#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 0.13 0.02 -0.18 -4.36 -1.26 -0.92 121.20 114.63 1d2i s ILE 3 Ca 0.00 -1.10 0.06 0.00 -0.26 0.00 0.00 60.65 59.35 1d2i s ILE 3 Cb 0.00 -0.65 -0.02 0.00 1.25 0.00 0.00 42.46 43.04 1d2i s ILE 3 CO 0.00 -0.61 -0.18 -0.62 0.24 0.00 0.00 174.94 173.77 1d2i s ASP 4 N -1.87 2.15 -0.01 4.36 2.15 -0.32 -4.96 116.67 118.16 1d2i s ASP 4 Ca -0.09 -0.43 0.06 0.00 0.43 0.00 0.00 52.55 52.52 1d2i s ASP 4 Cb -0.04 -0.20 -0.01 0.00 -0.30 0.00 0.00 42.92 42.36 1d2i s ASP 4 CO -0.03 0.16 -0.19 -0.63 -0.17 0.00 0.00 175.17 174.31 1d2i s ILE 5 N -0.65 1.51 -0.06 4.11 1.01 -1.26 -0.20 121.20 125.65 1d2i s ILE 5 Ca 0.06 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.90 1d2i s ILE 5 Cb -0.08 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.16 1d2i s ILE 5 CO 0.01 0.42 -0.08 -0.89 0.00 0.00 0.00 174.94 174.40 1d2i s THR 6 N -0.45 0.87 -0.04 2.92 2.01 -0.28 -4.99 115.64 115.68 1d2i s THR 6 Ca 0.07 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.78 1d2i s THR 6 Cb -0.07 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1d2i s THR 6 CO -0.01 0.31 0.00 -1.81 -0.69 0.00 0.00 174.62 172.42 1d2i s ASP 7 N 0.95 5.18 0.10 3.53 1.01 -1.26 -0.20 116.67 125.97 1d2i s ASP 7 Ca -0.10 0.06 0.09 0.00 0.71 0.00 0.00 52.55 53.31 1d2i s ASP 7 Cb -0.15 -1.40 -0.04 0.00 1.01 0.00 0.00 42.92 42.35 1d2i s ASP 7 CO 0.00 0.32 -0.23 -0.31 0.21 0.00 0.00 175.17 175.17 1d2i s TYR 8 N -1.00 1.94 -1.57 4.23 2.02 0.01 -4.81 117.35 118.18 1d2i s TYR 8 Ca 0.17 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.35 1d2i s TYR 8 Cb -0.11 -1.07 0.09 0.00 -0.40 0.00 0.00 41.96 40.47 1d2i s TYR 8 CO 0.07 0.23 0.72 0.09 -1.57 0.00 0.00 175.55 175.09 1d2i n ASN 9 N 1.12 -2.67 -2.53 2.29 3.02 -1.26 -2.00 115.26 113.22 1d2i n ASN 9 Ca -0.19 -0.95 -0.20 0.00 -0.03 0.00 0.00 54.58 53.21 1d2i n ASN 9 Cb 0.53 -3.13 0.01 0.00 -0.61 0.00 0.00 39.78 36.59 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 -4.45 -1.42 0.29 3.10 8.25 -1.26 -4.32 115.22 115.42 1d2i n HIS 10 Ca -0.06 0.27 0.15 0.00 -0.26 0.00 0.00 57.72 57.82 1d2i n HIS 10 Cb 0.56 -4.04 0.90 0.00 1.12 0.00 0.00 29.99 28.53 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 0.93 1.43 -0.51 -1.41 0.00 -1.72 -1.18 119.26 116.80 1d2i h ALA 11 Ca -0.48 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1d2i h ALA 11 Cb 1.34 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1d2i h ALA 11 CO 0.54 0.03 0.12 0.38 0.00 0.00 0.00 179.25 180.32 1d2i h ASP 12 N 0.00 0.72 0.60 0.00 2.03 -1.89 -0.44 116.42 117.44 1d2i h ASP 12 Ca -0.00 -0.13 -0.09 0.00 -0.73 0.00 0.00 57.03 56.09 1d2i h ASP 12 Cb 0.08 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 38.37 1d2i h ASP 12 CO 0.00 0.72 -1.47 -1.84 -1.03 0.00 0.00 179.24 175.62 1d2i n GLU 13 N -4.28 0.63 0.06 4.15 0.28 -0.63 -4.42 120.64 116.43 1d2i n GLU 13 Ca 0.04 0.08 -0.18 0.00 -0.16 0.00 0.00 57.16 56.93 1d2i n GLU 13 Cb 0.22 -1.73 -0.14 0.00 1.43 0.00 0.00 31.44 31.22 1d2i n GLU 13 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1d2i h ILE 14 N 0.00 1.05 -3.23 3.84 2.04 -1.02 -3.46 117.51 116.73 1d2i h ILE 14 Ca -0.10 -2.70 -0.53 0.00 1.00 0.00 0.00 64.86 62.53 1d2i h ILE 14 Cb 1.30 2.72 0.07 0.00 -0.74 0.00 0.00 36.82 40.18 1d2i h ILE 14 CO 0.02 0.81 0.87 -0.22 0.00 0.00 0.00 178.15 179.63 1d2i s LEU 15 N -7.00 4.36 0.05 1.44 2.96 -0.19 -4.91 118.68 115.38 1d2i s LEU 15 Ca -0.11 2.86 -0.31 0.00 -0.22 0.00 0.00 54.13 56.35 1d2i s LEU 15 Cb 0.07 -3.63 -0.08 0.00 0.50 0.00 0.00 46.19 43.05 1d2i s LEU 15 CO 0.85 -0.87 1.60 0.21 -1.32 0.00 0.00 176.35 176.82 1d2i s ASN 16 N 0.59 6.66 0.30 3.68 3.84 -1.26 -4.91 114.94 123.83 1d2i s ASN 16 Ca 0.64 2.40 0.00 0.00 0.21 0.00 0.00 52.86 56.11 1d2i s ASN 16 Cb -0.46 -2.56 0.52 0.00 -0.55 0.00 0.00 41.25 38.19 1d2i s ASN 16 CO 0.44 -0.86 1.90 -0.65 -2.79 0.00 0.00 177.10 175.15 1d2i h PRO 17 N 8.30 1.01 -0.45 0.43 0.11 -1.95 -0.79 132.00 138.66 1d2i h PRO 17 Ca -0.41 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1d2i h PRO 17 Cb 1.20 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1d2i h PRO 17 CO 0.93 0.67 -0.04 0.37 -0.21 0.00 0.00 178.00 179.71 1d2i h GLN 18 N 1.04 0.83 -0.59 1.05 5.75 -1.99 -0.35 115.11 120.85 1d2i h GLN 18 Ca 0.40 -0.29 -0.08 0.00 -0.15 0.00 0.00 58.65 58.53 1d2i h GLN 18 Cb 0.22 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 1d2i h GLN 18 CO -0.16 0.91 0.06 -0.07 -2.65 0.00 0.00 178.83 176.92 1d2i h LEU 19 N 0.67 0.98 -0.73 -2.39 3.38 -1.83 -2.25 115.31 113.14 1d2i h LEU 19 Ca 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1d2i h LEU 19 Cb 0.56 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1d2i h LEU 19 CO 0.03 1.01 0.37 -0.25 0.09 0.00 0.00 178.44 179.70 1d2i h TRP 20 N 0.91 1.02 -1.01 1.13 -0.00 -0.98 -2.39 115.95 114.63 1d2i h TRP 20 Ca 0.18 -0.04 0.11 0.00 -0.00 0.00 0.00 58.89 59.13 1d2i h TRP 20 Cb 0.48 -0.32 -0.08 0.00 -0.00 0.00 0.00 29.16 29.24 1d2i h TRP 20 CO 0.04 0.74 0.64 -0.22 -0.00 0.00 0.00 178.44 179.64 1d2i h LYS 21 N 1.01 1.01 -0.34 2.65 3.11 -0.63 0.35 116.57 123.74 1d2i h LYS 21 Ca 0.25 -0.06 -0.08 0.00 -2.81 0.00 0.00 60.65 57.95 1d2i h LYS 21 Cb 0.08 -0.23 -0.02 0.00 -1.00 0.00 0.00 32.23 31.07 1d2i h LYS 21 CO -0.04 0.67 -0.12 0.93 -2.81 0.00 0.00 179.45 178.09 1d2i h GLU 22 N 1.04 0.59 0.03 1.90 5.08 -0.92 -0.06 114.58 122.25 1d2i h GLU 22 Ca 0.48 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.58 1d2i h GLU 22 Cb 0.41 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.61 1d2i h GLU 22 CO -0.24 0.70 -0.33 0.82 -1.00 0.00 0.00 179.01 178.96 1d2i h ILE 23 N 0.55 1.58 -0.70 3.13 1.08 -0.99 -3.23 117.51 118.92 1d2i h ILE 23 Ca 0.10 -2.14 0.02 0.00 -0.39 0.00 0.00 64.86 62.44 1d2i h ILE 23 Cb 0.53 2.96 -0.04 0.00 -3.07 0.00 0.00 36.82 37.20 1d2i h ILE 23 CO 0.03 0.59 0.45 -0.08 -0.69 0.00 0.00 178.15 178.45 1d2i h GLU 24 N -0.55 0.89 -0.04 2.37 4.81 -0.17 -1.86 114.58 120.02 1d2i h GLU 24 Ca -0.05 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1d2i h GLU 24 Cb 1.14 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1d2i h GLU 24 CO 0.06 0.59 -0.22 1.05 -0.73 0.00 0.00 179.01 179.76 1d2i h GLU 25 N 0.91 0.07 -0.08 1.92 4.11 -1.12 0.52 114.58 120.91 1d2i h GLU 25 Ca 0.27 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.66 1d2i h GLU 25 Cb -0.06 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1d2i h GLU 25 CO -0.08 0.30 -0.03 1.15 0.07 0.00 0.00 179.01 180.42 1d2i h THR 26 N 0.07 1.31 -0.45 -1.06 2.02 -1.44 -2.57 112.91 110.79 1d2i h THR 26 Ca 0.01 -0.99 -0.08 0.00 0.77 0.00 0.00 66.41 66.12 1d2i h THR 26 Cb 0.44 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 1d2i h THR 26 CO 0.03 0.28 -0.06 -0.07 0.37 0.00 0.00 175.52 176.06 1d2i h LEU 27 N -0.18 0.76 -0.93 2.58 3.38 -0.84 -3.00 115.31 117.07 1d2i h LEU 27 Ca 0.02 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 1d2i h LEU 27 Cb 0.45 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1d2i h LEU 27 CO 0.01 0.86 -0.30 -0.07 0.09 0.00 0.00 178.44 179.03 1d2i h LEU 28 N 0.71 0.43 -6.56 1.67 3.38 -0.91 -3.44 115.31 110.59 1d2i h LEU 28 Ca 0.13 -0.15 -0.73 0.00 0.09 0.00 0.00 57.88 57.22 1d2i h LEU 28 Cb 0.53 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.06 1d2i h LEU 28 CO 0.03 0.71 2.42 