#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6o s LEU 2 N 0.00 4.51 0.51 3.17 1.43 -1.26 -0.49 118.68 126.55 1r6o s LEU 2 Ca 0.00 1.67 -0.22 0.00 -1.03 0.00 0.00 54.13 54.55 1r6o s LEU 2 Cb 0.00 -3.43 -0.06 0.00 0.03 0.00 0.00 46.19 42.73 1r6o s LEU 2 CO 0.00 0.01 1.30 0.21 0.23 0.00 0.00 176.35 178.10 1r6o s ASN 3 N -0.25 5.59 0.39 2.29 2.47 0.02 -4.77 114.94 120.68 1r6o s ASN 3 Ca 0.42 2.63 0.11 0.00 0.42 0.00 0.00 52.86 56.44 1r6o s ASN 3 Cb -0.23 -2.63 0.91 0.00 -1.45 0.00 0.00 41.25 37.86 1r6o s ASN 3 CO 0.27 -1.34 1.92 0.06 -3.72 0.00 0.00 177.10 174.29 1r6o h GLN 4 N 1.69 0.55 -0.04 0.43 3.07 -1.96 0.68 115.11 119.54 1r6o h GLN 4 Ca -0.50 -0.03 -0.09 0.00 0.09 0.00 0.00 58.65 58.11 1r6o h GLN 4 Cb 1.28 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 28.70 1r6o h GLN 4 CO 0.58 0.37 -0.41 0.93 0.09 0.00 0.00 178.83 180.39 1r6o h GLU 5 N 0.57 0.09 -0.03 0.06 3.07 -1.95 -1.74 114.58 114.65 1r6o h GLU 5 Ca 0.37 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.14 1r6o h GLU 5 Cb 0.63 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1r6o h GLU 5 CO -0.13 0.49 -0.16 1.25 -1.40 0.00 0.00 179.01 179.06 1r6o h LEU 6 N 0.08 0.19 -0.84 1.33 5.85 -1.24 -2.17 115.31 118.51 1r6o h LEU 6 Ca 0.01 -0.66 0.13 0.00 0.84 0.00 0.00 57.88 58.19 1r6o h LEU 6 Cb 0.76 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.65 1r6o h LEU 6 CO 0.06 0.83 0.45 -0.08 -0.34 0.00 0.00 178.44 179.35 1r6o h GLU 7 N -0.43 0.67 -0.57 1.25 4.81 -1.09 0.62 114.58 119.85 1r6o h GLU 7 Ca -0.01 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1r6o h GLU 7 Cb 0.82 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1r6o h GLU 7 CO 0.03 0.44 0.34 1.25 -0.73 0.00 0.00 179.01 180.34 1r6o h LEU 8 N 0.69 0.69 -0.59 1.64 6.46 -1.28 -0.52 115.31 122.39 1r6o h LEU 8 Ca 0.44 -0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 58.06 1r6o h LEU 8 Cb 0.53 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1r6o h LEU 8 CO -0.32 0.55 0.09 0.28 -0.62 0.00 0.00 178.44 178.42 1r6o h SER 9 N 0.77 0.95 -0.56 1.25 0.02 -0.50 -0.55 113.55 114.93 1r6o h SER 9 Ca 0.20 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1r6o h SER 9 Cb -0.01 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 1r6o h SER 9 CO -0.04 0.97 0.12 -0.07 -1.14 0.00 0.00 176.83 176.68 1r6o h LEU 10 N 0.88 0.86 -1.04 5.07 3.38 -0.71 -1.21 115.31 122.54 1r6o h LEU 10 Ca 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1r6o h LEU 10 Cb 0.43 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1r6o h LEU 10 CO 0.01 0.88 0.38 0.78 0.09 0.00 0.00 178.44 180.58 1r6o h ASN 11 N 0.80 0.95 -0.45 -0.43 2.35 -0.83 -1.71 115.58 116.26 1r6o h ASN 11 Ca 0.17 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.72 1r6o h ASN 11 Cb 0.37 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1r6o h ASN 11 CO 0.00 0.79 -0.14 -0.03 -1.65 0.00 0.00 177.43 176.41 1r6o h MET 12 N 1.06 0.88 -0.38 0.81 4.05 -0.80 0.15 114.93 120.70 1r6o h MET 12 Ca 0.26 -0.35 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 1r6o h MET 12 Cb 0.07 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 1r6o h MET 12 CO -0.04 1.00 0.21 0.00 0.23 0.00 0.00 176.91 178.31 1r6o h ALA 13 N 0.86 0.49 -0.41 0.39 0.00 -0.97 0.21 119.26 119.83 1r6o h ALA 13 Ca 0.11 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1r6o h ALA 13 Cb 0.69 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1r6o h ALA 13 CO 0.05 0.02 -0.02 0.35 0.00 0.00 0.00 179.25 179.64 1r6o h PHE 14 N 0.49 0.82 -0.62 0.00 3.57 -1.20 -2.20 116.94 117.79 1r6o h PHE 14 Ca 0.13 -0.15 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 1r6o h PHE 14 Cb 0.06 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 1r6o h PHE 14 CO -0.03 0.83 0.18 0.00 -2.23 0.00 0.00 178.31 177.06 1r6o h ALA 15 N 0.88 0.81 -0.23 2.41 0.00 -0.50 -0.76 119.26 121.88 1r6o h ALA 15 Ca 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1r6o h ALA 15 Cb 0.51 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1r6o h ALA 15 CO 0.03 0.50 0.12 0.00 0.00 0.00 0.00 179.25 179.89 1r6o h ARG 16 N 0.89 0.32 -0.71 0.00 -0.00 -0.90 0.33 114.38 114.31 1r6o h ARG 16 Ca 0.20 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.63 1r6o h ARG 16 Cb 0.31 -0.06 -0.03 0.00 0.00 0.00 0.00 29.97 30.18 1r6o h ARG 16 CO -0.00 0.31 0.42 0.00 0.00 0.00 0.00 179.97 180.69 1r6o h ALA 17 N 1.00 0.90 -0.14 0.04 0.00 -1.26 -2.51 119.26 117.30 1r6o h ALA 17 Ca 0.08 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1r6o h ALA 17 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1r6o h ALA 17 CO -0.01 0.39 -0.48 -0.09 0.00 0.00 0.00 179.25 179.06 1r6o h ARG 18 N 0.97 0.35 -0.99 0.00 2.43 -0.94 -1.02 114.38 115.18 1r6o h ARG 18 Ca 0.25 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1r6o h ARG 18 Cb -0.01 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1r6o h ARG 18 CO -0.05 0.76 0.66 1.49 -1.51 0.00 0.00 179.97 181.32 1r6o h GLU 19 N 