#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g7m h PRO 2 N 0.00 0.00 -5.65 0.00 0.13 -1.87 -3.43 132.00 121.18 3g7m h PRO 2 Ca 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 3g7m h PRO 2 Cb 0.00 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 30.87 3g7m h PRO 2 CO 0.00 0.60 -0.78 -1.17 -0.23 0.00 0.00 178.00 176.43 3g7m s LEU 3 N -6.30 2.65 -0.06 1.56 2.96 -0.84 -0.36 118.68 118.30 3g7m s LEU 3 Ca -0.00 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 3g7m s LEU 3 Cb 0.09 -1.57 0.02 0.00 0.50 0.00 0.00 46.19 45.23 3g7m s LEU 3 CO 0.80 0.22 -0.03 -0.89 -1.32 0.00 0.00 176.35 175.13 3g7m s THR 4 N 0.00 0.52 -0.26 3.68 2.01 -0.04 0.76 115.64 122.31 3g7m s THR 4 Ca -0.04 -0.06 -0.05 0.00 0.31 0.00 0.00 61.69 61.85 3g7m s THR 4 Cb -0.14 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.78 3g7m s THR 4 CO 0.04 0.24 0.01 -0.63 -0.69 0.00 0.00 174.62 173.60 3g7m s ILE 5 N 1.29 3.64 -0.08 1.82 1.01 -0.63 -1.08 121.20 127.17 3g7m s ILE 5 Ca -0.05 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3g7m s ILE 5 Cb -0.14 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 3g7m s ILE 5 CO -0.02 0.25 -0.11 -0.89 0.00 0.00 0.00 174.94 174.17 3g7m s THR 6 N 1.48 3.33 -0.42 2.92 2.01 0.94 -0.13 115.64 125.77 3g7m s THR 6 Ca 0.04 -0.60 -0.12 0.00 0.31 0.00 0.00 61.69 61.31 3g7m s THR 6 Cb -0.16 -2.36 0.05 0.00 0.01 0.00 0.00 72.50 70.05 3g7m s THR 6 CO -0.00 0.57 0.28 0.21 -0.69 0.00 0.00 174.62 174.99 3g7m s ASN 7 N -0.42 5.86 -0.03 3.53 2.47 -0.64 -0.70 114.94 125.01 3g7m s ASN 7 Ca 0.05 -1.22 0.18 0.00 0.42 0.00 0.00 52.86 52.30 3g7m s ASN 7 Cb -0.12 -2.07 0.55 0.00 -1.45 0.00 0.00 41.25 38.16 3g7m s ASN 7 CO 0.02 -0.50 1.47 0.54 -3.72 0.00 0.00 177.10 174.90 3g7m n ARG 8 N 5.05 2.97 -1.81 0.43 1.74 0.14 -1.14 116.66 124.04 3g7m n ARG 8 Ca -0.11 -2.53 -0.31 0.00 -0.77 0.00 0.00 57.85 54.13 3g7m n ARG 8 Cb 0.45 -1.55 0.02 0.00 -1.02 0.00 0.00 32.46 30.36 3g7m n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g7m n HIS 10 N -2.87 0.07 -4.29 0.00 8.25 -1.26 -4.46 115.22 110.66 3g7m n HIS 10 Ca 0.06 -0.03 -0.16 0.00 -0.26 0.00 0.00 57.72 57.33 3g7m n HIS 10 Cb 0.54 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.55 3g7m n HIS 10 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3g7m s PHE 11 N -1.93 1.48 0.13 4.41 -0.71 -1.26 -4.87 117.98 115.23 3g7m s PHE 11 Ca 0.25 -0.66 -0.31 0.00 -1.04 0.00 0.00 56.93 55.17 3g7m s PHE 11 Cb 0.12 -0.72 -0.09 0.00 -1.21 0.00 0.00 43.02 41.12 3g7m s PHE 11 CO 0.20 0.21 1.49 0.99 -1.34 0.00 0.00 175.22 176.76 3g7m s THR 12 N -3.07 2.97 0.15 -4.49 2.01 -1.26 -4.24 115.64 107.71 3g7m s THR 12 Ca 0.19 0.69 0.09 0.00 0.31 0.00 0.00 61.69 62.96 3g7m s THR 12 Cb 0.00 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 3g7m s THR 12 CO 0.04 0.05 -0.14 0.68 -0.69 0.00 0.00 174.62 174.56 3g7m s VAL 13 N 1.20 3.03 -0.64 3.82 -7.23 -0.67 -4.50 120.40 115.40 3g7m s VAL 13 Ca 0.68 -1.60 -0.01 0.00 -1.81 0.00 0.00 61.98 59.24 3g7m s VAL 13 Cb -0.40 -2.45 0.16 0.00 0.56 0.00 0.00 36.38 34.25 3g7m s VAL 13 CO 0.31 -0.02 0.45 0.26 -0.31 0.00 0.00 175.10 175.78 3g7m s TRP 14 N -1.47 3.41 0.51 2.82 0.51 0.30 -0.44 118.94 124.58 3g7m s TRP 14 Ca 0.22 -2.90 -0.22 0.00 -2.12 0.00 0.00 56.10 51.07 3g7m s TRP 14 Cb -0.10 -3.09 -0.06 0.00 -0.81 0.00 0.00 33.47 29.42 3g7m s TRP 14 CO 0.13 -0.78 1.27 -2.14 -0.51 0.00 0.00 176.95 174.92 3g7m s PRO 15 N -0.38 3.41 -0.04 4.98 0.02 -1.21 -1.47 135.00 140.32 3g7m s PRO 15 Ca 0.19 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.25 3g7m s PRO 15 Cb -0.19 -2.32 0.02 0.00 0.02 0.00 0.00 34.50 32.03 3g7m s PRO 15 CO -0.04 -0.91 -0.04 0.00 -0.33 0.00 0.00 177.00 175.68 3g7m s ALA 16 N -1.41 0.60 -0.14 -1.55 0.00 0.97 -2.79 121.76 117.44 3g7m s ALA 16 Ca 0.68 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.64 3g7m s ALA 16 Cb -0.35 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.38 3g7m s ALA 16 CO 0.42 -0.01 -0.18 0.08 0.00 0.00 0.00 175.76 176.07 3g7m s VAL 17 N 0.90 2.50 -0.02 0.00 1.01 0.12 -1.63 120.40 123.28 3g7m s VAL 17 Ca -0.11 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3g7m s VAL 17 Cb -0.14 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.23 3g7m s VAL 17 CO -0.00 0.53 -0.00 0.00 0.00 0.00 0.00 175.10 175.63 3g7m s ALA 18 N 0.69 0.29 0.60 5.51 0.00 -0.30 -0.50 121.76 128.06 3g7m s ALA 18 Ca -0.08 0.13 -0.19 0.00 0.00 0.00 0.00 51.96 51.82 3g7m s ALA 18 Cb -0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 3g7m s ALA 18 CO 0.02 -0.05 1.24 -0.51 0.00 0.00 0.00 175.76 176.46 3g7m s LEU 19 N 0.84 3.65 0.45 0.00 1.02 -1.26 0.13 118.68 123.51 3g7m s LEU 19 Ca -0.08 2.47 0.15 0.00 0.02 0.00 0.00 54.13 56.69 3g7m s LEU 19 Cb -0.12 -4.59 