#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otl s HIS 2 N 0.00 2.88 -0.25 1.12 3.76 0.95 -4.33 115.29 119.42 2otl s HIS 2 Ca 0.00 -0.09 -0.09 0.00 -0.15 0.00 0.00 55.06 54.73 2otl s HIS 2 Cb 0.00 -1.48 -0.04 0.00 1.11 0.00 0.00 32.58 32.17 2otl s HIS 2 CO 0.00 0.46 0.13 0.00 -0.85 0.00 0.00 174.74 174.48 2otl s ALA 3 N -1.31 3.42 -0.16 -1.40 0.00 0.22 -0.56 121.76 121.98 2otl s ALA 3 Ca 0.24 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 2otl s ALA 3 Cb -0.11 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.72 2otl s ALA 3 CO 0.17 -0.35 0.02 -0.51 0.00 0.00 0.00 175.76 175.08 2otl s LEU 4 N 1.37 3.59 -0.10 0.00 1.43 0.78 -2.69 118.68 123.06 2otl s LEU 4 Ca 0.06 0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2otl s LEU 4 Cb -0.15 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.22 2otl s LEU 4 CO 0.06 0.21 -0.06 -0.69 0.23 0.00 0.00 176.35 176.10 2otl s VAL 5 N 0.13 0.87 0.03 -1.59 1.01 0.32 -0.84 120.40 120.33 2otl s VAL 5 Ca 0.02 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 2otl s VAL 5 Cb -0.13 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 2otl s VAL 5 CO 0.02 0.34 1.17 -1.58 0.00 0.00 0.00 175.10 175.04 2otl s GLN 6 N 1.66 4.43 -0.00 2.72 0.74 -1.03 -0.35 119.66 127.83 2otl s GLN 6 Ca 0.03 1.70 0.02 0.00 0.05 0.00 0.00 55.36 57.16 2otl s GLN 6 Cb -0.13 -3.41 -0.03 0.00 1.10 0.00 0.00 33.01 30.55 2otl s GLN 6 CO -0.06 -0.27 0.06 1.28 -0.55 0.00 0.00 175.29 175.75 2otl n LEU 7 N 4.19 0.04 -4.37 3.68 4.77 -0.48 -0.74 117.00 124.09 2otl n LEU 7 Ca 0.09 -0.19 -0.32 0.00 -0.03 0.00 0.00 56.01 55.56 2otl n LEU 7 Cb 0.47 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 2otl n LEU 7 CO 0.55 0.01 -0.52 -0.13 -1.33 0.00 0.00 177.39 175.96 2otl s ARG 8 N -1.78 2.29 1.27 3.23 0.52 -1.13 -4.90 118.95 118.45 2otl s ARG 8 Ca -0.00 -0.84 -0.20 0.00 -0.52 0.00 0.00 55.73 54.17 2otl s ARG 8 Cb 0.01 -2.18 0.31 0.00 0.52 0.00 0.00 34.95 33.62 2otl s ARG 8 CO 0.09 0.57 1.03 0.20 0.02 0.00 0.00 175.30 177.22 2otl s GLY 9 N -0.62 1.51 0.09 -3.53 0.00 -1.26 -4.86 107.32 98.65 2otl s GLY 9 Ca 0.10 -0.80 -0.00 0.00 0.00 0.00 0.00 44.72 44.02 2otl s GLY 9 CO -0.00 0.11 1.18 1.05 0.00 0.00 0.00 173.10 175.43 2otl h GLU 10 N -2.87 0.17 -6.24 2.90 4.11 -1.98 -3.42 114.58 107.25 2otl h GLU 10 Ca -0.47 -0.30 -0.63 0.00 0.07 0.00 0.00 59.36 58.04 2otl h GLU 10 Cb 1.32 0.11 0.02 0.00 0.50 0.00 0.00 28.75 30.69 2otl h GLU 10 CO 0.35 1.13 1.10 0.28 0.07 0.00 0.00 179.01 181.94 2otl n VAL 11 N -3.46 0.54 0.00 -1.06 0.31 -1.26 -1.09 118.33 112.30 2otl n VAL 11 Ca -0.06 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2otl n VAL 11 Cb 1.00 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 2otl n VAL 11 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2otl n ASN 12 N 6.74 0.00 -4.76 4.52 3.02 -1.26 -5.02 115.26 118.49 2otl n ASN 12 Ca 0.24 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.38 2otl n ASN 12 Cb 0.28 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.42 2otl n ASN 12 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2otl s MET 13 N -0.20 4.38 0.39 3.52 -2.45 -0.25 -4.93 119.30 119.75 2otl s MET 13 Ca 0.00 2.17 -0.25 0.00 -1.25 0.00 0.00 55.69 56.36 2otl s MET 13 Cb 0.00 -3.09 -0.11 0.00 1.25 0.00 0.00 34.83 32.88 2otl s MET 13 CO 0.00 -0.18 1.10 0.72 1.05 0.00 0.00 175.02 177.72 2otl n HIS 14 N 1.09 1.53 -0.16 4.11 8.25 -1.26 -4.79 115.22 123.99 2otl n HIS 14 Ca 0.01 0.57 -0.05 0.00 -0.26 0.00 0.00 57.72 57.98 2otl n HIS 14 Cb 0.42 -2.29 0.04 0.00 1.12 0.00 0.00 29.99 29.28 2otl n HIS 14 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2otl h THR 15 N 1.84 0.99 0.00 1.59 2.02 -1.96 -0.88 112.91 116.51 2otl h THR 15 Ca -0.45 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 2otl h THR 15 Cb 1.32 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2otl h THR 15 CO 0.59 0.09 -0.17 -2.24 0.37 0.00 0.00 175.52 174.16 2otl h ASP 16 N 0.50 0.00 -0.00 4.18 2.03 -1.99 0.64 116.42 121.79 2otl h ASP 16 Ca 0.20 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.27 2otl h ASP 16 Cb 0.09 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.61 2otl h ASP 16 CO -0.13 0.17 -0.93 0.40 -1.03 0.00 0.00 179.24 177.72 2otl h ILE 17 N 0.00 1.32 -0.63 4.15 2.04 -1.73 -2.58 117.51 120.08 2otl h ILE 17 Ca -0.00 -2.20 -0.05 0.00 1.00 0.00 0.00 64.86 63.61 2otl h ILE 17 Cb 0.36 2.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 2otl h ILE 17 CO 0.02 0.67 0.20 -0.61 0.00 0.00 0.00 178.15 178.43 2otl h GLN 18 N 0.27 0.98 -0.55 2.37 4.15 -0.58 -2.47 115.11 119.29 2otl h GLN 18 Ca -0.12 -0.21 -0.04 0.00 0.77 0.00 0.00 58.65 59.05 2otl h GLN 18 Cb 1.59 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 29.12 2otl h GLN 18 CO 0.18 0.86 0.17 -0.44 -1.93 0.00 0.00 178.83 177.68 2otl h ASP 19 N 0.91 0.75 -0.39 -0.69 3.32 -0.90 -2.05 116.42 117.36 2otl h ASP 19 Ca 0.20 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 2otl h ASP 19 Cb 0.29 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2otl h ASP 19 CO -0.01 0.71 0.07 0.74 -1.72 0.00 0.00 179.24 179.03 2otl h THR 20 N 0.79 1.24 0.00 0.35 2.02 -1.20 -1.15 112.91 114.97 2otl h THR 20 Ca 0.18 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 2otl h THR 20 Cb 0.23 