#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n2i s ILE 3 N 0.00 4.21 0.80 0.00 1.01 -1.26 -5.01 121.20 120.95 1n2i s ILE 3 Ca 0.00 2.00 -0.14 0.00 0.00 0.00 0.00 60.65 62.51 1n2i s ILE 3 Cb 0.00 -4.28 0.07 0.00 0.01 0.00 0.00 42.46 38.26 1n2i s ILE 3 CO 0.00 0.39 1.09 -2.65 0.00 0.00 0.00 174.94 173.77 1n2i n PRO 4 N 2.16 0.19 -1.90 2.79 -0.02 -1.26 -4.92 135.00 132.04 1n2i n PRO 4 Ca 0.01 0.14 -0.40 0.00 -2.02 0.00 0.00 63.50 61.22 1n2i n PRO 4 Cb 0.48 -2.35 0.01 0.00 -0.02 0.00 0.00 33.50 31.62 1n2i n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n2i s ALA 5 N -2.10 3.27 -0.05 3.55 0.00 -1.26 -4.89 121.76 120.28 1n2i s ALA 5 Ca 0.72 1.38 -0.02 0.00 0.00 0.00 0.00 51.96 54.04 1n2i s ALA 5 Cb -0.30 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.30 1n2i s ALA 5 CO 0.52 -1.04 0.06 0.12 0.00 0.00 0.00 175.76 175.41 1n2i s PHE 6 N -1.22 0.12 -0.40 0.00 5.36 -1.26 -5.05 117.98 115.53 1n2i s PHE 6 Ca 0.59 0.21 -0.10 0.00 -0.96 0.00 0.00 56.93 56.67 1n2i s PHE 6 Cb -0.42 -0.51 0.06 0.00 -0.34 0.00 0.00 43.02 41.81 1n2i s PHE 6 CO 0.54 -0.21 0.24 -1.01 -1.46 0.00 0.00 175.22 173.32 1n2i s HIS 7 N 2.15 3.29 0.52 10.12 3.76 -1.26 -5.08 115.29 128.80 1n2i s HIS 7 Ca 0.05 -1.30 -0.22 0.00 -0.15 0.00 0.00 55.06 53.44 1n2i s HIS 7 Cb -0.12 -2.75 -0.06 0.00 1.11 0.00 0.00 32.58 30.76 1n2i s HIS 7 CO -0.03 -0.77 1.36 -2.30 -0.85 0.00 0.00 174.74 172.14 1n2i n PRO 8 N 4.96 1.79 -0.95 8.40 -0.02 -1.26 -2.35 135.00 145.56 1n2i n PRO 8 Ca -0.11 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1n2i n PRO 8 Cb 0.44 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1n2i n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n2i n GLY 9 N 0.74 0.89 3.51 -1.23 0.00 -1.26 -5.00 105.19 102.83 1n2i n GLY 9 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1n2i n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n2i s GLU 10 N -0.10 1.78 -0.34 1.61 2.02 -0.99 -5.02 118.70 117.65 1n2i s GLU 10 Ca 0.00 -1.78 -0.25 0.00 0.02 0.00 0.00 54.97 52.97 1n2i s GLU 10 Cb 0.00 -1.80 0.01 0.00 0.10 0.00 0.00 34.13 32.44 1n2i s GLU 10 CO 0.00 0.29 0.87 -1.17 0.02 0.00 0.00 175.26 175.27 1n2i s LEU 11 N -3.55 4.05 -0.24 1.80 2.96 -1.25 -4.29 118.68 118.15 1n2i s LEU 11 Ca 0.31 0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 54.76 1n2i s LEU 11 Cb -0.03 -3.19 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 1n2i s LEU 11 CO 0.16 -0.75 0.11 0.20 -1.32 0.00 0.00 176.35 174.75 1n2i s ASN 12 N 1.75 5.63 -0.18 3.68 0.01 0.72 -4.97 114.94 121.57 1n2i s ASN 12 Ca 0.36 -0.04 -0.05 0.00 -0.71 0.00 0.00 52.86 52.42 1n2i s ASN 12 Cb -0.13 -2.01 -0.03 0.00 0.41 0.00 0.00 41.25 39.49 1n2i s ASN 12 CO 0.16 0.03 -0.01 -0.69 -1.51 0.00 0.00 177.10 175.08 1n2i s VAL 13 N 1.24 4.00 -0.03 1.60 1.01 -1.26 -1.30 120.40 125.67 1n2i s VAL 13 Ca 0.06 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1n2i s VAL 13 Cb -0.14 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 1n2i s VAL 13 CO 0.05 0.45 -0.15 -0.31 0.00 0.00 0.00 175.10 175.14 1n2i s TYR 14 N 0.75 1.48 -0.08 5.22 1.51 -0.45 -4.98 117.35 120.80 1n2i s TYR 14 Ca -0.00 -0.38 0.14 0.00 -1.01 0.00 0.00 57.07 55.81 1n2i s TYR 14 Cb -0.14 -0.99 -0.20 0.00 -0.11 0.00 0.00 41.96 40.51 1n2i s TYR 14 CO 0.02 -0.12 0.19 0.43 -1.11 0.00 0.00 175.55 174.96 1n2i n SER 15 N 3.07 1.59 -4.70 2.29 7.64 -1.26 -1.08 113.62 121.17 1n2i n SER 15 Ca -0.17 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.30 1n2i n SER 15 Cb 0.54 1.27 -0.04 0.00 -1.01 0.00 0.00 64.21 64.96 1n2i n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n2i s ALA 16 N -2.69 3.40 0.24 -0.43 0.00 -1.26 -3.83 121.76 117.18 1n2i s ALA 16 Ca -0.06 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.94 1n2i s ALA 16 Cb 0.07 -3.07 0.40 0.00 0.00 0.00 0.00 23.12 20.52 1n2i s ALA 16 CO 0.59 -0.32 1.76 -1.35 0.00 0.00 0.00 175.76 176.45 1n2i h PRO 17 N 7.00 0.55 -0.55 0.00 0.11 -1.92 -1.47 132.00 135.72 1n2i h PRO 17 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1n2i h PRO 17 Cb 1.17 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1n2i h PRO 17 CO 0.78 0.36 0.35 0.78 -0.21 0.00 0.00 178.00 180.06 1n2i h GLY 18 N 0.56 0.78 0.68 -0.55 0.00 -1.96 -1.21 103.07 101.37 1n2i h GLY 18 Ca 0.39 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1n2i h GLY 18 CO -0.32 0.29 -0.02 -0.55 0.00 0.00 0.00 176.54 175.94 1n2i h ASP 19 N 0.75 0.14 0.47 0.19 3.32 -1.68 -1.27 116.42 118.34 1n2i h ASP 19 Ca 0.20 -0.39 -0.08 0.00 0.02 0.00 0.00 57.03 56.78 1n2i h ASP 19 Cb -0.06 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1n2i h ASP 19 CO -0.04 0.50 -0.39 1.62 -1.72 0.00 0.00 179.24 179.20 1n2i h VAL 20 N -0.22 1.19 -0.34 -1.35 3.04 -1.23 -1.60 116.25 115.75 1n2i h VAL 20 Ca 0.02 -1.38 -0.05 0.00 -1.01 0.00 0.00 66.70 64.28 1n2i h VAL 20 Cb 0.44 1.76 -0.01 0.00 -2.01 0.00 0.00 31.29 31.47 1n2i h VAL 20 CO 0.01 0.38 0.03 0.00 -1.01 0.00 0.00 177.57 176.98 1n2i h ALA 21 N 1.61 0.46 -0.27 3.17 0.00 -1.13 0.01 119.26 123.10 1n2i h ALA 21 Ca -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1n2i h ALA 21 Cb 0.73 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1n2i h ALA 21 CO 0.05 0.19 0.09 -0.44 0.00 0.00 0.00 179.25 179.14 1n2i h ASP 22 N 0.41 0.39 -0.33 0.00 3.32 -0.82 -1.44 116.42 117.94 1n2i h ASP 22 Ca 0.10 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1n2i h ASP 22 Cb 0.41 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1n2i h ASP 22 CO 0.01 0.48 0.11 0.58 -1.72 0.00 0.00 179.24 178.70 1n2i h VAL 23 N 0.28 1.21 -0.26 -1.35 2.07 -1.27 -0.42 116.25 116.51 1n2i h VAL 23 Ca 0.09 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 66.98 1n2i h VAL 23 Cb 0.23 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1n2i h VAL 23 CO -0.00 0.23 0.06 -1.28 0.02 0.00 0.00 177.57 176.59 1n2i h SER 24 N 0.38 0.04 -0.36 0.57 0.87 -0.92 0.14 113.55 114.28 1n2i h SER 24 Ca 0.11 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1n2i h SER 24 Cb 0.25 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1n2i h SER 24 CO -0.00 0.05 0.19 -0.09 -0.53 0.00 0.00 176.83 176.45 1n2i h ARG 25 N 0.16 0.50 -0.77 2.24 2.43 -1.16 -0.92 114.38 116.87 1n2i h ARG 25 Ca 0.12 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1n2i h ARG 25 Cb 0.11 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1n2i h ARG 25 CO -0.15 0.43 0.50 0.00 -1.51 0.00 0.00 179.97 179.24 1n2i h ALA 26 N 1.05 1.00 -0.55 2.80 0.00 -0.71 -2.60 119.26 120.24 1n2i h ALA 26 Ca 0.12 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1n2i h ALA 26 Cb 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1n2i h ALA 26 CO -0.02 0.34 -0.06 -0.07 0.00 0.00 0.00 179.25 179.44 1n2i h LEU 27 N 1.00 0.99 -1.95 0.00 3.38 -0.32 -2.42 115.31 115.99 1n2i h LEU 27 Ca 0.30 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1n2i h LEU 27 Cb -0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 1n2i h LEU 27 CO -0.09 1.08 -0.11 -0.09 0.09 0.00 0.00 178.44 179.32 1n2i h ARG 28 N 0.90 0.00 0.00 1.13 2.43 -0.87 -0.63 114.38 117.35 1n2i h ARG 28 Ca 0.15 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1n2i h ARG 28 Cb 0.61 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1n2i h ARG 28 CO 0.04 0.11 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.44 1n2i h LEU 29 N 0.00 0.00 -0.98 3.80 3.38 -1.08 -3.23 115.31 117.20 1n2i h LEU 29 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n2i h LEU 29 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1n2i h LEU 29 CO 0.01 0.06 0.00 0.35 0.09 0.00 0.00 178.44 178.96 1n2i n THR 30 N -3.10 0.06 0.00 0.22 -2.24 -0.28 -4.91 114.28 104.03 1n2i n THR 30 Ca 0.04 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1n2i n THR 30 Cb 0.56 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1n2i n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n2i n GLY 31 N 1.16 1.48 3.62 3.38 0.00 -1.12 -5.09 105.19 108.62 1n2i n GLY 31 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1n2i n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n2i s ARG 32 N -0.27 2.24 -0.23 1.61 1.81 -1.00 -4.90 118.95 118.21 1n2i s ARG 32 Ca 0.00 -1.24 -0.05 0.00 -1.72 0.00 0.00 55.73 52.72 1n2i s ARG 32 Cb 0.00 -2.23 -0.02 0.00 -0.45 0.00 0.00 34.95 32.25 1n2i s ARG 32 CO 0.00 0.43 -0.01 1.03 -0.68 0.00 0.00 175.30 176.07 1n2i s ARG 33 N -3.06 3.48 -0.22 3.54 0.52 -0.30 -4.30 118.95 118.60 1n2i s ARG 33 Ca 0.27 -0.57 -0.25 0.00 -0.52 0.00 0.00 55.73 54.66 1n2i s ARG 33 Cb -0.08 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 1n2i s ARG 33 CO 0.17 -0.18 0.86 0.08 0.02 0.00 0.00 175.30 176.25 1n2i s VAL 34 N 1.48 4.83 -0.14 3.52 1.01 -1.26 -1.34 120.40 128.49 1n2i s VAL 34 Ca 0.06 1.65 -0.04 0.00 0.00 0.00 0.00 61.98 63.64 1n2i s VAL 34 Cb -0.15 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1n2i s VAL 34 CO -0.01 -0.06 -0.01 -0.04 0.00 0.00 0.00 175.10 174.98 1n2i s MET 35 N 2.72 3.51 -0.11 2.72 1.00 -0.39 0.24 119.30 128.98 1n2i s MET 35 Ca 0.37 -0.45 0.02 0.00 0.00 0.00 0.00 55.69 55.63 1n2i s MET 35 Cb -0.16 -2.93 -0.01 0.00 0.00 0.00 0.00 34.83 31.73 1n2i s MET 35 CO 0.08 0.40 -0.17 -1.17 0.00 0.00 0.00 175.02 174.16 1n2i s LEU 36 N -0.05 2.48 -0.36 -0.03 2.96 -0.49 -0.22 118.68 122.97 1n2i s LEU 36 Ca 0.03 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1n2i s LEU 36 Cb -0.13 -1.53 0.11 0.00 0.50 0.00 0.00 46.19 45.14 1n2i s LEU 36 CO 0.02 0.17 0.09 -0.69 -1.32 0.00 0.00 176.35 174.62 1n2i s VAL 37 N 0.28 2.06 0.06 1.68 1.01 0.26 -1.21 120.40 124.55 1n2i s VAL 37 Ca -0.13 -2.33 -0.30 0.00 0.00 0.00 0.00 61.98 59.22 1n2i s VAL 37 Cb -0.16 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1n2i s VAL 37 CO 0.07 -0.65 1.08 -2.84 0.00 0.00 0.00 175.10 172.75 1n2i s PRO 38 N 0.84 4.53 0.22 2.72 0.02 -1.26 -1.69 135.00 140.38 1n2i s PRO 38 Ca 0.12 1.60 -0.05 0.00 0.02 0.00 0.00 61.00 62.68 1n2i s PRO 38 Cb -0.20 -3.38 -0.03 0.00 0.02 0.00 0.00 34.50 30.91 1n2i s PRO 38 CO -0.09 -0.08 0.25 0.95 -0.33 