#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5j n LEU 2 N 0.00 0.69 0.00 -0.89 -0.00 -1.26 -4.44 117.00 111.10 2o5j n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2o5j n LEU 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2o5j n LEU 2 CO 0.00 -0.02 0.00 -0.67 -0.00 0.00 0.00 177.39 176.70 2o5j n ASP 3 N -2.36 0.00 0.05 1.45 2.03 -1.26 -4.35 116.55 112.11 2o5j n ASP 3 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2o5j n ASP 3 Cb 0.24 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.53 2o5j n ASP 3 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2o5j h SER 4 N 0.00 0.00 0.29 1.67 0.87 -1.98 -3.11 113.55 111.29 2o5j h SER 4 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 2o5j h SER 4 Cb 0.00 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2o5j h SER 4 CO 0.00 0.89 -1.60 0.50 -0.53 0.00 0.00 176.83 176.10 2o5j h LYS 5 N 0.00 0.42 -0.93 2.24 1.63 -1.95 -3.29 116.57 114.68 2o5j h LYS 5 Ca -0.10 -0.71 0.01 0.00 -0.85 0.00 0.00 60.65 59.00 2o5j h LYS 5 Cb 1.76 0.26 -0.05 0.00 -0.60 0.00 0.00 32.23 33.61 2o5j h LYS 5 CO 0.10 1.32 0.61 1.25 -3.45 0.00 0.00 179.45 179.29 2o5j h LEU 6 N 0.11 1.08 -6.48 5.20 5.85 -1.76 -3.03 115.31 116.29 2o5j h LEU 6 Ca -0.29 -0.03 -0.62 0.00 0.84 0.00 0.00 57.88 57.78 2o5j h LEU 6 Cb 2.11 -0.27 0.06 0.00 0.37 0.00 0.00 40.66 42.93 2o5j h LEU 6 CO 0.21 0.79 2.17 1.17 -0.34 0.00 0.00 178.44 182.44 2o5j n LYS 7 N -4.39 1.31 -4.37 1.25 0.00 -1.18 -4.84 118.16 105.94 2o5j n LYS 7 Ca 0.11 -1.69 -0.25 0.00 0.00 0.00 0.00 58.31 56.48 2o5j n LYS 7 Cb 0.02 -2.82 -0.09 0.00 0.00 0.00 0.00 35.03 32.14 2o5j n LYS 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2o5j s ALA 8 N 5.19 2.90 -0.45 3.14 0.00 -1.15 -4.91 121.76 126.48 2o5j s ALA 8 Ca 0.57 -1.69 -0.33 0.00 0.00 0.00 0.00 51.96 50.51 2o5j s ALA 8 Cb 0.14 -0.54 -0.12 0.00 0.00 0.00 0.00 23.12 22.60 2o5j s ALA 8 CO 0.14 0.33 2.29 -2.30 0.00 0.00 0.00 175.76 176.22 2o5j n PRO 9 N -0.47 0.92 -2.35 0.00 -0.02 -1.26 -4.54 135.00 127.28 2o5j n PRO 9 Ca -0.08 0.21 -0.39 0.00 -2.02 0.00 0.00 63.50 61.22 2o5j n PRO 9 Cb 0.58 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 2o5j n PRO 9 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2o5j s VAL 10 N 8.28 3.61 -0.42 -1.45 1.01 -0.24 -4.80 120.40 126.38 2o5j s VAL 10 Ca 1.11 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.96 2o5j s VAL 10 Cb -0.81 -4.56 0.02 0.00 0.00 0.00 0.00 36.38 31.03 2o5j s VAL 10 CO 0.46 -1.51 1.26 0.12 0.00 0.00 0.00 175.10 175.43 2o5j s PHE 11 N 7.02 2.66 -0.08 5.22 5.36 -1.26 -3.86 117.98 133.02 2o5j s PHE 11 Ca 0.49 0.75 -0.00 0.00 -0.96 0.00 0.00 56.93 57.20 2o5j s PHE 11 Cb -0.08 -4.28 -0.03 0.00 -0.34 0.00 0.00 43.02 38.28 2o5j s PHE 11 CO 0.13 -1.57 -0.05 0.95 -1.46 0.00 0.00 175.22 173.22 2o5j s THR 12 N 4.79 3.85 0.02 0.12 -4.23 0.12 -5.00 115.64 115.30 2o5j s THR 12 Ca 0.54 -0.42 0.06 0.00 -1.18 0.00 0.00 61.69 60.70 2o5j s THR 12 Cb -0.11 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 2o5j s THR 12 CO 0.30 0.59 -0.19 -0.69 -0.54 0.00 0.00 174.62 174.09 2o5j s VAL 13 N -0.66 1.51 -0.32 2.29 1.01 -1.26 -1.34 120.40 121.63 2o5j s VAL 13 Ca 0.10 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 2o5j s VAL 13 Cb -0.12 -1.30 0.13 0.00 0.00 0.00 0.00 36.38 35.09 2o5j s VAL 13 CO 0.02 0.24 0.22 -0.13 0.00 0.00 0.00 175.10 175.46 2o5j s ARG 14 N -0.92 0.39 -0.08 2.72 0.52 -1.02 -5.05 118.95 115.51 2o5j s ARG 14 Ca 0.06 -0.72 0.03 0.00 -0.52 0.00 0.00 55.73 54.58 2o5j s ARG 14 Cb -0.08 -1.02 0.01 0.00 0.52 0.00 0.00 34.95 34.38 2o5j s ARG 14 CO 0.01 -1.10 -0.15 -0.08 0.02 0.00 0.00 175.30 173.99 2o5j s THR 15 N 1.76 1.39 -0.19 0.02 -1.32 -1.26 -0.95 115.64 115.09 2o5j s THR 15 Ca 0.13 -0.62 -0.00 0.00 -1.21 0.00 0.00 61.69 59.99 2o5j s THR 15 Cb -0.17 -1.25 0.01 0.00 -1.51 0.00 0.00 72.50 69.58 2o5j s THR 15 CO -0.20 0.41 -0.16 -1.10 -2.21 0.00 0.00 174.62 171.36 2o5j s GLN 16 N 0.65 3.08 2.23 7.08 -1.52 -1.09 -5.01 119.66 125.08 2o5j s GLN 16 Ca -0.14 -0.78 0.00 0.00 -1.95 0.00 0.00 55.36 52.48 2o5j s GLN 16 Cb -0.16 -2.67 0.00 0.00 -0.22 0.00 0.00 33.01 29.96 2o5j s GLN 16 CO 0.04 -0.21 0.00 0.41 -0.25 0.00 0.00 175.29 175.28 2o5j n GLY 17 N 4.66 -0.84 0.55 3.09 0.00 -1.26 -3.43 105.19 107.96 2o5j n GLY 17 Ca -0.20 -1.18 0.06 0.00 0.00 0.00 0.00 46.02 44.69 2o5j n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o5j n ARG 18 N -0.03 1.87 -0.12 1.61 1.74 -1.26 -4.67 116.66 115.80 2o5j n ARG 18 Ca 0.00 -1.67 -0.22 0.00 -0.77 0.00 0.00 57.85 55.19 2o5j n ARG 18 Cb 0.00 -1.24 -0.08 0.00 -1.02 0.00 0.00 32.46 30.11 2o5j n ARG 18 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2o5j n GLU 19 N 0.56 0.56 -4.19 5.56 4.71 -1.26 -3.94 120.64 122.65 2o5j n GLU 19 Ca 0.09 0.33 -0.33 0.00 -0.01 0.00 0.00 57.16 57.24 2o5j n GLU 19 Cb 0.36 -1.54 -0.08 0.00 -1.01 0.00 0.00 31.44 29.17 2o5j n GLU 19 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 2o5j s TYR 20 N -2.55 3.21 -0.30 -0.32 6.04 -1.22 0.51 117.35 122.72 2o5j s TYR 20 Ca -0.33 0.17 -0.01 0.00 0.04 0.00 0.00 57.07 56.94 2o5j s TYR 20 Cb 0.10 -1.72 0.19 0.00 -1.04 0.00 0.00 41.96 39.49 2o5j s TYR 20 CO 0.48 0.52 0.63 0.20 -1.54 0.00 0.00 175.55 175.83 2o5j s GLY 21 N -1.57 -0.99 0.20 8.97 0.00 -0.79 -2.67 107.32 110.47 2o5j s GLY 21 Ca 0.20 1.81 -0.14 0.00 0.00 0.00 0.00 44.72 46.60 2o5j s GLY 21 CO 0.11 3.45 0.60 -0.54 0.00 0.00 0.00 173.10 176.72 2o5j s GLU 22 N 2.86 3.98 -0.20 2.90 2.02 -0.12 -1.68 118.70 128.46 2o5j s GLU 22 Ca 0.18 0.53 -0.04 0.00 0.02 0.00 0.00 54.97 55.66 2o5j s GLU 22 Cb -0.14 -2.78 0.08 0.00 0.10 0.00 0.00 34.13 31.39 2o5j s GLU 22 CO -0.21 0.38 0.15 -0.06 0.02 0.00 0.00 175.26 175.54 2o5j s PHE 23 N -1.64 0.02 -0.05 1.61 0.08 -0.98 -2.42 117.98 114.59 2o5j s PHE 23 Ca 0.43 -0.20 -0.04 0.00 0.12 0.00 0.00 56.93 57.25 2o5j s PHE 23 Cb -0.14 -0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 41.68 2o5j s PHE 23 CO 0.20 -0.60 0.13 0.08 -0.10 0.00 0.00 175.22 174.92 2o5j s VAL 24 N 2.21 5.21 -0.24 -0.44 1.01 -0.45 -1.56 120.40 126.14 2o5j s VAL 24 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 2o5j s VAL 24 Cb -0.16 -3.35 0.13 0.00 0.00 0.00 0.00 36.38 33.00 2o5j s VAL 24 CO -0.15 0.45 0.39 -0.22 0.00 0.00 0.00 175.10 175.58 2o5j s LEU 25 N -1.50 -0.66 0.15 3.92 0.20 0.15 -0.71 118.68 120.24 2o5j s LEU 25 Ca 0.21 0.37 -0.18 0.00 0.69 0.00 0.00 54.13 55.22 2o5j s LEU 25 Cb -0.12 1.19 0.04 0.00 -0.43 0.00 0.00 46.19 46.87 2o5j s LEU 25 CO 0.11 -0.29 0.49 -1.83 -0.29 0.00 0.00 176.35 174.55 2o5j s GLU 26 N 2.57 1.21 0.57 1.98 1.03 -1.25 -2.52 118.70 122.29 2o5j s GLU 26 Ca 0.11 -0.68 -0.08 0.00 0.03 0.00 0.00 54.97 54.34 2o5j s GLU 26 Cb -0.15 0.52 -0.03 0.00 -0.80 0.00 0.00 34.13 33.67 2o5j s GLU 26 CO -0.15 -0.50 0.93 -2.14 -1.33 0.00 0.00 175.26 172.07 2o5j s PRO 27 N -3.81 3.47 0.06 -4.83 0.02 -1.26 -1.08 135.00 127.56 2o5j s PRO 27 Ca 0.04 0.46 0.06 0.00 0.02 0.00 0.00 61.00 61.58 2o5j s PRO 27 Cb 0.00 -2.20 -0.03 0.00 0.02 0.00 0.00 34.50 32.30 2o5j s PRO 27 CO -0.10 -0.48 -0.17 -0.51 -0.33 0.00 0.00 177.00 175.41 2o5j s LEU 28 N -5.02 2.21 0.00 -5.54 1.43 -0.55 -4.36 118.68 106.85 2o5j s LEU 28 Ca 0.52 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2o5j s LEU 28 Cb -0.11 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.38 2o5j s LEU 28 CO 0.50 0.06 0.00 -0.62 0.23 0.00 0.00 176.35 176.51 2o5j n GLU 29 N 1.66 2.78 -3.06 1.70 -0.58 -1.26 -2.24 120.64 119.64 2o5j n GLU 29 Ca -0.18 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.15 2o5j n GLU 29 Cb 0.54 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.36 2o5j n GLU 29 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2o5j s ARG 30 N 0.00 4.29 -1.45 3.49 6.06 -1.26 -3.16 118.95 126.92 2o5j s ARG 30 Ca 0.00 0.75 -0.08 0.00 -2.50 0.00 0.00 55.73 53.91 2o5j s ARG 30 Cb 0.00 -3.54 0.04 0.00 0.06 0.00 0.00 34.95 31.51 2o5j s ARG 30 CO 0.00 -0.16 0.67 0.41 -2.50 0.00 0.00 175.30 173.72 2o5j n GLY 31 N 3.52 -0.51 0.08 8.12 0.00 -1.26 -4.89 105.19 110.26 2o5j n GLY 31 Ca -0.00 0.14 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 2o5j n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2o5j n PHE 32 N -4.40 0.36 -0.31 1.61 3.01 -1.26 -3.60 117.46 112.87 2o5j n PHE 32 Ca -0.05 0.12 0.05 0.00 1.01 0.00 0.00 57.45 58.58 2o5j n PHE 32 Cb 0.58 -0.97 0.25 0.00 -0.01 0.00 0.00 39.48 39.32 2o5j n PHE 32 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2o5j h GLY 33 N 3.86 1.35 1.45 1.37 0.00 -1.90 -0.01 103.07 109.19 2o5j h GLY 33 Ca -0.35 -0.41 -0.22 0.00 0.00 0.00 0.00 47.33 46.35 2o5j h GLY 33 CO 0.04 0.28 -0.87 -2.08 0.00 0.00 0.00 176.54 173.90 2o5j h VAL 34 N 1.01 1.36 0.00 4.60 2.07 -1.97 -0.41 116.25 122.90 2o5j h VAL 34 Ca 0.40 -2.25 -0.03 0.00 0.82 0.00 0.00 66.70 65.64 2o5j h VAL 34 Cb 0.25 2.