1.01 0.00 0.02 0.00 0.00 46.19 42.52 3g7m s LEU 19 CO -0.01 -1.70 1.99 -0.37 0.02 0.00 0.00 176.35 176.27 3g7m h VAL 20 N 0.83 1.11 -0.27 -1.59 -1.51 -1.74 -3.03 116.25 110.04 3g7m h VAL 20 Ca -0.51 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.30 3g7m h VAL 20 Cb 1.31 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 3g7m h VAL 20 CO 0.55 0.19 0.00 0.18 -1.23 0.00 0.00 177.57 177.25 3g7m n LEU 21 N -4.27 2.70 -4.83 4.19 4.77 -1.26 -4.91 117.00 113.38 3g7m n LEU 21 Ca -0.02 -1.83 -0.32 0.00 -0.03 0.00 0.00 56.01 53.80 3g7m n LEU 21 Cb 0.25 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3g7m n LEU 21 CO 0.36 0.66 -0.22 0.00 -1.33 0.00 0.00 177.39 176.86 3g7m s ALA 22 N -0.98 3.73 0.35 -1.18 0.00 -1.15 -5.03 121.76 117.52 3g7m s ALA 22 Ca 0.20 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.29 3g7m s ALA 22 Cb 0.11 -1.64 0.65 0.00 0.00 0.00 0.00 23.12 22.24 3g7m s ALA 22 CO 0.14 0.75 2.00 1.96 0.00 0.00 0.00 175.76 180.62 3g7m h GLN 23 N 3.56 0.79 0.00 0.00 4.20 -1.95 -3.43 115.11 118.28 3g7m h GLN 23 Ca -0.47 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.18 3g7m h GLN 23 Cb 1.17 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.78 3g7m h GLN 23 CO 0.68 0.54 0.00 0.41 -0.67 0.00 0.00 178.83 179.79 3g7m n GLY 24 N -1.39 4.36 0.14 3.46 0.00 -1.26 -3.05 105.19 107.44 3g7m n GLY 24 Ca 0.06 -1.72 -0.00 0.00 0.00 0.00 0.00 46.02 44.36 3g7m n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g7m n GLY 25 N 0.90 2.06 3.36 -0.02 0.00 -1.12 -4.43 105.19 105.93 3g7m n GLY 25 Ca 0.00 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 3g7m n GLY 25 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g7m s GLY 26 N -1.08 1.79 0.00 -0.02 0.00 0.35 -4.58 107.32 103.78 3g7m s GLY 26 Ca 0.01 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.82 3g7m s GLY 26 CO 0.00 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 172.05 3g7m n GLY 27 N -0.52 1.25 3.42 0.20 0.00 -1.26 0.15 105.19 108.44 3g7m n GLY 27 Ca -0.02 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 3g7m n GLY 27 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g7m s THR 28 N -2.47 0.00 -0.24 2.61 -1.32 -1.12 -5.03 115.64 108.06 3g7m s THR 28 Ca 0.00 -1.73 -0.09 0.00 -1.21 0.00 0.00 61.69 58.66 3g7m s THR 28 Cb 0.00 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 3g7m s THR 28 CO 0.00 0.00 0.12 -0.70 -2.21 0.00 0.00 174.62 171.83 3g7m s GLU 29 N -3.18 3.91 -0.32 7.08 2.12 -1.26 -3.28 118.70 123.76 3g7m s GLU 29 Ca 0.34 -0.36 -0.01 0.00 0.36 0.00 0.00 54.97 55.30 3g7m s GLU 29 Cb 0.01 -3.44 0.07 0.00 0.26 0.00 0.00 34.13 31.03 3g7m s GLU 29 CO 0.22 -0.02 0.03 -0.51 -0.54 0.00 0.00 175.26 174.45 3g7m s LEU 30 N 1.23 4.21 0.74 2.70 1.43 0.42 -5.02 118.68 124.38 3g7m s LEU 30 Ca 0.06 -1.53 -0.14 0.00 -1.03 0.00 0.00 54.13 51.50 3g7m s LEU 30 Cb -0.14 -1.71 0.04 0.00 0.03 0.00 0.00 46.19 44.41 3g7m s LEU 30 CO 0.05 -0.32 1.15 -1.00 0.23 0.00 0.00 176.35 176.46 3g7m s HIS 31 N 1.18 2.25 -0.27 0.29 3.76 -1.26 -1.67 115.29 119.57 3g7m s HIS 31 Ca -0.01 1.61 -0.41 0.00 -0.15 0.00 0.00 55.06 56.10 3g7m s HIS 31 Cb -0.20 -3.29 -0.16 0.00 1.11 0.00 0.00 32.58 30.03 3g7m s HIS 31 CO -0.03 -2.22 1.67 -2.30 -0.85 0.00 0.00 174.74 171.01 3g7m n PRO 32 N -2.96 0.96 0.00 8.40 -0.02 -1.26 -1.02 135.00 139.11 3g7m n PRO 32 Ca 0.12 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3g7m n PRO 32 Cb 0.51 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3g7m n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g7m n GLY 33 N 3.93 0.50 3.87 -1.23 0.00 -0.29 -5.07 105.19 106.91 3g7m n GLY 33 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 3g7m n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g7m s ALA 34 N -2.13 3.49 0.24 4.61 0.00 -0.19 -4.81 121.76 122.96 3g7m s ALA 34 Ca 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 51.96 51.82 3g7m s ALA 34 Cb 0.00 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 3g7m s ALA 34 CO 0.00 0.34 -0.18 -1.12 0.00 0.00 0.00 175.76 174.80 3g7m s SER 35 N -2.60 3.14 -0.24 0.00 0.01 -1.26 -1.62 113.70 111.13 3g7m s SER 35 Ca 0.49 -1.00 0.02 0.00 1.31 0.00 0.00 55.95 56.77 3g7m s SER 35 Cb -0.11 -0.23 0.05 0.00 0.21 0.00 0.00 66.02 65.95 3g7m s SER 35 CO 0.23 -0.03 -0.09 0.86 0.41 0.00 0.00 173.24 174.62 3g7m s TRP 36 N -2.57 2.77 -0.10 2.43 -0.00 0.82 -4.96 118.94 117.33 3g7m s TRP 36 Ca 0.25 -1.95 -0.25 0.00 -0.00 0.00 0.00 56.10 54.15 3g7m s TRP 36 Cb -0.04 -1.75 -0.03 0.00 -0.00 0.00 0.00 33.47 31.66 3g7m s TRP 36 CO 0.11 -0.81 0.79 -1.12 -0.00 0.00 0.00 176.95 175.92 3g7m s SER 37 N 1.27 7.03 0.12 5.86 0.01 -1.26 -1.60 113.70 125.12 3g7m s SER 37 Ca -0.06 1.25 0.09 0.00 1.31 0.00 0.00 55.95 58.54 3g7m s SER 37 