0.00 0.00 177.00 177.70 1n2i s THR 39 N 0.73 0.00 -0.23 0.99 -4.23 -0.50 -4.92 115.64 107.48 1n2i s THR 39 Ca 0.53 -1.79 0.13 0.00 -1.18 0.00 0.00 61.69 59.38 1n2i s THR 39 Cb -0.26 -2.40 0.48 0.00 1.34 0.00 0.00 72.50 71.67 1n2i s THR 39 CO 0.30 0.00 1.40 0.23 -0.54 0.00 0.00 174.62 176.01 1n2i n MET 40 N -0.31 2.10 0.00 3.99 2.81 -1.26 -2.03 117.12 122.42 1n2i n MET 40 Ca 0.01 -3.01 0.00 0.00 -1.81 0.00 0.00 57.70 52.88 1n2i n MET 40 Cb 0.65 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 1n2i n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n2i n GLY 41 N -0.97 -1.16 3.72 3.03 0.00 -1.26 -4.55 105.19 103.99 1n2i n GLY 41 Ca 0.27 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 1n2i n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2i n ALA 42 N 1.48 -2.12 -1.77 4.61 0.00 -1.26 -4.86 120.51 116.60 1n2i n ALA 42 Ca 0.00 -0.18 -0.40 0.00 0.00 0.00 0.00 53.44 52.86 1n2i n ALA 42 Cb 0.00 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.07 1n2i n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n2i s LEU 43 N -6.63 4.33 0.36 0.00 1.43 -1.26 -4.96 118.68 111.95 1n2i s LEU 43 Ca 0.09 2.59 0.07 0.00 -1.03 0.00 0.00 54.13 55.85 1n2i s LEU 43 Cb -0.03 -3.79 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 1n2i s LEU 43 CO 0.83 -0.63 0.25 -1.38 0.23 0.00 0.00 176.35 175.65 1n2i s HIS 44 N -1.22 1.78 0.59 0.29 -3.43 -1.26 -5.00 115.29 107.04 1n2i s HIS 44 Ca 0.52 -1.59 0.29 0.00 -0.80 0.00 0.00 55.06 53.48 1n2i s HIS 44 Cb -0.37 -0.83 1.58 0.00 -1.43 0.00 0.00 32.58 31.53 1n2i s HIS 44 CO 0.48 -0.74 2.01 0.93 -2.00 0.00 0.00 174.74 175.42 1n2i h GLU 45 N 2.01 0.00 -0.34 -0.38 4.39 -1.98 -0.33 114.58 117.95 1n2i h GLU 45 Ca -0.27 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 1n2i h GLU 45 Cb 1.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1n2i h GLU 45 CO 0.40 0.00 0.11 0.78 -1.16 0.00 0.00 179.01 179.14 1n2i h GLY 46 N 0.00 0.58 1.37 -3.84 0.00 -1.91 -1.75 103.07 97.52 1n2i h GLY 46 Ca 0.14 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 1n2i h GLY 46 CO -0.00 0.32 -0.30 0.45 0.00 0.00 0.00 176.54 177.01 1n2i h HIS 47 N 0.40 0.83 0.00 5.60 3.86 -1.49 -2.87 115.15 121.49 1n2i h HIS 47 Ca 0.11 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 1n2i h HIS 47 Cb 0.26 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 1n2i h HIS 47 CO 0.01 0.93 -0.10 -0.07 0.86 0.00 0.00 177.93 179.56 1n2i h LEU 48 N 0.61 0.00 -0.81 2.43 3.38 -1.12 -1.56 115.31 118.23 1n2i h LEU 48 Ca 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1n2i h LEU 48 Cb 0.81 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1n2i h LEU 48 CO 0.07 0.10 -0.11 0.00 0.09 0.00 0.00 178.44 178.59 1n2i h ALA 49 N 1.90 1.00 -0.50 1.53 0.00 -1.08 0.73 119.26 122.84 1n2i h ALA 49 Ca -0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1n2i h ALA 49 Cb 0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1n2i h ALA 49 CO 0.01 0.60 -0.11 -0.07 0.00 0.00 0.00 179.25 179.69 1n2i h LEU 50 N 0.71 0.95 -0.47 0.00 4.07 -1.38 -1.42 115.31 117.78 1n2i h LEU 50 Ca 0.12 -0.36 0.03 0.00 0.08 0.00 0.00 57.88 57.75 1n2i h LEU 50 Cb 0.58 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.03 1n2i h LEU 50 CO 0.04 1.09 0.26 0.58 -1.08 0.00 0.00 178.44 179.32 1n2i h VAL 51 N 0.80 1.01 -0.59 1.22 2.07 -1.03 -1.25 116.25 118.48 1n2i h VAL 51 Ca 0.13 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 1n2i h VAL 51 Cb 0.66 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1n2i h VAL 51 CO 0.05 0.09 0.11 0.03 0.02 0.00 0.00 177.57 177.87 1n2i h ARG 52 N 0.52 0.95 -0.75 1.57 3.08 -0.69 -0.71 114.38 118.34 1n2i h ARG 52 Ca 0.19 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1n2i h ARG 52 Cb 0.06 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1n2i h ARG 52 CO -0.11 0.87 0.36 0.00 -1.07 0.00 0.00 179.97 180.02 1n2i h ALA 53 N 1.22 0.97 -0.43 0.04 0.00 -0.79 -2.59 119.26 117.68 1n2i h ALA 53 Ca 0.19 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1n2i h ALA 53 Cb 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1n2i h ALA 53 CO 0.01 0.54 -0.25 0.00 0.00 0.00 0.00 179.25 179.54 1n2i h ALA 54 N 1.18 0.61 -0.03 0.00 0.00 -0.84 -3.17 119.26 117.01 1n2i h ALA 54 Ca 0.26 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1n2i h ALA 54 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1n2i h ALA 54 CO -0.03 0.62 -0.20 -0.22 0.00 0.00 0.00 179.25 179.41 1n2i h LYS 55 N 0.76 0.04 0.00 0.00 3.64 -0.92 -2.70 116.57 117.40 1n2i h LYS 55 Ca 0.09 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1n2i h LYS 55 Cb 0.83 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1n2i h LYS 55 CO 0.07 0.25 0.00 2.89 -2.27 0.00 0.00 179.45 180.39 1n2i n ARG 56 N -4.28 0.15 -2.14 1.90 1.85 -0.99 -4.73 116.66 108.42 1n2i n ARG 56 Ca -0.02 0.31 -0.42 0.00 -1.00 0.00 0.00 57.85 56.71 1n2i n ARG 56 Cb 0.28 -1.75 -0.03 0.00 -1.05 0.00 0.00 32.46 29.91 1n2i n ARG 56 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1n2i s VAL 57 N -3.18 3.41 0.29 8.89 1.01 -1.02 -4.94 120.40 124.87 1n2i s VAL 57 Ca 0.07 0.91 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 1n2i s VAL 57 Cb 0.11 -3.58 -0.12 0.00 0.00 0.00 0.00 36.38 32.78 1n2i s VAL 57 CO 0.42 0.03 1.51 -2.65 0.00 0.00 0.00 175.10 174.41 1n2i n PRO 58 N 4.87 2.47 -0.98 2.72 -0.02 -1.26 -1.66 135.00 141.13 1n2i n PRO 58 Ca 0.13 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1n2i n PRO 58 Cb 0.42 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1n2i n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n2i n GLY 59 N 1.94 0.61 3.76 -1.23 0.00 -1.26 -4.76 105.19 104.25 1n2i n GLY 59 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1n2i n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n2i s SER 60 N -2.30 5.88 -0.10 1.61 1.04 -0.66 -1.15 113.70 118.01 1n2i s SER 60 Ca 0.00 2.45 0.01 0.00 0.48 0.00 0.00 55.95 58.90 1n2i s SER 60 Cb 0.00 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.52 1n2i s SER 60 CO 0.00 -1.13 -0.13 0.54 0.98 0.00 0.00 173.24 173.50 1n2i s VAL 61 N -1.47 1.36 -0.20 5.02 0.11 -0.45 -4.81 120.40 119.96 1n2i s VAL 61 Ca 0.66 -0.55 -0.13 0.00 -2.93 0.00 0.00 61.98 59.02 1n2i s VAL 61 Cb -0.32 -1.26 -0.05 0.00 -1.53 0.00 0.00 36.38 33.22 1n2i s VAL 61 CO 0.39 0.41 0.27 -0.69 -3.33 0.00 0.00 175.10 172.15 1n2i s VAL 62 N 1.07 5.30 -0.25 2.04 1.01 -1.26 -1.26 120.40 127.04 1n2i s VAL 62 Ca -0.06 0.46 -0.05 0.00 0.00 0.00 0.00 61.98 62.34 1n2i s VAL 62 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1n2i s VAL 62 CO -0.02 0.34 0.01 -0.69 0.00 0.00 0.00 175.10 174.74 1n2i s VAL 63 N 0.88 3.57 -0.23 2.92 1.01 0.69 -2.07 120.40 127.17 1n2i s VAL 63 Ca 0.14 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1n2i s VAL 63 Cb -0.13 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1n2i s VAL 63 CO 0.05 0.25 0.03 -0.69 0.00 0.00 0.00 175.10 174.73 1n2i s VAL 64 N 1.47 3.99 0.03 2.92 1.01 0.09 -0.57 120.40 129.34 1n2i s VAL 64 Ca 0.04 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1n2i s VAL 64 Cb -0.16 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 1n2i s VAL 64 CO -0.01 0.38 0.39 -0.94 0.00 0.00 0.00 175.10 174.92 1n2i s SER 65 N 1.43 6.70 -0.25 3.32 1.04 -0.68 -1.04 113.70 124.23 1n2i s SER 65 Ca 0.05 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.34 1n2i s SER 65 Cb -0.15 -2.21 0.07 0.00 0.10 0.00 0.00 66.02 63.84 1n2i s SER 65 CO 0.01 0.26 -0.01 -0.63 0.98 0.00 0.00 173.24 173.85 1n2i s ILE 66 N -1.23 1.31 -0.24 -1.02 1.01 0.44 -1.40 121.20 120.06 1n2i s ILE 66 Ca 0.28 -1.21 -0.06 0.00 0.00 0.00 0.00 60.65 59.66 1n2i s ILE 66 Cb -0.15 -1.70 0.12 0.00 0.01 0.00 0.00 42.46 40.73 1n2i s ILE 66 CO 0.15 -0.24 0.49 0.12 0.00 0.00 0.00 174.94 175.46 1n2i s PHE 67 N 1.47 -1.04 -0.49 3.97 5.36 -0.86 -4.20 117.98 122.20 1n2i s PHE 67 Ca -0.02 1.64 -0.27 0.00 -0.96 0.00 0.00 56.93 57.33 1n2i s PHE 67 Cb -0.18 0.42 0.03 0.00 -0.34 0.00 0.00 43.02 42.94 1n2i s PHE 67 CO -0.09 -0.61 1.03 0.08 -1.46 0.00 0.00 175.22 174.16 1n2i s VAL 68 N 2.70 4.32 -0.58 3.12 1.01 -1.26 -4.38 120.40 125.34 1n2i s VAL 68 Ca 0.02 0.87 -0.25 0.00 0.00 0.00 0.00 61.98 62.62 1n2i s VAL 68 Cb -0.13 -4.53 0.04 0.00 0.00 0.00 0.00 36.38 31.76 1n2i s VAL 68 CO -0.16 -0.98 1.03 0.21 0.00 0.00 0.00 175.10 175.20 1n2i s ASN 69 N 2.46 6.34 0.50 3.32 2.47 -1.26 -4.93 114.94 123.85 1n2i s ASN 69 Ca 0.41 -0.31 0.18 0.00 0.42 0.00 0.00 52.86 53.55 1n2i s ASN 69 Cb -0.09 -2.47 1.24 0.00 -1.45 0.00 0.00 41.25 38.48 1n2i s ASN 69 CO 0.27 -1.35 2.08 -0.65 -3.72 0.00 0.00 177.10 173.74 1n2i h PRO 70 N 9.44 0.09 0.00 0.43 0.11 -1.97 -2.64 132.00 137.46 1n2i h PRO 70 Ca -0.26 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1n2i h PRO 70 Cb 1.07 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1n2i h PRO 70 CO 1.13 0.06 -0.04 1.98 -0.21 0.00 0.00 178.00 180.92 1n2i h MET 71 N 0.10 0.00 -0.26 1.05 4.05 -1.92 -2.13 114.93 115.82 1n2i h MET 71 Ca 0.11 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 1n2i h MET 71 Cb 0.34 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1n2i h MET 71 CO -0.01 0.04 0.00 0.00 0.23 0.00 0.00 176.91 177.17 1n2i n GLN 72 N -3.39 2.21 -3.34 0.39 10.64 -1.00 -4.19 117.38 118.69 1n2i n GLN 72 Ca -0.02 -1.81 -0.30 0.00 -1.83 0.00 0.00 57.00 53.03 1n2i n GLN 72 Cb 0.17 -1.47 -0.04 0.00 -0.86 0.00 0.00 30.24 28.03 1n2i n GLN 72 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1n2i s PHE 73 N -1.68 3.45 0.81 2.61 0.40 -0.80 -4.69 117.98 118.08 1n2i s PHE 73 Ca 0.35 0.78 -0.09 0.00 -0.60 0.00 0.00 56.93 57.38 1n2i s PHE 73 Cb 0.21 -2.20 0.14 0.00 0.51 0.00 0.00 43.02 41.67 1n2i s PHE 73 CO 0.30 0.20 1.13 0.20 0.70 0.00 0.00 175.22 177.76 1n2i s GLY 74 N -2.77 1.74 0.64 4.36 0.00 -1.26 -4.75 107.32 105.28 1n2i s GLY 74 Ca 0.46 -1.26 0.42 0.00 0.00 0.00 0.00 44.72 44.34 1n2i s GLY 74 CO 0.26 -0.67 2.28 0.00 0.00 0.00 0.00 173.10 174.98 1n2i h ALA 75 N -1.00 1.01 -0.01 3.20 0.00 -1.98 -0.76 119.26 119.73 1n2i