2.29 0.09 0.00 0.00 178.44 183.98 1d2i n LYS 29 N -4.10 3.24 -4.25 1.13 2.85 -0.97 -4.79 118.16 111.27 1d2i n LYS 29 Ca -0.01 -3.16 -0.17 0.00 -1.05 0.00 0.00 58.31 53.92 1d2i n LYS 29 Cb 0.43 -3.15 -0.11 0.00 -0.65 0.00 0.00 35.03 31.55 1d2i n LYS 29 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1d2i s PRO 31 N 2.07 1.05 0.14 -1.58 0.04 -1.26 -5.11 135.00 130.34 1d2i s PRO 31 Ca 0.45 -1.33 -0.31 0.00 0.04 0.00 0.00 61.00 59.85 1d2i s PRO 31 Cb 0.09 -0.81 -0.09 0.00 0.04 0.00 0.00 34.50 33.73 1d2i s PRO 31 CO -0.02 0.14 1.55 -1.17 0.04 0.00 0.00 177.00 177.54 1d2i s LEU 32 N -2.74 4.37 -0.19 -3.56 2.96 -1.15 -4.76 118.68 113.62 1d2i s LEU 32 Ca 0.12 2.55 -0.09 0.00 -0.22 0.00 0.00 54.13 56.49 1d2i s LEU 32 Cb -0.02 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 1d2i s LEU 32 CO 0.02 -0.81 0.12 -1.00 -1.32 0.00 0.00 176.35 173.36 1d2i s HIS 33 N 1.39 3.40 0.14 5.38 3.76 -1.26 -0.50 115.29 127.60 1d2i s HIS 33 Ca 0.70 0.31 0.04 0.00 -0.15 0.00 0.00 55.06 55.96 1d2i s HIS 33 Cb -0.42 -2.12 -0.04 0.00 1.11 0.00 0.00 32.58 31.11 1d2i s HIS 33 CO 0.31 0.33 -0.09 0.14 -0.85 0.00 0.00 174.74 174.58 1d2i s VAL 34 N 0.18 1.08 0.30 -0.90 -7.23 0.08 -0.70 120.40 113.21 1d2i s VAL 34 Ca 0.08 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 58.11 1d2i s VAL 34 Cb -0.11 -1.85 0.01 0.00 0.56 0.00 0.00 36.38 34.99 1d2i s VAL 34 CO -0.01 -0.75 0.54 -1.59 -0.31 0.00 0.00 175.10 172.99 1d2i s LYS 35 N -3.77 1.80 0.18 4.82 -2.85 -0.46 -1.68 119.74 117.79 1d2i s LYS 35 Ca 0.17 -1.44 -0.29 0.00 -1.00 0.00 0.00 55.97 53.40 1d2i s LYS 35 Cb 0.03 0.50 -0.08 0.00 -2.06 0.00 0.00 37.83 36.22 1d2i s LYS 35 CO 0.00 -0.77 0.93 0.00 0.10 0.00 0.00 175.35 175.61 1d2i s ALA 36 N -3.40 3.32 0.50 0.59 0.00 -1.26 -0.86 121.76 120.64 1d2i s ALA 36 Ca 0.23 0.57 -0.20 0.00 0.00 0.00 0.00 51.96 52.56 1d2i s ALA 36 Cb -0.02 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 1d2i s ALA 36 CO 0.13 0.13 1.05 0.45 0.00 0.00 0.00 175.76 177.52 1d2i s SER 37 N -0.74 6.24 -0.12 0.00 0.15 0.41 -4.82 113.70 114.81 1d2i s SER 37 Ca 0.42 1.96 0.16 0.00 0.70 0.00 0.00 55.95 59.19 1d2i s SER 37 Cb -0.25 -2.56 0.32 0.00 -1.71 0.00 0.00 66.02 61.82 1d2i s SER 37 CO 0.30 -0.85 1.20 -0.67 1.20 0.00 0.00 173.24 174.42 1d2i n ASP 38 N -1.05 2.68 -4.77 5.45 2.03 -1.26 -1.16 116.55 118.47 1d2i n ASP 38 Ca 0.10 -2.93 -0.40 0.00 0.52 0.00 0.00 54.79 52.08 1d2i n ASP 38 Cb 0.52 -0.41 -0.03 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 -2.62 4.40 0.28 -0.67 0.74 -1.26 -4.84 119.66 115.68 1d2i s GLN 39 Ca 0.31 1.89 0.02 0.00 0.05 0.00 0.00 55.36 57.63 1d2i s GLN 39 Cb 0.26 -2.99 0.65 0.00 1.10 0.00 0.00 33.01 32.03 1d2i s GLN 39 CO 0.04 -0.03 1.73 0.00 -0.55 0.00 0.00 175.29 176.49 1d2i h ALA 40 N 3.34 1.41 -0.15 1.58 0.00 -2.01 0.06 119.26 123.49 1d2i h ALA 40 Ca -0.48 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1d2i h ALA 40 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1d2i h ALA 40 CO 0.65 -0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.57 1d2i n SER 41 N -4.93 1.58 -2.31 0.00 3.41 -1.26 -4.31 113.62 105.80 1d2i n SER 41 Ca 0.20 -1.67 -0.01 0.00 -0.26 0.00 0.00 58.87 57.13 1d2i n SER 41 Cb 0.55 -0.09 0.05 0.00 -0.26 0.00 0.00 64.21 64.47 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 0.26 1.09 -1.71 4.33 2.85 -0.03 -5.08 118.16 119.87 1d2i n LYS 42 Ca 0.16 -2.19 -0.42 0.00 -1.05 0.00 0.00 58.31 54.82 1d2i n LYS 42 Cb 0.32 -0.41 -0.03 0.00 -0.65 0.00 0.00 35.03 34.26 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 -1.41 2.21 0.00 0.58 1.01 -0.95 -1.40 120.40 120.44 1d2i s VAL 43 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1d2i s VAL 43 Cb 0.33 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1d2i s VAL 43 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1d2i n GLY 44 N 4.11 2.95 3.76 4.51 0.00 -0.31 -4.95 105.19 115.26 1d2i n GLY 44 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.24 5.67 0.10 1.61 1.04 -0.49 -4.55 113.70 115.84 1d2i s SER 45 Ca 0.00 2.45 -0.29 0.00 0.48 0.00 0.00 55.95 58.59 1d2i s SER 45 Cb 0.00 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.45 1d2i s SER 45 CO 0.00 -1.27 0.93 -0.76 0.98 0.00 0.00 173.24 173.11 1d2i s LEU 46 N -3.44 4.49 0.17 2.42 1.43 -1.26 -0.45 118.68 122.05 1d2i s LEU 46 Ca 0.69 1.74 0.02 0.00 -1.03 0.00 0.00 54.13 55.55 1d2i s LEU 46 Cb -0.32 -3.52 -0.05 0.00 0.03 0.00 0.00 46.19 42.33 1d2i s LEU 46 CO 0.38 -0.05 -0.01 0.27 0.23 0.00 0.00 176.35 177.17 1d2i s ILE 47 N -0.04 0.75 0.24 -0.59 -4.36 -0.04 -4.56 121.20 112.59 1d2i s ILE 47 Ca 0.45 -1.99 -0.31 0.00 -0.26 0.00 0.00 60.65 58.54 1d2i s ILE 47 Cb -0.23 -2.09 -0.12 0.00 1.25 0.00 0.00 42.46 41.27 1d2i s ILE 47 CO 0.29 -0.51 1.62 0.33 0.24 0.00 0.00 174.94 176.90 1d2i n PHE 48 N -0.24 2.65 -3.39 1.37 -0.00 -0.34 -1.35 117.46 116.16 1d2i n PHE 48 Ca -0.07 0.20 -0.44 0.00 -0.00 0.00 0.00 57.45 57.13 1d2i n PHE 48 Cb 0.63 -2.60 -0.08 0.00 -0.00 0.00 0.00 39.48 37.43 1d2i n PHE 48 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1d2i s ASP 49 N 0.77 6.15 0.32 -2.13 2.15 0.12 -4.70 116.67 119.36 1d2i s ASP 49 Ca 0.71 -1.35 0.14 0.00 0.43 0.00 0.00 52.55 52.49 1d2i s ASP 49 Cb -0.55 -2.18 0.52 0.00 -0.30 0.00 0.00 42.92 40.41 1d2i s ASP 49 CO 0.41 -0.65 1.68 1.55 -0.17 0.00 0.00 175.17 177.98 1d2i h PRO 50 N 8.76 0.00 0.26 4.34 0.13 -1.92 -2.22 132.00 141.35 1d2i h PRO 50 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 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 0.88 0.49 -0.13 0.28 -0.23 0.00 0.00 178.00 179.30 1d2i h VAL 51 N 0.00 0.79 -0.84 1.56 2.07 -1.96 -0.07 116.25 117.79 1d2i h VAL 51 Ca -0.00 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1d2i h VAL 51 Cb 0.99 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1d2i h VAL 51 CO 0.06 0.10 0.45 1.23 0.02 0.00 0.00 177.57 179.44 1d2i h GLY 52 N -0.62 1.25 0.82 2.17 0.00 -1.95 -1.53 103.07 103.22 1d2i h GLY 52 Ca -0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 1d2i h GLY 52 CO 0.06 0.55 0.00 -0.84 0.00 0.00 0.00 176.54 176.31 1d2i h THR 53 N 1.18 1.25 -0.86 4.70 2.02 -1.34 -1.39 112.91 118.47 1d2i h THR 53 Ca 0.29 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.62 1d2i h THR 53 Cb 0.04 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 1d2i h THR 53 CO -0.05 0.26 0.56 0.78 0.37 0.00 0.00 175.52 177.44 1d2i h ASN 54 N 0.11 1.00 -0.44 4.18 2.35 -0.87 -1.49 115.58 120.42 1d2i h ASN 54 Ca 0.06 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 1d2i h ASN 54 Cb 0.39 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1d2i h ASN 54 CO 0.01 0.74 -0.16 -0.61 -1.65 0.00 0.00 177.43 175.76 1d2i h GLN 55 N 1.17 0.93 -0.11 0.81 5.75 -1.13 -1.44 115.11 121.09 1d2i h GLN 55 Ca 0.31 -0.35 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1d2i h GLN 55 Cb -0.11 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.38 1d2i h GLN 55 CO -0.07 1.01 0.07 -0.92 -2.65 0.00 0.00 178.83 176.28 1d2i h TYR 56 N 0.82 0.14 -0.72 3.99 5.03 -0.91 -0.12 116.97 125.21 1d2i h TYR 56 Ca 0.12 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.43 1d2i h TYR 56 Cb 0.70 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.90 1d2i h TYR 56 CO 0.04 0.11 0.45 0.82 -1.32 0.00 0.00 178.16 178.26 1d2i h ILE 57 N 0.14 1.20 -0.45 1.81 