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 2o5j h VAL 34 CO -0.16 0.68 -0.17 0.74 0.02 0.00 0.00 177.57 178.69 2o5j h THR 35 N 0.32 1.09 0.01 2.57 2.02 -1.33 -2.54 112.91 115.06 2o5j h THR 35 Ca -0.07 -0.57 -0.37 0.00 0.77 0.00 0.00 66.41 66.17 2o5j h THR 35 Cb 1.49 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 69.16 2o5j h THR 35 CO 0.16 0.16 -2.03 0.18 0.37 0.00 0.00 175.52 174.36 2o5j n LEU 36 N -4.30 2.07 -0.06 2.58 4.77 -0.12 -4.37 117.00 117.57 2o5j n LEU 36 Ca -0.02 0.31 -0.07 0.00 -0.03 0.00 0.00 56.01 56.20 2o5j n LEU 36 Cb 0.23 -0.91 -0.01 0.00 -2.33 0.00 0.00 43.42 40.40 2o5j n LEU 36 CO 0.36 0.52 0.80 1.23 -1.33 0.00 0.00 177.39 178.97 2o5j h GLY 37 N -0.55 0.15 0.71 -0.72 0.00 -1.07 -2.37 103.07 99.22 2o5j h GLY 37 Ca -0.54 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2o5j h GLY 37 CO -0.28 -0.12 -0.35 -0.57 0.00 0.00 0.00 176.54 175.22 2o5j h ASN 38 N -0.04 -0.93 -0.38 0.19 -0.00 -1.68 -0.74 115.58 112.01 2o5j h ASN 38 Ca 0.13 0.07 0.06 0.00 -0.00 0.00 0.00 56.30 56.57 2o5j h ASN 38 Cb 0.24 0.30 -0.06 0.00 -0.00 0.00 0.00 38.32 38.80 2o5j h ASN 38 CO -0.29 -0.51 0.03 -0.65 -0.00 0.00 0.00 177.43 176.00 2o5j h PRO 39 N -0.78 0.13 -0.72 6.67 0.11 -1.74 0.52 132.00 136.19 2o5j h PRO 39 Ca -0.04 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.18 2o5j h PRO 39 Cb 0.68 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.71 2o5j h PRO 39 CO -0.02 0.09 0.48 -0.07 -0.21 0.00 0.00 178.00 178.27 2o5j h LEU 40 N 0.14 0.46 0.06 2.35 3.38 -1.29 -1.18 115.31 119.22 2o5j h LEU 40 Ca 0.18 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2o5j h LEU 40 Cb 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2o5j h LEU 40 CO -0.28 0.26 -0.03 -0.09 0.09 0.00 0.00 178.44 178.39 2o5j h ARG 41 N 0.50 -0.08 -0.04 1.13 2.43 0.60 -0.70 114.38 118.22 2o5j h ARG 41 Ca 0.34 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.53 2o5j h ARG 41 Cb 0.65 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2o5j h ARG 41 CO -0.12 0.23 0.03 0.00 -1.51 0.00 0.00 179.97 178.60 2o5j h ARG 42 N -0.39 0.00 0.05 0.20 3.08 -0.32 -2.31 114.38 114.69 2o5j h ARG 42 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2o5j h ARG 42 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2o5j h ARG 42 CO 0.01 0.00 -0.02 0.82 -1.07 0.00 0.00 179.97 179.71 2o5j h ILE 43 N 0.00 1.10 -0.20 2.04 1.08 -1.15 -3.09 117.51 117.30 2o5j h ILE 43 Ca 0.02 -1.62 0.06 0.00 -0.39 0.00 0.00 64.86 62.92 2o5j h ILE 43 Cb 0.08 2.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.83 2o5j h ILE 43 CO -0.00 0.34 0.41 -0.07 -0.69 0.00 0.00 178.15 178.14 2o5j h LEU 44 N -0.93 0.00 0.01 1.44 3.38 -0.74 0.65 115.31 119.12 2o5j h LEU 44 Ca -0.01 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.55 2o5j h LEU 44 Cb 0.61 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 2o5j h LEU 44 CO 0.01 0.00 -2.43 0.18 0.09 0.00 0.00 178.44 176.29 2o5j n LEU 45 N -3.26 2.55 -0.10 1.67 4.77 -0.90 -4.60 117.00 117.12 2o5j n LEU 45 Ca 0.03 0.08 -0.18 0.00 -0.03 0.00 0.00 56.01 55.90 2o5j n LEU 45 Cb 0.51 -0.89 -0.13 0.00 -2.33 0.00 0.00 43.42 40.59 2o5j n LEU 45 CO 0.20 0.78 -1.24 -0.24 -1.33 0.00 0.00 177.39 175.56 2o5j n SER 46 N -3.68 1.91 0.17 -1.43 2.88 -0.98 -4.61 113.62 107.88 2o5j n SER 46 Ca -0.48 -0.07 -0.08 0.00 -1.33 0.00 0.00 58.87 56.92 2o5j n SER 46 Cb 0.95 -0.43 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 2o5j n SER 46 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2o5j h SER 47 N 0.01 -0.51 -0.17 -3.46 0.87 0.13 -3.28 113.55 107.15 2o5j h SER 47 Ca -0.55 0.03 -0.29 0.00 -1.23 0.00 0.00 61.79 59.75 2o5j h SER 47 Cb 1.94 0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 63.97 2o5j h SER 47 CO -0.05 -0.30 1.49 -0.38 -0.53 0.00 0.00 176.83 177.05 2o5j n ILE 48 N -3.51 -0.00 -0.75 2.23 5.41 -1.19 -4.87 119.36 116.67 2o5j n ILE 48 Ca -0.06 -0.45 -0.32 0.00 1.00 0.00 0.00 62.75 62.92 2o5j n ILE 48 Cb 0.20 -0.70 0.14 0.00 -0.71 0.00 0.00 39.64 38.57 2o5j n ILE 48 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2o5j n PRO 49 N 6.87 -0.36 0.00 0.38 -0.02 -1.26 -4.44 135.00 136.17 2o5j n PRO 49 Ca 0.61 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2o5j n PRO 49 Cb 0.22 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2o5j n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o5j n GLY 50 N 0.97 3.39 2.81 -1.23 0.00 -0.70 -4.72 105.19 105.71 2o5j n GLY 50 Ca 0.09 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 2o5j n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2o5j s THR 51 N -1.04 -0.04 0.05 2.61 -4.23 -1.24 -2.84 115.64 108.92 2o5j s THR 51 Ca 0.00 0.15 -0.10 0.00 -1.18 0.00 0.00 61.69 60.56 2o5j s THR 51 Cb 0.00 -0.07 0.01 0.00 1.34 0.00 0.00 72.50 73.78 2o5j s THR 51 CO 0.00 0.06 0.22 0.00 -0.54 0.00 0.00 174.62 174.36 2o5j s ALA 52 N 0.77 -0.41 -0.25 3.99 0.00 -1.16 -4.63 121.76 120.07 2o5j s ALA 52 Ca -0.06 -0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.32 2o5j s ALA 52 Cb -0.09 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 2o5j s ALA 52 CO -0.02 -0.41 1.56 0.08 0.00 0.00 0.00 175.76 176.96 2o5j s VAL 53 N -2.86 3.78 -0.03 0.00 1.01 -1.26 -2.60 120.40 118.44 2o5j s VAL 53 Ca -0.03 0.87 0.08 0.00 0.00 0.00 0.00 61.98 62.91 2o5j s VAL 53 Cb 0.00 -3.81 -0.24 0.00 0.00 0.00 0.00 36.38 32.34 2o5j s VAL 53 CO -0.05 -0.35 0.72 0.74 0.00 0.00 0.00 175.10 176.16 2o5j h THR 54 N 6.15 0.95 -3.14 3.92 2.02 -1.67 -3.42 112.91 117.72 2o5j h THR 54 Ca -0.32 -2.76 0.01 0.00 0.77 0.00 0.00 66.41 64.11 2o5j h THR 54 Cb 1.14 2.51 -0.09 0.00 -1.74 0.00 0.00 68.15 69.97 2o5j h THR 54 CO 1.01 0.62 0.14 -0.55 0.37 0.00 0.00 175.52 177.11 2o5j s SER 55 N -6.35 -0.33 0.05 4.18 0.15 -1.25 -1.93 113.70 108.22 2o5j s SER 55 Ca -0.06 -0.43 -0.08 0.00 0.70 0.00 0.00 55.95 56.07 2o5j s SER 55 Cb 0.08 0.64 -0.00 0.00 -1.71 0.00 0.00 66.02 65.03 2o5j s SER 55 CO 0.82 -1.14 0.16 -0.69 1.20 0.00 0.00 173.24 173.59 2o5j s VAL 56 N -3.87 0.12 -0.22 4.45 1.01 -0.84 -0.78 120.40 120.27 2o5j s VAL 56 Ca 0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2o5j s VAL 56 Cb -0.03 -0.97 0.09 0.00 0.00 0.00 0.00 36.38 35.47 2o5j s VAL 56 CO -0.01 -0.55 0.18 -0.47 0.00 0.00 0.00 175.10 174.24 2o5j s TYR 57 N -2.76 -0.07 0.11 5.22 5.04 -0.49 -0.81 117.35 123.59 2o5j s TYR 57 Ca -0.04 -0.17 -0.24 0.00 -2.44 0.00 0.00 57.07 54.19 2o5j s TYR 57 Cb -0.00 -0.56 -0.07 0.00 0.35 0.00 0.00 41.96 41.68 2o5j s TYR 57 CO -0.05 -0.66 0.72 0.42 -1.34 0.00 0.00 175.55 174.65 2o5j s ILE 58 N 2.24 4.55 0.07 3.14 -1.09 -1.26 -2.13 121.20 126.72 2o5j s ILE 58 Ca 0.06 1.57 -0.28 0.00 -2.23 0.00 0.00 60.65 59.77 2o5j s ILE 58 Cb -0.16 -4.08 -0.17 0.00 -1.58 0.00 0.00 42.46 36.48 2o5j s ILE 58 CO -0.18 0.49 1.65 -0.33 -1.23 0.00 0.00 174.94 175.34 2o5j h GLU 59 N 4.75 -0.45 -0.01 2.79 4.39 -1.78 -2.97 114.58 121.30 2o5j h GLU 59 Ca -0.47 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2o5j h GLU 59 Cb 1.21 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2o5j h GLU 59 CO 0.67 -0.28 -0.21 -0.40 -1.16 