Cb -0.19 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 3g7m s SER 37 CO -0.06 -0.25 -0.21 -0.76 0.41 0.00 0.00 173.24 172.37 3g7m s LEU 38 N 1.38 2.33 -0.03 2.44 1.43 0.23 -5.00 118.68 121.46 3g7m s LEU 38 Ca 0.40 -0.73 -0.10 0.00 -1.03 0.00 0.00 54.13 52.67 3g7m s LEU 38 Cb -0.18 -0.90 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 3g7m s LEU 38 CO 0.17 0.05 0.29 -0.62 0.23 0.00 0.00 176.35 176.47 3g7m s ASP 39 N -2.10 6.59 -0.06 2.29 -1.08 -1.26 -1.99 116.67 119.07 3g7m s ASP 39 Ca 0.09 0.70 -0.02 0.00 -0.52 0.00 0.00 52.55 52.80 3g7m s ASP 39 Cb -0.09 -2.15 -0.04 0.00 -1.46 0.00 0.00 42.92 39.18 3g7m s ASP 39 CO 0.05 0.33 0.03 0.42 0.52 0.00 0.00 175.17 176.52 3g7m s THR 40 N -1.13 4.51 0.80 1.71 -4.23 -1.26 -4.93 115.64 111.11 3g7m s THR 40 Ca 0.22 -0.29 -0.11 0.00 -1.18 0.00 0.00 61.69 60.33 3g7m s THR 40 Cb -0.14 -2.96 0.07 0.00 1.34 0.00 0.00 72.50 70.81 3g7m s THR 40 CO 0.11 0.51 1.09 -2.16 -0.54 0.00 0.00 174.62 173.63 3g7m s PRO 41 N -1.20 2.06 0.40 3.99 0.04 -1.26 -4.95 135.00 134.08 3g7m s PRO 41 Ca 0.17 0.84 0.18 0.00 0.04 0.00 0.00 61.00 62.23 3g7m s PRO 41 Cb -0.12 -1.90 0.82 0.00 0.04 0.00 0.00 34.50 33.35 3g7m s PRO 41 CO 0.06 -1.69 1.82 -0.39 0.04 0.00 0.00 177.00 176.85 3g7m h VAL 42 N -1.14 0.95 -3.53 -0.36 -1.51 -1.92 -3.46 116.25 105.28 3g7m h VAL 42 Ca -0.46 -1.29 -0.07 0.00 -1.23 0.00 0.00 66.70 63.64 3g7m h VAL 42 Cb 1.25 1.76 -0.14 0.00 -2.13 0.00 0.00 31.29 32.03 3g7m h VAL 42 CO 0.56 0.33 -0.23 -0.51 -1.23 0.00 0.00 177.57 176.49 3g7m s ILE 43 N -3.88 0.10 0.00 7.19 2.07 -1.26 -0.90 121.20 124.53 3g7m s ILE 43 Ca -0.01 -0.83 0.00 0.00 -1.41 0.00 0.00 60.65 58.39 3g7m s ILE 43 Cb 0.12 -1.18 0.00 0.00 0.13 0.00 0.00 42.46 41.53 3g7m s ILE 43 CO 0.68 -0.46 0.00 0.61 -1.91 0.00 0.00 174.94 173.86 3g7m n GLY 44 N 0.03 1.67 3.22 1.50 0.00 -1.07 -4.84 105.19 105.71 3g7m n GLY 44 Ca -0.16 -2.12 -0.19 0.00 0.00 0.00 0.00 46.02 43.54 3g7m n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g7m s SER 45 N 0.00 1.98 0.02 1.61 1.04 -1.26 0.25 113.70 117.34 3g7m s SER 45 Ca 0.00 -0.72 0.03 0.00 0.48 0.00 0.00 55.95 55.74 3g7m s SER 45 Cb 0.00 -0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 3g7m s SER 45 CO 0.00 -0.09 -0.10 -1.10 0.98 0.00 0.00 173.24 172.93 3g7m s GLN 46 N -2.22 0.73 0.04 4.02 -0.21 0.73 -1.99 119.66 120.76 3g7m s GLN 46 Ca 0.05 -0.58 -0.15 0.00 0.02 0.00 0.00 55.36 54.70 3g7m s GLN 46 Cb -0.08 -0.68 -0.06 0.00 1.00 0.00 0.00 33.01 33.20 3g7m s GLN 46 CO 0.03 0.17 0.45 0.71 -2.12 0.00 0.00 175.29 174.53 3g7m s TYR 47 N -0.71 3.70 -0.06 0.91 2.02 0.36 -0.97 117.35 122.60 3g7m s TYR 47 Ca -0.00 1.01 -0.00 0.00 -0.37 0.00 0.00 57.07 57.71 3g7m s TYR 47 Cb -0.06 -2.31 0.02 0.00 -0.40 0.00 0.00 41.96 39.21 3g7m s TYR 47 CO 0.00 0.59 -0.02 0.42 -1.57 0.00 0.00 175.55 174.97 3g7m s ILE 48 N -1.19 0.46 0.07 2.71 1.01 0.22 -1.15 121.20 123.34 3g7m s ILE 48 Ca 0.28 -0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.81 3g7m s ILE 48 Cb -0.16 -0.55 0.01 0.00 0.01 0.00 0.00 42.46 41.77 3g7m s ILE 48 CO 0.16 0.24 0.24 -1.66 0.00 0.00 0.00 174.94 173.92 3g7m s TRP 49 N 1.40 0.03 0.04 3.97 -2.14 -0.64 -1.10 118.94 120.49 3g7m s TRP 49 Ca -0.04 -0.34 -0.01 0.00 2.66 0.00 0.00 56.10 58.37 3g7m s TRP 49 Cb -0.13 0.02 -0.04 0.00 -3.10 0.00 0.00 33.47 30.22 3g7m s TRP 49 CO -0.03 -0.53 0.21 0.20 -2.66 0.00 0.00 176.95 174.14 3g7m s GLY 50 N -2.53 2.19 -0.02 3.67 0.00 -1.26 -0.02 107.32 109.35 3g7m s GLY 50 Ca 0.01 -0.80 0.07 0.00 0.00 0.00 0.00 44.72 44.00 3g7m s GLY 50 CO -0.08 -0.74 -0.23 0.50 0.00 0.00 0.00 173.10 172.55 3g7m s ARG 51 N -2.29 1.93 0.19 2.90 0.52 -0.54 -4.65 118.95 117.01 3g7m s ARG 51 Ca 0.32 -0.82 0.11 0.00 -0.52 0.00 0.00 55.73 54.82 3g7m s ARG 51 Cb -0.13 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 3g7m s ARG 51 CO 0.24 0.47 -0.23 0.95 0.02 0.00 0.00 175.30 176.75 3g7m s THR 52 N -0.47 2.28 -0.81 0.02 -4.23 -1.09 0.11 115.64 111.45 3g7m s THR 52 Ca 0.07 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 58.52 3g7m s THR 52 Cb -0.09 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.66 3g7m s THR 52 CO -0.00 -0.15 0.69 0.61 -0.54 0.00 0.00 174.62 175.23 3g7m n GLY 53 N 0.25 -0.01 3.66 3.99 0.00 -1.26 -1.18 105.19 110.64 3g7m n GLY 53 Ca -0.12 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 3g7m n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g7m s SER 55 N 1.20 3.95 0.06 0.00 0.15 -1.12 -5.00 113.70 112.95 3g7m s SER 55 Ca 0.24 -1.16 0.09 0.00 0.70 0.00 0.00 55.95 55.82 3g7m s SER 55 Cb -0.15 -1.39 -0.03 0.00 -1.71 0.00 0.00 66.02 62.74 3g7m s SER 55 CO 0.10 -0.17 -0.26 -0.36 1.20 0.00 0.00 173.24 173.74 3g7m s PHE 56 N 1.25 2.26 0.00 3.44 0.08 -1.26 -3.61 117.98 