2.04 -1.12 -1.90 117.51 119.22 1d2i h ILE 57 Ca 0.04 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1d2i h ILE 57 Cb 0.00 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 1d2i h ILE 57 CO -0.01 0.20 0.26 0.50 0.00 0.00 0.00 178.15 179.10 1d2i h LYS 58 N 0.97 0.62 0.00 2.37 3.64 -0.96 0.01 116.57 123.22 1d2i h LYS 58 Ca 0.26 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1d2i h LYS 58 Cb -0.07 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1d2i h LYS 58 CO -0.05 0.47 -0.08 -0.44 -2.27 0.00 0.00 179.45 177.08 1d2i h ASP 59 N 0.59 0.00 0.11 4.20 3.32 -0.69 -1.49 116.42 122.48 1d2i h ASP 59 Ca 0.16 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.89 1d2i h ASP 59 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1d2i h ASP 59 CO -0.03 0.08 -1.67 -0.33 -1.72 0.00 0.00 179.24 175.57 1d2i h GLU 60 N 0.00 0.24 0.07 3.56 4.39 -0.93 -3.40 114.58 118.50 1d2i h GLU 60 Ca -0.00 -0.41 -0.24 0.00 0.34 0.00 0.00 59.36 59.04 1d2i h GLU 60 Cb 0.23 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1d2i h GLU 60 CO 0.01 1.20 -1.11 -0.07 -1.16 0.00 0.00 179.01 177.87 1d2i h LEU 61 N -0.19 0.25 -0.73 1.33 3.38 -0.84 -3.30 115.31 115.20 1d2i h LEU 61 Ca -0.36 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.32 1d2i h LEU 61 Cb 1.85 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.49 1d2i h LEU 61 CO 0.05 1.19 0.33 0.58 0.09 0.00 0.00 178.44 180.67 1d2i h VAL 62 N 0.05 1.24 0.00 1.22 2.07 -1.42 -0.96 116.25 118.46 1d2i h VAL 62 Ca -0.08 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1d2i h VAL 62 Cb 1.85 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1d2i h VAL 62 CO 0.17 0.29 0.00 -0.65 0.02 0.00 0.00 177.57 177.40 1d2i h PRO 63 N 1.03 0.00 -0.60 1.57 0.11 -1.78 -0.92 132.00 131.42 1d2i h PRO 63 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1d2i h PRO 63 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1d2i h PRO 63 CO -0.03 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.39 1d2i n LYS 64 N -2.91 2.75 -1.80 1.05 5.02 -0.41 -4.92 118.16 116.95 1d2i n LYS 64 Ca -0.00 -1.82 -0.09 0.00 -2.02 0.00 0.00 58.31 54.37 1d2i n LYS 64 Cb 0.21 -1.67 -0.02 0.00 -0.02 0.00 0.00 35.03 33.54 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 0.63 -0.26 -3.24 2.13 8.25 -0.35 -5.01 115.22 117.37 1d2i n HIS 65 Ca 0.16 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.22 1d2i n HIS 65 Cb 0.62 -2.13 -0.08 0.00 1.12 0.00 0.00 29.99 29.52 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 -2.42 3.24 0.26 4.41 0.52 -0.94 -4.79 118.94 119.22 1d2i s TRP 66 Ca 0.00 0.51 -0.30 0.00 0.02 0.00 0.00 56.10 56.34 1d2i s TRP 66 Cb 0.00 -2.77 -0.09 0.00 -1.15 0.00 0.00 33.47 29.45 1d2i s TRP 66 CO 0.00 -0.35 1.11 0.15 0.02 0.00 0.00 176.95 177.88 1d2i s LYS 67 N 2.33 4.62 -0.09 4.98 1.02 -0.47 -4.07 119.74 128.06 1d2i s LYS 67 Ca 0.20 1.81 -0.05 0.00 0.02 0.00 0.00 55.97 57.95 1d2i s LYS 67 Cb -0.16 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1d2i s LYS 67 CO 0.10 0.17 0.11 1.21 -0.92 0.00 0.00 175.35 176.02 1d2i s ASN 68 N -0.71 6.07 -1.22 2.83 3.84 -1.26 -1.62 114.94 122.87 1d2i s ASN 68 Ca 0.46 0.36 -0.11 0.00 0.21 0.00 0.00 52.86 53.77 1d2i s ASN 68 Cb -0.32 -1.89 -0.01 0.00 -0.55 0.00 0.00 41.25 38.48 1d2i s ASN 68 CO 0.40 0.38 0.71 0.59 -2.79 0.00 0.00 177.10 176.39 1d2i n ASN 69 N 1.87 -3.55 -4.72 -4.21 5.03 0.33 -4.88 115.26 105.12 1d2i n ASN 69 Ca -0.18 -0.95 -0.42 0.00 0.87 0.00 0.00 54.58 53.90 1d2i n ASN 69 Cb 0.54 -3.61 -0.03 0.00 -1.02 0.00 0.00 39.78 35.67 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 3.10 0.40 2.41 1.01 -0.68 -4.71 121.20 119.12 1d2i s ILE 70 Ca 0.28 0.80 -0.26 0.00 0.00 0.00 0.00 60.65 61.48 1d2i s ILE 70 Cb -0.09 -3.51 -0.09 0.00 0.01 0.00 0.00 42.46 38.78 1d2i s ILE 70 CO 0.85 0.07 1.23 -2.16 0.00 0.00 0.00 174.94 174.93 1d2i s PRO 71 N 0.93 4.02 -0.06 2.79 0.04 -1.26 -1.12 135.00 140.34 1d2i s PRO 71 Ca 0.65 2.00 -0.24 0.00 0.04 0.00 0.00 61.00 63.45 1d2i s PRO 71 Cb -0.39 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 1d2i s PRO 71 CO 0.32 -0.40 0.71 0.42 0.04 0.00 0.00 177.00 178.09 1d2i s ILE 72 N -1.33 5.03 0.45 0.56 1.01 -0.07 -4.86 121.20 121.99 1d2i s ILE 72 Ca 0.57 1.47 -0.23 0.00 0.00 0.00 0.00 60.65 62.46 1d2i s ILE 72 Cb -0.34 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 37.97 1d2i s ILE 72 CO 0.44 0.25 0.89 -2.65 0.00 0.00 0.00 174.94 173.87 1d2i n PRO 73 N 3.75 1.10 -0.27 2.79 -0.02 -1.26 -4.72 135.00 136.37 1d2i n PRO 73 Ca -0.01 0.40 0.21 0.00 -2.02 0.00 0.00 63.50 62.08 1d2i n PRO 73 Cb 0.51 -1.94 0.53 0.00 -0.02 0.00 0.00 33.50 32.58 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 1.20 0.37 0.00 -0.52 1.79 -1.97 -0.30 116.57 117.14 1d2i h LYS 74 Ca -0.44 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1d2i h LYS 74 Cb 1.36 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1d2i h LYS 74 CO 0.55 0.24 0.00 2.89 -1.08 0.00 0.00 179.45 182.05 1d2i n ARG 75 N -4.52 0.16 -0.15 3.15 1.85 -1.26 -1.45 116.66 114.45 1d2i n ARG 75 Ca 0.21 0.53 0.09 0.00 -1.00 0.00 0.00 57.85 57.68 1d2i n ARG 75 Cb 0.78 -1.91 0.13 0.00 -1.05 0.00 0.00 32.46 30.41 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 -2.24 0.00 0.34 2.89 3.72 -0.14 -4.81 117.46 117.22 1d2i n PHE 76 Ca 0.00 -0.95 0.23 0.00 -0.05 0.00 0.00 57.45 56.68 1d2i n PHE 76 Cb 0.13 -0.15 1.21 0.00 -0.94 0.00 0.00 39.48 39.73 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 0.07 0.00 0.73 4.37 2.03 -1.04 0.09 116.42 122.66 1d2i h ASP 77 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1d2i h ASP 77 Cb 1.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 1d2i h ASP 77 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 179.24 180.43 1d2i n PHE 78 N -3.09 0.32 1.04 4.15 1.16 -1.26 -1.89 117.46 117.89 1d2i n PHE 78 Ca -0.03 0.12 0.12 0.00 -1.87 0.00 0.00 57.45 55.79 1d2i n PHE 78 Cb 0.08 -0.69 0.24 0.00 -1.61 0.00 0.00 39.48 37.50 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 -1.79 0.62 0.00 5.98 4.77 0.02 -5.05 117.00 121.56 1d2i n LEU 79 Ca 0.04 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1d2i n LEU 79 Cb 0.24 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1d2i n LEU 79 CO 0.19 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1d2i n GLY 80 N 1.48 0.86 0.11 -0.72 0.00 -0.79 -4.96 105.19 101.16 1d2i n GLY 80 Ca 0.06 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.17 1.46 -3.74 2.61 -2.24 -1.26 -4.51 114.28 105.44 1d2i n THR 81 Ca 0.00 -0.74 -0.09 0.00 -2.27 0.00 0.00 64.05 60.95 1d2i n THR 81 Cb 0.00 -0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 67.28 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 -6.00 -0.31 0.05 3.42 1.47 -1.26 -0.89 116.67 113.15 1d2i s ASP 82 Ca -0.19 -0.46 0.06 0.00 1.18 0.00 0.00 52.55 53.14 1d2i s ASP 82 Cb 0.07 0.64 -0.03 0.00 -0.34 0.00 0.00 42.92 43.25 1d2i s ASP 82 CO 0.74 -1.15 -0.15 0.27 0.68 0.00 0.00 175.17 175.57 1d2i s ILE 83 N -3.88 3.04 0.11 2.11 -4.36 -0.27 -4.87 121.20 113.08 1d2i s ILE 83 Ca 0.09 -1.14 -0.30 0.00 -0.26 0.00 0.00 60.65 59.04 1d2i s ILE 83 Cb -0.03 -2.32 -0.11 0.00 1.25 0.00 0.00 42.46 41.26 1d2i s ILE 83 CO -0.01 0.30 1.61 0.44 0.24 0.00 0.00 174.94 177.52 1d2i h ASP 84 N 4.34 -0.99 -5.11 4.36 3.32 -1.89 -1.70 116.42 118.74 1d2i h ASP 84 