0.00 0.00 179.01 177.63 2o5j n ASP 60 N -5.28 0.75 -4.78 1.42 5.68 -1.26 -4.88 116.55 108.20 2o5j n ASP 60 Ca -0.10 -0.70 -0.39 0.00 -0.50 0.00 0.00 54.79 53.10 2o5j n ASP 60 Cb 0.21 0.04 -0.06 0.00 -1.14 0.00 0.00 41.12 40.17 2o5j n ASP 60 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2o5j s VAL 61 N -2.53 4.59 -0.18 2.12 0.11 -1.13 -5.00 120.40 118.39 2o5j s VAL 61 Ca 0.25 1.48 -0.08 0.00 -2.93 0.00 0.00 61.98 60.69 2o5j s VAL 61 Cb 0.19 -4.03 -0.08 0.00 -1.53 0.00 0.00 36.38 30.94 2o5j s VAL 61 CO 0.51 0.51 -0.23 0.18 -3.33 0.00 0.00 175.10 172.75 2o5j n LEU 62 N 1.85 1.34 -4.86 2.54 4.32 -1.26 -4.64 117.00 116.29 2o5j n LEU 62 Ca -0.07 0.20 -0.22 0.00 -0.02 0.00 0.00 56.01 55.90 2o5j n LEU 62 Cb 0.50 -0.53 -0.03 0.00 -1.62 0.00 0.00 43.42 41.74 2o5j n LEU 62 CO 0.44 0.39 -0.01 -1.38 -1.22 0.00 0.00 177.39 175.61 2o5j s HIS 63 N -2.33 2.53 -0.34 -1.77 0.00 -1.26 -4.71 115.29 107.42 2o5j s HIS 63 Ca -0.25 -0.55 0.26 0.00 -3.00 0.00 0.00 55.06 51.51 2o5j s HIS 63 Cb 0.09 -2.11 0.62 0.00 -4.00 0.00 0.00 32.58 27.18 2o5j s HIS 63 CO 0.32 -0.14 1.71 1.49 -1.00 0.00 0.00 174.74 177.11 2o5j h GLU 64 N 1.04 0.00 -1.01 -0.38 4.22 -1.96 -3.29 114.58 113.20 2o5j h GLU 64 Ca -0.41 0.00 -0.50 0.00 0.08 0.00 0.00 59.36 58.54 2o5j h GLU 64 Cb 1.27 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.23 2o5j h GLU 64 CO 0.59 0.00 0.63 1.19 -2.18 0.00 0.00 179.01 179.24 2o5j n PHE 65 N -3.02 2.87 -3.28 0.92 3.01 -1.26 -3.42 117.46 113.28 2o5j n PHE 65 Ca 0.03 -1.86 -0.18 0.00 1.01 0.00 0.00 57.45 56.45 2o5j n PHE 65 Cb 0.47 -0.95 -0.00 0.00 -0.01 0.00 0.00 39.48 38.99 2o5j n PHE 65 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2o5j s SER 66 N -1.18 5.72 -0.07 4.37 0.01 -1.24 -4.98 113.70 116.33 2o5j s SER 66 Ca 0.54 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 57.47 2o5j s SER 66 Cb 0.45 -0.90 0.01 0.00 0.21 0.00 0.00 66.02 65.79 2o5j s SER 66 CO 0.09 -0.60 -0.14 0.28 0.41 0.00 0.00 173.24 173.28 2o5j s THR 67 N -2.29 1.28 -0.13 1.44 -1.32 -1.26 -1.84 115.64 111.52 2o5j s THR 67 Ca 0.50 -0.56 -0.12 0.00 -1.21 0.00 0.00 61.69 60.30 2o5j s THR 67 Cb -0.09 -1.16 -0.05 0.00 -1.51 0.00 0.00 72.50 69.69 2o5j s THR 67 CO 0.31 0.39 0.26 -0.63 -2.21 0.00 0.00 174.62 172.74 2o5j s ILE 68 N 0.65 5.32 0.60 5.08 1.01 -1.26 -5.01 121.20 127.59 2o5j s ILE 68 Ca -0.14 0.48 -0.20 0.00 0.00 0.00 0.00 60.65 60.79 2o5j s ILE 68 Cb -0.16 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 2o5j s ILE 68 CO 0.04 0.47 1.33 -2.65 0.00 0.00 0.00 174.94 174.13 2o5j n PRO 69 N 2.98 1.41 -0.90 2.79 -0.02 -1.26 -2.27 135.00 137.73 2o5j n PRO 69 Ca -0.14 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2o5j n PRO 69 Cb 0.53 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2o5j n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o5j n GLY 70 N 0.84 0.40 2.91 -1.23 0.00 -1.26 -4.46 105.19 102.38 2o5j n GLY 70 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2o5j n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o5j s VAL 71 N -2.04 1.34 0.12 1.61 1.01 -0.96 -0.66 120.40 120.81 2o5j s VAL 71 Ca 0.00 -1.01 -0.33 0.00 0.00 0.00 0.00 61.98 60.64 2o5j s VAL 71 Cb 0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 36.38 34.67 2o5j s VAL 71 CO 0.00 -0.05 1.56 0.50 0.00 0.00 0.00 175.10 177.11 2o5j h LYS 72 N 8.02 -0.56 -7.06 2.72 3.64 -1.79 -3.42 116.57 118.12 2o5j h LYS 72 Ca -0.20 0.04 -0.55 0.00 -1.27 0.00 0.00 60.65 58.67 2o5j h LYS 72 Cb 1.09 0.13 0.14 0.00 -0.41 0.00 0.00 32.23 33.18 2o5j h LYS 72 CO 0.41 -0.37 0.59 -1.83 -2.27 0.00 0.00 179.45 175.98 2o5j s GLU 73 N -5.76 3.00 0.30 1.90 1.03 -1.26 -5.00 118.70 112.91 2o5j s GLU 73 Ca -0.16 2.21 -0.07 0.00 0.03 0.00 0.00 54.97 56.98 2o5j s GLU 73 Cb 0.08 -2.16 -0.06 0.00 -0.80 0.00 0.00 34.13 31.19 2o5j s GLU 73 CO 0.62 -1.29 0.60 0.34 -1.33 0.00 0.00 175.26 174.19 2o5j s ASP 74 N -1.04 6.50 0.32 0.83 2.15 -1.26 -4.50 116.67 119.66 2o5j s ASP 74 Ca 0.74 0.84 0.09 0.00 0.43 0.00 0.00 52.55 54.65 2o5j s ASP 74 Cb -0.40 -2.20 0.89 0.00 -0.30 0.00 0.00 42.92 40.92 2o5j s ASP 74 CO 0.46 -0.21 1.69 0.58 -0.17 0.00 0.00 175.17 177.52 2o5j h VAL 75 N 1.43 0.41 -0.65 1.11 2.07 -1.61 0.42 116.25 119.44 2o5j h VAL 75 Ca -0.47 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 2o5j h VAL 75 Cb 1.18 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2o5j h VAL 75 CO 0.66 0.07 0.25 0.58 0.02 0.00 0.00 177.57 179.15 2o5j h VAL 76 N 0.40 1.24 -0.15 2.57 2.07 -1.79 0.38 116.25 120.96 2o5j h VAL 76 Ca 0.64 -0.77 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 2o5j h VAL 76 Cb 1.33 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2o5j h VAL 76 CO -0.56 0.30 -0.42 -0.08 0.02 0.00 0.00 177.57 176.83 2o5j h GLU 77 N 0.91 0.36 0.16 1.57 4.57 -1.33 -2.42 114.58 118.40 2o5j h GLU 77 Ca 0.21 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2o5j h GLU 77 Cb 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2o5j h GLU 77 CO -0.02 0.72 -0.08 0.82 -1.18 0.00 0.00 179.01 179.27 2o5j h ILE 78 N 0.29 0.93 -0.37 2.32 2.04 -0.91 -1.55 117.51 120.27 2o5j h ILE 78 Ca 0.03 -1.02 0.11 0.00 1.00 0.00 0.00 64.86 64.97 2o5j h ILE 78 Cb 0.86 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 2o5j h ILE 78 CO 0.07 0.22 0.33 0.16 0.00 0.00 0.00 178.15 178.92 2o5j h ILE 79 N -0.77 0.58 -0.16 -0.67 3.07 -0.97 0.19 117.51 118.79 2o5j h ILE 79 Ca -0.02 0.00 -0.14 0.00 1.55 0.00 0.00 64.86 66.25 2o5j h ILE 79 Cb 0.52 0.76 0.00 0.00 -0.27 0.00 0.00 36.82 37.83 2o5j h ILE 79 CO 0.04 0.00 -0.43 -0.07 -1.05 0.00 0.00 178.15 176.63 2o5j h LEU 80 N 0.00 0.66 -1.89 0.16 4.07 -1.33 -2.92 115.31 114.07 2o5j h LEU 80 Ca 0.18 -0.58 -0.03 0.00 0.08 0.00 0.00 57.88 57.53 2o5j h LEU 80 Cb 0.83 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.37 2o5j h LEU 80 CO -0.00 1.13 -0.12 -1.13 -1.08 0.00 0.00 178.44 177.24 2o5j h ASN 81 N 0.24 0.00 0.12 -0.43 -0.00 0.36 -2.51 115.58 113.36 2o5j h ASN 81 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 56.30 56.09 2o5j h ASN 81 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.37 2o5j h ASN 81 CO 0.09 0.12 -0.76 -0.07 -0.00 0.00 0.00 177.43 176.81 2o5j h LEU 82 N 0.00 0.65 -2.62 0.34 3.38 -0.99 -2.75 115.31 113.32 2o5j h LEU 82 Ca -0.00 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.55 2o5j h LEU 82 Cb 0.25 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2o5j h LEU 82 CO 0.02 1.20 0.08 0.11 0.09 0.00 0.00 178.44 179.93 2o5j h LYS 83 N 0.36 0.00 0.00 1.13 1.57 -1.26 -0.17 116.57 118.21 2o5j h LYS 83 Ca -0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 2o5j h LYS 83 Cb 1.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 2o5j h LYS 83 CO 0.14 0.00 -0.44 1.49 -0.57 0.00 0.00 179.45 180.08 2o5j h GLU 84 N 0.00 0.00 -6.46 3.15 4.81 -1.52 -3.46 114.58 111.10 2o5j h GLU 84 Ca 0.01 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.71 2o5j h GLU 84 Cb 0.17 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.57 2o5j h GLU 84 CO -0.00 0.44 0.94 -1.17 -0.73 0.00 0.00 179.01 178.49 2o5j s LEU 85 N -6.44 4.36 -0.31 1.64 2.96 -0.08 -4.99 118.68 115.82 2o5j s LEU 85 Ca 0.04 2.42 -0.04 0.00 -0.22 0.00 0.00 54.13 56.33 2o5j s LEU 85 Cb 0.07 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.23 2o5j s LEU 85 CO 0.73 -0.84 0.05 0.54 -1.32 0.00 0.00 176.35 175.52 2o5j s VAL 86 N 2.35 3.43 0.23 1.68 0.11 -1.26 -4.71 120.40 122.23 2o5j s VAL 86 Ca 0.71 -1.16 0.06 0.00 -2.93 0.00 0.00 61.98 58.66 2o5j s VAL 86 Cb -0.38 -2.91 -0.04 0.00 -1.53 0.00 0.00 36.38 31.52 2o5j s VAL 86 CO 0.31 -0.09 0.19 0.68 -3.33 0.00 0.00 175.10 172.86 2o5j s VAL 87 N 1.35 4.50 -0.26 2.04 -7.23 -1.26 -2.83 120.40 116.71 2o5j s VAL 87 Ca -0.02 -1.30 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 2o5j s VAL 87 Cb -0.19 -3.40 0.09 0.00 0.56 0.00 0.00 36.38 33.44 2o5j s VAL 87 CO 0.01 -0.28 0.12 -0.60 -0.31 0.00 0.00 175.10 174.03 2o5j s ARG 88 N -3.65 0.16 0.71 4.82 3.52 -0.43 -4.66 118.95 119.42 2o5j s ARG 88 Ca 0.32 -0.43 -0.09 0.00 -0.13 0.00 0.00 55.73 55.40 2o5j s ARG 88 Cb -0.08 -1.31 0.04 0.00 -1.56 0.00 0.00 34.95 32.04 2o5j s ARG 88 CO 0.25 -0.94 1.05 -0.06 -0.81 0.00 0.00 175.30 174.79 2o5j s PHE 89 N 2.11 3.10 -0.43 5.12 0.08 -1.26 -2.48 117.98 124.22 2o5j s PHE 89 Ca 0.07 0.72 0.11 0.00 0.12 0.00 0.00 56.93 57.96 2o5j s PHE 89 Cb -0.16 -3.14 -0.13 0.00 -0.57 0.00 0.00 43.02 39.01 2o5j s PHE 89 CO -0.31 -1.32 0.43 -0.11 -0.10 0.00 0.00 175.22 173.82 2o5j n LEU 90 N -2.97 0.42 -3.54 -0.37 7.94 -1.01 -4.97 117.00 112.49 2o5j n LEU 90 Ca 0.07 -0.40 -0.15 0.00 -1.11 0.00 0.00 56.01 54.43 2o5j n LEU 90 Cb 0.59 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.49 2o5j n LEU 90 CO 0.55 0.11 0.33 0.54 -1.11 0.00 0.00 177.39 177.81 2o5j s ASN 91 N -2.33 -0.51 0.48 1.96 4.22 -1.26 -5.03 114.94 112.47 2o5j s ASN 91 Ca 0.02 0.29 0.31 0.00 -2.14 0.00 0.00 52.86 51.35 2o5j s ASN 91 Cb 0.08 0.51 1.41 0.00 1.28 0.00 0.00 41.25 44.53 2o5j s ASN 91 CO 0.47 -0.72 1.74 -0.65 -2.04 0.00 0.00 177.10 175.90 2o5j h PRO 92 N 2.77 0.14 -0.30 3.55 0.11 -2.02 0.62 132.00 136.86 2o5j h PRO 92 Ca -0.30 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.89 2o5j h PRO 92 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2o5j h PRO 92 CO 0.40 0.09 0.41 0.77 -0.21 0.00 0.00 178.00 179.46 2o5j h SER 93 N 0.14 0.00 -3.52 -2.05 0.02 -2.04 -3.26 113.55 102.84 2o5j h SER 93 Ca 0.65 0.00 -0.78 0.00 -0.84 0.00 0.00 61.79 60.82 2o5j h SER 93 Cb 2.22 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 64.50 2o5j h SER 93 CO -0.17 0.00 0.38 -0.76 -1.14 0.00 0.00 176.83 175.14 2o5j s LEU 94 N -7.01 6.37 -0.15 5.07 1.43 0.21 -4.82 118.68 119.78 2o5j s LEU 94 Ca -0.04 -3.08 -0.08 0.00 -1.03 0.00 0.00 54.13 49.90 2o5j s LEU 94 Cb 0.14 -2.23 -0.24 0.00 0.03 0.00 0.00 46.19 43.88 2o5j s LEU 94 CO 0.48 -0.49 0.29 0.00 0.23 0.00 0.00 176.35 176.86 2o5j n GLN 95 N 3.67 0.72 -3.68 1.70 3.00 -1.23 -4.84 117.38 116.72 2o5j n GLN 95 Ca 0.20 0.30 -0.27 0.00 -0.01 0.00 0.00 57.00 57.23 2o5j n GLN 95 Cb 0.43 -1.70 -0.17 0.00 0.00 0.00 0.00 30.24 28.81 2o5j n GLN 95 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2o5j s THR 96 N -2.53 0.25 -0.17 5.09 -1.32 -1.26 -3.00 115.64 112.70 2o5j s THR 96 Ca -0.25 -0.37 -0.02 0.00 -1.21 0.00 0.00 61.69 59.85 2o5j s THR 96 Cb 0.07 -0.82 -0.01 0.00 -1.51 0.00 0.00 72.50 70.23 2o5j s THR 96 CO 0.73 -0.23 -0.10 -0.69 -2.21 0.00 0.00 174.62 172.11 2o5j s VAL 97 N 1.99 3.14 -0.39 5.08 1.01 -0.41 -4.95 120.40 125.87 2o5j s VAL 97 Ca 0.00 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 2o5j s VAL 97 Cb -0.17 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.85 2o5j s VAL 97 CO -0.08 0.48 0.35 -0.89 0.00 0.00 0.00 175.10 174.96 2o5j s THR 98 N 0.88 5.19 0.04 3.92 2.01 -1.26 -0.99 115.64 125.42 2o5j s THR 98 Ca -0.02 -0.32 -0.28 0.00 0.31 0.00 0.00 61.69 61.37 2o5j s THR 98 Cb -0.15 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 2o5j s THR 98 CO 0.00 -0.24 0.89 -0.76 -0.69 0.00 0.00 174.62 173.82 2o5j s LEU 99 N 1.90 4.42 -0.04 4.42 1.02 -0.37 -4.91 118.68 125.13 2o5j s LEU 99 Ca 0.09 1.59 0.04 0.00 0.02 0.00 0.00 54.13 55.86 2o5j s LEU 99 Cb -0.18 -3.43 -0.03 0.00 0.02 0.00 0.00 46.19 42.58 2o5j s LEU 99 CO 0.12 -0.12 -0.14 -0.76 0.02 0.00 0.00 176.35 175.47 2o5j s LEU 100 N 0.42 2.78 -0.16 1.79 1.43 -1.26 -1.36 118.68 122.32 2o5j s LEU 100 Ca 0.45 -0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 53.14 2o5j s LEU 100 Cb -0.21 -1.58 0.06 0.00 0.03 0.00 0.00 46.19 44.49 2o5j s LEU 100 CO 0.26 0.34 0.57 -0.22 0.23 0.00 0.00 176.35 177.53 2o5j s LEU 101 N -0.84 -0.19 -0.18 1.79 0.20 -1.10 -1.08 118.68 117.27 2o5j s LEU 101 Ca 0.12 0.95 -0.07 0.00 0.69 0.00 0.00 54.13 55.82 2o5j s LEU 101 Cb -0.11 2.03 0.08 0.00 -0.43 0.00 0.00 46.19 47.76 2o5j s LEU 101 CO 0.01 -0.32 0.39 -0.75 -0.29 0.00 0.00 176.35 175.39 2o5j s LYS 102 N -0.20 0.31 0.03 1.98 2.47 -1.26 -1.47 119.74 121.60 2o5j s LYS 102 Ca -0.04 0.91 0.02 0.00 -1.56 0.00 0.00 55.97 55.30 2o5j s LYS 102 Cb -0.03 0.17 -0.02 0.00 -1.46 0.00 0.00 37.83 36.49 2o5j s LYS 102 CO 0.03 -0.23 -0.08 0.00 0.16 0.00 0.00 175.35 175.24 2o5j s ALA 103 N 2.22 0.59 0.12 3.13 0.00 -0.50 -5.00 121.76 122.32 2o5j s ALA 103 Ca -0.04 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.35 2o5j s ALA 103 Cb -0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 2o5j s ALA 103 CO -0.12 0.04 -0.11 -1.21 0.00 0.00 0.00 175.76 174.36 2o5j s GLU 104 N -1.13 0.94 1.99 0.00 2.02 -1.26 -2.45 118.70 118.82 2o5j s GLU 104 Ca -0.05 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 53.67 2o5j s GLU 104 Cb -0.08 -0.60 0.00 0.00 0.10 0.00 0.00 34.13 33.55 2o5j s GLU 104 CO 0.00 0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.78 2o5j n GLY 105 N 0.30 -1.44 1.89 -1.39 0.00 -0.86 -4.40 105.19 99.29 2o5j n GLY 105 Ca -0.14 -1.30 -0.00 0.00 0.00 0.00 0.00 46.02 44.58 2o5j n GLY 105 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2o5j n PRO 106 N -0.00 0.35 -4.34 1.61 -0.02 -0.69 -4.09 135.00 127.80 2o5j n PRO 106 Ca 0.00 -0.03 -0.28 0.00 -2.02 0.00 0.00 63.50 61.17 2o5j n PRO 106 Cb 0.00 -1.37 -0.11 0.00 -0.02 0.00 0.00 33.50 32.00 2o5j n PRO 106 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2o5j s LYS 107 N 1.45 1.76 -0.16 -0.52 1.02 -1.21 -4.94 119.74 117.14 2o5j s LYS 107 Ca 0.02 -1.34 -0.25 0.00 0.02 0.00 0.00 55.97 54.42 2o5j s LYS 107 Cb 0.01 -2.02 -0.02 0.00 -0.52 0.00 0.00 37.83 35.28 2o5j s LYS 107 CO 0.00 0.44 0.81 -1.21 -0.92 0.00 0.00 175.35 174.46 2o5j s GLU 108 N -2.54 4.30 -0.43 1.68 2.02 -1.26 -2.20 118.70 120.26 2o5j s GLU 108 Ca 0.21 0.98 -0.21 0.00 0.02 0.00 0.00 54.97 55.97 2o5j s GLU 108 Cb -0.09 -3.57 0.02 0.00 0.10 0.00 0.00 34.13 30.60 2o5j s GLU 108 CO 0.11 -0.30 0.65 0.08 0.02 0.00 0.00 175.26 175.83 2o5j s VAL 109 N 2.04 4.82 0.41 2.63 1.01 0.26 -4.98 120.40 126.59 2o5j s VAL 109 Ca 0.37 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.59 2o5j s VAL 109 Cb -0.17 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 2o5j s VAL 109 CO 0.13 -0.59 0.45 -0.54 0.00 0.00 0.00 175.10 174.56 2o5j s LYS 110 N 2.84 2.69 0.48 2.72 1.02 -1.26 -0.36 119.74 127.87 2o5j s LYS 110 Ca 0.23 -1.38 0.32 0.00 0.02 0.00 0.00 55.97 55.16 2o5j s LYS 110 Cb -0.14 -2.56 1.36 0.00 -0.52 0.00 0.00 37.83 35.97 2o5j s LYS 110 CO 0.19 -0.19 1.94 0.00 -0.92 0.00 0.00 175.35 176.37 2o5j h ALA 111 N 0.88 1.00 0.00 5.17 0.00 -0.59 -2.31 119.26 123.41 2o5j h ALA 111 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2o5j h ALA 111 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2o5j h ALA 111 CO 0.52 0.00 0.00 0.07 0.00 0.00 0.00 179.25 179.84 2o5j h ARG 112 N 0.00 0.00 0.00 0.00 0.11 -1.73 -3.16 114.38 109.60 2o5j h ARG 112 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2o5j h ARG 112 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 2o5j h ARG 112 CO 0.00 0.00 0.00 -3.47 0.10 0.00 0.00 179.97 176.60 2o5j n ASP 113 N -2.46 0.58 -4.75 0.08 2.03 -0.87 -4.78 116.55 106.37 2o5j n ASP 113 Ca 0.03 0.63 -0.41 0.00 0.52 0.00 0.00 54.79 55.56 2o5j n ASP 113 Cb 0.34 -0.76 -0.02 0.00 -0.72 0.00 0.00 41.12 39.95 2o5j n ASP 113 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2o5j s PHE 114 N -3.25 3.09 0.04 -0.67 0.40 -1.20 -4.74 117.98 111.65 2o5j s PHE 114 Ca 0.05 1.12 -0.30 0.00 -0.60 0.00 0.00 56.93 57.20 2o5j s PHE 114 Cb 0.10 -3.75 -0.09 0.00 0.51 0.00 0.00 43.02 39.80 2o5j s PHE 114 CO 0.40 -2.37 1.86 -0.48 0.70 0.00 0.00 175.22 175.33 2o5j s LEU 115 N -0.44 4.40 0.31 -0.37 0.05 -0.24 -4.90 118.68 117.49 2o5j s LEU 115 Ca 0.58 2.60 -0.28 0.00 0.05 0.00 0.00 54.13 57.07 2o5j s LEU 115 Cb -0.40 -3.54 -0.13 0.00 -2.05 0.00 0.00 46.19 40.07 2o5j s LEU 115 CO 0.43 -1.01 1.24 -2.65 -0.55 0.00 0.00 176.35 173.81 2o5j n PRO 116 N 6.90 1.94 -4.60 1.48 -0.02 -1.26 -4.62 135.00 134.81 2o5j n PRO 116 Ca 0.19 0.68 -0.33 0.00 -2.02 0.00 0.00 63.50 