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2otl h THR 20 CO -0.01 0.29 -0.01 -0.07 0.37 0.00 0.00 175.52 176.10 2otl h LEU 21 N 0.50 0.00 0.05 2.58 3.38 -0.97 0.62 115.31 121.47 2otl h LEU 21 Ca 0.12 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.85 2otl h LEU 21 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2otl h LEU 21 CO 0.01 0.01 -1.12 -0.33 0.09 0.00 0.00 178.44 177.10 2otl h GLU 22 N 0.00 0.11 0.00 1.13 5.08 -0.86 0.19 114.58 120.23 2otl h GLU 22 Ca -0.00 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 2otl h GLU 22 Cb 0.01 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2otl h GLU 22 CO 0.00 1.08 -0.18 0.52 -1.00 0.00 0.00 179.01 179.43 2otl h MET 23 N 0.03 0.00 -0.68 2.33 2.86 0.28 -1.27 114.93 118.48 2otl h MET 23 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2otl h MET 23 Cb 1.86 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.52 2otl h MET 23 CO 0.16 0.18 0.00 1.28 1.06 0.00 0.00 176.91 179.59 2otl n LEU 24 N -3.35 4.07 -1.34 1.22 4.77 -0.13 -4.92 117.00 117.32 2otl n LEU 24 Ca 0.00 -2.06 -0.18 0.00 -0.03 0.00 0.00 56.01 53.74 2otl n LEU 24 Cb 0.40 -0.58 -0.08 0.00 -2.33 0.00 0.00 43.42 40.83 2otl n LEU 24 CO 0.32 0.55 -0.17 0.59 -1.33 0.00 0.00 177.39 177.35 2otl n ASN 25 N 0.54 -5.36 -4.43 -1.43 3.02 -0.48 -4.84 115.26 102.27 2otl n ASN 25 Ca 0.19 0.43 -0.35 0.00 -0.03 0.00 0.00 54.58 54.83 2otl n ASN 25 Cb 0.84 -4.41 -0.13 0.00 -0.61 0.00 0.00 39.78 35.47 2otl n ASN 25 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2otl s ILE 26 N -2.57 3.91 0.00 2.41 -4.36 0.66 -4.71 121.20 116.54 2otl s ILE 26 Ca 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 60.65 60.07 2otl s ILE 26 Cb 0.00 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 40.94 2otl s ILE 26 CO 0.00 0.42 0.63 1.41 0.24 0.00 0.00 174.94 177.64 2otl n HIS 27 N 4.34 0.00 -3.80 1.37 8.25 -1.26 -3.57 115.22 120.55 2otl n HIS 27 Ca -0.17 -0.18 -0.11 0.00 -0.26 0.00 0.00 57.72 57.00 2otl n HIS 27 Cb 0.52 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.53 2otl n HIS 27 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2otl s HIS 28 N -0.36 -0.02 0.45 4.41 3.76 -1.26 -5.09 115.29 117.18 2otl s HIS 28 Ca 0.00 -0.17 -0.25 0.00 -0.15 0.00 0.00 55.06 54.49 2otl s HIS 28 Cb 0.00 0.03 -0.08 0.00 1.11 0.00 0.00 32.58 33.64 2otl s HIS 28 CO 0.00 -0.47 1.38 0.08 -0.85 0.00 0.00 174.74 174.88 2otl s VAL 29 N -2.63 2.24 0.00 -0.90 1.01 -1.26 -2.17 120.40 116.69 2otl s VAL 29 Ca -0.05 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2otl s VAL 29 Cb -0.01 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2otl s VAL 29 CO -0.04 0.03 0.00 0.59 0.00 0.00 0.00 175.10 175.68 2otl n ASN 30 N -0.18 0.00 -4.74 3.32 3.02 0.08 -4.96 115.26 111.79 2otl n ASN 30 Ca 0.05 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.20 2otl n ASN 30 Cb 0.43 -0.32 -0.05 0.00 -0.61 0.00 0.00 39.78 39.22 2otl n ASN 30 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2otl s HIS 31 N -3.53 3.86 0.16 3.10 3.76 -0.92 -2.42 115.29 119.30 2otl s HIS 31 Ca 0.00 1.76 0.09 0.00 -0.15 0.00 0.00 55.06 56.76 2otl s HIS 31 Cb 0.00 -2.96 -0.04 0.00 1.11 0.00 0.00 32.58 30.69 2otl s HIS 31 CO 0.00 0.33 -0.15 0.00 -0.85 0.00 0.00 174.74 174.06 2otl s THR 33 N -1.49 0.14 -0.35 0.00 -1.32 -0.02 -0.18 115.64 112.42 2otl s THR 33 Ca 0.21 -1.11 -0.09 0.00 -1.21 0.00 0.00 61.69 59.49 2otl s THR 33 Cb -0.09 -1.03 0.02 0.00 -1.51 0.00 0.00 72.50 69.89 2otl s THR 33 CO 0.12 -0.62 0.16 -0.76 -2.21 0.00 0.00 174.62 171.32 2otl s LEU 34 N -2.32 4.45 -0.14 9.08 1.43 -1.26 -0.16 118.68 129.78 2otl s LEU 34 Ca -0.02 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.12 2otl s LEU 34 Cb 0.01 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 2otl s LEU 34 CO -0.06 -0.33 -0.09 0.54 0.23 0.00 0.00 176.35 176.64 2otl s VAL 35 N 1.52 3.39 0.68 -1.59 0.11 0.27 -4.95 120.40 119.82 2otl s VAL 35 Ca 0.01 -0.54 -0.15 0.00 -2.93 0.00 0.00 61.98 58.37 2otl s VAL 35 Cb -0.19 -2.45 0.01 0.00 -1.53 0.00 0.00 36.38 32.23 2otl s VAL 35 CO 0.05 0.52 1.14 -2.84 -3.33 0.00 0.00 175.10 170.63 2otl s PRO 36 N 0.30 2.62 -1.09 1.54 0.02 -1.26 -0.03 135.00 137.10 2otl s PRO 36 Ca -0.07 1.49 -0.14 0.00 0.02 0.00 0.00 61.00 62.30 2otl s PRO 36 Cb -0.15 -1.92 0.19 0.00 0.02 0.00 0.00 34.50 32.64 2otl s PRO 36 CO 0.04 -1.41 1.24 -1.21 -0.33 0.00 0.00 177.00 175.34 2otl s GLU 37 N -4.03 3.96 0.40 5.54 2.02 -1.26 -4.75 118.70 120.59 2otl s GLU 37 Ca 0.69 -2.52 0.07 0.00 0.02 0.00 0.00 54.97 53.23 2otl s GLU 37 Cb -0.23 -4.87 -0.07 0.00 0.10 0.00 0.00 34.13 29.06 2otl s GLU 37 CO 0.42 -1.62 0.06 0.99 0.02 0.00 0.00 175.26 175.14 2otl s THR 38 N 1.11 2.14 0.12 3.63 2.01 -1.26 -4.93 115.64 118.47 2otl s THR 38 Ca 0.36 -1.91 -0.16 0.00 0.31 0.00 0.00 61.69 60.29 2otl s THR 38 Cb -0.05 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 2otl s THR 38 CO -0.05 -0.02 1.65 0.44 -0.69 0.00 0.00 174.62 175.95 2otl h ASP 39 N 1.67 0.54 -0.59 3.53 3.32 -2.00 -1.33 116.42 121.56 2otl h ASP 39 Ca -0.43 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.38 2otl h ASP 39 Cb 1.25 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 2otl h ASP 39 CO 0.76 0.60 0.26 0.00 -1.72 0.00 0.00 179.24 179.14 2otl h ALA 40 N 0.96 1.28 0.00 3.45 0.00 -1.97 -2.52 