#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 4.35 0.81 -0.89 1.43 -1.26 -0.98 118.68 122.14 1r6o s LEU 2 Ca 0.00 2.09 -0.11 0.00 -1.03 0.00 0.00 54.13 55.08 1r6o s LEU 2 Cb 0.00 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.72 1r6o s LEU 2 CO 0.00 -0.56 1.09 0.54 0.23 0.00 0.00 176.35 177.64 1r6o s ASN 3 N 1.23 4.26 0.23 2.29 2.20 -0.54 -4.71 114.94 119.90 1r6o s ASN 3 Ca 0.61 1.60 -0.09 0.00 -0.94 0.00 0.00 52.86 54.03 1r6o s ASN 3 Cb -0.31 -2.32 0.36 0.00 -2.00 0.00 0.00 41.25 36.98 1r6o s ASN 3 CO 0.28 -2.15 1.66 -0.61 -2.94 0.00 0.00 177.10 173.34 1r6o h GLN 4 N -1.21 0.13 -0.16 3.55 5.75 -1.94 0.47 115.11 121.70 1r6o h GLN 4 Ca -0.46 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 57.95 1r6o h GLN 4 Cb 1.25 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.76 1r6o h GLN 4 CO 0.54 0.08 -0.27 0.93 -2.65 0.00 0.00 178.83 177.47 1r6o h GLU 5 N 0.13 0.30 -0.15 1.69 5.08 -1.96 -0.86 114.58 118.82 1r6o h GLU 5 Ca 0.36 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1r6o h GLU 5 Cb 0.61 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1r6o h GLU 5 CO -0.57 0.55 -0.27 1.25 -1.00 0.00 0.00 179.01 178.97 1r6o h LEU 6 N 0.27 0.49 -1.13 1.33 5.85 -1.50 -2.02 115.31 118.60 1r6o h LEU 6 Ca 0.04 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 1r6o h LEU 6 Cb 0.62 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1r6o h LEU 6 CO 0.04 0.95 0.45 -0.33 -0.34 0.00 0.00 178.44 179.21 1r6o h GLU 7 N 0.05 1.04 -0.42 1.25 5.08 -0.76 -0.21 114.58 120.62 1r6o h GLU 7 Ca 0.01 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1r6o h GLU 7 Cb 0.86 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1r6o h GLU 7 CO 0.06 0.74 0.19 1.25 -1.00 0.00 0.00 179.01 180.25 1r6o h LEU 8 N 1.06 0.56 -0.63 1.33 5.85 -1.10 -1.13 115.31 121.26 1r6o h LEU 8 Ca 0.27 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1r6o h LEU 8 Cb -0.02 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1r6o h LEU 8 CO -0.05 0.55 0.41 0.28 -0.34 0.00 0.00 178.44 179.29 1r6o h SER 9 N 0.54 0.72 -0.23 1.25 0.02 -0.54 -1.68 113.55 113.63 1r6o h SER 9 Ca 0.14 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1r6o h SER 9 Cb 0.15 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1r6o h SER 9 CO -0.02 0.53 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.09 1r6o h LEU 10 N 0.85 0.45 -0.96 5.07 3.38 -0.91 -1.66 115.31 121.53 1r6o h LEU 10 Ca 0.23 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1r6o h LEU 10 Cb -0.09 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1r6o h LEU 10 CO -0.05 0.70 -0.13 0.78 0.09 0.00 0.00 178.44 179.84 1r6o h ASN 11 N 0.18 0.60 0.41 -0.43 2.35 -1.12 -1.36 115.58 116.21 1r6o h ASN 11 Ca 0.06 -0.17 -0.19 0.00 -0.55 0.00 0.00 56.30 55.45 1r6o h ASN 11 Cb 0.50 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1r6o h ASN 11 CO 0.02 0.76 -0.79 0.24 -1.65 0.00 0.00 177.43 176.01 1r6o h MET 12 N 0.56 0.29 -0.29 0.81 2.86 -1.28 -1.98 114.93 115.90 1r6o h MET 12 Ca 0.10 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1r6o h MET 12 Cb 0.55 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1r6o h MET 12 CO 0.03 0.94 0.10 0.00 1.06 0.00 0.00 176.91 179.04 1r6o h ALA 13 N 0.98 0.38 -0.77 6.32 0.00 -1.12 -1.04 119.26 124.01 1r6o h ALA 13 Ca -0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1r6o h ALA 13 Cb 1.38 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1r6o h ALA 13 CO 0.13 0.00 0.30 0.35 0.00 0.00 0.00 179.25 180.03 1r6o h PHE 14 N 0.31 1.18 -0.50 0.00 3.57 -1.25 -1.85 116.94 118.40 1r6o h PHE 14 Ca 0.09 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1r6o h PHE 14 Cb 0.23 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1r6o h PHE 14 CO 0.00 0.90 -0.08 0.00 -2.23 0.00 0.00 178.31 176.90 1r6o h ALA 15 N 1.19 0.68 -0.62 2.41 0.00 -1.18 -1.18 119.26 120.56 1r6o h ALA 15 Ca 0.26 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1r6o h ALA 15 Cb 0.23 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1r6o h ALA 15 CO -0.02 0.57 0.35 0.00 0.00 0.00 0.00 179.25 180.15 1r6o h ARG 16 N 0.79 0.86 -0.65 0.00 3.08 -1.01 -0.49 114.38 116.97 1r6o h ARG 16 Ca 0.13 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 1r6o h ARG 16 Cb 0.63 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1r6o h ARG 16 CO 0.04 0.64 0.19 0.00 -1.07 0.00 0.00 179.97 179.77 1r6o h ALA 17 N 1.17 0.85 -0.59 0.04 0.00 -1.21 -2.14 119.26 117.39 1r6o h ALA 17 Ca 0.22 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1r6o h ALA 17 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1r6o h ALA 17 CO -0.04 0.54 0.02 0.00 0.00 0.00 0.00 179.25 179.77 1r6o h ARG 18 N 0.95 1.00 0.00 0.00 3.08 -0.89 -1.08 114.38 117.44 1r6o h ARG 18 Ca 0.21 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1r6o h ARG 18 Cb 0.32 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1r6o h ARG 18 CO -0.00 0.97 -0.32 0.93 -1.07 0.00 0.00 179.97 180.48 1r6o h GLU 19 N 0.93 0.00 -0.07 0.04 5.08 -0.85 -1.92 114.58 117.79 1r6o h GLU 19 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1r6o h GLU 19 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1r6o h GLU 19 CO 0.02 0.32 0.00 0.72 -1.00 0.00 0.00 179.01 179.08 1r6o n HIS 20 N -3.96 0.08 -2.51 4.33 8.25 -0.83 -4.94 115.22 115.64 1r6o n HIS 20 Ca -0.02 -0.04 -0.19 0.00 -0.26 0.00 0.00 57.72 57.22 1r6o n HIS 20 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 0.30 -2.27 -2.27 -0.41 5.12 -0.72 -4.89 116.66 111.52 1r6o n ARG 21 Ca 0.18 0.87 -0.40 0.00 -1.93 0.00 0.00 57.85 56.57 1r6o n ARG 21 Cb 0.36 -5.43 -0.03 0.00 -1.16 0.00 0.00 32.46 26.20 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 -2.97 3.22 0.28 -1.55 3.76 -0.47 -0.48 115.29 117.07 1r6o s HIS 22 Ca 0.07 1.54 0.13 0.00 -0.15 0.00 0.00 55.06 56.65 1r6o s HIS 22 Cb -0.03 -3.49 0.53 0.00 1.11 0.00 0.00 32.58 30.70 1r6o s HIS 22 CO 0.09 -1.33 1.70 1.49 -0.85 0.00 0.00 174.74 175.84 1r6o h GLU 23 N 3.34 0.00 -4.62 1.40 4.81 -1.26 -3.37 114.58 114.87 1r6o h GLU 23 Ca -0.48 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.44 1r6o h GLU 23 Cb 1.22 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.38 1r6o h GLU 23 CO 0.65 0.50 -0.75 -0.06 -0.73 0.00 0.00 179.01 178.63 1r6o s PHE 24 N -3.76 0.71 -0.31 0.92 0.08 -1.26 -1.68 117.98 112.68 1r6o s PHE 24 Ca -0.01 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 1r6o s PHE 24 Cb 0.13 -0.42 -0.03 0.00 -0.57 0.00 0.00 43.02 42.13 1r6o s PHE 24 CO 0.74 -0.05 0.19 1.41 -0.10 0.00 0.00 175.22 177.41 1r6o s MET 25 N -1.28 3.62 0.54 0.44 -2.45 0.82 -4.86 119.30 116.13 1r6o s MET 25 Ca -0.06 -0.54 0.08 0.00 -1.25 0.00 0.00 55.69 53.91 1r6o s MET 25 Cb -0.08 -3.67 0.05 0.00 1.25 0.00 0.00 34.83 32.38 1r6o s MET 25 CO 0.00 -0.33 0.58 0.95 1.05 0.00 0.00 175.02 177.27 1r6o s THR 26 N 1.70 2.06 0.26 10.11 -4.23 -1.26 -1.69 115.64 122.58 1r6o s THR 26 Ca 0.06 -1.23 0.31 0.00 -1.18 0.00 0.00 61.69 59.64 1r6o s THR 26 Cb -0.17 -2.29 0.33 0.00 1.34 0.00 0.00 72.50 71.71 1r6o s THR 26 CO 0.09 0.00 2.01 0.58 -0.54 0.00 0.00 174.62 176.76 1r6o h VAL 27 N 0.53 0.30 0.01 2.29 2.07 -1.95 -1.78 116.25 117.72 1r6o h VAL 27 Ca -0.34 -0.62 -0.24 0.00 0.82 0.00 0.00 66.70 66.31 1r6o h VAL 27 Cb 1.29 1.48 0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1r6o h VAL 27 CO 0.49 0.09 -0.99 -0.33 0.02 0.00 0.00 177.57 176.85 1r6o h GLU 28 N 0.00 0.50 -0.85 1.57 3.07 -1.98 -0.22 114.58 116.66 1r6o h GLU 28 Ca -0.00 -0.54 -0.02 0.00 -0.50 0.00 0.00 59.36 58.30 1r6o h GLU 28 Cb 0.47 0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.50 1r6o h GLU 28 CO 0.01 1.18 0.46 0.45 -1.40 0.00 0.00 179.01 179.71 1r6o h HIS 29 N 0.27 1.18 0.10 4.33 3.86 -1.80 -0.55 115.15 122.54 1r6o h HIS 29 Ca -0.10 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1r6o h HIS 29 Cb 1.63 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1r6o h HIS 29 CO 0.07 0.82 -0.05 1.25 0.86 0.00 0.00 177.93 180.88 1r6o h LEU 30 N 1.20 -0.11 -0.86 2.43 5.85 -1.18 -1.27 115.31 121.36 1r6o h LEU 30 Ca 0.30 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1r6o h LEU 30 Cb 0.04 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1r6o h LEU 30 CO -0.05 0.07 0.40 0.25 -0.34 0.00 0.00 178.44 178.77 1r6o h LEU 31 N -0.29 1.12 -0.70 2.25 5.85 -0.84 -0.82 115.31 121.88 1r6o h LEU 31 Ca -0.01 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1r6o h LEU 31 Cb 0.24 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1r6o h LEU 31 CO 0.02 0.94 0.47 0.25 -0.34 0.00 0.00 178.44 179.78 1r6o h LEU 32 N 1.21 0.81 -0.81 2.25 5.85 -1.00 -2.20 115.31 121.42 1r6o h LEU 32 Ca 0.29 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 1r6o h LEU 32 Cb 0.12 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1r6o h LEU 32 CO -0.04 0.59 -0.04 0.00 -0.34 0.00 0.00 178.44 178.61 1r6o h ALA 33 N 1.26 1.00 0.00 1.25 0.00 -0.71 -2.87 119.26 119.19 1r6o h ALA 33 Ca 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1r6o h ALA 33 Cb -0.11 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1r6o h ALA 33 CO -0.06 0.61 0.00 -0.07 0.00 0.00 0.00 179.25 179.73 1r6o h LEU 34 N 0.78 0.00 -1.75 0.00 3.38 -0.54 -2.64 115.31 114.54 1r6o h LEU 34 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1r6o h LEU 34 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1r6o h LEU 34 CO 0.03 0.00 -0.17 -0.07 0.09 0.00 0.00 178.44 178.32 1r6o h LEU 35 N 0.00 0.00 -2.88 1.67 3.38 -1.25 -2.18 115.31 114.04 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 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1r6o h LEU 35 CO 0.00 0.17 0.00 -1.54 0.09 0.00 0.00 178.44 177.16 1r6o n SER 36 N -3.94 2.99 -4.60 -0.43 3.41 -1.00 -4.56 113.62 105.49 1r6o n SER 36 Ca -0.02 -2.01 -0.41 0.00 -0.26 0.00 0.00 58.87 56.16 1r6o n SER 36 Cb 0.25 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 