62.01 2o5j n PRO 116 Cb 0.41 -2.22 -0.12 0.00 -0.02 0.00 0.00 33.50 31.54 2o5j n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2o5j s VAL 117 N -0.94 3.57 0.03 -1.45 1.01 -1.26 -5.07 120.40 116.30 2o5j s VAL 117 Ca 0.58 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 2o5j s VAL 117 Cb -0.61 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 2o5j s VAL 117 CO 0.60 0.54 0.88 0.00 0.00 0.00 0.00 175.10 177.12 2o5j n ALA 118 N 2.99 -0.13 0.50 5.51 0.00 -1.26 -1.92 120.51 126.20 2o5j n ALA 118 Ca -0.18 0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.53 2o5j n ALA 118 Cb 0.53 0.26 0.27 0.00 0.00 0.00 0.00 19.45 20.50 2o5j n ALA 118 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2o5j n ASP 119 N -3.33 2.81 -4.59 0.00 10.43 -1.26 -4.92 116.55 115.69 2o5j n ASP 119 Ca 0.00 -1.93 -0.33 0.00 2.57 0.00 0.00 54.79 55.11 2o5j n ASP 119 Cb 0.05 -0.27 -0.11 0.00 1.84 0.00 0.00 41.12 42.63 2o5j n ASP 119 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2o5j s VAL 120 N -1.46 3.66 0.08 2.53 1.01 -0.81 -2.41 120.40 123.00 2o5j s VAL 120 Ca 0.36 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.72 2o5j s VAL 120 Cb 0.20 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2o5j s VAL 120 CO 0.27 0.45 -0.18 -0.70 0.00 0.00 0.00 175.10 174.94 2o5j s GLU 121 N -1.25 1.04 -0.36 2.72 -6.30 -1.04 -4.39 118.70 109.12 2o5j s GLU 121 Ca 0.16 -1.02 -0.03 0.00 -2.50 0.00 0.00 54.97 51.58 2o5j s GLU 121 Cb -0.11 -1.18 0.08 0.00 0.00 0.00 0.00 34.13 32.92 2o5j s GLU 121 CO 0.06 0.28 0.11 0.42 0.02 0.00 0.00 175.26 176.15 2o5j s ILE 122 N -1.11 3.18 -2.10 -3.70 1.01 -1.26 -1.31 121.20 115.91 2o5j s ILE 122 Ca 0.03 -1.73 0.29 0.00 0.00 0.00 0.00 60.65 59.24 2o5j s ILE 122 Cb -0.10 -3.02 0.58 0.00 0.01 0.00 0.00 42.46 39.92 2o5j s ILE 122 CO 0.03 -0.42 1.86 0.23 0.00 0.00 0.00 174.94 176.64 2o5j n MET 123 N 4.61 1.19 -3.17 2.79 2.81 -1.13 -4.23 117.12 119.99 2o5j n MET 123 Ca -0.07 -0.52 -0.28 0.00 -1.81 0.00 0.00 57.70 55.03 2o5j n MET 123 Cb 0.42 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.39 2o5j n MET 123 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2o5j n ASN 124 N -0.45 4.25 0.28 7.83 5.15 -1.24 -4.96 115.26 126.12 2o5j n ASN 124 Ca 0.18 -3.57 -0.11 0.00 -0.60 0.00 0.00 54.58 50.48 2o5j n ASN 124 Cb 0.28 -0.64 -0.05 0.00 -0.53 0.00 0.00 39.78 38.84 2o5j n ASN 124 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2o5j h PRO 125 N 3.64 -0.69 0.00 1.20 0.11 -1.89 -3.27 132.00 131.09 2o5j h PRO 125 Ca 0.17 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2o5j h PRO 125 Cb 0.58 0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2o5j h PRO 125 CO 0.85 -0.46 0.00 -0.25 -0.21 0.00 0.00 178.00 177.92 2o5j n ASP 126 N -4.18 0.00 -4.68 -2.05 8.00 -1.26 -0.77 116.55 111.62 2o5j n ASP 126 Ca -0.09 -0.34 -0.45 0.00 0.71 0.00 0.00 54.79 54.63 2o5j n ASP 126 Cb 0.28 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 2o5j n ASP 126 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2o5j n LEU 127 N -1.01 3.29 -4.61 0.64 7.94 -1.23 -4.79 117.00 117.23 2o5j n LEU 127 Ca 0.08 1.12 -0.43 0.00 -1.11 0.00 0.00 56.01 55.68 2o5j n LEU 127 Cb 0.04 -1.45 -0.03 0.00 0.53 0.00 0.00 43.42 42.51 2o5j n LEU 127 CO 0.06 -0.33 0.83 -2.28 -1.11 0.00 0.00 177.39 174.56 2o5j s HIS 128 N 0.24 3.05 -0.17 1.96 5.65 -1.26 -2.41 115.29 122.34 2o5j s HIS 128 Ca 0.71 0.82 -0.15 0.00 0.25 0.00 0.00 55.06 56.68 2o5j s HIS 128 Cb -0.63 -3.79 -0.22 0.00 -1.18 0.00 0.00 32.58 26.76 2o5j s HIS 128 CO 0.46 -0.89 0.26 -0.89 -0.65 0.00 0.00 174.74 173.03 2o5j n ILE 129 N 6.10 1.64 -3.74 0.89 2.08 0.52 -4.94 119.36 121.91 2o5j n ILE 129 Ca 0.09 -0.31 -0.04 0.00 0.56 0.00 0.00 62.75 63.05 2o5j n ILE 129 Cb 0.48 -1.91 -0.01 0.00 -0.75 0.00 0.00 39.64 37.45 2o5j n ILE 129 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2o5j s ALA 130 N -2.45 -1.65 -0.25 -1.39 0.00 -1.02 -4.76 121.76 110.23 2o5j s ALA 130 Ca -0.26 0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.89 2o5j s ALA 130 Cb 0.06 0.63 0.06 0.00 0.00 0.00 0.00 23.12 23.88 2o5j s ALA 130 CO 0.67 -1.02 -0.09 0.99 0.00 0.00 0.00 175.76 176.31 2o5j s THR 131 N -3.29 1.87 -0.10 0.00 2.01 -1.26 -0.58 115.64 114.28 2o5j s THR 131 Ca 0.12 -1.43 -0.13 0.00 0.31 0.00 0.00 61.69 60.56 2o5j s THR 131 Cb -0.01 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 2o5j s THR 131 CO 0.02 -0.05 0.31 -0.76 -0.69 0.00 0.00 174.62 173.45 2o5j s LEU 132 N 1.24 4.34 0.00 4.42 1.02 -0.94 -2.80 118.68 125.96 2o5j s LEU 132 Ca -0.07 0.66 0.00 0.00 0.02 0.00 0.00 54.13 54.74 2o5j s LEU 132 Cb -0.19 -2.41 0.00 0.00 0.02 0.00 0.00 46.19 43.61 2o5j s LEU 132 CO -0.06 0.22 0.00 1.21 0.02 0.00 0.00 176.35 177.74 2o5j n GLU 133 N 2.76 0.00 -3.92 1.70 4.07 0.16 -3.34 120.64 122.07 2o5j n GLU 133 Ca -0.14 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 56.86 2o5j n GLU 133 Cb 0.53 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.78 2o5j n GLU 133 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2o5j s GLU 134 N 0.03 0.18 -1.56 5.31 0.41 -1.26 -1.71 118.70 120.09 2o5j s GLU 134 Ca 0.00 -0.31 0.00 0.00 -0.41 0.00 0.00 54.97 54.25 2o5j s GLU 134 Cb 0.00 0.07 0.00 0.00 -1.78 0.00 0.00 34.13 32.42 2o5j s GLU 134 CO 0.00 -0.03 0.00 0.41 -0.49 0.00 0.00 175.26 175.15 2o5j n GLY 135 N 2.28 0.08 3.52 -1.39 0.00 -1.26 -4.65 105.19 103.77 2o5j n GLY 135 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 2o5j n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2o5j s GLY 136 N -2.15 1.37 -0.34 -0.02 0.00 -1.26 -4.76 107.32 100.15 2o5j s GLY 136 Ca 0.00 -1.30 -0.11 0.00 0.00 0.00 0.00 44.72 43.31 2o5j s GLY 136 CO 0.00 2.09 0.19 -1.60 0.00 0.00 0.00 173.10 173.78 2o5j s ARG 137 N 4.07 3.11 -0.22 2.90 3.00 -1.26 -2.02 118.95 128.53 2o5j s ARG 137 Ca 0.30 -0.88 -0.01 0.00 -1.00 0.00 0.00 55.73 54.13 2o5j s ARG 137 Cb -0.13 -3.67 0.06 0.00 0.00 0.00 0.00 34.95 31.22 2o5j s ARG 137 CO 0.18 -0.55 0.01 -1.17 0.00 0.00 0.00 175.30 173.77 2o5j s LEU 138 N 1.60 1.73 -0.22 -0.88 2.96 -1.02 -4.99 118.68 117.86 2o5j s LEU 138 Ca 0.04 -1.02 -0.01 0.00 -0.22 0.00 0.00 54.13 52.92 2o5j s LEU 138 Cb -0.18 -0.81 0.06 0.00 0.50 0.00 0.00 46.19 45.76 2o5j s LEU 138 CO 0.07 -0.30 -0.02 0.21 -1.32 0.00 0.00 176.35 175.00 2o5j s ASN 139 N 1.69 3.47 0.22 3.68 2.47 -1.26 -1.40 114.94 123.80 2o5j s ASN 139 Ca -0.01 -1.04 0.01 0.00 0.42 0.00 0.00 52.86 52.24 2o5j s ASN 139 Cb -0.18 -0.94 -0.05 0.00 -1.45 0.00 0.00 41.25 38.63 2o5j s ASN 139 CO -0.09 -0.27 0.07 0.00 -3.72 0.00 0.00 177.10 173.09 2o5j s MET 140 N 1.58 1.26 -0.20 0.43 0.23 -0.54 -1.87 119.30 120.19 2o5j s MET 140 Ca -0.04 -1.65 -0.01 0.00 -1.03 0.00 0.00 55.69 52.95 2o5j s MET 140 Cb -0.18 -0.16 0.06 0.00 -1.53 0.00 0.00 34.83 33.02 2o5j s MET 140 CO -0.07 -0.26 -0.00 -1.21 -2.03 0.00 0.00 175.02 171.45 2o5j s GLU 141 N -4.02 1.02 -0.27 3.16 0.41 -0.91 -2.73 118.70 115.38 2o5j s GLU 141 Ca 0.33 -0.60 -0.06 0.00 -0.41 0.00 0.00 54.97 54.23 2o5j s GLU 141 Cb 0.07 -2.23 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 2o5j s GLU 141 CO 0.10 -0.60 0.04 0.14 -0.49 0.00 0.00 175.26 174.45 2o5j s VAL 142 N 1.70 3.81 0.52 2.63 -7.23 -0.47 -1.40 120.40 119.96 2o5j s VAL 142 Ca -0.02 -0.60 -0.20 0.00 -1.81 0.00 0.00 61.98 59.35 2o5j s VAL 142 Cb -0.17 -2.89 -0.07 0.00 0.56 0.00 0.00 36.38 33.81 2o5j s VAL 142 CO -0.07 0.20 1.10 -0.60 -0.31 0.00 0.00 175.10 175.41 2o5j s ARG 143 N 1.50 3.55 -0.03 4.82 6.06 0.04 -1.23 118.95 133.66 2o5j s ARG 143 Ca 0.04 1.52 -0.01 0.00 -2.50 0.00 0.00 55.73 54.78 2o5j s ARG 143 Cb -0.16 -2.06 0.03 0.00 0.06 0.00 0.00 34.95 32.82 2o5j s ARG 143 CO 0.01 -0.67 0.06 0.08 -2.50 0.00 0.00 175.30 172.28 2o5j s VAL 144 N -1.84 -0.05 0.34 7.11 1.01 -0.16 -2.01 120.40 124.79 2o5j s VAL 144 Ca 0.70 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.93 2o5j s VAL 144 Cb -0.21 -0.