120.14 3g7m s PHE 56 Ca -0.05 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.59 3g7m s PHE 56 Cb -0.18 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 40.94 3g7m s PHE 56 CO -0.07 0.17 0.00 -0.40 -0.10 0.00 0.00 175.22 174.82 3g7m n ASP 57 N 1.58 0.00 0.24 1.36 5.68 -1.10 -4.97 116.55 119.34 3g7m n ASP 57 Ca -0.17 -0.95 0.10 0.00 -0.50 0.00 0.00 54.79 53.27 3g7m n ASP 57 Cb 0.52 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 41.09 3g7m n ASP 57 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 3g7m h ARG 58 N 0.00 0.00 0.47 0.11 0.11 -2.02 -3.27 114.38 109.79 3g7m h ARG 58 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 3g7m h ARG 58 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3g7m h ARG 58 CO 0.00 0.20 -0.23 0.00 0.10 0.00 0.00 179.97 180.04 3g7m h ALA 59 N 1.80 -0.63 -3.29 0.08 0.00 -2.06 -3.49 119.26 111.67 3g7m h ALA 59 Ca -0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 54.91 54.44 3g7m h ALA 59 Cb 0.51 0.24 -0.34 0.00 0.00 0.00 0.00 17.79 18.21 3g7m h ALA 59 CO 0.03 -0.69 -0.65 0.20 0.00 0.00 0.00 179.25 178.13 3g7m s GLY 60 N -2.61 0.05 0.60 0.00 0.00 -1.23 -5.19 107.32 98.94 3g7m s GLY 60 Ca -0.14 0.51 -0.13 0.00 0.00 0.00 0.00 44.72 44.96 3g7m s GLY 60 CO 0.49 1.11 1.03 0.54 0.00 0.00 0.00 173.10 176.27 3g7m s LYS 61 N 1.50 3.47 0.00 2.90 3.01 -1.26 -4.34 119.74 125.02 3g7m s LYS 61 Ca -0.05 0.95 0.00 0.00 -1.01 0.00 0.00 55.97 55.86 3g7m s LYS 61 Cb -0.12 -2.06 0.00 0.00 -1.01 0.00 0.00 37.83 34.64 3g7m s LYS 61 CO -0.05 -0.67 0.00 0.41 0.51 0.00 0.00 175.35 175.55 3g7m n GLY 62 N -1.89 0.58 3.13 -3.33 0.00 -1.26 -2.71 105.19 99.71 3g7m n GLY 62 Ca 0.07 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 3g7m n GLY 62 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3g7m s ARG 63 N -1.95 0.72 0.10 1.61 3.52 -1.24 -4.04 118.95 117.67 3g7m s ARG 63 Ca 0.00 -1.05 -0.01 0.00 -0.13 0.00 0.00 55.73 54.54 3g7m s ARG 63 Cb 0.00 -0.35 -0.04 0.00 -1.56 0.00 0.00 34.95 33.00 3g7m s ARG 63 CO 0.00 0.04 0.27 0.00 -0.81 0.00 0.00 175.30 174.81 3g7m h GLN 65 N 2.88 0.64 -5.02 0.00 4.15 -0.73 -3.39 115.11 113.64 3g7m h GLN 65 Ca -0.46 -0.31 -0.41 0.00 0.77 0.00 0.00 58.65 58.24 3g7m h GLN 65 Cb 1.17 -0.00 -0.27 0.00 0.21 0.00 0.00 27.48 28.59 3g7m h GLN 65 CO 0.74 0.90 -0.78 0.95 -1.93 0.00 0.00 178.83 178.71 3g7m s THR 66 N -4.48 0.90 -0.83 2.39 -4.23 -1.05 -4.84 115.64 103.51 3g7m s THR 66 Ca -0.13 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 3g7m s THR 66 Cb 0.08 -0.80 0.00 0.00 1.34 0.00 0.00 72.50 73.12 3g7m s THR 66 CO 0.81 0.09 0.00 0.61 -0.54 0.00 0.00 174.62 175.59 3g7m n GLY 67 N 2.34 0.56 3.68 3.99 0.00 -1.23 -2.68 105.19 111.86 3g7m n GLY 67 Ca -0.16 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 3g7m n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g7m s ASP 68 N -2.77 6.81 -0.55 1.61 2.15 -1.26 -4.60 116.67 118.06 3g7m s ASP 68 Ca 0.00 2.14 0.00 0.00 0.43 0.00 0.00 52.55 55.12 3g7m s ASP 68 Cb 0.00 -2.56 0.14 0.00 -0.30 0.00 0.00 42.92 40.21 3g7m s ASP 68 CO 0.00 -0.76 0.33 0.00 -0.17 0.00 0.00 175.17 174.57 3g7m n GLY 70 N 3.46 1.20 7.00 0.00 0.00 -1.25 -3.82 105.19 111.78 3g7m n GLY 70 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3g7m n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g7m n GLY 71 N -0.50 0.49 0.15 -0.02 0.00 -1.26 -3.39 105.19 100.65 3g7m n GLY 71 Ca -0.20 -0.91 -0.06 0.00 0.00 0.00 0.00 46.02 44.86 3g7m n GLY 71 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3g7m h SER 72 N 9.04 -0.24 -3.01 1.61 0.02 -1.82 -3.38 113.55 115.77 3g7m h SER 72 Ca 0.00 0.09 -0.55 0.00 -0.84 0.00 0.00 61.79 60.49 3g7m h SER 72 Cb 0.00 0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.64 3g7m h SER 72 CO 0.00 -0.08 0.96 -0.94 -1.14 0.00 0.00 176.83 175.63 3g7m s SER 73 N -5.23 6.38 0.00 3.07 1.04 -1.22 -4.88 113.70 112.87 3g7m s SER 73 Ca -0.14 -0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.22 3g7m s SER 73 Cb 0.13 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.63 3g7m s SER 73 CO 0.70 -1.54 2.15 0.18 0.98 0.00 0.00 173.24 175.71 3g7m n LEU 74 N 8.56 4.38 -4.70 2.42 4.77 -1.25 -4.28 117.00 126.90 3g7m n LEU 74 Ca 0.07 -2.24 -0.36 0.00 -0.03 0.00 0.00 56.01 53.45 3g7m n LEU 74 Cb 0.49 -1.01 -0.08 0.00 -2.33 0.00 0.00 43.42 40.48 3g7m n LEU 74 CO 0.71 1.00 -0.09 0.42 -1.33 0.00 0.00 177.39 178.10 3g7m s THR 75 N 0.70 5.33 0.17 -5.08 -4.23 -1.25 -2.81 115.64 108.47 3g7m s THR 75 Ca 0.19 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 3g7m s THR 75 Cb 0.09 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.37 3g7m s THR 75 CO 0.00 0.36 0.00 0.00 -0.54 0.00 0.00 174.62 174.44 3g7m s GLY 77 N -4.33 1.47 0.00 0.00 0.00 -1.26 -4.75 