h ALA 75 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1n2i h ALA 75 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1n2i h ALA 75 CO 0.46 0.00 -0.16 0.41 0.00 0.00 0.00 179.25 179.96 1n2i n GLY 76 N -0.82 -0.21 3.77 0.00 0.00 -1.26 -5.01 105.19 101.66 1n2i n GLY 76 Ca -0.02 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 1n2i n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n2i s GLY 77 N -1.17 2.87 -0.92 -0.02 0.00 -0.29 -4.97 107.32 102.81 1n2i s GLY 77 Ca 0.07 0.95 -0.13 0.00 0.00 0.00 0.00 44.72 45.61 1n2i s GLY 77 CO 0.20 1.47 0.90 -0.35 0.00 0.00 0.00 173.10 175.32 1n2i s ASP 78 N -1.14 6.92 0.09 1.64 -1.08 -1.26 -4.46 116.67 117.38 1n2i s ASP 78 Ca 0.56 -2.92 -0.26 0.00 -0.52 0.00 0.00 52.55 49.41 1n2i s ASP 78 Cb -0.30 -2.23 -0.13 0.00 -1.46 0.00 0.00 42.92 38.80 1n2i s ASP 78 CO 0.38 -0.52 1.68 0.25 0.52 0.00 0.00 175.17 177.48 1n2i h LEU 79 N 7.67 -0.40 -2.00 -1.34 5.85 -1.93 -2.89 115.31 120.27 1n2i h LEU 79 Ca 0.14 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.98 1n2i h LEU 79 Cb 0.99 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1n2i h LEU 79 CO 0.86 -0.24 0.23 0.44 -0.34 0.00 0.00 178.44 179.38 1n2i h ASP 80 N -0.36 0.00 1.11 1.25 3.32 -2.04 -1.08 116.42 118.62 1n2i h ASP 80 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1n2i h ASP 80 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1n2i h ASP 80 CO -0.01 0.00 -0.05 0.00 -1.72 0.00 0.00 179.24 177.46 1n2i n ALA 81 N -2.60 2.40 -1.77 3.45 0.00 -1.10 -4.88 120.51 116.02 1n2i n ALA 81 Ca 0.05 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 1n2i n ALA 81 Cb 0.40 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 1n2i n ALA 81 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1n2i s TYR 82 N -3.04 2.67 0.25 0.00 5.04 -0.41 -4.90 117.35 116.97 1n2i s TYR 82 Ca 0.13 0.92 -0.31 0.00 -2.44 0.00 0.00 57.07 55.37 1n2i s TYR 82 Cb 0.17 -4.06 -0.13 0.00 0.35 0.00 0.00 41.96 38.29 1n2i s TYR 82 CO 0.57 -3.41 1.52 -2.30 -1.34 0.00 0.00 175.55 170.59 1n2i n PRO 83 N 1.49 2.37 -3.72 4.97 -0.02 -1.26 -5.01 135.00 133.83 1n2i n PRO 83 Ca 0.05 0.84 -0.26 0.00 -2.02 0.00 0.00 63.50 62.12 1n2i n PRO 83 Cb 0.38 -2.58 -0.17 0.00 -0.02 0.00 0.00 33.50 31.11 1n2i n PRO 83 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1n2i s ARG 84 N -0.22 0.50 -0.41 -0.52 0.52 -1.26 -4.53 118.95 113.03 1n2i s ARG 84 Ca 0.68 -0.18 0.09 0.00 -0.52 0.00 0.00 55.73 55.81 1n2i s ARG 84 Cb -0.58 -1.67 0.30 0.00 0.52 0.00 0.00 34.95 33.51 1n2i s ARG 84 CO 0.47 -0.54 0.64 0.25 0.02 0.00 0.00 175.30 176.14 1n2i n THR 85 N 5.13 -0.12 -0.13 0.02 -2.24 -1.26 -5.01 114.28 110.67 1n2i n THR 85 Ca -0.08 -4.39 -0.06 0.00 -2.27 0.00 0.00 64.05 57.24 1n2i n THR 85 Cb 0.48 -1.25 -0.00 0.00 -2.10 0.00 0.00 70.33 67.46 1n2i n THR 85 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1n2i h PRO 86 N 3.55 -0.20 -0.10 -0.78 0.11 -1.99 -0.95 132.00 131.64 1n2i h PRO 86 Ca 0.09 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1n2i h PRO 86 Cb 0.89 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1n2i h PRO 86 CO 0.52 -0.13 0.07 -0.44 -0.21 0.00 0.00 178.00 177.80 1n2i h ASP 87 N -0.21 0.12 -0.36 -2.05 3.45 -2.00 -1.70 116.42 113.68 1n2i h ASP 87 Ca 0.19 -0.02 -0.10 0.00 0.43 0.00 0.00 57.03 57.53 1n2i h ASP 87 Cb 0.52 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.24 1n2i h ASP 87 CO -0.55 0.11 -0.12 -0.78 -1.57 0.00 0.00 179.24 176.33 1n2i h ASP 88 N 0.13 0.80 0.15 6.45 -0.00 -1.95 -2.00 116.42 120.01 1n2i h ASP 88 Ca 0.04 -0.24 -0.00 0.00 -0.00 0.00 0.00 57.03 56.82 1n2i h ASP 88 Cb 0.00 -0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 39.11 1n2i h ASP 88 CO -0.01 0.93 -0.11 0.44 -0.00 0.00 0.00 179.24 180.50 1n2i h ASP 89 N 0.73 -0.28 -0.12 2.28 3.32 -0.93 -0.69 116.42 120.72 1n2i h ASP 89 Ca 0.12 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1n2i h ASP 89 Cb 0.61 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1n2i h ASP 89 CO 0.04 -0.18 0.04 -0.07 -1.72 0.00 0.00 179.24 177.36 1n2i h LEU 90 N -0.27 0.23 -0.57 1.55 3.38 -1.21 -1.18 115.31 117.24 1n2i h LEU 90 Ca -0.01 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1n2i h LEU 90 Cb 0.23 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1n2i h LEU 90 CO -0.00 0.24 -0.06 0.00 0.09 0.00 0.00 178.44 178.71 1n2i h ALA 91 N 1.80 0.77 -0.55 1.53 0.00 -0.76 -0.91 119.26 121.13 1n2i h ALA 91 Ca 0.06 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1n2i h ALA 91 Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1n2i h ALA 91 CO -0.00 0.66 0.02 1.96 0.00 0.00 0.00 179.25 181.89 1n2i h GLN 92 N 0.93 0.96 -0.84 0.00 4.20 -0.02 -1.33 115.11 119.01 1n2i h GLN 92 Ca 0.15 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 1n2i h GLN 92 Cb 0.63 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1n2i h GLN 92 CO 0.04 0.96 0.39 -0.07 -0.67 0.00 0.00 178.83 179.48 1n2i h LEU 93 N 0.85 1.11 -0.41 1.46 3.38 -1.04 -0.97 115.31 119.69 1n2i h LEU 93 Ca 0.16 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1n2i h LEU 93 Cb 0.51 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1n2i h LEU 93 CO 0.02 0.95 0.18 0.03 0.09 0.00 0.00 178.44 179.71 1n2i h ARG 94 N 1.20 0.60 0.00 1.13 3.08 -0.98 -1.62 114.38 117.80 1n2i h ARG 94 Ca 0.29 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1n2i h ARG 94 Cb 0.14 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1n2i h ARG 94 CO -0.03 0.55 -0.07 0.00 -1.07 0.00 0.00 179.97 179.34 1n2i h ALA 95 N 1.03 1.70 -0.01 0.04 0.00 -0.80 -1.60 119.26 119.62 1n2i h ALA 95 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1n2i h ALA 95 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1n2i h ALA 95 CO -0.01 0.09 -0.10 0.39 0.00 0.00 0.00 179.25 179.62 1n2i n GLU 96 N -4.19 1.05 -0.89 0.00 -0.58 -0.41 -4.93 120.64 110.69 1n2i n GLU 96 Ca -0.03 -0.48 0.00 0.00 -0.42 0.00 0.00 57.16 56.23 1n2i n GLU 96 Cb 0.15 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1n2i n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n2i n GLY 97 N 1.23 0.49 3.74 0.62 0.00 -0.60 -5.01 105.19 105.66 1n2i n GLY 97 Ca 0.16 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1n2i n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n2i s VAL 98 N -2.00 3.55 -0.27 1.61 1.01 -0.67 -4.95 120.40 118.67 1n2i s VAL 98 Ca 0.00 1.34 0.22 0.00 0.00 0.00 0.00 61.98 63.54 1n2i s VAL 98 Cb 0.00 -3.86 -0.25 0.00 0.00 0.00 0.00 36.38 32.27 1n2i s VAL 98 CO 0.00 0.24 0.68 -0.62 0.00 0.00 0.00 175.10 175.40 1n2i n GLU 99 N 2.24 0.51 -3.89 2.72 1.02 -1.24 -3.95 120.64 118.04 1n2i n GLU 99 Ca 0.03 -0.11 -0.17 0.00 -0.02 0.00 0.00 57.16 56.89 1n2i n GLU 99 Cb 0.45 -1.57 -0.16 0.00 -0.02 0.00 0.00 31.44 30.14 1n2i n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1n2i s ILE 100 N -3.38 0.15 -0.10 -3.67 1.01 -0.88 -0.20 121.20 114.13 1n2i s ILE 100 Ca -0.03 0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.78 1n2i s ILE 100 Cb 0.14 -0.27 0.00 0.00 0.01 0.00 0.00 42.46 42.34 1n2i s ILE 100 CO 0.87 0.15 -0.24 0.00 0.00 0.00 0.00 174.94 175.73 1n2i s ALA 101 N 1.17 2.18 -0.30 9.38 0.00 -0.42 -0.73 121.76 133.04 1n2i s ALA 101 Ca -0.08 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 1n2i s ALA 101 Cb -0.13 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.18 1n2i s ALA 101 CO -0.02 0.27 0.07 0.12 0.00 0.00 0.00 175.76 176.19 1n2i s PHE 102 N 0.37 3.16 -0.58 0.00 5.36 -0.20 -1.34 117.98 124.75 1n2i s PHE 102 Ca -0.18 -1.17 0.06 0.00 -0.96 0.00 0.00 56.93 54.68 1n2i s PHE 102 Cb -0.18 -2.23 0.23 0.00 -0.34 0.00 0.00 43.02 40.50 1n2i s PHE 102 CO 0.08 -0.63 0.63 0.25 -1.46 0.00 0.00 175.22 174.09 1n2i n THR 103 N 4.82 1.35 -1.92 0.12 -2.24 -0.24 -0.42 114.28 115.75 1n2i n THR 103 Ca -0.14 -4.78 -0.30 0.00 -2.27 0.00 0.00 64.05 56.55 1n2i n THR 103 Cb 0.47 -2.06 0.02 0.00 -2.10 0.00 0.00 70.33 66.66 1n2i n THR 103 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1n2i s PRO 104 N -1.85 3.38 0.51 -0.78 0.04 -1.25 -4.43 135.00 130.62 1n2i s PRO 104 Ca 0.36 0.63 -0.03 0.00 0.04 0.00 0.00 61.00 62.00 1n2i s PRO 104 Cb 0.11 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 1n2i s PRO 104 CO -0.07 -0.68 0.78 0.95 0.04 0.00 0.00 177.00 178.01 1n2i s THR 105 N -3.21 3.98 0.24 1.26 -4.23 -1.26 -4.87 115.64 107.55 1n2i s THR 105 Ca 0.55 -0.20 -0.07 0.00 -1.18 0.00 0.00 61.69 60.80 1n2i s THR 105 Cb -0.11 -3.52 0.22 0.00 1.34 0.00 0.00 72.50 70.43 1n2i s THR 105 CO 0.53 -0.46 1.91 0.74 -0.54 0.00 0.00 174.62 176.80 1n2i h THR 106 N 0.14 1.22 -0.23 3.99 2.02 -1.98 -2.00 112.91 116.07 1n2i h THR 106 Ca -0.46 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.27 1n2i h THR 106 Cb 1.25 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1n2i h THR 106 CO 0.59 0.22 0.02 0.00 0.37 0.00 0.00 175.52 176.72 1n2i h ALA 107 N 1.34 1.60 -0.01 6.16 0.00 -1.94 0.16 119.26 126.57 1n2i h ALA 107 Ca 0.34 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 1n2i h ALA 107 Cb -0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1n2i h ALA 107 CO -0.08 0.30 -0.80 0.00 0.00 0.00 0.00 179.25 178.67 1n2i h ALA 108 N 1.69 0.64 0.09 0.00 0.00 -1.76 -2.04 119.26 117.89 1n2i h ALA 108 Ca 0.08 -0.69 -0.28 0.00 0.00 0.00 0.00 54.91 54.02 1n2i h ALA 108 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1n2i h ALA 108 CO 0.00 0.91 -1.34 0.52 0.00 0.00 0.00 179.25 179.34 1n2i h MET 109 N 0.07 0.19 -2.18 0.00 2.86 -1.03 -3.39 114.93 111.46 1n2i h MET 109 Ca -0.03 -0.33 -0.56 0.00 -2.06 0.00 0.00 59.70 56.72 1n2i h MET 109 Cb 1.40 0.12 -0.41 0.00 0.06 0.00 0.00 31.60 32.77 1n2i h MET 109 CO 0.12 1.09 -0.80 0.66 1.06 0.00 0.00 176.91 179.03 1n2i n TYR 110 N -3.43 2.68 0.29 -0.22 4.02 0.53 -4.90 117.16 116.13 1n2i n TYR 110 Ca -0.11 -3.95 0.16 0.00 -0.01 0.00 0.00 57.90 53.99 1n2i n TYR 110 Cb 1.02 -0.47 0.91 0.00 -0.02 0.00 0.00 39.34 40.77 1n2i n TYR 110 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1n2i h PRO 111 N 3.31 0.00 -0.23 -0.72 0.13 -1.56 -1.74 132.00 131.18 1n2i h PRO 111 Ca 0.13 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 1n2i h PRO 111 Cb 0.67 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1n2i h PRO 111 CO 0.72 0.03 -0.01 -0.25 -0.23 0.00 0.00 178.00 178.26 1n2i n ASP 112 N -3.67 3.45 0.00 1.44 8.00 -1.26 -5.08 116.55 119.42 1n2i n ASP 112 Ca -0.03 -3.13 0.00 0.00 0.71 0.00 0.00 54.79 52.35 1n2i n ASP 112 Cb 0.12 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1n2i n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n2i n GLY 113 N -0.75 0.24 3.56 0.44 0.00 -0.66 -4.45 105.19 103.58 1n2i n GLY 113 Ca 0.22 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1n2i n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n2i s LEU 114 N 0.00 4.25 0.00 0.99 1.43 -1.26 -4.87 118.68 119.22 1n2i s LEU 114 Ca 0.00 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1n2i s LEU 114 Cb 0.00 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.31 1n2i s LEU 114 CO 0.00 -0.77 0.00 -1.14 0.23 0.00 0.00 176.35 174.67 1n2i n ARG 115 N 6.41 0.00 -2.54 1.70 0.63 -1.26 -5.04 116.66 116.56 1n2i n ARG 115 Ca 0.01 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.52 1n2i n ARG 115 Cb 0.48 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.36 1n2i n ARG 115 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1n2i s THR 116 N 0.47 4.21 0.25 5.15 2.01 -1.26 -5.02 115.64 121.44 1n2i s THR 116 Ca 0.00 1.69 0.01 0.00 0.31 0.00 0.00 61.69 63.70 1n2i s THR 116 Cb 0.00 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 1n2i s THR 116 CO 0.00 0.19 0.15 0.42 -0.69 0.00 0.00 174.62 174.69 1n2i s THR 117 N 0.57 0.17 -0.10 -0.82 -4.23 -1.26 -5.13 115.64 104.84 1n2i s THR 117 Ca 0.53 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.94 1n2i s THR 117 Cb -0.27 -2.53 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 1n2i s THR 117 CO 0.31 0.00 0.25 -0.69 -0.54 0.00 0.00 174.62 173.94 1n2i s VAL 118 N -3.90 5.32 -0.37 2.29 1.01 -1.26 -5.06 120.40 118.43 1n2i s VAL 118 Ca 0.38 0.46 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 1n2i s VAL 118 Cb 0.06 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.95 1n2i s VAL 118 CO 0.15 0.55 0.18 -1.58 0.00 0.00 0.00 175.10 174.39 1n2i s GLN 119 N -0.61 2.61 0.96 2.72 2.00 -1.26 -4.67 119.66 121.41 1n2i s GLN 119 Ca 0.17 -1.29 -0.12 0.00 -2.00 0.00 0.00 55.36 52.12 1n2i s GLN 119 Cb -0.13 -3.61 0.17 0.00 0.80 0.00 0.00 33.01 30.23 1n2i s GLN 119 CO 0.06 -0.79 1.09 -2.14 -0.50 0.00 0.00 175.29 173.01 1n2i s PRO 120 N 1.42 0.72 1.20 1.67 0.02 -1.26 -5.04 135.00 133.74 1n2i s PRO 120 Ca 0.01 0.76 -0.20 0.00 0.02 0.00 0.00 61.00 61.59 1n2i s PRO 120 Cb -0.21 -1.75 0.29 0.00 0.02 0.00 0.00 34.50 32.85 1n2i s PRO 120 CO 0.03 -2.59 1.14 0.20 -0.33 0.00 0.00 177.00 175.45 1n2i s GLY 121 N -3.30 1.61 0.66 0.52 0.00 -1.26 -4.87 107.32 100.68 1n2i s GLY 121 Ca 0.65 -1.06 0.40 0.00 0.00 0.00 0.00 44.72 44.70 1n2i s GLY 121 CO 0.58 -0.15 2.29 -0.56 0.00 0.00 0.00 173.10 175.25 1n2i h PRO 122 N -2.58 0.00 -0.07 2.90 0.13 -2.03 -2.13 132.00 128.22 1n2i h PRO 122 Ca -0.43 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1n2i h PRO 122 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1n2i h PRO 122 CO 0.31 0.00 0.06 1.25 -0.23 0.00 0.00 178.00 179.39 1n2i h LEU 123 N 0.00 0.00 -0.52 1.56 5.85 -1.96 -1.56 115.31 118.67 1n2i h LEU 123 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1n2i h LEU 123 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1n2i h LEU 123 CO -0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1n2i n ALA 124 N -2.49 1.46 1.03 1.25 0.00 -0.80 -2.02 120.51 118.95 1n2i n ALA 124 Ca -0.01 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.59 1n2i n ALA 124 Cb 0.16 -1.28 0.04 0.00 0.00 0.00 0.00 19.45 18.37 1n2i n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n2i n ALA 125 N -1.65 4.00 -2.00 0.00 0.00 -0.59 -3.96 120.51 116.30 1n2i n ALA 125 Ca 0.02 -0.55 -0.19 0.00 0.00 0.00 0.00 53.44 52.72 1n2i n ALA 125 Cb 0.15 -0.88 0.02 0.00 0.00 0.00 0.00 19.45 18.74 1n2i n ALA 125 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1n2i s GLU 126 N -2.78 2.71 3.04 0.00 2.02 -0.85 -3.11 118.70 119.73 1n2i s GLU 126 Ca 0.14 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1n2i s GLU 126 Cb 0.17 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.76 1n2i s GLU 126 CO 0.71 -0.46 0.00 1.28 0.02 0.00 0.00 175.26 176.81 1n2i n LEU 127 N -2.06 0.00 0.29 1.80 4.77 -1.26 0.34 117.00 120.88 1n2i n LEU 127 Ca 0.08 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.24 1n2i n LEU 127 Cb 0.59 0.00 0.88 0.00 -2.33 0.00 0.00 43.42 42.57 1n2i n LEU 127 CO 0.42 0.00 1.05 -0.33 -1.33 0.00 0.00 177.39 177.20 1n2i h GLU 128 N 0.00 0.00 0.00 3.23 4.39 -1.92 -2.32 114.58 117.96 1n2i h GLU 128 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1n2i h GLU 128 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1n2i h GLU 128 CO 0.00 0.04 0.00 0.41 -1.16 0.00 0.00 179.01 178.30 1n2i n GLY 129 N -0.56 -1.40 0.36 -3.84 0.00 0.15 -2.74 105.19 97.16 1n2i n GLY 129 Ca -0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 1n2i n GLY 129 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1n2i h GLY 130 N 4.14 -0.94 2.00 -0.02 0.00 -1.35 -1.92 103.07 104.98 1n2i h GLY 130 Ca 0.00 0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.59 1n2i h GLY 130 CO 0.00 -0.34 -0.43 -2.55 0.00 0.00 0.00 176.54 173.22 1n2i h PRO 131 N -0.96 0.00 -2.37 4.80 0.11 -1.76 -3.37 132.00 128.45 1n2i h PRO 131 Ca -0.09 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.42 1n2i h PRO 131 Cb 0.69 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.39 1n2i h PRO 131 CO 0.15 0.43 -0.73 0.54 -0.21 0.00 0.00 178.00 178.18 1n2i n ARG 132 N -3.43 1.78 0.28 1.05 5.12 -1.11 -4.97 116.66 115.38 1n2i n ARG 132 Ca 0.00 -4.19 0.17 0.00 -1.93 0.00 0.00 57.85 51.90 1n2i n ARG 132 Cb 0.59 -1.99 0.90 0.00 -1.16 0.00 0.00 32.46 30.79 1n2i n ARG 132 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1n2i h PRO 133 N 4.55 0.00 -0.01 5.56 0.13 -1.52 -2.42 132.00 138.29 1n2i h PRO 133 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1n2i h PRO 133 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1n2i h PRO 133 CO 0.69 0.00 -0.04 0.25 -0.23 0.00 0.00 178.00 178.67 1n2i n THR 134 N -2.74 0.00 0.08 1.56 -2.24 -1.26 -4.72 114.28 104.95 1n2i n THR 134 Ca -0.02 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.16 1n2i n THR 134 Cb 0.16 1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 69.56 1n2i n THR 134 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1n2i h HIS 135 N 2.03 -0.61 0.00 4.78 6.17 -1.71 -2.76 115.15 123.05 1n2i h HIS 135 Ca 0.00 0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.02 1n2i h HIS 135 Cb 0.45 0.27 -0.01 0.00 2.52 0.00 0.00 27.41 30.64 1n2i h HIS 135 CO 0.00 -0.32 -0.35 0.74 0.71 0.00 0.00 177.93 178.71 1n2i h PHE 136 N -0.38 0.00 -0.65 5.26 -1.00 -1.85 -1.64 116.94 116.68 1n2i h PHE 136 Ca 0.05 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1n2i h PHE 136 Cb 0.44 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.97 1n2i h PHE 136 CO -0.25 0.35 0.35 0.00 -1.61 0.00 0.00 178.31 177.15 1n2i h ALA 137 N 1.65 0.83 -0.57 2.45 0.00 -1.80 0.25 119.26 122.08 1n2i h ALA 137 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1n2i h ALA 137 Cb 0.72 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1n2i h ALA 137 CO 0.05 0.36 0.27 0.78 0.00 0.00 0.00 179.25 180.70 1n2i h GLY 138 N 0.89 0.88 0.89 0.00 0.00 -1.10 -1.04 103.07 103.59 1n2i h GLY 138 Ca 0.23 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1n2i h GLY 138 CO -0.04 0.42 -0.15 -2.08 0.00 0.00 0.00 176.54 174.70 1n2i h VAL 139 N 0.77 0.72 -0.63 4.60 2.07 -0.84 -2.28 116.25 120.66 1n2i h VAL 139 Ca 0.19 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1n2i h VAL 139 Cb 0.13 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1n2i h VAL 139 CO -0.02 0.05 0.34 -0.07 0.02 0.00 0.00 177.57 177.88 1n2i h LEU 140 N -0.53 0.77 -0.17 2.57 4.07 -0.48 -0.14 115.31 121.40 1n2i h LEU 140 Ca -0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 1n2i h LEU 140 Cb 0.40 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 1n2i h LEU 140 CO 0.07 0.63 0.05 0.74 -1.08 0.00 0.00 178.44 178.85 1n2i h THR 141 N 0.88 1.19 -0.06 0.22 2.02 -1.18 -0.54 112.91 115.44 1n2i h THR 141 Ca 0.22 -0.61 -0.13 0.00 0.77 0.00 0.00 66.41 66.66 1n2i h THR 141 Cb 0.04 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1n2i h THR 141 CO -0.04 0.19 -0.57 1.62 0.37 0.00 0.00 175.52 177.09 1n2i h VAL 142 N 0.09 1.38 -0.39 3.16 3.04 -1.14 -2.44 116.25 119.95 1n2i h VAL 142 Ca 0.05 -1.91 -0.12 0.00 -1.01 0.00 0.00 66.70 63.71 1n2i h VAL 142 Cb 0.24 1.97 -0.01 0.00 -2.01 0.00 0.00 31.29 31.48 1n2i h VAL 142 CO -0.00 0.56 -0.23 0.58 -1.01 0.00 0.00 177.57 177.47 1n2i h VAL 143 N 0.14 1.28 -0.39 1.51 2.07 -0.91 -0.28 116.25 119.66 1n2i h VAL 143 Ca -0.00 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.17 1n2i h VAL 143 Cb 1.04 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1n2i h VAL 143 CO 0.08 0.46 0.22 0.25 0.02 0.00 0.00 177.57 178.60 1n2i h LEU 144 N 0.66 0.34 -0.40 2.57 5.85 -1.01 0.11 115.31 123.42 1n2i h LEU 144 Ca 0.08 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1n2i h LEU 144 Cb 0.79 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1n2i h LEU 144 CO 0.06 0.24 0.24 0.11 -0.34 0.00 0.00 178.44 178.76 1n2i h LYS 145 N 0.44 0.55 -0.78 1.25 1.57 -1.17 -0.99 116.57 117.44 1n2i h LYS 145 Ca 0.16 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1n2i h LYS 145 Cb 0.04 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1n2i h LYS 145 CO -0.09 0.42 0.42 -0.07 -0.57 0.00 0.00 179.45 179.55 1n2i h LEU 146 N 0.53 0.98 -0.93 2.94 3.38 -0.56 0.43 115.31 122.09 1n2i h LEU 146 Ca 0.14 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1n2i h LEU 146 Cb 0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1n2i