6.52 0.20 4.04 3.84 -0.82 -4.98 114.94 122.72 1r6o s ASN 37 Ca 0.25 0.43 -0.17 0.00 0.21 0.00 0.00 52.86 53.58 1r6o s ASN 37 Cb 0.13 -2.34 0.17 0.00 -0.55 0.00 0.00 41.25 38.66 1r6o s ASN 37 CO 0.17 -0.52 1.61 -0.65 -2.79 0.00 0.00 177.10 174.91 1r6o h PRO 38 N 8.21 -0.10 -0.32 0.43 0.11 -1.90 0.22 132.00 138.65 1r6o h PRO 38 Ca -0.26 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.92 1r6o h PRO 38 Cb 1.11 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 1r6o h PRO 38 CO 0.82 -0.06 -0.08 1.03 -0.21 0.00 0.00 178.00 179.50 1r6o h SER 39 N -0.10 -0.29 0.18 -2.05 0.87 -1.93 0.03 113.55 110.27 1r6o h SER 39 Ca 0.26 0.09 -0.24 0.00 -1.23 0.00 0.00 61.79 60.67 1r6o h SER 39 Cb 0.51 0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1r6o h SER 39 CO -0.65 -0.10 -0.97 0.00 -0.53 0.00 0.00 176.83 174.58 1r6o h ALA 40 N 1.32 0.28 -0.58 6.23 0.00 -1.60 -3.08 119.26 121.83 1r6o h ALA 40 Ca 0.15 -0.70 0.02 0.00 0.00 0.00 0.00 54.91 54.38 1r6o h ALA 40 Cb 0.23 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1r6o h ALA 40 CO -0.33 0.76 0.36 -0.09 0.00 0.00 0.00 179.25 179.96 1r6o h ARG 41 N 0.31 0.71 -0.78 0.00 2.43 -0.33 -1.67 114.38 115.06 1r6o h ARG 41 Ca -0.10 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1r6o h ARG 41 Cb 1.61 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.96 1r6o h ARG 41 CO 0.18 0.47 0.51 0.93 -1.51 0.00 0.00 179.97 180.55 1r6o h GLU 42 N 0.73 1.03 -0.72 0.20 4.39 -1.03 -0.44 114.58 118.74 1r6o h GLU 42 Ca 0.22 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1r6o h GLU 42 Cb -0.02 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.36 1r6o h GLU 42 CO -0.08 0.69 0.40 0.00 -1.16 0.00 0.00 179.01 178.86 1r6o h ALA 43 N 1.28 0.93 -0.08 3.43 0.00 -1.35 -1.86 119.26 121.61 1r6o h ALA 43 Ca 0.28 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1r6o h ALA 43 Cb -0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1r6o h ALA 43 CO -0.06 0.44 -0.59 -0.07 0.00 0.00 0.00 179.25 178.96 1r6o h LEU 44 N 1.00 0.32 -0.83 0.00 3.38 -0.75 -2.73 115.31 115.70 1r6o h LEU 44 Ca 0.25 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1r6o h LEU 44 Cb 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1r6o h LEU 44 CO -0.04 0.84 -0.37 -0.33 0.09 0.00 0.00 178.44 178.63 1r6o h GLU 45 N 0.21 0.43 0.00 1.13 5.08 -0.83 -2.15 114.58 118.46 1r6o h GLU 45 Ca -0.00 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1r6o h GLU 45 Cb 1.10 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1r6o h GLU 45 CO 0.09 0.74 -0.12 0.00 -1.00 0.00 0.00 179.01 178.73 1r6o h ALA 46 N 1.24 1.05 -0.52 3.43 0.00 -1.16 -1.81 119.26 121.49 1r6o h ALA 46 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1r6o h ALA 46 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1r6o h ALA 46 CO 0.07 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1r6o n SER 48 N 0.94 -4.29 -4.73 0.00 7.64 -0.68 -4.92 113.62 107.58 1r6o n SER 48 Ca 0.19 -0.73 -0.39 0.00 1.01 0.00 0.00 58.87 58.95 1r6o n SER 48 Cb 0.60 -4.24 -0.05 0.00 -1.01 0.00 0.00 64.21 59.52 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 -3.38 5.00 -0.77 0.44 1.01 -0.86 -4.99 120.40 116.84 1r6o s VAL 49 Ca 0.48 1.37 -0.26 0.00 0.00 0.00 0.00 61.98 63.58 1r6o s VAL 49 Cb -0.23 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1r6o s VAL 49 CO 0.80 0.31 1.69 -0.62 0.00 0.00 0.00 175.10 177.28 1r6o s ASP 50 N 0.48 5.61 0.47 3.32 -1.08 -1.26 -4.80 116.67 119.42 1r6o s ASP 50 Ca 0.35 -0.35 0.26 0.00 -0.52 0.00 0.00 52.55 52.29 1r6o s ASP 50 Cb -0.18 -2.55 1.08 0.00 -1.46 0.00 0.00 42.92 39.81 1r6o s ASP 50 CO 0.18 -2.22 1.89 -0.07 0.52 0.00 0.00 175.17 175.46 1r6o h LEU 51 N 15.51 0.00 -0.14 -1.34 3.38 -1.95 -2.02 115.31 128.74 1r6o h LEU 51 Ca -0.11 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 1r6o h LEU 51 Cb 1.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.83 1r6o h LEU 51 CO 1.26 0.17 -0.53 0.58 0.09 0.00 0.00 178.44 180.01 1r6o h VAL 52 N 0.00 1.34 -0.44 1.22 2.07 -1.99 -2.19 116.25 116.26 1r6o h VAL 52 Ca -0.00 -1.80 -0.14 0.00 0.82 0.00 0.00 66.70 65.57 1r6o h VAL 52 Cb 0.65 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1r6o h VAL 52 CO 0.02 0.55 -0.28 0.00 0.02 0.00 0.00 177.57 177.89 1r6o h ALA 53 N 0.52 0.62 -0.44 1.67 0.00 -1.93 -2.27 119.26 117.42 1r6o h ALA 53 Ca -0.03 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1r6o h ALA 53 Cb 1.