97 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 2hmn h SER 28 CO 0.59 0.36 0.06 0.00 -1.14 0.00 0.00 176.83 176.70 2hmn h ALA 29 N 1.59 1.13 -0.26 3.77 0.00 -2.00 -2.40 119.26 121.10 2hmn h ALA 29 Ca 0.49 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 2hmn h ALA 29 Cb 0.71 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2hmn h ALA 29 CO -0.25 0.57 -0.22 1.25 0.00 0.00 0.00 179.25 180.60 2hmn h LEU 30 N 0.80 0.47 -0.56 0.00 5.85 -1.67 -0.99 115.31 119.21 2hmn h LEU 30 Ca 0.16 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 2hmn h LEU 30 Cb 0.39 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2hmn h LEU 30 CO 0.01 0.69 -0.25 1.56 -0.34 0.00 0.00 178.44 180.11 2hmn h GLN 31 N 0.42 0.89 -0.26 1.25 1.08 -1.18 -0.94 115.11 116.37 2hmn h GLN 31 Ca 0.07 -0.39 -0.02 0.00 -1.45 0.00 0.00 58.65 56.86 2hmn h GLN 31 Cb 0.62 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 2hmn h GLN 31 CO 0.04 1.04 0.07 1.96 -0.95 0.00 0.00 178.83 180.99 2hmn h GLN 32 N 0.76 0.41 -0.51 1.46 7.50 -1.07 0.56 115.11 124.22 2hmn h GLN 32 Ca 0.10 -0.09 0.05 0.00 0.50 0.00 0.00 58.65 59.20 2hmn h GLN 32 Cb 0.80 -0.06 -0.05 0.00 0.05 0.00 0.00 27.48 28.23 2hmn h GLN 32 CO 0.07 0.50 0.24 1.49 -1.50 0.00 0.00 178.83 179.62 2hmn h GLU 33 N 0.26 0.45 -0.59 1.46 4.81 -1.07 -1.44 114.58 118.46 2hmn h GLU 33 Ca 0.08 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2hmn h GLU 33 Cb 0.26 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 2hmn h GLU 33 CO -0.00 0.30 0.33 0.00 -0.73 0.00 0.00 179.01 178.91 2hmn h ALA 34 N 1.30 0.75 -0.45 2.92 0.00 -0.99 -0.72 119.26 122.07 2hmn h ALA 34 Ca 0.23 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2hmn h ALA 34 Cb 0.18 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2hmn h ALA 34 CO -0.19 0.25 0.18 1.15 0.00 0.00 0.00 179.25 180.65 2hmn h THR 35 N 0.79 0.90 0.04 0.00 2.02 -0.46 -1.19 112.91 115.01 2hmn h THR 35 Ca 0.21 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 2hmn h THR 35 Cb 0.02 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2hmn h THR 35 CO -0.04 0.07 -0.02 0.74 0.37 0.00 0.00 175.52 176.64 2hmn h THR 36 N 0.37 0.97 -0.65 3.16 2.02 -0.89 -0.61 112.91 117.28 2hmn h THR 36 Ca 0.20 -0.02 0.10 0.00 0.77 0.00 0.00 66.41 67.46 2hmn h THR 36 Cb 0.17 0.98 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 2hmn h THR 36 CO -0.18 0.01 0.27 -0.07 0.37 0.00 0.00 175.52 175.91 2hmn h LEU 37 N -0.07 0.29 -0.14 2.58 3.38 -0.85 -0.57 115.31 119.93 2hmn h LEU 37 Ca -0.01 0.08 -0.23 0.00 0.09 0.00 0.00 57.88 57.81 2hmn h LEU 37 Cb 0.05 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2hmn h LEU 37 CO 0.01 0.16 -0.98 -0.07 0.09 0.00 0.00 178.44 177.66 2hmn h LEU 38 N 0.46 0.50 -0.53 1.67 3.38 -1.07 -1.39 115.31 118.34 2hmn h LEU 38 Ca 0.33 -0.42 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 2hmn h LEU 38 Cb 0.41 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2hmn h LEU 38 CO -0.31 1.23 -0.12 0.74 0.09 0.00 0.00 178.44 180.07 2hmn h THR 39 N 0.20 1.27 -0.45 0.22 2.02 -0.83 -1.28 112.91 114.07 2hmn h THR 39 Ca -0.08 -1.28 -0.14 0.00 0.77 0.00 0.00 66.41 65.68 2hmn h THR 39 Cb 1.62 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 2hmn h THR 39 CO 0.17 0.45 -0.25 1.56 0.37 0.00 0.00 175.52 177.82 2hmn h GLN 40 N 0.89 0.96 -0.22 6.66 4.20 -1.09 -0.87 115.11 125.64 2hmn h GLN 40 Ca 0.13 -0.43 0.02 0.00 0.06 0.00 0.00 58.65 58.43 2hmn h GLN 40 Cb 0.69 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 2hmn h GLN 40 CO 0.05 1.10 0.08 1.49 -0.67 0.00 0.00 178.83 180.88 2hmn h GLU 41 N 0.80 0.17 -0.30 1.46 4.81 -1.17 -1.63 114.58 118.72 2hmn h GLU 41 Ca 0.10 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2hmn h GLU 41 Cb 0.83 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 2hmn h GLU 41 CO 0.07 0.12 -0.09 0.00 -0.73 0.00 0.00 179.01 178.38 2hmn h ALA 42 N 1.13 1.30 0.00 2.92 0.00 -1.06 -1.44 119.26 122.10 2hmn h ALA 42 Ca 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2hmn h ALA 42 Cb 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2hmn h ALA 42 CO -0.09 0.47 -0.00 1.25 0.00 0.00 0.00 179.25 180.87 2hmn h HIS 43 N 0.46 -0.00 -0.69 0.00 -0.00 -0.77 0.16 115.15 114.30 2hmn h HIS 43 Ca 0.09 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.53 2hmn h HIS 43 Cb 0.44 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.79 2hmn h HIS 43 CO 0.01 0.18 0.37 -0.07 -0.00 0.00 0.00 177.93 178.42 2hmn h LEU 44 N -0.18 0.52 -0.47 0.26 3.38 -1.08 -1.96 115.31 115.78 2hmn h LEU 44 Ca -0.00 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2hmn h LEU 44 Cb 0.18 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2hmn h LEU 44 CO 0.00 0.32 -0.03 -0.07 0.09 0.00 0.00 178.44 178.75 2hmn h LEU 45 N 0.66 0.83 -1.49 1.67 3.38 -1.15 -1.30 115.31 117.91 2hmn h LEU 45 Ca 0.32 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2hmn h LEU 45 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2hmn h LEU 45 CO -0.22 0.96 0.04 0.44 0.09 0.00 0.00 178.44 179.75 2hmn h ASP 46 N 0.69 0.34 -0.20 -0.43 3.32 -0.47 -0.85 116.42 118.82 2hmn h ASP 46 Ca 0.13 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2hmn h ASP 46 Cb 0.55 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2hmn h ASP 46 CO 0.03 0.37 0.00 2.30 -1.72 0.00 0.00 179.24 180.22 2hmn n ILE 47 N -4.37 0.25 -2.59 0.35 -5.35 -0.78 -4.23 119.36 102.65 2hmn n ILE 47 Ca 0.01 -0.42 -0.15 0.00 -0.27 0.00 0.00 62.75 61.91 2hmn n ILE 47 Cb 0.18 0.53 0.01 0.00 -1.74 0.00 0.00 39.64 38.63 2hmn n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2hmn n GLN 48 N 0.58 -2.53 -1.80 6.28 6.02 -0.32 -4.92 117.38 120.68 2hmn n GLN 48 Ca 0.17 0.65 -0.41 0.00 -0.01 0.00 0.00 57.00 57.40 2hmn n GLN 48 Cb 0.39 -4.94 -0.01 0.00 1.02 0.00 0.00 30.24 26.71 2hmn