0.28 1.28 -0.22 0.20 4.57 -0.48 -0.72 114.58 119.48 1r6o h GLU 19 Ca 0.02 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1r6o h GLU 19 Cb 0.95 -0.29 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1r6o h GLU 19 CO 0.08 0.85 0.00 0.72 -1.18 0.00 0.00 179.01 179.48 1r6o n HIS 20 N -4.41 0.29 -2.78 0.92 8.25 -1.12 -4.91 115.22 111.46 1r6o n HIS 20 Ca 0.12 -0.15 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 1r6o n HIS 20 Cb 0.03 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.16 1r6o n HIS 20 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1r6o n ARG 21 N 0.29 -3.70 -2.09 -0.41 5.12 -0.28 -4.82 116.66 110.77 1r6o n ARG 21 Ca 0.13 0.96 -0.39 0.00 -1.93 0.00 0.00 57.85 56.62 1r6o n ARG 21 Cb 0.28 -5.75 -0.00 0.00 -1.16 0.00 0.00 32.46 25.82 1r6o n ARG 21 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1r6o s HIS 22 N -3.14 2.82 0.24 -1.55 3.76 -0.40 -0.44 115.29 116.58 1r6o s HIS 22 Ca 0.19 1.44 0.18 0.00 -0.15 0.00 0.00 55.06 56.73 1r6o s HIS 22 Cb -0.08 -3.61 0.77 0.00 1.11 0.00 0.00 32.58 30.77 1r6o s HIS 22 CO 0.23 -1.97 1.78 1.49 -0.85 0.00 0.00 174.74 175.43 1r6o h GLU 23 N 2.51 0.00 -4.81 1.40 4.81 -0.99 -3.39 114.58 114.12 1r6o h GLU 23 Ca -0.50 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.41 1r6o h GLU 23 Cb 1.25 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.41 1r6o h GLU 23 CO 0.62 0.36 -0.75 -0.06 -0.73 0.00 0.00 179.01 178.45 1r6o s PHE 24 N -3.78 0.84 -0.31 0.92 0.08 -1.26 -1.50 117.98 112.97 1r6o s PHE 24 Ca -0.01 -0.47 -0.10 0.00 0.12 0.00 0.00 56.93 56.47 1r6o s PHE 24 Cb 0.12 -0.49 -0.01 0.00 -0.57 0.00 0.00 43.02 42.07 1r6o s PHE 24 CO 0.68 -0.04 0.16 1.41 -0.10 0.00 0.00 175.22 177.33 1r6o s MET 25 N -1.57 3.32 0.51 0.44 -2.45 0.84 -4.82 119.30 115.56 1r6o s MET 25 Ca -0.07 -0.73 0.09 0.00 -1.25 0.00 0.00 55.69 53.73 1r6o s MET 25 Cb -0.10 -3.58 0.05 0.00 1.25 0.00 0.00 34.83 32.46 1r6o s MET 25 CO 0.01 -0.43 0.68 0.95 1.05 0.00 0.00 175.02 177.28 1r6o s THR 26 N 1.61 2.51 0.29 10.11 -4.23 -1.26 -1.64 115.64 123.03 1r6o s THR 26 Ca 0.04 -1.02 0.34 0.00 -1.18 0.00 0.00 61.69 59.88 1r6o s THR 26 Cb -0.17 -2.52 0.37 0.00 1.34 0.00 0.00 72.50 71.52 1r6o s THR 26 CO 0.06 0.00 2.07 0.58 -0.54 0.00 0.00 174.62 176.79 1r6o h VAL 27 N 0.40 0.17 -0.06 2.29 2.07 -1.95 -1.52 116.25 117.65 1r6o h VAL 27 Ca -0.34 -0.47 -0.22 0.00 0.82 0.00 0.00 66.70 66.48 1r6o h VAL 27 Cb 1.28 1.40 0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1r6o h VAL 27 CO 0.43 0.05 -0.87 -0.33 0.02 0.00 0.00 177.57 176.87 1r6o h GLU 28 N 0.00 0.57 -0.69 1.57 3.07 -1.98 0.80 114.58 117.92 1r6o h GLU 28 Ca -0.00 -0.53 -0.03 0.00 -0.50 0.00 0.00 59.36 58.30 1r6o h GLU 28 Cb 0.39 0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 1r6o h GLU 28 CO 0.01 1.16 0.32 0.45 -1.40 0.00 0.00 179.01 179.54 1r6o h HIS 29 N 0.35 1.00 0.46 4.33 3.86 -1.77 -0.59 115.15 122.79 1r6o h HIS 29 Ca -0.07 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 1r6o h HIS 29 Cb 1.49 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1r6o h HIS 29 CO 0.07 0.75 -0.22 1.25 0.86 0.00 0.00 177.93 180.64 1r6o h LEU 30 N 0.96 -0.52 -0.99 2.43 5.85 -1.13 -1.02 115.31 120.89 1r6o h LEU 30 Ca 0.23 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1r6o h LEU 30 Cb 0.14 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1r6o h LEU 30 CO -0.03 -0.34 0.64 0.25 -0.34 0.00 0.00 178.44 178.62 1r6o h LEU 31 N -0.65 1.05 -0.62 2.25 5.85 -0.74 -0.48 115.31 121.98 1r6o h LEU 31 Ca -0.06 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1r6o h LEU 31 Cb 0.49 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1r6o h LEU 31 CO 0.10 0.70 0.41 0.25 -0.34 0.00 0.00 178.44 179.56 1r6o h LEU 32 N 1.21 0.70 -0.82 2.25 5.85 -0.86 -1.77 115.31 121.86 1r6o h LEU 32 Ca 0.40 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 59.00 1r6o h LEU 32 Cb 0.06 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1r6o h LEU 32 CO -0.14 0.50 -0.26 0.00 -0.34 0.00 0.00 178.44 178.20 1r6o h ALA 33 N 1.23 0.99 0.00 1.25 0.00 -0.54 -2.91 119.26 119.29 1r6o h ALA 33 Ca 0.23 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1r6o h ALA 33 Cb -0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1r6o h ALA 33 CO -0.06 0.59 -0.01 -0.07 0.00 0.00 0.00 179.25 179.71 1r6o h LEU 34 N 0.52 0.00 -2.18 0.00 3.38 -0.24 -2.63 115.31 114.16 1r6o h LEU 34 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1r6o h LEU 34 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1r6o h LEU 34 CO 0.05 0.01 -0.05 -0.07 0.09 0.00 0.00 178.44 178.48 1r6o h LEU 35 N 0.00 0.00 -2.88 1.67 3.38 -1.23 -1.51 115.31 114.73 1r6o h LEU 35 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r6o h LEU 35 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1r6o h LEU 35 CO 0.00 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 177.04 1r6o n SER 36 N -3.95 2.98 -4.61 -0.43 3.41 -0.99 -4.57 113.62 105.46 1r6o n SER 36 Ca -0.03 -2.01 -0.42 0.00 -0.26 0.00 0.00 58.87 56.15 1r6o n SER 36 Cb 0.14 -0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 1r6o n SER 36 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1r6o s ASN 37 N -1.01 6.66 0.20 4.04 3.84 -0.57 -4.96 114.94 123.14 1r6o s ASN 37 Ca 0.24 0.61 -0.16 0.00 0.21 0.00 0.00 52.86 53.77 1r6o s ASN 37 Cb 0.13 -2.42 0.19 0.00 -0.55 0.00 0.00 41.25 38.60 1r6o s ASN 37 CO 0.16 -0.67 1.62 -0.65 -2.79 0.00 0.00 177.10 174.78 1r6o h PRO 38 N 8.22 -0.04 -0.64 0.43 0.11 -1.90 0.18 132.00 138.35 1r6o h PRO 38 Ca -0.24 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.94 1r6o h PRO 38 Cb 1.09 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1r6o h PRO 38 CO 0.90 -0.03 0.33 1.03 -0.21 0.00 0.00 178.00 180.02 1r6o h SER 39 N -0.05 0.46 0.12 -2.05 0.87 -1.92 -0.24 113.55 110.73 1r6o h SER 39 Ca 0.27 0.04 -0.29 0.00 -1.23 0.00 0.00 61.79 60.58 1r6o h SER 39 Cb 0.46 -0.04 0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1r6o h SER 39 CO -0.61 0.29 -1.21 0.00 -0.53 0.00 0.00 176.83 174.76 1r6o h ALA 40 N 1.36 0.02 -0.44 6.23 0.00 -1.57 -3.24 119.26 121.62 1r6o h ALA 40 Ca 0.30 -0.76 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1r6o h ALA 40 Cb 0.24 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1r6o h ALA 40 CO -0.21 0.70 0.27 -0.09 0.00 0.00 0.00 179.25 179.92 1r6o h ARG 41 N 0.30 0.54 -0.73 0.00 2.43 -0.42 -1.79 114.38 114.71 1r6o h ARG 41 Ca -0.18 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.03 1r6o h ARG 41 Cb 1.88 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 31.25 1r6o h ARG 41 CO 0.23 0.36 0.41 0.93 -1.51 0.00 0.00 179.97 180.39 1r6o h GLU 42 N 0.55 0.71 -0.56 0.20 4.39 -1.13 0.18 114.58 118.91 1r6o h GLU 42 Ca 0.17 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1r6o h GLU 42 Cb -0.02 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 1r6o h GLU 42 CO -0.06 0.47 0.28 0.00 -1.16 0.00 0.00 179.01 178.54 1r6o h ALA 43 N 1.39 0.72 -0.23 3.43 0.00 -1.49 -1.30 119.26 121.78 1r6o h ALA 43 Ca 0.34 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1r6o h ALA 43 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1r6o h ALA 43 CO -0.21 0.27 -0.33 -0.07 0.00 0.00 0.00 179.25 178.92 1r6o h LEU 44 N 0.76 0.50 -0.94 0.00 3.38 -0.41 -2.66 115.31 115.94 1r6o h LEU 44 Ca 0.19 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1r6o h LEU 44 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1r6o h LEU 44 CO -0.03 0.80 -0.49 -0.33 0.09 0.00 0.00 178.44 178.48 1r6o h GLU 45 N 0.41 0.10 0.00 1.13 5.08 -0.42 -2.06 114.58 118.83 1r6o h GLU 45 Ca 0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1r6o h GLU 45 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1r6o h GLU 45 CO 0.06 0.57 0.00 0.00 -1.00 0.00 0.00 179.01 178.64 1r6o h ALA 46 N 1.42 1.00 -0.69 3.43 0.00 -0.90 -1.71 119.26 121.81 1r6o h ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r6o h ALA 46 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1r6o h ALA 46 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1r6o n SER 48 N 1.43 -4.74 -4.72 0.00 7.64 -0.64 -4.93 113.62 107.65 1r6o n SER 48 Ca 0.24 -0.76 -0.41 0.00 1.01 0.00 0.00 58.87 58.95 1r6o n SER 48 Cb 0.70 -4.00 -0.04 0.00 -1.01 0.00 0.00 64.21 59.86 1r6o n SER 48 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1r6o s VAL 49 N -3.33 4.73 -0.71 0.44 1.01 -0.91 -4.97 120.40 116.67 1r6o s VAL 49 Ca 0.62 1.97 -0.26 0.00 0.00 0.00 0.00 61.98 64.31 1r6o s VAL 49 Cb -0.31 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 1r6o s VAL 49 CO 0.82 0.25 1.69 -0.62 0.00 0.00 0.00 175.10 177.24 1r6o s ASP 50 N 0.49 5.56 0.42 3.32 -1.08 -1.26 -4.81 116.67 119.31 1r6o s ASP 50 Ca 0.47 -0.11 0.21 0.00 -0.52 0.00 0.00 52.55 52.60 1r6o s ASP 50 Cb -0.22 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.61 1r6o s ASP 50 CO 0.27 -2.23 1.84 -0.07 0.52 0.00 0.00 175.17 175.51 1r6o h LEU 51 N 15.50 0.00 0.08 -1.34 3.38 -1.96 -2.15 115.31 128.82 1r6o h LEU 51 Ca -0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1r6o h LEU 51 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1r6o h LEU 51 CO 1.25 0.28 -0.04 0.58 0.09 0.00 0.00 178.44 180.60 1r6o h VAL 52 N 0.00 1.17 -0.82 1.22 2.07 -2.00 -2.14 116.25 115.75 1r6o h VAL 52 Ca -0.00 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 1r6o h VAL 52 Cb 0.71 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 1r6o h VAL 52 CO 0.04 0.24 0.42 0.00 0.02 0.00 0.00 177.57 178.28 1r6o h ALA 53 N 0.31 1.06 -0.62 1.67 0.00 -1.96 -1.69 119.26 118.03 1r6o h ALA 53 Ca -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1r6o h ALA 53 Cb 0.47 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1r6o h ALA 53 CO 0.02 0.60 0.14 1.25 0.00 0.00 0.00 179.25 181.26 1r6o h LEU 54 N 1.16 0.96 -0.39 0.00 5.85 -1.45 -0.81 115.31 120.63 1r6o h LEU 54 Ca 0.29 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1r6o h LEU 54 Cb 0.08 