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1r6o h ALA 53 CO 0.11 0.65 -0.12 1.25 0.00 0.00 0.00 179.25 181.15 1r6o h LEU 54 N 0.79 0.80 -0.30 0.00 5.85 -1.43 -1.00 115.31 120.03 1r6o h LEU 54 Ca 0.09 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1r6o h LEU 54 Cb 0.86 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1r6o h LEU 54 CO 0.08 0.94 0.16 -0.09 -0.34 0.00 0.00 178.44 179.19 1r6o h ARG 55 N 0.73 0.42 -0.71 1.25 2.43 -1.30 -1.57 114.38 115.63 1r6o h ARG 55 Ca 0.12 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 1r6o h ARG 55 Cb 0.61 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1r6o h ARG 55 CO 0.04 0.37 0.18 1.96 -1.51 0.00 0.00 179.97 181.00 1r6o h GLN 56 N 0.36 1.14 -0.65 0.20 4.20 -1.16 -0.64 115.11 118.55 1r6o h GLN 56 Ca 0.11 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.46 1r6o h GLN 56 Cb 0.07 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1r6o h GLN 56 CO -0.02 1.00 0.09 0.93 -0.67 0.00 0.00 178.83 180.16 1r6o h GLU 57 N 1.07 1.09 -0.18 1.46 5.08 -1.03 -1.00 114.58 121.07 1r6o h GLU 57 Ca 0.22 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1r6o h GLU 57 Cb 0.37 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1r6o h GLU 57 CO 0.00 1.01 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.78 1r6o h LEU 58 N 1.02 0.46 -1.05 1.33 3.38 -1.07 -1.77 115.31 117.61 1r6o h LEU 58 Ca 0.20 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1r6o h LEU 58 Cb 0.46 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1r6o h LEU 58 CO 0.02 0.84 0.27 -0.33 0.09 0.00 0.00 178.44 179.33 1r6o h GLU 59 N 0.09 0.95 -0.27 1.13 5.08 -1.02 -0.06 114.58 120.49 1r6o h GLU 59 Ca 0.03 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 1r6o h GLU 59 Cb 0.71 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1r6o h GLU 59 CO 0.04 0.77 -0.32 0.00 -1.00 0.00 0.00 179.01 178.50 1r6o h ALA 60 N 1.36 0.40 -0.58 3.43 0.00 -1.15 -2.84 119.26 119.89 1r6o h ALA 60 Ca 0.22 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1r6o h ALA 60 Cb 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1r6o h ALA 60 CO -0.02 0.44 -0.06 0.35 0.00 0.00 0.00 179.25 179.96 1r6o h PHE 61 N 0.43 1.18 0.00 0.00 3.57 -1.04 -2.58 116.94 118.50 1r6o h PHE 61 Ca 0.04 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.31 1r6o h PHE 61 Cb 0.90 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1r6o h PHE 61 CO 0.08 1.06 -0.00 0.82 -2.23 0.00 0.00 178.31 178.03 1r6o h ILE 62 N 0.96 1.09 0.00 1.41 2.04 -1.01 -1.35 117.51 120.65 1r6o h ILE 62 Ca 0.16 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1r6o h ILE 62 Cb 0.63 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1r6o h ILE 62 CO 0.04 0.07 -0.33 -0.33 0.00 0.00 0.00 178.15 177.60 1r6o h GLU 63 N -0.12 0.00 0.00 2.37 4.39 -1.53 -1.53 114.58 118.16 1r6o h GLU 63 Ca -0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 1r6o h GLU 63 Cb 0.12 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1r6o h GLU 63 CO 0.00 0.33 -1.28 1.96 -1.16 0.00 0.00 179.01 178.87 1r6o h GLN 64 N 0.00 0.00 -0.00 2.33 4.20 -1.37 -3.40 115.11 116.87 1r6o h GLN 64 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1r6o h GLN 64 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1r6o h GLN 64 CO 0.04 0.55 -0.27 0.25 -0.67 0.00 0.00 178.83 178.73 1r6o n THR 65 N -3.10 0.00 -3.13 -0.54 -2.24 -0.52 -4.96 114.28 99.80 1r6o n THR 65 Ca -0.08 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 60.92 1r6o n THR 65 Cb 0.92 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 70.09 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 -1.51 4.94 0.46 4.28 2.01 -0.58 -5.03 115.64 120.22 1r6o s THR 66 Ca 0.03 0.77 -0.25 0.00 0.31 0.00 0.00 61.69 62.56 1r6o s THR 66 Cb 0.05 -4.00 -0.08 0.00 0.01 0.00 0.00 72.50 68.48 1r6o s THR 66 CO 0.24 -0.17 1.39 -2.84 -0.69 0.00 0.00 174.62 172.55 1r6o s PRO 67 N 2.60 3.62 -0.14 4.92 0.02 -1.26 -4.86 135.00 139.90 1r6o s PRO 67 Ca 0.24 2.33 -0.05 0.00 0.02 0.00 0.00 61.00 63.54 1r6o s PRO 67 Cb -0.15 -2.58 -0.04 0.00 0.02 0.00 0.00 34.50 31.75 1r6o s PRO 67 CO 0.12 -0.84 0.03 0.08 -0.33 0.00 0.00 177.00 176.07 1r6o s VAL 68 N -1.24 4.56 0.35 3.83 1.01 -1.26 -0.75 120.40 126.89 1r6o s VAL 68 Ca 0.63 -0.13 -0.28 0.00 0.00 0.00 0.00 61.98 62.19 1r6o s VAL 68 Cb -0.42 -2.99 -0.10 0.00 0.00 0.00 0.00 36.38 32.87 1r6o s VAL 68 CO 0.53 0.54 1.35 -0.76 0.00 0.00 0.00 175.10 176.76 1r6o s LEU 69 N -0.26 4.39 0.58 3.92 1.43 0.37 -4.83 118.68 124.28 1r6o s LEU 69 Ca 0.07 2.77 -0.20 0.00 -1.03 0.00 0.00 54.13 55.75 1r6o s LEU 69 Cb -0.12 -3.67 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 1r6o s LEU 69 CO 0.02 -0.63 1.05 -2.65 0.23 0.00 0.00 176.35 174.37 1r6o n PRO 70 N 0.68 1.08 0.00 1.29 -0.02 -1.26 -4.87 135.00 131.90 1r6o n PRO 70 Ca 0.00 0.41 0.05 0.00 -2.02 0.00 0.00 63.50 61.95 1r6o n PRO 70 Cb 0.41 -2.24 0.24 0.00 -0.02 0.00 0.00 33.50 31.89 1r6o n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r6o n ALA 71 N -1.51 1.51 -3.26 3.55 0.00 -1.26 -3.66 120.51 115.89 1r6o n ALA 71 Ca 0.13 -0.04 -0.27 0.00 0.00 0.00 0.00 53.44 53.26 1r6o n ALA 71 Cb 0.46 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.66 1r6o n ALA 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1r6o n SER 72 N -1.50 3.82 -3.37 0.00 2.88 -1.26 -4.99 113.62 109.20 1r6o n SER 72 Ca 0.03 -3.49 0.02 0.00 -1.33 0.00 0.00 58.87 54.10 1r6o n SER 72 Cb 