107.32 98.44 3g7m s GLY 77 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.75 3g7m s GLY 77 CO 0.00 -0.55 0.00 0.61 0.00 0.00 0.00 173.10 173.16 3g7m n GLY 78 N 2.88 0.97 2.81 0.20 0.00 -1.26 -4.96 105.19 105.84 3g7m n GLY 78 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 3g7m n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3g7m n ASN 79 N 0.00 4.37 -4.72 1.61 3.02 -1.26 -5.09 115.26 113.19 3g7m n ASN 79 Ca 0.00 -3.32 -0.30 0.00 -0.03 0.00 0.00 54.58 50.94 3g7m n ASN 79 Cb 0.00 -0.92 0.14 0.00 -0.61 0.00 0.00 39.78 38.38 3g7m n ASN 79 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3g7m s PRO 80 N -2.09 1.23 0.30 3.52 0.04 -1.26 -4.91 135.00 131.83 3g7m s PRO 80 Ca 0.33 0.76 -0.29 0.00 0.04 0.00 0.00 61.00 61.83 3g7m s PRO 80 Cb 0.04 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.67 3g7m s PRO 80 CO -0.04 -2.24 1.29 0.00 0.04 0.00 0.00 177.00 176.04 3g7m s ALA 81 N -2.96 3.50 0.25 8.56 0.00 -1.01 -4.93 121.76 125.16 3g7m s ALA 81 Ca 0.63 1.20 -0.30 0.00 0.00 0.00 0.00 51.96 53.49 3g7m s ALA 81 Cb -0.18 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 3g7m s ALA 81 CO 0.57 -0.57 1.40 0.08 0.00 0.00 0.00 175.76 177.24 3g7m s VAL 82 N -0.92 2.76 0.29 0.00 1.01 -1.26 -3.50 120.40 118.77 3g7m s VAL 82 Ca 0.50 0.65 -0.02 0.00 0.00 0.00 0.00 61.98 63.11 3g7m s VAL 82 Cb -0.38 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3g7m s VAL 82 CO 0.49 0.11 0.51 -2.16 0.00 0.00 0.00 175.10 174.05 3g7m s PRO 83 N -0.50 3.56 -0.25 2.72 0.04 -1.26 -4.89 135.00 134.42 3g7m s PRO 83 Ca 0.58 -0.19 -0.26 0.00 0.04 0.00 0.00 61.00 61.17 3g7m s PRO 83 Cb -0.41 -2.70 0.08 0.00 0.04 0.00 0.00 34.50 31.52 3g7m s PRO 83 CO 0.44 0.23 0.80 -0.08 0.04 0.00 0.00 177.00 178.43 3g7m s THR 84 N -2.11 0.00 -0.10 1.26 -1.32 -0.34 -3.57 115.64 109.46 3g7m s THR 84 Ca 0.41 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.64 3g7m s THR 84 Cb -0.10 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.86 3g7m s THR 84 CO 0.32 0.00 0.81 -0.89 -2.21 0.00 0.00 174.62 172.64 3g7m s THR 85 N 0.17 4.95 -0.28 5.08 2.01 -1.26 -3.92 115.64 122.39 3g7m s THR 85 Ca -0.00 1.64 -0.04 0.00 0.31 0.00 0.00 61.69 63.59 3g7m s THR 85 Cb -0.04 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.36 3g7m s THR 85 CO 0.00 0.14 0.01 -0.04 -0.69 0.00 0.00 174.62 174.05 3g7m s MET 86 N 1.38 2.85 -0.13 4.92 -1.94 -0.97 -4.49 119.30 120.92 3g7m s MET 86 Ca 0.41 -0.99 -0.07 0.00 -1.71 0.00 0.00 55.69 53.33 3g7m s MET 86 Cb -0.18 -3.19 -0.04 0.00 2.01 0.00 0.00 34.83 33.43 3g7m s MET 86 CO 0.18 -0.47 0.12 0.00 -0.01 0.00 0.00 175.02 174.83 3g7m s ALA 87 N 1.38 3.75 -0.09 3.03 0.00 -0.26 -0.35 121.76 129.23 3g7m s ALA 87 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.33 3g7m s ALA 87 Cb -0.18 -1.93 -0.00 0.00 0.00 0.00 0.00 23.12 21.01 3g7m s ALA 87 CO -0.01 0.53 -0.22 -2.00 0.00 0.00 0.00 175.76 174.05 3g7m s GLU 88 N -0.73 2.73 -0.13 0.00 -6.30 0.12 0.70 118.70 115.09 3g7m s GLU 88 Ca 0.13 -0.81 -0.00 0.00 -2.50 0.00 0.00 54.97 51.79 3g7m s GLU 88 Cb -0.12 -2.13 0.02 0.00 0.00 0.00 0.00 34.13 31.91 3g7m s GLU 88 CO 0.03 0.20 -0.10 0.08 0.02 0.00 0.00 175.26 175.48 3g7m s VAL 89 N 0.28 1.28 -0.09 3.70 1.01 -0.14 -0.43 120.40 126.00 3g7m s VAL 89 Ca -0.15 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 3g7m s VAL 89 Cb -0.17 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3g7m s VAL 89 CO 0.07 0.39 0.09 -0.44 0.00 0.00 0.00 175.10 175.21 3g7m s SER 90 N 1.60 5.92 -0.09 3.32 0.01 -0.46 -0.19 113.70 123.81 3g7m s SER 90 Ca 0.05 0.32 0.04 0.00 1.31 0.00 0.00 55.95 57.66 3g7m s SER 90 Cb -0.13 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.29 3g7m s SER 90 CO -0.09 0.38 -0.22 -0.69 0.41 0.00 0.00 173.24 173.03 3g7m s VAL 91 N -1.02 1.86 0.22 3.43 1.01 0.14 -1.72 120.40 124.32 3g7m s VAL 91 Ca 0.16 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3g7m s VAL 91 Cb -0.12 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3g7m s VAL 91 CO 0.05 0.52 0.38 -0.22 0.00 0.00 0.00 175.10 175.83 3g7m s LEU 92 N 0.38 4.25 -0.76 3.92 2.96 0.10 -2.59 118.68 126.94 3g7m s LEU 92 Ca -0.17 0.26 -0.33 0.00 -0.22 0.00 0.00 54.13 53.68 3g7m s LEU 92 Cb -0.17 -3.04 -0.18 0.00 0.50 0.00 0.00 46.19 43.30 3g7m s LEU 92 CO 0.08 -0.06 2.51 0.00 -1.32 0.00 0.00 176.35 177.55 3g7m n GLN 93 N -0.99 0.32 0.00 1.98 6.02 -0.08 -1.61 117.38 123.02 3g7m n GLN 93 Ca -0.06 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 3g7m n GLN 93 Cb 0.55 -1.97 0.00 0.00 1.02 0.00 0.00 30.24 29.84 3g7m n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g7m n GLY 94 N 6.57 2.53 3.78 1.08 0.00 -1.26 -5.04 105.19 112.84 3g7m n GLY 94 Ca 0.56 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3g7m