n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hmn n ALA 49 N -2.50 6.39 0.07 -1.58 0.00 -0.52 -4.76 120.51 117.61 2hmn n ALA 49 Ca -0.11 -3.92 -0.00 0.00 0.00 0.00 0.00 53.44 49.40 2hmn n ALA 49 Cb 0.60 -3.20 0.29 0.00 0.00 0.00 0.00 19.45 17.14 2hmn n ALA 49 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2hmn h TYR 50 N 5.33 0.36 -0.28 0.00 0.05 -1.91 -0.27 116.97 120.25 2hmn h TYR 50 Ca 0.65 -0.06 -0.07 0.00 0.05 0.00 0.00 58.73 59.29 2hmn h TYR 50 Cb 0.46 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 2hmn h TYR 50 CO 1.57 0.53 -0.12 0.00 -1.05 0.00 0.00 178.16 179.10 2hmn h ARG 51 N 0.30 0.57 -0.94 4.88 3.08 -1.94 -1.93 114.38 118.40 2hmn h ARG 51 Ca 0.05 -0.24 0.05 0.00 0.07 0.00 0.00 59.98 59.91 2hmn h ARG 51 Cb 0.55 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.53 2hmn h ARG 51 CO 0.04 0.80 0.62 0.00 -1.07 0.00 0.00 179.97 180.36 2hmn h ALA 52 N 0.75 1.43 0.20 0.04 0.00 -1.89 -0.13 119.26 119.66 2hmn h ALA 52 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2hmn h ALA 52 Cb 0.62 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2hmn h ALA 52 CO 0.04 0.46 -0.10 2.35 0.00 0.00 0.00 179.25 182.00 2hmn h TRP 53 N 1.15 -0.25 -0.39 0.00 7.01 -0.85 0.49 115.95 123.11 2hmn h TRP 53 Ca 0.39 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.45 2hmn h TRP 53 Cb 0.08 0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 27.16 2hmn h TRP 53 CO -0.00 -0.08 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.48 2hmn h LEU 54 N -0.37 -0.21 -0.57 0.65 3.38 -1.03 0.31 115.31 117.46 2hmn h LEU 54 Ca -0.03 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2hmn h LEU 54 Cb 0.29 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2hmn h LEU 54 CO 0.05 -0.07 0.15 -0.33 0.09 0.00 0.00 178.44 178.33 2hmn h GLU 55 N 0.07 0.91 0.00 1.13 5.08 -0.85 -3.01 114.58 117.91 2hmn h GLU 55 Ca 0.19 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2hmn h GLU 55 Cb 0.28 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2hmn h GLU 55 CO -0.34 0.84 -2.06 1.58 -1.00 0.00 0.00 179.01 178.03 2hmn n HIS 56 N -4.39 0.00 0.05 4.33 -0.00 0.15 -4.67 115.22 110.69 2hmn n HIS 56 Ca 0.03 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.23 2hmn n HIS 56 Cb 0.23 -0.62 -0.03 0.00 -0.12 0.00 0.00 29.99 29.45 2hmn n HIS 56 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2hmn s VAL 58 N -1.98 2.43 0.47 0.00 1.01 -1.14 -0.24 120.40 120.95 2hmn s VAL 58 Ca -0.01 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 60.92 2hmn s VAL 58 Cb 0.03 -2.01 -0.09 0.00 0.00 0.00 0.00 36.38 34.30 2hmn s VAL 58 CO 0.16 0.52 1.03 -0.83 0.00 0.00 0.00 175.10 175.98 2hmn s GLY 59 N 0.93 2.53 0.53 4.51 0.00 0.42 -4.77 107.32 111.47 2hmn s GLY 59 Ca -0.04 0.61 0.21 0.00 0.00 0.00 0.00 44.72 45.50 2hmn s GLY 59 CO -0.03 0.94 2.15 1.48 0.00 0.00 0.00 173.10 177.64 2hmn h SER 60 N 1.73 0.00 -0.46 1.64 4.64 -1.95 -2.03 113.55 117.11 2hmn h SER 60 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2hmn h SER 60 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2hmn h SER 60 CO 0.60 0.04 0.00 -1.84 -0.87 0.00 0.00 176.83 174.75 2hmn n GLU 61 N -4.22 4.03 -1.80 4.77 0.00 -1.26 -4.41 120.64 117.75 2hmn n GLU 61 Ca -0.03 -2.49 -0.38 0.00 0.00 0.00 0.00 57.16 54.26 2hmn n GLU 61 Cb 0.12 -2.08 0.04 0.00 0.00 0.00 0.00 31.44 29.52 2hmn n GLU 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2hmn s VAL 62 N -2.35 2.11 -0.22 3.84 0.11 -0.77 -4.88 120.40 118.25 2hmn s VAL 62 Ca 0.43 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.57 2hmn s VAL 62 Cb 0.33 -3.04 0.03 0.00 -1.53 0.00 0.00 36.38 32.16 2hmn s VAL 62 CO 0.13 -0.00 -0.14 -1.58 -3.33 0.00 0.00 175.10 170.19 2hmn s GLN 63 N -2.92 2.79 -0.37 1.54 0.74 -0.77 -4.12 119.66 116.55 2hmn s GLN 63 Ca 0.72 -0.98 -0.05 0.00 0.05 0.00 0.00 55.36 55.10 2hmn s GLN 63 Cb -0.40 -2.77 0.07 0.00 1.10 0.00 0.00 33.01 31.02 2hmn s GLN 63 CO 0.47 -0.34 0.15 -0.47 -0.55 0.00 0.00 175.29 174.55 2hmn s TYR 64 N 1.26 3.39 -0.06 1.67 6.14 -0.13 -1.32 117.35 128.29 2hmn s TYR 64 Ca 0.00 -1.88 0.02 0.00 0.64 0.00 0.00 57.07 55.86 2hmn s TYR 64 Cb -0.16 -2.72 0.02 0.00 0.42 0.00 0.00 41.96 39.52 2hmn s TYR 64 CO -0.08 -0.86 -0.10 -1.14 0.64 0.00 0.00 175.55 174.01 2hmn s GLN 65 N 1.29 1.47 -0.10 4.97 0.74 0.15 -0.65 119.66 127.53 2hmn s GLN 65 Ca 0.02 -0.32 -0.00 0.00 0.05 0.00 0.00 55.36 55.10 2hmn s GLN 65 Cb -0.22 -1.28 0.02 0.00 1.10 0.00 0.00 33.01 32.64 2hmn s GLN 65 CO -0.01 -0.03 -0.06 0.08 -0.55 0.00 0.00 175.29 174.72 2hmn s VAL 66 N 0.83 0.90 0.25 1.34 1.01 -0.45 -1.29 120.40 122.99 2hmn s VAL 66 Ca -0.12 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.73 2hmn s VAL 66 Cb -0.15 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2hmn s VAL 66 CO 0.02 0.34 0.14 0.27 0.00 0.00 0.00 175.10 175.87 2hmn s ILE 67 N 1.71 4.16 -0.13 2.22 -4.36 0.04 -0.19 121.20 124.66 2hmn s ILE 67 Ca 0.04 -1.55 -0.00 0.00 -0.26 0.00 0.00 60.65 58.88 2hmn s ILE 67 Cb -0.13 -3.24 0.03 0.00 1.25 0.00 0.00 42.46 40.37 2hmn s ILE 67 CO -0.07 -0.36 -0.09 -0.55 0.24 0.00 0.00 174.94 174.11 2hmn s SER 68 N -3.79 2.35 -0.18 4.36 0.15 -0.56 -0.96 113.70 115.08 2hmn s SER 68 Ca 0.32 -0.38 -0.15 0.00 0.70 0.00 0.00 55.95 56.45 2hmn s SER 68 Cb -0.07 -0.93 -0.04 0.00 -1.71 0.00 0.00 66.02 63.27 2hmn s SER 68 CO 0.23 -0.11 0.33 -0.60 1.20 0.00 0.00 173.24 174.29 2hmn s ARG 69 N 1.65 4.23 0.42 5.44 3.52 -1.26 -1.61 118.95 131.34 2hmn s ARG 69 Ca 0.05 0.12 -0.26 0.00 -0.13 0.00 0.00 55.73 55.51 2hmn s ARG 69 Cb -0.13 -3.47 -0.09 0.00 -1.56 0.00 0.00 34.95 29.70 2hmn s ARG 69 CO -0.09 0.13 1.41 -2.00 -0.81 0.00 0.00 175.30 173.94 2hmn s GLU 70 N 0.79 3.86 -0.19 5.12 2.12 -0.26 -4.93 118.70 125.20 2hmn s GLU 70 Ca 0.17 2.39 -0.29 0.00 0.36 0.00 0.00 54.97 57.60 2hmn s GLU 70 