#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2i s ILE 3 N 0.00 0.74 0.03 -0.18 -4.36 -1.26 -0.81 121.20 115.36 1d2i s ILE 3 Ca 0.00 -1.14 0.08 0.00 -0.26 0.00 0.00 60.65 59.33 1d2i s ILE 3 Cb 0.00 -0.76 -0.03 0.00 1.25 0.00 0.00 42.46 42.92 1d2i s ILE 3 CO 0.00 -0.32 -0.24 -0.62 0.24 0.00 0.00 174.94 174.01 1d2i s ASP 4 N -1.60 2.82 0.04 4.36 2.15 -0.22 -4.96 116.67 119.26 1d2i s ASP 4 Ca -0.07 -0.53 0.05 0.00 0.43 0.00 0.00 52.55 52.43 1d2i s ASP 4 Cb -0.10 -0.26 -0.02 0.00 -0.30 0.00 0.00 42.92 42.24 1d2i s ASP 4 CO 0.01 0.23 -0.16 -0.63 -0.17 0.00 0.00 175.17 174.45 1d2i s ILE 5 N -0.75 1.25 -0.05 4.11 1.01 -1.26 -0.21 121.20 125.30 1d2i s ILE 5 Ca 0.10 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1d2i s ILE 5 Cb -0.09 -1.11 0.02 0.00 0.01 0.00 0.00 42.46 41.29 1d2i s ILE 5 CO 0.01 0.08 -0.04 -0.89 0.00 0.00 0.00 174.94 174.10 1d2i s THR 6 N -0.80 0.49 -0.12 2.92 2.01 -0.23 -5.00 115.64 114.92 1d2i s THR 6 Ca 0.03 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 1d2i s THR 6 Cb -0.08 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 1d2i s THR 6 CO 0.01 0.23 0.02 -1.81 -0.69 0.00 0.00 174.62 172.38 1d2i s ASP 7 N 1.09 5.35 0.06 3.53 1.01 -1.26 -0.23 116.67 126.22 1d2i s ASP 7 Ca -0.08 0.12 0.10 0.00 0.71 0.00 0.00 52.55 53.40 1d2i s ASP 7 Cb -0.14 -1.66 -0.03 0.00 1.01 0.00 0.00 42.92 42.10 1d2i s ASP 7 CO -0.01 0.31 -0.27 -0.31 0.21 0.00 0.00 175.17 175.11 1d2i s TYR 8 N -0.49 2.31 -1.65 4.23 2.02 0.21 -4.68 117.35 119.30 1d2i s TYR 8 Ca 0.09 -0.41 -0.17 0.00 -0.37 0.00 0.00 57.07 56.22 1d2i s TYR 8 Cb -0.12 -1.36 0.14 0.00 -0.40 0.00 0.00 41.96 40.22 1d2i s TYR 8 CO 0.02 0.17 0.83 0.09 -1.57 0.00 0.00 175.55 175.09 1d2i n ASN 9 N 1.58 -3.60 -2.77 2.29 3.02 -1.26 -2.08 115.26 112.43 1d2i n ASN 9 Ca -0.17 -0.95 -0.21 0.00 -0.03 0.00 0.00 54.58 53.22 1d2i n ASN 9 Cb 0.52 -3.06 0.03 0.00 -0.61 0.00 0.00 39.78 36.66 1d2i n ASN 9 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1d2i n HIS 10 N -4.46 -1.73 -0.16 3.10 8.25 -1.26 -4.42 115.22 114.54 1d2i n HIS 10 Ca 0.05 0.42 0.18 0.00 -0.26 0.00 0.00 57.72 58.12 1d2i n HIS 10 Cb 0.51 -4.26 0.56 0.00 1.12 0.00 0.00 29.99 27.91 1d2i n HIS 10 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1d2i h ALA 11 N 0.95 2.28 0.00 -1.41 0.00 -1.74 -0.57 119.26 118.78 1d2i h ALA 11 Ca -0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1d2i h ALA 11 Cb 1.35 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1d2i h ALA 11 CO 0.54 -0.49 -0.03 0.38 0.00 0.00 0.00 179.25 179.65 1d2i h ASP 12 N 0.30 0.00 0.40 0.00 2.03 -1.89 0.99 116.42 118.25 1d2i h ASP 12 Ca 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.68 1d2i h ASP 12 Cb 1.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 1d2i h ASP 12 CO -0.10 0.03 -0.73 -0.62 -1.03 0.00 0.00 179.24 176.79 1d2i n GLU 13 N -4.41 0.08 -0.09 4.15 1.02 -0.24 -4.39 120.64 116.76 1d2i n GLU 13 Ca -0.03 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.01 1d2i n GLU 13 Cb 0.12 -1.53 -0.11 0.00 -0.02 0.00 0.00 31.44 29.90 1d2i n GLU 13 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1d2i n ILE 14 N -1.64 1.08 -1.98 -3.67 5.41 -0.75 -4.97 119.36 112.84 1d2i n ILE 14 Ca 0.04 -0.55 -0.42 0.00 1.00 0.00 0.00 62.75 62.83 1d2i n ILE 14 Cb 0.36 -0.87 -0.03 0.00 -0.71 0.00 0.00 39.64 38.39 1d2i n ILE 14 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1d2i s LEU 15 N -5.59 4.35 0.14 1.39 2.96 0.27 -4.93 118.68 117.26 1d2i s LEU 15 Ca -0.16 2.38 -0.33 0.00 -0.22 0.00 0.00 54.13 55.80 1d2i s LEU 15 Cb 0.06 -3.55 -0.13 0.00 0.50 0.00 0.00 46.19 43.07 1d2i s LEU 15 CO 0.54 -0.88 1.70 -3.20 -1.32 0.00 0.00 176.35 173.19 1d2i n ASN 16 N 6.03 3.52 0.09 3.68 2.85 -1.26 -4.88 115.26 125.29 1d2i n ASN 16 Ca 0.16 1.05 0.05 0.00 -0.11 0.00 0.00 54.58 55.73 1d2i n ASN 16 Cb 0.41 -1.48 0.49 0.00 1.24 0.00 0.00 39.78 40.45 1d2i n ASN 16 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1d2i h PRO 17 N 6.99 0.35 -0.16 1.20 0.11 -1.97 -0.57 132.00 137.96 1d2i h PRO 17 Ca -0.45 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.41 1d2i h PRO 17 Cb 1.24 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.28 1d2i h PRO 17 CO 0.92 0.25 -0.77 0.37 -0.21 0.00 0.00 178.00 178.57 1d2i h GLN 18 N 0.36 0.78 -0.40 1.05 5.75 -1.99 0.05 115.11 120.71 1d2i h GLN 18 Ca 0.10 -0.63 -0.10 0.00 -0.15 0.00 0.00 58.65 57.87 1d2i h GLN 18 Cb -0.01 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 1d2i h GLN 18 CO -0.02 1.23 -0.15 -0.07 -2.65 0.00 0.00 178.83 177.17 1d2i h LEU 19 N 0.53 0.83 -0.96 -2.39 3.38 -1.81 -2.19 115.31 112.71 1d2i h LEU 19 Ca -0.05 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 1d2i h LEU 19 Cb 1.39 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1d2i h LEU 19 CO 0.16 1.03 0.28 -0.25 0.09 0.00 0.00 178.44 179.75 1d2i h TRP 20 N 0.63 1.05 -0.53 1.13 2.91 -1.06 -2.60 115.95 117.48 1d2i h TRP 20 Ca 0.10 -0.07 -0.03 0.00 1.13 0.00 0.00 58.89 60.02 1d2i h TRP 20 Cb 0.70 -0.32 -0.03 0.00 -0.51 0.00 0.00 29.16 29.00 1d2i h TRP 20 CO 0.05 0.80 0.22 -0.22 -1.03 0.00 0.00 178.44 178.26 1d2i h LYS 21 N 1.02 0.75 -0.50 2.65 3.64 -0.54 0.21 116.57 123.80 1d2i h LYS 21 Ca 0.24 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1d2i h LYS 21 Cb 0.19 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1d2i h LYS 21 CO -0.02 0.61 -0.03 0.93 -2.27 0.00 0.00 179.45 178.67 1d2i h GLU 22 N 0.75 0.87 -0.08 1.90 5.08 -1.03 -0.88 114.58 121.18 1d2i h GLU 22 Ca 0.18 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1d2i h GLU 22 Cb 0.13 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1d2i h GLU 22 CO -0.02 0.89 -0.28 0.82 -1.00 0.00 0.00 179.01 179.41 1d2i h ILE 23 N 0.80 1.41 -0.47 3.13 1.08 -1.15 -3.03 117.51 119.29 1d2i h ILE 23 Ca 0.15 -1.65 -0.00 0.00 -0.39 0.00 0.00 64.86 62.96 1d2i h ILE 23 Cb 0.52 2.26 -0.02 0.00 -3.07 0.00 0.00 36.82 36.51 1d2i h ILE 23 CO 0.03 0.48 0.28 -0.08 -0.69 0.00 0.00 178.15 178.17 1d2i h GLU 24 N -0.14 0.63 -0.61 2.37 4.81 -0.47 -1.79 114.58 119.39 1d2i h GLU 24 Ca -0.01 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1d2i h GLU 24 Cb 0.92 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 1d2i h GLU 24 CO 0.06 0.46 0.24 1.05 -0.73 0.00 0.00 179.01 180.09 1d2i h GLU 25 N 0.62 0.88 -0.39 1.92 4.11 -1.25 0.14 114.58 120.62 1d2i h GLU 25 Ca 0.17 -0.14 -0.04 0.00 0.07 0.00 0.00 59.36 59.42 1d2i h GLU 25 Cb -0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1d2i h GLU 25 CO -0.03 0.72 0.09 1.15 0.07 0.00 0.00 179.01 181.01 1d2i h THR 26 N 0.87 1.23 -0.00 -1.06 2.02 -1.31 -2.14 112.91 112.51 1d2i h THR 26 Ca 0.21 -0.79 -0.14 0.00 0.77 0.00 0.00 66.41 66.46 1d2i h THR 26 Cb 0.17 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1d2i h THR 26 CO -0.02 0.27 -0.65 -0.07 0.37 0.00 0.00 175.52 175.43 1d2i h LEU 27 N 0.49 0.02 -0.44 2.58 3.38 -0.72 -3.13 115.31 117.50 1d2i h LEU 27 Ca 0.12 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 1d2i h LEU 27 Cb 0.32 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1d2i h LEU 27 CO 0.00 0.66 -0.64 -0.07 0.09 0.00 0.00 178.44 178.49 1d2i h LEU 28 N 0.01 0.61 -4.94 1.67 3.38 -0.90 -3.43 115.31 111.72 1d2i h LEU 28 Ca -0.01 -0.36 -0.19 0.00 0.09 0.00 0.00 57.88 57.41 1d2i h LEU 28 Cb 1.