n GLY 94 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g7m s ASN 95 N 0.00 7.39 0.05 1.61 0.02 -0.63 -4.49 114.94 118.89 3g7m s ASN 95 Ca 0.00 1.68 0.07 0.00 -1.02 0.00 0.00 52.86 53.59 3g7m s ASN 95 Cb 0.00 -2.51 -0.03 0.00 0.02 0.00 0.00 41.25 38.73 3g7m s ASN 95 CO 0.00 0.17 -0.21 -0.31 0.02 0.00 0.00 177.10 176.77 3g7m s TYR 96 N -1.22 1.82 -0.01 2.20 2.02 0.35 -0.72 117.35 121.79 3g7m s TYR 96 Ca 0.38 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.74 3g7m s TYR 96 Cb -0.23 -1.07 -0.01 0.00 -0.40 0.00 0.00 41.96 40.25 3g7m s TYR 96 CO 0.26 0.11 -0.14 0.95 -1.57 0.00 0.00 175.55 175.17 3g7m s THR 97 N -0.86 1.07 -0.05 -0.71 -4.23 -0.70 -0.35 115.64 109.81 3g7m s THR 97 Ca 0.07 -0.59 -0.00 0.00 -1.18 0.00 0.00 61.69 59.99 3g7m s THR 97 Cb -0.09 -0.89 0.03 0.00 1.34 0.00 0.00 72.50 72.88 3g7m s THR 97 CO 0.02 0.29 -0.00 -0.72 -0.54 0.00 0.00 174.62 173.67 3g7m s TYR 98 N -0.34 0.48 0.21 3.99 1.13 -0.37 -1.35 117.35 121.12 3g7m s TYR 98 Ca 0.05 -0.07 0.02 0.00 -1.41 0.00 0.00 57.07 55.67 3g7m s TYR 98 Cb -0.05 -0.59 -0.05 0.00 -1.10 0.00 0.00 41.96 40.17 3g7m s TYR 98 CO -0.00 -0.21 0.03 0.20 -2.51 0.00 0.00 175.55 173.05 3g7m s GLY 99 N 1.40 1.46 -0.01 5.49 0.00 0.42 -1.67 107.32 114.42 3g7m s GLY 99 Ca -0.04 -1.72 -0.23 0.00 0.00 0.00 0.00 44.72 42.73 3g7m s GLY 99 CO -0.03 -1.59 0.50 0.54 0.00 0.00 0.00 173.10 172.53 3g7m s VAL 100 N -3.61 0.03 0.04 1.40 0.11 -1.05 0.14 120.40 117.45 3g7m s VAL 100 Ca 0.29 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 3g7m s VAL 100 Cb 0.06 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 3g7m s VAL 100 CO 0.08 -0.14 -0.06 0.28 -3.33 0.00 0.00 175.10 171.93 3g7m s THR 101 N -1.68 0.40 -0.14 5.04 -1.32 0.53 -4.68 115.64 113.79 3g7m s THR 101 Ca -0.10 -1.08 0.21 0.00 -1.21 0.00 0.00 61.69 59.51 3g7m s THR 101 Cb -0.02 -0.57 0.46 0.00 -1.51 0.00 0.00 72.50 70.86 3g7m s THR 101 CO 0.04 -0.46 1.16 -1.54 -2.21 0.00 0.00 174.62 171.61 3g7m n SER 102 N 1.40 1.69 0.00 8.08 3.41 -1.26 -2.30 113.62 124.64 3g7m n SER 102 Ca -0.22 -2.49 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 3g7m n SER 102 Cb 0.55 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3g7m n SER 102 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3g7m n THR 103 N -0.20 0.00 -0.07 6.66 -1.04 -1.25 -2.60 114.28 115.77 3g7m n THR 103 Ca 0.12 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.00 3g7m n THR 103 Cb 0.96 -0.57 -0.06 0.00 -1.82 0.00 0.00 70.33 68.84 3g7m n THR 103 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3g7m h LEU 104 N 0.00 0.62 -2.63 -4.42 5.85 -1.93 -3.32 115.31 109.48 3g7m h LEU 104 Ca 0.00 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3g7m h LEU 104 Cb 0.66 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3g7m h LEU 104 CO 0.00 0.99 -0.01 0.29 -0.34 0.00 0.00 178.44 179.37 3g7m n LYS 105 N -4.35 2.26 0.00 1.25 4.76 -1.26 -5.11 118.16 115.70 3g7m n LYS 105 Ca -0.05 -1.41 0.00 0.00 -2.87 0.00 0.00 58.31 53.98 3g7m n LYS 105 Cb 0.45 -0.95 0.00 0.00 -1.84 0.00 0.00 35.03 32.69 3g7m n LYS 105 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3g7m n GLY 106 N -0.49 -1.01 3.08 0.72 0.00 -1.25 -1.20 105.19 105.06 3g7m n GLY 106 Ca 0.01 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 3g7m n GLY 106 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3g7m s PHE 107 N 0.00 -0.37 0.00 1.61 2.19 -1.26 -3.87 117.98 116.29 3g7m s PHE 107 Ca 0.00 0.86 0.00 0.00 0.33 0.00 0.00 56.93 58.12 3g7m s PHE 107 Cb 0.00 0.08 0.00 0.00 -1.31 0.00 0.00 43.02 41.79 3g7m s PHE 107 CO 0.00 -0.25 0.00 0.27 1.83 0.00 0.00 175.22 177.07 3g7m n ASN 108 N 4.24 1.14 -4.01 6.13 6.94 -1.26 -4.60 115.26 123.84 3g7m n ASN 108 Ca -0.25 0.00 -0.24 0.00 -0.02 0.00 0.00 54.58 54.07 3g7m n ASN 108 Cb 0.53 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.79 3g7m n ASN 108 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3g7m s VAL 109 N -1.88 1.07 0.31 3.53 1.01 -1.26 -5.00 120.40 118.18 3g7m s VAL 109 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 3g7m s VAL 109 Cb 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 36.38 35.30 3g7m s VAL 109 CO 0.00 0.34 1.39 -2.16 0.00 0.00 0.00 175.10 174.67 3g7m s PRO 110 N 0.63 4.27 0.16 2.72 0.04 -1.26 -4.68 135.00 136.88 3g7m s PRO 110 Ca -0.13 2.32 0.09 0.00 0.04 0.00 0.00 61.00 63.32 3g7m s PRO 110 Cb -0.15 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 3g7m s PRO 110 CO 0.03 -0.34 -0.20 -1.64 0.04 0.00 0.00 177.00 174.89 3g7m s MET 111 N -1.38 1.32 -0.13 4.56 -1.94 0.31 -1.77 119.30 120.27 3g7m s MET 111 Ca 0.53 -1.40 -0.02 0.00 -1.71 0.00 0.00 55.69 53.09 3g7m s MET 111 Cb -0.42 -1.48 0.04 0.00 2.01 0.00 0.00 34.83 34.98 3g7m s MET 111 