119.26 120.46 2otl h ALA 40 Ca 0.12 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 2otl h ALA 40 Cb 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2otl h ALA 40 CO -0.00 0.54 -0.80 1.88 0.00 0.00 0.00 179.25 180.86 2otl h TYR 41 N 0.90 0.00 -0.59 0.00 0.99 -1.82 -3.17 116.97 113.28 2otl h TYR 41 Ca 0.21 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.88 2otl h TYR 41 Cb 0.16 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.87 2otl h TYR 41 CO 0.01 0.80 0.10 0.00 -0.00 0.00 0.00 178.16 179.08 2otl h ARG 42 N 0.00 0.96 -0.54 4.88 3.08 -0.84 -1.78 114.38 120.14 2otl h ARG 42 Ca -0.01 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 2otl h ARG 42 Cb 1.46 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.36 2otl h ARG 42 CO 0.10 0.91 0.28 0.78 -1.07 0.00 0.00 179.97 180.97 2otl h GLY 43 N 0.86 0.80 0.57 0.04 0.00 -1.49 -1.16 103.07 102.71 2otl h GLY 43 Ca 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2otl h GLY 43 CO 0.01 0.34 -0.11 -0.33 0.00 0.00 0.00 176.54 176.45 2otl h MET 44 N 0.76 -0.29 0.00 4.80 2.86 -1.43 -2.67 114.93 118.95 2otl h MET 44 Ca 0.19 0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.80 2otl h MET 44 Cb 0.05 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2otl h MET 44 CO -0.03 0.07 -0.26 -0.39 1.06 0.00 0.00 176.91 177.36 2otl h VAL 45 N -0.73 0.96 -0.62 -2.22 -1.51 -1.25 -1.75 116.25 109.13 2otl h VAL 45 Ca -0.03 -0.98 -0.08 0.00 -1.23 0.00 0.00 66.70 64.38 2otl h VAL 45 Cb 0.49 1.56 -0.02 0.00 -2.13 0.00 0.00 31.29 31.19 2otl h VAL 45 CO 0.05 0.26 0.07 0.00 -1.23 0.00 0.00 177.57 176.72 2otl h ALA 46 N 1.74 0.95 0.00 5.19 0.00 -1.22 0.18 119.26 126.10 2otl h ALA 46 Ca -0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 2otl h ALA 46 Cb 0.54 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2otl h ALA 46 CO 0.03 0.65 -0.43 -0.22 0.00 0.00 0.00 179.25 179.28 2otl h LYS 47 N 0.97 0.00 -0.01 0.00 3.64 -1.00 -2.84 116.57 117.33 2otl h LYS 47 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2otl h LYS 47 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2otl h LYS 47 CO 0.02 0.43 -0.42 0.28 -2.27 0.00 0.00 179.45 177.48 2otl n VAL 48 N -3.73 0.00 -0.26 2.00 0.31 -0.73 -4.65 118.33 111.27 2otl n VAL 48 Ca -0.01 -0.22 0.21 0.00 -0.01 0.00 0.00 64.34 64.31 2otl n VAL 48 Cb 0.50 1.02 0.40 0.00 -0.91 0.00 0.00 33.84 34.85 2otl n VAL 48 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2otl n ASN 49 N -0.20 0.17 -0.12 4.52 2.85 0.59 -1.12 115.26 121.95 2otl n ASN 49 Ca 0.10 1.31 0.15 0.00 -0.11 0.00 0.00 54.58 56.03 2otl n ASN 49 Cb 0.44 -0.60 0.77 0.00 1.24 0.00 0.00 39.78 41.63 2otl n ASN 49 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2otl n ASP 50 N -4.87 0.40 -0.02 1.20 8.00 -1.26 -3.00 116.55 117.00 2otl n ASP 50 Ca 0.27 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.86 2otl n ASP 50 Cb 0.90 -0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.96 2otl n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2otl n PHE 51 N -0.79 0.00 -4.32 1.24 3.01 -0.28 -4.90 117.46 111.41 2otl n PHE 51 Ca 0.20 -0.29 -0.17 0.00 1.01 0.00 0.00 57.45 58.20 2otl n PHE 51 Cb 0.21 -0.03 -0.10 0.00 -0.01 0.00 0.00 39.48 39.55 2otl n PHE 51 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2otl s VAL 52 N -0.61 0.51 -0.10 -4.37 0.11 -1.17 -1.38 120.40 113.39 2otl s VAL 52 Ca 0.01 -2.00 -0.00 0.00 -2.93 0.00 0.00 61.98 57.06 2otl s VAL 52 Cb 0.01 -2.61 0.02 0.00 -1.53 0.00 0.00 36.38 32.28 2otl s VAL 52 CO 0.00 0.00 -0.07 0.00 -3.33 0.00 0.00 175.10 171.70 2otl s ALA 53 N -3.72 1.18 0.16 1.54 0.00 0.53 -1.22 121.76 120.22 2otl s ALA 53 Ca 0.37 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 2otl s ALA 53 Cb 0.07 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 2otl s ALA 53 CO 0.14 -0.33 0.07 -0.59 0.00 0.00 0.00 175.76 175.06 2otl s PHE 54 N 1.56 1.02 0.00 0.00 -0.12 -1.10 -0.52 117.98 118.82 2otl s PHE 54 Ca 0.01 -1.25 0.00 0.00 -0.05 0.00 0.00 56.93 55.64 2otl s PHE 54 Cb -0.13 -0.55 0.00 0.00 -0.63 0.00 0.00 43.02 41.71 2otl s PHE 54 CO -0.06 -0.51 0.00 0.41 -0.05 0.00 0.00 175.22 175.01 2otl n GLY 55 N -0.18 0.62 3.54 1.99 0.00 -1.10 -0.16 105.19 109.91 2otl n GLY 55 Ca -0.03 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 2otl n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2otl s GLU 56 N -2.00 3.50 0.66 1.61 2.12 -1.26 0.73 118.70 124.06 2otl s GLU 56 Ca 0.00 -0.22 -0.11 0.00 0.36 0.00 0.00 54.97 55.00 2otl s GLU 56 Cb 0.00 -3.86 -0.01 0.00 0.26 0.00 0.00 34.13 30.52 2otl s GLU 56 CO 0.00 -0.78 1.05 -1.25 -0.54 0.00 0.00 175.26 173.74 2otl s PRO 57 N 2.55 3.21 0.40 4.30 0.04 -1.26 -4.24 135.00 140.01 2otl s PRO 57 Ca 0.20 0.77 -0.22 0.00 0.04 0.00 0.00 61.00 61.79 2otl s PRO 57 Cb -0.15 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 2otl s PRO 57 CO 0.15 -0.86 0.94 -1.54 0.04 0.00 0.00 177.00 175.73 2otl s SER 58 N -4.07 7.02 0.24 6.66 1.04 -1.26 -4.87 113.70 118.45 2otl s SER 58 Ca 0.57 1.70 -0.09 0.00 0.48 0.00 0.00 55.95 58.61 2otl s SER 58 Cb -0.12 -2.54 0.37 0.00 0.10 0.00 0.00 66.02 63.83 2otl s SER 58 CO 0.54 -0.29 1.63 -0.61 0.98 0.00 0.00 173.24 175.49 2otl h GLN 59 N 2.21 0.06 -0.20 4.02 5.75 -1.96 0.59 115.11 125.58 2otl h GLN 59 Ca -0.48 