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1r6o h LEU 54 CO -0.04 0.95 0.26 -0.09 -0.34 0.00 0.00 178.44 179.18 1r6o h ARG 55 N 0.92 0.52 -0.53 1.25 2.43 -1.05 -1.26 114.38 116.67 1r6o h ARG 55 Ca 0.19 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1r6o h ARG 55 Cb 0.37 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1r6o h ARG 55 CO 0.00 0.34 0.29 1.96 -1.51 0.00 0.00 179.97 181.05 1r6o h GLN 56 N 0.53 0.74 -0.62 0.20 4.20 -1.04 -0.95 115.11 118.17 1r6o h GLN 56 Ca 0.14 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 1r6o h GLN 56 Cb -0.06 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 1r6o h GLN 56 CO -0.03 0.58 0.11 0.93 -0.67 0.00 0.00 178.83 179.75 1r6o h GLU 57 N 0.71 1.00 -0.13 1.46 5.08 -0.95 -1.32 114.58 120.42 1r6o h GLU 57 Ca 0.19 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1r6o h GLU 57 Cb 0.06 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1r6o h GLU 57 CO -0.03 0.91 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.78 1r6o h LEU 58 N 0.94 0.27 -0.54 1.33 3.38 -0.97 -2.30 115.31 117.41 1r6o h LEU 58 Ca 0.19 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1r6o h LEU 58 Cb 0.39 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1r6o h LEU 58 CO 0.01 0.59 0.33 -0.33 0.09 0.00 0.00 178.44 179.13 1r6o h GLU 59 N -0.06 0.65 -0.42 1.13 5.08 -1.07 0.77 114.58 120.65 1r6o h GLU 59 Ca 0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1r6o h GLU 59 Cb 0.48 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1r6o h GLU 59 CO 0.02 0.43 0.25 0.00 -1.00 0.00 0.00 179.01 178.70 1r6o h ALA 60 N 1.23 0.54 -0.29 3.43 0.00 -1.24 -1.15 119.26 121.79 1r6o h ALA 60 Ca 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1r6o h ALA 60 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1r6o h ALA 60 CO -0.09 0.05 0.09 0.35 0.00 0.00 0.00 179.25 179.65 1r6o h PHE 61 N 0.56 0.46 -0.22 0.00 3.57 -1.09 -2.01 116.94 118.21 1r6o h PHE 61 Ca 0.15 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1r6o h PHE 61 Cb 0.02 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1r6o h PHE 61 CO -0.03 0.48 0.04 0.82 -2.23 0.00 0.00 178.31 177.39 1r6o h ILE 62 N 0.30 0.90 -0.15 1.41 2.04 -0.66 -1.39 117.51 119.97 1r6o h ILE 62 Ca 0.09 -0.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.81 1r6o h ILE 62 Cb 0.24 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1r6o h ILE 62 CO -0.00 0.02 -0.37 -0.33 0.00 0.00 0.00 178.15 177.47 1r6o h GLU 63 N 0.12 0.31 0.00 2.37 4.39 -1.15 -1.39 114.58 119.23 1r6o h GLU 63 Ca 0.10 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1r6o h GLU 63 Cb 0.10 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1r6o h GLU 63 CO -0.14 0.64 -0.63 0.00 -1.16 0.00 0.00 179.01 177.72 1r6o n GLN 64 N -4.06 0.14 0.00 2.33 10.64 -0.76 -4.42 117.38 121.25 1r6o n GLN 64 Ca -0.01 0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1r6o n GLN 64 Cb 0.46 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 28.27 1r6o n GLN 64 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1r6o n THR 65 N -1.76 0.00 -3.33 -0.39 -2.24 -0.53 -5.00 114.28 101.02 1r6o n THR 65 Ca 0.04 -0.44 -0.40 0.00 -2.27 0.00 0.00 64.05 60.98 1r6o n THR 65 Cb 0.38 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.54 1r6o n THR 65 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1r6o s THR 66 N -0.75 5.12 0.48 4.28 2.01 -0.53 -5.05 115.64 121.20 1r6o s THR 66 Ca 0.00 0.39 -0.24 0.00 0.31 0.00 0.00 61.69 62.16 1r6o s THR 66 Cb 0.00 -3.82 -0.07 0.00 0.01 0.00 0.00 72.50 68.62 1r6o s THR 66 CO 0.00 -0.03 1.35 -2.84 -0.69 0.00 0.00 174.62 172.42 1r6o s PRO 67 N 2.18 3.52 -0.12 4.92 0.02 -1.26 -4.84 135.00 139.42 1r6o s PRO 67 Ca 0.16 2.24 -0.03 0.00 0.02 0.00 0.00 61.00 63.38 1r6o s PRO 67 Cb -0.16 -2.49 -0.03 0.00 0.02 0.00 0.00 34.50 31.84 1r6o s PRO 67 CO 0.11 -0.89 0.01 0.08 -0.33 0.00 0.00 177.00 175.98 1r6o s VAL 68 N -1.29 4.36 0.36 3.83 1.01 -1.26 -0.32 120.40 127.09 1r6o s VAL 68 Ca 0.65 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 62.13 1r6o s VAL 68 Cb -0.40 -2.87 -0.11 0.00 0.00 0.00 0.00 36.38 33.00 1r6o s VAL 68 CO 0.50 0.56 1.43 -0.76 0.00 0.00 0.00 175.10 176.83 1r6o s LEU 69 N -0.44 4.35 0.43 3.92 1.43 0.41 -4.81 118.68 123.97 1r6o s LEU 69 Ca 0.08 2.93 -0.26 0.00 -1.03 0.00 0.00 54.13 55.85 1r6o s LEU 69 Cb -0.12 -3.66 -0.09 0.00 0.03 0.00 0.00 46.19 42.35 1r6o s LEU 69 CO 0.02 -0.76 1.39 -2.84 0.23 0.00 0.00 176.35 174.38 1r6o s PRO 70 N -1.96 3.83 0.60 1.29 0.02 -1.26 -4.87 135.00 132.64 1r6o s PRO 70 Ca 0.52 2.33 0.29 0.00 0.02 0.00 0.00 61.00 64.16 1r6o s PRO 70 Cb -0.44 -2.72 1.51 0.00 0.02 0.00 0.00 34.50 32.86 1r6o s PRO 70 CO 0.59 -0.67 1.92 0.00 -0.33 0.00 0.00 177.00 178.51 1r6o h ALA 71 N 2.52 2.06 -0.14 -1.55 0.00 -2.00 -1.42 119.26 118.73 1r6o h ALA 71 Ca -0.50 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1r6o h ALA 71 Cb 1.26 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1r6o h ALA 71 CO 