0.13 -0.63 -0.03 0.00 -0.75 0.00 0.00 64.21 62.93 1r6o n SER 72 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1r6o s GLU 73 N -2.75 0.40 -0.10 -1.46 2.12 -1.24 -5.04 118.70 110.64 1r6o s GLU 73 Ca 0.43 0.90 0.15 0.00 0.36 0.00 0.00 54.97 56.80 1r6o s GLU 73 Cb 0.19 0.53 0.23 0.00 0.26 0.00 0.00 34.13 35.34 1r6o s GLU 73 CO -0.05 -0.25 1.11 -1.91 -0.54 0.00 0.00 175.26 173.62 1r6o n GLU 74 N 5.27 1.04 0.02 4.30 2.13 -1.26 -4.67 120.64 127.48 1r6o n GLU 74 Ca -0.08 -2.23 -0.02 0.00 0.66 0.00 0.00 57.16 55.49 1r6o n GLU 74 Cb 0.52 -1.29 -0.09 0.00 0.27 0.00 0.00 31.44 30.85 1r6o n GLU 74 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1r6o h GLU 75 N 0.00 0.00 -3.89 5.31 4.81 -2.02 -3.46 114.58 115.34 1r6o h GLU 75 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 1r6o h GLU 75 Cb 1.07 0.00 -0.32 0.00 0.63 0.00 0.00 28.75 30.13 1r6o h GLU 75 CO 0.00 0.33 -0.75 0.50 -0.73 0.00 0.00 179.01 178.36 1r6o s ARG 76 N -2.86 0.36 0.14 1.92 3.52 -1.26 -5.16 118.95 115.61 1r6o s ARG 76 Ca -0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 1r6o s ARG 76 Cb 0.09 -0.45 0.00 0.00 -1.56 0.00 0.00 34.95 33.03 1r6o s ARG 76 CO 0.81 -0.06 0.02 -3.47 -0.81 0.00 0.00 175.30 171.80 1r6o n ASP 77 N 3.74 2.23 -4.66 -2.12 -0.08 -1.26 -5.03 116.55 109.36 1r6o n ASP 77 Ca -0.22 -1.59 -0.49 0.00 -1.51 0.00 0.00 54.79 50.97 1r6o n ASP 77 Cb 0.53 0.08 -0.05 0.00 2.34 0.00 0.00 41.12 44.02 1r6o n ASP 77 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1r6o n THR 78 N -0.43 0.20 -4.37 5.18 -1.04 -1.26 -4.93 114.28 107.63 1r6o n THR 78 Ca -0.05 -0.04 -0.25 0.00 -2.04 0.00 0.00 64.05 61.67 1r6o n THR 78 Cb 0.17 -1.43 -0.13 0.00 -1.82 0.00 0.00 70.33 67.12 1r6o n THR 78 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1r6o s GLN 79 N 2.03 1.22 0.43 -2.82 -0.21 -0.68 -4.90 119.66 114.74 1r6o s GLN 79 Ca 0.86 -1.16 -0.23 0.00 0.02 0.00 0.00 55.36 54.86 1r6o s GLN 79 Cb -0.79 -1.50 -0.08 0.00 1.00 0.00 0.00 33.01 31.63 1r6o s GLN 79 CO 0.47 0.36 1.08 -2.14 -2.12 0.00 0.00 175.29 172.94 1r6o s PRO 80 N -1.81 3.97 0.74 2.91 0.02 -1.26 -0.13 135.00 139.44 1r6o s PRO 80 Ca 0.08 1.55 -0.11 0.00 0.02 0.00 0.00 61.00 62.53 1r6o s PRO 80 Cb -0.10 -2.41 0.03 0.00 0.02 0.00 0.00 34.50 32.05 1r6o s PRO 80 CO 0.04 -0.32 1.09 0.95 -0.33 0.00 0.00 177.00 178.43 1r6o s THR 81 N -1.70 3.48 0.26 0.99 -4.23 -0.68 -4.81 115.64 108.95 1r6o s THR 81 Ca 0.61 0.48 -0.05 0.00 -1.18 0.00 0.00 61.69 61.55 1r6o s THR 81 Cb -0.22 -3.32 0.25 0.00 1.34 0.00 0.00 72.50 70.54 1r6o s THR 81 CO 0.28 -0.63 1.92 -0.07 -0.54 0.00 0.00 174.62 175.58 1r6o h LEU 82 N -0.84 1.11 -0.83 4.79 4.07 -1.96 -1.53 115.31 120.14 1r6o h LEU 82 Ca -0.46 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.45 1r6o h LEU 82 Cb 1.25 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 42.67 1r6o h LEU 82 CO 0.60 0.82 0.47 -1.28 -1.08 0.00 0.00 178.44 177.98 1r6o h SER 83 N 1.30 1.02 -0.55 -0.43 0.87 -1.96 -0.02 113.55 113.78 1r6o h SER 83 Ca 0.35 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1r6o h SER 83 Cb -0.12 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.56 1r6o h SER 83 CO -0.07 0.81 0.25 0.15 -0.53 0.00 0.00 176.83 177.44 1r6o h PHE 84 N 1.15 0.81 -0.62 2.24 3.04 -1.68 -2.21 116.94 119.67 1r6o h PHE 84 Ca 0.29 -0.05 -0.02 0.00 3.98 0.00 0.00 57.97 62.18 1r6o h PHE 84 Cb 0.00 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 38.24 1r6o h PHE 84 CO 0.00 0.64 0.32 1.96 -2.02 0.00 0.00 178.31 179.21 1r6o h GLN 85 N 0.74 0.87 -0.95 1.11 4.20 -0.50 -2.72 115.11 117.87 1r6o h GLN 85 Ca 0.19 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1r6o h GLN 85 Cb 0.15 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 1r6o h GLN 85 CO -0.02 0.68 0.59 0.00 -0.67 0.00 0.00 178.83 179.41 1r6o h ARG 86 N 0.84 1.28 -0.31 1.46 3.08 -0.82 -1.80 114.38 118.10 1r6o h ARG 86 Ca 0.21 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1r6o h ARG 86 Cb 0.07 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1r6o h ARG 86 CO -0.03 0.88 0.19 0.28 -1.07 0.00 0.00 179.97 180.22 1r6o h VAL 87 N 1.30 1.10 -0.54 2.04 2.07 -1.10 0.76 116.25 121.89 1r6o h VAL 87 Ca 0.34 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 1r6o h VAL 87 Cb -0.09 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1r6o h VAL 87 CO -0.07 0.10 0.15 -0.07 0.02 0.00 0.00 177.57 177.70 1r6o h LEU 88 N 0.41 0.80 -0.90 2.57 3.38 -1.31 -0.66 115.31 119.59 1r6o h LEU 88 Ca 0.11 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1r6o h LEU 88 Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1r6o h LEU 88 CO -0.02 0.81 0.01 1.56 0.09 0.00 0.00 178.44 180.89 1r6o h GLN 89 N 0.75 0.82 -0.36 1.13 4.20 -1.17 -2.33 115.11 118.15 1r6o h GLN 89 Ca 0.17 -0.22 -0.16 0.00 0.06 0.00 0.00 58.65 58.50 1r6o h GLN 89 Cb 0.31 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1r6o h GLN 89 CO -0.00 0.82 -0.40 -0.09 -0.67 0.00 0.00 