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.99 2o5j s VAL 144 CO 0.24 0.08 0.01 -1.81 0.00 0.00 0.00 175.10 173.63 2o5j s ASP 145 N 0.99 2.94 -0.33 3.32 1.11 -1.07 -1.29 116.67 122.36 2o5j s ASP 145 Ca -0.08 -1.33 -0.05 0.00 0.18 0.00 0.00 52.55 51.27 2o5j s ASP 145 Cb -0.11 -0.20 0.04 0.00 1.07 0.00 0.00 42.92 43.72 2o5j s ASP 145 CO -0.03 -0.49 0.07 0.00 1.18 0.00 0.00 175.17 175.89 2o5j s ARG 146 N -3.79 2.54 0.00 8.23 1.70 -1.16 -2.98 118.95 123.48 2o5j s ARG 146 Ca 0.34 -1.22 0.00 0.00 -0.47 0.00 0.00 55.73 54.38 2o5j s ARG 146 Cb 0.08 -3.36 0.00 0.00 -0.57 0.00 0.00 34.95 31.10 2o5j s ARG 146 CO 0.16 -0.65 0.00 0.41 -1.08 0.00 0.00 175.30 174.13 2o5j n GLY 147 N 4.74 4.35 2.93 3.88 0.00 -1.13 -4.96 105.19 114.99 2o5j n GLY 147 Ca -0.13 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 2o5j n GLY 147 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2o5j s VAL 148 N -1.69 0.02 0.00 1.61 -7.23 -1.26 -1.72 120.40 110.14 2o5j s VAL 148 Ca 0.00 -0.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.97 2o5j s VAL 148 Cb 0.00 -0.11 0.00 0.00 0.56 0.00 0.00 36.38 36.83 2o5j s VAL 148 CO 0.00 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 2o5j n GLY 149 N 2.72 -0.18 3.42 2.32 0.00 -1.24 -4.79 105.19 107.45 2o5j n GLY 149 Ca -0.15 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 2o5j n GLY 149 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2o5j s TYR 150 N 0.00 2.92 -0.27 1.61 5.04 -1.26 -2.78 117.35 122.61 2o5j s TYR 150 Ca 0.00 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.11 2o5j s TYR 150 Cb 0.00 -1.92 0.08 0.00 0.35 0.00 0.00 41.96 40.47 2o5j s TYR 150 CO 0.00 -0.16 0.03 0.08 -1.34 0.00 0.00 175.55 174.15 2o5j s VAL 151 N 0.45 1.27 0.37 3.14 1.01 -0.94 -4.98 120.40 120.72 2o5j s VAL 151 Ca -0.07 -1.35 -0.26 0.00 0.00 0.00 0.00 61.98 60.31 2o5j s VAL 151 Cb -0.15 -1.77 -0.12 0.00 0.00 0.00 0.00 36.38 34.35 2o5j s VAL 151 CO 0.04 -0.38 1.11 -2.65 0.00 0.00 0.00 175.10 173.21 2o5j n PRO 152 N 4.73 1.60 0.26 2.72 -0.02 -1.26 -0.59 135.00 142.44 2o5j n PRO 152 Ca -0.06 0.57 0.18 0.00 -2.02 0.00 0.00 63.50 62.17 2o5j n PRO 152 Cb 0.44 -2.11 0.87 0.00 -0.02 0.00 0.00 33.50 32.68 2o5j n PRO 152 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2o5j h ALA 153 N 1.94 1.53 -0.01 3.55 0.00 -1.91 0.13 119.26 124.49 2o5j h ALA 153 Ca -0.44 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 2o5j h ALA 153 Cb 1.32 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2o5j h ALA 153 CO 0.59 -0.33 -0.87 1.49 0.00 0.00 0.00 179.25 180.13 2o5j h GLU 154 N 0.00 0.27 -0.06 0.00 4.81 -1.93 -2.42 114.58 115.26 2o5j h GLU 154 Ca 0.06 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 2o5j h GLU 154 Cb 0.59 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 2o5j h GLU 154 CO -0.00 0.99 -0.02 -0.22 -0.73 0.00 0.00 179.01 179.03 2o5j h LYS 155 N 0.16 0.12 0.10 1.92 1.63 -1.07 -3.37 116.57 116.06 2o5j h LYS 155 Ca -0.05 -0.04 -0.37 0.00 -0.85 0.00 0.00 60.65 59.34 2o5j h LYS 155 Cb 1.49 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 33.09 2o5j h LYS 155 CO 0.14 0.45 -2.06 -2.39 -3.45 0.00 0.00 179.45 172.15 2o5j n HIS 156 N -4.82 1.06 -3.13 1.91 1.44 -1.20 -5.04 115.22 105.43 2o5j n HIS 156 Ca -0.07 0.23 -0.21 0.00 -2.01 0.00 0.00 57.72 55.66 2o5j n HIS 156 Cb 0.22 -1.14 0.02 0.00 0.12 0.00 0.00 29.99 29.22 2o5j n HIS 156 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2o5j n GLY 157 N 2.02 -0.73 3.80 -1.39 0.00 -0.91 -4.95 105.19 103.03 2o5j n GLY 157 Ca -0.34 1.19 -0.38 0.00 0.00 0.00 0.00 46.02 46.49 2o5j n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2o5j s ILE 158 N -2.09 4.53 -0.44 -0.61 -1.09 -1.26 -5.04 121.20 115.20 2o5j s ILE 158 Ca 0.30 1.42 0.07 0.00 -2.23 0.00 0.00 60.65 60.21 2o5j s ILE 158 Cb -0.06 -3.97 0.24 0.00 -1.58 0.00 0.00 42.46 37.10 2o5j s ILE 158 CO 0.80 0.39 0.54 2.29 -1.23 0.00 0.00 174.94 177.73 2o5j n LYS 159 N 1.24 0.99 0.09 2.79 2.85 -1.26 -4.49 118.16 120.37 2o5j n LYS 159 Ca -0.05 -3.50 -0.13 0.00 -1.05 0.00 0.00 58.31 53.58 2o5j n LYS 159 Cb 0.50 -1.48 -0.08 0.00 -0.65 0.00 0.00 35.03 33.32 2o5j n LYS 159 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2o5j h ASP 160 N 4.26 -0.22 -3.55 -5.58 5.19 -1.96 -3.44 116.42 111.13 2o5j h ASP 160 Ca 0.12 -0.27 -0.67 0.00 -0.62 0.00 0.00 57.03 55.59 2o5j h ASP 160 Cb 0.84 0.06 -0.16 0.00 0.18 0.00 0.00 39.33 40.25 2o5j h ASP 160 CO 0.52 0.19 -0.72 -0.13 -3.12 0.00 0.00 179.24 175.98 2o5j s ARG 161 N -4.44 2.34 0.32 3.56 3.00 -1.26 -5.04 118.95 117.42 2o5j s ARG 161 Ca -0.14 -0.89 0.02 0.00 0.00 0.00 0.00 55.73 54.71 2o5j s ARG 161 Cb 0.02 -2.41 0.54 0.00 0.00 0.00 0.00 34.95 33.10 2o5j s ARG 161 CO 0.57 0.54 1.89 -0.84 0.00 0.00 0.00 175.30 177.46 2o5j h ILE 162 N 3.35 1.20 -0.01 1.52 -0.00 -1.98 -2.51 117.51 119.07 2o5j h ILE 162 Ca -0.48 -0.67 0.00 0.00 -0.00 0.00 0.00 64.86 63.70 2o5j h ILE 162 Cb 1.17 0.68 0.00 0.00 -0.00 0.00 0.00 36.82 38.66 2o5j h ILE 162 CO 0.54 0.25 -0.03 -0.46 -0.00 0.00 0.00 178.15 178.46 2o5j n ASN 163 N -4.32 1.34 -4.74 2.16 0.23 -1.26 -4.93 115.26 103.74 2o5j n ASN 163 Ca 0.03 -1.39 -0.31 0.00 -0.53 0.00 0.00 54.58 52.38 2o5j n ASN 163 Cb 0.19 0.01 0.12 0.00 -2.08 0.00 0.00 39.78 38.02 2o5j n ASN 163 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2o5j s ALA 164 N -2.05 1.99 -0.13 -2.53 0.00 -0.95 -4.63 121.76 113.46 2o5j s ALA 164 Ca 0.37 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.72 2o5j s ALA 164 Cb 0.21 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 20.01 2o5j s ALA 164 CO 0.36 -2.10 -0.17 0.96 0.00 0.00 0.00 175.76 174.81 2o5j s ILE 165 N -2.82 1.69 0.79 0.00 -4.36 0.01 -4.96 121.20 111.54 2o5j s ILE 165 Ca 0.63 -0.74 -0.13 0.00 -0.26 0.00 0.00 60.65 60.15 2o5j s ILE 165 Cb -0.19 -1.54 0.07 0.00 1.25 0.00 0.00 42.46 42.06 2o5j s ILE 165 CO 0.57 0.48 1.15 -2.84 0.24 0.00 0.00 174.94 174.54 2o5j s PRO 166 N 1.06 1.90 0.06 0.37 0.02 -1.26 -1.99 135.00 135.16 2o5j s PRO 166 Ca -0.04 1.54 0.05 0.00 0.02 0.00 0.00 61.00 62.56 2o5j s PRO 166 Cb -0.15 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 2o5j s PRO 166 CO -0.04 -1.97 -0.13 0.08 -0.33 0.00 0.00 177.00 174.61 2o5j s VAL 167 N -2.41 1.03 0.25 3.83 1.01 -0.81 -4.88 120.40 118.43 2o5j s VAL 167 Ca 0.69 -1.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 2o5j s VAL 167 Cb -0.24 -0.99 -0.12 0.00 0.00 0.00 0.00 36.38 35.04 2o5j s VAL 167 CO 0.51 -0.18 1.65 0.47 0.00 0.00 0.00 175.10 177.55 2o5j n ASP 168 N 1.49 3.89 -4.64 3.32 8.00 -1.26 -4.28 116.55 123.07 2o5j n ASP 168 Ca -0.20 1.11 -0.42 0.00 0.71 0.00 0.00 54.79 55.98 2o5j n ASP 168 Cb 0.54 -1.58 -0.04 0.00 -0.02 0.00 0.00 41.12 40.02 2o5j n ASP 168 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2o5j s ALA 169 N 0.53 3.62 -0.64 2.24 0.00 0.24 -4.77 121.76 122.97 2o5j s ALA 169 Ca 0.69 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.48 2o5j s ALA 169 Cb -0.51 -3.32 0.16 0.00 0.00 0.00 0.00 23.12 19.45 2o5j s ALA 169 CO 0.41 -1.02 0.44 0.14 0.00 0.00 0.00 175.76 175.73 2o5j s VAL 170 N 2.93 3.30 -2.23 0.00 -7.23 -1.26 -2.22 120.40 113.69 2o5j s VAL 170 Ca 0.35 -3.42 0.24 0.00 -1.81 0.00 0.00 61.98 57.34 2o5j s VAL 170 Cb -0.15 -3.17 0.10 0.00 0.56 0.00 0.00 36.38 33.71 2o5j s VAL 170 CO 0.09 -0.90 1.22 0.49 -0.31 0.00 0.00 175.10 175.69 2o5j n PHE 171 N 2.96 0.00 -4.06 2.82 3.72 -1.12 -3.96 117.46 117.82 2o5j n PHE 171 Ca 0.11 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.15 2o5j n PHE 171 Cb 0.35 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.81 2o5j n PHE 171 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2o5j s SER 172 N -2.36 5.93 0.10 4.37 0.01 -1.26 -1.91 113.70 118.58 2o5j s SER 172 Ca 0.22 0.30 0.26 0.00 1.31 0.00 0.00 55.95 58.04 2o5j s SER 172 Cb 0.19 -1.81 1.00 0.00 0.21 0.00 0.00 66.02 65.60 2o5j s SER 172 CO 0.50 0.35 1.81 -2.65 0.41 0.00 0.00 173.24 173.66 2o5j n PRO 173 N 1.73 0.11 -3.53 12.44 -0.02 -1.26 -4.67 135.00 139.80 2o5j n PRO 173 Ca -0.17 0.14 -0.41 0.00 -2.02 0.00 0.00 63.50 61.04 2o5j n PRO 173 Cb 0.54 -1.64 -0.11 0.00 -0.02 0.00 0.00 33.50 32.27 2o5j n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2o5j s VAL 174 N -3.06 5.20 0.05 -1.45 1.01 -1.26 0.12 120.40 121.00 2o5j s VAL 174 Ca 0.11 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 2o5j s VAL 174 Cb 0.15 -3.73 -0.21 0.00 0.00 0.00 0.00 36.38 32.59 2o5j s VAL 174 CO 0.51 -0.08 1.19 0.03 0.00 0.00 0.00 175.10 176.75 2o5j h ARG 175 N 8.51 0.57 -2.49 2.72 2.47 -1.65 -3.47 114.38 121.04 2o5j h ARG 175 Ca -0.30 -0.54 -0.09 0.00 -1.26 0.00 0.00 59.98 57.79 2o5j h ARG 175 Cb 1.15 0.14 -0.21 0.00 -1.65 0.00 0.00 29.97 29.40 2o5j h ARG 175 CO 0.66 1.16 -0.06 -0.98 0.56 0.00 0.00 179.97 181.31 2o5j s ARG 176 N -3.46 0.78 0.15 0.04 1.70 -1.25 -5.04 118.95 111.88 2o5j s ARG 176 Ca -0.12 0.27 0.11 0.00 -0.47 0.00 0.00 55.73 55.52 2o5j s ARG 176 Cb 0.06 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.76 2o5j s ARG 176 CO 0.86 -0.20 -0.25 0.14 -1.08 0.00 0.00 175.30 174.77 2o5j s VAL 177 N -0.74 2.25 -0.21 4.99 -7.23 -1.26 -1.00 120.40 117.19 2o5j s VAL 177 Ca -0.08 -1.86 -0.14 0.00 -1.81 0.00 0.00 61.98 58.09 2o5j s VAL 177 Cb -0.03 -2.02 0.06 0.00 0.56 0.00 0.00 36.38 34.95 2o5j s VAL 177 CO 0.05 -0.01 0.53 0.00 -0.31 0.00 0.00 175.10 175.36 2o5j s ALA 178 N -1.34 -1.39 0.03 1.32 0.00 -0.40 -4.98 121.76 115.00 2o5j s ALA 178 Ca 0.16 1.82 0.04 0.00 0.00 0.00 0.00 51.96 53.98 2o5j s ALA 178 Cb -0.09 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 2o5j s ALA 178 CO 0.07 -0.30 -0.11 -0.59 0.00 0.00 0.00 175.76 174.83 2o5j s PHE 179 N 1.19 0.98 -0.01 0.00 -0.00 -1.26 0.12 117.98 118.99 2o5j s PHE 179 Ca -0.07 -0.34 0.03 0.00 -0.00 0.00 0.00 56.93 56.55 2o5j s PHE 179 Cb -0.06 -0.59 -0.01 0.00 -0.00 0.00 0.00 43.02 42.37 2o5j s PHE 179 CO -0.12 0.00 -0.11 -0.65 -0.00 0.00 0.00 175.22 174.34 2o5j s GLN 180 N -1.04 0.97 -0.56 1.99 1.11 -0.66 -4.99 119.66 116.48 2o5j s GLN 180 Ca -0.01 -0.39 0.00 0.00 0.01 0.00 0.00 55.36 54.97 2o5j s GLN 180 Cb -0.07 -0.92 0.14 0.00 -1.01 0.00 0.00 33.01 31.15 2o5j s GLN 180 CO 0.01 0.21 0.34 0.08 0.01 0.00 0.00 175.29 175.94 2o5j s VAL 181 N -0.14 3.20 0.02 1.09 1.01 -1.26 -2.30 120.40 122.02 2o5j s VAL 181 Ca 0.02 -3.00 -0.10 0.00 0.00 0.00 0.00 61.98 58.90 2o5j s VAL 181 Cb -0.06 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 2o5j s VAL 181 CO -0.00 -0.82 0.34 -1.61 0.00 0.00 0.00 175.10 173.01 2o5j s GLU 182 N -0.01 3.73 0.38 2.72 8.01 -0.95 -4.78 118.70 127.80 2o5j s GLU 182 Ca 0.16 0.15 -0.27 0.00 0.01 0.00 0.00 54.97 55.02 2o5j s GLU 182 Cb -0.22 -3.10 -0.10 0.00 -4.31 0.00 0.00 34.13 26.40 2o5j s GLU 182 CO -0.03 0.64 1.40 -0.51 0.01 0.00 0.00 175.26 176.78 2o5j s ASP 183 N -1.47 6.37 0.07 -0.19 -0.00 -1.26 -2.05 116.67 118.14 2o5j s ASP 183 Ca 0.27 2.87 0.07 0.00 -0.00 0.00 0.00 52.55 55.76 2o5j s ASP 183 Cb -0.14 -2.66 -0.03 0.00 -0.00 0.00 0.00 42.92 40.09 2o5j s ASP 183 CO 0.15 -0.83 -0.18 0.28 -0.00 0.00 0.00 175.17 174.58 2o5j s THR 184 N -1.16 1.47 -0.22 -1.27 -1.32 -1.19 -4.89 115.64 107.05 2o5j s THR 184 Ca 0.54 -1.34 -0.06 0.00 -1.21 0.00 0.00 61.69 59.62 2o5j s THR 184 Cb -0.43 -1.34 -0.03 0.00 -1.51 0.00 0.00 72.50 69.20 2o5j s THR 184 CO 0.57 -0.03 0.02 -0.60 -2.21 0.00 0.00 174.62 172.37 2o5j s ARG 185 N -1.60 3.63 -0.23 7.08 3.52 -1.26 -4.11 118.95 125.98 2o5j s ARG 185 Ca 0.04 -0.50 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 2o5j s ARG 185 Cb -0.09 -3.17 0.02 0.00 -1.56 0.00 0.00 34.95 30.15 2o5j s ARG 185 CO 0.03 -0.06 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.19 2o5j s LEU 186 N 1.22 2.92 0.00 -0.88 0.20 -1.25 -5.04 118.68 115.85 2o5j s LEU 186 Ca 0.04 -0.81 0.00 0.00 0.69 0.00 0.00 54.13 54.05 2o5j s LEU 186 Cb -0.15 -1.62 0.00 0.00 -0.43 0.00 0.00 46.19 44.00 2o5j s LEU 186 CO 0.02 -0.09 0.00 0.61 -0.29 0.00 0.00 176.35 176.60 2o5j n GLY 187 N 4.65 0.00 0.17 7.98 0.00 -1.26 -2.13 105.19 114.61 2o5j n GLY 187 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 2o5j n GLY 187 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2o5j h GLN 188 N 0.00 -0.36 -5.22 1.61 4.20 -2.03 -3.45 115.11 109.87 2o5j h GLN 188 Ca 0.00 0.02 -0.66 0.00 0.06 0.00 0.00 58.65 58.08 2o5j h GLN 188 Cb 0.00 0.08 -0.28 0.00 0.30 0.00 0.00 27.48 27.58 2o5j h GLN 188 CO 0.00 -0.24 -0.77 -0.98 -0.67 0.00 0.00 178.83 176.17 2o5j s ARG 189 N -2.77 3.34 0.15 1.46 1.70 -0.90 -5.00 118.95 116.92 2o5j s ARG 189 Ca -0.05 -0.69 -0.11 0.00 -0.47 0.00 0.00 55.73 54.40 2o5j s ARG 189 Cb 0.01 -2.71 0.00 0.00 -0.57 0.00 0.00 34.95 31.68 2o5j s ARG 189 CO 0.16 0.08 1.55 1.79 -1.08 0.00 0.00 175.30 177.80 2o5j h THR 190 N 5.53 1.27 -0.33 4.99 1.35 -1.88 -3.34 112.91 120.51 2o5j h THR 190 Ca -0.31 -1.27 -0.01 0.00 -0.55 0.00 0.00 66.41 64.27 2o5j h THR 190 Cb 1.19 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2o5j h THR 190 CO 0.57 0.44 0.03 -1.81 -0.25 0.00 0.00 175.52 174.50 2o5j s ASP 191 N -6.56 3.84 0.05 5.36 1.01 -1.26 -4.51 116.67 114.59 2o5j s ASP 191 Ca -0.12 -0.07 -0.05 0.00 0.71 0.00 0.00 52.55 53.01 2o5j s ASP 191 Cb 0.12 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 2o5j s ASP 191 CO 0.85 -3.98 0.09 -0.76 0.21 0.00 0.00 175.17 171.58 2o5j s LEU 192 N 15.04 1.87 -0.07 1.23 1.43 -1.26 -4.76 118.68 132.16 2o5j s LEU 192 Ca 0.91 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2o5j s LEU 192 Cb -0.12 0.62 -0.03 0.00 0.03 0.00 0.00 46.19 46.69 2o5j s LEU 192 CO 0.09 -0.59 0.01 -1.81 0.23 0.00 0.00 176.35 174.28 2o5j s ASP 193 N -2.51 5.27 -0.21 2.29 1.11 -0.95 -3.20 116.67 118.47 2o5j s ASP 193 Ca 0.01 0.13 -0.01 0.00 0.18 0.00 0.00 52.55 52.85 2o5j s ASP 193 Cb 0.03 -1.47 0.06 0.00 1.07 0.00 0.00 42.92 42.60 2o5j s ASP 193 CO -0.08 0.36 -0.01 -0.75 1.18 0.00 0.00 175.17 175.87 2o5j s LYS 194 N -1.04 1.12 -0.17 8.23 2.20 -0.87 -1.49 119.74 127.72 2o5j s LYS 194 Ca 0.15 -0.65 -0.07 0.00 -0.36 0.00 0.00 55.97 55.03 2o5j s LYS 194 Cb -0.11 -2.28 -0.04 0.00 -1.51 0.00 0.00 37.83 33.89 2o5j s LYS 194 CO 0.04 -0.60 0.07 -1.17 -0.36 0.00 0.00 175.35 173.33 2o5j s LEU 195 N 1.65 3.87 -0.16 5.43 2.96 -1.05 -2.25 118.68 129.14 2o5j s LEU 195 Ca -0.03 0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.99 2o5j s LEU 195 Cb -0.18 -1.97 0.05 0.00 0.50 0.00 0.00 46.19 44.59 2o5j s LEU 195 CO -0.07 0.21 0.01 0.42 -1.32 0.00 0.00 176.35 175.60 2o5j s THR 196 N 0.15 0.59 -0.14 3.68 -4.23 -0.97 -0.68 115.64 114.04 2o5j s THR 196 Ca 0.05 -0.43 -0.00 0.00 -1.18 0.00 0.00 61.69 60.13 2o5j s THR 196 Cb -0.12 -0.97 -0.01 0.00 1.34 0.00 0.00 72.50 72.74 2o5j s THR 196 CO 0.00 -0.05 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.68 2o5j s LEU 197 N 1.84 2.67 -0.25 4.79 0.20 -0.60 -1.65 118.68 125.68 2o5j s LEU 197 Ca 0.01 -0.37 -0.14 0.00 0.69 0.00 0.00 54.13 54.31 2o5j s LEU 197 Cb -0.16 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 43.95 2o5j s LEU 197 CO -0.07 0.13 0.34 -0.13 -0.29 0.00 0.00 176.35 176.33 2o5j s ARG 198 N 0.57 4.05 -0.10 1.98 0.52 0.32 -2.33 118.95 123.96 2o5j s ARG 198 Ca -0.08 0.01 0.01 0.00 -0.52 0.00 0.00 55.73 55.16 2o5j s ARG 198 Cb -0.16 -3.62 -0.02 0.00 0.52 0.00 0.00 34.95 31.67 2o5j s ARG 198 CO 0.03 -0.19 -0.14 0.42 0.02 0.00 0.00 175.30 175.45 2o5j s ILE 199 N 1.80 3.05 -0.12 1.52 1.01 -0.68 -1.28 121.20 126.51 2o5j s ILE 199 Ca 0.14 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 2o5j s ILE 199 Cb -0.15 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 2o5j s ILE 199 CO 0.09 0.55 -0.01 0.26 0.00 0.00 0.00 174.94 175.83 2o5j s TRP 200 N -0.09 3.11 -0.00 3.97 0.51 -0.17 -1.89 118.94 124.37 2o5j s TRP 200 Ca -0.02 -0.02 0.04 0.00 -2.12 0.00 0.00 56.10 53.99 2o5j s TRP 200 Cb -0.14 -1.89 -0.01 0.00 -0.81 0.00 0.00 33.47 30.62 2o5j s TRP 200 CO 0.04 0.23 -0.14 0.99 -0.51 0.00 0.00 176.95 177.55 2o5j s THR 201 N -0.25 1.12 -1.33 2.01 2.01 0.18 -1.90 115.64 117.48 2o5j s THR 201 Ca 0.05 -0.67 0.09 0.00 0.31 0.00 0.00 61.69 61.47 2o5j s THR 201 Cb -0.12 -0.95 0.14 0.00 0.01 0.00 0.00 72.50 71.58 2o5j s THR 201 CO 0.02 0.27 1.20 -0.90 -0.69 0.00 0.00 174.62 174.52 2o5j n ASP 202 N 2.59 0.00 0.00 3.53 5.75 0.32 -4.12 116.55 124.62 2o5j n ASP 202 Ca -0.15 0.23 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 2o5j n ASP 202 Cb 0.55 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 2o5j n ASP 202 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2o5j n GLY 203 N -0.51 1.57 0.40 6.12 0.00 -1.26 -4.97 105.19 106.53 2o5j n GLY 203 Ca 0.04 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 2o5j n GLY 203 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2o5j h SER 204 N 1.71 -1.58 -1.55 1.61 0.87 -1.88 -3.42 113.55 109.32 2o5j h SER 204 Ca 0.00 0.26 -0.62 0.00 -1.23 0.00 0.00 61.79 60.20 2o5j h SER 204 Cb 0.00 0.71 -0.12 0.00 -0.44 0.00 0.00 62.40 62.55 2o5j h SER 204 CO 0.00 -0.33 -0.57 0.68 -0.53 0.00 0.00 176.83 176.08 2o5j s VAL 205 N -5.80 2.01 0.33 2.23 -7.23 -1.26 -5.15 120.40 105.53 2o5j s VAL 205 Ca -0.14 -1.92 0.07 0.00 -1.81 0.00 0.00 61.98 58.17 2o5j s VAL 205 Cb 0.13 -2.