#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hza s ARG 3 N 0.00 0.49 -0.08 -1.09 1.04 -1.26 -5.14 118.95 112.92 2hza s ARG 3 Ca 0.00 -0.17 0.02 0.00 -1.04 0.00 0.00 55.73 54.54 2hza s ARG 3 Cb 0.00 -0.49 0.01 0.00 -2.04 0.00 0.00 34.95 32.43 2hza s ARG 3 CO 0.00 0.08 -0.14 0.08 -0.04 0.00 0.00 175.30 175.28 2hza s VAL 4 N 0.06 1.31 -0.16 4.99 1.01 -1.26 -5.13 120.40 121.23 2hza s VAL 4 Ca -0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2hza s VAL 4 Cb -0.04 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2hza s VAL 4 CO -0.00 0.40 0.05 -0.89 0.00 0.00 0.00 175.10 174.66 2hza s THR 5 N 0.76 4.70 0.09 3.92 2.01 -1.26 -5.10 115.64 120.77 2hza s THR 5 Ca -0.12 -0.07 0.05 0.00 0.31 0.00 0.00 61.69 61.86 2hza s THR 5 Cb -0.16 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 2hza s THR 5 CO 0.02 0.50 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.69 2hza s ILE 6 N 0.03 1.19 -0.21 1.82 1.01 -1.26 -5.13 121.20 118.65 2hza s ILE 6 Ca 0.05 -1.48 -0.12 0.00 0.00 0.00 0.00 60.65 59.10 2hza s ILE 6 Cb -0.12 -1.26 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 2hza s ILE 6 CO 0.01 -0.31 0.23 -0.89 0.00 0.00 0.00 174.94 173.97 2hza s THR 7 N -1.66 5.33 0.00 2.92 2.01 -1.26 -5.08 115.64 117.90 2hza s THR 7 Ca 0.02 0.36 0.06 0.00 0.31 0.00 0.00 61.69 62.44 2hza s THR 7 Cb -0.08 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 2hza s THR 7 CO 0.02 0.35 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.37 2hza s LEU 8 N 0.89 2.08 0.59 4.42 1.43 -1.26 -5.14 118.68 121.69 2hza s LEU 8 Ca 0.12 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.69 2hza s LEU 8 Cb -0.13 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 2hza s LEU 8 CO 0.04 0.18 1.05 1.51 0.23 0.00 0.00 176.35 179.36 2hza s ASP 9 N -0.64 5.84 0.15 2.29 -4.77 -1.26 -4.87 116.67 113.41 2hza s ASP 9 Ca 0.06 1.81 -0.20 0.00 -3.30 0.00 0.00 52.55 50.92 2hza s ASP 9 Cb -0.07 -2.53 0.05 0.00 -1.09 0.00 0.00 42.92 39.27 2hza s ASP 9 CO 0.00 -1.13 1.65 0.44 0.70 0.00 0.00 175.17 176.83 2hza h ASP 10 N 0.48 -0.54 -0.17 2.11 3.32 -2.00 -1.14 116.42 118.48 2hza h ASP 10 Ca -0.47 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 2hza h ASP 10 Cb 1.22 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 41.05 2hza h ASP 10 CO 0.58 -0.20 0.11 -2.24 -1.72 0.00 0.00 179.24 175.76 2hza h ASP 11 N -0.13 0.20 -0.64 6.45 2.03 -1.99 0.20 116.42 122.54 2hza h ASP 11 Ca 0.15 -0.03 0.07 0.00 -0.73 0.00 0.00 57.03 56.49 2hza h ASP 11 Cb 0.36 -0.05 -0.06 0.00 -0.83 0.00 0.00 39.33 38.75 2hza h ASP 11 CO -0.37 0.18 0.32 0.25 -1.03 0.00 0.00 179.24 178.58 2hza h LEU 12 N 0.21 0.43 -1.28 0.15 6.46 -1.90 -0.07 115.31 119.31 2hza h LEU 12 Ca 0.06 0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.81 2hza h LEU 12 Cb 0.01 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 2hza h LEU 12 CO -0.01 0.27 -0.19 -0.07 -0.62 0.00 0.00 178.44 177.81 2hza h LEU 13 N 0.57 0.24 -0.96 2.25 3.38 -0.66 0.83 115.31 120.97 2hza h LEU 13 Ca 0.30 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 2hza h LEU 13 Cb 0.27 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2hza h LEU 13 CO -0.23 0.45 -0.14 -0.08 0.09 0.00 0.00 178.44 178.53 2hza h GLU 14 N 0.23 0.60 0.06 1.13 4.81 0.12 0.20 114.58 121.72 2hza h GLU 14 Ca 0.04 -0.19 -0.25 0.00 -0.13 0.00 0.00 59.36 58.83 2hza h GLU 14 Cb 0.48 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.81 2hza h GLU 14 CO 0.03 0.72 -1.08 1.15 -0.73 0.00 0.00 179.01 179.10 2hza h THR 15 N 0.54 1.41 -0.22 0.32 2.02 -0.60 -1.44 112.91 114.93 2hza h THR 15 Ca 0.09 -2.63 -0.08 0.00 0.77 0.00 0.00 66.41 64.57 2hza h THR 15 Cb 0.56 2.62 -0.00 0.00 -1.74 0.00 0.00 68.15 69.59 2hza h THR 15 CO 0.04 0.78 -0.16 0.25 0.37 0.00 0.00 175.52 176.79 2hza h LEU 16 N 0.19 0.52 -1.05 2.58 5.85 -0.64 -2.59 115.31 120.17 2hza h LEU 16 Ca -0.12 -0.45 -0.07 0.00 0.84 0.00 0.00 57.88 58.08 2hza h LEU 16 Cb 1.75 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.62 2hza h LEU 16 CO 0.19 0.86 -0.10 0.44 -0.34 0.00 0.00 178.44 179.49 2hza h ASP 17 N 0.19 0.54 0.03 1.25 3.32 -0.65 0.11 116.42 121.20 2hza h ASP 17 Ca 0.04 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.96 2hza h ASP 17 Cb 0.69 