0.62 -0.63 -0.01 0.77 0.00 0.00 0.00 179.25 180.00 1r6o h SER 72 N 0.00 0.24 -1.22 0.00 0.02 -2.03 -3.42 113.55 107.14 1r6o h SER 72 Ca 0.18 -0.32 -0.42 0.00 -0.84 0.00 0.00 61.79 60.39 1r6o h SER 72 Cb 1.06 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1r6o h SER 72 CO -0.00 0.51 1.50 -0.62 -1.14 0.00 0.00 176.83 177.08 1r6o n GLU 73 N -4.76 0.82 0.00 3.45 -0.58 -0.54 -4.76 120.64 114.27 1r6o n GLU 73 Ca -0.06 -0.09 0.09 0.00 -0.42 0.00 0.00 57.16 56.69 1r6o n GLU 73 Cb 0.22 -3.16 0.05 0.00 -0.57 0.00 0.00 31.44 27.99 1r6o n GLU 73 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1r6o n GLU 74 N 8.85 1.61 -0.10 3.49 0.28 -1.26 -4.58 120.64 128.93 1r6o n GLU 74 Ca 0.43 -1.37 -0.20 0.00 -0.16 0.00 0.00 57.16 55.86 1r6o n GLU 74 Cb 0.46 -1.35 -0.08 0.00 1.43 0.00 0.00 31.44 31.89 1r6o n GLU 74 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1r6o n GLU 75 N 0.67 0.45 -1.90 3.44 4.07 -1.26 -4.99 120.64 121.13 1r6o n GLU 75 Ca 0.10 0.17 -0.42 0.00 -0.06 0.00 0.00 57.16 56.95 1r6o n GLU 75 Cb 0.44 -1.28 -0.03 0.00 -0.06 0.00 0.00 31.44 30.51 1r6o n GLU 75 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1r6o s ARG 76 N -2.38 4.20 0.38 5.31 1.81 -1.26 -5.02 118.95 121.98 1r6o s ARG 76 Ca -0.28 2.41 0.08 0.00 -1.72 0.00 0.00 55.73 56.21 1r6o s ARG 76 Cb 0.10 -3.13 -0.03 0.00 -0.45 0.00 0.00 34.95 31.43 1r6o s ARG 76 CO 0.39 -0.63 0.25 0.34 -0.68 0.00 0.00 175.30 174.98 1r6o s ASP 77 N 1.10 4.84 0.19 0.23 2.15 -1.26 -5.05 116.67 118.87 1r6o s ASP 77 Ca 0.70 -0.79 -0.31 0.00 0.43 0.00 0.00 52.55 52.58 1r6o s ASP 77 Cb -0.45 -0.66 -0.10 0.00 -0.30 0.00 0.00 42.92 41.42 1r6o s ASP 77 CO 0.32 -0.48 1.49 -0.89 -0.17 0.00 0.00 175.17 175.44 1r6o s THR 78 N -2.46 2.75 -0.03 1.71 2.01 -1.26 -4.92 115.64 113.44 1r6o s THR 78 Ca 0.42 0.57 0.07 0.00 0.31 0.00 0.00 61.69 63.07 1r6o s THR 78 Cb -0.02 -3.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 1r6o s THR 78 CO 0.25 0.06 -0.25 -1.58 -0.69 0.00 0.00 174.62 172.41 1r6o s GLN 79 N 0.57 2.20 0.43 4.92 0.74 -0.56 -4.87 119.66 123.09 1r6o s GLN 79 Ca 0.65 -0.90 -0.24 0.00 0.05 0.00 0.00 55.36 54.92 1r6o s GLN 79 Cb -0.42 -2.03 -0.08 0.00 1.10 0.00 0.00 33.01 31.58 1r6o s GLN 79 CO 0.35 0.49 1.21 -1.25 -0.55 0.00 0.00 175.29 175.54 1r6o s PRO 80 N -0.44 3.86 0.79 1.67 0.04 -1.26 -0.11 135.00 139.54 1r6o s PRO 80 Ca 0.05 1.90 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 1r6o s PRO 80 Cb -0.11 -2.56 0.06 0.00 0.04 0.00 0.00 34.50 31.93 1r6o s PRO 80 CO 0.01 -0.50 1.10 0.95 0.04 0.00 0.00 177.00 178.59 1r6o s THR 81 N -1.43 3.13 0.28 1.26 -4.23 -0.65 -4.81 115.64 109.19 1r6o s THR 81 Ca 0.60 0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 61.47 1r6o s THR 81 Cb -0.32 -3.12 0.15 0.00 1.34 0.00 0.00 72.50 70.55 1r6o s THR 81 CO 0.40 -0.48 1.82 0.25 -0.54 0.00 0.00 174.62 176.07 1r6o h LEU 82 N -1.06 0.74 -0.80 4.79 5.85 -1.95 -2.07 115.31 120.82 1r6o h LEU 82 Ca -0.47 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.08 1r6o h LEU 82 Cb 1.26 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1r6o h LEU 82 CO 0.59 0.75 0.38 -1.28 -0.34 0.00 0.00 178.44 178.54 1r6o h SER 83 N 0.75 1.05 -0.47 1.25 0.87 -1.97 -0.45 113.55 114.58 1r6o h SER 83 Ca 0.16 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1r6o h SER 83 Cb 0.33 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1r6o h SER 83 CO 0.00 0.89 0.23 0.15 -0.53 0.00 0.00 176.83 177.57 1r6o h PHE 84 N 1.13 0.68 -0.60 2.24 3.04 -1.72 -1.81 116.94 119.91 1r6o h PHE 84 Ca 0.27 -0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.17 1r6o h PHE 84 Cb 0.13 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.40 1r6o h PHE 84 CO 0.01 0.55 0.29 1.96 -2.02 0.00 0.00 178.31 179.10 1r6o h GLN 85 N 0.62 0.86 -0.71 1.11 4.20 -0.91 -2.15 115.11 118.13 1r6o h GLN 85 Ca 0.16 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1r6o h GLN 85 Cb 0.12 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1r6o h GLN 85 CO -0.02 0.68 0.25 0.00 -0.67 0.00 0.00 178.83 179.07 1r6o h ARG 86 N 0.81 1.09 -0.26 1.46 3.08 -0.93 -1.03 114.38 118.60 1r6o h ARG 86 Ca 0.21 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1r6o h ARG 86 Cb 0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1r6o h ARG 86 CO -0.03 0.92 0.17 0.28 -1.07 0.00 0.00 179.97 180.24 1r6o h VAL 87 N 1.03 1.08 -0.32 2.04 2.07 -1.11 0.55 116.25 121.60 1r6o h VAL 87 Ca 0.23 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1r6o h VAL 87 Cb 0.26 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1r6o h VAL 87 CO -0.01 0.07 0.09 -0.07 0.02 0.00 0.00 177.57 177.67 1r6o h LEU 88 N 0.34 0.47 -0.73 2.57 -0.00 -1.21 -1.14 115.31 115.61 1r6o h LEU 88 Ca 0.09 -0.21 0.04 0.00 -0.00 0.00 0.00 57.88 57.80 1r6o h LEU 88 Cb -0.02 -0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 40.46 1r6o h LEU 88 CO -0.02 0.56 0.46 1.56 -0.00 0.00 0.00 178.44 181.00 1r6o h GLN 89 N 0.35 0.85 -0.55 1.13 4.20 -1.04 -0.27 115.11 119.78 1r6o h GLN 89 Ca 0.10 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 1r6o h GLN 89 Cb 0.26 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1r6o h GLN 89 CO -0.00 0.56 0.01 -0.09 -0.67 0.00 0.00 178.83 178.64 1r6o h ARG 90 N 0.88 0.98 -0.54 1.46 2.43 -0.67 0.14 114.38 119.05 1r6o h ARG 90 Ca 0.30 -0.31 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1r6o h ARG 90 Cb 0.06 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1r6o h ARG 90 CO -0.13 0.98 0.05 0.00 -1.51 0.00 0.00 179.97 179.35 1r6o h ALA 91 N 0.96 0.72 -0.34 2.80 0.00 -0.75 -0.98 119.26 121.67 1r6o h ALA 91 Ca 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1r6o h ALA 91 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1r6o h ALA 91 CO 0.03 0.50 0.09 0.28 0.00 0.00 0.00 179.25 180.14 1r6o h VAL 92 N 0.79 1.22 -0.66 0.00 2.07 -0.88 -2.41 116.25 116.39 1r6o h VAL 92 Ca 0.16 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1r6o h VAL 92 Cb 0.47 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1r6o h VAL 92 CO 0.02 0.24 0.31 0.15 0.02 0.00 0.00 177.57 178.32 1r6o h PHE 93 N 0.39 0.95 -0.53 1.57 3.57 -0.57 -0.99 116.94 121.34 1r6o h PHE 93 Ca 0.11 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1r6o h PHE 93 Cb 0.28 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1r6o h PHE 93 CO 0.01 0.72 0.23 1.25 -2.23 0.00 0.00 178.31 178.29 1r6o h HIS 94 N 0.91 0.78 -0.58 0.41 2.76 -1.06 -1.40 115.15 116.98 1r6o h HIS 94 Ca 0.23 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.27 1r6o h HIS 94 Cb 0.13 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 1r6o h HIS 94 CO 0.00 0.63 0.07 0.28 -1.30 0.00 0.00 177.93 177.61 1r6o h VAL 95 N 0.71 1.26 -0.36 5.26 2.07 -1.25 -2.00 116.25 121.93 1r6o h VAL 95 Ca 0.18 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1r6o h VAL 95 Cb 0.16 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1r6o h VAL 95 CO -0.02 0.37 0.17 -0.61 0.02 0.00 0.00 177.57 177.50 1r6o h GLN 96 N 0.86 0.52 0.00 1.57 4.15 -1.04 -2.38 115.11 118.79 1r6o h GLN 96 Ca 0.17 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1r6o h GLN 96 Cb 0.45 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1r6o h GLN 96 CO 0.02 0.47 0.00 0.66 -1.93 0.00 0.00 178.83 178.05 1r6o h SER 97 N 0.44 0.00 -0.26 -0.69 4.64 -1.16 -2.77 113.55 113.75 1r6o h SER 97 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1r6o h SER 97 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1r6o h SER 97 CO -0.01 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.41 1r6o n SER 98 N -2.53 2.08 0.00 4.97 3.41 -0.76 -4.91 113.62 115.88 1r6o n SER 98 Ca 0.03 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 1r6o n SER 98 Cb 0.33 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1r6o n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r6o n GLY 99 N 1.20 0.40 3.96 5.00 0.00 -1.05 -5.02 105.19 109.69 1r6o n GLY 99 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1r6o n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r6o s ARG 100 N -0.45 2.74 -0.00 1.61 1.81 -0.92 -5.04 118.95 118.70 1r6o s ARG 100 Ca 0.00 -0.67 0.03 0.00 -1.72 0.00 0.00 55.73 53.37 1r6o s ARG 100 Cb 0.00 -2.51 -0.04 0.00 -0.45 0.00 0.00 34.95 31.94 1r6o s ARG 100 CO 0.00 -0.54 0.07 0.09 -0.68 0.00 0.00 175.30 174.24 1r6o n ASN 101 N -2.24 3.64 -4.34 0.23 3.02 -1.26 -4.30 115.26 110.01 1r6o n ASN 101 Ca 0.05 -0.10 -0.34 0.00 -0.03 0.00 0.00 54.58 54.16 1r6o n ASN 101 Cb 0.59 1.11 -0.14 0.00 -0.61 0.00 0.00 39.78 40.73 1r6o n ASN 101 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1r6o s GLU 102 N -2.04 3.41 -0.12 3.52 2.12 -1.26 0.17 118.70 124.51 1r6o s GLU 102 Ca -0.01 -0.62 -0.17 0.00 0.36 0.00 0.00 54.97 54.53 1r6o s GLU 102 Cb 0.02 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 1r6o s GLU 102 CO 0.12 -0.07 0.43 0.08 -0.54 0.00 0.00 175.26 175.28 1r6o s VAL 103 N 1.14 5.21 0.44 3.70 1.01 0.35 -4.87 120.40 127.38 1r6o s VAL 103 Ca 0.02 0.86 0.06 0.00 0.00 0.00 0.00 61.98 62.92 1r6o s VAL 103 Cb -0.14 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1r6o s VAL 103 CO -0.01 0.35 0.22 0.42 0.00 0.00 0.00 175.10 176.08 1r6o s THR 104 N 0.51 2.12 0.36 3.92 -4.23 -1.26 -0.80 115.64 116.26 1r6o s THR 104 Ca 0.24 -1.66 0.07 0.00 -1.18 0.00 0.00 61.69 59.15 1r6o s THR 104 Cb -0.15 -2.78 0.17 0.00 1.34 0.00 0.00 72.50 71.07 1r6o s THR 104 CO 0.09 0.00 1.90 1.23 -0.54 0.00 0.00 174.62 177.30 1r6o h GLY 105 N 1.28 0.44 1.09 3.99 0.00 -1.94 -2.16 103.07 105.76 1r6o h GLY 105 Ca -0.42 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 46.58 1r6o h GLY 105 CO 0.67 0.24 0.12 0.00 0.00 0.00 0.00 176.54 177.57 1r6o h ALA 106 N 1.58 0.93 -0.70 3.60 0.00 -1.92 0.15 119.26 122.90 1r6o h ALA 106 Ca 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1r6o h ALA 106 Cb 0.32 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1r6o h ALA 106 CO 0.01 0.67 0.39 -0.91 0.00 0.00 0.00 179.25 179.41 