178.83 178.49 1r6o h ARG 90 N 0.77 0.88 -0.62 1.46 2.43 -0.53 -0.77 114.38 117.99 1r6o h ARG 90 Ca 0.15 -0.47 -0.03 0.00 -0.81 0.00 0.00 59.98 58.82 1r6o h ARG 90 Cb 0.44 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1r6o h ARG 90 CO 0.02 1.11 0.26 0.00 -1.51 0.00 0.00 179.97 179.85 1r6o h ALA 91 N 0.82 0.81 -0.48 2.80 0.00 -0.98 1.00 119.26 123.24 1r6o h ALA 91 Ca 0.06 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1r6o h ALA 91 Cb 0.98 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1r6o h ALA 91 CO 0.09 0.41 0.06 0.28 0.00 0.00 0.00 179.25 180.10 1r6o h VAL 92 N 0.87 1.25 -0.34 0.00 2.07 -1.31 -2.37 116.25 116.42 1r6o h VAL 92 Ca 0.21 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1r6o h VAL 92 Cb 0.19 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1r6o h VAL 92 CO -0.02 0.33 0.18 0.15 0.02 0.00 0.00 177.57 178.24 1r6o h PHE 93 N 0.67 0.48 -0.52 1.57 3.57 -0.77 0.18 116.94 122.12 1r6o h PHE 93 Ca 0.14 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1r6o h PHE 93 Cb 0.41 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1r6o h PHE 93 CO 0.03 0.39 0.31 1.25 -2.23 0.00 0.00 178.31 178.06 1r6o h HIS 94 N 0.43 0.69 -0.50 0.41 2.76 -0.74 0.18 115.15 118.38 1r6o h HIS 94 Ca 0.12 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.21 1r6o h HIS 94 Cb 0.08 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 1r6o h HIS 94 CO -0.02 0.49 0.04 0.28 -1.30 0.00 0.00 177.93 177.41 1r6o h VAL 95 N 0.70 1.26 -0.00 5.26 2.07 -1.17 -2.96 116.25 121.40 1r6o h VAL 95 Ca 0.19 -1.02 -0.11 0.00 0.82 0.00 0.00 66.70 66.58 1r6o h VAL 95 Cb 0.00 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1r6o h VAL 95 CO -0.03 0.36 -0.53 1.56 0.02 0.00 0.00 177.57 178.95 1r6o h GLN 96 N 0.72 0.01 0.00 1.57 4.20 -0.60 -2.36 115.11 118.65 1r6o h GLN 96 Ca 0.15 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1r6o h GLN 96 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1r6o h GLN 96 CO 0.02 0.53 0.00 0.66 -0.67 0.00 0.00 178.83 179.37 1r6o h SER 97 N 0.01 0.00 -0.07 1.46 4.64 -0.53 -0.86 113.55 118.18 1r6o h SER 97 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r6o h SER 97 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1r6o h SER 97 CO 0.07 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.49 1r6o n SER 98 N -2.46 2.12 0.00 4.97 3.41 -0.94 -4.94 113.62 115.77 1r6o n SER 98 Ca 0.03 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 1r6o n SER 98 Cb 0.30 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 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 1.25 0.58 3.71 5.00 0.00 -0.33 -5.06 105.19 110.35 1r6o n GLY 99 Ca 0.17 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1r6o n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r6o n ARG 100 N -2.74 0.72 0.00 1.61 1.74 -0.93 -5.01 116.66 112.05 1r6o n ARG 100 Ca 0.00 -3.55 0.00 0.00 -0.77 0.00 0.00 57.85 53.53 1r6o n ARG 100 Cb 0.00 0.66 0.00 0.00 -1.02 0.00 0.00 32.46 32.10 1r6o n ARG 100 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1r6o n ASN 101 N -1.58 2.04 -4.67 0.55 3.02 -1.26 -3.57 115.26 109.78 1r6o n ASN 101 Ca -0.11 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.01 1r6o n ASN 101 Cb 0.63 0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.97 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 -1.41 4.28 -0.21 3.52 2.12 -1.26 -0.18 118.70 125.56 1r6o s GLU 102 Ca 0.00 1.69 -0.06 0.00 0.36 0.00 0.00 54.97 56.96 1r6o s GLU 102 Cb 0.00 -3.68 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 1r6o s GLU 102 CO 0.00 -0.60 0.04 0.08 -0.54 0.00 0.00 175.26 174.24 1r6o s VAL 103 N 2.96 4.35 0.42 3.70 1.01 -0.15 -4.94 120.40 127.75 1r6o s VAL 103 Ca 0.56 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.44 1r6o s VAL 103 Cb -0.24 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1r6o s VAL 103 CO 0.18 0.41 0.29 0.42 0.00 0.00 0.00 175.10 176.40 1r6o s THR 104 N 0.95 2.49 0.53 3.92 -4.23 -1.26 -1.46 115.64 116.57 1r6o s THR 104 Ca 0.03 -1.51 0.18 0.00 -1.18 0.00 0.00 61.69 59.22 1r6o s THR 104 Cb -0.14 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 70.99 1r6o s THR 104 CO 0.02 0.00 2.14 1.23 -0.54 0.00 0.00 174.62 177.47 1r6o h GLY 105 N 1.21 0.00 1.14 3.99 0.00 -1.95 -1.70 103.07 105.76 1r6o h GLY 105 Ca -0.42 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 1r6o h GLY 105 CO 0.63 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 177.02 1r6o h ALA 106 N 1.97 0.76 -0.49 3.60 0.00 -1.92 -0.72 119.26 122.46 1r6o h ALA 106 Ca 0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1r6o h ALA 106 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1r6o h ALA 106 CO -0.00 0.67 0.08 -0.91 0.00 0.00 0.00 179.25 179.09 1r6o h ASN 107 N 0.87 0.71 -0.11 0.00 -0.26 -1.71 -1.64 115.58 113.44 1r6o h ASN 107 Ca 0.13 -0.14 -0.12 0.00 -0.56 0.00 0.00 56.30 55.61 1r6o h ASN 107 Cb 0.72 