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2hza h ASP 17 CO 0.04 0.68 -0.07 -1.28 -1.72 0.00 0.00 179.24 176.89 2hza h SER 18 N 0.52 -0.20 0.77 6.45 0.87 -1.19 -1.40 113.55 119.37 2hza h SER 18 Ca 0.10 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2hza h SER 18 Cb 0.49 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2hza h SER 18 CO 0.03 -0.11 -0.04 0.25 -0.53 0.00 0.00 176.83 176.43 2hza h LEU 19 N -0.14 0.00 0.13 2.23 5.85 -1.06 -3.04 115.31 119.28 2hza h LEU 19 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2hza h LEU 19 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2hza h LEU 19 CO -0.05 0.04 -0.06 -1.28 -0.34 0.00 0.00 178.44 176.75 2hza h SER 20 N 0.00 -0.14 -0.12 1.25 0.87 0.08 -0.93 113.55 114.56 2hza h SER 20 Ca -0.00 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2hza h SER 20 Cb 0.44 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2hza h SER 20 CO 0.01 0.42 0.08 1.56 -0.53 0.00 0.00 176.83 178.36 2hza h GLN 21 N -0.79 0.15 0.00 2.24 4.20 -1.42 -1.76 115.11 117.74 2hza h GLN 21 Ca -0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2hza h GLN 21 Cb 0.55 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2hza h GLN 21 CO 0.03 0.10 0.00 0.54 -0.67 0.00 0.00 178.83 178.83 2hza n ARG 22 N -5.01 0.00 0.01 1.46 5.12 -1.15 -2.76 116.66 114.33 2hza n ARG 22 Ca -0.05 0.40 0.00 0.00 -1.93 0.00 0.00 57.85 56.28 2hza n ARG 22 Cb 0.03 -1.40 0.01 0.00 -1.16 0.00 0.00 32.46 29.94 2hza n ARG 22 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2hza n ARG 23 N -1.70 0.00 -2.69 5.56 0.00 -0.35 -4.75 116.66 112.74 2hza n ARG 23 Ca 0.00 0.20 -0.07 0.00 -0.00 0.00 0.00 57.85 57.99 2hza n ARG 23 Cb 0.00 -1.83 0.03 0.00 -0.00 0.00 0.00 32.46 30.65 2hza n ARG 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hza n GLY 24 N -1.19 0.37 3.79 2.89 0.00 -0.99 -5.05 105.19 105.02 2hza n GLY 24 Ca -0.00 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 2hza n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hza s TYR 25 N -3.10 3.34 0.19 1.61 1.51 -0.70 -5.02 117.35 115.19 2hza s TYR 25 Ca 0.11 0.27 -0.12 0.00 -1.01 0.00 0.00 57.07 56.32 2hza s TYR 25 Cb -0.05 -1.79 0.13 0.00 -0.11 0.00 0.00 41.96 40.14 2hza s TYR 25 CO 0.23 0.58 1.85 -0.91 -1.11 0.00 0.00 175.55 176.18 2hza h ASN 26 N 4.40 0.68 -2.25 2.29 4.21 -1.97 -3.42 115.58 119.51 2hza h ASN 26 Ca -0.50 -0.01 0.04 0.00 1.21 0.00 0.00 56.30 57.04 2hza h ASN 26 Cb 1.19 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 38.23 2hza h ASN 26 CO 0.61 0.48 0.30 -0.46 -1.29 0.00 0.00 177.43 177.07 2hza n ASN 27 N -4.68 -1.50 -0.09 5.81 6.94 -1.26 -5.04 115.26 115.44 2hza n ASN 27 Ca 0.05 -1.94 -0.06 0.00 -0.02 0.00 0.00 54.58 52.61 2hza n ASN 27 Cb 0.05 2.47 0.00 0.00 -2.36 0.00 0.00 39.78 39.94 2hza n ASN 27 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2hza h ARG 28 N 0.00 -0.03 -0.62 -3.83 3.08 -1.95 -2.59 114.38 108.44 2hza h ARG 28 Ca -0.22 0.00 0.12 0.00 0.07 0.00 0.00 59.98 59.95 2hza h ARG 28 Cb 0.89 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.85 2hza h ARG 28 CO 0.29 -0.02 0.07 1.03 -1.07 0.00 0.00 179.97 180.27 2hza h SER 29 N -0.04 -0.14 -0.46 7.04 0.87 -1.99 0.11 113.55 118.96 2hza h SER 29 Ca 0.17 0.13 -0.13 0.00 -1.23 0.00 0.00 61.79 60.73 2hza h SER 29 Cb 0.29 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2hza h SER 29 CO -0.37 -0.06 -0.23 -0.08 -0.53 0.00 0.00 176.83 175.56 2hza h GLU 30 N 0.18 0.98 -0.04 2.24 4.81 -1.91 -1.00 114.58 119.84 2hza h GLU 30 Ca 0.33 -0.43 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2hza h GLU 30 Cb 0.52 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 2hza h GLU 30 CO -0.47 1.10 0.01 0.00 -0.73 0.00 0.00 179.01 178.91 2hza h ALA 31 N 0.88 0.05 -0.94 2.92 0.00 -1.01 -2.16 119.26 119.00 2hza h ALA 31 Ca 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2hza h ALA 31 Cb 0.81 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2hza h ALA 31 CO 0.07 -0.32 0.57 0.82 0.00 0.00 0.00 179.25 180.39 2hza h ILE 32 N -0.17 1.26 -0.60 0.00 2.04 -0.78 -0.99 117.51 118.27 2hza h ILE 32 Ca 0.01 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 2hza h ILE 32 Cb 0.26 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 