Ca -0.48 0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.57 1d2i h ASP 84 Cb 1.16 0.36 -0.16 0.00 0.22 0.00 0.00 39.33 40.91 1d2i h ASP 84 CO 0.49 -0.46 -0.42 -0.36 -1.72 0.00 0.00 179.24 176.77 1d2i s PHE 85 N -5.99 0.14 -0.03 4.55 0.08 -0.78 -0.52 117.98 115.44 1d2i s PHE 85 Ca -0.16 -0.47 -0.25 0.00 0.12 0.00 0.00 56.93 56.16 1d2i s PHE 85 Cb 0.07 -0.08 0.05 0.00 -0.57 0.00 0.00 43.02 42.49 1d2i s PHE 85 CO 0.64 -0.46 0.56 0.20 -0.10 0.00 0.00 175.22 176.06 1d2i s GLY 86 N -2.42 -0.44 -0.20 4.36 0.00 -0.64 -0.84 107.32 107.13 1d2i s GLY 86 Ca -0.01 0.95 -0.11 0.00 0.00 0.00 0.00 44.72 45.55 1d2i s GLY 86 CO -0.07 0.64 0.48 1.25 0.00 0.00 0.00 173.10 175.40 1d2i s LYS 87 N -1.40 0.46 5.42 2.90 2.20 -0.51 -1.37 119.74 127.44 1d2i s LYS 87 Ca -0.11 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.43 1d2i s LYS 87 Cb -0.02 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 1d2i s LYS 87 CO 0.07 -0.17 0.00 0.54 -0.36 0.00 0.00 175.35 175.43 1d2i n ARG 88 N 4.41 0.00 -0.71 4.03 5.12 -1.25 -1.13 116.66 127.13 1d2i n ARG 88 Ca -0.21 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 55.79 1d2i n ARG 88 Cb 0.55 0.00 0.36 0.00 -1.16 0.00 0.00 32.46 32.21 1d2i n ARG 88 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1d2i n ASP 89 N 6.18 5.05 -4.24 0.55 5.75 -1.26 -1.95 116.55 126.62 1d2i n ASP 89 Ca 0.00 -2.74 -0.32 0.00 -0.01 0.00 0.00 54.79 51.72 1d2i n ASP 89 Cb 0.00 -0.61 -0.16 0.00 -1.03 0.00 0.00 41.12 39.31 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 -2.38 2.26 0.01 2.12 2.01 -0.28 -0.74 115.64 118.64 1d2i s THR 90 Ca 0.51 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.56 1d2i s THR 90 Cb 0.37 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1d2i s THR 90 CO 0.18 0.55 0.14 -0.22 -0.69 0.00 0.00 174.62 174.58 1d2i s LEU 91 N 0.44 4.15 -0.06 4.42 0.20 -0.73 -1.43 118.68 125.66 1d2i s LEU 91 Ca -0.15 0.23 0.02 0.00 0.69 0.00 0.00 54.13 54.91 1d2i s LEU 91 Cb -0.17 -2.52 0.02 0.00 -0.43 0.00 0.00 46.19 43.08 1d2i s LEU 91 CO 0.06 0.25 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.59 1d2i s VAL 92 N -1.31 0.94 -0.08 1.68 1.01 -0.02 -0.54 120.40 122.08 1d2i s VAL 92 Ca 0.27 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.95 1d2i s VAL 92 Cb -0.12 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1d2i s VAL 92 CO 0.18 0.32 -0.23 -1.61 0.00 0.00 0.00 175.10 173.77 1d2i s GLU 93 N 0.87 2.79 -0.29 2.72 0.41 0.13 -1.87 118.70 123.46 1d2i s GLU 93 Ca -0.11 -0.86 -0.07 0.00 -0.41 0.00 0.00 54.97 53.52 1d2i s GLU 93 Cb -0.15 -2.27 0.00 0.00 -1.78 0.00 0.00 34.13 29.93 1d2i s GLU 93 CO 0.01 0.32 0.09 0.08 -0.49 0.00 0.00 175.26 175.27 1d2i s VAL 94 N 0.00 4.12 -0.36 2.63 1.01 -1.26 -0.32 120.40 126.22 1d2i s VAL 94 Ca -0.08 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1d2i s VAL 94 Cb -0.15 -3.10 0.11 0.00 0.00 0.00 0.00 36.38 33.24 1d2i s VAL 94 CO 0.05 0.11 0.10 -1.58 0.00 0.00 0.00 175.10 173.78 1d2i s GLN 95 N 1.53 1.27 0.00 2.72 2.00 0.06 -4.89 119.66 122.36 1d2i s GLN 95 Ca 0.03 -1.71 0.06 0.00 -2.00 0.00 0.00 55.36 51.74 1d2i s GLN 95 Cb -0.17 -2.75 0.14 0.00 0.80 0.00 0.00 33.01 31.03 1d2i s GLN 95 CO 0.03 -0.99 1.02 1.19 -0.50 0.00 0.00 175.29 176.03 1d2i n PHE 96 N 4.25 0.19 -0.57 1.67 3.72 -1.26 -4.64 117.46 120.82 1d2i n PHE 96 Ca 0.03 -0.36 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 1d2i n PHE 96 Cb 0.40 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 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 0.16 0.00 -4.78 4.37 2.88 -1.26 -4.23 113.62 110.75 1d2i n SER 97 Ca 0.06 -0.52 -0.34 0.00 -1.33 0.00 0.00 58.87 56.74 1d2i n SER 97 Cb 0.29 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.77 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 5.56 0.53 -3.46 6.03 -1.26 -0.42 114.94 120.92 1d2i s ASN 98 Ca 0.00 2.00 0.32 0.00 -1.03 0.00 0.00 52.86 54.15 1d2i s ASN 98 Cb 0.00 -2.56 1.47 0.00 -3.03 0.00 0.00 41.25 37.13 1d2i s ASN 98 CO 0.00 -1.32 1.86 0.10 -2.03 0.00 0.00 177.10 175.71 1d2i h TYR 99 N 0.60 0.05 0.00 1.54 -0.00 -1.12 -0.51 116.97 117.53 1d2i h TYR 99 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 1d2i h TYR 99 Cb 1.24 -0.01 0.00 0.00 -0.00 0.00 0.00 36.73 37.96 1d2i h TYR 99 CO 0.55 0.01 0.00 -1.00 -0.00 0.00 0.00 178.16 177.72 1d2i h PRO 100 N 0.03 0.00 0.00 0.10 0.13 -1.90 -1.23 132.00 129.13 1d2i h PRO 100 Ca 0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.60 1d2i h PRO 100 Cb 1.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.95 1d2i h PRO 100 CO -0.02 0.00 -0.00 0.74 -0.23 0.00 0.00 178.00 178.48 1d2i h PHE 101 N 0.00 0.00 -0.10 1.56 0.04 -1.43 -2.00 116.94 115.01 1d2i h PHE 101 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1d2i h PHE 101 Cb 0.21 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 1d2i h PHE 101 CO 0.00 0.00 0.03 1.25 -0.60 0.00 0.00 178.31 178.99 1d2i h LEU 102 N 0.00 0.16 -0.76 1.54 7.12 -1.42 0.13 115.31 122.08 1d2i h LEU 102 Ca -0.00 -0.22 -0.13 0.00 0.13 0.00 0.00 57.88 57.65 1d2i h LEU 102 Cb 0.03 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.10 1d2i h LEU 102 CO 0.00 0.34 -0.59 -0.07 -0.13 0.00 0.00 178.44 177.99 1d2i h LEU 103 N -0.03 0.12 -0.38 2.25 3.38 -1.62 -0.63 115.31 118.39 1d2i h LEU 103 Ca 0.03 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1d2i h LEU 103 Cb 0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1d2i h LEU 103 CO -0.00 0.68 0.02 -1.13 0.09 0.00 0.00 178.44 178.10 1d2i h ASN 104 N 0.08 0.63 -0.27 -0.43 -0.73 -1.23 -0.11 115.58 113.52 1d2i h ASN 104 Ca -0.01 -0.29 -0.10 0.00 1.87 0.00 0.00 56.30 57.77 1d2i h ASN 104 Cb 1.06 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.47 1d2i h ASN 104 CO 0.08 0.77 -0.17 0.78 -0.37 0.00 0.00 177.43 178.52 1d2i h ASN 105 N 0.48 0.71 -0.08 1.15 -0.26 -0.57 -0.43 115.58 116.58 1d2i h ASN 105 Ca 0.11 -0.23 -0.02 0.00 -0.56 0.00 0.00 56.30 55.60 1d2i h ASN 105 Cb 0.43 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.49 1d2i h ASN 105 CO 0.02 0.89 -0.02 0.74 -1.06 0.00 0.00 177.43 177.99 1d2i h THR 106 N 0.64 1.30 -0.51 2.81 2.02 -0.97 -2.01 112.91 116.17 1d2i h THR 106 Ca 0.10 -0.95 -0.08 0.00 0.77 0.00 0.00 66.41 66.25 1d2i h THR 106 Cb 0.64 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 1d2i h THR 106 CO 0.05 0.26 0.01 0.58 0.37 0.00 0.00 175.52 176.79 1d2i h VAL 107 N -0.19 1.26 -0.34 3.16 2.07 -0.91 -1.14 116.25 120.16 1d2i h VAL 107 Ca 0.02 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.38 1d2i h VAL 107 Cb 0.43 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1d2i h VAL 107 CO 0.01 0.38 -0.14 0.08 0.02 0.00 0.00 177.57 177.91 1d2i h ARG 108 N 0.77 0.59 -0.82 1.57 0.11 -1.11 -0.81 114.38 114.68 1d2i h ARG 108 Ca 0.15 -0.19 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 1d2i h ARG 108 Cb 0.51 -0.05 -0.04 0.00 1.11 0.00 0.00 29.97 31.50 1d2i h ARG 108 CO 0.02 0.72 0.48 0.77 0.10 0.00 0.00 179.97 182.07 1d2i h SER 109 N 0.54 1.00 -0.34 0.08 0.02 -1.03 0.24 113.55 114.05 1d2i h SER 109 Ca 0.09 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1d2i h SER 109 Cb 0.56 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1d2i h SER 109 CO 0.04 0.77 0.15 -0.08 -1.14 0.00 0.00 176.83 176.57 1d2i h GLU 110 N 1.14 0.51 -0.20 3.45 4.57 -0.33 -1.39 114.58 