h LEU 146 CO -0.03 0.79 0.16 -0.07 0.09 0.00 0.00 178.44 179.39 1n2i h LEU 147 N 1.09 0.89 -0.35 1.67 3.38 -0.29 -0.83 115.31 120.87 1n2i h LEU 147 Ca 0.27 -0.16 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 1n2i h LEU 147 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1n2i h LEU 147 CO -0.04 0.85 -0.83 1.56 0.09 0.00 0.00 178.44 180.07 1n2i h GLN 148 N 0.91 0.17 0.03 1.13 1.08 -0.37 0.15 115.11 118.22 1n2i h GLN 148 Ca 0.20 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1n2i h GLN 148 Cb 0.30 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1n2i h GLN 148 CO -0.00 0.90 -0.02 0.82 -0.95 0.00 0.00 178.83 179.58 1n2i h ILE 149 N 0.10 1.34 0.00 2.54 2.04 -0.72 -3.35 117.51 119.46 1n2i h ILE 149 Ca -0.03 -1.25 -0.22 0.00 1.00 0.00 0.00 64.86 64.36 1n2i h ILE 149 Cb 1.44 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 39.64 1n2i h ILE 149 CO 0.12 0.31 -1.24 0.58 0.00 0.00 0.00 178.15 177.93 1n2i h VAL 150 N -0.60 1.20 -6.40 1.67 2.07 -1.24 -3.35 116.25 109.60 1n2i h VAL 150 Ca -0.00 -2.90 -0.47 0.00 0.82 0.00 0.00 66.70 64.14 1n2i h VAL 150 Cb 0.55 2.57 0.03 0.00 -1.52 0.00 0.00 31.29 32.92 1n2i h VAL 150 CO 0.01 0.68 -0.93 -1.14 0.02 0.00 0.00 177.57 176.21 1n2i n ARG 151 N -3.18 -1.69 -1.58 1.57 0.63 0.53 -4.76 116.66 108.18 1n2i n ARG 151 Ca -0.07 0.39 -0.30 0.00 -0.92 0.00 0.00 57.85 56.95 1n2i n ARG 151 Cb 0.95 -4.03 0.07 0.00 0.45 0.00 0.00 32.46 29.90 1n2i n ARG 151 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1n2i s PRO 152 N -6.34 2.50 0.06 -0.14 0.04 -1.26 -4.90 135.00 124.96 1n2i s PRO 152 Ca 0.34 0.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.13 1n2i s PRO 152 Cb -0.13 -1.95 -0.27 0.00 0.04 0.00 0.00 34.50 32.18 1n2i s PRO 152 CO 0.88 -1.36 1.08 -0.44 0.04 0.00 0.00 177.00 177.20 1n2i h ASP 153 N -0.91 0.35 -4.51 6.66 3.32 -0.56 -3.44 116.42 117.34 1n2i h ASP 153 Ca -0.46 -0.41 -0.18 0.00 0.02 0.00 0.00 57.03 56.01 1n2i h ASP 153 Cb 1.24 -0.12 -0.23 0.00 0.22 0.00 0.00 39.33 40.44 1n2i h ASP 153 CO 0.58 1.32 -0.65 -0.13 -1.72 0.00 0.00 179.24 178.65 1n2i s ARG 154 N -2.65 0.24 -0.02 3.56 0.52 -1.19 -1.69 118.95 117.72 1n2i s ARG 154 Ca -0.04 -0.32 0.05 0.00 -0.52 0.00 0.00 55.73 54.90 1n2i s ARG 154 Cb 0.07 0.09 -0.01 0.00 0.52 0.00 0.00 34.95 35.63 1n2i s ARG 154 CO 0.87 -0.04 -0.18 0.54 0.02 0.00 0.00 175.30 176.50 1n2i s VAL 155 N -0.88 1.46 -0.13 3.52 0.11 -0.23 -1.39 120.40 122.86 1n2i s VAL 155 Ca -0.10 -0.78 -0.01 0.00 -2.93 0.00 0.00 61.98 58.17 1n2i s VAL 155 Cb -0.06 -1.22 -0.02 0.00 -1.53 0.00 0.00 36.38 33.55 1n2i s VAL 155 CO -0.00 0.41 -0.10 -0.36 -3.33 0.00 0.00 175.10 171.72 1n2i s PHE 156 N -0.35 2.86 0.03 1.54 0.40 -0.35 -0.49 117.98 121.63 1n2i s PHE 156 Ca 0.05 -0.47 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 1n2i s PHE 156 Cb -0.08 -1.85 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 1n2i s PHE 156 CO -0.00 -0.10 -0.10 -0.06 0.70 0.00 0.00 175.22 175.66 1n2i s PHE 157 N 0.19 0.89 0.23 0.36 0.40 -0.40 -4.24 117.98 115.41 1n2i s PHE 157 Ca -0.06 -0.31 -0.21 0.00 -0.60 0.00 0.00 56.93 55.75 1n2i s PHE 157 Cb -0.15 -0.54 -0.08 0.00 0.51 0.00 0.00 43.02 42.76 1n2i s PHE 157 CO 0.04 -0.01 0.75 0.20 0.70 0.00 0.00 175.22 176.90 1n2i s GLY 158 N -0.94 2.66 0.00 4.36 0.00 -1.26 -0.48 107.32 111.66 1n2i s GLY 158 Ca -0.01 0.22 0.12 0.00 0.00 0.00 0.00 44.72 45.04 1n2i s GLY 158 CO 0.01 0.60 1.38 1.18 0.00 0.00 0.00 173.10 176.26 1n2i n GLU 159 N 0.79 0.00 -0.14 2.90 1.02 0.82 -2.59 120.64 123.44 1n2i n GLU 159 Ca -0.02 0.30 -0.04 0.00 -0.02 0.00 0.00 57.16 57.38 1n2i n GLU 159 Cb 0.51 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.47 1n2i n GLU 159 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1n2i h LYS 160 N 0.00 0.21 -3.04 3.49 1.63 -1.90 -2.42 116.57 114.54 1n2i h LYS 160 Ca 0.00 -0.01 -0.78 0.00 -0.85 0.00 0.00 60.65 59.01 1n2i h LYS 160 Cb 0.20 -0.05 -0.30 0.00 -0.60 0.00 0.00 32.23 31.49 1n2i h LYS 160 CO 0.00 0.14 0.49 -0.25 -3.45 0.00 0.00 179.45 176.38 1n2i n ASP 161 N -5.11 5.74 -0.21 4.20 8.00 -1.07 -4.78 116.55 123.33 1n2i n ASP 161 Ca 0.04 -3.30 -0.06 0.00 0.71 0.00 0.00 54.79 52.18 1n2i n ASP 161 Cb 0.21 -1.22 0.03 0.00 -0.02 0.00 0.00 41.12 40.13 1n2i n ASP 161 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1n2i h TYR 162 N 5.66 0.76 -0.71 1.24 3.20 -1.62 -0.56 116.97 124.94 1n2i h TYR 162 Ca 0.19 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 1n2i h TYR 162 Cb 0.70 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 1n2i h TYR 162 CO 0.89 0.51 0.27 0.37 -1.64 0.00 0.00 178.16 178.56 1n2i h GLN 163 N 0.79 1.06 -0.49 1.82 4.15 -1.89 -0.72 115.11 119.83 1n2i h GLN 163 Ca 0.21 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1n2i h GLN 163 Cb -0.04 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 1n2i h GLN 163 CO -0.04 0.87 0.30 0.37 -1.93 0.00 0.00 178.83 178.39 1n2i h GLN 164 N 1.03 0.67 -0.42 1.69 4.15 -1.83 -0.82 115.11 119.58 1n2i h GLN 164 Ca 0.24 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1n2i h GLN 164 Cb 0.21 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 1n2i h GLN 164 CO -0.02 0.49 0.27 1.25 -1.93 0.00 0.00 178.83 178.88 1n2i h LEU 165 N 0.66 0.50 -0.64 -2.39 5.85 -0.52 -0.06 115.31 118.71 1n2i h LEU 165 Ca 0.18 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1n2i h LEU 165 Cb -0.01 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1n2i h LEU 165 CO -0.03 0.39 0.33 0.58 -0.34 0.00 0.00 178.44 179.36 1n2i h VAL 166 N 0.57 1.21 -0.31 1.05 2.07 -0.90 -0.40 116.25 119.53 1n2i h VAL 166 Ca 0.15 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 1n2i h VAL 166 Cb -0.03 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1n2i h VAL 166 CO -0.03 0.24 -0.11 -0.07 0.02 0.00 0.00 177.57 177.62 1n2i h LEU 167 N 0.87 0.50 -0.52 2.57 3.38 -0.72 -0.59 115.31 120.81 1n2i h LEU 167 Ca 0.22 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1n2i h LEU 167 Cb 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1n2i h LEU 167 CO -0.03 0.65 -0.23 0.40 0.09 0.00 0.00 178.44 179.32 1n2i h ILE 168 N 0.48 1.27 -0.71 1.22 1.08 -0.49 -0.47 117.51 119.89 1n2i h ILE 168 Ca 0.09 -1.39 -0.00 0.00 -0.39 0.00 0.00 64.86 63.17 1n2i h ILE 168 Cb 0.48 1.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 1n2i h ILE 168 CO 0.03 0.48 0.43 0.03 -0.69 0.00 0.00 178.15 178.43 1n2i h ARG 169 N 0.83 0.96 -0.49 2.37 3.08 -0.23 -0.52 114.38 120.38 1n2i h ARG 169 Ca 0.11 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1n2i h ARG 169 Cb 0.80 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1n2i h ARG 169 CO 0.07 0.67 -0.06 1.96 -1.07 0.00 0.00 179.97 181.54 1n2i h GLN 170 N 0.98 0.91 -0.25 0.04 4.20 -0.71 -1.70 115.11 118.58 1n2i h GLN 170 Ca 0.26 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1n2i h GLN 170 Cb -0.05 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1n2i h GLN 170 CO -0.05 0.97 0.13 1.25 -0.67 0.00 0.00 178.83 180.46 1n2i h LEU 171 N 0.77 0.19 -0.47 1.46 5.85 -0.51 0.19 115.31 122.79 1n2i h LEU 171 Ca 0.13 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1n2i h LEU 171 Cb 0.60 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1n2i h LEU 171 CO 0.04 0.15 0.12 0.58 -0.34 0.00 0.00 178.44 178.98 1n2i h VAL 172 N 0.27 1.23 0.04 1.05 2.07 -1.05 -0.76 116.25 119.10 1n2i h VAL 172 Ca 0.10 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1n2i h VAL 172 Cb 0.02 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1n2i h VAL 172 CO -0.07 0.29 -0.02 0.00 0.02 0.00 0.00 177.57 177.80 1n2i h ALA 173 N 0.98 -0.05 -0.29 1.67 0.00 -1.07 -1.87 119.26 118.63 1n2i h ALA 173 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1n2i h ALA 173 Cb 0.32 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1n2i h ALA 173 CO 0.00 -0.34 0.14 -0.44 0.00 0.00 0.00 179.25 178.61 1n2i h ASP 174 N -0.43 0.35 -0.56 0.00 3.32 -0.56 -2.72 116.42 115.81 1n2i h ASP 174 Ca -0.01 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1n2i h ASP 174 Cb 0.39 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1n2i h ASP 174 CO 0.01 0.30 0.00 0.49 -1.72 0.00 0.00 179.24 178.32 1n2i n PHE 175 N -4.44 0.75 -3.42 4.55 0.99 -0.30 -4.97 117.46 110.61 1n2i n PHE 175 Ca 0.01 -0.46 -0.25 0.00 -0.00 0.00 0.00 57.45 56.76 1n2i n PHE 175 Cb 0.11 -0.01 0.05 0.00 -1.00 0.00 0.00 39.48 38.62 1n2i n PHE 175 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1n2i n ASN 176 N 1.27 -5.75 -4.74 4.37 4.13 -0.99 -4.94 115.26 108.60 1n2i n ASN 176 Ca 0.20 -0.48 -0.41 0.00 1.68 0.00 0.00 54.58 55.57 1n2i n ASN 176 Cb 0.55 -4.60 -0.04 0.00 -1.54 0.00 0.00 39.78 34.16 1n2i n ASN 176 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1n2i s LEU 177 N -7.00 4.48 -1.14 3.41 1.43 -0.74 -4.95 118.68 114.17 1n2i s LEU 177 Ca 0.48 2.26 -0.06 0.00 -1.03 0.00 0.00 54.13 55.77 1n2i s LEU 177 Cb -0.22 -3.61 0.27 0.00 0.03 0.00 0.00 46.19 42.65 1n2i s LEU 177 CO 0.59 -0.31 1.51 -0.67 0.23 0.00 0.00 176.35 177.70 1n2i n ASP 178 N 2.08 5.94 -3.81 2.29 2.03 -1.26 -4.87 116.55 118.95 1n2i n ASP 178 Ca 0.03 -3.27 -0.12 0.00 0.52 0.00 0.00 54.79 51.95 1n2i n ASP 178 Cb 0.45 -1.35 -0.10 0.00 -0.72 0.00 0.00 41.12 39.39 1n2i n ASP 178 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1n2i s VAL 179 N -1.64 0.04 -0.17 5.18 0.11 -1.26 -4.90 120.40 117.76 1n2i s VAL 179 Ca 0.34 -0.36 -0.16 0.00 -2.93 0.00 0.00 61.98 58.86 1n2i s VAL 179 Cb 0.03 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1n2i s VAL 179 CO 0.05 -0.20 0.41 0.00 -3.33 0.00 0.00 175.10 172.03 1n2i s ALA 180 N -0.75 3.54 -0.18 1.54 0.00 -0.68 -4.98 121.76 120.25 1n2i s ALA 180 Ca -0.08 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.31 1n2i s ALA 180 Cb -0.05 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 1n2i s ALA 180 CO 0.02 -0.12 0.47 0.08 0.00 0.00 0.00 175.76 176.21 1n2i s VAL 181 N 0.92 5.15 -0.18 0.00 1.01 -1.26 -1.07 120.40 124.98 1n2i s VAL 181 Ca 0.21 0.88 -0.00 0.00 0.00 0.00 0.00 61.98 63.07 