2hza h ILE 32 CO 0.00 0.27 0.26 -0.09 0.00 0.00 0.00 178.15 178.60 2hza h ARG 33 N 1.30 0.85 -0.10 2.37 2.43 -1.07 0.06 114.38 120.23 2hza h ARG 33 Ca 0.34 -0.12 -0.21 0.00 -0.81 0.00 0.00 59.98 59.18 2hza h ARG 33 Cb -0.05 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2hza h ARG 33 CO -0.06 0.68 -0.74 -0.44 -1.51 0.00 0.00 179.97 177.89 2hza h ASP 34 N 0.85 0.83 -0.91 -3.80 5.19 -0.71 -2.31 116.42 115.56 2hza h ASP 34 Ca 0.21 -0.66 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 2hza h ASP 34 Cb 0.13 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 39.35 2hza h ASP 34 CO -0.02 1.36 0.57 0.40 -3.12 0.00 0.00 179.24 178.43 2hza h ILE 35 N 0.36 1.24 -0.58 0.35 2.04 -0.84 -1.80 117.51 118.28 2hza h ILE 35 Ca -0.06 -0.50 -0.10 0.00 1.00 0.00 0.00 64.86 65.20 2hza h ILE 35 Cb 1.39 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2hza h ILE 35 CO 0.15 0.25 -0.01 -0.07 0.00 0.00 0.00 178.15 178.47 2hza h LEU 36 N 1.25 1.02 -0.07 1.44 3.38 -0.97 -1.42 115.31 119.94 2hza h LEU 36 Ca 0.33 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 58.03 2hza h LEU 36 Cb -0.09 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.34 2hza h LEU 36 CO -0.07 1.08 -0.18 -0.09 0.09 0.00 0.00 178.44 179.28 2hza h ARG 37 N 0.93 -0.24 -0.10 1.13 9.65 -0.76 -0.03 114.38 124.95 2hza h ARG 37 Ca 0.16 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.05 2hza h ARG 37 Cb 0.56 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.19 2hza h ARG 37 CO 0.03 -0.16 0.01 0.77 2.80 0.00 0.00 179.97 183.42 2hza h SER 38 N -0.25 0.17 -0.34 -3.80 0.02 -1.26 -1.04 113.55 107.05 2hza h SER 38 Ca 0.08 -0.27 0.07 0.00 -0.84 0.00 0.00 61.79 60.83 2hza h SER 38 Cb 0.36 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.78 2hza h SER 38 CO -0.22 0.40 -0.13 0.00 -1.14 0.00 0.00 176.83 175.74 2hza h ALA 39 N 0.78 0.16 -0.29 3.77 0.00 -1.05 0.03 119.26 122.66 2hza h ALA 39 Ca 0.03 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2hza h ALA 39 Cb 0.30 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2hza h ALA 39 CO 0.00 -0.51 -0.28 -0.07 0.00 0.00 0.00 179.25 178.40 2hza h LEU 40 N -0.06 0.59 -0.19 0.00 3.38 -0.97 -2.87 115.31 115.18 2hza h LEU 40 Ca 0.17 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2hza h LEU 40 Cb 0.33 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2hza h LEU 40 CO -0.39 0.84 -0.01 0.00 0.09 0.00 0.00 178.44 178.97 2hza h ALA 41 N 1.20 0.16 0.00 1.53 0.00 -0.16 -2.61 119.26 119.38 2hza h ALA 41 Ca 0.07 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2hza h ALA 41 Cb 0.74 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2hza h ALA 41 CO 0.06 -0.45 0.04 0.00 0.00 0.00 0.00 179.25 178.90 2hza n GLN 42 N -5.15 1.08 0.00 0.00 0.00 -0.10 -5.10 117.38 108.11 2hza n GLN 42 Ca -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 57.00 56.43 2hza n GLN 42 Cb 0.11 -1.77 0.00 0.00 0.00 0.00 0.00 30.24 28.58 2hza n GLN 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2hza n GLU 43 N 2.74 0.00 -3.62 2.61 2.13 -0.99 -5.00 120.64 118.52 2hza n GLU 43 Ca 0.23 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.91 2hza n GLU 43 Cb 0.49 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.15 2hza n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hza n GLY 49 N 0.00 3.24 0.13 8.31 0.00 -1.26 -5.07 105.19 110.54 2hza n GLY 49 Ca 0.00 -1.85 -0.22 0.00 0.00 0.00 0.00 46.02 43.96 2hza n GLY 49 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2hza h THR 50 N 1.75 0.73 -3.09 2.61 2.02 -1.96 -3.47 112.91 111.51 2hza h THR 50 Ca -0.17 -2.32 -0.63 0.00 0.77 0.00 0.00 66.41 64.05 2hza h THR 50 Cb 0.86 2.48 -0.07 0.00 -1.74 0.00 0.00 68.15 69.68 2hza h THR 50 CO 0.26 0.76 -0.57 -1.10 0.37 0.00 0.00 175.52 175.24 2hza s GLN 51 N -2.51 3.08 0.00 6.66 -1.52 -1.26 -4.28 119.66 119.82 2hza s GLN 51 Ca -0.23 -0.60 0.00 0.00 -1.95 0.00 0.00 55.36 52.58 2hza s GLN 51 Cb 0.06 -2.84 0.00 0.00 -0.22 0.00 0.00 33.01 30.01 2hza s GLN 51 CO 0.74 0.58 0.00 0.41 -0.25 0.00 0.00 175.29 176.77 2hza n GLY 52 N 0.42 -0.78 3.77 3.09 0.00 -0.63 -0.82 105.19 110.23 2hza n GLY 52 Ca -0.07 -1.06 -0.27 0.00 0.00 0.00 0.00 46.02 44.61 2hza n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hza