122.31 1d2i h GLU 110 Ca 0.29 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.30 1d2i h GLU 110 Cb -0.03 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1d2i h GLU 110 CO -0.05 0.48 -0.28 -0.07 -1.18 0.00 0.00 179.01 177.91 1d2i h LEU 111 N 0.41 0.39 -0.88 1.64 3.38 -0.23 -0.35 115.31 119.68 1d2i h LEU 111 Ca 0.12 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1d2i h LEU 111 Cb 0.15 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1d2i h LEU 111 CO -0.01 0.67 0.01 -0.26 0.09 0.00 0.00 178.44 178.93 1d2i h PHE 112 N 0.34 0.90 -0.12 1.13 0.04 -0.29 -1.69 116.94 117.25 1d2i h PHE 112 Ca 0.05 -0.13 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 1d2i h PHE 112 Cb 0.67 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.57 1d2i h PHE 112 CO 0.02 0.82 -0.05 1.25 -0.60 0.00 0.00 178.31 179.74 1d2i h HIS 113 N 0.78 0.29 -0.72 -0.55 2.76 -0.80 -1.78 115.15 115.13 1d2i h HIS 113 Ca 0.15 -0.07 0.02 0.00 -2.20 0.00 0.00 60.37 58.27 1d2i h HIS 113 Cb 0.46 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.31 1d2i h HIS 113 CO 0.03 0.59 0.48 0.87 -1.30 0.00 0.00 177.93 178.59 1d2i h LYS 114 N -0.08 0.89 -0.33 5.26 1.79 -0.89 -2.18 116.57 121.02 1d2i h LYS 114 Ca 0.03 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1d2i h LYS 114 Cb 0.50 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1d2i h LYS 114 CO 0.02 0.59 0.00 -1.13 -1.08 0.00 0.00 179.45 177.84 1d2i n SER 115 N -4.44 2.85 -1.48 0.86 3.41 -0.65 -5.11 113.62 109.06 1d2i n SER 115 Ca 0.09 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 1d2i n SER 115 Cb 0.09 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1d2i n SER 115 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1d2i n ASN 116 N 1.09 -6.27 -4.36 4.04 4.13 -0.67 -5.05 115.26 108.17 1d2i n ASN 116 Ca 0.18 1.06 -0.32 0.00 1.68 0.00 0.00 54.58 57.18 1d2i n ASN 116 Cb 0.51 -4.13 -0.15 0.00 -1.54 0.00 0.00 39.78 34.46 1d2i n ASN 116 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1d2i s ASP 118 N -3.92 3.69 -0.02 6.41 1.01 -1.26 -4.70 116.67 117.87 1d2i s ASP 118 Ca 0.00 -0.36 -0.02 0.00 0.71 0.00 0.00 52.55 52.88 1d2i s ASP 118 Cb 0.00 -1.18 -0.01 0.00 1.01 0.00 0.00 42.92 42.74 1d2i s ASP 118 CO 0.00 0.23 -0.04 -0.38 0.21 0.00 0.00 175.17 175.20 1d2i n ILE 119 N 3.04 0.22 -3.38 0.77 2.08 0.24 -4.84 119.36 117.49 1d2i n ILE 119 Ca -0.18 0.45 -0.26 0.00 0.56 0.00 0.00 62.75 63.32 1d2i n ILE 119 Cb 0.52 -1.63 -0.09 0.00 -0.75 0.00 0.00 39.64 37.69 1d2i n ILE 119 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1d2i n ASP 120 N -2.69 0.65 0.00 4.38 2.03 -0.82 -4.85 116.55 115.24 1d2i n ASP 120 Ca -0.02 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.59 1d2i n ASP 120 Cb 0.06 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.84 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 1.99 -1.29 -3.92 -0.67 -0.58 -1.26 -3.97 120.64 110.94 1d2i n GLU 121 Ca 0.26 0.32 -0.10 0.00 -0.42 0.00 0.00 57.16 57.22 1d2i n GLU 121 Cb 0.47 -4.32 -0.11 0.00 -0.57 0.00 0.00 31.44 26.92 1d2i n GLU 121 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1d2i s GLU 122 N -1.31 0.37 0.00 3.49 2.02 -1.26 -5.06 118.70 116.95 1d2i s GLU 122 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1d2i s GLU 122 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.38 1d2i s GLU 122 CO 0.00 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.61 1d2i n GLY 123 N 1.63 -1.77 0.00 -1.39 0.00 -1.26 -0.59 105.19 101.81 1d2i n GLY 123 Ca -0.23 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.63 1.61 4.76 0.08 -4.55 118.16 116.43 1d2i n LYS 125 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1d2i n LYS 125 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 1d2i n LYS 125 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1d2i s VAL 126 N -0.08 0.03 0.04 -0.18 0.11 -1.18 -4.32 120.40 114.81 1d2i s VAL 126 Ca 0.00 -0.23 0.08 0.00 -2.93 0.00 0.00 61.98 58.90 1d2i s VAL 126 Cb 0.00 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1d2i s VAL 126 CO 0.00 -0.13 -0.23 0.00 -3.33 0.00 0.00 175.10 171.41 1d2i s ALA 127 N -1.34 2.38 -0.13 1.54 0.00 -0.63 -1.78 121.76 121.80 1d2i s ALA 127 Ca -0.12 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.63 1d2i s ALA 127 Cb -0.02 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 1d2i s ALA 127 CO 0.07 0.55 -0.18 0.42 0.00 0.00 0.00 175.76 176.61 1d2i s ILE 128 N -0.83 2.53 -0.20 0.00 1.01 0.29 -1.09 121.20 122.91 1d2i s ILE 128 Ca 0.13 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 1d2i s ILE 128 Cb -0.10 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.34 1d2i s ILE 128 CO 0.03 0.53 -0.14 -0.63 0.00 0.00 0.00 174.94 174.73 1d2i s ILE 129 N 0.54 2.56 -0.20 2.92 1.01 -0.40 -0.69 121.20 126.95 1d2i s ILE 129 Ca -0.11 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 1d2i s ILE 129 Cb -0.16 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 1d2i s ILE 129 CO 0.04 0.48 0.12 -0.63 0.00 0.00 0.00 174.94 174.96 1d2i s ILE 130 N 1.36 5.34 0.21 2.92 1.01 0.56 -0.54 121.20 132.06 1d2i s ILE 130 Ca 0.05 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.88 1d2i s ILE 130 Cb -0.14 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1d2i s ILE 130 CO -0.09 0.45 0.05 0.42 0.00 0.00 0.00 174.94 175.77 1d2i s THR 131 N 0.33 0.55 -0.01 2.92 -4.23 0.18 -0.76 115.64 114.63 1d2i s THR 131 Ca 0.08 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1d2i s THR 131 Cb -0.11 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 1d2i s THR 131 CO -0.02 -0.24 0.13 -1.59 -0.54 0.00 0.00 174.62 172.37 1d2i s LYS 132 N -3.99 3.26 0.67 3.99 -2.85 -1.26 -0.34 119.74 119.21 1d2i s LYS 132 Ca 0.31 -0.40 -0.16 0.00 -1.00 0.00 0.00 55.97 54.72 1d2i s LYS 132 Cb 0.07 -2.98 0.01 0.00 -2.06 0.00 0.00 37.83 32.86 1d2i s LYS 132 CO 0.09 0.66 1.14 0.20 0.10 0.00 0.00 175.35 177.54 1d2i s GLY 133 N -1.86 2.28 0.00 0.59 0.00 0.17 -0.27 107.32 108.23 1d2i s GLY 133 Ca 0.25 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.66 1d2i s GLY 133 CO 0.17 1.06 0.58 1.57 0.00 0.00 0.00 173.10 176.48 1d2i n HIS 134 N -2.37 0.00 0.00 1.90 -0.00 -1.26 -4.77 115.22 108.71 1d2i n HIS 134 Ca 0.11 -0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.12 1d2i n HIS 134 Cb 0.51 -0.43 0.00 0.00 -0.12 0.00 0.00 29.99 29.95 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 3.50 0.00 -2.06 1.57 3.72 -1.26 -4.71 117.46 118.22 1d2i n PHE 136 Ca 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 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 3.12 0.20 -1.08 0.04 -1.26 -4.85 135.00 131.17 1d2i s PRO 137 Ca 0.00 1.82 -0.23 0.00 0.04 0.00 0.00 61.00 62.63 1d2i s PRO 137 Cb 0.00 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.58 1d2i s PRO 137 CO 0.00 -1.09 0.89 0.00 0.04 0.00 0.00 177.00 176.85 1d2i s ALA 138 N -1.59 -1.48 0.58 8.56 0.00 -1.26 -1.20 121.76 125.37 1d2i s ALA 138 Ca 0.75 -0.08 -0.20 0.00 0.00 0.00 0.00 51.96 52.43 1d2i s ALA 138 Cb -0.30 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1d2i s ALA 138 CO 0.33 -1.04 1.16 -1.13 0.00 0.00 0.00 175.76 175.08 1d2i n SER 139 N -0.58 1.67 -4.74 0.00 3.41 -1.26 -4.87 113.62 107.25 1d2i n SER 139 Ca -0.05 0.88 -0.42 0.00 -0.26 0.00 0.00 58.87 59.02 1d2i n SER 139 Cb 0.60 -1.48 -0.00 0.00 -0.26 