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.05 2otl h GLN 59 Cb 1.18 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.69 2otl h GLN 59 CO 0.62 0.04 -0.00 1.49 -2.65 0.00 0.00 178.83 178.33 2otl h GLU 60 N 0.06 0.06 -0.57 1.69 4.81 -2.00 -1.52 114.58 117.12 2otl h GLU 60 Ca 0.38 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.54 2otl h GLU 60 Cb 0.64 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2otl h GLU 60 CO -0.68 0.04 0.09 1.15 -0.73 0.00 0.00 179.01 178.88 2otl h THR 61 N 0.06 1.24 -0.62 0.32 2.02 -1.56 -2.32 112.91 112.05 2otl h THR 61 Ca 0.10 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 2otl h THR 61 Cb 0.12 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2otl h THR 61 CO -0.16 0.35 0.29 0.25 0.37 0.00 0.00 175.52 176.61 2otl h LEU 62 N 0.86 0.82 -1.18 2.58 5.85 -0.59 -2.22 115.31 121.43 2otl h LEU 62 Ca 0.18 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2otl h LEU 62 Cb 0.39 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2otl h LEU 62 CO 0.01 0.73 0.56 -0.33 -0.34 0.00 0.00 178.44 179.07 2otl h GLU 63 N 0.85 1.05 -0.48 1.25 5.08 -0.80 0.17 114.58 121.70 2otl h GLU 63 Ca 0.21 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 2otl h GLU 63 Cb 0.14 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2otl h GLU 63 CO -0.02 0.69 -0.09 1.15 -1.00 0.00 0.00 179.01 179.74 2otl h THR 64 N 1.08 1.27 -0.19 1.13 2.02 -0.99 -1.74 112.91 115.48 2otl h THR 64 Ca 0.33 -1.21 -0.07 0.00 0.77 0.00 0.00 66.41 66.23 2otl h THR 64 Cb -0.00 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2otl h THR 64 CO -0.09 0.42 -0.15 0.58 0.37 0.00 0.00 175.52 176.64 2otl h VAL 65 N 0.75 1.32 -0.75 3.16 2.07 -0.82 -1.48 116.25 120.50 2otl h VAL 65 Ca 0.12 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 2otl h VAL 65 Cb 0.64 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 2otl h VAL 65 CO 0.04 0.39 0.36 -0.07 0.02 0.00 0.00 177.57 178.31 2otl h LEU 66 N 0.12 0.97 0.22 2.57 3.38 -0.98 0.89 115.31 122.48 2otl h LEU 66 Ca 0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2otl h LEU 66 Cb 0.67 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2otl h LEU 66 CO 0.04 0.82 -0.11 0.00 0.09 0.00 0.00 178.44 179.28 2otl h ALA 67 N 1.33 -0.30 -0.00 1.53 0.00 -1.25 -2.59 119.26 117.98 2otl h ALA 67 Ca 0.26 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 2otl h ALA 67 Cb 0.11 0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.03 2otl h ALA 67 CO -0.03 -0.55 -0.75 0.00 0.00 0.00 0.00 179.25 177.91 2otl h THR 68 N -0.53 1.38 -0.01 0.00 1.03 -1.01 -3.41 112.91 110.35 2otl h THR 68 Ca -0.03 -2.14 0.00 0.00 -0.01 0.00 0.00 66.41 64.23 2otl h THR 68 Cb 0.40 2.52 0.00 0.00 -1.07 0.00 0.00 68.15 70.00 2otl h THR 68 CO 0.05 0.64 0.00 0.54 -0.01 0.00 0.00 175.52 176.74 2otl n ARG 69 N -4.09 0.01 -2.53 0.00 5.12 0.31 -5.02 116.66 110.45 2otl n ARG 69 Ca -0.11 -0.93 -0.33 0.00 -1.93 0.00 0.00 57.85 54.56 2otl n ARG 69 Cb 0.74 -1.13 -0.04 0.00 -1.16 0.00 0.00 32.46 30.87 2otl n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2otl s ALA 70 N -0.58 2.99 0.08 7.54 0.00 -0.97 -3.99 121.76 126.83 2otl s ALA 70 Ca 0.08 0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.36 2otl s ALA 70 Cb 0.06 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 2otl s ALA 70 CO 0.09 -0.19 0.06 -1.21 0.00 0.00 0.00 175.76 174.51 2otl s GLU 71 N -3.62 0.77 1.04 0.00 2.02 -1.26 -4.23 118.70 113.42 2otl s GLU 71 Ca 0.62 -1.20 -0.15 0.00 0.02 0.00 0.00 54.97 54.26 2otl s GLU 71 Cb -0.11 0.26 0.21 0.00 0.10 0.00 0.00 34.13 34.59 2otl s GLU 71 CO 0.24 -0.20 1.13 -2.14 0.02 0.00 0.00 175.26 174.30 2otl s PRO 72 N -3.94 0.09 0.45 0.39 0.02 -1.26 -0.80 135.00 129.95 2otl s PRO 72 Ca 0.11 0.19 0.31 0.00 0.02 0.00 0.00 61.00 61.63 2otl s PRO 72 Cb 0.07 -1.73 1.43 0.00 0.02 0.00 0.00 34.50 34.30 2otl s PRO 72 CO -0.07 -2.89 1.93 1.25 -0.33 0.00 0.00 177.00 176.89 2otl h LEU 73 N -2.00 0.00 -7.19 -5.54 5.85 -1.41 -3.21 115.31 101.82 2otl h LEU 73 Ca -0.50 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.13 2otl h LEU 73 Cb 1.31 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 42.12 2otl h LEU 73 CO 0.50 0.00 -0.09 -1.61 -0.34 0.00 0.00 178.44 176.90 2otl s GLU 74 N -3.64 0.63 0.00 1.25 2.02 -1.26 -4.85 118.70 112.85 2otl s GLU 74 Ca 0.00 0.73 0.00 0.00 0.02 0.00 0.00 54.97 55.73 2otl s GLU 74 Cb 0.09 0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.63 2otl s GLU 74 CO 0.42 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.04 2otl n GLY 75 N 2.77 -0.75 0.00 -1.39 0.00 -1.26 -4.89 105.19 99.67 2otl n GLY 75 Ca -0.14 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2otl n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2otl n ASP 76 N -1.58 0.00 -2.27 1.61 8.00 -1.26 -4.35 116.55 116.71 2otl n ASP 76 Ca 0.00 0.20 -0.00 0.00 0.71 0.00 0.00 54.79 55.70 2otl n ASP 76 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2otl n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2otl n ALA 77 N -1.28 -1.05 -1.78 2.24 0.00 -1.26 -4.30 120.51 113.07 2otl n ALA 77 Ca 0.00 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 2otl n ALA 77 Cb 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 2otl n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2otl s ASP 78 