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.78 1r6o h ASN 107 CO 0.05 0.73 -0.31 0.58 -1.06 0.00 0.00 177.43 177.42 1r6o h VAL 108 N 0.73 1.28 -0.71 2.81 2.07 -1.12 -2.20 116.25 119.11 1r6o h VAL 108 Ca 0.16 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1r6o h VAL 108 Cb 0.33 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1r6o h VAL 108 CO 0.00 0.45 0.35 0.25 0.02 0.00 0.00 177.57 178.65 1r6o h LEU 109 N 0.51 0.93 -0.75 2.57 5.85 -0.67 -2.03 115.31 121.71 1r6o h LEU 109 Ca 0.06 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1r6o h LEU 109 Cb 0.79 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1r6o h LEU 109 CO 0.06 0.79 0.44 0.58 -0.34 0.00 0.00 178.44 179.98 1r6o h VAL 110 N 0.99 1.22 0.00 1.05 2.07 -1.01 -2.74 116.25 117.83 1r6o h VAL 110 Ca 0.25 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1r6o h VAL 110 Cb 0.10 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1r6o h VAL 110 CO -0.03 0.23 -0.21 0.00 0.02 0.00 0.00 177.57 177.58 1r6o h ALA 111 N 1.23 1.11 -0.44 1.67 0.00 -0.81 -3.03 119.26 119.00 1r6o h ALA 111 Ca 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1r6o h ALA 111 Cb -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1r6o h ALA 111 CO -0.05 0.26 0.18 0.82 0.00 0.00 0.00 179.25 180.46 1r6o h ILE 112 N 0.00 1.16 -0.05 0.00 2.04 -1.06 -2.62 117.51 116.98 1r6o h ILE 112 Ca -0.00 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.36 1r6o h ILE 112 Cb 0.63 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1r6o h ILE 112 CO 0.03 0.20 0.08 -0.26 0.00 0.00 0.00 178.15 178.19 1r6o h PHE 113 N 0.62 0.00 -0.00 1.37 0.04 -1.64 -0.89 116.94 116.43 1r6o h PHE 113 Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1r6o h PHE 113 Cb 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1r6o h PHE 113 CO 0.01 0.00 -0.06 0.43 -0.60 0.00 0.00 178.31 178.09 1r6o n SER 114 N -3.55 0.11 -4.40 2.17 7.64 -0.99 -4.12 113.62 110.48 1r6o n SER 114 Ca -0.02 0.07 -0.44 0.00 1.01 0.00 0.00 58.87 59.48 1r6o n SER 114 Cb 0.16 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1r6o n SER 114 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1r6o n GLU 115 N -1.35 3.46 0.30 1.43 -0.58 -0.34 -4.88 120.64 118.68 1r6o n GLU 115 Ca 0.10 -4.14 0.18 0.00 -0.42 0.00 0.00 57.16 52.89 1r6o n GLU 115 Cb 0.30 -2.81 0.94 0.00 -0.57 0.00 0.00 31.44 29.30 1r6o n GLU 115 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1r6o h GLN 116 N 6.88 0.00 -0.67 3.49 4.20 -1.82 -2.06 115.11 125.13 1r6o h GLN 116 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1r6o h GLN 116 Cb 0.87 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.65 1r6o h GLN 116 CO 1.14 0.03 0.00 0.39 -0.67 0.00 0.00 178.83 179.72 1r6o n GLU 117 N -3.27 3.44 -3.39 1.46 1.02 -1.26 -4.82 120.64 113.82 1r6o n GLU 117 Ca -0.02 -2.82 -0.34 0.00 -0.02 0.00 0.00 57.16 53.96 1r6o n GLU 117 Cb 0.18 -1.79 -0.06 0.00 -0.02 0.00 0.00 31.44 29.74 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 -0.95 6.73 0.33 1.62 1.04 -0.77 -4.98 113.70 116.72 1r6o s SER 118 Ca 0.50 1.00 0.08 0.00 0.48 0.00 0.00 55.95 58.01 1r6o s SER 118 Cb 0.31 -2.26 0.59 0.00 0.10 0.00 0.00 66.02 64.76 1r6o s SER 118 CO 0.27 0.02 1.78 -0.61 0.98 0.00 0.00 173.24 175.69 1r6o h GLN 119 N 3.09 0.22 -0.39 4.02 5.75 -1.92 -2.84 115.11 123.04 1r6o h GLN 119 Ca -0.48 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 57.95 1r6o h GLN 119 Cb 1.18 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.70 1r6o h GLN 119 CO 0.67 0.51 0.24 0.00 -2.65 0.00 0.00 178.83 177.61 1r6o h ALA 120 N 1.49 0.49 -0.61 3.38 0.00 -1.92 0.48 119.26 122.58 1r6o h ALA 120 Ca 0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1r6o h ALA 120 Cb 0.65 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1r6o h ALA 120 CO 0.05 -0.08 0.12 0.00 0.00 0.00 0.00 179.25 179.34 1r6o h ALA 121 N 1.16 1.07 -0.26 0.00 0.00 -1.77 -1.47 119.26 117.99 1r6o h ALA 121 Ca 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1r6o h ALA 121 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1r6o h ALA 121 CO -0.05 0.61 0.10 -0.92 0.00 0.00 0.00 179.25 178.99 1r6o h TYR 122 N 0.91 0.39 -0.50 0.00 3.20 -1.19 -2.03 116.97 117.77 1r6o h TYR 122 Ca 0.19 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 1r6o h TYR 122 Cb 0.36 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1r6o h TYR 122 CO 0.02 0.41 0.03 -0.07 -1.64 0.00 0.00 178.16 176.91 1r6o h LEU 123 N 0.26 0.78 -0.27 2.82 3.38 -0.70 0.81 115.31 122.40 1r6o h LEU 123 Ca 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1r6o h LEU 123 Cb 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1r6o h LEU 123 CO -0.01 0.83 0.09 -0.07 0.09 0.00 0.00 178.44 179.38 1r6o h LEU 124 N 0.77 0.39 -1.37 1.67 3.38 -1.16 -0.73 115.31 118.25 1r6o h LEU 124 Ca 0.15 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1r6o h LEU 124 Cb 0.43 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1r6o