1n2i s VAL 181 Cb -0.14 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1n2i s VAL 181 CO 0.08 0.24 -0.15 -0.69 0.00 0.00 0.00 175.10 174.58 1n2i s VAL 182 N 1.26 2.57 -0.03 2.92 1.01 0.36 -4.95 120.40 123.54 1n2i s VAL 182 Ca 0.23 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 1n2i s VAL 182 Cb -0.15 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1n2i s VAL 182 CO 0.09 0.51 0.46 -0.83 0.00 0.00 0.00 175.10 175.32 1n2i s GLY 183 N 1.14 2.48 -0.11 4.51 0.00 -1.26 -1.27 107.32 112.80 1n2i s GLY 183 Ca 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.56 1n2i s GLY 183 CO -0.06 0.43 -0.13 0.14 0.00 0.00 0.00 173.10 173.48 1n2i s VAL 184 N -0.44 3.05 0.52 1.40 1.01 0.37 -4.91 120.40 121.40 1n2i s VAL 184 Ca 0.25 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 1n2i s VAL 184 Cb -0.16 -2.26 -0.07 0.00 0.00 0.00 0.00 36.38 33.89 1n2i s VAL 184 CO 0.13 0.54 1.07 -2.65 0.00 0.00 0.00 175.10 174.19 1n2i n PRO 185 N 3.26 1.27 -1.90 2.72 -0.02 -1.26 -0.12 135.00 138.95 1n2i n PRO 185 Ca -0.18 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 1n2i n PRO 185 Cb 0.53 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 1n2i n PRO 185 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1n2i s THR 186 N -1.38 2.57 0.00 3.45 2.01 -1.26 -4.69 115.64 116.34 1n2i s THR 186 Ca 0.70 0.37 -0.21 0.00 0.31 0.00 0.00 61.69 62.86 1n2i s THR 186 Cb -0.47 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 1n2i s THR 186 CO 0.52 0.03 0.63 -0.69 -0.69 0.00 0.00 174.62 174.41 1n2i s VAL 187 N 1.35 4.87 0.16 3.82 1.01 -1.26 -5.01 120.40 125.33 1n2i s VAL 187 Ca 0.71 1.32 0.08 0.00 0.00 0.00 0.00 61.98 64.10 1n2i s VAL 187 Cb -0.44 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1n2i s VAL 187 CO 0.32 0.40 -0.16 -0.13 0.00 0.00 0.00 175.10 175.53 1n2i s ARG 188 N -0.15 1.21 0.90 2.72 0.52 -1.26 -1.17 118.95 121.72 1n2i s ARG 188 Ca 0.33 -1.38 -0.12 0.00 -0.52 0.00 0.00 55.73 54.03 1n2i s ARG 188 Cb -0.19 -1.17 0.13 0.00 0.52 0.00 0.00 34.95 34.24 1n2i s ARG 188 CO 0.18 0.23 1.12 -1.21 0.02 0.00 0.00 175.30 175.64 1n2i s GLU 189 N -2.88 1.25 0.40 3.54 2.02 0.61 -4.86 118.70 118.77 1n2i s GLU 189 Ca 0.15 0.44 0.16 0.00 0.02 0.00 0.00 54.97 55.73 1n2i s GLU 189 Cb -0.05 -1.84 1.03 0.00 0.10 0.00 0.00 34.13 33.38 1n2i s GLU 189 CO 0.05 -2.16 1.82 0.00 0.02 0.00 0.00 175.26 175.00 1n2i h ALA 190 N -1.47 2.13 -0.17 5.21 0.00 -2.01 0.88 119.26 123.84 1n2i h ALA 190 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1n2i h ALA 190 Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1n2i h ALA 190 CO 0.60 -0.46 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 1n2i n ASP 191 N -4.57 1.33 0.00 0.00 5.68 -1.26 -4.92 116.55 112.81 1n2i n ASP 191 Ca 0.21 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.77 1n2i n ASP 191 Cb 0.72 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 1n2i n ASP 191 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n2i n GLY 192 N 1.02 1.67 3.71 6.12 0.00 0.30 -4.88 105.19 113.14 1n2i n GLY 192 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1n2i n GLY 192 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n2i s LEU 193 N 0.00 4.38 0.22 0.99 2.96 -1.26 -4.59 118.68 121.38 1n2i s LEU 193 Ca 0.00 2.85 -0.31 0.00 -0.22 0.00 0.00 54.13 56.44 1n2i s LEU 193 Cb 0.00 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.99 1n2i s LEU 193 CO 0.00 -0.98 1.62 0.00 -1.32 0.00 0.00 176.35 175.67 1n2i s ALA 194 N 1.54 3.82 0.20 5.97 0.00 -1.26 -0.29 121.76 131.74 1n2i s ALA 194 Ca 0.76 1.49 -0.30 0.00 0.00 0.00 0.00 51.96 53.91 1n2i s ALA 194 Cb -0.49 -3.65 -0.09 0.00 0.00 0.00 0.00 23.12 18.89 1n2i s ALA 194 CO 0.33 -0.87 1.39 -1.64 0.00 0.00 0.00 175.76 174.97 1n2i s MET 195 N 0.64 4.32 -0.10 0.00 1.00 -0.31 -4.84 119.30 120.00 1n2i s MET 195 Ca 0.69 2.18 -0.28 0.00 0.00 0.00 0.00 55.69 58.28 1n2i s MET 195 Cb -0.47 -3.17 0.07 0.00 0.00 0.00 0.00 34.83 31.26 1n2i s MET 195 CO 0.36 -0.37 0.65 0.45 0.00 0.00 0.00 175.02 176.11 1n2i s SER 196 N 0.53 -0.64 0.61 3.03 0.15 -1.26 -4.91 113.70 111.21 1n2i s SER 196 Ca 0.60 0.84 0.39 0.00 0.70 0.00 0.00 55.95 58.48 1n2i s SER 196 Cb -0.39 0.74 1.92 0.00 -1.71 0.00 0.00 66.02 66.58 1n2i s SER 196 CO 0.38 -0.50 2.19 0.77 1.20 0.00 0.00 173.24 177.28 1n2i h SER 197 N 3.59 0.00 1.35 5.45 4.64 -1.94 -2.19 113.55 124.46 1n2i h SER 197 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1n2i h SER 197 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1n2i h SER 197 CO 0.31 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.30 1n2i h ARG 198 N 0.00 0.00 -0.06 4.77 3.08 -1.96 -3.23 114.38 116.98 1n2i h ARG 198 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n2i h ARG 198 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1n2i h ARG 198 CO 0.00 0.00 0.03 -0.91 -1.07 0.00 0.00 179.97 178.02 1n2i h ASN 199 N 0.00 0.07 0.70 7.04 2.35 -1.76 -1.56 115.58 122.41 1n2i h ASN 199 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1n2i h ASN 199 Cb 0.67 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1n2i h ASN 199 CO 0.00 0.06 0.00 0.08 -1.65 0.00 0.00 177.43 175.92 1n2i h ARG 200 N 0.08 0.00 0.00 0.81 0.11 -1.77 -2.62 114.38 110.99 1n2i h ARG 200 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1n2i h ARG 200 Cb 0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 1n2i h ARG 200 CO -0.00 0.00 0.00 1.88 0.10 0.00 0.00 179.97 181.95 1n2i h TYR 201 N 0.00 0.00 -3.52 4.08 0.99 -1.51 -3.45 116.97 113.56 1n2i h TYR 201 Ca 0.00 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.21 1n2i h TYR 201 Cb 0.35 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.08 1n2i h TYR 201 CO 0.00 0.00 0.48 -0.51 -0.00 0.00 0.00 178.16 178.13 1n2i s LEU 202 N -4.92 4.47 0.92 3.88 1.43 -0.99 -5.03 118.68 118.45 1n2i s LEU 202 Ca 0.09 2.07 -0.14 0.00 -1.03 0.00 0.00 54.13 55.11 1n2i s LEU 202 Cb 0.10 -3.60 0.15 0.00 0.03 0.00 0.00 46.19 42.88 1n2i s LEU 202 CO 0.58 -0.25 1.20 1.51 0.23 0.00 0.00 176.35 179.63 1n2i s ASP 203 N 0.06 3.43 0.22 2.29 1.47 -1.26 -4.62 116.67 118.26 1n2i s ASP 203 Ca 0.50 0.66 -0.07 0.00 1.18 0.00 0.00 52.55 54.82 1n2i s ASP 203 Cb -0.29 -1.02 0.36 0.00 -0.34 0.00 0.00 42.92 41.63 1n2i s ASP 203 CO 0.34 -2.57 1.73 -0.65 0.68 0.00 0.00 175.17 174.70 1n2i h PRO 204 N -1.52 0.38 -0.66 2.11 0.11 -1.99 0.22 132.00 130.66 1n2i h PRO 204 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1n2i h PRO 204 Cb 1.30 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1n2i h PRO 204 CO 0.53 0.25 0.26 0.00 -0.21 0.00 0.00 178.00 178.83 1n2i h ALA 205 N 1.49 0.86 -0.40 -0.75 0.00 -2.00 -1.72 119.26 116.75 1n2i h ALA 205 Ca 0.36 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1n2i h ALA 205 Cb 0.51 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1n2i h ALA 205 CO -0.37 0.48 -0.34 1.96 0.00 0.00 0.00 179.25 180.98 1n2i h GLN 206 N 0.93 0.91 -0.49 0.00 4.20 -1.76 -1.30 115.11 117.61 1n2i h GLN 206 Ca 0.22 -0.45 -0.06 0.00 0.06 0.00 0.00 58.65 58.42 1n2i h GLN 206 Cb 0.21 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1n2i h GLN 206 CO -0.02 1.10 0.06 -0.09 -0.67 0.00 0.00 178.83 179.21 1n2i h ARG 207 N 0.76 0.77 -0.27 1.46 9.65 -0.37 0.18 114.38 126.56 1n2i h ARG 207 Ca 0.07 -0.18 -0.16 0.00 -1.10 0.00 0.00 59.98 58.62 1n2i h ARG 207 Cb 0.92 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.39 1n2i h ARG 207 CO 0.09 0.74 -0.44 0.00 2.80 0.00 0.00 179.97 183.16 1n2i h ALA 208 N 1.33 0.42 -0.12 2.80 0.00 -1.22 -3.08 119.26 119.39 1n2i h ALA 208 Ca 0.15 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1n2i h ALA 208 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1n2i h ALA 208 CO 0.01 0.55 -0.26 0.00 0.00 0.00 0.00 179.25 179.55 1n2i h ALA 209 N 0.67 1.35 0.00 0.00 0.00 -0.89 -2.92 119.26 117.46 1n2i h ALA 209 Ca 0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1n2i h ALA 209 Cb 1.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1n2i h ALA 209 CO 0.10 0.45 -0.01 0.00 0.00 0.00 0.00 179.25 179.79 1n2i h ALA 210 N 1.55 1.25 0.00 0.00 0.00 -0.55 -1.22 119.26 120.30 1n2i h ALA 210 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n2i h ALA 210 Cb 0.56 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1n2i h ALA 210 CO 0.04 0.02 -0.01 0.28 0.00 0.00 0.00 179.25 179.57 1n2i h VAL 211 N 0.00 0.54 -0.31 0.00 2.07 -1.59 -2.64 116.25 114.32 1n2i h VAL 211 Ca -0.00 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1n2i h VAL 211 Cb 0.06 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1n2i h VAL 211 CO 0.00 0.01 0.21 0.00 0.02 0.00 0.00 177.57 177.82 1n2i h ALA 212 N 1.99 2.00 0.50 1.67 0.00 -1.42 -1.70 119.26 122.30 1n2i h ALA 212 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1n2i h ALA 212 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1n2i h ALA 212 CO 0.00 -0.06 -0.24 -0.07 0.00 0.00 0.00 179.25 178.88 1n2i h LEU 213 N 0.23 -0.57 -0.69 0.00 4.07 -1.69 0.24 115.31 116.90 1n2i h LEU 213 Ca 0.13 0.02 -0.10 0.00 0.08 0.00 0.00 57.88 58.01 1n2i h LEU 213 Cb 0.25 0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 1n2i h LEU 213 CO -0.02 -0.41 -0.08 0.77 -1.08 0.00 0.00 178.44 177.61 1n2i h SER 214 N -0.67 0.92 -0.09 -0.43 4.64 -1.72 -2.01 113.55 114.19 1n2i h SER 214 Ca -0.07 -0.28 -0.09 0.00 -0.47 0.00 0.00 61.79 60.89 1n2i h SER 214 Cb 0.51 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1n2i h SER 214 CO 0.11 1.02 -0.20 0.00 -0.87 0.00 0.00 176.83 176.90 1n2i h ALA 215 N 1.06 1.16 -0.39 5.18 0.00 -1.25 -0.78 119.26 124.25 1n2i h ALA 215 Ca 0.14 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1n2i h ALA 215 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1n2i h ALA 215 CO 0.04 0.53 -0.34 0.00 0.00 0.00 0.00 179.25 179.49 1n2i h ALA 216 N 1.35 0.67 -0.24 0.00 0.00 -0.30 -1.03 119.26 119.71 1n2i h ALA 216 Ca 0.07 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1n2i h ALA 216 Cb 0.59 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1n2i