s PHE 53 N -3.00 2.23 -0.04 1.61 0.08 -0.35 -1.56 117.98 116.96 2hza s PHE 53 Ca 0.00 -0.73 -0.29 0.00 0.12 0.00 0.00 56.93 56.03 2hza s PHE 53 Cb 0.00 -1.86 0.09 0.00 -0.57 0.00 0.00 43.02 40.68 2hza s PHE 53 CO 0.00 0.08 0.79 0.00 -0.10 0.00 0.00 175.22 175.99 2hza s ALA 54 N -2.71 -1.80 -0.14 5.36 0.00 -0.59 -0.31 121.76 121.58 2hza s ALA 54 Ca 0.31 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.48 2hza s ALA 54 Cb 0.03 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.20 2hza s ALA 54 CO 0.17 -0.48 -0.16 0.08 0.00 0.00 0.00 175.76 175.37 2hza s VAL 55 N -1.98 1.70 -0.17 0.00 1.01 0.29 -0.84 120.40 120.41 2hza s VAL 55 Ca -0.03 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2hza s VAL 55 Cb -0.00 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.83 2hza s VAL 55 CO 0.00 0.48 -0.18 -0.22 0.00 0.00 0.00 175.10 175.18 2hza s LEU 56 N 1.24 2.27 0.09 3.92 2.96 0.26 -0.98 118.68 128.44 2hza s LEU 56 Ca 0.00 -0.58 0.08 0.00 -0.22 0.00 0.00 54.13 53.42 2hza s LEU 56 Cb -0.14 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2hza s LEU 56 CO -0.08 0.03 -0.22 -0.94 -1.32 0.00 0.00 176.35 173.83 2hza s SER 57 N 1.11 2.64 0.03 3.68 1.04 -0.58 0.57 113.70 122.19 2hza s SER 57 Ca 0.00 -0.65 -0.28 0.00 0.48 0.00 0.00 55.95 55.50 2hza s SER 57 Cb -0.14 -0.17 0.09 0.00 0.10 0.00 0.00 66.02 65.90 2hza s SER 57 CO -0.07 0.10 0.89 -0.72 0.98 0.00 0.00 173.24 174.42 2hza s TYR 58 N -1.05 -0.32 0.03 5.02 -0.85 -0.77 -0.67 117.35 118.75 2hza s TYR 58 Ca 0.08 0.15 0.08 0.00 -0.52 0.00 0.00 57.07 56.86 2hza s TYR 58 Cb -0.10 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 42.77 2hza s TYR 58 CO 0.04 -0.60 -0.23 0.08 -1.52 0.00 0.00 175.55 173.31 2hza s VAL 59 N -3.17 1.86 0.06 -3.49 1.01 0.40 -1.74 120.40 115.32 2hza s VAL 59 Ca 0.06 -1.22 -0.27 0.00 0.00 0.00 0.00 61.98 60.55 2hza s VAL 59 Cb -0.01 -1.59 0.07 0.00 0.00 0.00 0.00 36.38 34.85 2hza s VAL 59 CO -0.07 0.32 0.64 -0.72 0.00 0.00 0.00 175.10 175.27 2hza s TYR 60 N -0.75 -0.58 -0.26 5.22 1.13 -0.36 -0.06 117.35 121.68 2hza s TYR 60 Ca 0.09 0.67 -0.22 0.00 -1.41 0.00 0.00 57.07 56.20 2hza s TYR 60 Cb -0.09 0.49 -0.01 0.00 -1.10 0.00 0.00 41.96 41.25 2hza s TYR 60 CO 0.01 -0.74 0.73 -1.83 -2.51 0.00 0.00 175.55 171.22 2hza s GLU 61 N -2.62 4.09 0.31 -3.49 1.03 -1.24 -0.36 118.70 116.43 2hza s GLU 61 Ca -0.04 0.68 0.01 0.00 0.03 0.00 0.00 54.97 55.65 2hza s GLU 61 Cb -0.01 -3.67 0.51 0.00 -0.80 0.00 0.00 34.13 30.17 2hza s GLU 61 CO -0.03 -0.51 1.87 1.12 -1.33 0.00 0.00 175.26 176.38 2hza h HIS 62 N 7.88 0.72 0.09 4.83 2.07 -1.83 -3.24 115.15 125.68 2hza h HIS 62 Ca -0.25 -0.06 -0.20 0.00 -2.85 0.00 0.00 60.37 57.02 2hza h HIS 62 Cb 1.11 -0.22 0.02 0.00 2.57 0.00 0.00 27.41 30.89 2hza h HIS 62 CO 0.76 0.61 -0.82 0.93 -3.07 0.00 0.00 177.93 176.34 2hza h GLU 63 N 0.69 0.40 0.00 5.12 3.07 -1.93 -3.17 114.58 118.76 2hza h GLU 63 Ca 0.16 -0.55 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 2hza h GLU 63 Cb 0.25 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 2hza h GLU 63 CO -0.00 1.22 0.00 0.36 -1.40 0.00 0.00 179.01 179.19 2hza n LYS 64 N -4.10 0.00 -0.35 2.33 2.85 -1.22 -0.79 118.16 116.88 2hza n LYS 64 Ca -0.13 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.21 2hza n LYS 64 Cb 0.80 0.00 0.14 0.00 -0.65 0.00 0.00 35.03 35.32 2hza n LYS 64 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2hza n ARG 65 N -0.11 1.20 -1.17 -1.58 1.85 -1.26 -4.87 116.66 110.72 2hza n ARG 65 Ca 0.00 -2.64 -0.06 0.00 -1.00 0.00 0.00 57.85 54.16 2hza n ARG 65 Cb 0.00 -1.37 -0.02 0.00 -1.05 0.00 0.00 32.46 30.01 2hza n ARG 65 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2hza n ASP 66 N -1.11 -3.70 -0.32 2.89 -0.08 0.03 -4.88 116.55 109.37 2hza n ASP 66 Ca 0.15 0.14 0.18 0.00 -1.51 0.00 0.00 54.79 53.75 2hza n ASP 66 Cb 0.69 -1.70 0.34 0.00 2.34 0.00 0.00 41.12 42.79 2hza n ASP 66 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2hza n LEU 67 N -0.65 -0.00 -0.18 -2.67 7.94 -1.22 0.45 117.00 120.66 2hza n LEU 67 Ca -0.06 1.59 -0.01 0.00 -1.11 0.00 0.00 56.01 56.43 2hza n LEU 67 Cb 0.19 -0.63 0.07 0.00 0.53 0.00 0.00 43.42 43.58 2hza n LEU 67 CO 0.09 -1.65 0.82 0.00 -1.11 0.00 0.00 177.39 175.53 2hza