h LEU 124 CO 0.02 0.48 -0.31 0.03 0.09 0.00 0.00 178.44 178.75 1r6o h ARG 125 N 0.28 0.00 -0.01 1.13 3.08 -1.10 -1.19 114.38 116.56 1r6o h ARG 125 Ca 0.09 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.03 1r6o h ARG 125 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1r6o h ARG 125 CO -0.00 0.31 -0.51 -0.22 -1.07 0.00 0.00 179.97 178.48 1r6o h LYS 126 N 0.00 0.03 -0.76 0.04 3.64 -0.40 -2.22 116.57 116.89 1r6o h LYS 126 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1r6o h LYS 126 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1r6o h LYS 126 CO 0.04 0.53 0.00 0.72 -2.27 0.00 0.00 179.45 178.47 1r6o n HIS 127 N -3.94 1.15 -2.07 1.91 8.25 -0.32 -4.90 115.22 115.30 1r6o n HIS 127 Ca -0.02 -0.40 -0.15 0.00 -0.26 0.00 0.00 57.72 56.90 1r6o n HIS 127 Cb 0.52 -0.32 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 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 0.35 -1.15 -4.21 -0.41 -0.58 -0.84 -4.84 120.64 108.96 1r6o n GLU 128 Ca 0.15 0.80 -0.34 0.00 -0.42 0.00 0.00 57.16 57.35 1r6o n GLU 128 Cb 0.77 -5.08 -0.12 0.00 -0.57 0.00 0.00 31.44 26.44 1r6o n GLU 128 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1r6o s VAL 129 N -2.70 4.11 0.30 2.62 1.01 -0.54 -5.01 120.40 120.20 1r6o s VAL 129 Ca 0.00 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.79 1r6o s VAL 129 Cb 0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1r6o s VAL 129 CO 0.00 0.46 0.16 -0.94 0.00 0.00 0.00 175.10 174.78 1r6o s SER 130 N 0.57 4.98 0.18 3.32 1.04 -1.26 -3.69 113.70 118.85 1r6o s SER 130 Ca -0.01 -0.56 -0.13 0.00 0.48 0.00 0.00 55.95 55.73 1r6o s SER 130 Cb -0.14 -0.96 0.14 0.00 0.10 0.00 0.00 66.02 65.16 1r6o s SER 130 CO 0.02 -0.19 1.79 -0.09 0.98 0.00 0.00 173.24 175.75 1r6o h ARG 131 N 1.54 0.51 -0.60 4.02 2.43 -1.96 -2.43 114.38 117.89 1r6o h ARG 131 Ca -0.45 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.66 1r6o h ARG 131 Cb 1.25 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1r6o h ARG 131 CO 0.61 0.34 0.25 1.25 -1.51 0.00 0.00 179.97 180.91 1r6o h LEU 132 N 0.52 0.79 -0.72 3.80 6.46 -1.97 -1.80 115.31 122.39 1r6o h LEU 132 Ca 0.23 -0.10 0.08 0.00 -0.12 0.00 0.00 57.88 57.98 1r6o h LEU 132 Cb 0.13 -0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 39.79 1r6o h LEU 132 CO -0.15 0.70 0.38 0.44 -0.62 0.00 0.00 178.44 179.18 1r6o h ASP 133 N 0.86 0.52 -0.23 1.25 3.32 -1.84 0.20 116.42 120.50 1r6o h ASP 133 Ca 0.21 0.05 -0.15 0.00 0.02 0.00 0.00 57.03 57.15 1r6o h ASP 133 Cb 0.15 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1r6o h ASP 133 CO -0.02 0.31 -0.45 0.58 -1.72 0.00 0.00 179.24 177.94 1r6o h VAL 134 N 0.66 1.31 -0.73 -1.35 2.07 -1.29 -2.20 116.25 114.71 1r6o h VAL 134 Ca 0.34 -1.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 1r6o h VAL 134 Cb 0.31 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1r6o h VAL 134 CO -0.24 0.53 0.21 0.58 0.02 0.00 0.00 177.57 178.67 1r6o h VAL 135 N 0.44 1.26 -0.52 2.57 2.07 -1.04 -0.79 116.25 120.24 1r6o h VAL 135 Ca 0.01 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 1r6o h VAL 135 Cb 1.05 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1r6o h VAL 135 CO 0.10 0.36 0.12 0.78 0.02 0.00 0.00 177.57 178.96 1r6o h ASN 136 N 1.10 0.74 -0.39 0.57 2.35 -0.56 -0.65 115.58 118.73 1r6o h ASN 136 Ca 0.23 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 1r6o h ASN 136 Cb 0.33 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1r6o h ASN 136 CO -0.00 0.73 -0.05 0.15 -1.65 0.00 0.00 177.43 176.60 1r6o h PHE 137 N 0.77 0.81 -0.65 1.19 3.57 -0.89 0.25 116.94 121.98 1r6o h PHE 137 Ca 0.17 -0.16 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1r6o h PHE 137 Cb 0.29 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1r6o h PHE 137 CO 0.02 0.84 0.40 0.82 -2.23 0.00 0.00 178.31 178.16 1r6o h ILE 138 N 0.54 1.18 0.08 1.41 2.04 -0.79 0.13 117.51 122.10 1r6o h ILE 138 Ca 0.10 -0.39 -0.25 0.00 1.00 0.00 0.00 64.86 65.32 1r6o h ILE 138 Cb 0.56 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1r6o h ILE 138 CO 0.03 0.19 -1.15 0.28 0.00 0.00 0.00 178.15 177.50 1r6o h SER 139 N 0.88 0.25 0.00 1.72 0.02 -1.02 -3.40 113.55 112.01 1r6o h SER 139 Ca 0.23 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1r6o h SER 139 Cb -0.04 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1r6o h SER 139 CO -0.05 1.21 0.00 1.41 -1.14 0.00 0.00 176.83 178.27 1r6o n HIS 140 N -3.46 0.00 -4.30 3.45 8.25 0.86 -5.09 115.22 114.94 1r6o n HIS 140 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1r6o n HIS 140 Cb 0.99 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.10 1r6o n HIS 140 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1r6o n GLY 141 N 0.08 0.23 0.76 -1.41 0.00 0.45 -4.98 105.19 100.32 1r6o n GLY 141 Ca 0.00 -0.93 0.09 0.00 0.00 0.00 0.00 46.02 45.19 1r6o n GLY 141 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73