N -0.02 6.48 -0.88 0.00 -0.00 -1.26 -4.45 116.67 116.54 2otl s ASP 78 Ca -0.00 2.67 -0.21 0.00 -0.00 0.00 0.00 52.55 55.01 2otl s ASP 78 Cb 0.00 -2.57 0.10 0.00 -0.00 0.00 0.00 42.92 40.45 2otl s ASP 78 CO 0.01 -0.97 1.16 -0.69 -0.00 0.00 0.00 175.17 174.68 2otl s VAL 79 N 2.72 4.44 0.53 -1.27 1.01 -1.26 -4.73 120.40 121.83 2otl s VAL 79 Ca 0.79 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2otl s VAL 79 Cb -0.44 -4.82 0.01 0.00 0.00 0.00 0.00 36.38 31.14 2otl s VAL 79 CO 0.35 -1.59 0.22 1.51 0.00 0.00 0.00 175.10 175.59 2otl s ASP 80 N 3.91 4.41 0.16 3.32 1.47 -1.26 -4.40 116.67 124.28 2otl s ASP 80 Ca 0.33 -1.42 -0.24 0.00 1.18 0.00 0.00 52.55 52.40 2otl s ASP 80 Cb -0.07 0.45 0.05 0.00 -0.34 0.00 0.00 42.92 43.01 2otl s ASP 80 CO -0.04 -0.98 1.59 0.44 0.68 0.00 0.00 175.17 176.86 2otl h ASP 81 N 1.02 -1.13 -0.74 2.11 3.32 -1.93 0.24 116.42 119.32 2otl h ASP 81 Ca -0.40 0.19 0.13 0.00 0.02 0.00 0.00 57.03 56.97 2otl h ASP 81 Cb 1.31 0.52 -0.09 0.00 0.22 0.00 0.00 39.33 41.29 2otl h ASP 81 CO 0.65 -0.33 0.31 -0.08 -1.72 0.00 0.00 179.24 178.07 2otl h GLU 82 N -0.27 0.47 -0.01 3.56 4.81 -1.96 0.68 114.58 121.86 2otl h GLU 82 Ca 0.17 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2otl h GLU 82 Cb 0.55 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 2otl h GLU 82 CO -0.54 0.31 0.00 2.35 -0.73 0.00 0.00 179.01 180.40 2otl h TRP 83 N 0.48 0.01 -0.03 0.92 7.01 -1.39 -1.30 115.95 121.66 2otl h TRP 83 Ca 0.40 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.43 2otl h TRP 83 Cb 0.56 -0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.56 2otl h TRP 83 CO -0.15 0.19 -0.42 0.28 -2.79 0.00 0.00 178.44 175.55 2otl h VAL 84 N -0.17 0.15 -0.72 2.65 2.07 0.85 -1.48 116.25 119.60 2otl h VAL 84 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 2otl h VAL 84 Cb 0.18 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 2otl h VAL 84 CO -0.00 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.95 2otl h ALA 85 N -0.02 0.99 0.00 1.67 0.00 -0.86 0.78 119.26 121.84 2otl h ALA 85 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2otl h ALA 85 Cb 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2otl h ALA 85 CO -0.33 -0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.25 2otl n GLU 86 N -4.87 0.16 0.00 0.00 1.02 -0.50 -4.24 120.64 112.22 2otl n GLU 86 Ca 0.11 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 2otl n GLU 86 Cb 0.28 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 2otl n GLU 86 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2otl n HIS 87 N -2.04 0.00 -2.86 -0.32 8.25 -0.61 -5.08 115.22 112.57 2otl n HIS 87 Ca 0.04 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.30 2otl n HIS 87 Cb 0.29 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.49 2otl n HIS 87 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2otl n THR 88 N -1.04 0.00 0.27 1.59 -1.04 0.27 -4.91 114.28 109.41 2otl n THR 88 Ca 0.00 -1.69 0.09 0.00 -2.04 0.00 0.00 64.05 60.41 2otl n THR 88 Cb 0.14 -0.70 0.24 0.00 -1.82 0.00 0.00 70.33 68.20 2otl n THR 88 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2otl n ASP 89 N -2.59 2.93 -2.83 8.00 8.00 -1.26 -4.82 116.55 123.98 2otl n ASP 89 Ca 0.16 -2.02 -0.09 0.00 0.71 0.00 0.00 54.79 53.54 2otl n ASP 89 Cb 0.56 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 41.28 2otl n ASP 89 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2otl n TYR 90 N 1.06 -0.33 -0.13 1.24 4.02 -1.26 -5.08 117.16 116.68 2otl n TYR 90 Ca 0.18 -0.74 -0.18 0.00 -0.01 0.00 0.00 57.90 57.16 2otl n TYR 90 Cb 0.47 -0.12 -0.12 0.00 -0.02 0.00 0.00 39.34 39.56 2otl n TYR 90 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2otl n ASP 91 N -1.47 2.05 -2.96 7.72 8.00 -1.26 -4.30 116.55 124.33 2otl n ASP 91 Ca -0.04 -0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.22 2otl n ASP 91 Cb 0.19 -0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 40.88 2otl n ASP 91 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2otl n ASP 92 N -3.27 -1.81 -0.35 -2.24 5.75 -1.26 -3.78 116.55 109.59 2otl n ASP 92 Ca -0.45 -2.82 0.15 0.00 -0.01 0.00 0.00 54.79 51.67 2otl n ASP 92 Cb 0.97 3.18 0.36 0.00 -1.03 0.00 0.00 41.12 44.60 2otl n ASP 92 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 2otl h ILE 93 N 2.03 0.62 -0.48 2.12 2.04 -1.86 -1.25 117.51 120.73 2otl h ILE 93 Ca -0.31 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2otl h ILE 93 Cb 1.24 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2otl h ILE 93 CO 0.40 0.12 0.28 0.28 0.00 0.00 0.00 178.15 179.23 2otl h SER 94 N 0.67 0.59 -0.86 1.72 0.02 -1.96 0.35 113.55 114.08 2otl h SER 94 Ca 0.61 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.50 2otl h SER 94 Cb 1.07 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.42 2otl h SER 94 CO -0.42 0.50 0.57 1.23 -1.14 0.00 0.00 176.83 177.56 2otl h GLY 95 N 0.64 1.21 0.60 -3.77 0.00 -1.64 0.13 103.07 100.24 2otl h GLY 95 Ca 0.17 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2otl h GLY 95 CO -0.03 0.43 -0.14 -2.00 0.00 0.00 0.00 176.54 174.80 2otl h LEU 96 N 1.15 -0.33 -1.05 3.11 5.85 -1.01 -2.73 115.31 120.31 2otl h LEU 96 Ca 0.32 -0.20 0.14 0.00 0.84 0.00 0.00 57.88 58.97 2otl h LEU 96 Cb -0.11 