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 2o5j s VAL 205 CO 0.66 0.00 0.46 0.28 -0.31 0.00 0.00 175.10 176.19 2o5j s THR 206 N -2.70 4.08 0.22 5.32 -1.32 -1.26 -4.72 115.64 115.27 2o5j s THR 206 Ca 0.34 -1.01 -0.08 0.00 -1.21 0.00 0.00 61.69 59.73 2o5j s THR 206 Cb 0.08 -3.41 0.17 0.00 -1.51 0.00 0.00 72.50 67.83 2o5j s THR 206 CO 0.18 -0.16 1.85 -0.65 -2.21 0.00 0.00 174.62 173.63 2o5j h PRO 207 N 0.91 0.88 -0.19 7.08 0.11 -1.86 -1.47 132.00 137.45 2o5j h PRO 207 Ca -0.46 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2o5j h PRO 207 Cb 1.26 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2o5j h PRO 207 CO 0.53 0.58 0.06 1.25 -0.21 0.00 0.00 178.00 180.21 2o5j h LEU 208 N 0.90 0.29 -0.77 2.35 5.85 -1.94 -2.15 115.31 119.83 2o5j h LEU 208 Ca 0.31 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2o5j h LEU 208 Cb 0.07 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2o5j h LEU 208 CO -0.13 0.42 0.49 -0.33 -0.34 0.00 0.00 178.44 178.55 2o5j h GLU 209 N 0.14 0.94 0.14 1.25 5.08 -1.91 -2.16 114.58 118.06 2o5j h GLU 209 Ca 0.06 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2o5j h GLU 209 Cb 0.24 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2o5j h GLU 209 CO -0.00 0.62 -0.08 0.00 -1.00 0.00 0.00 179.01 178.55 2o5j h ALA 210 N 1.31 -0.20 -0.96 3.43 0.00 -1.17 -1.40 119.26 120.27 2o5j h ALA 210 Ca 0.30 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2o5j h ALA 210 Cb -0.02 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2o5j h ALA 210 CO -0.10 -0.62 0.63 1.25 0.00 0.00 0.00 179.25 180.42 2o5j h LEU 211 N -0.21 1.07 -0.45 0.00 5.85 -1.21 0.13 115.31 120.49 2o5j h LEU 211 Ca -0.02 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 2o5j h LEU 211 Cb 0.17 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2o5j h LEU 211 CO 0.02 0.75 -0.04 0.78 -0.34 0.00 0.00 178.44 179.62 2o5j h ASN 212 N 1.25 0.82 -0.77 1.25 4.21 -1.25 -0.44 115.58 120.64 2o5j h ASN 212 Ca 0.37 -0.33 -0.01 0.00 1.21 0.00 0.00 56.30 57.55 2o5j h ASN 212 Cb -0.06 -0.22 -0.04 0.00 -1.12 0.00 0.00 38.32 36.88 2o5j h ASN 212 CO -0.10 0.95 0.47 -0.61 -1.29 0.00 0.00 177.43 176.84 2o5j h GLN 213 N 0.67 1.06 0.22 0.81 5.75 -0.72 -2.23 115.11 120.67 2o5j h GLN 213 Ca 0.12 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 2o5j h GLN 213 Cb 0.55 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.88 2o5j h GLN 213 CO 0.03 0.74 -0.11 0.00 -2.65 0.00 0.00 178.83 176.85 2o5j h ALA 214 N 1.44 -0.30 0.00 3.38 0.00 -0.27 -2.13 119.26 121.39 2o5j h ALA 214 Ca 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2o5j h ALA 214 Cb -0.04 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2o5j h ALA 214 CO -0.05 -0.58 -0.11 -0.39 0.00 0.00 0.00 179.25 178.12 2o5j h VAL 215 N -0.48 0.94 -0.11 0.00 -1.51 -1.01 -2.46 116.25 111.62 2o5j h VAL 215 Ca -0.03 -0.39 -0.04 0.00 -1.23 0.00 0.00 66.70 65.01 2o5j h VAL 215 Cb 0.36 1.22 -0.00 0.00 -2.13 0.00 0.00 31.29 30.74 2o5j h VAL 215 CO 0.05 0.11 -0.07 -0.08 -1.23 0.00 0.00 177.57 176.34 2o5j h GLU 216 N 0.00 0.25 0.00 5.19 4.57 -1.24 -1.22 114.58 122.12 2o5j h GLU 216 Ca -0.00 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 2o5j h GLU 216 Cb 0.21 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2o5j h GLU 216 CO 0.01 0.62 -0.10 0.97 -1.18 0.00 0.00 179.01 179.33 2o5j h ILE 217 N -0.12 1.02 -0.01 2.32 2.10 -1.01 0.17 117.51 121.99 2o5j h ILE 217 Ca 0.02 -0.35 -0.04 0.00 1.08 0.00 0.00 64.86 65.57 2o5j h ILE 217 Cb 0.55 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 37.47 2o5j h ILE 217 CO 0.02 0.10 -0.15 0.25 -1.08 0.00 0.00 178.15 177.29 2o5j h LEU 218 N 0.00 0.15 -0.28 2.19 5.85 -1.34 -2.75 115.31 119.13 2o5j h LEU 218 Ca -0.00 -0.73 0.04 0.00 0.84 0.00 0.00 57.88 58.03 2o5j h LEU 218 Cb 0.18 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 2o5j h LEU 218 CO 0.01 0.86 0.06 -0.09 -0.34 0.00 0.00 178.44 178.94 2o5j h ARG 219 N -0.55 0.17 -0.72 1.25 2.43 -0.78 -0.38 114.38 115.81 2o5j h ARG 219 Ca -0.01 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.28 2o5j h ARG 219 Cb 0.87 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.33 2o5j h ARG 219 CO 0.03 0.11 0.48 0.93 -1.51 0.00 0.00 179.97 180.01 2o5j h GLU 220 N 0.17 0.40 0.00 0.20 5.08 -0.76 0.89 114.58 120.57 2o5j h GLU 220 Ca 0.13 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 2o5j h GLU 220 Cb 0.13 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2o5j h GLU 220 CO -0.16 0.27 -0.46 0.45 -1.00 0.00 0.00 179.01 178.11 2o5j h HIS 221 N 0.42 0.00 0.00 4.33 3.86 -0.97 -3.19 115.15 119.60 2o5j h HIS 221 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 2o5j h HIS 221 Cb 0.77 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.24 2o5j h HIS 221 CO -0.00 0.44 0.00 -0.07 0.86 0.00 0.00 177.93 179.16 2o5j h LEU 222 N 0.00 0.00 0.00 2.43 3.38 0.80 -2.91 115.31 119.02 2o5j h LEU 222 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2o5j h LEU 222 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2o5j h LEU 222 CO 0.06 0.00 -0.80 0.41 0.09 0.00 0.00 178.44 178.20 2o5j n THR 223 N -2.41 0.34 1.12 0.22 -1.04 -0.97 -4.07 114.28 107.48 2o5j n THR 223 Ca 0.04 -0.31 0.01 0.00 -2.04 0.00 0.00 64.05 61.75 2o5j n THR 223 Cb 0.36 -0.07 0.08 0.00 -1.82 0.00 0.00 70.33 68.88 2o5j n THR 223 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2o5j n TYR 224 N -2.16 0.00 -1.26 -1.42 4.01 -1.10 -2.51 117.16 112.72 2o5j n TYR 224 Ca 0.02 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.74 2o5j n TYR 224 Cb 0.46 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.71 2o5j n TYR 224 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2o5j n PHE 225 N -0.57 1.31 -0.06 -0.72 0.99 -1.26 -4.72 117.46 112.44 2o5j n PHE 225 Ca 0.02 -1.37 -0.03 0.00 -0.00 0.00 0.00 57.45 56.07 2o5j n PHE 225 Cb 0.01 -0.49 -0.02 0.00 -1.00 0.00 0.00 39.48 37.98 2o5j n PHE 225 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2o5j h SER 226 N 1.35 0.00 -3.35 4.37 0.87 -1.80 -3.45 113.55 111.53 2o5j h SER 226 Ca 0.20 -0.10 -0.67 0.00 -1.23 0.00 0.00 61.79 59.99 2o5j h SER 226 Cb 1.75 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 63.55 2o5j h SER 226 CO 0.43 0.63 0.13 0.54 -0.53 0.00 0.00 176.83 178.03 2o5j s ASN 227 N -5.69 6.26 0.91 6.23 6.03 -1.26 -5.07 114.94 122.35 2o5j s ASN 227 Ca -0.06 -0.67 -0.12 0.00 -1.03 0.00 0.00 52.86 50.98 2o5j s ASN 227 Cb 0.00 -2.31 0.13 0.00 -3.03 0.00 0.00 41.25 36.04 2o5j s ASN 227 CO 0.13 -0.89 1.10 -2.84 -2.03 0.00 0.00 177.10 172.57 2o5j s PRO 228 N 2.84 1.19 0.00 3.55 0.02 -1.26 -5.19 135.00 136.14 2o5j s PRO 228 Ca 0.19 0.56 0.00 0.00 0.02 0.00 0.00 61.00 61.77 2o5j s PRO 228 Cb -0.17 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.53 2o5j s PRO 228 CO 0.15 -2.23 0.00 1.04 -0.33 0.00 0.00 177.00 175.63