Cb -0.14 -2.76 -0.01 0.00 0.26 0.00 0.00 34.13 31.48 2hmn s GLU 70 CO 0.06 -0.66 1.32 -0.51 -0.54 0.00 0.00 175.26 174.92 2hmn s LEU 71 N -2.49 4.10 0.17 2.70 1.43 -1.26 -5.00 118.68 118.32 2hmn s LEU 71 Ca 0.58 1.61 0.06 0.00 -1.03 0.00 0.00 54.13 55.35 2hmn s LEU 71 Cb -0.43 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 2hmn s LEU 71 CO 0.56 -0.88 -0.12 -0.13 0.23 0.00 0.00 176.35 176.01 2hmn s ARG 72 N 3.77 1.16 0.31 1.70 1.81 -1.26 -5.12 118.95 121.32 2hmn s ARG 72 Ca 0.57 -1.49 -0.29 0.00 -1.72 0.00 0.00 55.73 52.81 2hmn s ARG 72 Cb -0.21 -0.84 -0.10 0.00 -0.45 0.00 0.00 34.95 33.34 2hmn s ARG 72 CO 0.18 0.13 1.38 0.00 -0.68 0.00 0.00 175.30 176.31 2hmn s ALA 73 N -3.09 3.55 0.43 2.13 0.00 -1.26 -4.88 121.76 118.64 2hmn s ALA 73 Ca 0.18 1.33 0.14 0.00 0.00 0.00 0.00 51.96 53.61 2hmn s ALA 73 Cb 0.01 -3.52 1.02 0.00 0.00 0.00 0.00 23.12 20.63 2hmn s ALA 73 CO 0.03 -0.74 1.96 0.00 0.00 0.00 0.00 175.76 177.01 2hmn h ALA 74 N 3.80 2.03 -0.25 0.00 0.00 -2.03 -0.46 119.26 122.36 2hmn h ALA 74 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2hmn h ALA 74 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2hmn h ALA 74 CO 0.69 -0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.62 2hmn n SER 75 N -4.47 1.78 -4.71 0.00 3.41 -1.26 -4.95 113.62 103.41 2hmn n SER 75 Ca 0.11 -1.83 -0.42 0.00 -0.26 0.00 0.00 58.87 56.48 2hmn n SER 75 Cb 0.41 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 2hmn n SER 75 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2hmn s GLU 76 N -1.68 4.28 0.00 4.33 2.56 -0.18 -4.88 118.70 123.12 2hmn s GLU 76 Ca 0.29 2.15 0.00 0.00 0.00 0.00 0.00 54.97 57.41 2hmn s GLU 76 Cb 0.15 -3.33 0.00 0.00 2.00 0.00 0.00 34.13 32.96 2hmn s GLU 76 CO 0.22 -0.53 0.00 2.89 -0.56 0.00 0.00 175.26 177.28 2hmn n ARG 77 N 4.39 2.48 -0.10 4.30 0.00 -1.26 -4.92 116.66 121.55 2hmn n ARG 77 Ca 0.13 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.81 2hmn n ARG 77 Cb 0.41 -0.23 -0.09 0.00 -0.00 0.00 0.00 32.46 32.56 2hmn n ARG 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2hmn n ARG 78 N -0.34 0.48 -2.28 2.89 1.74 -1.26 -4.96 116.66 112.93 2hmn n ARG 78 Ca 0.00 0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 2hmn n ARG 78 Cb 0.00 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 2hmn n ARG 78 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2hmn s TYR 79 N -2.40 2.86 0.00 -1.55 5.04 -1.26 -4.91 117.35 115.14 2hmn s TYR 79 Ca -0.28 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.23 2hmn s TYR 79 Cb 0.08 -3.61 0.00 0.00 0.35 0.00 0.00 41.96 38.78 2hmn s TYR 79 CO 0.43 -2.21 0.60 1.17 -1.34 0.00 0.00 175.55 174.20 2hmn n LYS 80 N 5.62 0.46 -1.80 4.97 3.00 -1.26 -5.07 118.16 124.08 2hmn n LYS 80 Ca 0.13 -0.76 -0.29 0.00 -0.00 0.00 0.00 58.31 57.38 2hmn n LYS 80 Cb 0.44 -0.91 0.08 0.00 0.00 0.00 0.00 35.03 34.65 2hmn n LYS 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2hmn s LEU 81 N -0.32 2.57 -0.31 3.14 1.43 -1.26 -4.83 118.68 119.10 2hmn s LEU 81 Ca 0.00 0.98 -0.28 0.00 -1.03 0.00 0.00 54.13 53.80 2hmn s LEU 81 Cb 0.00 -3.56 -0.12 0.00 0.03 0.00 0.00 46.19 42.54 2hmn s LEU 81 CO 0.00 -1.83 1.20 0.59 0.23 0.00 0.00 176.35 176.53 2hmn n ASN 82 N -3.30 0.57 0.13 2.29 5.03 -1.26 -4.82 115.26 113.91 2hmn n ASN 82 Ca 0.07 0.54 0.01 0.00 0.87 0.00 0.00 54.58 56.08 2hmn n ASN 82 Cb 0.59 -0.55 0.08 0.00 -1.02 0.00 0.00 39.78 38.87 2hmn n ASN 82 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2hmn h GLU 83 N 4.62 0.00 -4.05 3.52 5.08 -1.97 -3.47 114.58 118.31 2hmn h GLU 83 Ca -0.14 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 2hmn h GLU 83 Cb 0.87 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.97 2hmn h GLU 83 CO 0.65 0.58 -0.51 0.00 -1.00 0.00 0.00 179.01 178.73 2hmn s ALA 84 N -3.10 0.20 0.30 3.43 0.00 -1.26 -1.10 121.76 120.23 2hmn s ALA 84 Ca 0.02 -0.97 0.10 0.00 0.00 0.00 0.00 51.96 51.12 2hmn s ALA 84 Cb 0.09 0.49 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 2hmn s ALA 84 CO 0.75 -0.47 -0.09 0.00 0.00 0.00 0.00 175.76 175.95 2hmn s MET 85 N -3.92 1.93 -0.44 0.00 0.23 -0.63 -4.96 119.30 111.51 2hmn s MET 85 Ca 0.09 -1.72 -0.15 0.00 -1.03 0.00 0.00 55.69 52.88 2hmn s MET 85 Cb 0.06 -1.88 0.04 0.00 -1.53 0.00 0.00 34.83 31.53 2hmn s MET 85 CO -0.08 0.26 0.35 -0.80 -2.03 0.00 0.00 175.02 172.71 2hmn s ASN 86 N -3.61 6.13 0.11 -1.18 0.01 -1.26 -1.50 114.94 113.64 2hmn s ASN 86 Ca 0.32 -1.10 -0.16 0.00 -0.71 0.00 0.00 52.86 51.21 2hmn s ASN 86 Cb -0.03 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 2hmn s ASN 86 CO 0.17 -0.54 1.56 0.58 -1.51 0.00 0.00 177.10 177.36 2hmn h VAL 87 N 5.69 1.25 -4.10 1.60 2.07 -0.91 -3.43 116.25 118.42 2hmn h VAL 87 Ca -0.28 -0.94 -0.48 0.00 0.82 0.00 0.00 66.70 65.83 2hmn h VAL 87 Cb 1.12 1.18 -0.26 0.00 -1.52 0.00 0.00 31.29 31.80 2hmn h VAL 87 CO 0.80 0.31 -0.81 -0.31 0.02 0.00 0.00 177.57 177.58 2hmn s TYR 88 N -5.05 1.33 -0.49 1.57 2.02 -0.89 -4.94 117.35 110.89 2hmn s TYR 88 Ca -0.13 -0.33 0.06 0.00 -0.37 0.00 0.00 57.07 56.31 2hmn s TYR 88 Cb 0.09 -0.81 0.22 0.00 -0.40 0.00 0.00 41.96 41.06 2hmn s TYR 88 CO 0.77 0.03 0.77 -1.71 -1.57 0.00 0.00 175.55 173.85 2hmn n ASN 89 N 2.11 -2.88 -4.59 2.29 5.15 -1.16 -1.33 115.26 114.86 2hmn n ASN 89 Ca -0.17 -3.06 -0.34 0.00 -0.60 0.00 0.00 54.58 50.41 2hmn n ASN 89 Cb 0.55 1.56 -0.11 0.00 -0.53 0.00 0.00 39.78 41.25 2hmn n ASN 89 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2hmn s GLU 90 N 0.65 3.07 0.79 1.20 0.41 0.18 -4.89 118.70 120.11 2hmn s GLU 90 Ca 0.31 -0.50 -0.05 0.00 -0.41 0.00 0.00 54.97 54.32 2hmn s GLU 90 Cb 0.12 -2.74 0.15 0.00 -1.78 0.00 0.00 34.13 29.88 2hmn s GLU 90 CO -0.15 0.56 1.09 0.54 -0.49 0.00 0.00 175.26 176.81 2hmn s ASN 91 N -0.51 3.98 0.19 -0.19 2.20 -1.26 -0.95 114.94 118.40 2hmn