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 40.91 2otl h LEU 96 CO -0.07 0.08 0.62 0.00 -0.34 0.00 0.00 178.44 178.73 2otl h ALA 97 N -0.27 1.60 -0.61 1.25 0.00 -0.68 -0.44 119.26 120.11 2otl h ALA 97 Ca -0.04 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2otl h ALA 97 Cb 0.51 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2otl h ALA 97 CO 0.06 0.12 0.25 0.35 0.00 0.00 0.00 179.25 180.03 2otl h PHE 98 N 0.90 0.94 -0.64 0.00 3.57 -0.73 -1.75 116.94 119.24 2otl h PHE 98 Ca 0.51 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.88 2otl h PHE 98 Cb 0.61 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 2otl h PHE 98 CO -0.00 0.74 0.16 0.00 -2.23 0.00 0.00 178.31 176.98 2otl h ALA 99 N 1.09 1.08 0.06 2.41 0.00 -0.81 -1.99 119.26 121.12 2otl h ALA 99 Ca 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2otl h ALA 99 Cb 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2otl h ALA 99 CO -0.02 0.61 -0.03 -0.07 0.00 0.00 0.00 179.25 179.74 2otl h LEU 100 N 0.95 -0.07 -1.32 0.00 3.38 -0.90 0.08 115.31 117.42 2otl h LEU 100 Ca 0.20 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2otl h LEU 100 Cb 0.33 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2otl h LEU 100 CO -0.00 0.15 0.36 -0.07 0.09 0.00 0.00 178.44 178.96 2otl h LEU 101 N -0.30 0.72 -0.60 1.67 3.38 -1.23 -0.38 115.31 118.57 2otl h LEU 101 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2otl h LEU 101 Cb 0.26 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2otl h LEU 101 CO 0.01 0.56 0.00 -1.54 0.09 0.00 0.00 178.44 177.56 2otl n SER 102 N -4.41 0.91 -3.75 -0.43 3.41 -0.76 -4.27 113.62 104.33 2otl n SER 102 Ca 0.06 -1.46 -0.23 0.00 -0.26 0.00 0.00 58.87 56.98 2otl n SER 102 Cb 0.08 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.02 2otl n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2otl n GLU 103 N -0.23 -5.09 0.02 4.33 1.02 -0.15 -4.91 120.64 115.63 2otl n GLU 103 Ca 0.18 0.62 0.09 0.00 -0.02 0.00 0.00 57.16 58.03 2otl n GLU 103 Cb 0.23 -5.25 -0.12 0.00 -0.02 0.00 0.00 31.44 26.28 2otl n GLU 103 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2otl n GLU 104 N -4.38 0.64 -2.48 3.49 4.07 -0.07 -5.02 120.64 116.90 2otl n GLU 104 Ca -0.22 -0.08 -0.05 0.00 -0.06 0.00 0.00 57.16 56.75 2otl n GLU 104 Cb 0.64 -1.62 -0.00 0.00 -0.06 0.00 0.00 31.44 30.40 2otl n GLU 104 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2otl n THR 105 N -2.44 0.00 -4.22 6.31 5.66 -1.25 -5.06 114.28 113.29 2otl n THR 105 Ca -0.05 -0.64 -0.13 0.00 -3.05 0.00 0.00 64.05 60.18 2otl n THR 105 Cb 0.61 0.48 -0.10 0.00 -1.55 0.00 0.00 70.33 69.78 2otl n THR 105 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2otl s THR 106 N -2.60 0.19 0.38 1.09 -4.23 -1.26 -4.62 115.64 104.60 2otl s THR 106 Ca 0.10 -1.98 0.08 0.00 -1.18 0.00 0.00 61.69 58.71 2otl s THR 106 Cb -0.01 -2.41 0.18 0.00 1.34 0.00 0.00 72.50 71.60 2otl s THR 106 CO 0.08 -0.13 1.94 -0.07 -0.54 0.00 0.00 174.62 175.89 2otl h LEU 107 N 2.62 0.34 -0.09 4.79 3.38 -1.90 -2.76 115.31 121.69 2otl h LEU 107 Ca -0.36 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 2otl h LEU 107 Cb 1.24 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2otl h LEU 107 CO 0.57 0.41 -0.09 0.03 0.09 0.00 0.00 178.44 179.45 2otl h ARG 108 N 0.36 0.22 -0.24 1.13 3.08 -1.86 0.28 114.38 117.35 2otl h ARG 108 Ca 0.08 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 60.08 2otl h ARG 108 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2otl h ARG 108 CO 0.01 0.65 0.31 0.93 -1.07 0.00 0.00 179.97 180.80 2otl h GLU 109 N -0.19 0.00 -0.65 0.04 5.08 -1.81 0.55 114.58 117.59 2otl h GLU 109 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2otl h GLU 109 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2otl h GLU 109 CO 0.02 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.07 2otl n GLN 110 N -3.60 3.21 -1.43 2.33 1.13 -1.09 -4.94 117.38 112.99 2otl n GLN 110 Ca 0.03 -2.73 -0.06 0.00 -1.94 0.00 0.00 57.00 52.31 2otl n GLN 110 Cb 0.44 -1.70 -0.02 0.00 0.11 0.00 0.00 30.24 29.08 2otl n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2otl n GLY 111 N 1.26 0.62 3.66 1.08 0.00 0.19 -4.66 105.19 107.33 2otl n GLY 111 Ca 0.24 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 2otl n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2otl s LEU 112 N -1.36 3.35 0.43 0.99 1.43 0.97 -1.21 118.68 123.27 2otl s LEU 112 Ca 0.00 -0.22 -0.26 0.00 -1.03 0.00 0.00 54.13 52.62 2otl s LEU 112 Cb 0.00 -2.08 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 2otl s LEU 112 CO 0.00 0.19 1.39 -0.55 0.23 0.00 0.00 176.35 177.61 2otl s SER 113 N -2.20 6.09 0.00 2.29 0.15 0.02 -3.40 113.70 116.64 2otl s SER 113 Ca 0.24 2.84 0.17 0.00 0.70 0.00 0.00 55.95 59.90 2otl s SER 113 Cb -0.11 -2.65 0.86 0.00 -1.71 0.00 0.00 66.02 62.41 2otl s SER 113 CO 0.16 -1.02 1.47 -2.65 1.20 0.00 0.00 173.24 172.40 2otl n PRO 114 N 0.00 0.29 -5.04 5.44 -0.02 -1.26 -4.72 135.00 129.69 2otl n PRO 114 Ca 0.04 0.11 -0.32 0.00 -2.02 0.00 0.00 63.50 61.31 2otl n PRO 114 Cb 0.42 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.25 2otl n PRO 114 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2otl s THR 115 N -2.47 2.54 -0.47 3.45 2.01 -1.26 -4.39 115.64 115.05 2otl s THR 115 Ca 0.17 