CO 0.52 0.31 0.01 -0.80 -0.01 0.00 0.00 175.02 175.05 3g7m s ASN 112 N -2.55 2.26 -0.23 3.03 0.02 -0.17 -0.50 114.94 116.80 3g7m s ASN 112 Ca 0.16 -0.45 -0.11 0.00 -1.02 0.00 0.00 52.86 51.44 3g7m s ASN 112 Cb -0.07 -0.54 -0.05 0.00 0.02 0.00 0.00 41.25 40.61 3g7m s ASN 112 CO 0.07 -0.24 0.17 -0.76 0.02 0.00 0.00 177.10 176.36 3g7m s LEU 113 N 1.90 4.13 0.02 0.60 1.02 -0.82 -0.42 118.68 125.11 3g7m s LEU 113 Ca 0.02 0.16 -0.01 0.00 0.02 0.00 0.00 54.13 54.32 3g7m s LEU 113 Cb -0.15 -2.13 -0.02 0.00 0.02 0.00 0.00 46.19 43.91 3g7m s LEU 113 CO -0.07 0.07 -0.01 -1.59 0.02 0.00 0.00 176.35 174.78 3g7m s LYS 114 N 0.99 0.37 0.06 1.70 -2.85 0.63 -0.62 119.74 120.01 3g7m s LYS 114 Ca 0.08 -0.64 0.09 0.00 -1.00 0.00 0.00 55.97 54.50 3g7m s LYS 114 Cb -0.13 0.13 -0.03 0.00 -2.06 0.00 0.00 37.83 35.74 3g7m s LYS 114 CO 0.04 -0.07 -0.25 0.00 0.10 0.00 0.00 175.35 175.18 3g7m h SER 116 N 4.66 0.00 0.00 0.00 4.64 -1.66 -2.40 113.55 118.78 3g7m h SER 116 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3g7m h SER 116 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3g7m h SER 116 CO 0.43 0.00 -0.81 -1.20 -0.87 0.00 0.00 176.83 174.37 3g7m n SER 117 N -2.31 1.62 -4.07 4.97 7.64 -1.26 -4.95 113.62 115.26 3g7m n SER 117 Ca 0.01 -0.38 -0.20 0.00 1.01 0.00 0.00 58.87 59.31 3g7m n SER 117 Cb 0.18 1.16 -0.01 0.00 -1.01 0.00 0.00 64.21 64.54 3g7m n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g7m n GLY 118 N 1.57 2.93 3.92 0.23 0.00 -0.91 -4.75 105.19 108.18 3g7m n GLY 118 Ca 0.00 -2.27 -0.27 0.00 0.00 0.00 0.00 46.02 43.48 3g7m n GLY 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g7m s ASP 119 N -3.33 6.39 0.31 1.61 1.01 -1.26 -4.39 116.67 117.00 3g7m s ASP 119 Ca 0.20 0.54 -0.29 0.00 0.71 0.00 0.00 52.55 53.71 3g7m s ASP 119 Cb -0.02 -2.07 -0.10 0.00 1.01 0.00 0.00 42.92 41.75 3g7m s ASP 119 CO 0.13 -0.17 1.23 0.00 0.21 0.00 0.00 175.17 176.57 3g7m s ALA 120 N -2.07 3.47 -0.38 5.23 0.00 -1.26 -4.46 121.76 122.28 3g7m s ALA 120 Ca 0.41 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.53 3g7m s ALA 120 Cb -0.10 -3.43 0.11 0.00 0.00 0.00 0.00 23.12 19.70 3g7m s ALA 120 CO 0.31 -0.47 0.11 -1.17 0.00 0.00 0.00 175.76 174.54 3g7m s LEU 121 N -1.62 4.81 0.37 0.00 2.96 0.21 -5.03 118.68 120.38 3g7m s LEU 121 Ca 0.48 -2.26 -0.16 0.00 -0.22 0.00 0.00 54.13 51.97 3g7m s LEU 121 Cb -0.37 -1.67 -0.09 0.00 0.50 0.00 0.00 46.19 44.56 3g7m s LEU 121 CO 0.48 -0.39 0.81 -2.16 -1.32 0.00 0.00 176.35 173.77 3g7m s PRO 122 N 0.78 4.05 -0.44 0.98 0.04 -1.26 -1.94 135.00 137.20 3g7m s PRO 122 Ca 0.11 0.79 0.05 0.00 0.04 0.00 0.00 61.00 62.00 3g7m s PRO 122 Cb -0.20 -2.34 0.17 0.00 0.04 0.00 0.00 34.50 32.17 3g7m s PRO 122 CO -0.06 0.07 0.53 0.00 0.04 0.00 0.00 177.00 177.57 3g7m n ARG 124 N 3.41 0.58 -4.32 0.00 1.74 -1.26 0.12 116.66 116.93 3g7m n ARG 124 Ca 0.19 -0.17 -0.20 0.00 -0.77 0.00 0.00 57.85 56.89 3g7m n ARG 124 Cb 0.51 -1.45 -0.08 0.00 -1.02 0.00 0.00 32.46 30.42 3g7m n ARG 124 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3g7m s LYS 125 N -3.32 1.76 0.27 5.56 2.20 -1.26 -4.54 119.74 120.40 3g7m s LYS 125 Ca -0.07 -2.03 -0.29 0.00 -0.36 0.00 0.00 55.97 53.22 3g7m s LYS 125 Cb 0.12 0.17 -0.10 0.00 -1.51 0.00 0.00 37.83 36.51 3g7m s LYS 125 CO 0.80 -0.61 1.33 0.00 -0.36 0.00 0.00 175.35 176.50 3g7m s ALA 126 N -3.45 3.53 0.00 3.13 0.00 -1.26 -3.63 121.76 120.09 3g7m s ALA 126 Ca 0.38 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3g7m s ALA 126 Cb 0.03 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3g7m s ALA 126 CO 0.25 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.81 3g7m n GLY 127 N 1.61 1.10 0.13 0.00 0.00 -1.07 -4.99 105.19 101.98 3g7m n GLY 127 Ca 0.03 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 3g7m n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g7m s ASP 129 N -6.95 6.32 0.15 0.00 -4.77 -1.26 -4.93 116.67 105.23 3g7m s ASP 129 Ca -0.03 -0.46 -0.13 0.00 -3.30 0.00 0.00 52.55 48.63 3g7m s ASP 129 Cb 0.10 -2.39 0.02 0.00 -1.09 0.00 0.00 42.92 39.56 3g7m s ASP 129 CO 0.83 -1.08 1.62 0.58 0.70 0.00 0.00 175.17 177.83 3g7m h VAL 130 N 5.97 1.25 -2.25 2.11 2.07 -1.98 -3.46 116.25 119.96 3g7m h VAL 130 Ca -0.26 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.21 3g7m h VAL 130 Cb 1.08 0.92 -0.20 0.00 -1.52 0.00 0.00 31.29 31.57 3g7m h VAL 130 CO 1.03 0.35 0.05 0.54 0.02 0.00 0.00 177.57 179.55 3g7m s VAL 131 N -5.13 0.01 0.33 2.57 0.11 -1.26 -5.15 120.40 111.87 3g7m s VAL 131 Ca -0.13 -0.08 -0.18 0.00 -2.93 0.00 0.00 61.98 58.67 3g7m s VAL 131 Cb 0.11 -0.89 -0.09 0.00 -1.53 0.00 0.00 36.38 33.98 3g7m s VAL 131 CO 0.81 -0.04 0.80 -1.10 -3.33 0.00 0.00 175.10 172.23 3g7m s GLN 132 N -0.62 4.14 -0.28 1.54 -1.52 -1.26 -3.35 119.66 118.31 3g7m s GLN 132 Ca -0.07 0.85 -0.22 0.00 -1.95 0.00 0.00 55.36 53.97 3g7m s GLN 132 Cb -0.03 -2.48 -0.01 0.00 -0.22 0.00 0.00 33.01 30.28 3g7m s GLN 132 CO 0.06 0.16 0.72 -1.25 -0.25 0.00 0.00 175.29 174.73 3g7m s PRO 133 N -2.79 4.02 -1.04 2.91 0.04 -1.26 -5.11 135.00 131.78 3g7m s PRO 133 Ca 0.54 0.58 -0.16 0.00 0.04 0.00 0.00 61.00 62.00 3g7m s PRO 133 Cb -0.12 -3.69 0.17 0.00 0.04 0.00 0.00 34.50 30.90 3g7m s PRO 133 CO 0.17 -0.56 1.20 -0.47 0.04 0.00 0.00 177.00 177.38 3g7m s TYR 134 N 2.75 3.43 0.09 0.56 5.04 -1.21 -4.95 117.35 123.05 3g7m s TYR 134 Ca 0.30 -1.84 -0.11 0.00 -2.44 0.00 0.00 57.07 52.98 3g7m s TYR 134 Cb -0.15 -4.21 0.01 0.00 0.35 0.00 0.00 41.96 37.96 3g7m s TYR 134 CO 0.10 -1.35 0.25 0.00 -1.34 0.00 0.00 175.55 173.21 3g7m s ALA 135 N 1.67 -0.43 0.23 3.97 0.00 -1.26 -2.54 121.76 123.40 3g7m s ALA 135 Ca 0.35 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.98 3g7m s ALA 135 Cb -0.05 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 3g7m s ALA 135 CO -0.06 -0.52 -0.15 0.15 0.00 0.00 0.00 175.76 175.19 3g7m s LYS 136 N -3.61 1.45 0.08 0.00 -0.14 -0.67 -4.97 119.74 111.87 3g7m s LYS 136 Ca 0.03 -1.66 0.06 0.00 -1.36 0.00 0.00 55.97 53.03 3g7m s LYS 136 Cb 0.03 -1.29 -0.04 0.00 -1.68 0.00 0.00 37.83 34.85 3g7m s LYS 136 CO -0.10 0.20 -0.07 -1.54 -0.76 0.00 0.00 175.35 173.08 3g7m s SER 137 N -3.38 4.59 -0.04 2.83 1.04 -1.26 -1.23 113.70 116.24 3g7m s SER 137 Ca 0.25 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.41 3g7m s SER 137 Cb -0.01 -0.97 0.02 0.00 0.10 0.00 0.00 66.02 65.16 3g7m s SER 137 CO 0.10 0.20 -0.05 0.00 0.98 0.00 0.00 173.24 174.47 3g7m s SER 139 N 0.84 0.94 0.10 0.00 0.15 -1.26 -0.49 113.70 113.98 3g7m s SER 139 Ca -0.11 -2.73 -0.00 0.00 0.70 0.00 0.00 55.95 53.80 3g7m s SER 139 Cb -0.14 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 3g7m s SER 139 CO 0.00 -0.16 -0.00 0.00 1.20 0.00 0.00 173.24 174.28 3g7m s ALA 140 N 0.31 0.84 0.20 5.45 0.00 -1.26 -5.06 121.76 122.24 3g7m s ALA 140 Ca 0.31 -1.38 -0.10 0.00 0.00 0.00 0.00 51.96 50.80 3g7m s ALA 140 Cb 0.01 0.49 0.15 0.00 0.00 0.00 0.00 23.12 23.77 3g7m s ALA 140 CO -0.16 -0.38 1.82 0.00 0.00 0.00 0.00 175.76 177.05 3g7m h ALA 141 N 2.95 0.96 -0.60 0.00 0.00 -2.00 -3.31 119.26 117.27 3g7m h ALA 141 Ca -0.35 -0.12 -0.42 0.00 0.00 0.00 0.00 54.91 54.01 3g7m h ALA 141 Cb 1.17 -0.30 -0.39 0.00 0.00 0.00 0.00 17.79 18.27 3g7m h ALA 141 CO 0.63 0.48 -0.88 0.41 0.00 0.00 0.00 179.25 179.89 3g7m n GLY 142 N -1.08 5.01 3.81 0.00 0.00 -1.26 -5.03 105.19 106.63 3g7m n GLY 142 Ca 0.07 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 3g7m n GLY 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g7m s SER 143 N -3.59 4.25 -0.08 1.61 1.04 -1.25 -5.08 113.70 110.61 3g7m s SER 143 Ca 0.44 1.18 -0.02 0.00 0.48 0.00 0.00 55.95 58.02 3g7m s SER 143 Cb 0.38 -1.86 0.04 0.00 0.10 0.00 0.00 66.02 64.68 3g7m s SER 143 CO 0.01 -2.11 0.04 -0.13 0.98 0.00 0.00 173.24 172.03 3g7m s ARG 144 N -5.22 0.26 0.06 4.02 0.52 -1.26 -4.83 118.95 112.50 3g7m s ARG 144 Ca 0.62 0.14 -0.20 0.00 -0.52 0.00 0.00 55.73 55.76 3g7m s ARG 144 Cb -0.14 -1.02 -0.06 0.00 0.52 0.00 0.00 34.95 34.24 3g7m s ARG 144 CO 0.54 -0.40 0.59 -0.51 0.02 0.00 0.00 175.30 175.54 3g7m s LEU 145 N 2.06 4.50 -0.06 2.53 1.43 0.51 -1.54 118.68 128.11 3g7m s LEU 145 Ca 0.04 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 3g7m s LEU 145 Cb -0.13 -2.93 0.02 0.00 0.03 0.00 0.00 46.19 43.18 3g7m s LEU 145 CO -0.05 0.22 -0.03 -1.58 0.23 0.00 0.00 176.35 175.14 3g7m s GLN 146 N -0.84 0.84 -0.22 1.70 0.74 0.11 -0.86 119.66 121.12 3g7m s GLN 146 Ca 0.30 -0.05 -0.07 0.00 0.05 0.00 0.00 55.36 55.59 3g7m s GLN 146 Cb -0.19 -0.98 -0.03 0.00 1.10 0.00 0.00 33.01 32.91 3g7m s GLN 146 CO 0.19 -0.18 0.05 0.42 -0.55 0.00 0.00 175.29 175.22 3g7m s ILE 147 N 1.37 4.29 -0.10 -2.34 -1.09 -0.24 -0.27 121.20 122.82 3g7m s ILE 147 Ca -0.04 -0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.20 3g7m s ILE 147 Cb -0.13 -2.97 -0.02 0.00 -1.58 0.00 0.00 42.46 37.75 3g7m s ILE 147 CO -0.03 0.38 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.27 3g7m s VAL 148 N 1.22 3.31 -0.11 2.92 1.01 0.44 -0.04 120.40 129.14 3g7m s VAL 148 Ca 0.04 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 3g7m s VAL 148 Cb -0.14 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 3g7m s VAL 148 CO 0.03 0.55 0.32 -0.36 0.00 0.00 0.00 175.10 175.64 3g7m s PHE 149 N -0.16 3.56 -0.89 5.22 0.08 0.13 -0.99 117.98 124.92 3g7m s PHE 149 Ca 0.00 0.72 -0.05 0.00 0.12 0.00 0.00 56.93 57.72 3g7m s PHE 149 Cb -0.13 -2.29 -0.02 0.00 -0.57 0.00 0.00 43.02 40.01 3g7m s PHE 149 CO 0.03 0.41 0.75 0.00 -0.10 0.00 0.00 175.22 176.30