h ALA 68 N 1.89 0.50 -0.51 1.96 0.00 -1.81 0.22 119.26 121.50 2hza h ALA 68 Ca 0.63 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.68 2hza h ALA 68 Cb 1.41 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 2hza h ALA 68 CO -0.85 -0.40 0.17 1.03 0.00 0.00 0.00 179.25 179.20 2hza h SER 69 N 0.09 0.73 -0.72 0.00 0.87 -0.30 -2.08 113.55 112.15 2hza h SER 69 Ca 0.28 -0.20 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 2hza h SER 69 Cb 0.44 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 2hza h SER 69 CO -0.49 0.73 0.29 -0.09 -0.53 0.00 0.00 176.83 176.74 2hza h ARG 70 N 0.69 1.07 -0.45 2.24 2.43 -0.75 -2.28 114.38 117.33 2hza h ARG 70 Ca 0.17 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 2hza h ARG 70 Cb 0.25 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2hza h ARG 70 CO -0.01 0.87 -0.16 0.82 -1.51 0.00 0.00 179.97 179.99 2hza h ILE 71 N 1.02 1.27 -0.31 1.20 2.04 -0.50 -1.06 117.51 121.17 2hza h ILE 71 Ca 0.24 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 2hza h ILE 71 Cb 0.20 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2hza h ILE 71 CO -0.02 0.44 0.15 0.58 0.00 0.00 0.00 178.15 179.30 2hza h VAL 72 N 0.73 1.16 -0.61 1.67 2.07 -1.29 0.30 116.25 120.28 2hza h VAL 72 Ca 0.11 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 2hza h VAL 72 Cb 0.71 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2hza h VAL 72 CO 0.05 0.17 0.09 0.77 0.02 0.00 0.00 177.57 178.67 2hza h SER 73 N 0.37 0.98 -0.40 0.57 4.64 -1.35 0.27 113.55 118.63 2hza h SER 73 Ca 0.11 -0.26 0.05 0.00 -0.47 0.00 0.00 61.79 61.22 2hza h SER 73 Cb 0.13 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 61.91 2hza h SER 73 CO -0.01 1.00 0.12 0.74 -0.87 0.00 0.00 176.83 177.80 2hza h THR 74 N 0.93 0.85 -0.73 2.95 2.02 -0.97 0.32 112.91 118.28 2hza h THR 74 Ca 0.18 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 2hza h THR 74 Cb 0.44 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2hza h THR 74 CO 0.01 0.05 0.30 1.56 0.37 0.00 0.00 175.52 177.81 2hza h GLN 75 N 0.27 1.07 -0.02 6.66 4.20 -0.35 -2.20 115.11 124.74 2hza h GLN 75 Ca 0.19 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 2hza h GLN 75 Cb 0.19 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2hza h GLN 75 CO -0.21 0.86 -0.31 0.45 -0.67 0.00 0.00 178.83 178.95 2hza h HIS 76 N 1.05 0.04 0.00 2.96 3.86 0.84 0.36 115.15 124.26 2hza h HIS 76 Ca 0.24 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 2hza h HIS 76 Cb 0.19 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 2hza h HIS 76 CO 0.02 0.35 -0.05 0.45 0.86 0.00 0.00 177.93 179.55 2hza h HIS 77 N 0.03 0.00 -0.01 2.45 3.86 0.22 -2.31 115.15 119.40 2hza h HIS 77 Ca 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 2hza h HIS 77 Cb 0.57 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.96 2hza h HIS 77 CO 0.00 0.05 -0.62 0.72 0.86 0.00 0.00 177.93 178.95 2hza n HIS 78 N -4.24 0.03 -0.04 2.45 8.25 -0.67 -4.84 115.22 116.16 2hza n HIS 78 Ca -0.03 -1.30 0.24 0.00 -0.26 0.00 0.00 57.72 56.37 2hza n HIS 78 Cb 0.14 -0.23 0.72 0.00 1.12 0.00 0.00 29.99 31.73 2hza n HIS 78 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2hza h HIS 79 N 1.02 0.00 -0.12 4.41 2.07 0.27 0.39 115.15 123.19 2hza h HIS 79 Ca -0.04 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.51 2hza h HIS 79 Cb 1.19 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.17 2hza h HIS 79 CO 0.64 0.00 0.09 0.38 -3.07 0.00 0.00 177.93 175.97 2hza h ASP 80 N 0.00 0.00 0.77 3.10 2.03 -1.85 -0.14 116.42 120.32 2hza h ASP 80 Ca 0.31 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.61 2hza h ASP 80 Cb 1.44 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.94 2hza h ASP 80 CO -0.00 0.00 -0.39 0.18 -1.03 0.00 0.00 179.24 177.99 2hza n LEU 81 N -4.33 0.47 -4.71 0.15 4.77 0.14 -4.87 117.00 108.61 2hza n LEU 81 Ca -0.00 0.21 -0.37 0.00 -0.03 0.00 0.00 56.01 55.82 2hza n LEU 81 Cb 0.21 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 2hza n LEU 81 CO 0.33 0.03 -0.01 -0.55 -1.33 0.00 0.00 177.39 175.86 2hza s SER 82 N -3.43 6.39 -0.19 -1.43 0.15 -0.07 0.24 113.70 115.37 2hza s SER 82 Ca 0.10 0.46 -0.18 0.00 0.70 0.00 0.00 55.95 57.03 2hza s SER 82 Cb 0.16 -2.18 -0.14 0.00 -1.71 0.00 0.00 66.02 62.15 2hza s SER 82 CO 0.66 0.06 0.09 0.52 1.20 0.00 0.00 173.24 175.77 2hza n VAL 83 N 3.83 1.50 -3.62 4.45 0.31 -0.64 -4.93 118.33 119.23 2hza n VAL 83 Ca -0.11 0.03 -0.03 0.00 -0.01 0.00 0.00 64.34 64.21 2hza n VAL 83 Cb 0.52 -2.14 -0.02 0.00 -0.91 0.00 0.00 33.84 31.29 2hza n VAL 83 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hza s ALA 84 N -2.47 -2.13 -0.04 3.52 0.00 -1.21 -5.03 121.76 114.40 2hza s ALA 84 Ca -0.25 1.78 0.05 0.00 0.00 0.00 0.00 51.96 53.53 2hza s ALA 84 Cb 0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 2hza s ALA 84 CO 0.49 -0.53 -0.19 0.99 0.00 0.00 0.00 175.76 176.52 2hza s THR 85 N -2.06 1.52 -0.14 0.00 2.01 -1.26 -1.15 115.64 114.57 2hza s THR 85 Ca 0.10 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 2hza s THR 85 Cb -0.01 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 2hza s THR 85 CO -0.04 0.43 0.06 -0.22 -0.69 0.00 0.00 174.62 174.17 2hza s LEU 86 N -0.11 3.88 -0.05 4.42 2.96 0.31 -4.94 118.68 125.15 2hza s LEU 86 Ca -0.01 0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 2hza s LEU 86 Cb -0.11 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.65 2hza s LEU 86 CO 0.02 0.29 -0.09 -2.28 -1.32 0.00 0.00 176.35 172.97 2hza s HIS 87 N -0.36 1.09 -0.14 5.38 5.65 -1.26 -0.94 115.29 124.71 2hza s HIS 87 Ca 0.09 -0.35 -0.00 0.00 0.25 0.00 0.00 55.06 55.05 2hza s HIS 87 Cb -0.12 -0.84 0.03 0.00 -1.18 0.00 0.00 32.58 30.47 2hza s HIS 87 CO 0.02 -0.20 -0.09 0.08 -0.65 0.00 0.00 174.74 173.89 2hza s VAL 88 N 0.64 1.26 -1.06 0.89 1.01 0.22 -4.98 120.40 118.38 2hza s VAL 88 Ca -0.11 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 2hza s VAL 88 Cb -0.14 -1.29 0.06 0.00 0.00 0.00 0.00 36.38 35.01 2hza s VAL 88 CO 0.02 0.32 1.48 -1.00 0.00 0.00 0.00 175.10 175.92 2hza s HIS 89 N 1.60 2.62 0.24 5.22 3.76 -1.26 -1.41 115.29 126.05 2hza s HIS 89 Ca 0.03 -1.02 -0.06 0.00 -0.15 0.00 0.00 55.06 53.87 2hza s HIS 89 Cb -0.14 -4.68 0.23 0.00 1.11 0.00 0.00 32.58 29.11 2hza s HIS 89 CO -0.09 -1.89 1.80 -0.84 -0.85 0.00 0.00 174.74 172.87 2hza h ILE 90 N 6.51 1.25 -1.56 0.60 3.07 -1.87 -3.47 117.51 122.04 2hza h ILE 90 Ca 0.24 -0.81 0.00 0.00 1.55 0.00 0.00 64.86 65.84 2hza h ILE 90 Cb 0.99 0.39 0.00 0.00 -0.27 0.00 0.00 36.82 37.93 2hza h ILE 90 CO 1.41 0.33 0.00 -0.46 -1.05 0.00 0.00 178.15 178.38 2hza n ASN 91 N -4.28 0.00 0.16 2.16 0.23 -1.17 -5.01 115.26 107.36 2hza n ASN 91 Ca 0.06 -0.56 0.02 0.00 -0.53 0.00 0.00 54.58 53.58 2hza n ASN 91 Cb 0.19 0.00 0.38 0.00 -2.08 0.00 0.00 39.78 38.28 2hza n ASN 91 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 2hza h HIS 92 N 0.56 0.12 0.00 -2.53 -0.00 -2.03 -3.34 115.15 107.93 2hza h HIS 92 Ca 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 2hza h HIS 92 Cb 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.37 2hza h HIS 92 CO 0.00 0.36 -1.23 -0.25 -0.00 0.00 0.00 177.93 176.81 2hza n ASP 93 N -4.20 3.99 -4.88 3.10 8.00 -1.26 -5.00 116.55 116.30 2hza n ASP 93 Ca -0.02 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.13 2hza n ASP 93 Cb 0.33 1.01 -0.06 0.00 -0.02 0.00 0.00 41.12 42.38 2hza n ASP 93 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2hza s ASP 94 N -2.83 6.34 -0.02 -2.24 1.01 -1.26 -2.32 116.67 115.36 2hza s ASP 94 Ca -0.02 0.42 0.06 0.00 0.71 0.00 0.00 52.55 53.72 2hza s ASP 94 Cb 0.02 -2.03 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 2hza s ASP 94 CO 0.18 0.37 -0.20 0.00 0.21 0.00 0.00 175.17 175.72 2hza s LEU 96 N -0.39 2.82 0.00 0.00 2.96 -0.50 -1.23 118.68 122.35 2hza s LEU 96 Ca 0.06 -0.39 0.06 0.00 -0.22 0.00 0.00 54.13 53.64 2hza s LEU 96 Cb -0.09 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 2hza s LEU 96 CO -0.00 0.02 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.25 2hza s GLU 97 N 1.25 1.43 -0.17 1.98 2.02 -0.71 -0.61 118.70 123.88 2hza s GLU 97 Ca 0.03 -0.74 -0.00 0.00 0.02 0.00 0.00 54.97 54.28 2hza s GLU 97 Cb -0.14 -1.42 0.04 0.00 0.10 0.00 0.00 34.13 32.70 2hza s GLU 97 CO -0.03 0.38 -0.07 0.42 0.02 0.00 0.00 175.26 175.98 2hza s ILE 98 N -0.56 1.31 -0.19 -1.63 1.01 -0.11 -1.84 121.20 119.19 2hza s ILE 98 Ca 0.07 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 2hza s ILE 