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1d2i h LEU 28 CO 0.09 1.09 1.06 1.17 0.09 0.00 0.00 178.44 181.94 1d2i n LYS 29 N -3.92 1.33 -4.23 1.13 4.81 -0.81 -4.82 118.16 111.64 1d2i n LYS 29 Ca -0.04 -0.85 -0.13 0.00 -0.87 0.00 0.00 58.31 56.42 1d2i n LYS 29 Cb 0.66 -2.02 -0.10 0.00 0.02 0.00 0.00 35.03 33.59 1d2i n LYS 29 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1d2i s PRO 31 N 2.71 1.04 0.16 1.64 0.02 -1.26 -5.12 135.00 134.19 1d2i s PRO 31 Ca 0.33 -1.47 -0.31 0.00 0.02 0.00 0.00 61.00 59.57 1d2i s PRO 31 Cb 0.13 -0.37 -0.10 0.00 0.02 0.00 0.00 34.50 34.18 1d2i s PRO 31 CO -0.01 -0.04 1.54 -1.17 -0.33 0.00 0.00 177.00 176.99 1d2i s LEU 32 N -3.15 4.37 -0.18 -5.54 2.96 -1.25 -4.73 118.68 111.16 1d2i s LEU 32 Ca 0.19 2.57 -0.08 0.00 -0.22 0.00 0.00 54.13 56.60 1d2i s LEU 32 Cb 0.05 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 1d2i s LEU 32 CO 0.01 -0.80 0.08 -1.00 -1.32 0.00 0.00 176.35 173.32 1d2i s HIS 33 N 1.16 3.32 0.22 5.38 3.76 -1.26 -0.38 115.29 127.49 1d2i s HIS 33 Ca 0.69 0.19 0.05 0.00 -0.15 0.00 0.00 55.06 55.84 1d2i s HIS 33 Cb -0.43 -2.08 -0.05 0.00 1.11 0.00 0.00 32.58 31.14 1d2i s HIS 33 CO 0.31 0.26 -0.05 0.14 -0.85 0.00 0.00 174.74 174.54 1d2i s VAL 34 N 0.19 1.26 0.29 -0.90 -7.23 0.07 -0.67 120.40 113.40 1d2i s VAL 34 Ca 0.06 -2.08 -0.13 0.00 -1.81 0.00 0.00 61.98 58.02 1d2i s VAL 34 Cb -0.12 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.61 1d2i s VAL 34 CO -0.00 -0.44 0.56 -1.59 -0.31 0.00 0.00 175.10 173.32 1d2i s LYS 35 N -3.79 1.74 0.07 4.82 -2.85 -0.49 -1.73 119.74 117.51 1d2i s LYS 35 Ca 0.25 -1.30 -0.26 0.00 -1.00 0.00 0.00 55.97 53.66 1d2i s LYS 35 Cb 0.04 0.51 -0.06 0.00 -2.06 0.00 0.00 37.83 36.26 1d2i s LYS 35 CO 0.07 -0.75 0.81 0.00 0.10 0.00 0.00 175.35 175.58 1d2i s ALA 36 N -3.64 3.35 0.59 0.59 0.00 -1.26 -0.98 121.76 120.41 1d2i s ALA 36 Ca 0.21 0.35 -0.15 0.00 0.00 0.00 0.00 51.96 52.36 1d2i s ALA 36 Cb -0.02 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1d2i s ALA 36 CO 0.11 0.08 1.04 0.45 0.00 0.00 0.00 175.76 177.43 1d2i s SER 37 N -0.19 5.94 -0.12 0.00 0.15 0.18 -4.82 113.70 114.83 1d2i s SER 37 Ca 0.40 1.74 0.17 0.00 0.70 0.00 0.00 55.95 58.96 1d2i s SER 37 Cb -0.21 -2.52 0.27 0.00 -1.71 0.00 0.00 66.02 61.84 1d2i s SER 37 CO 0.25 -1.06 1.14 -0.67 1.20 0.00 0.00 173.24 174.10 1d2i n ASP 38 N -2.04 2.13 -4.76 5.45 2.03 -1.26 -1.04 116.55 117.06 1d2i n ASP 38 Ca 0.08 -3.01 -0.40 0.00 0.52 0.00 0.00 54.79 51.98 1d2i n ASP 38 Cb 0.53 -0.41 -0.04 0.00 -0.72 0.00 0.00 41.12 40.48 1d2i n ASP 38 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1d2i s GLN 39 N -2.64 4.59 0.28 -0.67 0.74 -1.26 -4.84 119.66 115.86 1d2i s GLN 39 Ca 0.29 1.80 -0.29 0.00 0.05 0.00 0.00 55.36 57.21 1d2i s GLN 39 Cb 0.26 -3.13 -0.13 0.00 1.10 0.00 0.00 33.01 31.10 1d2i s GLN 39 CO 0.02 0.16 1.23 0.00 -0.55 0.00 0.00 175.29 176.16 1d2i n ALA 40 N 1.07 0.57 -0.53 1.58 0.00 -1.26 -1.47 120.51 120.47 1d2i n ALA 40 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1d2i n ALA 40 Cb 0.45 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1d2i n ALA 40 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1d2i n SER 41 N 1.44 0.00 -1.65 0.00 3.41 -1.26 -4.70 113.62 110.85 1d2i n SER 41 Ca 0.09 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.74 1d2i n SER 41 Cb 0.32 -0.77 0.03 0.00 -0.26 0.00 0.00 64.21 63.54 1d2i n SER 41 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1d2i n LYS 42 N -2.00 0.34 -1.83 4.33 2.85 -0.54 -5.08 118.16 116.24 1d2i n LYS 42 Ca 0.00 -2.29 -0.42 0.00 -1.05 0.00 0.00 58.31 54.55 1d2i n LYS 42 Cb 0.00 -0.32 -0.03 0.00 -0.65 0.00 0.00 35.03 34.03 1d2i n LYS 42 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1d2i s VAL 43 N -0.72 2.32 0.00 0.58 1.01 -1.03 -1.50 120.40 121.06 1d2i s VAL 43 Ca 0.33 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1d2i s VAL 43 Cb 0.38 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1d2i s VAL 43 CO -0.15 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.58 1d2i n GLY 44 N 3.88 2.54 3.76 4.51 0.00 -0.21 -4.96 105.19 114.72 1d2i n GLY 44 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1d2i n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d2i s SER 45 N -1.60 5.65 0.15 1.61 1.04 -0.56 -4.54 113.70 115.44 1d2i s SER 45 Ca 0.00 2.49 -0.30 0.00 0.48 0.00 0.00 55.95 58.63 1d2i s SER 45 Cb 0.00 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.44 1d2i s SER 45 CO 0.00 -1.29 0.94 -0.76 0.98 0.00 0.00 173.24 173.11 1d2i s LEU 46 N -3.41 4.55 0.15 2.42 1.43 -1.26 -0.65 118.68 121.91 1d2i s LEU 46 Ca 0.69 1.83 0.02 0.00 -1.03 0.00 0.00 54.13 55.64 1d2i s LEU 46 Cb -0.33 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 1d2i s LEU 46 CO 0.39 0.02 -0.03 0.27 0.23 0.00 0.00 176.35 177.23 1d2i s ILE 47 N -0.43 0.73 0.17 -0.59 -4.36 -0.15 -4.60 121.20 111.96 1d2i s ILE 47 Ca 0.44 -1.97 -0.34 0.00 -0.26 0.00 0.00 60.65 58.52 1d2i s ILE 47 Cb -0.24 -1.95 -0.14 0.00 1.25 0.00 0.00 42.46 41.38 1d2i s ILE 47 CO 0.30 -0.63 1.51 0.33 0.24 0.00 0.00 174.94 176.70 1d2i n PHE 48 N -0.17 2.17 -3.42 1.37 7.35 -0.32 -1.40 117.46 123.03 1d2i n PHE 48 Ca -0.09 0.34 -0.44 0.00 -0.76 0.00 0.00 57.45 56.51 1d2i n PHE 48 Cb 0.62 -2.50 -0.08 0.00 0.35 0.00 0.00 39.48 37.87 1d2i n PHE 48 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1d2i s ASP 49 N 0.73 6.09 0.37 -2.13 2.15 0.15 -4.71 116.67 119.32 1d2i s ASP 49 Ca 0.77 -1.28 0.19 0.00 0.43 0.00 0.00 52.55 52.67 1d2i s ASP 49 Cb -0.70 -2.16 0.64 0.00 -0.30 0.00 0.00 42.92 40.41 1d2i s ASP 49 CO 0.41 -0.60 1.71 1.55 -0.17 0.00 0.00 175.17 178.07 1d2i h PRO 50 N 8.70 0.00 -0.00 4.34 0.13 -1.92 -2.13 132.00 141.11 1d2i h PRO 50 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1d2i h PRO 50 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1d2i h PRO 50 CO 0.84 0.36 -0.00 0.28 -0.23 0.00 0.00 178.00 179.25 1d2i h VAL 51 N 0.00 1.38 -0.81 1.56 2.07 -1.96 -0.43 116.25 118.06 1d2i h VAL 51 Ca -0.00 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 1d2i h VAL 51 Cb 0.93 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 1d2i h VAL 51 CO 0.05 0.29 0.33 1.23 0.02 0.00 0.00 177.57 179.49 1d2i h GLY 52 N -0.47 1.29 0.81 2.17 0.00 -1.95 -1.15 103.07 103.77 1d2i h GLY 52 Ca 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 1d2i h GLY 52 CO 0.00 0.66 0.01 -0.84 0.00 0.00 0.00 176.54 176.37 1d2i h THR 53 N 1.18 1.24 -0.97 4.70 2.02 -1.36 -1.24 112.91 118.48 1d2i h THR 53 Ca 0.27 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1d2i h THR 53 Cb 0.20 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 1d2i h THR 53 CO -0.02 0.24 0.62 0.78 0.37 0.00 0.00 175.52 177.50 1d2i h ASN 54 N 0.06 1.13 -0.20 4.18 2.35 -0.88 -2.10 115.58 120.12 1d2i h ASN 54 Ca 0.05 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 1d2i h ASN 54 Cb 0.35 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1d2i h ASN 54 CO 0.01 0.84 -0.26 -0.61 -1.65 0.00 0.00 177.43 175.76 1d2i h GLN 55 N 1.32 0.68 -0.29 0.81 5.75 -1.07 -1.78 115.11 120.52 1d2i h GLN 55 Ca 0.35 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1d2i h GLN 55 Cb -0.12 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 1d2i h GLN 55 CO -0.07 0.87 0.13 -0.92 -2.65 0.00 0.00 178.83 176.19 1d2i h TYR 56 N 0.59 0.43 -0.54 3.99 5.03 -0.85 -0.04 116.97 125.57 1d2i h TYR 56 Ca 0.08 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.34 1d2i h TYR 56 Cb 0.75 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.87 1d2i h TYR 56 CO 0.03 0.40 0.23 0.82 -1.32 0.00 0.00 178.16 178.32 1d2i h ILE 57 N 0.33 1.21 -0.28 1.81 2.04 -1.27 -1.51 117.51 119.85 1d2i h ILE 57 Ca 0.10 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.32 1d2i h ILE 57 Cb 0.14 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1d2i h ILE 57 CO -0.01 0.25 0.17 0.50 0.00 0.00 0.00 178.15 179.06 1d2i h LYS 58 N 0.73 0.33 0.00 2.37 3.64 -1.10 -0.14 116.57 122.39 1d2i h LYS 58 Ca 0.18 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1d2i h LYS 58 Cb 0.18 