0.00 0.00 64.21 63.07 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 -1.01 3.38 0.00 4.04 3.02 -1.26 -2.28 115.26 121.15 1d2i n ASN 140 Ca 0.13 1.21 0.00 0.00 -0.03 0.00 0.00 54.58 55.89 1d2i n ASN 140 Cb 0.46 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.07 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 0.74 0.00 -4.77 6.41 7.64 -1.26 -4.98 113.62 117.40 1d2i n SER 141 Ca 0.03 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.51 1d2i n SER 141 Cb 0.37 -1.00 -0.01 0.00 -1.01 0.00 0.00 64.21 62.56 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 -2.61 6.62 0.51 6.43 1.04 -0.96 -0.58 113.70 124.15 1d2i s SER 142 Ca 0.00 2.81 -0.23 0.00 0.48 0.00 0.00 55.95 59.01 1d2i s SER 142 Cb 0.00 -2.66 -0.06 0.00 0.10 0.00 0.00 66.02 63.40 1d2i s SER 142 CO 0.00 -0.65 1.35 -0.11 0.98 0.00 0.00 173.24 174.81 1d2i n LEU 143 N 0.67 5.16 -4.15 2.42 7.94 0.44 -4.68 117.00 124.80 1d2i n LEU 143 Ca 0.00 1.02 -0.13 0.00 -1.11 0.00 0.00 56.01 55.80 1d2i n LEU 143 Cb 0.41 -1.57 -0.11 0.00 0.53 0.00 0.00 43.42 42.69 1d2i n LEU 143 CO 0.61 -0.54 -0.40 -0.72 -1.11 0.00 0.00 177.39 175.22 1d2i s TYR 144 N -1.26 0.93 0.19 1.96 1.13 -1.26 -4.52 117.35 114.52 1d2i s TYR 144 Ca 0.68 -0.71 -0.12 0.00 -1.41 0.00 0.00 57.07 55.51 1d2i s TYR 144 Cb -0.44 -0.52 0.21 0.00 -1.10 0.00 0.00 41.96 40.11 1d2i s TYR 144 CO 0.52 -0.06 1.72 -0.92 -2.51 0.00 0.00 175.55 174.30 1d2i h TYR 145 N 3.56 0.20 -0.53 -3.49 3.20 -0.94 -1.98 116.97 116.99 1d2i h TYR 145 Ca -0.36 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.47 1d2i h TYR 145 Cb 1.18 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 1d2i h TYR 145 CO 0.62 0.01 0.07 0.93 -1.64 0.00 0.00 178.16 178.15 1d2i h GLU 146 N 0.26 0.84 -0.38 1.82 3.07 -1.96 0.23 114.58 118.47 1d2i h GLU 146 Ca 0.26 -0.20 -0.04 0.00 -0.50 0.00 0.00 59.36 58.89 1d2i h GLU 146 Cb 0.35 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1d2i h GLU 146 CO -0.32 0.80 0.10 0.37 -1.40 0.00 0.00 179.01 178.55 1d2i h GLN 147 N 0.80 0.61 -0.59 2.33 4.15 -1.88 0.17 115.11 120.69 1d2i h GLN 147 Ca 0.17 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 1d2i h GLN 147 Cb 0.38 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 1d2i h GLN 147 CO 0.01 0.63 0.22 0.00 -1.93 0.00 0.00 178.83 177.76 1d2i h ALA 148 N 0.95 0.77 -0.30 3.38 0.00 -0.55 -0.54 119.26 122.97 1d2i h ALA 148 Ca 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1d2i h ALA 148 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1d2i h ALA 148 CO -0.00 0.41 0.18 1.96 0.00 0.00 0.00 179.25 181.79 1d2i h GLN 149 N 0.83 0.41 -0.83 0.00 4.20 -0.39 0.37 115.11 119.70 1d2i h GLN 149 Ca 0.20 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1d2i h GLN 149 Cb 0.23 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 1d2i h GLN 149 CO -0.01 0.33 0.48 -0.91 -0.67 0.00 0.00 178.83 178.04 1d2i h ASN 150 N 0.38 1.03 -0.11 1.46 2.35 -0.70 0.28 115.58 120.27 1d2i h ASN 150 Ca 0.11 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 1d2i h ASN 150 Cb 0.03 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.14 1d2i h ASN 150 CO -0.02 0.81 -0.23 1.56 -1.65 0.00 0.00 177.43 177.90 1d2i h GLN 151 N 1.15 0.35 -0.05 0.81 4.20 -0.81 -2.16 115.11 118.61 1d2i h GLN 151 Ca 0.30 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 1d2i h GLN 151 Cb 0.00 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1d2i h GLN 151 CO -0.05 0.83 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.49 1d2i h LEU 152 N -0.08 0.11 -0.76 1.46 3.38 -0.84 -1.07 115.31 117.51 1d2i h LEU 152 Ca 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1d2i h LEU 152 Cb 0.83 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1d2i h LEU 152 CO 0.05 0.49 0.35 0.78 0.09 0.00 0.00 178.44 180.20 1d2i h ASN 153 N 0.09 1.01 -0.32 -0.43 -0.26 -0.36 -0.16 115.58 115.14 1d2i h ASN 153 Ca 0.01 -0.14 -0.08 0.00 -0.56 0.00 0.00 56.30 55.52 1d2i h ASN 153 Cb 0.73 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.72 1d2i h ASN 153 CO 0.05 0.87 -0.12 -1.28 -1.06 0.00 0.00 177.43 175.89 1d2i h SER 154 N 1.08 0.66 -0.75 5.81 0.87 -0.91 -0.20 113.55 120.12 1d2i h SER 154 Ca 0.26 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1d2i h SER 154 Cb 0.14 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 1d2i h SER 154 CO -0.03 0.90 0.42 -0.07 -0.53 0.00 0.00 176.83 177.53 1d2i h LEU 155 N 0.42 0.93 -0.74 2.23 -0.00 -0.96 -1.90 115.31 115.29 1d2i h LEU 155 Ca 0.08 -0.07 -0.10 0.00 -0.00 0.00 0.00 57.88 57.78 1d2i h LEU 155 Cb 0.64 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.04 1d2i h LEU 155 CO 0.04 0.74 -0.17 0.00 -0.00 0.00 0.00 178.44 179.06 1d2i h ALA 156 N 1.41 0.93 -0.28 1.53 0.00 -0.76 -0.23 119.26 121.85 1d2i h ALA 156 Ca 0.27 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1d2i h ALA 156 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1d2i h ALA 156 CO -0.04 0.62 0.13 1.49 0.00 0.00 0.00 179.25 181.44 1d2i h GLU 157 N 0.70 0.39 -0.71 0.00 4.81 -0.28 -1.22 114.58 118.26 1d2i h GLU 157 Ca 0.11 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1d2i h GLU 157 Cb 0.67 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1d2i h GLU 157 CO 0.05 0.31 0.00 0.66 -0.73 0.00 0.00 179.01 179.30 1d2i n TYR 158 N -4.44 1.07 -3.90 0.92 4.01 -0.85 -4.96 117.16 109.01 1d2i n TYR 158 Ca 0.01 -0.51 -0.27 0.00 -0.16 0.00 0.00 57.90 56.97 1d2i n TYR 158 Cb 0.12 -0.05 0.01 0.00 -0.31 0.00 0.00 39.34 39.11 1d2i n TYR 158 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1d2i n ASN 159 N 1.53 -2.60 0.09 7.72 4.05 -0.46 -4.91 115.26 120.67 1d2i n ASN 159 Ca 0.25 -0.87 -0.22 0.00 0.45 0.00 0.00 54.58 54.18 1d2i n ASN 159 Cb 0.67 -3.61 -0.14 0.00 1.23 0.00 0.00 39.78 37.93 1d2i n ASN 159 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1d2i h VAL 160 N -1.89 1.33 -2.76 3.44 2.07 -1.34 -3.47 116.25 113.64 1d2i h VAL 160 Ca -0.60 -2.47 -0.57 0.00 0.82 0.00 0.00 66.70 63.88 1d2i h VAL 160 Cb 1.37 2.83 -0.16 0.00 -1.52 0.00 0.00 31.29 33.82 1d2i h VAL 160 CO 0.65 0.74 -0.77 0.72 0.02 0.00 0.00 177.57 178.93 1d2i s PHE 161 N -2.85 2.07 -0.09 1.57 -0.71 -1.26 -5.05 117.98 111.67 1d2i s PHE 161 Ca -0.10 -0.41 0.06 0.00 -1.04 0.00 0.00 56.93 55.43 1d2i s PHE 161 Cb 0.04 -0.96 -0.09 0.00 -1.21 0.00 0.00 43.02 40.81 1d2i s PHE 161 CO 0.91 0.52 0.17 -0.25 -1.34 0.00 0.00 175.22 175.23 1d2i n ASP 162 N -0.22 2.66 -4.75 1.98 8.00 -1.26 -4.95 116.55 118.01 1d2i n ASP 162 Ca -0.09 -0.18 -0.41 0.00 0.71 0.00 0.00 54.79 54.82 1d2i n ASP 162 Cb 0.59 1.20 -0.02 0.00 -0.02 0.00 0.00 41.12 42.87 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 -2.19 2.85 0.15 2.53 0.11 -1.26 -4.84 120.40 117.74 1d2i s VAL 163 Ca -0.01 0.74 -0.31 0.00 -2.93 0.00 0.00 61.98 59.47 1d2i s VAL 163 Cb 0.04 -3.47 -0.08 0.00 -1.53 0.00 0.00 36.38 31.34 1d2i s VAL 163 CO 0.25 0.13 1.36 -2.84 -3.33 0.00 0.00 175.10 170.67 1d2i s PRO 164 N -0.66 4.35 -0.05 1.54 0.02 -1.26 -4.59 135.00 134.34 1d2i s PRO 164 Ca 0.56 2.07 0.01 0.00 0.02 0.00 0.00 61.00 63.66 1d2i s PRO 164 Cb -0.40 -3.22 0.02 0.00 0.02 0.00 0.00 34.50 30.92 1d2i s PRO 164 CO 0.44 -0.36 -0.06 0.42 -0.33 0.00 0.00 177.00 177.11 1d2i s ILE 165 N 0.68 0.66 -0.30 2.83 1.01 -0.85 -1.61 121.20 123.63 1d2i s ILE 165 Ca 0.61 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.97 