98 Cb -0.08 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 2hza s ILE 98 CO 0.00 0.17 0.05 0.00 0.00 0.00 0.00 174.94 175.16 2hza s ALA 99 N 1.55 3.27 -0.23 9.38 0.00 0.19 -0.53 121.76 135.38 2hza s ALA 99 Ca 0.00 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 50.96 2hza s ALA 99 Cb -0.15 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 2hza s ALA 99 CO -0.08 0.02 0.36 0.08 0.00 0.00 0.00 175.76 176.14 2hza s VAL 100 N 0.68 5.21 0.19 0.00 1.01 -0.30 -0.57 120.40 126.62 2hza s VAL 100 Ca 0.02 0.59 0.09 0.00 0.00 0.00 0.00 61.98 62.68 2hza s VAL 100 Cb -0.13 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2hza s VAL 100 CO 0.02 0.22 -0.07 -0.76 0.00 0.00 0.00 175.10 174.51 2hza s LEU 101 N 1.60 3.06 -0.04 3.92 1.43 -0.02 -1.62 118.68 127.02 2hza s LEU 101 Ca 0.16 -0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 2hza s LEU 101 Cb -0.15 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.37 2hza s LEU 101 CO 0.08 0.09 0.26 -0.75 0.23 0.00 0.00 176.35 176.27 2hza s LYS 102 N -2.94 0.53 0.00 1.70 2.20 0.14 -1.54 119.74 119.84 2hza s LYS 102 Ca 0.26 -0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 2hza s LYS 102 Cb -0.09 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 2hza s LYS 102 CO 0.16 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 2hza n GLY 103 N 1.76 0.60 0.00 5.54 0.00 -0.60 -4.40 105.19 108.10 2hza n GLY 103 Ca -0.19 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2hza n GLY 103 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hza n ASP 104 N 0.00 0.00 0.00 1.61 -0.08 -1.26 -1.61 116.55 115.21 2hza n ASP 104 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2hza n ASP 104 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2hza n ASP 104 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2hza n GLY 106 N 2.57 0.00 0.25 0.27 0.00 -1.26 -0.78 105.19 106.23 2hza n GLY 106 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2hza n GLY 106 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2hza h ASP 107 N 0.00 0.47 -0.16 1.61 3.32 -1.95 -2.60 116.42 117.11 2hza h ASP 107 Ca 0.00 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2hza h ASP 107 Cb 0.00 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2hza h ASP 107 CO 0.00 0.66 0.07 0.58 -1.72 0.00 0.00 179.24 178.83 2hza h VAL 108 N 0.44 1.15 -0.97 -1.35 2.07 -1.32 0.00 116.25 116.27 2hza h VAL 108 Ca 0.08 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.20 2hza h VAL 108 Cb 0.55 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 2hza h VAL 108 CO 0.04 0.14 0.63 1.56 0.02 0.00 0.00 177.57 179.96 2hza h GLN 109 N 0.11 1.14 -0.17 1.57 4.20 -1.76 0.17 115.11 120.35 2hza h GLN 109 Ca 0.05 -0.07 -0.19 0.00 0.06 0.00 0.00 58.65 58.51 2hza h GLN 109 Cb 0.16 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2hza h GLN 109 CO -0.00 0.75 -0.65 0.45 -0.67 0.00 0.00 178.83 178.70 2hza h HIS 110 N 1.17 0.85 -0.47 2.96 3.86 -1.28 -2.40 115.15 119.84 2hza h HIS 110 Ca 0.40 -0.34 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2hza h HIS 110 Cb 0.10 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 2hza h HIS 110 CO -0.00 1.13 0.27 0.35 0.86 0.00 0.00 177.93 180.53 2hza h PHE 111 N 0.48 0.63 -0.44 2.45 3.57 -0.03 -1.24 116.94 122.35 2hza h PHE 111 Ca -0.02 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 2hza h PHE 111 Cb 1.24 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 2hza h PHE 111 CO 0.06 0.44 -0.01 0.00 -2.23 0.00 0.00 178.31 176.56 2hza h ALA 112 N 1.64 0.60 -0.99 2.41 0.00 -0.36 -2.63 119.26 119.92 2hza h ALA 112 Ca 0.17 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2hza h ALA 112 Cb 0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2hza h ALA 112 CO -0.03 0.41 0.64 -0.44 0.00 0.00 0.00 179.25 179.83 2hza h ASP 113 N 0.64 1.15 -0.61 0.00 3.45 -0.84 -1.55 116.42 118.66 2hza h ASP 113 Ca 0.12 -0.04 0.04 0.00 0.43 0.00 0.00 57.03 57.59 2hza h ASP 113 Cb 0.52 -0.29 -0.04 0.00 -0.56 0.00 0.00 39.33 38.96 2hza h ASP 113 CO 0.03 0.85 0.41 0.44 -1.57 0.00 0.00 179.24 179.39 2hza h ASP 114 N 1.35 0.58 0.00 6.45 3.32 -0.91 -1.79 116.42 125.42 2hza h ASP 114 Ca 0.36 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.34 2hza