s ASN 91 Ca 0.08 -0.16 -0.11 0.00 -0.94 0.00 0.00 52.86 51.72 2hmn s ASN 91 Cb -0.12 -0.12 0.18 0.00 -2.00 0.00 0.00 41.25 39.19 2hmn s ASN 91 CO 0.02 -2.12 1.81 0.15 -2.94 0.00 0.00 177.10 174.02 2hmn h PHE 92 N -0.87 0.62 -0.82 1.54 3.04 -1.77 -0.54 116.94 118.14 2hmn h PHE 92 Ca -0.39 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.57 2hmn h PHE 92 Cb 1.26 -0.19 -0.04 0.00 2.56 0.00 0.00 35.95 39.54 2hmn h PHE 92 CO -0.48 0.32 0.44 0.37 -2.02 0.00 0.00 178.31 176.95 2hmn h GLN 93 N 0.64 1.15 -0.52 1.11 5.75 -1.95 0.75 115.11 122.05 2hmn h GLN 93 Ca 0.26 -0.13 -0.12 0.00 -0.15 0.00 0.00 58.65 58.50 2hmn h GLN 93 Cb 0.12 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 2hmn h GLN 93 CO -0.15 0.85 -0.15 1.96 -2.65 0.00 0.00 178.83 178.68 2hmn h GLN 94 N 1.15 1.01 -0.80 1.69 4.20 -1.77 -1.07 115.11 119.52 2hmn h GLN 94 Ca 0.29 -0.40 0.01 0.00 0.06 0.00 0.00 58.65 58.61 2hmn h GLN 94 Cb 0.04 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2hmn h GLN 94 CO -0.05 1.08 0.52 -0.07 -0.67 0.00 0.00 178.83 179.64 2hmn h LEU 95 N 0.89 0.92 -0.82 1.46 3.38 -0.71 -2.26 115.31 118.17 2hmn h LEU 95 Ca 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2hmn h LEU 95 Cb 0.73 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2hmn h LEU 95 CO 0.06 0.68 0.46 0.50 0.09 0.00 0.00 178.44 180.22 2hmn h LYS 96 N 1.08 1.14 -0.45 1.13 3.64 -0.52 0.85 116.57 123.45 2hmn h LYS 96 Ca 0.29 -0.13 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 2hmn h LYS 96 Cb -0.11 -0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 31.43 2hmn h LYS 96 CO -0.06 0.83 0.12 0.28 -2.27 0.00 0.00 179.45 178.36 2hmn h VAL 97 N 1.14 0.80 -0.55 2.00 2.07 -0.92 0.71 116.25 121.49 2hmn h VAL 97 Ca 0.29 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.66 2hmn h VAL 97 Cb 0.02 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2hmn h VAL 97 CO -0.05 0.05 0.12 0.03 0.02 0.00 0.00 177.57 177.74 2hmn h ARG 98 N 0.27 0.86 -0.41 1.57 3.08 -0.76 -0.70 114.38 118.29 2hmn h ARG 98 Ca 0.22 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 2hmn h ARG 98 Cb 0.25 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2hmn h ARG 98 CO -0.26 0.79 -0.06 0.28 -1.07 0.00 0.00 179.97 179.65 2hmn h VAL 99 N 0.83 1.27 -0.80 2.04 2.07 -0.23 -1.68 116.25 119.75 2hmn h VAL 99 Ca 0.18 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 2hmn h VAL 99 Cb 0.33 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 2hmn h VAL 99 CO 0.00 0.38 0.42 -0.33 0.02 0.00 0.00 177.57 178.06 2hmn h GLU 100 N 0.59 1.13 -1.00 1.57 4.39 -0.51 -1.59 114.58 119.18 2hmn h GLU 100 Ca 0.11 -0.15 0.05 0.00 0.34 0.00 0.00 59.36 59.71 2hmn h GLU 100 Cb 0.58 -0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 28.95 2hmn h GLU 100 CO 0.03 0.86 0.65 1.25 -1.16 0.00 0.00 179.01 180.64 2hmn h HIS 101 N 1.12 1.21 -0.45 4.33 2.76 -0.94 0.06 115.15 123.24 2hmn h HIS 101 Ca 0.28 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.39 2hmn h HIS 101 Cb 0.07 -0.40 -0.02 0.00 1.55 0.00 0.00 27.41 28.61 2hmn h HIS 101 CO 0.01 0.66 -0.07 1.96 -1.30 0.00 0.00 177.93 179.19 2hmn h GLN 102 N 1.22 0.79 0.00 5.26 1.08 -0.61 -3.16 115.11 119.69 2hmn h GLN 102 Ca 0.41 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2hmn h GLN 102 Cb 0.07 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2hmn h GLN 102 CO -0.15 0.84 -0.46 1.28 -0.95 0.00 0.00 178.83 179.39 2hmn n LEU 103 N -4.18 0.49 -4.72 1.46 4.32 -0.66 -4.91 117.00 108.80 2hmn n LEU 103 Ca 0.02 0.14 -0.42 0.00 -0.02 0.00 0.00 56.01 55.72 2hmn n LEU 103 Cb 0.34 -0.27 -0.03 0.00 -1.62 0.00 0.00 43.42 41.85 2hmn n LEU 103 CO 0.43 0.06 1.29 -0.62 -1.22 0.00 0.00 177.39 177.33 2hmn s ASP 104 N -3.35 6.48 0.00 -1.43 -1.08 -0.04 -4.88 116.67 112.36 2hmn s ASP 104 Ca 0.10 2.76 0.15 0.00 -0.52 0.00 0.00 52.55 55.04 2hmn s ASP 104 Cb 0.17 -2.60 0.76 0.00 -1.46 0.00 0.00 42.92 39.78 2hmn s ASP 104 CO 0.68 -0.90 1.45 -0.81 0.52 0.00 0.00 175.17 176.11 2hmn n PRO 105 N 3.82 0.18 -0.56 4.34 -0.04 -1.26 -1.53 135.00 139.94 2hmn n PRO 105 Ca 0.14 0.16 0.08 0.00 -0.04 0.00 0.00 63.50 63.84 2hmn n PRO 105 Cb 0.37 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.63 2hmn n PRO 105 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2hmn n GLN 106 N -1.33 3.60 -2.44 0.54 6.02 -1.26 -4.79 117.38 117.72 2hmn n GLN 106 Ca 0.07 -2.83 -0.38 0.00 -0.01 0.00 0.00 57.00 53.85 2hmn n GLN 106 Cb 0.13 -1.88 -0.03 0.00 1.02 0.00 0.00 30.24 29.48 2hmn n GLN 106 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2hmn s ASN 107 N -1.28 6.16 0.47 1.08 3.84 -0.59 -4.83 114.94 119.79 2hmn s ASN 107 Ca 0.45 -1.12 0.18 0.00 0.21 0.00 0.00 52.86 52.58 2hmn s ASN 107 Cb 0.33 -2.57 1.13 0.00 -0.55 0.00 0.00 41.25 39.60 2hmn s ASN 107 CO 0.16 -1.82 2.02 -0.50 -2.79 0.00 0.00 177.10 174.17 2hmn h TRP 108 N 10.29 0.00 0.00 0.43 4.06 -1.88 -2.07 115.95 126.78 2hmn h TRP 108 Ca 0.11 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.06 2hmn h TRP 108 Cb 1.