h ALA 216 CO 0.04 0.67 -0.24 -0.07 0.00 0.00 0.00 179.25 179.65 1n2i h LEU 217 N 0.73 0.62 -0.72 0.00 4.07 -1.08 -1.03 115.31 117.91 1n2i h LEU 217 Ca 0.07 -0.48 -0.11 0.00 0.08 0.00 0.00 57.88 57.44 1n2i h LEU 217 Cb 0.91 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 1n2i h LEU 217 CO 0.08 0.97 -0.22 0.71 -1.08 0.00 0.00 178.44 178.90 1n2i h THR 218 N 0.29 1.27 -0.37 0.22 1.35 -1.16 -0.94 112.91 113.57 1n2i h THR 218 Ca 0.04 -1.32 -0.00 0.00 -0.55 0.00 0.00 66.41 64.57 1n2i h THR 218 Cb 0.80 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.41 1n2i h THR 218 CO 0.06 0.44 0.22 0.00 -0.25 0.00 0.00 175.52 175.99 1n2i h ALA 219 N 1.10 0.48 -0.72 6.62 0.00 -1.07 -2.44 119.26 123.23 1n2i h ALA 219 Ca 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1n2i h ALA 219 Cb 0.72 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1n2i h ALA 219 CO 0.06 -0.02 0.37 0.00 0.00 0.00 0.00 179.25 179.66 1n2i h ALA 220 N 1.09 1.31 -0.47 0.00 0.00 -0.95 0.20 119.26 120.45 1n2i h ALA 220 Ca 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1n2i h ALA 220 Cb 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1n2i h ALA 220 CO -0.02 0.55 0.19 0.00 0.00 0.00 0.00 179.25 179.97 1n2i h ALA 221 N 1.41 1.45 0.00 0.00 0.00 -0.72 -1.16 119.26 120.24 1n2i h ALA 221 Ca 0.25 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1n2i h ALA 221 Cb 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1n2i h ALA 221 CO -0.04 0.42 -1.24 0.45 0.00 0.00 0.00 179.25 178.85 1n2i h HIS 222 N 0.67 0.00 0.00 0.00 3.86 -1.00 -3.26 115.15 115.42 1n2i h HIS 222 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1n2i h HIS 222 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1n2i h HIS 222 CO 0.01 0.65 0.00 0.00 0.86 0.00 0.00 177.93 179.45 1n2i h ALA 223 N 1.35 1.00 0.00 2.45 0.00 -0.12 -3.30 119.26 120.65 1n2i h ALA 223 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n2i h ALA 223 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1n2i h ALA 223 CO 0.06 0.00 0.02 0.00 0.00 0.00 0.00 179.25 179.33 1n2i h ALA 224 N 2.12 1.02 0.00 0.00 0.00 -1.27 -0.51 119.26 120.62 1n2i h ALA 224 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1n2i h ALA 224 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1n2i h ALA 224 CO 0.00 -0.02 -0.07 1.79 0.00 0.00 0.00 179.25 180.95 1n2i h THR 225 N 0.00 0.46 -0.28 0.00 1.35 -1.67 0.28 112.91 113.05 1n2i h THR 225 Ca 0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1n2i h THR 225 Cb 0.04 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1n2i h THR 225 CO 0.00 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 175.34 1n2i n ALA 226 N -2.26 2.47 0.00 6.62 0.00 -0.20 -4.41 120.51 122.74 1n2i n ALA 226 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1n2i n ALA 226 Cb 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1n2i n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n2i n GLY 227 N 1.25 2.28 0.22 0.00 0.00 -0.65 -4.57 105.19 103.72 1n2i n GLY 227 Ca 0.17 -2.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 1n2i n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2i h ALA 228 N 0.00 0.63 -0.73 4.61 0.00 -1.82 -2.37 119.26 119.58 1n2i h ALA 228 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1n2i h ALA 228 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1n2i h ALA 228 CO 0.00 0.19 0.22 0.37 0.00 0.00 0.00 179.25 180.03 1n2i h GLN 229 N 0.65 1.14 -0.59 0.00 5.75 -1.96 -0.71 115.11 119.39 1n2i h GLN 229 Ca 0.17 -0.25 -0.06 0.00 -0.15 0.00 0.00 58.65 58.35 1n2i h GLN 229 Cb 0.12 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 1n2i h GLN 229 CO -0.02 0.98 0.12 0.00 -2.65 0.00 0.00 178.83 177.26 1n2i h ALA 230 N 1.11 1.10 -0.32 3.38 0.00 -1.77 0.10 119.26 122.86 1n2i h ALA 230 Ca 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1n2i h ALA 230 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1n2i h ALA 230 CO -0.00 0.59 0.08 0.00 0.00 0.00 0.00 179.25 179.92 1n2i h ALA 231 N 1.24 0.43 -0.43 0.00 0.00 -0.95 0.45 119.26 120.00 1n2i h ALA 231 Ca 0.19 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1n2i h ALA 231 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1n2i h ALA 231 CO 0.00 0.09 0.08 -0.07 0.00 0.00 0.00 179.25 179.35 1n2i h LEU 232 N 0.36 0.67 -0.88 0.00 3.38 -0.83 -1.76 115.31 116.26 1n2i h LEU 232 Ca 0.10 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1n2i h LEU 232 Cb 0.30 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1n2i h LEU 232 CO 0.00 0.75 -0.14 0.44 0.09 0.00 0.00 178.44 179.59 1n2i h ASP 233 N 0.56 0.67 -0.24 -0.43 3.32 -0.65 -1.07 116.42 118.59 1n2i h ASP 233 Ca 0.13 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1n2i h ASP 233 Cb 0.36 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1n2i h ASP 233 CO 0.01 0.83 0.09 0.00 -1.72 0.00 0.00 179.24 178.45 1n2i h ALA 234 N 1.23 0.31 -0.40 3.45 0.00 -0.72 -1.26 119.26 121.87 1n2i h ALA 234 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n2i h ALA 234 Cb 0.59 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1n2i h ALA 234 CO 0.04 -0.09 0.25 0.00 0.00 0.00 0.00 179.25 179.45 1n2i h ALA 235 N 0.93 0.50 -0.80 0.00 0.00 -1.07 -2.30 119.26 116.52 1n2i h ALA 235 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1n2i h ALA 235 Cb 0.19 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1n2i h ALA 235 CO -0.01 -0.02 0.41 -0.09 0.00 0.00 0.00 179.25 179.55 1n2i h ARG 236 N 0.53 1.12 -0.56 0.00 9.65 -1.08 -1.51 114.38 122.53 1n2i h ARG 236 Ca 0.14 -0.14 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1n2i h ARG 236 Cb -0.03 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.31 1n2i h ARG 236 CO -0.03 0.84 0.37 0.00 2.80 0.00 0.00 179.97 183.95 1n2i h ALA 237 N 1.33 0.71 -0.31 2.80 0.00 -0.80 0.30 119.26 123.30 1n2i h ALA 237 Ca 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1n2i h ALA 237 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1n2i h ALA 237 CO -0.04 0.15 0.09 0.28 0.00 0.00 0.00 179.25 179.73 1n2i h VAL 238 N 0.76 1.21 -0.77 0.00 2.07 -1.00 -2.34 116.25 116.18 1n2i h VAL 238 Ca 0.20 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1n2i h VAL 238 Cb -0.09 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1n2i h VAL 238 CO -0.04 0.23 0.41 -0.07 0.02 0.00 0.00 177.57 178.11 1n2i h LEU 239 N 0.33 0.96 -0.55 2.57 3.38 -0.97 -1.74 115.31 119.29 1n2i h LEU 239 Ca 0.10 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1n2i h LEU 239 Cb 0.26 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1n2i h LEU 239 CO -0.00 0.78 0.00 0.47 0.09 0.00 0.00 178.44 179.78 1n2i n ASP 240 N -4.35 0.40 -0.56 -0.43 8.00 0.10 -2.21 116.55 117.51 1n2i n ASP 240 Ca 0.08 0.62 0.12 0.00 0.71 0.00 0.00 54.79 56.32 1n2i n ASP 240 Cb 0.10 -0.69 0.42 0.00 -0.02 0.00 0.00 41.12 40.93 1n2i n ASP 240 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n2i n ALA 241 N -1.67 2.54 -2.58 2.24 0.00 -0.66 -4.88 120.51 115.50 1n2i n ALA 241 Ca 0.02 -0.51 -0.34 0.00 0.00 0.00 0.00 53.44 52.61 1n2i n ALA 241 Cb 0.16 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 18.39 1n2i n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n2i s ALA 242 N -1.87 2.89 0.26 0.00 0.00 -0.94 -5.11 121.76 116.99 1n2i s ALA 242 Ca 0.35 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 51.27 1n2i s ALA 242 Cb 0.19 -1.17 -0.08 0.00 0.00 0.00 0.00 23.12 22.06 1n2i s ALA 242 CO 0.30 0.55 0.64 -1.25 0.00 0.00 0.00 175.76 175.99 1n2i s PRO 243 N -0.72 3.93 -1.55 0.00 0.04 -1.26 -4.30 135.00 131.13 1n2i s PRO 243 Ca 0.11 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1n2i s PRO 243 Cb -0.11 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1n2i s PRO 243 CO 0.01 0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.73 1n2i n GLY 244 N -0.09 0.20 3.06 0.56 0.00 -1.26 -4.84 105.19 102.81 1n2i n GLY 244 Ca 0.01 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1n2i n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n2i s VAL 245 N -2.79 2.74 -0.64 1.61 1.01 -1.26 -4.28 120.40 116.79 1n2i s VAL 245 Ca 0.00 -2.25 -0.23 0.00 0.00 0.00 0.00 61.98 59.50 1n2i s VAL 245 Cb 0.00 -2.95 0.07 0.00 0.00 0.00 0.00 36.38 33.50 1n2i s VAL 245 CO 0.00 -0.65 0.95 0.00 0.00 0.00 0.00 175.10 175.40 1n2i s ALA 246 N 0.97 3.13 -0.06 5.51 0.00 -0.39 -4.90 121.76 126.02 1n2i s ALA 246 Ca 0.10 -1.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.01 1n2i s ALA 246 Cb -0.21 -3.82 -0.03 0.00 0.00 0.00 0.00 23.12 19.05 1n2i s ALA 246 CO -0.06 -2.69 1.27 0.08 0.00 0.00 0.00 175.76 174.35 1n2i s VAL 247 N 4.00 4.12 -0.08 0.00 1.01 -1.26 -0.21 120.40 127.98 1n2i s VAL 247 Ca 0.23 1.44 -0.01 0.00 0.00 0.00 0.00 61.98 63.64 1n2i s VAL 247 Cb -0.16 -3.93 -0.26 0.00 0.00 0.00 0.00 36.38 32.03 1n2i s VAL 247 CO 0.12 -0.03 0.53 0.44 0.00 0.00 0.00 175.10 176.16 1n2i h ASP 248 N 7.73 0.31 -5.01 3.32 3.32 -1.07 -3.48 116.42 121.55 1n2i h ASP 248 Ca -0.34 -0.64 -0.04 0.00 0.02 0.00 0.00 57.03 56.03 1n2i h ASP 248 Cb 1.15 -0.10 -0.15 0.00 0.22 0.00 0.00 39.33 40.46 1n2i h ASP 248 CO 0.90 1.57 0.16 -0.72 -1.72 0.00 0.00 179.24 179.44 1n2i s TYR 249 N -2.58 -0.54 -0.26 4.55 -0.85 -1.16 -4.99 117.35 111.52 1n2i s TYR 249 Ca -0.15 0.56 -0.01 0.00 -0.52 0.00 0.00 57.07 56.94 1n2i s TYR 249 Cb 0.07 0.47 0.13 0.00 0.38 0.00 0.00 41.96 43.01 1n2i s TYR 249 CO 0.80 -0.74 0.34 -1.17 -1.52 0.00 0.00 175.55 173.26 1n2i s LEU 250 N -2.18 -0.50 -0.02 -3.49 2.96 -1.26 -2.13 118.68 112.06 1n2i s LEU 250 Ca -0.03 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1n2i s LEU 250 Cb -0.01 0.86 0.01 0.00 0.50 0.00 0.00 46.19 47.55 1n2i s LEU 250 CO -0.05 -0.34 -0.05 -1.61 -1.32 0.00 0.00 176.35 172.99 1n2i s GLU 251 N 2.47 0.56 -0.23 1.98 2.02 -0.37 -4.98 118.70 120.15 1n2i s GLU 251 Ca 0.10 -0.16 -0.09 0.00 0.02 0.00 0.00 54.97 54.85 1n2i s GLU 251 Cb -0.14 -0.57 -0.04 0.00 0.10 0.00 0.00 34.13 33.47 1n2i s GLU 251 CO -0.23 0.05 0.12 -1.17 0.02 0.00 0.00 175.26 174.05 1n2i s LEU 252 N 0.26 