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1d2i h LYS 58 CO -0.02 0.22 -0.12 -0.44 -2.27 0.00 0.00 179.45 176.82 1d2i h ASP 59 N 0.34 0.00 0.27 4.20 3.32 -0.56 -2.39 116.42 121.61 1d2i h ASP 59 Ca 0.11 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.82 1d2i h ASP 59 Cb -0.01 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.55 1d2i h ASP 59 CO -0.04 0.12 -1.65 -0.33 -1.72 0.00 0.00 179.24 175.62 1d2i h GLU 60 N 0.00 0.39 0.12 3.56 4.39 -0.92 -3.40 114.58 118.72 1d2i h GLU 60 Ca -0.00 -0.66 -0.30 0.00 0.34 0.00 0.00 59.36 58.74 1d2i h GLU 60 Cb 0.23 0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1d2i h GLU 60 CO 0.02 1.29 -1.47 -0.07 -1.16 0.00 0.00 179.01 177.62 1d2i h LEU 61 N 0.11 0.39 -0.71 1.33 3.38 -0.88 -3.32 115.31 115.61 1d2i h LEU 61 Ca -0.30 -0.51 0.04 0.00 0.09 0.00 0.00 57.88 57.20 1d2i h LEU 61 Cb 2.09 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.67 1d2i h LEU 61 CO 0.19 1.42 0.43 0.58 0.09 0.00 0.00 178.44 181.16 1d2i h VAL 62 N 0.07 1.05 0.00 1.22 2.07 -1.59 -0.26 116.25 118.82 1d2i h VAL 62 Ca -0.22 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1d2i h VAL 62 Cb 2.01 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1d2i h VAL 62 CO 0.17 0.15 0.00 -2.65 0.02 0.00 0.00 177.57 175.26 1d2i n PRO 63 N -4.69 0.16 -0.47 1.57 -0.02 -1.26 -1.27 135.00 129.02 1d2i n PRO 63 Ca 0.08 0.46 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 1d2i n PRO 63 Cb 0.12 -1.85 0.29 0.00 -0.02 0.00 0.00 33.50 32.03 1d2i n PRO 63 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1d2i n LYS 64 N -2.16 3.07 -1.36 -0.52 5.02 -0.16 -4.92 118.16 117.12 1d2i n LYS 64 Ca 0.01 -2.28 -0.06 0.00 -2.02 0.00 0.00 58.31 53.96 1d2i n LYS 64 Cb 0.17 -1.72 -0.02 0.00 -0.02 0.00 0.00 35.03 33.44 1d2i n LYS 64 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1d2i n HIS 65 N 0.94 -0.06 -3.15 2.13 8.25 -0.40 -5.03 115.22 117.91 1d2i n HIS 65 Ca 0.21 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.28 1d2i n HIS 65 Cb 0.70 -1.46 -0.05 0.00 1.12 0.00 0.00 29.99 30.30 1d2i n HIS 65 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1d2i s TRP 66 N -2.24 3.69 0.17 4.41 0.52 -0.87 -4.85 118.94 119.77 1d2i s TRP 66 Ca 0.00 1.26 -0.21 0.00 0.02 0.00 0.00 56.10 57.17 1d2i s TRP 66 Cb 0.00 -2.66 -0.08 0.00 -1.15 0.00 0.00 33.47 29.58 1d2i s TRP 66 CO 0.00 0.33 0.70 0.15 0.02 0.00 0.00 176.95 178.15 1d2i s LYS 67 N -0.13 4.34 -0.10 4.98 1.02 0.20 -4.15 119.74 125.90 1d2i s LYS 67 Ca 0.33 0.93 -0.06 0.00 0.02 0.00 0.00 55.97 57.18 1d2i s LYS 67 Cb -0.19 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1d2i s LYS 67 CO 0.19 0.52 0.14 1.21 -0.92 0.00 0.00 175.35 176.48 1d2i s ASN 68 N -1.36 6.31 -1.22 2.83 3.84 -1.26 -1.42 114.94 122.67 1d2i s ASN 68 Ca 0.37 0.43 -0.13 0.00 0.21 0.00 0.00 52.86 53.75 1d2i s ASN 68 Cb -0.19 -2.02 -0.01 0.00 -0.55 0.00 0.00 41.25 38.48 1d2i s ASN 68 CO 0.22 0.39 0.71 0.59 -2.79 0.00 0.00 177.10 176.22 1d2i n ASN 69 N 1.85 -3.66 -4.69 -4.21 5.03 0.11 -4.90 115.26 104.79 1d2i n ASN 69 Ca -0.19 -0.97 -0.42 0.00 0.87 0.00 0.00 54.58 53.87 1d2i n ASN 69 Cb 0.55 -3.51 -0.03 0.00 -1.02 0.00 0.00 39.78 35.77 1d2i n ASN 69 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1d2i s ILE 70 N -3.60 3.41 0.57 2.41 1.01 -0.66 -4.71 121.20 119.62 1d2i s ILE 70 Ca 0.30 0.81 -0.20 0.00 0.00 0.00 0.00 60.65 61.56 1d2i s ILE 70 Cb -0.10 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1d2i s ILE 70 CO 0.85 -0.01 1.24 -2.16 0.00 0.00 0.00 174.94 174.87 1d2i s PRO 71 N 2.58 3.08 -0.00 2.79 0.04 -1.26 -1.25 135.00 140.97 1d2i s PRO 71 Ca 0.69 1.92 -0.18 0.00 0.04 0.00 0.00 61.00 63.47 1d2i s PRO 71 Cb -0.35 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.08 1d2i s PRO 71 CO 0.29 -1.14 0.51 0.42 0.04 0.00 0.00 177.00 177.11 1d2i s ILE 72 N -1.51 4.95 0.43 0.56 1.01 0.19 -4.84 121.20 121.99 1d2i s ILE 72 Ca 0.75 1.05 -0.25 0.00 0.00 0.00 0.00 60.65 62.20 1d2i s ILE 72 Cb -0.33 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.21 1d2i s ILE 72 CO 0.37 0.49 1.20 -2.65 0.00 0.00 0.00 174.94 174.34 1d2i n PRO 73 N 2.34 1.74 -0.30 2.79 -0.02 -1.26 -4.76 135.00 135.53 1d2i n PRO 73 Ca -0.10 0.62 0.24 0.00 -2.02 0.00 0.00 63.50 62.24 1d2i n PRO 73 Cb 0.51 -2.29 0.55 0.00 -0.02 0.00 0.00 33.50 32.26 1d2i n PRO 73 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1d2i h LYS 74 N 1.89 0.31 0.00 -0.52 6.56 -1.96 1.00 116.57 123.85 1d2i h LYS 74 Ca -0.47 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1d2i h LYS 74 Cb 1.31 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 1d2i h LYS 74 CO 0.59 0.21 0.00 2.89 -2.06 0.00 0.00 179.45 181.08 1d2i n ARG 75 N -4.53 0.15 -0.18 3.15 1.85 -1.26 -1.70 116.66 114.15 1d2i n ARG 75 Ca 0.24 0.44 0.09 0.00 -1.00 0.00 0.00 57.85 57.61 1d2i n ARG 75 Cb 0.90 -1.83 0.13 0.00 -1.05 0.00 0.00 32.46 30.62 1d2i n ARG 75 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1d2i n PHE 76 N -2.12 0.00 0.22 2.89 3.72 0.31 -4.81 117.46 117.68 1d2i n PHE 76 Ca 0.02 -0.96 0.17 0.00 -0.05 0.00 0.00 57.45 56.63 1d2i n PHE 76 Cb 0.18 -0.15 0.85 0.00 -0.94 0.00 0.00 39.48 39.42 1d2i n PHE 76 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1d2i h ASP 77 N 0.12 0.00 0.62 4.37 3.04 -0.95 0.17 116.42 123.80 1d2i h ASP 77 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1d2i h ASP 77 Cb 1.05 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.34 1d2i h ASP 77 CO 0.00 0.00 0.00 2.22 -2.04 0.00 0.00 179.24 179.42 1d2i n PHE 78 N -3.69 0.00 0.79 4.15 1.16 -1.26 -2.08 117.46 116.52 1d2i n PHE 78 Ca 0.01 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.71 1d2i n PHE 78 Cb 0.31 -0.47 0.15 0.00 -1.61 0.00 0.00 39.48 37.86 1d2i n PHE 78 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1d2i n LEU 79 N -1.47 0.61 0.00 5.98 4.77 0.61 -5.05 117.00 122.45 1d2i n LEU 79 Ca 0.05 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1d2i n LEU 79 Cb 0.21 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1d2i n LEU 79 CO 0.17 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1d2i n GLY 80 N 1.43 0.61 0.10 -0.72 0.00 -0.88 -4.98 105.19 100.74 1d2i n GLY 80 Ca 0.04 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 1d2i n GLY 80 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1d2i n THR 81 N -1.77 1.36 -3.63 2.61 -2.24 -1.26 -4.49 114.28 104.86 1d2i n THR 81 Ca 0.00 -0.80 -0.09 0.00 -2.27 0.00 0.00 64.05 60.89 1d2i n THR 81 Cb 0.00 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 67.61 1d2i n THR 81 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1d2i s ASP 82 N -5.56 -0.40 0.02 3.42 1.47 -1.26 -0.64 116.67 113.72 1d2i s ASP 82 Ca -0.13 -0.28 0.06 0.00 1.18 0.00 0.00 52.55 53.37 1d2i s ASP 82 Cb 0.06 0.63 -0.03 0.00 -0.34 0.00 0.00 42.92 43.24 1d2i s ASP 82 CO 0.78 -1.10 -0.15 0.27 0.68 0.00 0.00 175.17 175.64 1d2i s ILE 83 N -3.75 3.02 0.13 2.11 -4.36 -0.38 -4.87 121.20 113.09 1d2i s ILE 83 Ca 0.06 -1.02 -0.27 0.00 -0.26 0.00 0.00 60.65 59.17 1d2i s ILE 83 Cb -0.03 -2.26 -0.05 0.00 1.25 0.00 0.00 42.46 41.36 1d2i s ILE 83 CO -0.03 0.39 1.62 0.44 0.24 0.00 0.00 174.94 177.60 1d2i h ASP 84 N 4.67 -0.91 -5.22 4.36 3.32 -1.89 -1.69 116.42 119.06 1d2i h ASP 84 Ca -0.47 0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.60 1d2i h ASP 84 Cb 1.16 0.37 -0.14 0.00 0.22 0.00 0.00 39.33 40.94 1d2i h ASP 84 CO 0.49 -0.37 -0.39 -0.36 -1.72 0.00 0.00 179.24 176.90 1d2i s PHE 85 N -6.02 0.31 -0.13 4.55 0.08 -0.66 0.06 117.98 116.17 1d2i s PHE 85 Ca -0.15 -0.72 -0.30 0.00 0.12 0.00 0.00 56.93 55.88 1d2i s PHE 85 Cb 0.09 -0.10 0.10 0.00 -0.57 0.00 0.00 43.02 42.53 1d2i s PHE 85 CO 0.65 -0.60 0.84 0.20 -0.10 0.00 0.00 