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.18 2hmn h TRP 108 CO 1.24 0.17 0.00 0.41 -3.56 0.00 0.00 178.44 176.70 2hmn n GLY 109 N -0.93 -1.28 1.25 1.49 0.00 -1.26 -2.24 105.19 102.22 2hmn n GLY 109 Ca -0.02 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.12 2hmn n GLY 109 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hmn n ASN 110 N -2.15 3.64 -3.84 1.61 3.02 -0.78 -4.80 115.26 111.97 2hmn n ASN 110 Ca 0.03 -2.38 -0.24 0.00 -0.03 0.00 0.00 54.58 51.95 2hmn n ASN 110 Cb 0.24 -0.51 -0.17 0.00 -0.61 0.00 0.00 39.78 38.72 2hmn n ASN 110 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2hmn s SER 111 N -0.72 1.79 0.85 6.41 0.15 -0.95 -3.14 113.70 118.08 2hmn s SER 111 Ca 0.36 -0.18 -0.11 0.00 0.70 0.00 0.00 55.95 56.73 2hmn s SER 111 Cb 0.24 -0.61 0.10 0.00 -1.71 0.00 0.00 66.02 64.05 2hmn s SER 111 CO 0.16 -0.15 1.11 -2.16 1.20 0.00 0.00 173.24 173.40 2hmn s PRO 112 N 1.77 1.60 0.32 5.44 0.04 -1.26 -5.01 135.00 137.90 2hmn s PRO 112 Ca 0.03 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 2hmn s PRO 112 Cb -0.13 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.48 2hmn s PRO 112 CO -0.06 -2.13 1.53 1.17 0.04 0.00 0.00 177.00 177.55 2hmn n LYS 113 N -3.86 2.61 -1.18 4.56 4.81 -1.19 -4.86 118.16 119.05 2hmn n LYS 113 Ca 0.10 0.92 -0.31 0.00 -0.87 0.00 0.00 58.31 58.15 2hmn n LYS 113 Cb 0.53 -2.67 0.11 0.00 0.02 0.00 0.00 35.03 33.03 2hmn n LYS 113 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2hmn s LEU 114 N -0.96 2.77 -0.11 3.14 1.02 -1.26 -4.89 118.68 118.38 2hmn s LEU 114 Ca 0.60 1.76 0.01 0.00 0.02 0.00 0.00 54.13 56.53 2hmn s LEU 114 Cb -0.51 -4.34 0.02 0.00 0.02 0.00 0.00 46.19 41.38 2hmn s LEU 114 CO 0.54 -2.33 -0.15 -0.13 0.02 0.00 0.00 176.35 174.30 2hmn s ARG 115 N -4.88 2.19 -0.06 1.70 1.81 -0.57 -5.01 118.95 114.14 2hmn s ARG 115 Ca 0.62 -0.55 0.03 0.00 -1.72 0.00 0.00 55.73 54.12 2hmn s ARG 115 Cb -0.18 -1.90 -0.02 0.00 -0.45 0.00 0.00 34.95 32.39 2hmn s ARG 115 CO 0.57 -0.10 -0.15 -0.06 -0.68 0.00 0.00 175.30 174.88 2hmn s PHE 116 N 1.10 2.70 -0.05 -0.53 0.40 -1.26 -1.16 117.98 119.17 2hmn s PHE 116 Ca -0.04 -0.21 -0.02 0.00 -0.60 0.00 0.00 56.93 56.05 2hmn s PHE 116 Cb -0.14 -1.65 0.03 0.00 0.51 0.00 0.00 43.02 41.77 2hmn s PHE 116 CO -0.03 0.14 0.04 0.99 0.70 0.00 0.00 175.22 177.06 2hmn s THR 117 N -0.62 0.06 -0.05 0.64 2.01 -0.45 -4.77 115.64 112.45 2hmn s THR 117 Ca 0.09 0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.41 2hmn s THR 117 Cb -0.11 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 2hmn s THR 117 CO 0.01 0.20 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.94 2hmn s ARG 118 N 2.10 2.70 -0.22 4.92 0.52 -1.26 -0.80 118.95 126.90 2hmn s ARG 118 Ca 0.05 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.69 2hmn s ARG 118 Cb -0.12 -2.57 0.05 0.00 0.52 0.00 0.00 34.95 32.83 2hmn s ARG 118 CO -0.04 0.65 -0.09 -0.06 0.02 0.00 0.00 175.30 175.78 2hmn s PHE 119 N -0.84 2.64 -0.19 -0.53 0.40 0.25 -5.00 117.98 114.71 2hmn s PHE 119 Ca 0.13 -1.83 -0.06 0.00 -0.60 0.00 0.00 56.93 54.57 2hmn s PHE 119 Cb -0.11 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 2hmn s PHE 119 CO 0.02 -0.79 0.03 0.42 0.70 0.00 0.00 175.22 175.61 2hmn s ILE 120 N 1.32 4.39 0.28 0.64 -1.09 -1.26 -1.12 121.20 124.35 2hmn s ILE 120 Ca -0.04 -0.17 0.04 0.00 -2.23 0.00 0.00 60.65 58.25 2hmn s ILE 120 Cb -0.18 -2.98 -0.03 0.00 -1.58 0.00 0.00 42.46 37.69 2hmn s ILE 120 CO -0.07 0.44 0.22 0.42 -1.23 0.00 0.00 174.94 174.72 2hmn s THR 121 N 0.65 0.01 -1.45 2.92 -4.23 -0.25 -4.94 115.64 108.34 2hmn s THR 121 Ca 0.01 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.41 2hmn s THR 121 Cb -0.14 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.26 2hmn s THR 121 CO 0.02 0.00 1.05 0.59 -0.54 0.00 0.00 174.62 175.74 2hmn n ASN 122 N -1.05 -5.18 -4.72 3.99 4.13 -1.26 -1.16 115.26 110.01 2hmn n ASN 122 Ca 0.05 -0.69 -0.42 0.00 1.68 0.00 0.00 54.58 55.21 2hmn n ASN 122 Cb 0.64 -4.34 -0.03 0.00 -1.54 0.00 0.00 39.78 34.50 2hmn n ASN 122 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2hmn s VAL 123 N -3.32 3.50 0.02 2.41 1.01 -1.26 -4.25 120.40 118.51 2hmn s VAL 123 Ca 0.59 1.12 0.03 0.00 0.00 0.00 0.00 61.98 63.73 2hmn s VAL 123 Cb -0.28 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2hmn s VAL 123 CO 0.79 0.11 -0.10 -1.10 0.00 0.00 0.00 175.10 174.80 2hmn s GLN 124 N 0.74 0.72 -0.01 2.72 -0.21 0.19 -4.99 119.66 118.82 2hmn s GLN 124 Ca 0.60 -0.58 0.00 0.00 0.02 0.00 0.00 55.36 55.41 2hmn s GLN 124 Cb -0.34 -0.66 0.00 0.00 1.00 0.00 0.00 33.01 33.01 2hmn s GLN 124 CO 0.32 0.16 -0.01 0.00 -2.12 0.00 0.00 175.29 173.65 2hmn s ALA 125 N -0.72 0.12 -0.13 6.09 0.00 -1.26 -0.53 121.76 125.33 2hmn s ALA 125 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 2hmn s ALA 125 Cb -0.07 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.02 2hmn s ALA 125 CO 0.00 0.00 0.33 0.00 0.00 0.00 0.00 175.76 176.10 2hmn s ALA 126 N 0.17 -0.81 0.37 0.00 0.00 0.07 -4.73 121.76 116.83 2hmn s ALA 126 Ca -0.01 1.03 -0.27 0.00 0.00 0.00 0.00 51.96 52.71 2hmn s ALA 126 Cb -0.03 -0.62 -0.09 0.00 0.00 0.00 0.00 23.12 22.39 2hmn s ALA 126 CO -0.00 -0.18 1.22 -1.64 0.00 0.00 0.00 175.76 175.16 2hmn s MET 127 N 0.53 4.16 0.47 0.00 -1.94 -1.26 -0.29 119.30 120.97 2hmn s MET 127 Ca -0.03 1.99 -0.24 0.00 -1.71 0.00 0.00 55.69 55.70 2hmn s MET 127 Cb -0.04 -2.84 -0.07 0.00 2.01 0.00 0.00 34.83 33.88 2hmn s MET 127 CO -0.03 -0.27 1.40 0.34 -0.01 0.00 0.00 175.02 176.45 2hmn s ASP 128 N -0.87 5.76 0.11 3.03 2.15 0.55 -4.85 116.67 122.55 2hmn s ASP 128 Ca 0.54 2.86 -0.14 0.00 0.43 0.00 0.00 52.55 56.24 2hmn s ASP 128 Cb -0.35 -2.65 -0.07 0.00 -0.30 0.00 0.00 42.92 39.56 2hmn s ASP 128 CO 0.44 -1.25 1.45 0.58 -0.17 0.00 0.00 175.17 176.23 2hmn h VAL 129 N 2.11 1.29 0.00 1.11 2.07 -1.94 -3.35 116.25 117.54 2hmn h VAL 129 Ca -0.51 -1.40 -0.25 0.00 0.82 0.00 0.00 66.70 65.36 2hmn h VAL 129 Cb 1.27 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.48 2hmn h VAL 129 CO 0.60 0.46 -1.97 0.59 0.02 0.00 0.00 177.57 177.27 2hmn n ASN 130 N -4.26 0.35 -4.11 0.57 3.02 -1.26 -4.74 115.26 104.84 2hmn n ASN 130 Ca -0.03 0.16 -0.34 0.00 -0.03 0.00 0.00 54.58 54.33 2hmn n ASN 130 Cb 0.45 0.79 -0.13 0.00 -0.61 0.00 0.00 39.78 40.28 2hmn n ASN 130 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2hmn s ASP 131 N -5.49 5.02 0.07 6.41 -1.08 -1.26 -4.98 116.67 115.36 2hmn s ASP 131 Ca -0.07 -1.85 0.13 0.00 -0.52 0.00 0.00 52.55 50.24 2hmn s ASP 131 Cb 0.08 -1.74 0.57 0.00 -1.46 0.00 0.00 42.92 40.37 2hmn s ASP 131 CO 0.84 -0.42 1.40 0.29 0.52 0.00 