h ASP 114 Cb -0.13 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 2hza h ASP 114 CO -0.08 0.39 -0.41 0.58 -1.72 0.00 0.00 179.24 178.01 2hza h VAL 115 N 0.67 1.02 0.00 -1.35 2.07 -1.12 -3.42 116.25 114.11 2hza h VAL 115 Ca 0.25 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.87 2hza h VAL 115 Cb 0.16 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2hza h VAL 115 CO -0.07 0.35 -1.32 2.30 0.02 0.00 0.00 177.57 178.84 2hza n ILE 116 N -4.59 0.22 -1.40 4.57 -5.35 -0.64 -4.57 119.36 107.60 2hza n ILE 116 Ca -0.14 -0.39 -0.35 0.00 -0.27 0.00 0.00 62.75 61.61 2hza n ILE 116 Cb 0.42 0.05 -0.05 0.00 -1.74 0.00 0.00 39.64 38.32 2hza n ILE 116 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2hza n ALA 117 N -2.03 7.23 -3.31 -1.28 0.00 -0.68 -4.74 120.51 115.69 2hza n ALA 117 Ca -0.00 -3.36 -0.09 0.00 0.00 0.00 0.00 53.44 49.98 2hza n ALA 117 Cb 0.50 -3.06 -0.04 0.00 0.00 0.00 0.00 19.45 16.85 2hza n ALA 117 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2hza s GLN 118 N 1.23 1.40 0.40 0.00 -2.07 -1.26 -4.95 119.66 114.41 2hza s GLN 118 Ca 0.66 -0.89 -0.26 0.00 -1.82 0.00 0.00 55.36 53.04 2hza s GLN 118 Cb 0.21 0.52 -0.09 0.00 -1.09 0.00 0.00 33.01 32.56 2hza s GLN 118 CO -0.06 -0.60 1.34 -0.98 -1.32 0.00 0.00 175.29 173.67 2hza s ARG 119 N -3.88 3.99 0.00 9.60 1.70 -1.26 -2.82 118.95 126.27 2hza s ARG 119 Ca 0.10 2.24 0.00 0.00 -0.47 0.00 0.00 55.73 57.60 2hza s ARG 119 Cb -0.01 -2.80 0.00 0.00 -0.57 0.00 0.00 34.95 31.57 2hza s ARG 119 CO -0.02 -0.50 0.00 0.41 -1.08 0.00 0.00 175.30 174.11 2hza n GLY 120 N 0.65 1.56 3.56 3.88 0.00 -1.26 -5.03 105.19 108.56 2hza n GLY 120 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2hza n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hza s VAL 121 N -2.36 4.60 0.30 1.61 1.01 -1.13 -3.72 120.40 120.71 2hza s VAL 121 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 61.96 2hza s VAL 121 Cb 0.00 -3.10 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 2hza s VAL 121 CO 0.00 0.41 -0.04 -0.13 0.00 0.00 0.00 175.10 175.34 2hza s ARG 122 N 0.84 1.63 -1.04 2.72 3.00 0.91 -4.79 118.95 122.23 2hza s ARG 122 Ca 0.04 -1.84 -0.01 0.00 0.00 0.00 0.00 55.73 53.91 2hza s ARG 122 Cb -0.14 -1.23 0.00 0.00 0.00 0.00 0.00 34.95 33.59 2hza s ARG 122 CO 0.02 0.02 0.04 0.72 0.00 0.00 0.00 175.30 176.10 2hza n HIS 123 N -0.65 -1.47 -2.14 -0.53 8.25 -1.26 -0.46 115.22 116.96 2hza n HIS 123 Ca -0.05 0.04 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2hza n HIS 123 Cb 0.64 -2.73 -0.03 0.00 1.12 0.00 0.00 29.99 28.99 2hza n HIS 123 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2hza s GLY 124 N -2.08 1.94 -0.05 -1.41 0.00 -1.26 -4.26 107.32 100.20 2hza s GLY 124 Ca 0.03 1.15 -0.05 0.00 0.00 0.00 0.00 44.72 45.85 2hza s GLY 124 CO 0.04 2.37 0.13 -1.58 0.00 0.00 0.00 173.10 174.06 2hza s HIS 125 N 1.08 -0.14 -0.09 1.90 5.04 0.16 -4.99 115.29 118.24 2hza s HIS 125 Ca 0.65 0.36 0.03 0.00 -1.54 0.00 0.00 55.06 54.56 2hza s HIS 125 Cb -0.38 0.05 0.00 0.00 0.04 0.00 0.00 32.58 32.29 2hza s HIS 125 CO 0.31 -0.07 -0.21 -1.17 -2.34 0.00 0.00 174.74 171.26 2hza s LEU 126 N 0.09 1.96 -0.21 8.88 2.96 -1.26 -1.53 118.68 129.57 2hza s LEU 126 Ca -0.00 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 2hza s LEU 126 Cb -0.01 -1.25 0.04 0.00 0.50 0.00 0.00 46.19 45.47 2hza s LEU 126 CO 0.00 0.12 -0.15 -1.58 -1.32 0.00 0.00 176.35 173.42 2hza s GLN 127 N 0.45 2.55 0.10 1.98 0.74 -0.16 -4.98 119.66 120.35 2hza s GLN 127 Ca -0.17 -1.00 -0.14 0.00 0.05 0.00 0.00 55.36 54.10 2hza s GLN 127 Cb -0.17 -2.63 -0.06 0.00 1.10 0.00 0.00 33.01 31.24 2hza s GLN 127 CO 0.07 -0.37 0.50 0.00 -0.55 0.00 0.00 175.29 174.94 2hza n LEU 129 N 1.10 0.08 -4.77 0.00 4.77 0.58 -4.95 117.00 113.81 2hza n LEU 129 Ca -0.08 -4.53 -0.35 0.00 -0.03 0.00 0.00 56.01 51.01 2hza n LEU 129 Cb 0.52 0.39 0.01 0.00 -2.33 0.00 0.00 43.42 42.01 2hza n LEU 129 CO 0.41 1.88 0.80 -2.16 -1.33 0.00 0.00 177.39 177.00 2hza s PRO 130 N -0.35 3.32 0.00 3.23 0.04 -1.26 -1.21 135.00 138.78 2hza s PRO 130 Ca 0.33 1.68 0.32 0.00 0.04 0.00 0.00 61.00 63.36 2hza s PRO 130 Cb 0.05 -2.03 1.84 0.00 0.04 0.00 0.00 34.50 34.40 2hza s PRO 130 CO -0.18 -0.89 2.19 0.36 0.04 0.00 0.00 177.00 178.52