175.22 176.22 1d2i s GLY 86 N -2.91 -0.42 -0.19 4.36 0.00 -0.51 -0.92 107.32 106.73 1d2i s GLY 86 Ca 0.11 1.78 -0.10 0.00 0.00 0.00 0.00 44.72 46.51 1d2i s GLY 86 CO -0.06 1.13 0.45 1.25 0.00 0.00 0.00 173.10 175.87 1d2i s LYS 87 N -0.89 0.42 4.50 2.90 2.20 -0.62 -0.63 119.74 127.62 1d2i s LYS 87 Ca -0.05 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.46 1d2i s LYS 87 Cb -0.01 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1d2i s LYS 87 CO 0.05 -0.17 0.00 0.54 -0.36 0.00 0.00 175.35 175.40 1d2i n ARG 88 N 4.50 0.00 -0.58 4.03 1.74 -1.26 -1.15 116.66 123.94 1d2i n ARG 88 Ca -0.20 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1d2i n ARG 88 Cb 0.55 0.00 0.35 0.00 -1.02 0.00 0.00 32.46 32.34 1d2i n ARG 88 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1d2i n ASP 89 N 6.77 4.59 -4.26 0.55 5.75 -1.26 -1.53 116.55 127.16 1d2i n ASP 89 Ca 0.00 -2.37 -0.32 0.00 -0.01 0.00 0.00 54.79 52.09 1d2i n ASP 89 Cb 0.00 -0.57 -0.16 0.00 -1.03 0.00 0.00 41.12 39.36 1d2i n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1d2i s THR 90 N -1.72 2.28 0.02 2.12 2.01 -0.30 -0.88 115.64 119.17 1d2i s THR 90 Ca 0.50 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1d2i s THR 90 Cb 0.31 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 1d2i s THR 90 CO 0.26 0.55 0.04 -0.22 -0.69 0.00 0.00 174.62 174.56 1d2i s LEU 91 N 0.32 3.70 -0.02 4.42 0.20 -0.77 -1.58 118.68 124.93 1d2i s LEU 91 Ca -0.17 0.03 0.02 0.00 0.69 0.00 0.00 54.13 54.71 1d2i s LEU 91 Cb -0.17 -2.21 0.00 0.00 -0.43 0.00 0.00 46.19 43.38 1d2i s LEU 91 CO 0.08 0.25 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.62 1d2i s VAL 92 N -1.20 0.71 -0.08 1.68 1.01 -0.10 -0.56 120.40 121.87 1d2i s VAL 92 Ca 0.23 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1d2i s VAL 92 Cb -0.12 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.63 1d2i s VAL 92 CO 0.14 0.23 -0.17 -1.61 0.00 0.00 0.00 175.10 173.69 1d2i s GLU 93 N 0.23 2.25 -0.31 2.72 0.41 -0.20 -1.65 118.70 122.15 1d2i s GLU 93 Ca -0.03 -0.61 -0.09 0.00 -0.41 0.00 0.00 54.97 53.82 1d2i s GLU 93 Cb -0.08 -1.78 -0.01 0.00 -1.78 0.00 0.00 34.13 30.48 1d2i s GLU 93 CO 0.00 0.10 0.15 0.08 -0.49 0.00 0.00 175.26 175.11 1d2i s VAL 94 N 0.49 4.57 -0.33 2.63 1.01 -1.26 -0.71 120.40 126.79 1d2i s VAL 94 Ca -0.16 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1d2i s VAL 94 Cb -0.16 -3.33 0.10 0.00 0.00 0.00 0.00 36.38 32.99 1d2i s VAL 94 CO 0.06 0.07 0.08 -1.58 0.00 0.00 0.00 175.10 173.73 1d2i s GLN 95 N 1.61 1.13 0.00 2.72 2.00 0.13 -4.87 119.66 122.39 1d2i s GLN 95 Ca 0.04 -1.54 0.04 0.00 -2.00 0.00 0.00 55.36 51.91 1d2i s GLN 95 Cb -0.17 -2.62 0.11 0.00 0.80 0.00 0.00 33.01 31.13 1d2i s GLN 95 CO 0.06 -0.97 1.08 1.19 -0.50 0.00 0.00 175.29 176.14 1d2i n PHE 96 N 4.47 0.17 -0.53 1.67 3.72 -1.26 -4.63 117.46 121.06 1d2i n PHE 96 Ca 0.01 -0.48 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 1d2i n PHE 96 Cb 0.41 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 1d2i n PHE 96 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1d2i n SER 97 N -0.11 0.00 -4.78 4.37 2.88 -1.26 -4.34 113.62 110.39 1d2i n SER 97 Ca 0.04 -0.21 -0.33 0.00 -1.33 0.00 0.00 58.87 57.04 1d2i n SER 97 Cb 0.31 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.80 1d2i n SER 97 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1d2i s ASN 98 N -1.00 5.28 0.46 -3.46 6.03 -1.26 -0.82 114.94 120.17 1d2i s ASN 98 Ca 0.00 1.97 0.24 0.00 -1.03 0.00 0.00 52.86 54.04 1d2i s ASN 98 Cb 0.00 -2.55 1.25 0.00 -3.03 0.00 0.00 41.25 36.92 1d2i s ASN 98 CO 0.00 -1.51 1.83 0.10 -2.03 0.00 0.00 177.10 175.49 1d2i h TYR 99 N 0.18 0.37 0.00 1.54 -0.00 -1.37 -1.17 116.97 116.52 1d2i h TYR 99 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.27 1d2i h TYR 99 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 36.73 37.86 1d2i h TYR 99 CO 0.55 0.06 0.00 -1.00 -0.00 0.00 0.00 178.16 177.77 1d2i h PRO 100 N 0.25 0.00 0.00 0.10 0.13 -1.90 -1.23 132.00 129.35 1d2i h PRO 100 Ca 0.52 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.64 1d2i h PRO 100 Cb 1.57 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.70 1d2i h PRO 100 CO -0.15 0.00 -0.03 0.74 -0.23 0.00 0.00 178.00 178.33 1d2i h PHE 101 N 0.00 0.00 -0.07 1.56 0.04 -1.55 -1.76 116.94 115.15 1d2i h PHE 101 Ca 0.00 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1d2i h PHE 101 Cb 0.10 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1d2i h PHE 101 CO 0.00 0.03 -0.06 1.25 -0.60 0.00 0.00 178.31 178.93 1d2i h LEU 102 N 0.00 -0.20 -0.60 1.54 7.12 -1.43 0.22 115.31 121.97 1d2i h LEU 102 Ca -0.00 0.04 -0.15 0.00 0.13 0.00 0.00 57.88 57.90 1d2i h LEU 102 Cb 0.08 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.29 1d2i h LEU 102 CO 0.00 -0.09 -0.69 -0.07 -0.13 0.00 0.00 178.44 177.47 1d2i h LEU 103 N -0.08 0.10 -0.20 2.25 3.38 -1.57 -0.25 115.31 118.95 1d2i h LEU 103 Ca 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1d2i h LEU 103 Cb 0.15 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1d2i h LEU 103 CO -0.12 0.76 0.09 -1.13 0.09 0.00 0.00 178.44 178.13 1d2i h ASN 104 N 0.06 0.26 -0.22 -0.43 -0.73 -1.12 -0.31 115.58 113.09 1d2i h ASN 104 Ca -0.01 -0.13 -0.10 0.00 1.87 0.00 0.00 56.30 57.93 1d2i h ASN 104 Cb 1.22 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.73 1d2i h ASN 104 CO 0.10 0.32 -0.18 0.78 -0.37 0.00 0.00 177.43 178.07 1d2i h ASN 105 N 0.18 0.66 -0.00 1.15 -0.26 -0.39 -1.23 115.58 115.68 1d2i h ASN 105 Ca 0.07 -0.21 -0.00 0.00 -0.56 0.00 0.00 56.30 55.59 1d2i h ASN 105 Cb 0.13 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1d2i h ASN 105 CO -0.01 0.85 -0.00 0.74 -1.06 0.00 0.00 177.43 177.95 1d2i h THR 106 N 0.59 1.25 -0.50 2.81 2.02 -0.93 -1.90 112.91 116.25 1d2i h THR 106 Ca 0.09 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 66.47 1d2i h THR 106 Cb 0.64 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 1d2i h THR 106 CO 0.05 0.19 0.05 0.58 0.37 0.00 0.00 175.52 176.76 1d2i h VAL 107 N -0.31 1.26 -0.17 3.16 2.07 -1.00 -1.04 116.25 120.22 1d2i h VAL 107 Ca 0.00 -0.99 -0.09 0.00 0.82 0.00 0.00 66.70 66.44 1d2i h VAL 107 Cb 0.32 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1d2i h VAL 107 CO 0.00 0.35 -0.30 0.08 0.02 0.00 0.00 177.57 177.72 1d2i h ARG 108 N 0.72 0.32 -0.24 1.57 0.11 -1.25 -0.73 114.38 114.88 1d2i h ARG 108 Ca 0.15 -0.12 -0.06 0.00 0.10 0.00 0.00 59.98 60.04 1d2i h ARG 108 Cb 0.45 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 1d2i h ARG 108 CO 0.02 0.59 -0.12 0.77 0.10 0.00 0.00 179.97 181.33 1d2i h SER 109 N 0.28 0.38 -0.28 0.08 0.02 -1.01 0.22 113.55 113.25 1d2i h SER 109 Ca 0.04 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1d2i h SER 109 Cb 0.67 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1d2i h SER 109 CO 0.05 0.53 0.05 -0.08 -1.14 0.00 0.00 176.83 176.24 1d2i h GLU 110 N 0.37 0.46 -0.53 3.45 4.57 0.17 -1.48 114.58 121.59 1d2i h GLU 110 Ca 0.07 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 1d2i h GLU 110 Cb 0.44 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1d2i h GLU 110 CO 0.02 0.57 0.00 -0.07 -1.18 0.00 0.00 179.01 178.36 1d2i h LEU 111 N 0.28 0.86 -0.63 1.64 3.38 -0.72 0.12 115.31 120.23 1d2i h LEU 111 Ca 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1d2i h LEU 111 Cb 0.33 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1d2i h LEU 111 CO 0.00 0.92 0.37 -0.26 0.09 0.00 0.00 178.44 179.56 1d2i h PHE 112 N 0.82 0.84 -0.52 1.13 0.04 -0.76 -2.24 116.94 116.25 1d2i h PHE 112 Ca 0.16 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.85 1d2i h PHE 112 Cb 0.48 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1d2i h PHE 112 CO 0.03 0.58 0.06 1.25 -0.60 0.00 0.00 178.31 179.64 1d2i h HIS 113 N 0.85 0.93 -0.33 -0.55 2.76 -0.85 -0.36 115.15 117.60 1d2i h HIS 113 Ca 0.22 -0.14 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 1d2i h HIS 113 Cb -0.00 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.69 1d2i h HIS 113 CO -0.01 0.84 0.02 0.87 -1.30 0.00 0.00 177.93 178.35 1d2i h LYS 114 N 0.74 0.50 -0.02 5.26 1.57 -0.76 -1.62 116.57 122.26 1d2i h LYS 114 Ca 0.15 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1d2i h LYS 114 Cb 0.43 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1d2i h LYS 114 CO 0.01 0.52 -0.04 -1.13 -0.57 0.00 0.00 179.45 178.24 1d2i n SER 115 N -4.30 2.05 -1.71 0.86 3.41 -0.86 -5.10 113.62 107.97 1d2i n SER 115 Ca 0.01 -1.