0.00 175.17 177.80 2hmn n LYS 132 N 4.51 0.05 -0.00 4.34 4.01 -1.26 -1.77 118.16 128.04 2hmn n LYS 132 Ca -0.04 0.38 0.10 0.00 -0.51 0.00 0.00 58.31 58.24 2hmn n LYS 132 Cb 0.42 -1.61 0.09 0.00 -0.51 0.00 0.00 35.03 33.42 2hmn n LYS 132 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2hmn n GLU 133 N -1.70 1.84 -3.54 1.97 1.02 -1.26 -4.87 120.64 114.10 2hmn n GLU 133 Ca 0.02 -1.72 -0.38 0.00 -0.02 0.00 0.00 57.16 55.05 2hmn n GLU 133 Cb 0.12 -1.39 -0.11 0.00 -0.02 0.00 0.00 31.44 30.04 2hmn n GLU 133 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2hmn s LEU 134 N -1.71 4.08 -0.26 -4.62 2.96 -0.73 -4.21 118.68 114.19 2hmn s LEU 134 Ca 0.24 0.00 -0.09 0.00 -0.22 0.00 0.00 54.13 54.06 2hmn s LEU 134 Cb 0.17 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2hmn s LEU 134 CO 0.26 -0.10 0.12 -0.22 -1.32 0.00 0.00 176.35 175.09 2hmn s LEU 135 N 1.82 3.71 -0.13 -0.68 2.96 0.19 -0.33 118.68 126.23 2hmn s LEU 135 Ca 0.08 -0.11 -0.24 0.00 -0.22 0.00 0.00 54.13 53.64 2hmn s LEU 135 Cb -0.16 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 2hmn s LEU 135 CO 0.11 -0.03 0.78 -1.00 -1.32 0.00 0.00 176.35 174.88 2hmn s HIS 136 N 1.63 3.48 -0.06 5.38 3.76 0.60 -0.38 115.29 129.71 2hmn s HIS 136 Ca 0.07 1.25 0.02 0.00 -0.15 0.00 0.00 55.06 56.25 2hmn s HIS 136 Cb -0.15 -2.93 0.01 0.00 1.11 0.00 0.00 32.58 30.62 2hmn s HIS 136 CO 0.07 -0.11 -0.12 0.42 -0.85 0.00 0.00 174.74 174.15 2hmn s ILE 137 N 1.60 1.11 -0.07 0.60 1.01 -0.64 -0.75 121.20 124.06 2hmn s ILE 137 Ca 0.38 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.59 2hmn s ILE 137 Cb -0.17 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 2hmn s ILE 137 CO 0.15 0.35 -0.16 -0.60 0.00 0.00 0.00 174.94 174.68 2hmn s ARG 138 N 0.57 2.67 0.08 2.79 3.52 0.31 -0.60 118.95 128.29 2hmn s ARG 138 Ca -0.13 -0.73 -0.21 0.00 -0.13 0.00 0.00 55.73 54.54 2hmn s ARG 138 Cb -0.15 -2.39 0.05 0.00 -1.56 0.00 0.00 34.95 30.91 2hmn s ARG 138 CO 0.03 0.51 0.50 -1.54 -0.81 0.00 0.00 175.30 173.99 2hmn s SER 139 N -0.44 -0.40 0.04 -2.12 1.04 -0.96 -0.63 113.70 110.22 2hmn s SER 139 Ca 0.05 0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.54 2hmn s SER 139 Cb -0.12 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 2hmn s SER 139 CO 0.02 -0.78 -0.02 0.20 0.98 0.00 0.00 173.24 173.64 2hmn s ASN 140 N -2.28 4.93 -0.03 7.02 0.01 -0.31 0.12 114.94 124.42 2hmn s ASN 140 Ca -0.02 -0.12 0.04 0.00 -0.71 0.00 0.00 52.86 52.04 2hmn s ASN 140 Cb -0.00 -1.20 -0.00 0.00 0.41 0.00 0.00 41.25 40.46 2hmn s ASN 140 CO -0.06 0.23 -0.15 0.54 -1.51 0.00 0.00 177.10 176.16 2hmn s VAL 141 N -1.16 1.20 -0.22 1.60 0.11 -0.07 -1.09 120.40 120.77 2hmn s VAL 141 Ca 0.22 -0.61 -0.06 0.00 -2.93 0.00 0.00 61.98 58.59 2hmn s VAL 141 Cb -0.11 -1.03 -0.03 0.00 -1.53 0.00 0.00 36.38 33.68 2hmn s VAL 141 CO 0.13 0.35 0.04 -0.63 -3.33 0.00 0.00 175.10 171.66 2hmn s ILE 142 N -0.04 4.22 -0.19 7.04 1.01 -0.28 -1.73 121.20 131.24 2hmn s ILE 142 Ca -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.44 2hmn s ILE 142 Cb -0.09 -2.94 0.02 0.00 0.01 0.00 0.00 42.46 39.46 2hmn s ILE 142 CO 0.01 0.39 -0.18 -0.22 0.00 0.00 0.00 174.94 174.93 2hmn s LEU 143 N 1.22 2.26 -0.23 2.97 0.20 -0.18 -0.59 118.68 124.33 2hmn s LEU 143 Ca 0.04 -0.68 -0.07 0.00 0.69 0.00 0.00 54.13 54.11 2hmn s LEU 143 Cb -0.14 -1.50 -0.03 0.00 -0.43 0.00 0.00 46.19 44.08 2hmn s LEU 143 CO 0.02 -0.01 0.07 -2.28 -0.29 0.00 0.00 176.35 173.86 2hmn s HIS 144 N 1.29 3.13 -0.15 5.38 5.65 0.02 -0.72 115.29 129.89 2hmn s HIS 144 Ca 0.04 -0.26 0.02 0.00 0.25 0.00 0.00 55.06 55.12 2hmn s HIS 144 Cb -0.13 -2.19 0.01 0.00 -1.18 0.00 0.00 32.58 29.08 2hmn s HIS 144 CO -0.12 -0.21 -0.21 0.50 -0.65 0.00 0.00 174.74 174.06 2hmn s ARG 145 N 1.26 3.05 -0.03 2.88 3.52 0.15 -1.34 118.95 128.43 2hmn s ARG 145 Ca 0.05 -0.84 0.06 0.00 -0.13 0.00 0.00 55.73 54.88 2hmn s ARG 145 Cb -0.15 -2.48 -0.01 0.00 -1.56 0.00 0.00 34.95 30.76 2hmn s ARG 145 CO 0.04 -0.03 -0.23 0.00 -0.81 0.00 0.00 175.30 174.27 2hmn s ALA 146 N 0.85 1.92 0.04 6.12 0.00 -0.31 -0.90 121.76 129.49 2hmn s ALA 146 Ca -0.06 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.69 2hmn s ALA 146 Cb -0.15 -0.54 0.06 0.00 0.00 0.00 0.00 23.12 22.49 2hmn s ALA 146 CO -0.03 0.42 0.58 -0.98 0.00 0.00 0.00 175.76 175.76 2hmn s ARG 147 N -0.35 1.09 -1.58 0.00 1.70 -0.56 -1.51 118.95 117.75 2hmn s ARG 147 Ca 0.03 -0.14 -0.04 0.00 -0.47 0.00 0.00 55.73 55.12 2hmn s ARG 147 Cb -0.11 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 2hmn s ARG 147 CO 0.01 -0.40 0.48 0.54 -1.08 0.00 0.00 175.30 174.85 2hmn n ARG 148 N 0.40 -4.17 0.00 3.89 5.12 -1.26 -1.62 116.66 119.02 2hmn n ARG 148 Ca -0.18 0.92 0.00 0.00 -1.93 0.00 0.00 57.85 56.65 2hmn n ARG 148 Cb 0.60 -5.70 0.00 0.00 -1.16 0.00 0.00 32.46 26.20 2hmn n ARG 148 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hmn n GLY 149 N -1.41 1.96 0.10 -0.13 0.00 -1.26 -4.32 105.19 100.12 2hmn n GLY 149 Ca -0.14 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.65 2hmn n GLY 149 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hmn n ASN 150 N 3.16 0.89 -4.67 1.61 0.23 -1.23 -5.02 115.26 110.24 2hmn n ASN 150 Ca 0.00 -1.75 -0.39 0.00 -0.53 0.00 0.00 54.58 51.91 2hmn n ASN 150 Cb 0.00 -0.09 -0.07 0.00 -2.08 0.00 0.00 39.78 37.53 2hmn n ASN 150 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 2hmn s GLN 151 N -0.67 4.18 -0.05 -3.83 0.74 -0.64 -5.01 119.66 114.38 2hmn s GLN 151 Ca 0.04 0.30 -0.01 0.00 0.05 0.00 0.00 55.36 55.74 2hmn s GLN 151 Cb 0.04 -3.55 0.03 0.00 1.10 0.00 0.00 33.01 30.63 2hmn s GLN 151 CO 0.00 -0.08 0.03 0.08 -0.55 0.00 0.00 175.29 174.77 2hmn s VAL 152 N 1.43 0.11 -0.06 1.34 1.01 -1.26 -1.49 120.40 121.48 2hmn s VAL 152 Ca 0.21 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2hmn