1d2i s ILE 165 Cb -0.37 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 1d2i s ILE 165 CO 0.34 0.25 0.16 -0.60 0.00 0.00 0.00 174.94 175.09 1d2i s ARG 166 N 0.88 3.50 -0.15 2.79 3.52 -0.25 -0.81 118.95 128.43 1d2i s ARG 166 Ca -0.12 -0.61 -0.15 0.00 -0.13 0.00 0.00 55.73 54.72 1d2i s ARG 166 Cb -0.15 -3.57 -0.05 0.00 -1.56 0.00 0.00 34.95 29.63 1d2i s ARG 166 CO 0.01 -0.35 0.35 -1.17 -0.81 0.00 0.00 175.30 173.33 1d2i s LEU 167 N 1.65 4.25 -0.07 -0.88 2.96 0.71 -1.27 118.68 126.03 1d2i s LEU 167 Ca 0.05 0.60 0.04 0.00 -0.22 0.00 0.00 54.13 54.61 1d2i s LEU 167 Cb -0.17 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 1d2i s LEU 167 CO 0.07 0.07 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.27 1d2i s VAL 168 N 0.50 2.42 -0.13 1.68 1.01 0.29 -1.13 120.40 125.05 1d2i s VAL 168 Ca 0.19 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1d2i s VAL 168 Cb -0.14 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1d2i s VAL 168 CO 0.06 0.56 -0.15 -0.83 0.00 0.00 0.00 175.10 174.74 1d2i s GLY 169 N -0.11 1.49 -0.12 4.51 0.00 0.72 -0.65 107.32 113.17 1d2i s GLY 169 Ca -0.04 -0.95 -0.21 0.00 0.00 0.00 0.00 44.72 43.52 1d2i s GLY 169 CO 0.04 -0.14 0.62 1.08 0.00 0.00 0.00 173.10 174.70 1d2i s LEU 170 N 0.49 4.25 0.27 0.66 1.43 0.53 -1.18 118.68 125.13 1d2i s LEU 170 Ca -0.10 0.98 -0.02 0.00 -1.03 0.00 0.00 54.13 53.96 1d2i s LEU 170 Cb -0.16 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 1d2i s LEU 170 CO 0.05 -0.13 0.29 0.27 0.23 0.00 0.00 176.35 177.06 1d2i s ILE 171 N 1.09 0.00 0.07 -0.59 -4.36 -0.09 -0.66 121.20 116.66 1d2i s ILE 171 Ca 0.32 -1.81 -0.04 0.00 -0.26 0.00 0.00 60.65 58.85 1d2i s ILE 171 Cb -0.16 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.05 1d2i s ILE 171 CO 0.13 0.00 0.06 -1.61 0.24 0.00 0.00 174.94 173.77 1d2i s GLU 172 N -3.76 0.72 0.49 0.37 0.41 -1.26 -0.41 118.70 115.25 1d2i s GLU 172 Ca 0.35 -1.12 -0.20 0.00 -0.41 0.00 0.00 54.97 53.58 1d2i s GLU 172 Cb 0.03 0.27 -0.08 0.00 -1.78 0.00 0.00 34.13 32.56 1d2i s GLU 172 CO 0.17 -0.18 1.05 -0.51 -0.49 0.00 0.00 175.26 175.29 1d2i s ASP 173 N -2.90 6.30 0.53 -0.19 1.01 -1.26 -5.03 116.67 115.14 1d2i s ASP 173 Ca 0.07 1.96 -0.10 0.00 0.71 0.00 0.00 52.55 55.18 1d2i s ASP 173 Cb 0.07 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.38 1d2i s ASP 173 CO -0.10 -0.81 0.92 -0.36 0.21 0.00 0.00 175.17 175.03 1d2i s PHE 174 N -1.94 3.56 -1.30 4.23 0.40 -1.26 -4.29 117.98 117.38 1d2i s PHE 174 Ca 0.67 1.15 0.00 0.00 -0.60 0.00 0.00 56.93 58.16 1d2i s PHE 174 Cb -0.17 -2.58 0.00 0.00 0.51 0.00 0.00 43.02 40.78 1d2i s PHE 174 CO 0.21 -0.43 0.00 0.39 0.70 0.00 0.00 175.22 176.09 1d2i n GLU 175 N -2.19 -1.97 -4.67 0.44 -0.58 0.79 -4.95 120.64 107.50 1d2i n GLU 175 Ca 0.04 0.73 -0.25 0.00 -0.42 0.00 0.00 57.16 57.26 1d2i n GLU 175 Cb 0.54 -5.30 -0.16 0.00 -0.57 0.00 0.00 31.44 25.95 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 -2.66 1.23 0.16 2.62 2.01 -1.26 -5.01 115.64 112.73 1d2i s THR 176 Ca 0.00 -0.56 -0.32 0.00 0.31 0.00 0.00 61.69 61.13 1d2i s THR 176 Cb 0.00 -1.10 -0.10 0.00 0.01 0.00 0.00 72.50 71.30 1d2i s THR 176 CO 0.00 0.37 1.65 -1.81 -0.69 0.00 0.00 174.62 174.14 1d2i s ASP 177 N 0.48 6.52 0.23 3.53 1.01 -1.26 -4.51 116.67 122.66 1d2i s ASP 177 Ca -0.12 2.68 0.02 0.00 0.71 0.00 0.00 52.55 55.84 1d2i s ASP 177 Cb -0.15 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.15 1d2i s ASP 177 CO 0.04 -0.89 0.06 0.27 0.21 0.00 0.00 175.17 174.86 1d2i s ILE 178 N 1.51 0.62 0.11 0.77 -4.36 0.48 -4.94 121.20 115.39 1d2i s ILE 178 Ca 0.73 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.82 1d2i s ILE 178 Cb -0.45 -2.46 -0.06 0.00 1.25 0.00 0.00 42.46 40.74 1d2i s ILE 178 CO 0.32 -0.16 0.97 -1.81 0.24 0.00 0.00 174.94 174.49 1d2i s ASP 179 N -3.27 7.49 0.02 4.36 1.01 -1.26 -1.44 116.67 123.58 1d2i s ASP 179 Ca 0.33 1.80 0.02 0.00 0.71 0.00 0.00 52.55 55.41 1d2i s ASP 179 Cb 0.07 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 1d2i s ASP 179 CO 0.10 -0.08 -0.07 -0.63 0.21 0.00 0.00 175.17 174.71 1d2i s ILE 180 N 0.03 0.50 -0.21 0.77 1.01 0.11 -2.92 121.20 120.49 1d2i s ILE 180 Ca 0.47 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 60.48 1d2i s ILE 180 Cb -0.23 -0.48 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 1d2i s ILE 180 CO 0.30 -0.09 -0.02 -0.69 0.00 0.00 0.00 174.94 174.44 1d2i s VAL 181 N -0.66 3.65 -0.16 2.92 1.01 0.34 -0.80 120.40 126.70 1d2i s VAL 181 Ca -0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 1d2i s VAL 181 Cb -0.05 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1d2i s VAL 181 CO 0.00 0.43 -0.10 -0.55 0.00 0.00 0.00 175.10 174.88 1d2i s SER 182 N 1.21 4.12 0.03 3.32 0.15 -0.14 -0.75 113.70 121.64 1d2i s SER 182 Ca 0.03 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.39 1d2i s SER 182 Cb -0.14 -1.66 -0.02 0.00 -1.71 0.00 0.00 66.02 62.48 1d2i s SER 182 CO -0.00 0.10 -0.17 -0.89 1.20 0.00 0.00 173.24 173.48 1d2i s THR 183 N 0.77 1.36 -0.16 6.45 2.01 -0.68 -1.51 115.64 123.88 1d2i s THR 183 Ca -0.04 -1.04 -0.00 0.00 0.31 0.00 0.00 61.69 60.91 1d2i s THR 183 Cb -0.15 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 1d2i s THR 183 CO 0.01 0.13 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.05 1d2i s THR 184 N -0.77 2.88 0.56 -0.82 2.01 0.11 -4.38 115.64 115.23 1d2i s THR 184 Ca 0.05 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.38 1d2i s THR 184 Cb -0.08 -2.23 0.06 0.00 0.01 0.00 0.00 72.50 70.26 1d2i s THR 184 CO 0.01 0.51 0.78 -0.31 -0.69 0.00 0.00 174.62 174.92 1d2i s TYR 185 N 0.76 2.35 0.32 4.92 2.02 -1.26 -0.56 117.35 125.90 1d2i s TYR 185 Ca -0.05 -0.27 0.24 0.00 -0.37 0.00 0.00 57.07 56.62 1d2i s TYR 185 Cb -0.15 -2.64 1.17 0.00 -0.40 0.00 0.00 41.96 39.95 1d2i s TYR 185 CO 0.01 -1.00 1.96 0.00 -1.57 0.00 0.00 175.55 174.95 1d2i h ALA 186 N 0.09 1.21 -3.00 3.71 0.00 -0.96 -3.42 119.26 116.88 1d2i h ALA 186 Ca -0.38 -0.18 -0.34 0.00 0.00 0.00 0.00 54.91 54.00 1d2i h ALA 186 Cb 1.29 -0.03 -0.19 0.00 0.00 0.00 0.00 17.79 18.85 1d2i h ALA 186 CO 0.46 0.24 -0.75 -0.51 0.00 0.00 0.00 179.25 178.70 1d2i s ASP 187 N -6.28 1.45 0.26 0.00 1.01 -1.26 -5.05 116.67 106.80 1d2i s ASP 187 Ca -0.02 -0.71 0.23 0.00 0.71 0.00 0.00 52.55 52.76 1d2i s ASP 187 Cb 0.12 -0.01 1.00 0.00 1.01 0.00 0.00 42.92 45.05 1d2i s ASP 187 CO 0.62 -0.19 1.69 0.29 0.21 0.00 0.00 175.17 177.79 1d2i n LYS 188 N 0.91 0.18 -3.91 8.23 5.02 -1.26 -4.34 118.16 122.99 1d2i n LYS 188 Ca -0.19 0.46 -0.11 0.00 -2.02 0.00 0.00 58.31 56.45 1d2i n LYS 188 Cb 0.56 -1.88 -0.13 0.00 -0.02 0.00 0.00 35.03 33.56 1d2i n LYS 188 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1d2i s ARG 189 N -3.35 0.12 0.00 1.97 0.52 -1.26 -4.62 118.95 112.34 1d2i s ARG 189 Ca 0.03 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 1d2i s ARG 189 Cb 0.09 0.04 0.00 0.00 0.52 0.00 0.00 34.95 35.60 1d2i s ARG 189 CO 0.35 -0.02 0.00 0.66 0.02 0.00 0.00 175.30 176.31 1d2i n TYR 190 N 2.53 0.00 -1.72 -0.53 4.01 -1.26 -4.97 117.16 115.22 1d2i n TYR 190 Ca -0.16 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.15 1d2i n TYR 190 Cb 0.58 -0.11 -0.01 0.00 -0.31 0.00 0.00 39.34 39.50 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 0.25 3.02 -0.60 7.72 2.88 -1.26 -4.89 113.62 