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 1d2i n SER 115 Cb 0.23 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1d2i n SER 115 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1d2i n ASN 116 N 0.54 -6.37 -4.57 4.04 5.15 -0.16 -5.07 115.26 108.82 1d2i n ASN 116 Ca 0.16 1.16 -0.31 0.00 -0.60 0.00 0.00 54.58 54.99 1d2i n ASN 116 Cb 0.45 -4.03 -0.11 0.00 -0.53 0.00 0.00 39.78 35.57 1d2i n ASN 116 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1d2i s ASP 118 N -2.19 4.44 -0.02 1.20 1.01 -1.26 -4.67 116.67 115.18 1d2i s ASP 118 Ca 0.00 -0.23 -0.02 0.00 0.71 0.00 0.00 52.55 53.01 1d2i s ASP 118 Cb 0.00 -0.96 -0.01 0.00 1.01 0.00 0.00 42.92 42.97 1d2i s ASP 118 CO 0.00 0.26 -0.04 -0.38 0.21 0.00 0.00 175.17 175.22 1d2i n ILE 119 N 1.43 0.18 -3.39 0.77 5.41 0.68 -4.83 119.36 119.60 1d2i n ILE 119 Ca -0.15 0.40 -0.26 0.00 1.00 0.00 0.00 62.75 63.74 1d2i n ILE 119 Cb 0.52 -1.53 -0.08 0.00 -0.71 0.00 0.00 39.64 37.84 1d2i n ILE 119 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1d2i n ASP 120 N -2.72 2.46 -1.69 4.38 2.03 -0.58 -4.81 116.55 115.61 1d2i n ASP 120 Ca -0.01 -3.16 -0.18 0.00 0.52 0.00 0.00 54.79 51.96 1d2i n ASP 120 Cb 0.05 -0.66 -0.05 0.00 -0.72 0.00 0.00 41.12 39.74 1d2i n ASP 120 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1d2i n GLU 121 N 1.19 -1.34 -3.79 -0.67 1.02 -1.26 -4.15 120.64 111.64 1d2i n GLU 121 Ca 0.26 1.02 -0.13 0.00 -0.02 0.00 0.00 57.16 58.29 1d2i n GLU 121 Cb 0.44 -5.39 -0.10 0.00 -0.02 0.00 0.00 31.44 26.38 1d2i n GLU 121 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1d2i s GLU 122 N -4.16 0.54 0.00 3.49 2.12 -1.26 -5.07 118.70 114.37 1d2i s GLU 122 Ca 0.00 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.24 1d2i s GLU 122 Cb 0.00 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.63 1d2i s GLU 122 CO 0.00 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.00 1d2i n GLY 123 N 1.72 -1.41 0.00 -1.50 0.00 -1.26 -0.23 105.19 102.51 1d2i n GLY 123 Ca -0.20 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1d2i n GLY 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d2i n LYS 125 N 0.00 0.00 -3.53 1.61 5.02 -0.06 -4.55 118.16 116.65 1d2i n LYS 125 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 1d2i n LYS 125 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1d2i n LYS 125 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1d2i s VAL 126 N -0.07 0.00 0.02 -0.18 0.11 -1.12 -4.37 120.40 114.79 1d2i s VAL 126 Ca 0.00 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 1d2i s VAL 126 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1d2i s VAL 126 CO 0.00 0.00 -0.24 0.00 -3.33 0.00 0.00 175.10 171.53 1d2i s ALA 127 N -1.33 2.04 -0.11 1.54 0.00 -0.53 -1.85 121.76 121.50 1d2i s ALA 127 Ca -0.08 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1d2i s ALA 127 Cb -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 1d2i s ALA 127 CO 0.06 0.49 -0.15 0.42 0.00 0.00 0.00 175.76 176.58 1d2i s ILE 128 N -0.69 2.85 -0.18 0.00 1.01 0.28 -0.54 121.20 123.93 1d2i s ILE 128 Ca 0.10 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1d2i s ILE 128 Cb -0.09 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.24 1d2i s ILE 128 CO 0.01 0.54 -0.16 -0.63 0.00 0.00 0.00 174.94 174.69 1d2i s ILE 129 N 0.23 1.87 -0.19 2.92 1.01 -0.44 -1.03 121.20 125.58 1d2i s ILE 129 Ca -0.10 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.51 1d2i s ILE 129 Cb -0.16 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 1d2i s ILE 129 CO 0.06 0.42 0.21 -0.63 0.00 0.00 0.00 174.94 174.99 1d2i s ILE 130 N 1.34 5.35 0.19 2.92 1.01 0.11 -0.74 121.20 131.40 1d2i s ILE 130 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1d2i s ILE 130 Cb -0.14 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1d2i s ILE 130 CO -0.11 0.40 0.06 0.42 0.00 0.00 0.00 174.94 175.72 1d2i s THR 131 N 0.53 0.38 0.03 2.92 -4.23 0.29 -0.69 115.64 114.87 1d2i s THR 131 Ca 0.12 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1d2i s THR 131 Cb -0.12 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 1d2i s THR 131 CO 0.01 -0.25 0.08 -1.59 -0.54 0.00 0.00 174.62 172.33 1d2i s LYS 132 N -4.03 3.00 0.63 3.99 -2.85 -1.26 -0.12 119.74 119.09 1d2i s LYS 132 Ca 0.31 -0.56 -0.16 0.00 -1.00 0.00 0.00 55.97 54.55 1d2i s LYS 132 Cb 0.07 -2.81 -0.02 0.00 -2.06 0.00 0.00 37.83 33.02 1d2i s LYS 132 CO 0.08 0.62 1.10 0.20 0.10 0.00 0.00 175.35 177.44 1d2i s GLY 133 N -1.98 2.23 0.00 0.59 0.00 0.08 -0.34 107.32 107.90 1d2i s GLY 133 Ca 0.25 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.54 1d2i s GLY 133 CO 0.17 0.91 0.32 1.57 0.00 0.00 0.00 173.10 176.07 1d2i n HIS 134 N -2.15 0.00 0.00 1.90 -0.00 -1.26 -4.78 115.22 108.93 1d2i n HIS 134 Ca 0.10 -0.01 0.00 0.00 0.46 0.00 0.00 57.72 58.27 1d2i n HIS 134 Cb 0.52 -0.31 0.00 0.00 -0.12 0.00 0.00 29.99 30.08 1d2i n HIS 134 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1d2i n PHE 136 N 2.47 0.00 -1.96 1.57 3.72 -1.26 -4.74 117.46 117.26 1d2i n PHE 136 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 1d2i n PHE 136 Cb 0.00 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.57 1d2i n PHE 136 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1d2i s PRO 137 N 0.00 3.29 0.24 -1.08 0.04 -1.26 -4.85 135.00 131.38 1d2i s PRO 137 Ca 0.00 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.85 1d2i s PRO 137 Cb 0.00 -2.24 0.04 0.00 0.04 0.00 0.00 34.50 32.34 1d2i s PRO 137 CO 0.00 -1.01 0.82 0.00 0.04 0.00 0.00 177.00 176.86 1d2i s ALA 138 N -1.42 -1.33 0.46 8.56 0.00 -1.26 -1.18 121.76 125.58 1d2i s ALA 138 Ca 0.70 -0.22 -0.24 0.00 0.00 0.00 0.00 51.96 52.21 1d2i s ALA 138 Cb -0.35 0.76 -0.09 0.00 0.00 0.00 0.00 23.12 23.44 1d2i s ALA 138 CO 0.41 -1.04 1.15 -1.13 0.00 0.00 0.00 175.76 175.15 1d2i n SER 139 N -0.60 1.87 -4.73 0.00 3.41 -1.26 -4.88 113.62 107.42 1d2i n SER 139 Ca -0.05 1.02 -0.42 0.00 -0.26 0.00 0.00 58.87 59.16 1d2i n SER 139 Cb 0.60 -1.44 -0.01 0.00 -0.26 0.00 0.00 64.21 63.10 1d2i n SER 139 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1d2i n ASN 140 N 0.03 3.21 0.00 4.04 3.02 -1.26 -2.50 115.26 121.81 1d2i n ASN 140 Ca 0.09 1.21 0.00 0.00 -0.03 0.00 0.00 54.58 55.85 1d2i n ASN 140 Cb 0.41 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.04 1d2i n ASN 140 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1d2i n SER 141 N 0.87 -1.58 -4.77 6.41 7.64 -1.26 -4.98 113.62 115.95 1d2i n SER 141 Ca 0.04 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.51 1d2i n SER 141 Cb 0.37 -1.47 -0.02 0.00 -1.01 0.00 0.00 64.21 62.08 1d2i n SER 141 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1d2i s SER 142 N -2.33 6.76 0.52 6.43 1.04 -1.04 -1.05 113.70 124.03 1d2i s SER 142 Ca 0.00 2.68 -0.22 0.00 0.48 0.00 0.00 55.95 58.89 1d2i s SER 142 Cb 0.00 -2.65 -0.07 0.00 0.10 0.00 0.00 66.02 63.41 