1r6o h ASN 107 N 1.04 0.87 -0.67 0.00 -0.26 -1.80 -1.55 115.58 113.22 1r6o h ASN 107 Ca 0.21 -0.09 -0.05 0.00 -0.56 0.00 0.00 56.30 55.81 1r6o h ASN 107 Cb 0.43 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.44 1r6o h ASN 107 CO 0.01 0.71 0.23 0.58 -1.06 0.00 0.00 177.43 177.91 1r6o h VAL 108 N 0.96 1.25 -0.68 2.81 2.07 -0.90 -2.34 116.25 119.43 1r6o h VAL 108 Ca 0.25 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.99 1r6o h VAL 108 Cb 0.03 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1r6o h VAL 108 CO -0.04 0.32 0.40 0.25 0.02 0.00 0.00 177.57 178.52 1r6o h LEU 109 N 0.96 0.62 -0.72 2.57 5.85 -0.31 -1.37 115.31 122.90 1r6o h LEU 109 Ca 0.22 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1r6o h LEU 109 Cb 0.26 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1r6o h LEU 109 CO -0.01 0.41 0.48 0.58 -0.34 0.00 0.00 178.44 179.56 1r6o h VAL 110 N 0.75 1.17 0.00 1.05 2.07 -1.02 -2.54 116.25 117.73 1r6o h VAL 110 Ca 0.29 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1r6o h VAL 110 Cb 0.12 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1r6o h VAL 110 CO -0.15 0.18 -0.19 0.00 0.02 0.00 0.00 177.57 177.43 1r6o h ALA 111 N 1.27 1.33 -0.71 1.67 0.00 -0.74 -2.90 119.26 119.18 1r6o h ALA 111 Ca 0.27 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1r6o h ALA 111 Cb -0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1r6o h ALA 111 CO -0.07 0.24 0.47 0.82 0.00 0.00 0.00 179.25 180.71 1r6o h ILE 112 N 0.00 1.16 -0.01 0.00 2.04 -0.90 -2.52 117.51 117.29 1r6o h ILE 112 Ca -0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1r6o h ILE 112 Cb 0.44 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1r6o h ILE 112 CO 0.02 0.17 0.11 -0.26 0.00 0.00 0.00 178.15 178.20 1r6o h PHE 113 N 0.94 0.00 0.00 1.37 0.04 -1.61 -0.06 116.94 117.62 1r6o h PHE 113 Ca 0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.04 1r6o h PHE 113 Cb -0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.08 1r6o h PHE 113 CO -0.00 0.00 -0.08 0.43 -0.60 0.00 0.00 178.31 178.06 1r6o n SER 114 N -3.06 0.68 -4.47 2.17 7.64 -0.95 -4.26 113.62 111.37 1r6o n SER 114 Ca -0.03 0.50 -0.44 0.00 1.01 0.00 0.00 58.87 59.91 1r6o n SER 114 Cb 0.18 -0.62 -0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1r6o n SER 114 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1r6o s GLU 115 N -3.09 4.07 0.64 1.43 0.41 -0.04 -4.85 118.70 117.27 1r6o s GLU 115 Ca 0.11 -2.52 0.42 0.00 -0.41 0.00 0.00 54.97 52.57 1r6o s GLU 115 Cb 0.14 -5.10 2.18 0.00 -1.78 0.00 0.00 34.13 29.56 1r6o s GLU 115 CO 0.60 -1.81 2.28 1.96 -0.49 0.00 0.00 175.26 177.81 1r6o h GLN 116 N 7.23 0.00 -0.43 1.61 4.20 -1.82 -2.28 115.11 123.61 1r6o h GLN 116 Ca 0.32 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.01 1r6o h GLN 116 Cb 0.88 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1r6o h GLN 116 CO 1.26 0.00 0.02 0.39 -0.67 0.00 0.00 178.83 179.83 1r6o n GLU 117 N -3.10 3.79 -3.60 1.46 1.02 -1.26 -4.86 120.64 114.09 1r6o n GLU 117 Ca -0.02 -3.01 -0.34 0.00 -0.02 0.00 0.00 57.16 53.77 1r6o n GLU 117 Cb 0.13 -2.05 -0.05 0.00 -0.02 0.00 0.00 31.44 29.44 1r6o n GLU 117 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1r6o s SER 118 N -1.41 6.59 0.34 1.62 1.04 -0.86 -4.98 113.70 116.04 1r6o s SER 118 Ca 0.49 0.73 0.07 0.00 0.48 0.00 0.00 55.95 57.72 1r6o s SER 118 Cb 0.38 -2.15 0.61 0.00 0.10 0.00 0.00 66.02 64.96 1r6o s SER 118 CO 0.12 0.12 1.82 -0.61 0.98 0.00 0.00 173.24 175.67 1r6o h GLN 119 N 3.39 0.30 0.02 4.02 5.75 -1.93 -2.61 115.11 124.05 1r6o h GLN 119 Ca -0.48 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 57.94 1r6o h GLN 119 Cb 1.18 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.68 1r6o h GLN 119 CO 0.68 0.51 -0.12 0.00 -2.65 0.00 0.00 178.83 177.26 1r6o h ALA 120 N 1.50 -0.15 -0.87 3.38 0.00 -1.92 0.13 119.26 121.34 1r6o h ALA 120 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1r6o h ALA 120 Cb 0.54 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1r6o h ALA 120 CO 0.04 -0.61 0.45 0.00 0.00 0.00 0.00 179.25 179.12 1r6o h ALA 121 N 0.74 1.16 -0.15 0.00 0.00 -1.78 -1.01 119.26 118.22 1r6o h ALA 121 Ca 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1r6o h ALA 121 Cb 0.25 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1r6o h ALA 121 CO -0.10 0.66 0.09 -0.92 0.00 0.00 0.00 179.25 178.98 1r6o h TYR 122 N 1.22 0.20 -0.74 0.00 3.20 -1.05 -2.09 116.97 117.71 1r6o h TYR 122 Ca 0.30 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 1r6o h TYR 122 Cb 0.06 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 1r6o h TYR 122 CO 0.01 0.16 0.43 -0.07 -1.64 0.00 0.00 178.16 177.05 1r6o h LEU 123 N 0.18 0.90 -0.31 2.82 4.07 -0.40 -0.05 115.31 122.52 1r6o h LEU 123 Ca 0.06 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1r6o h LEU 123 Cb 0.02 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 1r6o h LEU 123 CO -0.01 0.72 0.21 -0.07 -1.08 0.00 0.00 