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.18 2otl s THR 115 Cb 0.11 -2.00 0.10 0.00 0.01 0.00 0.00 72.50 70.72 2otl s THR 115 CO 0.24 0.56 0.36 -0.76 -0.69 0.00 0.00 174.62 174.33 2otl s LEU 116 N 0.02 5.62 -0.72 4.42 1.43 0.74 -4.67 118.68 125.52 2otl s LEU 116 Ca -0.07 -1.62 -0.27 0.00 -1.03 0.00 0.00 54.13 51.15 2otl s LEU 116 Cb -0.15 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.01 2otl s LEU 116 CO 0.05 -0.67 1.28 -0.13 0.23 0.00 0.00 176.35 177.11 2otl s ARG 117 N 1.50 3.22 0.94 1.70 0.52 -1.26 -0.21 118.95 125.36 2otl s ARG 117 Ca 0.04 -0.18 -0.15 0.00 -0.52 0.00 0.00 55.73 54.92 2otl s ARG 117 Cb -0.26 -4.17 0.18 0.00 0.52 0.00 0.00 34.95 31.23 2otl s ARG 117 CO 0.03 -2.11 1.30 -0.51 0.02 0.00 0.00 175.30 174.02 2otl s LEU 118 N 5.71 2.65 0.15 2.53 1.43 -1.01 -4.90 118.68 125.23 2otl s LEU 118 Ca 0.36 0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.87 2otl s LEU 118 Cb -0.08 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2otl s LEU 118 CO 0.16 -2.62 0.13 -2.28 0.23 0.00 0.00 176.35 171.97 2otl s HIS 119 N -3.83 3.17 0.35 0.29 5.65 -0.68 -4.86 115.29 115.37 2otl s HIS 119 Ca 0.72 0.01 -0.28 0.00 0.25 0.00 0.00 55.06 55.75 2otl s HIS 119 Cb -0.05 -1.54 -0.12 0.00 -1.18 0.00 0.00 32.58 29.69 2otl s HIS 119 CO 0.52 0.52 1.41 -2.30 -0.65 0.00 0.00 174.74 174.25 2otl n PRO 120 N -0.20 2.41 -1.65 2.88 -0.02 -1.26 -4.43 135.00 132.73 2otl n PRO 120 Ca -0.08 0.85 -0.51 0.00 -2.02 0.00 0.00 63.50 61.74 2otl n PRO 120 Cb 0.54 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 2otl n PRO 120 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2otl n PRO 121 N 0.75 1.75 -2.11 0.52 -0.04 -1.26 -4.63 135.00 129.97 2otl n PRO 121 Ca 0.04 0.62 -0.42 0.00 -0.04 0.00 0.00 63.50 63.70 2otl n PRO 121 Cb 0.37 -2.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 2otl n PRO 121 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2otl s ARG 122 N 4.38 4.25 0.00 0.54 0.52 0.07 -0.54 118.95 128.18 2otl s ARG 122 Ca 0.97 2.10 0.00 0.00 -0.52 0.00 0.00 55.73 58.29 2otl s ARG 122 Cb -0.80 -3.57 0.00 0.00 0.52 0.00 0.00 34.95 31.10 2otl s ARG 122 CO 0.54 -0.63 0.00 0.41 0.02 0.00 0.00 175.30 175.64 2otl n GLY 123 N 3.77 0.85 0.44 -3.53 0.00 -1.26 -4.89 105.19 100.57 2otl n GLY 123 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 2otl n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otl n GLY 124 N -2.00 -2.30 2.97 -0.02 0.00 0.30 -5.01 105.19 99.12 2otl n GLY 124 Ca 0.00 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.50 2otl n GLY 124 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2otl n HIS 125 N -2.99 -2.49 1.76 1.61 1.44 -1.26 -4.92 115.22 108.37 2otl n HIS 125 Ca -0.02 -1.60 0.05 0.00 -2.01 0.00 0.00 57.72 54.14 2otl n HIS 125 Cb 0.21 -0.43 0.23 0.00 0.12 0.00 0.00 29.99 30.12 2otl n HIS 125 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2otl n ASP 126 N -2.51 0.44 0.00 4.39 8.00 -1.26 -4.99 116.55 120.61 2otl n ASP 126 Ca 0.13 -1.80 0.00 0.00 0.71 0.00 0.00 54.79 53.83 2otl n ASP 126 Cb 0.46 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 2otl n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2otl n GLY 127 N 0.73 2.43 1.68 0.44 0.00 -1.26 -4.12 105.19 105.09 2otl n GLY 127 Ca 0.08 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 2otl n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2otl n VAL 128 N 1.50 2.83 0.15 1.61 0.24 -1.26 -1.38 118.33 122.02 2otl n VAL 128 Ca 0.00 -2.13 0.02 0.00 -2.04 0.00 0.00 64.34 60.19 2otl n VAL 128 Cb 0.00 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.00 2otl n VAL 128 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2otl n LYS 129 N -0.83 1.89 -3.87 7.34 5.02 -1.26 -5.00 118.16 121.45 2otl n LYS 129 Ca 0.42 -0.45 -0.11 0.00 -2.02 0.00 0.00 58.31 56.16 2otl n LYS 129 Cb 1.31 -0.91 -0.10 0.00 -0.02 0.00 0.00 35.03 35.31 2otl n LYS 129 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2otl s HIS 130 N -0.67 0.03 1.04 2.13 3.76 -1.26 -5.07 115.29 115.25 2otl s HIS 130 Ca 0.03 -0.11 -0.17 0.00 -0.15 0.00 0.00 55.06 54.67 2otl s HIS 130 Cb 0.03 -0.05 0.22 0.00 1.11 0.00 0.00 32.58 33.90 2otl s HIS 130 CO 0.08 -0.26 1.24 -1.25 -0.85 0.00 0.00 174.74 173.70 2otl s PRO 131 N -1.26 0.07 0.25 8.40 0.04 -1.26 -2.30 135.00 138.95 2otl s PRO 131 Ca -0.13 -0.27 -0.04 0.00 0.04 0.00 0.00 61.00 60.59 2otl s PRO 131 Cb -0.07 -1.77 0.29 0.00 0.04 0.00 0.00 34.50 32.99 2otl s PRO 131 CO 0.01 -2.82 1.82 0.28 0.04 0.00 0.00 177.00 176.33 2otl h VAL 132 N -1.93 1.24 0.00 -0.36 2.07 -1.34 0.47 116.25 116.40 2otl h VAL 132 Ca -0.45 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2otl h VAL 132 Cb 1.26 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2otl h VAL 132 CO 0.38 0.31 0.00 0.11 0.02 0.00 0.00 177.57 178.39 2otl h LYS 133 N 1.01 0.00 -0.45 1.57 1.57 -1.87 -2.23 116.57 116.17 2otl h LYS 133 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2otl h LYS 133 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2otl h LYS 133 CO -0.02 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.25 2otl n GLU 134 N -2.47 3.07 -0.48 3.15 1.02 -0.93 -4.94 120.64 119.06 2otl n GLU 134 Ca 0.01 -2.48 0.00 0.00 -0.02 0.00 0.00 57.16 54.67 2otl n GLU 134 Cb 0.19 