1d2i s SER 142 CO 0.00 -0.56 1.15 -0.11 0.98 0.00 0.00 173.24 174.70 1d2i n LEU 143 N 1.03 4.10 -4.15 2.42 7.94 -0.00 -4.69 117.00 123.65 1d2i n LEU 143 Ca 0.01 0.95 -0.12 0.00 -1.11 0.00 0.00 56.01 55.75 1d2i n LEU 143 Cb 0.42 -1.46 -0.10 0.00 0.53 0.00 0.00 43.42 42.80 1d2i n LEU 143 CO 0.59 -1.19 -0.39 -0.72 -1.11 0.00 0.00 177.39 174.57 1d2i s TYR 144 N -1.34 0.86 0.18 1.96 1.13 -1.26 -4.54 117.35 114.33 1d2i s TYR 144 Ca 0.70 -0.78 -0.14 0.00 -1.41 0.00 0.00 57.07 55.44 1d2i s TYR 144 Cb -0.46 -0.50 0.17 0.00 -1.10 0.00 0.00 41.96 40.07 1d2i s TYR 144 CO 0.51 -0.11 1.72 -0.92 -2.51 0.00 0.00 175.55 174.24 1d2i h TYR 145 N 3.41 0.13 -0.34 -3.49 3.20 -0.99 -2.02 116.97 116.88 1d2i h TYR 145 Ca -0.36 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.50 1d2i h TYR 145 Cb 1.18 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.44 1d2i h TYR 145 CO 0.61 -0.01 0.01 0.93 -1.64 0.00 0.00 178.16 178.06 1d2i h GLU 146 N 0.21 0.52 -0.15 1.82 3.07 -1.96 0.27 114.58 118.36 1d2i h GLU 146 Ca 0.23 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 58.97 1d2i h GLU 146 Cb 0.31 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1d2i h GLU 146 CO -0.31 0.54 0.02 0.37 -1.40 0.00 0.00 179.01 178.22 1d2i h GLN 147 N 0.50 0.25 -0.74 2.33 4.15 -1.89 0.02 115.11 119.73 1d2i h GLN 147 Ca 0.11 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 1d2i h GLN 147 Cb 0.31 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1d2i h GLN 147 CO 0.01 0.44 0.35 0.00 -1.93 0.00 0.00 178.83 177.70 1d2i h ALA 148 N 0.80 0.95 -0.05 3.38 0.00 -0.60 -0.51 119.26 123.24 1d2i h ALA 148 Ca 0.04 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1d2i h ALA 148 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1d2i h ALA 148 CO 0.00 0.52 0.01 1.96 0.00 0.00 0.00 179.25 181.74 1d2i h GLN 149 N 1.04 0.03 -0.79 0.00 4.20 -0.27 0.00 115.11 119.32 1d2i h GLN 149 Ca 0.25 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 1d2i h GLN 149 Cb 0.12 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1d2i h GLN 149 CO -0.03 0.02 0.34 -0.91 -0.67 0.00 0.00 178.83 177.58 1d2i h ASN 150 N 0.03 1.08 -0.18 1.46 -0.26 -0.76 0.40 115.58 117.35 1d2i h ASN 150 Ca 0.02 -0.16 -0.06 0.00 -0.56 0.00 0.00 56.30 55.54 1d2i h ASN 150 Cb 0.01 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 36.99 1d2i h ASN 150 CO -0.03 0.94 -0.12 1.56 -1.06 0.00 0.00 177.43 178.72 1d2i h GLN 151 N 1.14 0.40 -0.08 0.81 4.20 -0.84 -2.47 115.11 118.28 1d2i h GLN 151 Ca 0.27 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 1d2i h GLN 151 Cb 0.19 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1d2i h GLN 151 CO -0.03 0.73 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.47 1d2i h LEU 152 N 0.07 0.15 -0.60 1.46 3.38 -0.86 -1.44 115.31 117.47 1d2i h LEU 152 Ca 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1d2i h LEU 152 Cb 0.63 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1d2i h LEU 152 CO 0.03 0.47 0.32 0.78 0.09 0.00 0.00 178.44 180.14 1d2i h ASN 153 N 0.13 0.77 -0.36 -0.43 -0.26 -0.86 0.57 115.58 115.14 1d2i h ASN 153 Ca 0.02 -0.10 -0.06 0.00 -0.56 0.00 0.00 56.30 55.59 1d2i h ASN 153 Cb 0.64 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.69 1d2i h ASN 153 CO 0.05 0.65 -0.01 -1.28 -1.06 0.00 0.00 177.43 175.78 1d2i h SER 154 N 0.82 0.63 -0.96 5.81 0.87 -0.93 -1.51 113.55 118.27 1d2i h SER 154 Ca 0.21 -0.31 0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1d2i h SER 154 Cb 0.06 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 61.80 1d2i h SER 154 CO -0.03 0.79 0.63 -0.07 -0.53 0.00 0.00 176.83 177.62 1d2i h LEU 155 N 0.45 1.08 -0.54 2.23 4.07 -0.94 -2.48 115.31 119.17 1d2i h LEU 155 Ca 0.10 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.00 1d2i h LEU 155 Cb 0.47 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.93 1d2i h LEU 155 CO 0.02 0.76 0.18 0.00 -1.08 0.00 0.00 178.44 178.32 1d2i h ALA 156 N 1.37 0.71 -0.75 1.53 0.00 -0.67 -1.37 119.26 120.08 1d2i h ALA 156 Ca 0.37 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1d2i h ALA 156 Cb -0.08 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 1d2i h ALA 156 CO -0.10 0.36 0.49 1.49 0.00 0.00 0.00 179.25 181.49 1d2i h GLU 157 N 0.75 0.62 -0.64 0.00 4.81 -0.89 -1.55 114.58 117.68 1d2i h GLU 157 Ca 0.18 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1d2i h GLU 157 Cb 0.26 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1d2i h GLU 157 CO -0.01 0.41 0.00 0.66 -0.73 0.00 0.00 179.01 179.34 1d2i n TYR 158 N -4.50 1.68 -3.71 0.92 4.01 -0.97 -4.96 117.16 109.64 1d2i n TYR 158 Ca 0.13 -0.64 -0.28 0.00 -0.16 0.00 0.00 57.90 56.94 1d2i n TYR 158 Cb 0.35 -0.32 0.01 0.00 -0.31 0.00 0.00 39.34 39.07 1d2i n TYR 158 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1d2i n ASN 159 N 1.02 -4.46 0.04 7.72 3.02 -0.58 -4.89 115.26 117.13 1d2i n ASN 159 Ca 0.27 -0.64 -0.12 0.00 -0.03 0.00 0.00 54.58 54.06 1d2i n ASN 159 Cb 0.99 -3.60 0.00 0.00 -0.61 0.00 0.00 39.78 36.55 1d2i n ASN 159 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1d2i h VAL 160 N -1.62 1.36 -3.95 2.41 2.07 -1.53 -3.46 116.25 111.53 1d2i h VAL 160 Ca -0.53 -2.13 -0.28 0.00 0.82 0.00 0.00 66.70 64.58 1d2i h VAL 160 Cb 1.35 2.11 -0.23 0.00 -1.52 0.00 0.00 31.29 33.00 1d2i h VAL 160 CO 0.64 0.65 -0.74 0.72 0.02 0.00 0.00 177.57 178.86 1d2i s PHE 161 N -3.61 0.58 -0.37 1.57 -0.71 -1.26 -5.03 117.98 109.14 1d2i s PHE 161 Ca -0.07 -0.39 0.13 0.00 -1.04 0.00 0.00 56.93 55.57 1d2i s PHE 161 Cb 0.10 -0.35 -0.17 0.00 -1.21 0.00 0.00 43.02 41.38 1d2i s PHE 161 CO 0.86 -0.07 0.45 -0.25 -1.34 0.00 0.00 175.22 174.86 1d2i n ASP 162 N 1.86 1.16 -4.74 1.98 8.00 -1.26 -4.91 116.55 118.64 1d2i n ASP 162 Ca -0.20 -0.47 -0.41 0.00 0.71 0.00 0.00 54.79 54.42 1d2i n ASP 162 Cb 0.56 1.26 -0.03 0.00 -0.02 0.00 0.00 41.12 42.89 1d2i n ASP 162 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1d2i s VAL 163 N -2.54 2.83 0.13 2.53 0.11 -1.26 -4.83 120.40 117.37 1d2i s VAL 163 Ca 0.01 0.68 -0.31 0.00 -2.93 0.00 0.00 61.98 59.43 1d2i s VAL 163 Cb 0.09 -3.44 -0.08 0.00 -1.53 0.00 0.00 36.38 31.43 1d2i s VAL 163 CO 0.55 0.10 1.35 -2.84 -3.33 0.00 0.00 175.10 170.94 1d2i s PRO 164 N -0.19 4.35 -0.05 1.54 0.02 -1.26 -4.62 135.00 134.78 1d2i s PRO 164 Ca 0.59 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.67 1d2i s PRO 164 Cb -0.40 -3.24 0.02 0.00 0.02 0.00 0.00 34.50 30.90 1d2i s PRO 164 CO 0.41 -0.38 -0.03 0.42 -0.33 0.00 0.00 177.00 177.09 1d2i s ILE 165 N 0.82 0.52 -0.35 2.83 1.01 -0.88 -1.46 121.20 123.70 1d2i s ILE 165 Ca 0.62 -0.07 -0.12 0.00 0.00 0.00 0.00 60.65 61.08 1d2i s ILE 165 Cb -0.36 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.52 1d2i s ILE 165 CO 0.32 0.24 0.23 -0.60 0.00 0.00 0.00 174.94 175.13 1d2i s ARG 166 N 1.23 3.33 -0.19 2.79 3.52 0.30 -0.62 118.95 129.32 1d2i s ARG 166 Ca -0.06 -0.75 -0.17 0.00 -0.13 0.00 0.00 55.73 54.62 1d2i s ARG 166 Cb -0.14 -3.77 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 1d2i s ARG 166 CO -0.02 -0.50 0.44 -1.17 -0.81 0.00 0.00 175.30 173.24 1d2i s LEU 167 N 1.68 4.17 -0.10 -0.88 2.96 0.68 -1.32 118.68 125.87 1d2i s LEU 167 Ca 0.05 0.59 0.01 0.00 -0.22 0.00 0.00 54.13 54.56 1d2i s LEU 167 Cb -0.18 -2.