3.86 0.32 1.80 2.96 -1.26 -0.90 118.68 125.73 1n2i s LEU 252 Ca -0.03 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1n2i s LEU 252 Cb -0.07 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1n2i s LEU 252 CO -0.00 0.06 0.12 -0.13 -1.32 0.00 0.00 176.35 175.08 1n2i s ARG 253 N 1.09 1.65 0.98 1.98 1.81 -0.23 -3.56 118.95 122.67 1n2i s ARG 253 Ca 0.06 -1.95 -0.16 0.00 -1.72 0.00 0.00 55.73 51.96 1n2i s ARG 253 Cb -0.14 -0.39 0.19 0.00 -0.45 0.00 0.00 34.95 34.16 1n2i s ARG 253 CO 0.04 -0.38 1.25 0.16 -0.68 0.00 0.00 175.30 175.69 1n2i s ASP 254 N -3.44 2.97 0.57 0.23 1.47 -0.34 -0.58 116.67 117.56 1n2i s ASP 254 Ca 0.33 0.46 0.38 0.00 1.18 0.00 0.00 52.55 54.90 1n2i s ASP 254 Cb 0.06 -0.65 1.85 0.00 -0.34 0.00 0.00 42.92 43.84 1n2i s ASP 254 CO 0.16 -2.84 2.13 0.16 0.68 0.00 0.00 175.17 175.46 1n2i h ILE 255 N -1.71 0.00 -0.65 2.11 3.07 -1.84 -0.22 117.51 118.27 1n2i h ILE 255 Ca -0.45 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 65.75 1n2i h ILE 255 Cb 1.27 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 1n2i h ILE 255 CO 0.43 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.14 1n2i n GLY 256 N -0.62 2.31 2.25 0.16 0.00 -1.26 -4.93 105.19 103.11 1n2i n GLY 256 Ca -0.01 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1n2i n GLY 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n2i n LEU 257 N 1.31 -0.84 0.00 0.99 4.77 -0.09 -5.04 117.00 118.10 1n2i n LEU 257 Ca 0.23 0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 56.26 1n2i n LEU 257 Cb 0.68 -1.57 0.09 0.00 -2.33 0.00 0.00 43.42 40.30 1n2i n LEU 257 CO 0.18 -0.41 0.39 0.61 -1.33 0.00 0.00 177.39 176.84 1n2i n GLY 258 N -1.67 -0.95 3.46 -0.72 0.00 -1.26 -4.73 105.19 99.33 1n2i n GLY 258 Ca -0.10 -1.74 -0.45 0.00 0.00 0.00 0.00 46.02 43.73 1n2i n GLY 258 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n2i n PRO 259 N -2.27 0.50 -1.64 1.61 -0.02 -1.26 -1.19 135.00 130.73 1n2i n PRO 259 Ca 0.08 0.18 -0.50 0.00 -2.02 0.00 0.00 63.50 61.24 1n2i n PRO 259 Cb 0.28 -1.33 -0.05 0.00 -0.02 0.00 0.00 33.50 32.37 1n2i n PRO 259 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1n2i n MET 260 N 0.88 1.63 -2.96 -0.52 0.00 -1.23 -3.24 117.12 111.67 1n2i n MET 260 Ca 0.14 0.59 -0.29 0.00 -0.00 0.00 0.00 57.70 58.14 1n2i n MET 260 Cb 0.31 -2.30 -0.02 0.00 0.00 0.00 0.00 33.22 31.20 1n2i n MET 260 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1n2i s PRO 261 N 1.15 3.68 0.00 2.12 0.05 -1.26 -4.91 135.00 135.82 1n2i s PRO 261 Ca 0.84 0.26 0.22 0.00 0.05 0.00 0.00 61.00 62.36 1n2i s PRO 261 Cb -0.83 -2.47 -0.10 0.00 0.05 0.00 0.00 34.50 31.15 1n2i s PRO 261 CO 0.45 0.00 1.00 1.28 0.05 0.00 0.00 177.00 179.78 1n2i n LEU 262 N -1.42 1.58 -3.58 -3.56 4.77 -1.26 -4.85 117.00 108.69 1n2i n LEU 262 Ca 0.01 -0.65 -0.13 0.00 -0.03 0.00 0.00 56.01 55.20 1n2i n LEU 262 Cb 0.54 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1n2i n LEU 262 CO 0.49 0.32 0.26 0.21 -1.33 0.00 0.00 177.39 177.34 1n2i s ASN 263 N -2.67 -0.42 0.00 -1.43 2.47 -1.26 -4.64 114.94 106.99 1n2i s ASN 263 Ca 0.14 0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.53 1n2i s ASN 263 Cb 0.17 0.49 0.00 0.00 -1.45 0.00 0.00 41.25 40.46 1n2i s ASN 263 CO 0.69 -0.74 0.00 0.61 -3.72 0.00 0.00 177.10 173.94 1n2i n GLY 264 N 0.32 -1.79 3.77 1.21 0.00 -1.01 -4.84 105.19 102.85 1n2i n GLY 264 Ca -0.18 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 1n2i n GLY 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n2i s SER 265 N -4.00 7.42 0.08 1.61 0.01 -1.26 -0.16 113.70 117.39 1n2i s SER 265 Ca 0.00 1.87 -0.02 0.00 1.31 0.00 0.00 55.95 59.11 1n2i s SER 265 Cb 0.00 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.65 1n2i s SER 265 CO 0.00 -0.01 0.14 0.61 0.41 0.00 0.00 173.24 174.39 1n2i n GLY 266 N 0.82 2.30 2.87 3.44 0.00 0.68 -4.14 105.19 111.15 1n2i n GLY 266 Ca 0.01 -1.23 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 1n2i n GLY 266 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n2i s ARG 267 N -2.09 0.20 -0.15 1.61 6.06 0.26 -1.26 118.95 123.57 1n2i s ARG 267 Ca 0.05 -0.00 -0.02 0.00 -2.50 0.00 0.00 55.73 53.25 1n2i s ARG 267 Cb -0.01 -0.28 -0.02 0.00 0.06 0.00 0.00 34.95 34.71 1n2i s ARG 267 CO 0.03 -0.03 -0.07 -1.17 -2.50 0.00 0.00 175.30 171.56 1n2i s LEU 268 N 0.39 3.03 0.02 -0.88 2.96 -0.40 -1.06 118.68 122.74 1n2i s LEU 268 Ca -0.04 -0.23 0.07 0.00 -0.22 0.00 0.00 54.13 53.71 1n2i s LEU 268 Cb -0.06 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 1n2i s LEU 268 CO -0.01 0.15 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.21 1n2i s LEU 269 N 0.48 2.11 0.02 -0.68 1.02 -0.07 -0.96 118.68 120.60 1n2i s LEU 269 Ca -0.05 -0.45 0.00 0.00 0.02 0.00 0.00 54.13 53.65 1n2i s LEU 269 Cb -0.15 -0.98 -0.02 0.00 0.02 0.00 0.00 46.19 45.06 1n2i s LEU 269 CO 0.03 0.19 -0.04 0.54 0.02 0.00 0.00 176.35 177.10 1n2i s VAL 270 N -0.66 0.18 -0.03 -1.59 0.11 -0.23 -1.24 120.40 116.94 1n2i s VAL 270 Ca 0.07 -0.90 -0.03 0.00 -2.93 0.00 0.00 61.98 58.20 1n2i s VAL 270 Cb -0.08 -0.31 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1n2i s VAL 270 CO 0.01 -0.46 0.09 0.00 -3.33 0.00 0.00 175.10 171.41 1n2i s ALA 271 N -1.38 -0.21 0.07 1.54 0.00 -0.91 -1.68 121.76 119.20 1n2i s ALA 271 Ca -0.14 0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.93 1n2i s ALA 271 Cb -0.10 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.89 1n2i s ALA 271 CO -0.01 -0.05 0.37 0.00 0.00 0.00 0.00 175.76 176.07 1n2i s ALA 272 N 0.14 -0.85 -0.16 0.00 0.00 -0.35 -0.37 121.76 120.17 1n2i s ALA 272 Ca -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 1n2i s ALA 272 Cb -0.02 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1n2i s ALA 272 CO -0.00 -0.51 -0.04 1.03 0.00 0.00 0.00 175.76 176.24 1n2i s ARG 273 N -3.03 3.63 -0.33 0.00 0.52 0.70 -0.52 118.95 119.92 1n2i s ARG 273 Ca -0.02 -0.54 0.02 0.00 -0.52 0.00 0.00 55.73 54.67 1n2i s ARG 273 Cb 0.01 -2.92 0.09 0.00 0.52 0.00 0.00 34.95 32.64 1n2i s ARG 273 CO -0.06 0.19 0.04 -0.51 0.02 0.00 0.00 175.30 174.98 1n2i s LEU 274 N 0.49 4.44 0.00 2.53 1.02 0.08 -1.26 118.68 125.98 1n2i s LEU 274 Ca -0.04 -1.84 0.00 0.00 0.02 0.00 0.00 54.13 52.27 1n2i s LEU 274 Cb -0.14 -1.66 0.00 0.00 0.02 0.00 0.00 46.19 44.41 1n2i s LEU 274 CO 0.03 -0.35 0.00 0.61 0.02 0.00 0.00 176.35 176.66 1n2i n GLY 275 N 4.41 3.33 1.04 -3.19 0.00 -1.26 -1.65 105.19 107.86 1n2i n GLY 275 Ca -0.04 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1n2i n GLY 275 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n2i n THR 276 N 0.00 0.88 -3.84 2.61 -2.24 -1.26 -4.93 114.28 105.49 1n2i n THR 276 Ca 0.00 -0.94 -0.36 0.00 -2.27 0.00 0.00 64.05 60.48 1n2i n THR 276 Cb 0.00 0.61 -0.11 0.00 -2.10 0.00 0.00 70.33 68.73 1n2i n THR 276 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1n2i s THR 277 N -1.07 4.65 -0.22 4.28 2.01 -0.66 -5.07 115.64 119.56 1n2i s THR 277 Ca 0.37 -0.07 -0.15 0.00 0.31 0.00 0.00 61.69 62.16 1n2i s THR 277 Cb 0.20 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1n2i s THR 277 CO 0.26 0.37 0.35 -0.60 -0.69 0.00 0.00 174.62 174.32 1n2i s ARG 278 N 1.12 4.12 0.10 4.92 3.52 -1.26 -0.74 118.95 130.73 1n2i s ARG 278 Ca 0.05 0.09 0.08 0.00 -0.13 0.00 0.00 55.73 55.82 1n2i s ARG 278 Cb -0.14 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 1n2i s ARG 278 CO 0.04 -0.07 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.77 1n2i s LEU 279 N 1.43 2.69 0.10 -0.88 1.43 0.32 -4.97 118.68 118.80 1n2i s LEU 279 Ca 0.16 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.80 1n2i s LEU 279 Cb -0.15 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 1n2i s LEU 279 CO 0.08 0.20 -0.13 -0.76 0.23 0.00 0.00 176.35 175.96 1n2i s LEU 280 N -1.96 2.37 0.19 1.79 1.43 -1.26 -1.21 118.68 120.03 1n2i s LEU 280 Ca 0.17 -0.76 -0.22 0.00 -1.03 0.00 0.00 54.13 52.29 1n2i s LEU 280 Cb -0.11 -0.49 0.05 0.00 0.03 0.00 0.00 46.19 45.68 1n2i s LEU 280 CO 0.09 -0.15 0.62 -0.62 0.23 0.00 0.00 176.35 176.51 1n2i s ASP 281 N -2.26 -0.46 0.19 2.29 -1.08 -0.68 -4.85 116.67 109.83 1n2i s ASP 281 Ca 0.05 -0.19 -0.22 0.00 -0.52 0.00 0.00 52.55 51.67 1n2i s ASP 281 Cb -0.06 0.63 0.05 0.00 -1.46 0.00 0.00 42.92 42.08 1n2i s ASP 281 CO 0.02 -1.06 0.63 0.54 0.52 0.00 0.00 175.17 175.81 1n2i s ASN 282 N -2.80 -0.47 0.02 -0.34 2.20 -1.26 -1.07 114.94 111.22 1n2i s ASN 282 Ca 0.04 -0.18 -0.20 0.00 -0.94 0.00 0.00 52.86 51.58 1n2i s ASN 282 Cb -0.02 0.63 0.04 0.00 -2.00 0.00 0.00 41.25 39.90 1n2i s ASN 282 CO -0.07 -1.07 0.45 -0.51 -2.94 0.00 0.00 177.10 172.95 1n2i s ILE 283 N -3.80 0.04 0.34 0.54 2.07 -0.13 -4.98 121.20 115.28 1n2i s ILE 283 Ca 0.04 -0.36 -0.28 0.00 -1.41 0.00 0.00 60.65 58.64 1n2i s ILE 283 Cb -0.02 -0.89 -0.10 0.00 0.13 0.00 0.00 42.46 41.58 1n2i s ILE 283 CO -0.07 -0.20 1.21 0.00 -1.91 0.00 0.00 174.94 173.97 1n2i s ALA 284 N -2.06 3.38 -0.05 1.50 0.00 -1.26 -1.27 121.76 122.00 1n2i s ALA 284 Ca -0.08 1.08 0.02 0.00 0.00 0.00 0.00 51.96 52.99 1n2i s ALA 284 Cb -0.02 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1n2i s ALA 284 CO 0.01 -0.48 -0.10 0.42 0.00 0.00 0.00 175.76 175.61 1n2i s ILE 285 N -1.22 0.92 -0.26 0.00 -1.09 -0.39 -4.84 121.20 114.33 1n2i s ILE 285 Ca 0.50 -0.39 -0.03 0.00 -2.23 0.00 0.00 60.65 58.50 1n2i s ILE 285 Cb -0.35 -0.85 0.02 0.00 -1.58 0.00 0.00 42.46 39.70 1n2i s ILE 285 CO 0.46 0.30 -0.02 -1.61 -1.23 0.00 0.00 174.94 172.84 1n2i s GLU 286 N 0.52 2.86 -0.33 2.79 0.41 -1.26 -0.23 118.70 123.45 1n2i s GLU 286 Ca -0.10 -0.97 -0.25 0.00 -0.41 0.00 0.00 54.97 53.24 1n2i s GLU 286 Cb -0.13 -3.09 0.01 0.00 -1.78 0.00 0.00 34.13 29.13 1n2i s GLU 286 CO 0.02 -0.43 0.88 0.42 -0.49 0.00 0.00 175.26 175.66 1n2i s ILE 287 N 1.36 4.68 0.00 -1.63 -1.09 0.77 -4.52 121.20 120.77 1n2i s ILE 287 Ca 0.00 1.28 0.00 0.00 -2.23 0.00 0.00 60.65 59.70 1n2i s ILE 287 Cb -0.17 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 1n2i s ILE 287 CO -0.03 -0.38 0.00 0.61 -1.23 0.00 0.00 174.94 173.91