s VAL 152 Cb -0.15 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 35.94 2hmn s VAL 152 CO 0.09 0.19 -0.14 -1.81 0.00 0.00 0.00 175.10 173.42 2hmn s ASP 153 N 1.76 1.98 -0.12 3.32 1.01 -0.08 -5.01 116.67 119.54 2hmn s ASP 153 Ca 0.01 -0.34 0.02 0.00 0.71 0.00 0.00 52.55 52.95 2hmn s ASP 153 Cb -0.13 -0.85 0.01 0.00 1.01 0.00 0.00 42.92 42.97 2hmn s ASP 153 CO -0.03 0.07 -0.19 -0.69 0.21 0.00 0.00 175.17 174.54 2hmn s VAL 154 N 0.51 1.75 0.02 -1.27 1.01 -1.26 -0.67 120.40 120.49 2hmn s VAL 154 Ca -0.13 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.09 2hmn s VAL 154 Cb -0.15 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 2hmn s VAL 154 CO 0.04 0.49 -0.07 -0.36 0.00 0.00 0.00 175.10 175.20 2hmn s PHE 155 N 0.83 2.86 -0.05 5.22 0.40 0.10 -4.96 117.98 122.37 2hmn s PHE 155 Ca -0.09 -0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.18 2hmn s PHE 155 Cb -0.16 -1.57 0.02 0.00 0.51 0.00 0.00 43.02 41.82 2hmn s PHE 155 CO -0.00 0.38 -0.03 0.71 0.70 0.00 0.00 175.22 176.98 2hmn s TYR 156 N -1.04 0.66 0.01 0.36 1.51 -1.26 -1.01 117.35 116.59 2hmn s TYR 156 Ca 0.18 -0.17 -0.28 0.00 -1.01 0.00 0.00 57.07 55.79 2hmn s TYR 156 Cb -0.11 -0.64 0.08 0.00 -0.11 0.00 0.00 41.96 41.17 2hmn s TYR 156 CO 0.09 -0.20 0.69 0.00 -1.11 0.00 0.00 175.55 175.01 2hmn s ALA 157 N 1.10 -1.73 -0.12 3.71 0.00 -0.70 -4.49 121.76 119.54 2hmn s ALA 157 Ca -0.08 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.89 2hmn s ALA 157 Cb -0.14 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2hmn s ALA 157 CO -0.01 -0.51 0.06 0.00 0.00 0.00 0.00 175.76 175.30 2hmn s ALA 158 N -2.11 3.51 -0.14 0.00 0.00 -1.26 -0.89 121.76 120.86 2hmn s ALA 158 Ca -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2hmn s ALA 158 Cb -0.00 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 2hmn s ALA 158 CO 0.01 0.52 -0.15 1.03 0.00 0.00 0.00 175.76 177.17 2hmn s ARG 159 N -0.70 3.26 -0.43 0.00 0.52 0.12 -4.46 118.95 117.25 2hmn s ARG 159 Ca 0.12 -0.74 -0.12 0.00 -0.52 0.00 0.00 55.73 54.47 2hmn s ARG 159 Cb -0.12 -2.61 0.07 0.00 0.52 0.00 0.00 34.95 32.81 2hmn s ARG 159 CO 0.02 0.09 0.31 -1.21 0.02 0.00 0.00 175.30 174.53 2hmn s GLU 160 N 0.64 2.79 0.17 3.54 2.02 -0.08 -2.28 118.70 125.51 2hmn s GLU 160 Ca -0.08 -1.36 0.07 0.00 0.02 0.00 0.00 54.97 53.63 2hmn s GLU 160 Cb -0.16 -3.92 -0.04 0.00 0.10 0.00 0.00 34.13 30.11 2hmn s GLU 160 CO 0.02 -0.95 0.00 -0.51 0.02 0.00 0.00 175.26 173.85 2hmn s ASP 161 N 2.23 4.80 -0.08 -0.19 1.01 0.23 -1.37 116.67 123.30 2hmn s ASP 161 Ca 0.03 -0.38 0.03 0.00 0.71 0.00 0.00 52.55 52.95 2hmn s ASP 161 Cb -0.23 -1.03 0.01 0.00 1.01 0.00 0.00 42.92 42.67 2hmn s ASP 161 CO 0.05 0.09 -0.18 -0.54 0.21 0.00 0.00 175.17 174.80 2hmn s LYS 162 N -2.92 2.35 0.04 8.23 1.02 0.45 -1.62 119.74 127.30 2hmn s LYS 162 Ca 0.27 -0.65 0.08 0.00 0.02 0.00 0.00 55.97 55.69 2hmn s LYS 162 Cb -0.09 -1.85 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 2hmn s LYS 162 CO 0.19 0.12 -0.22 -1.58 -0.92 0.00 0.00 175.35 172.93 2hmn s TRP 163 N 0.46 1.93 -0.00 3.18 0.52 0.49 -0.30 118.94 125.23 2hmn s TRP 163 Ca -0.16 -0.38 -0.04 0.00 0.02 0.00 0.00 56.10 55.54 2hmn s TRP 163 Cb -0.17 -1.15 -0.00 0.00 -1.15 0.00 0.00 33.47 31.00 2hmn s TRP 163 CO 0.06 0.10 0.07 0.21 0.02 0.00 0.00 176.95 177.41 2hmn s LYS 164 N -1.20 0.32 0.11 4.98 2.20 0.08 -0.63 119.74 125.60 2hmn s LYS 164 Ca 0.08 -0.33 -0.31 0.00 -0.36 0.00 0.00 55.97 55.06 2hmn s LYS 164 Cb -0.09 0.13 -0.08 0.00 -1.51 0.00 0.00 37.83 36.28 2hmn s LYS 164 CO 0.02 -0.06 1.35 1.03 -0.36 0.00 0.00 175.35 177.33 2hmn s ARG 165 N -1.01 4.34 0.00 4.03 0.52 -1.26 -0.97 118.95 124.60 2hmn s ARG 165 Ca -0.11 2.02 0.00 0.00 -0.52 0.00 0.00 55.73 57.12 2hmn s ARG 165 Cb -0.06 -3.26 0.00 0.00 0.52 0.00 0.00 34.95 32.14 2hmn s ARG 165 CO 0.00 -0.40 0.00 0.41 0.02 0.00 0.00 175.30 175.34 2hmn n GLY 166 N 3.38 4.00 3.73 -3.53 0.00 0.26 -4.92 105.19 108.11 2hmn n GLY 166 Ca 0.11 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2hmn n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hmn s GLU 167 N 4.57 4.17 -0.03 1.61 8.01 -1.26 -1.47 118.70 134.30 2hmn s GLU 167 Ca 0.00 2.49 0.00 0.00 0.01 0.00 0.00 54.97 57.47 2hmn s GLU 167 Cb 0.00 -3.10 0.00 0.00 -4.31 0.00 0.00 34.13 26.72 2hmn s GLU 167 CO 0.00 -0.65 0.00 0.41 0.01 0.00 0.00 175.26 175.03 2hmn n GLY 168 N 3.42 0.39 2.34 -1.39 0.00 -1.26 -2.97 105.19 105.72 2hmn n GLY 168 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 2hmn n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hmn n GLY 169 N -1.96 0.41 3.71 -0.02 0.00 -0.54 -5.01 105.19 101.77 2hmn n GLY 169 Ca -0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2hmn n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hmn s VAL 170 N -1.73 4.49 0.04 1.61 1.01 -1.16 -4.63 120.40 120.02 2hmn s VAL 170 Ca 0.00 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.46 2hmn s VAL 170 Cb 0.00 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 2hmn s VAL 170 CO 0.00 0.11 1.30 -0.13 0.00 0.00 0.00 175.10 176.38 2hmn s ARG 171 N 1.30 4.35 0.14 2.72 0.52 -1.26 -0.58 118.95 126.14 2hmn s ARG 171 Ca 0.54 1.88 0.07 0.00 -0.52 0.00 0.00 55.73 57.70 2hmn s ARG 171 Cb -0.24 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 31.76 2hmn s ARG 171 CO 0.26 -0.42 -0.15 0.15 0.02 0.00 0.00 175.30 175.16 2hmn s LYS 172 N 1.66 1.10 -0.04 3.54 1.02 -0.14 -4.83 119.74 122.05 2hmn s LYS 172 Ca 0.61 -1.30 -0.30 0.00 0.02 0.00 0.00 55.97 55.00 2hmn s LYS 172 Cb -0.31 -1.02 -0.05 0.00 -0.52 0.00 0.00 37.83 35.93 2hmn s LYS 172 CO 0.27 0.20 1.51 -1.17 -0.92 0.00 0.00 175.35 175.24 2hmn s LEU 173 N -2.55 4.30 -0.01 3.17 2.96 0.67 -0.74 118.68 126.48 2hmn s LEU 173 Ca 0.11 2.13 0.10 0.00 -0.22 0.00 0.00 54.13 56.26 2hmn s LEU 173 Cb -0.05 