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 1d2i s LEU 167 CO 0.09 -0.09 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.23 1d2i s VAL 168 N 1.29 3.29 -0.16 1.68 1.01 0.09 -1.06 120.40 126.53 1d2i s VAL 168 Ca 0.21 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1d2i s VAL 168 Cb -0.15 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.88 1d2i s VAL 168 CO 0.09 0.56 -0.18 -0.83 0.00 0.00 0.00 175.10 174.73 1d2i s GLY 169 N -0.22 1.42 -0.16 4.51 0.00 0.71 -0.54 107.32 113.04 1d2i s GLY 169 Ca 0.02 -1.13 -0.26 0.00 0.00 0.00 0.00 44.72 43.34 1d2i s GLY 169 CO 0.03 0.13 0.87 1.08 0.00 0.00 0.00 173.10 175.21 1d2i s LEU 170 N 1.03 4.19 0.31 0.66 1.43 0.83 -1.06 118.68 126.07 1d2i s LEU 170 Ca -0.02 1.26 0.06 0.00 -1.03 0.00 0.00 54.13 54.40 1d2i s LEU 170 Cb -0.15 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 1d2i s LEU 170 CO -0.05 -0.42 0.24 0.27 0.23 0.00 0.00 176.35 176.62 1d2i s ILE 171 N 2.15 0.05 0.16 -0.59 -4.36 0.01 -0.74 121.20 117.87 1d2i s ILE 171 Ca 0.41 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.68 1d2i s ILE 171 Cb -0.17 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.05 1d2i s ILE 171 CO 0.13 0.00 0.33 -1.61 0.24 0.00 0.00 174.94 174.03 1d2i s GLU 172 N -3.60 1.16 0.41 0.37 0.41 -1.26 -0.54 118.70 115.65 1d2i s GLU 172 Ca 0.39 -1.06 -0.23 0.00 -0.41 0.00 0.00 54.97 53.67 1d2i s GLU 172 Cb 0.03 0.41 -0.09 0.00 -1.78 0.00 0.00 34.13 32.70 1d2i s GLU 172 CO 0.24 -0.44 1.01 -0.51 -0.49 0.00 0.00 175.26 175.07 1d2i s ASP 173 N -2.93 6.80 0.63 -0.19 1.01 -1.26 -5.02 116.67 115.71 1d2i s ASP 173 Ca 0.13 1.90 -0.12 0.00 0.71 0.00 0.00 52.55 55.17 1d2i s ASP 173 Cb 0.02 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1d2i s ASP 173 CO -0.03 -0.46 1.03 -0.36 0.21 0.00 0.00 175.17 175.57 1d2i s PHE 174 N -1.85 3.46 -1.65 4.23 0.08 -1.26 -4.22 117.98 116.78 1d2i s PHE 174 Ca 0.60 1.35 -0.12 0.00 0.12 0.00 0.00 56.93 58.87 1d2i s PHE 174 Cb -0.17 -2.78 0.11 0.00 -0.57 0.00 0.00 43.02 39.61 1d2i s PHE 174 CO 0.22 -0.80 0.52 0.39 -0.10 0.00 0.00 175.22 175.45 1d2i n GLU 175 N -2.68 -2.26 -4.25 0.44 -0.58 0.49 -4.93 120.64 106.86 1d2i n GLU 175 Ca 0.07 0.28 -0.19 0.00 -0.42 0.00 0.00 57.16 56.89 1d2i n GLU 175 Cb 0.54 -4.61 -0.16 0.00 -0.57 0.00 0.00 31.44 26.64 1d2i n GLU 175 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1d2i s THR 176 N -3.64 0.60 0.02 2.62 2.01 -1.26 -5.01 115.64 110.99 1d2i s THR 176 Ca 0.46 -0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 1d2i s THR 176 Cb -0.26 -0.58 -0.08 0.00 0.01 0.00 0.00 72.50 71.60 1d2i s THR 176 CO 0.95 0.22 1.76 -0.62 -0.69 0.00 0.00 174.62 176.24 1d2i s ASP 177 N 0.50 6.57 0.11 3.53 2.15 -1.26 -4.43 116.67 123.84 1d2i s ASP 177 Ca -0.07 2.47 -0.01 0.00 0.43 0.00 0.00 52.55 55.37 1d2i s ASP 177 Cb -0.11 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.93 1d2i s ASP 177 CO 0.00 -0.96 0.03 0.27 -0.17 0.00 0.00 175.17 174.34 1d2i s ILE 178 N 3.67 0.16 0.05 4.11 -4.36 0.12 -4.99 121.20 119.96 1d2i s ILE 178 Ca 0.78 -1.88 -0.15 0.00 -0.26 0.00 0.00 60.65 59.14 1d2i s ILE 178 Cb -0.39 -1.88 -0.06 0.00 1.25 0.00 0.00 42.46 41.39 1d2i s ILE 178 CO 0.34 -0.64 0.47 -1.81 0.24 0.00 0.00 174.94 173.54 1d2i s ASP 179 N -3.01 6.86 0.02 4.36 1.01 -1.26 -1.23 116.67 123.42 1d2i s ASP 179 Ca 0.19 1.04 0.03 0.00 0.71 0.00 0.00 52.55 54.51 1d2i s ASP 179 Cb 0.08 -2.27 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 1d2i s ASP 179 CO -0.02 0.26 -0.10 -0.63 0.21 0.00 0.00 175.17 174.89 1d2i s ILE 180 N -1.19 0.76 -0.21 0.77 1.01 -0.43 -3.83 121.20 118.08 1d2i s ILE 180 Ca 0.28 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 60.07 1d2i s ILE 180 Cb -0.17 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 1d2i s ILE 180 CO 0.16 -0.05 0.12 -0.69 0.00 0.00 0.00 174.94 174.49 1d2i s VAL 181 N -0.75 5.18 -0.17 2.92 1.01 0.49 -0.69 120.40 128.39 1d2i s VAL 181 Ca -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1d2i s VAL 181 Cb -0.07 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 1d2i s VAL 181 CO 0.00 0.40 -0.13 -0.55 0.00 0.00 0.00 175.10 174.83 1d2i s SER 182 N 0.69 3.81 -0.00 3.32 0.15 0.03 -0.75 113.70 120.94 1d2i s SER 182 Ca 0.06 -0.45 0.07 0.00 0.70 0.00 0.00 55.95 56.33 1d2i s SER 182 Cb -0.12 -1.60 -0.02 0.00 -1.71 0.00 0.00 66.02 62.56 1d2i s SER 182 CO 0.01 0.06 -0.21 -0.89 1.20 0.00 0.00 173.24 173.42 1d2i s THR 183 N 0.95 1.66 -0.13 6.45 2.01 -0.70 -1.69 115.64 124.18 1d2i s THR 183 Ca -0.02 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 61.00 1d2i s THR 183 Cb -0.15 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 1d2i s THR 183 CO -0.02 0.41 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.32 1d2i s THR 184 N -0.56 3.22 0.38 -0.82 2.01 0.30 -4.49 115.64 115.68 1d2i s THR 184 Ca 0.08 -0.60 0.08 0.00 0.31 0.00 0.00 61.69 61.55 1d2i s THR 184 Cb -0.08 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1d2i s THR 184 CO -0.00 0.52 0.37 -0.31 -0.69 0.00 0.00 174.62 174.51 1d2i s TYR 185 N 0.34 2.83 -0.22 4.92 1.51 -1.26 -0.42 117.35 125.05 1d2i s TYR 185 Ca -0.10 -0.38 0.25 0.00 -1.01 0.00 0.00 57.07 55.83 1d2i s TYR 185 Cb -0.16 -2.03 1.21 0.00 -0.11 0.00 0.00 41.96 40.87 1d2i s TYR 185 CO 0.05 -0.02 1.75 0.00 -1.11 0.00 0.00 175.55 176.22 1d2i h ALA 186 N 1.07 1.00 -2.40 3.71 0.00 -1.08 -3.43 119.26 118.13 1d2i h ALA 186 Ca -0.43 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1d2i h ALA 186 Cb 1.26 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.90 1d2i h ALA 186 CO 0.56 0.00 -0.59 -0.51 0.00 0.00 0.00 179.25 178.71 1d2i s ASP 187 N -4.29 0.35 0.39 0.00 1.01 -1.26 -5.05 116.67 107.82 1d2i s ASP 187 Ca 0.00 -0.82 0.28 0.00 0.71 0.00 0.00 52.55 52.72 1d2i s ASP 187 Cb 0.08 0.23 1.10 0.00 1.01 0.00 0.00 42.92 45.34 1d2i s ASP 187 CO 0.30 -0.59 1.83 0.11 0.21 0.00 0.00 175.17 177.03 1d2i h LYS 188 N 3.24 0.00 -4.01 8.23 1.57 -1.99 -3.40 116.57 120.21 1d2i h LYS 188 Ca -0.34 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.19 1d2i h LYS 188 Cb 1.16 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.21 1d2i h LYS 188 CO 0.60 0.00 -0.73 1.03 -0.57 0.00 0.00 179.45 179.78 1d2i s ARG 189 N -3.45 0.22 0.00 3.15 0.52 -1.26 -4.61 118.95 113.52 1d2i s ARG 189 Ca 0.03 -0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1d2i s ARG 189 Cb 0.09 -0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.44 1d2i s ARG 189 CO 0.49 0.03 0.00 0.66 0.02 0.00 0.00 175.30 176.50 1d2i n TYR 190 N 2.65 0.00 -1.77 -0.53 4.01 -1.26 -4.97 117.16 115.30 1d2i n TYR 190 Ca -0.15 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.18 1d2i n TYR 190 Cb 0.58 -0.32 0.01 0.00 -0.31 0.00 0.00 39.34 39.30 1d2i n TYR 190 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1d2i n SER 191 N 0.03 3.55 -0.36 7.72 2.88 -1.26 -4.89 113.62 121.28 1d2i n SER 191 Ca 0.00 1.18 0.03 0.00 -1.33 0.00 0.00 58.87 58.76 1d2i n SER 191 Cb 0.00 -1.61 0.09 0.00 -0.75 0.00 0.00 64.21 61.94 1d2i n SER 191 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1d2i n ARG 192 N 0.20 2.87 -3.10 -1.46 1.74 -1.26 -4.86 116.66 110.78 1d2i n ARG 192 Ca 0.03 -1.80 -0.42 0.00 -0.77 0.00 0.00 57.85 54.89 1d2i n ARG 192 Cb 0.40 -1.15 -0.06 0.00 -1.02 0.00 0.00 32.46 30.62 1d2i n ARG 192 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1d2i s THR 193 N -0.99 4.87 0.01 0.55 2.01 -1.26 -5.02 115.64 115.81 1d2i s THR 193 Ca 0.13 0.58 -0.30 0.00 0.31 0.00 0.00 61.69 62.42 1d2i s THR 193 Cb 0.07 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1d2i s THR 193 CO 0.09 -0.34 1.07 -0.63 -0.69 0.00 0.00 174.62 174.12 1d2i s ILE 194 N 2.74 4.54 -0.21 1.82 1.01 -1.26 -0.44 121.20 129.40 1d2i s ILE 194 Ca 0.25 1.82 -0.04 0.00 0.00 0.00 0.00 60.65 62.68 1d2i s ILE 194 Cb -0.14 -4.17 -0.20 0.00 0.01 0.00 0.00 42.46 37.96 1d2i s ILE 194 CO 0.15 0.12 -0.00 0.41 0.00 0.00 0.00 174.94 175.62 1d2i n THR 195 N 4.03 1.60 -3.69 2.92 -1.04 0.44 -4.83 114.28 113.71 1d2i n THR 195 Ca 0.08 -0.55 -0.14 0.00 -2.04 0.00 0.00 64.05 61.39 1d2i n THR 195 Cb 0.49 -1.61 -0.09 0.00 -1.82 0.00 0.00 70.33 67.30 1d2i