120.75 1d2i n SER 191 Ca 0.00 1.21 0.05 0.00 -1.33 0.00 0.00 58.87 58.80 1d2i n SER 191 Cb 0.00 -1.52 0.14 0.00 -0.75 0.00 0.00 64.21 62.08 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 0.59 2.73 -3.08 -1.46 1.74 -1.26 -4.84 116.66 111.08 1d2i n ARG 192 Ca 0.04 -1.97 -0.42 0.00 -0.77 0.00 0.00 57.85 54.73 1d2i n ARG 192 Cb 0.37 -1.25 -0.06 0.00 -1.02 0.00 0.00 32.46 30.49 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 4.88 0.06 0.55 2.01 -1.26 -5.01 115.64 115.88 1d2i s THR 193 Ca 0.21 0.79 -0.31 0.00 0.31 0.00 0.00 61.69 62.70 1d2i s THR 193 Cb 0.11 -4.07 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 1d2i s THR 193 CO 0.15 -0.26 1.20 -0.63 -0.69 0.00 0.00 174.62 174.39 1d2i s ILE 194 N 2.75 4.03 -0.20 1.82 1.01 -1.26 -0.28 121.20 129.07 1d2i s ILE 194 Ca 0.26 1.46 0.01 0.00 0.00 0.00 0.00 60.65 62.39 1d2i s ILE 194 Cb -0.14 -3.94 -0.13 0.00 0.01 0.00 0.00 42.46 38.26 1d2i s ILE 194 CO 0.14 0.11 -0.18 0.41 0.00 0.00 0.00 174.94 175.43 1d2i n THR 195 N 3.92 1.13 -3.75 2.92 -1.04 0.28 -4.81 114.28 112.93 1d2i n THR 195 Ca 0.09 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.05 61.55 1d2i n THR 195 Cb 0.46 -1.21 -0.11 0.00 -1.82 0.00 0.00 70.33 67.65 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 -2.39 0.35 -0.03 -2.82 2.47 -0.68 -4.99 119.74 111.64 1d2i s LYS 196 Ca -0.27 0.51 -0.01 0.00 -1.56 0.00 0.00 55.97 54.65 1d2i s LYS 196 Cb 0.07 0.10 0.03 0.00 -1.46 0.00 0.00 37.83 36.57 1d2i s LYS 196 CO 0.45 -0.08 0.07 0.50 0.16 0.00 0.00 175.35 176.45 1d2i s ARG 197 N 0.55 0.01 -0.00 4.03 3.52 -1.26 0.04 118.95 125.83 1d2i s ARG 197 Ca -0.03 0.24 0.05 0.00 -0.13 0.00 0.00 55.73 55.86 1d2i s ARG 197 Cb -0.05 -0.21 -0.01 0.00 -1.56 0.00 0.00 34.95 33.12 1d2i s ARG 197 CO -0.03 -0.16 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.63 1d2i s ASP 198 N 1.05 1.85 -0.25 -2.12 1.01 -0.57 -4.99 116.67 112.65 1d2i s ASP 198 Ca -0.09 -0.32 -0.11 0.00 0.71 0.00 0.00 52.55 52.75 1d2i s ASP 198 Cb -0.12 -0.19 -0.05 0.00 1.01 0.00 0.00 42.92 43.57 1d2i s ASP 198 CO -0.04 0.17 0.18 -0.89 0.21 0.00 0.00 175.17 174.80 1d2i s THR 199 N -0.45 5.34 0.31 -1.27 2.01 -1.26 -0.97 115.64 119.35 1d2i s THR 199 Ca 0.06 0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.32 1d2i s THR 199 Cb -0.06 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1d2i s THR 199 CO -0.00 0.32 0.28 0.68 -0.69 0.00 0.00 174.62 175.20 1d2i s VAL 200 N 1.25 0.00 0.18 3.82 -7.23 0.02 -5.00 120.40 113.44 1d2i s VAL 200 Ca 0.08 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.34 1d2i s VAL 200 Cb -0.14 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 1d2i s VAL 200 CO 0.06 0.00 0.26 -0.54 -0.31 0.00 0.00 175.10 174.58 1d2i s LYS 201 N -3.50 3.29 0.00 4.82 -0.14 -1.26 -0.71 119.74 122.24 1d2i s LYS 201 Ca 0.39 -0.72 0.00 0.00 -1.36 0.00 0.00 55.97 54.28 1d2i s LYS 201 Cb 0.03 -2.85 0.00 0.00 -1.68 0.00 0.00 37.83 33.32 1d2i s LYS 201 CO 0.25 0.48 0.00 0.41 -0.76 0.00 0.00 175.35 175.73 1d2i n GLY 202 N -0.75 1.28 3.63 -3.33 0.00 -0.52 -0.84 105.19 104.66 1d2i n GLY 202 Ca -0.08 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.12 1.37 -0.29 1.61 -2.85 -0.36 -0.39 119.74 117.71 1d2i s LYS 203 Ca 0.00 -0.65 -0.06 0.00 -1.00 0.00 0.00 55.97 54.26 1d2i s LYS 203 Cb 0.00 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.32 1d2i s LYS 203 CO 0.00 -0.62 0.06 0.08 0.10 0.00 0.00 175.35 174.98 1d2i s VAL 204 N -3.65 3.82 0.07 1.79 1.01 -1.26 -1.11 120.40 121.07 1d2i s VAL 204 Ca 0.07 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 1d2i s VAL 204 Cb -0.03 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1d2i s VAL 204 CO -0.03 0.09 0.88 -0.63 0.00 0.00 0.00 175.10 175.41 1d2i s ILE 205 N 1.48 4.63 -0.18 2.22 1.01 0.76 -0.15 121.20 130.97 1d2i s ILE 205 Ca 0.02 1.88 -0.05 0.00 0.00 0.00 0.00 60.65 62.50 1d2i s ILE 205 Cb -0.17 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 1d2i s ILE 205 CO 0.02 0.32 -0.00 -0.62 0.00 0.00 0.00 174.94 174.66 1d2i s ASP 206 N 0.07 4.99 0.00 3.58 2.15 -1.26 -1.52 116.67 124.68 1d2i s ASP 206 Ca 0.44 -0.11 0.18 0.00 0.43 0.00 0.00 52.55 53.49 1d2i s ASP 206 Cb -0.22 -1.84 0.19 0.00 -0.30 0.00 0.00 42.92 40.75 1d2i s ASP 206 CO 0.27 0.13 1.12 0.35 -0.17 0.00 0.00 175.17 176.87 1d2i n THR 207 N 3.82 0.12 -2.15 1.71 -2.24 -1.26 -4.99 114.28 109.28 1d2i n THR 207 Ca -0.17 -0.56 -0.36 0.00 -2.27 0.00 0.00 64.05 60.69 1d2i n THR 207 Cb 0.52 1.28 0.01 0.00 -2.10 0.00 0.00 70.33 70.05 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 -1.47 5.53 0.11 3.42 0.01 -1.26 -5.06 114.94 116.21 1d2i s ASN 208 Ca 0.24 2.28 0.02 0.00 -0.71 0.00 0.00 52.86 54.69 1d2i s ASN 208 Cb 0.16 -2.59 -0.22 0.00 0.41 0.00 0.00 41.25 39.01 1d2i s ASN 208 CO 0.23 -1.36 1.24 0.74 -1.51 0.00 0.00 177.10 176.44 1d2i h THR 209 N 1.12 1.61 -3.15 1.60 2.02 -2.06 -3.52 112.91 110.53 1d2i h THR 209 Ca -0.50 -3.20 -0.66 0.00 0.77 0.00 0.00 66.41 62.83 1d2i h THR 209 Cb 1.28 2.85 -0.35 0.00 -1.74 0.00 0.00 68.15 70.18 1d2i h THR 209 CO 0.56 0.92 -0.85 -0.13 0.37 0.00 0.00 175.52 176.40 1d2i s ARG 215 N -2.74 2.78 0.24 6.66 1.81 -1.26 -5.28 118.95 121.16 1d2i s ARG 215 Ca -0.01 -0.83 -0.02 0.00 -1.72 0.00 0.00 55.73 53.15 1d2i s ARG 215 Cb 0.09 -2.51 -0.05 0.00 -0.45 0.00 0.00 34.95 32.03 1d2i s ARG 215 CO 0.85 -0.25 0.45 0.15 -0.68 0.00 0.00 175.30 175.82 1d2i s LYS 216 N 1.31 3.56 0.63 3.54 1.02 -1.26 -5.06 119.74 123.48 1d2i s LYS 216 Ca 0.04 -0.21 -0.14 0.00 0.02 0.00 0.00 55.97 55.68 1d2i s LYS 216 Cb -0.14 -2.76 -0.02 0.00 -0.52 0.00 0.00 37.83 34.39 1d2i s LYS 216 CO -0.12 0.33 1.06 1.03 -0.92 0.00 0.00 175.35 176.73 1d2i s ARG 217 N -3.41 3.15 0.72 1.68 0.52 -1.26 -4.85 118.95 115.49 1d2i s ARG 217 Ca 0.41 1.15 -0.08 0.00 -0.52 0.00 0.00 55.73 56.68 1d2i s ARG 217 Cb -0.11 -2.01 0.16 0.00 0.52 0.00 0.00 34.95 33.51 1d2i s ARG 217 CO 0.29 -0.94 0.98 0.41 0.02 0.00 0.00 175.30 176.06 1d2i n GLY 218 N -1.22 -0.60 3.21 -3.53 0.00 -1.26 -4.75 105.19 97.04 1d2i n GLY 218 Ca 0.09 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 1d2i n GLY 218 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d2i s THR 219 N -3.02 2.02 -0.12 2.61 2.01 -0.57 -4.24 115.64 114.33 1d2i s THR 219 Ca 0.59 -1.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.42 1d2i s THR 219 Cb -0.02 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 1d2i s THR 219 CO 0.40 0.55 0.44 -0.63 -0.69 0.00 0.00 174.62 174.69 1d2i s ILE 220 N 0.35 5.20 0.09 1.82 1.01 -1.26 -0.17 121.20 128.24 1d2i s ILE 220 Ca -0.19 0.87 0.07 0.00 0.00 0.00 0.00 60.65 61.41 1d2i s ILE 220 Cb -0.18 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 1d2i s ILE 220 CO 0.09 0.35 -0.18 0.68 0.00 0.00 0.00 174.94 175.88 1d2i s VAL 221 N 0.49 1.48 0.20 2.92 -7.23 -0.27 -4.64 120.40 113.34 1d2i s VAL 221 Ca 0.24 -1.46 0.09 0.00 -1.81 0.00 0.00 61.98 59.04 1d2i s VAL 221 Cb -0.15 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1d2i s VAL 221 CO 0.09 -0.13 -0.18 0.42 -0.31 0.00 0.00 175.10 174.99 1d2i s THR 222 N -1.24 1.96 -1.80 5.32 -4.23 -1.26 -1.23 115.64 113.17 1d2i s THR 222 Ca 0.03 -2.08 0.14 0.00 -1.18 0.00 0.00 61.69 58.61 1d2i s THR 222 Cb -0.10 -1.99 0.11 0.00 1.34 0.00 0.00 72.50 71.86 1d2i s THR 222 CO 0.03 -0.37 0.96 -1.22 -0.54 0.00 0.00 174.62 173.48