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2otl n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2otl n GLY 135 N 0.61 0.74 0.12 0.62 0.00 -0.84 -4.86 105.19 101.58 2otl n GLY 135 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 2otl n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otl n GLY 136 N -2.01 0.15 0.28 -0.02 0.00 0.16 -4.73 105.19 99.03 2otl n GLY 136 Ca 0.00 -1.87 0.03 0.00 0.00 0.00 0.00 46.02 44.18 2otl n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2otl n GLN 137 N -1.07 1.80 -3.07 1.61 -0.06 -0.48 -3.70 117.38 112.41 2otl n GLN 137 Ca 0.01 -1.43 -0.27 0.00 -2.00 0.00 0.00 57.00 53.30 2otl n GLN 137 Cb 0.02 -1.12 -0.02 0.00 -4.06 0.00 0.00 30.24 25.06 2otl n GLN 137 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2otl s LEU 138 N -0.80 3.89 0.00 1.69 1.43 -1.03 -4.57 118.68 119.28 2otl s LEU 138 Ca 0.10 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 2otl s LEU 138 Cb 0.05 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.62 2otl s LEU 138 CO 0.07 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 176.90 2otl n GLY 139 N -1.59 -1.77 3.77 -3.19 0.00 -0.36 -1.49 105.19 100.56 2otl n GLY 139 Ca -0.01 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 2otl n GLY 139 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2otl s LYS 140 N 0.00 4.30 0.44 1.61 2.20 -1.26 -2.71 119.74 124.31 2otl s LYS 140 Ca 0.00 2.18 0.04 0.00 -0.36 0.00 0.00 55.97 57.83 2otl s LYS 140 Cb 0.00 -3.01 -0.05 0.00 -1.51 0.00 0.00 37.83 33.26 2otl s LYS 140 CO 0.00 -0.22 0.02 -1.01 -0.36 0.00 0.00 175.35 173.78 2otl s HIS 141 N -1.17 2.13 0.64 4.03 3.76 0.78 -4.68 115.29 120.77 2otl s HIS 141 Ca 0.50 -0.88 -0.06 0.00 -0.15 0.00 0.00 55.06 54.47 2otl s HIS 141 Cb -0.39 -1.59 0.03 0.00 1.11 0.00 0.00 32.58 31.74 2otl s HIS 141 CO 0.51 0.24 0.95 0.34 -0.85 0.00 0.00 174.74 175.93 2otl s ASP 142 N -3.74 5.26 0.26 1.40 -1.08 -1.26 -4.65 116.67 112.85 2otl s ASP 142 Ca 0.23 0.60 0.00 0.00 -0.52 0.00 0.00 52.55 52.86 2otl s ASP 142 Cb 0.06 -1.44 0.33 0.00 -1.46 0.00 0.00 42.92 40.41 2otl s ASP 142 CO 0.12 -1.29 1.69 0.74 0.52 0.00 0.00 175.17 176.94 2otl h THR 143 N -0.36 1.27 -0.00 1.71 2.02 -1.98 0.20 112.91 115.77 2otl h THR 143 Ca -0.45 -1.28 -0.15 0.00 0.77 0.00 0.00 66.41 65.30 2otl h THR 143 Cb 1.28 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 2otl h THR 143 CO 0.60 0.42 -0.71 -0.08 0.37 0.00 0.00 175.52 176.12 2otl h GLU 144 N 0.52 0.01 -0.07 6.66 4.81 -1.94 -2.08 114.58 122.49 2otl h GLU 144 Ca 0.08 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2otl h GLU 144 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2otl h GLU 144 CO 0.05 0.71 -0.14 0.78 -0.73 0.00 0.00 179.01 179.68 2otl h GLY 145 N 2.11 0.24 1.06 1.92 0.00 -1.73 -2.56 103.07 104.10 2otl h GLY 145 Ca -0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 2otl h GLY 145 CO 0.09 0.25 0.21 -2.22 0.00 0.00 0.00 176.54 174.87 2otl h ILE 146 N -0.28 1.26 -0.57 2.60 1.08 -0.64 -2.87 117.51 118.10 2otl h ILE 146 Ca 0.00 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 2otl h ILE 146 Cb 0.73 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 2otl h ILE 146 CO 0.03 0.37 0.37 0.44 -0.69 0.00 0.00 178.15 178.67 2otl h ASP 147 N 1.10 0.66 -0.68 1.72 3.32 -1.41 0.43 116.42 121.55 2otl h ASP 147 Ca 0.23 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2otl h ASP 147 Cb 0.34 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 2otl h ASP 147 CO -0.00 0.49 0.44 0.44 -1.72 0.00 0.00 179.24 178.89 2otl h ASP 148 N 0.77 0.80 0.10 6.45 5.19 -1.29 0.40 116.42 128.84 2otl h ASP 148 Ca 0.21 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 2otl h ASP 148 Cb -0.07 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.24 2otl h ASP 148 CO -0.04 0.59 -0.05 0.25 -3.12 0.00 0.00 179.24 176.87 2otl h LEU 149 N 0.94 -0.12 -0.93 1.55 5.85 -1.15 -1.97 115.31 119.47 2otl h LEU 149 Ca 0.25 -0.46 0.06 0.00 0.84 0.00 0.00 57.88 58.57 2otl h LEU 149 Cb -0.08 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 2otl h LEU 149 CO -0.05 0.49 0.60 -0.07 -0.34 0.00 0.00 178.44 179.07 2otl h LEU 150 N -0.83 0.95 -0.65 2.25 3.38 0.08 -0.91 115.31 119.58 2otl h LEU 150 Ca -0.01 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2otl h LEU 150 Cb 0.57 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2otl h LEU 150 CO 0.02 0.62 -0.63 -0.33 0.09 0.00 0.00 178.44 178.21 2otl h GLU 151 N 1.09 0.17 0.00 1.13 5.08 -0.29 0.28 114.58 122.05 2otl h GLU 151 Ca 0.40 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 2otl h GLU 151 Cb 0.14 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2otl h GLU 151 CO -0.17 0.74 -0.33 0.00 -1.00 0.00 0.00 179.01 178.26 2otl h ALA 152 N 1.23 1.03 -0.02 3.43 0.00 -0.51 -2.50 119.26 121.90 2otl h ALA 152 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2otl h ALA 152 Cb 1.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2otl h ALA 152 CO 0.09 0.41 -0.17 -1.33 0.00 0.00 0.00 179.25 178.26 2otl n MET 153 N -3.53 1.82 0.00 0.00 2.81 -0.43 -0.75 117.12 117.04 2otl n MET 153 Ca -0.00 -1.51 0.00 0.00 -1.81 0.00 0.00 57.70 54.38 2otl n MET 153 Cb 0.48 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 2otl n MET 153 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35