n THR 195 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1d2i s LYS 196 N -2.52 0.63 -0.02 -2.82 2.47 -0.97 -5.00 119.74 111.50 1d2i s LYS 196 Ca -0.30 0.65 -0.00 0.00 -1.56 0.00 0.00 55.97 54.75 1d2i s LYS 196 Cb 0.08 0.30 0.03 0.00 -1.46 0.00 0.00 37.83 36.79 1d2i s LYS 196 CO 0.65 -0.09 0.04 0.50 0.16 0.00 0.00 175.35 176.61 1d2i s ARG 197 N 0.12 -0.03 0.03 4.03 3.52 -1.26 -0.54 118.95 124.81 1d2i s ARG 197 Ca -0.01 0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 1d2i s ARG 197 Cb -0.04 -0.25 -0.02 0.00 -1.56 0.00 0.00 34.95 33.09 1d2i s ARG 197 CO 0.01 -0.17 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.78 1d2i s ASP 198 N 1.09 0.37 -0.22 -2.12 1.01 -0.68 -4.98 116.67 111.14 1d2i s ASP 198 Ca -0.09 -0.53 -0.12 0.00 0.71 0.00 0.00 52.55 52.52 1d2i s ASP 198 Cb -0.13 0.09 -0.05 0.00 1.01 0.00 0.00 42.92 43.85 1d2i s ASP 198 CO -0.03 -0.29 0.25 -0.89 0.21 0.00 0.00 175.17 174.41 1d2i s THR 199 N -1.54 5.31 0.34 -1.27 2.01 -1.26 -0.79 115.64 118.44 1d2i s THR 199 Ca -0.14 0.38 0.03 0.00 0.31 0.00 0.00 61.69 62.28 1d2i s THR 199 Cb -0.09 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1d2i s THR 199 CO -0.01 0.33 0.12 0.68 -0.69 0.00 0.00 174.62 175.05 1d2i s VAL 200 N 1.03 0.64 0.14 3.82 -7.23 0.13 -4.96 120.40 113.97 1d2i s VAL 200 Ca 0.12 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.22 1d2i s VAL 200 Cb -0.14 -2.53 -0.06 0.00 0.56 0.00 0.00 36.38 34.22 1d2i s VAL 200 CO 0.05 0.00 0.41 -0.54 -0.31 0.00 0.00 175.10 174.71 1d2i s LYS 201 N -3.82 3.69 0.07 4.82 1.02 -1.26 -1.31 119.74 122.95 1d2i s LYS 201 Ca 0.32 0.05 -0.11 0.00 0.02 0.00 0.00 55.97 56.24 1d2i s LYS 201 Cb 0.05 -2.86 0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1d2i s LYS 201 CO 0.16 0.47 0.52 0.41 -0.92 0.00 0.00 175.35 175.99 1d2i n GLY 202 N 0.28 0.87 3.75 -3.33 0.00 -0.36 -0.00 105.19 106.40 1d2i n GLY 202 Ca -0.03 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 1d2i n GLY 202 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d2i s LYS 203 N -2.02 1.77 -0.28 1.61 -2.85 -0.73 -0.71 119.74 116.54 1d2i s LYS 203 Ca 0.12 -1.16 -0.01 0.00 -1.00 0.00 0.00 55.97 53.91 1d2i s LYS 203 Cb -0.01 0.56 0.04 0.00 -2.06 0.00 0.00 37.83 36.36 1d2i s LYS 203 CO 0.02 -0.79 -0.03 0.08 0.10 0.00 0.00 175.35 174.73 1d2i s VAL 204 N -3.72 2.85 0.20 1.79 1.01 -1.26 -1.70 120.40 119.56 1d2i s VAL 204 Ca 0.16 -1.30 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 1d2i s VAL 204 Cb -0.04 -2.58 -0.09 0.00 0.00 0.00 0.00 36.38 33.68 1d2i s VAL 204 CO 0.09 0.01 1.29 -0.63 0.00 0.00 0.00 175.10 175.86 1d2i s ILE 205 N 1.26 3.25 -0.33 2.22 1.01 0.46 -0.38 121.20 128.69 1d2i s ILE 205 Ca -0.04 1.04 -0.18 0.00 0.00 0.00 0.00 60.65 61.46 1d2i s ILE 205 Cb -0.19 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 1d2i s ILE 205 CO -0.03 0.16 0.54 -0.62 0.00 0.00 0.00 174.94 174.99 1d2i s ASP 206 N 0.29 6.36 0.00 3.58 -1.08 -1.26 -1.70 116.67 122.85 1d2i s ASP 206 Ca 0.56 0.11 0.21 0.00 -0.52 0.00 0.00 52.55 52.92 1d2i s ASP 206 Cb -0.36 -2.28 0.56 0.00 -1.46 0.00 0.00 42.92 39.38 1d2i s ASP 206 CO 0.38 -0.46 1.47 0.35 0.52 0.00 0.00 175.17 177.44 1d2i n THR 207 N 5.40 0.76 -1.51 1.71 -2.24 -1.26 -4.97 114.28 112.18 1d2i n THR 207 Ca -0.04 -0.83 -0.33 0.00 -2.27 0.00 0.00 64.05 60.58 1d2i n THR 207 Cb 0.49 0.59 0.08 0.00 -2.10 0.00 0.00 70.33 69.38 1d2i n THR 207 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1d2i s ASN 208 N -1.16 4.59 0.37 3.42 0.01 -1.26 -4.95 114.94 115.96 1d2i s ASN 208 Ca 0.43 2.08 0.04 0.00 -0.71 0.00 0.00 52.86 54.70 1d2i s ASN 208 Cb 0.23 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.29 1d2i s ASN 208 CO 0.31 -1.98 0.07 0.42 -1.51 0.00 0.00 177.10 174.41 1d2i s THR 209 N -2.36 1.02 -0.13 1.60 -4.23 -1.26 -5.01 115.64 105.27 1d2i s THR 209 Ca 0.68 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.46 1d2i s THR 209 Cb -0.22 -2.60 0.28 0.00 1.34 0.00 0.00 72.50 71.29 1d2i s THR 209 CO 0.46 0.00 1.81 -0.65 -0.54 0.00 0.00 174.62 175.70 1d2i h PRO 210 N 1.93 0.00 -0.00 3.99 0.11 -2.05 -2.83 132.00 133.14 1d2i h PRO 210 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1d2i h PRO 210 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1d2i h PRO 210 CO 0.66 0.00 -0.76 0.09 -0.21 0.00 0.00 178.00 177.78 1d2i n ASN 211 N -2.45 1.15 -0.22 -2.05 3.02 -1.26 -4.54 115.26 108.91 1d2i n ASN 211 Ca -0.00 -1.07 0.04 0.00 -0.03 0.00 0.00 54.58 53.51 1d2i n ASN 211 Cb 0.13 0.86 0.15 0.00 -0.61 0.00 0.00 39.78 40.30 1d2i n ASN 211 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1d2i n THR 212 N -1.07 0.14 -4.16 3.41 -2.24 -1.07 -4.90 114.28 104.40 1d2i n THR 212 Ca 0.05 -0.15 -0.32 0.00 -2.27 0.00 0.00 64.05 61.35 1d2i n THR 212 Cb 0.32 0.05 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 1d2i n THR 212 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1d2i n ARG 213 N -0.20 -0.86 -2.12 -0.78 1.85 -1.26 -0.97 116.66 112.32 1d2i n ARG 213 Ca 0.06 0.10 -0.10 0.00 -1.00 0.00 0.00 57.85 56.91 1d2i n ARG 213 Cb 0.11 -3.61 -0.02 0.00 -1.05 0.00 0.00 32.46 27.90 1d2i n ARG 213 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1d2i n ARG 214 N -3.97 -2.02 0.00 2.89 5.12 -1.26 -4.83 116.66 112.60 1d2i n ARG 214 Ca -0.12 0.54 0.12 0.00 -1.93 0.00 0.00 57.85 56.45 1d2i n ARG 214 Cb 0.53 -5.01 0.18 0.00 -1.16 0.00 0.00 32.46 27.00 1d2i n ARG 214 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1d2i n ARG 215 N -2.45 0.70 -2.54 5.56 1.74 -0.14 -4.90 116.66 114.63 1d2i n ARG 215 Ca -0.12 -0.49 -0.41 0.00 -0.77 0.00 0.00 57.85 56.06 1d2i n ARG 215 Cb 0.52 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.43 1d2i n ARG 215 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1d2i s LYS 216 N -2.64 4.59 0.53 5.56 1.02 -1.26 -5.00 119.74 122.54 1d2i s LYS 216 Ca 0.18 1.68 -0.13 0.00 0.02 0.00 0.00 55.97 57.72 1d2i s LYS 216 Cb 0.18 -3.30 -0.06 0.00 -0.52 0.00 0.00 37.83 34.13 1d2i s LYS 216 CO 0.61 0.06 0.96 1.03 -0.92 0.00 0.00 175.35 177.10 1d2i s ARG 217 N -0.18 3.79 0.99 1.68 0.52 -1.26 -4.74 118.95 119.74 1d2i s ARG 217 Ca 0.50 0.78 -0.14 0.00 -0.52 0.00 0.00 55.73 56.34 1d2i s ARG 217 Cb -0.28 -2.16 0.18 0.00 0.52 0.00 0.00 34.95 33.21 1d2i s ARG 217 CO 0.34 -0.34 1.16 0.20 0.02 0.00 0.00 175.30 176.68 1d2i s GLY 218 N -3.52 1.61 -0.13 -3.53 0.00 -1.26 -4.46 107.32 96.03 1d2i s GLY 218 Ca 0.56 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.58 1d2i s GLY 218 CO 0.40 -0.05 -0.16 -1.59 0.00 0.00 0.00 173.10 171.70 1d2i s THR 219 N -3.30 2.69 -0.05 0.90 2.01 -0.69 -4.11 115.64 113.08 1d2i s THR 219 Ca 0.67 -0.78 -0.16 0.00 0.31 0.00 0.00 61.69 61.73 1d2i s THR 219 Cb -0.12 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 1d2i s THR 219 CO 0.54 0.53 0.41 -0.63 -0.69 0.00 0.00 174.62 174.78 1d2i s ILE 220 N 0.48 5.10 0.04 1.82 1.01 -1.26 -0.40 121.20 127.99 1d2i s ILE 220 Ca -0.11 0.84 0.04 0.00 0.00 0.00 0.00 60.65 61.41 1d2i s ILE 220 Cb -0.16 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 1d2i s ILE 220 CO 0.05 0.49 -0.11 0.68 0.00 0.00 0.00 174.94 176.05 1d2i s VAL 221 N -0.44 0.87 0.16 2.92 -7.23 -0.69 -4.65 120.40 111.34 1d2i s VAL 221 Ca 0.23 -1.00 0.04 0.00 -1.81 0.00 0.00 61.98 59.45 1d2i s VAL 221 Cb -0.16 -0.84 -0.05 0.00 0.56 0.00 0.00 36.38 35.90 1d2i s VAL 221 CO 0.11 -0.14 -0.08 0.42 -0.31 0.00 0.00 175.10 175.10 1d2i s THR 222 N -1.00 1.14 0.00 5.32 -4.23 -1.26 -1.76 115.64 113.84 1d2i s THR 222 Ca -0.02 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1d2i s THR 222 Cb -0.08 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.82 1d2i s THR 222 CO 0.01 -0.67 0.46 -1.22 -0.54 0.00 0.00 174.62 172.65