178.44 178.20 1r6o h LEU 124 N 1.01 0.36 -1.28 1.67 3.38 -1.00 -1.35 115.31 118.09 1r6o h LEU 124 Ca 0.26 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 1r6o h LEU 124 Cb -0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1r6o h LEU 124 CO -0.05 0.26 -0.35 0.03 0.09 0.00 0.00 178.44 178.42 1r6o h ARG 125 N 0.42 0.00 -0.01 1.13 3.08 -1.14 -1.18 114.38 116.68 1r6o h ARG 125 Ca 0.12 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 1r6o h ARG 125 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1r6o h ARG 125 CO -0.03 0.35 -0.42 -0.22 -1.07 0.00 0.00 179.97 178.58 1r6o h LYS 126 N 0.00 0.02 -0.61 0.04 3.64 -0.40 -1.25 116.57 118.01 1r6o h LYS 126 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1r6o h LYS 126 Cb 0.66 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1r6o h LYS 126 CO 0.05 0.44 0.00 0.72 -2.27 0.00 0.00 179.45 178.39 1r6o n HIS 127 N -4.04 0.89 -2.70 1.91 8.25 -0.57 -4.90 115.22 114.06 1r6o n HIS 127 Ca -0.02 -0.35 -0.19 0.00 -0.26 0.00 0.00 57.72 56.91 1r6o n HIS 127 Cb 0.45 -0.18 0.02 0.00 1.12 0.00 0.00 29.99 31.39 1r6o n HIS 127 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1r6o n GLU 128 N 0.52 -3.22 -4.09 -0.41 1.02 -0.47 -4.87 120.64 109.11 1r6o n GLU 128 Ca 0.15 0.82 -0.35 0.00 -0.02 0.00 0.00 57.16 57.77 1r6o n GLU 128 Cb 0.59 -5.40 -0.11 0.00 -0.02 0.00 0.00 31.44 26.50 1r6o n GLU 128 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1r6o s VAL 129 N -3.02 4.33 0.39 2.62 1.01 -0.54 -5.00 120.40 120.19 1r6o s VAL 129 Ca 0.17 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.03 1r6o s VAL 129 Cb -0.07 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1r6o s VAL 129 CO 0.20 0.44 0.25 -0.94 0.00 0.00 0.00 175.10 175.05 1r6o s SER 130 N 0.67 4.76 0.21 3.32 1.04 -1.26 -3.61 113.70 118.84 1r6o s SER 130 Ca 0.01 -0.85 -0.08 0.00 0.48 0.00 0.00 55.95 55.52 1r6o s SER 130 Cb -0.14 -0.61 0.16 0.00 0.10 0.00 0.00 66.02 65.54 1r6o s SER 130 CO 0.02 -0.51 1.77 -0.09 0.98 0.00 0.00 173.24 175.41 1r6o h ARG 131 N 1.31 1.19 -0.62 4.02 2.43 -1.97 -2.71 114.38 118.02 1r6o h ARG 131 Ca -0.43 -0.23 0.04 0.00 -0.81 0.00 0.00 59.98 58.56 1r6o h ARG 131 Cb 1.26 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.57 1r6o h ARG 131 CO 0.63 0.97 0.36 1.25 -1.51 0.00 0.00 179.97 181.67 1r6o h LEU 132 N 1.15 0.56 -0.70 3.80 6.46 -1.99 -1.32 115.31 123.28 1r6o h LEU 132 Ca 0.26 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 58.11 1r6o h LEU 132 Cb 0.24 -0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 40.01 1r6o h LEU 132 CO -0.02 0.38 0.38 0.44 -0.62 0.00 0.00 178.44 179.00 1r6o h ASP 133 N 0.69 0.54 -0.24 1.25 3.32 -1.88 -0.89 116.42 119.21 1r6o h ASP 133 Ca 0.26 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.20 1r6o h ASP 133 Cb 0.10 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1r6o h ASP 133 CO -0.14 0.33 -0.45 0.58 -1.72 0.00 0.00 179.24 177.84 1r6o h VAL 134 N 0.68 1.30 -0.05 -1.35 2.07 -1.31 -2.47 116.25 115.12 1r6o h VAL 134 Ca 0.33 -1.66 -0.09 0.00 0.82 0.00 0.00 66.70 66.10 1r6o h VAL 134 Cb 0.26 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1r6o h VAL 134 CO -0.22 0.53 -0.38 -0.37 0.02 0.00 0.00 177.57 177.15 1r6o h VAL 135 N 0.46 1.28 -0.53 2.57 -1.51 -1.02 -1.55 116.25 115.95 1r6o h VAL 135 Ca 0.01 -1.36 -0.11 0.00 -1.23 0.00 0.00 66.70 64.01 1r6o h VAL 135 Cb 1.06 1.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.87 1r6o h VAL 135 CO 0.10 0.40 -0.09 0.78 -1.23 0.00 0.00 177.57 177.53 1r6o h ASN 136 N 0.09 0.99 -0.42 4.19 2.35 -1.09 -0.90 115.58 120.79 1r6o h ASN 136 Ca 0.01 -0.31 -0.15 0.00 -0.55 0.00 0.00 56.30 55.29 1r6o h ASN 136 Cb 0.71 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1r6o h ASN 136 CO 0.05 1.09 -0.32 0.15 -1.65 0.00 0.00 177.43 176.75 1r6o h PHE 137 N 0.88 1.13 -0.57 1.19 3.57 -1.02 0.21 116.94 122.33 1r6o h PHE 137 Ca 0.14 -0.32 -0.04 0.00 3.53 0.00 0.00 57.97 61.29 1r6o h PHE 137 Cb 0.65 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1r6o h PHE 137 CO 0.04 1.15 0.22 0.82 -2.23 0.00 0.00 178.31 178.31 1r6o h ILE 138 N 0.79 1.23 0.16 1.41 2.04 -1.15 0.47 117.51 122.45 1r6o h ILE 138 Ca 0.08 -0.72 -0.29 0.00 1.00 0.00 0.00 64.86 64.92 1r6o h ILE 138 Cb 0.91 0.63 0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1r6o h ILE 138 CO 0.08 0.28 -1.29 0.28 0.00 0.00 0.00 178.15 177.50 1r6o h SER 139 N 0.79 0.63 0.00 1.72 0.02 -1.05 -3.41 113.55 112.26 1r6o h SER 139 Ca 0.19 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1r6o h SER 139 Cb 0.22 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1r6o h SER 139 CO -0.01 1.49 0.00 1.41 -1.14 0.00 0.00 176.83 178.58 1r6o n HIS 140 N -3.65 0.00 -0.86 3.45 8.25 0.73 -5.08 115.22 118.07 1r6o n HIS 140 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1r6o n HIS 140 Cb 1.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.14 1r6o n HIS 140 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39