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.95 2hmn s LEU 173 CO 0.04 -0.83 0.29 1.33 -1.32 0.00 0.00 176.35 175.86 2hmn n VAL 174 N 5.14 0.00 -3.68 1.68 0.24 0.59 -0.44 118.33 121.85 2hmn n VAL 174 Ca 0.15 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 62.09 2hmn n VAL 174 Cb 0.43 0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 33.22 2hmn n VAL 174 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2hmn s GLN 175 N -2.46 0.57 -0.08 7.34 0.74 -0.83 -1.85 119.66 123.09 2hmn s GLN 175 Ca -0.01 0.85 0.03 0.00 0.05 0.00 0.00 55.36 56.28 2hmn s GLN 175 Cb 0.07 0.17 0.01 0.00 1.10 0.00 0.00 33.01 34.36 2hmn s GLN 175 CO 0.42 -0.12 -0.16 0.50 -0.55 0.00 0.00 175.29 175.39 2hmn s ARG 176 N 0.90 2.12 -0.11 1.67 3.52 -0.44 -0.41 118.95 126.21 2hmn s ARG 176 Ca -0.05 -0.56 0.02 0.00 -0.13 0.00 0.00 55.73 55.01 2hmn s ARG 176 Cb -0.05 -1.69 0.01 0.00 -1.56 0.00 0.00 34.95 31.66 2hmn s ARG 176 CO -0.08 0.07 -0.16 0.12 -0.81 0.00 0.00 175.30 174.44 2hmn s PHE 177 N 0.59 2.03 -0.06 5.12 5.36 -0.47 -0.67 117.98 129.87 2hmn s PHE 177 Ca -0.15 -0.94 0.02 0.00 -0.96 0.00 0.00 56.93 54.89 2hmn s PHE 177 Cb -0.16 -1.45 0.02 0.00 -0.34 0.00 0.00 43.02 41.08 2hmn s PHE 177 CO 0.05 -0.47 -0.10 0.08 -1.46 0.00 0.00 175.22 173.32 2hmn s VAL 178 N 0.91 0.99 -0.53 3.12 1.01 -0.41 -0.90 120.40 124.59 2hmn s VAL 178 Ca -0.08 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 2hmn s VAL 178 Cb -0.15 -0.93 0.13 0.00 0.00 0.00 0.00 36.38 35.42 2hmn s VAL 178 CO -0.01 0.33 0.48 -0.62 0.00 0.00 0.00 175.10 175.28 2hmn s ASP 179 N 0.78 6.13 0.12 3.32 -1.08 -1.26 -0.78 116.67 123.91 2hmn s ASP 179 Ca -0.13 -1.77 -0.31 0.00 -0.52 0.00 0.00 52.55 49.82 2hmn s ASP 179 Cb -0.15 -2.19 -0.09 0.00 -1.46 0.00 0.00 42.92 39.03 2hmn s ASP 179 CO 0.02 -0.83 1.50 -0.47 0.52 0.00 0.00 175.17 175.91 2hmn s TYR 180 N 1.58 3.04 -0.03 -5.34 5.04 -0.14 -4.84 117.35 116.66 2hmn s TYR 180 Ca 0.03 0.73 0.28 0.00 -2.44 0.00 0.00 57.07 55.67 2hmn s TYR 180 Cb -0.29 -3.82 0.97 0.00 0.35 0.00 0.00 41.96 39.17 2hmn s TYR 180 CO 0.03 -3.02 1.84 -1.00 -1.34 0.00 0.00 175.55 172.06 2hmn h PRO 181 N 7.05 0.00 -5.02 4.97 0.13 -1.90 -3.43 132.00 133.81 2hmn h PRO 181 Ca -0.42 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.08 2hmn h PRO 181 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 2hmn h PRO 181 CO 0.90 0.07 -0.50 -1.21 -0.23 0.00 0.00 178.00 177.03 2hmn s GLU 182 N -3.52 4.02 -0.01 0.86 2.02 -1.26 -4.99 118.70 115.82 2hmn s GLU 182 Ca 0.03 -0.27 -0.22 0.00 0.02 0.00 0.00 54.97 54.52 2hmn s GLU 182 Cb 0.08 -3.59 -0.20 0.00 0.10 0.00 0.00 34.13 30.52 2hmn s GLU 182 CO 0.60 -0.05 1.16 -0.09 0.02 0.00 0.00 175.26 176.90 2hmn h ARG 183 N 7.89 0.29 -4.63 1.61 9.65 -1.92 -3.40 114.38 123.87 2hmn h ARG 183 Ca -0.37 -0.24 -0.70 0.00 -1.10 0.00 0.00 59.98 57.58 2hmn h ARG 183 Cb 1.18 0.05 -0.22 0.00 -1.39 0.00 0.00 29.97 29.59 2hmn h ARG 183 CO 0.61 0.89 -0.49 0.42 2.80 0.00 0.00 179.97 184.20 2hmn s ILE 184 N -3.58 4.92 0.22 1.20 1.01 -1.26 -5.02 121.20 118.69 2hmn s ILE 184 Ca -0.15 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 2hmn s ILE 184 Cb 0.03 -3.65 -0.09 0.00 0.01 0.00 0.00 42.46 38.76 2hmn s ILE 184 CO 0.76 -0.15 1.24 -0.76 0.00 0.00 0.00 174.94 176.04 2hmn s LEU 185 N 1.64 4.44 -0.33 2.97 1.43 -1.26 -4.93 118.68 122.64 2hmn s LEU 185 Ca 0.04 2.35 0.06 0.00 -1.03 0.00 0.00 54.13 55.56 2hmn s LEU 185 Cb -0.18 -3.61 0.46 0.00 0.03 0.00 0.00 46.19 42.88 2hmn s LEU 185 CO 0.08 -0.43 1.32 0.00 0.23 0.00 0.00 176.35 177.56 2hmn n GLN 186 N 2.23 3.16 -0.19 1.70 1.13 -1.26 -4.65 117.38 119.50 2hmn n GLN 186 Ca 0.04 -3.90 0.07 0.00 -1.94 0.00 0.00 57.00 51.27 2hmn n GLN 186 Cb 0.44 -2.18 0.10 0.00 0.11 0.00 0.00 30.24 28.71 2hmn n GLN 186 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2hmn n THR 187 N -0.81 1.35 0.00 5.09 -2.24 -1.26 -4.99 114.28 111.42 2hmn n THR 187 Ca 0.43 -1.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.59 2hmn n THR 187 Cb 0.91 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 2hmn n THR 187 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2hmn n HIS 188 N -1.03 0.00 -3.83 4.78 8.25 -1.26 -4.76 115.22 117.37 2hmn n HIS 188 Ca 0.11 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.51 2hmn n HIS 188 Cb 0.65 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 2hmn n HIS 188 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2hmn s ASN 189 N 0.00 -0.12 -0.37 0.41 2.20 -1.26 -5.04 114.94 110.75 2hmn s ASN 189 Ca 0.00 -0.77 0.06 0.00 -0.94 0.00 0.00 52.86 51.21 2hmn s ASN 189 Cb 0.00 0.70 0.48 0.00 -2.00 0.00 0.00 41.25 40.43 2hmn s ASN 189 CO 0.00 -1.35 1.48 -0.11 -2.94 0.00 0.00 177.10 174.18 2hmn n LEU 190 N -0.52 5.19 -2.29 3.54 0.00 -1.26 -4.90 117.00 116.75 2hmn n LEU 190 Ca -0.06 -4.27 -0.17 0.00 0.00 0.00 0.00 56.01 51.52 2hmn n LEU 190 Cb 0.60 -0.60 -0.13 0.00 0.00 0.00 0.00 43.42 43.29 2hmn n LEU 190 CO 0.19 1.64 1.93 0.23 0.00 0.00 0.00 177.39 181.38 2hmn n MET 191 N -0.93 2.24 -4.13 1.96 2.81 -1.26 -4.78 117.12 113.03 2hmn n MET 191 Ca 0.44 -1.20 -0.15 0.00 -1.81 0.00 0.00 57.70 54.98 2hmn n MET 191 Cb 0.93 -2.14 -0.12 0.00 -0.71 0.00 0.00 33.22 31.18 2hmn n MET 191 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2hmn s VAL 192 N 1.36 0.72 -0.61 2.03 -7.23 -1.26 -5.10 120.40 110.31 2hmn s VAL 192 Ca 0.64 -1.02 -0.24 0.00 -1.81 0.00 0.00 61.98 59.55 2hmn s VAL 192 Cb 0.28 -0.73 0.05 0.00 0.56 0.00 0.00 36.38 36.54 2hmn s VAL 192 CO -0.01 -0.24 0.98 -0.36 -0.31 0.00 0.00 175.10 175.16 2hmn s PHE 193 N -1.15 2.70 -2.00 2.82 0.08 -1.26 -5.16 117.98 114.02 2hmn s PHE 193 Ca -0.05 -0.22 0.20 0.00 0.12 0.00 0.00 56.93 56.98 2hmn s PHE 193 Cb -0.09 -4.21 1.22 0.00 -0.57 0.00 0.00 43.02 39.37 2hmn s PHE 193 CO 0.01 -1.53 1.60 1.28 -0.10 0.00 0.00 175.22 176.48