#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugm s THR 6 N 0.00 2.08 0.19 -0.18 -1.32 -1.26 -4.83 115.64 110.32 1ugm s THR 6 Ca 0.00 0.03 -0.12 0.00 -1.21 0.00 0.00 61.69 60.38 1ugm s THR 6 Cb 0.00 -2.95 0.10 0.00 -1.51 0.00 0.00 72.50 68.14 1ugm s THR 6 CO 0.00 -0.03 1.76 0.15 -2.21 0.00 0.00 174.62 174.29 1ugm h PHE 7 N -1.16 0.38 0.00 9.09 3.57 -1.99 -1.18 116.94 125.65 1ugm h PHE 7 Ca -0.47 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.02 1ugm h PHE 7 Cb 1.33 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 1ugm h PHE 7 CO 0.32 0.14 -0.16 0.87 -2.23 0.00 0.00 178.31 177.25 1ugm h LYS 8 N 0.41 0.00 0.00 1.11 1.57 -1.93 -1.89 116.57 115.84 1ugm h LYS 8 Ca 0.25 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 1ugm h LYS 8 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1ugm h LYS 8 CO -0.23 0.16 -0.67 1.96 -0.57 0.00 0.00 179.45 180.10 1ugm h GLN 9 N 0.00 0.00 0.07 3.15 4.20 -1.73 -3.34 115.11 117.47 1ugm h GLN 9 Ca -0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.44 1ugm h GLN 9 Cb 0.33 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.14 1ugm h GLN 9 CO 0.02 0.21 -1.08 -0.09 -0.67 0.00 0.00 178.83 177.22 1ugm h ARG 10 N 0.00 0.60 -6.03 1.46 2.43 -0.56 -3.46 114.38 108.82 1ugm h ARG 10 Ca -0.03 -0.75 -0.59 0.00 -0.81 0.00 0.00 59.98 57.80 1ugm h ARG 10 Cb 1.24 0.23 -0.27 0.00 -0.42 0.00 0.00 29.97 30.75 1ugm h ARG 10 CO 0.03 1.32 -0.85 1.03 -1.51 0.00 0.00 179.97 180.00 1ugm s ARG 11 N -3.08 1.50 0.76 0.20 0.52 -0.77 -5.10 118.95 112.97 1ugm s ARG 11 Ca -0.10 -0.85 -0.12 0.00 -0.52 0.00 0.00 55.73 54.14 1ugm s ARG 11 Cb 0.05 -1.54 0.05 0.00 0.52 0.00 0.00 34.95 34.04 1ugm s ARG 11 CO 0.91 0.41 1.11 -1.54 0.02 0.00 0.00 175.30 176.21 1ugm s SER 12 N -0.88 4.41 0.25 0.23 1.04 -1.26 -4.68 113.70 112.80 1ugm s SER 12 Ca 0.08 1.97 -0.04 0.00 0.48 0.00 0.00 55.95 58.43 1ugm s SER 12 Cb -0.08 -2.54 0.38 0.00 0.10 0.00 0.00 66.02 63.88 1ugm s SER 12 CO 0.01 -2.10 1.83 0.15 0.98 0.00 0.00 173.24 174.10 1ugm h PHE 13 N -0.86 0.92 -0.71 5.02 3.57 -1.99 0.40 116.94 123.28 1ugm h PHE 13 Ca -0.45 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.09 1ugm h PHE 13 Cb 1.25 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 1ugm h PHE 13 CO 0.55 0.41 0.47 1.49 -2.23 0.00 0.00 178.31 179.00 1ugm h GLU 14 N 0.86 0.94 -0.36 1.11 4.81 -2.00 -0.82 114.58 119.12 1ugm h GLU 14 Ca 0.39 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.47 1ugm h GLU 14 Cb 0.30 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1ugm h GLU 14 CO -0.22 0.62 -0.18 1.96 -0.73 0.00 0.00 179.01 180.46 1ugm h GLN 15 N 0.96 0.68 -0.23 1.92 4.20 -1.55 -2.03 115.11 119.06 1ugm h GLN 15 Ca 0.26 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1ugm h GLN 15 Cb -0.11 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1ugm h GLN 15 CO -0.06 0.82 -0.10 0.00 -0.67 0.00 0.00 178.83 178.82 1ugm h ARG 16 N 0.60 0.48 -1.00 1.46 3.08 -0.50 -0.38 114.38 118.13 1ugm h ARG 16 Ca 0.09 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.96 1ugm h ARG 16 Cb 0.65 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.63 1ugm h ARG 16 CO 0.05 0.74 0.66 0.28 -1.07 0.00 0.00 179.97 180.63 1ugm h VAL 17 N 0.20 1.22 -0.55 2.04 2.07 -1.09 -1.50 116.25 118.64 1ugm h VAL 17 Ca 0.05 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 1ugm h VAL 17 Cb 0.59 -0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1ugm h VAL 17 CO 0.03 0.24 0.02 -0.08 0.02 0.00 0.00 177.57 177.80 1ugm h GLU 18 N 1.31 0.95 -0.53 1.57 4.57 -1.14 -1.26 114.58 120.05 1ugm h GLU 18 Ca 0.38 -0.29 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1ugm h GLU 18 Cb -0.08 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.39 1ugm h GLU 18 CO -0.10 0.95 0.32 -0.44 -1.18 0.00 0.00 179.01 178.56 1ugm h ASP 19 N 0.83 0.64 -0.71 1.04 3.32 -0.39 -1.52 116.42 119.63 1ugm h ASP 19 Ca 0.16 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1ugm h ASP 19 Cb 0.51 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1ugm h ASP 19 CO 0.02 0.51 0.39 0.58 -1.72 0.00 0.00 179.24 179.03 1ugm h VAL 20 N 0.71 1.22 -0.69 -1.35 2.07 -1.05 -1.47 116.25 115.69 1ugm h VAL 20 Ca 0.19 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1ugm h VAL 20 Cb -0.01 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 1ugm h VAL 20 CO -0.04 0.24 0.46 0.03 0.02 0.00 0.00 177.57 178.28 1ugm h ARG 21 N 0.98 0.91 -0.66 1.57 2.47 -0.90 -1.17 114.38 117.58 1ugm h ARG 21 Ca 0.25 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 58.84 1ugm h ARG 21 Cb 0.04 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.13 1ugm h ARG 21 CO -0.04 0.60 0.13 1.25 0.56 0.00 0.00 179.97 182.47 1ugm h LEU 22 N 0.93 1.02 -1.16 3.04 5.85 -0.90 -2.41 115.31 121.68 1ugm h LEU 22 Ca 0.26 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1ugm h LEU 22 Cb -0.10 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.65 1ugm h LEU 22 CO -0.06 1.00 -0.26 0.40 -0.34 0.00 0.00 178.44 179.18 1ugm h ILE 23 N 1.01 1.24 -0.55 4.05 2.04 -0.80 -0.50 117.51 124.01 1ugm h ILE 23 Ca 0.20 -1.15 -0.09 0.00 1.00 0.00 0.00 64.86 64.82 1ugm h ILE 23 Cb 0.40 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1ugm h ILE 23 CO 0.01 0.35 -0.04 0.03 0.00 0.00 0.00 178.15 178.50 1ugm h ARG 24 N 0.23 0.96 -0.04 2.37 3.08 -0.76 0.26 114.38 120.50 1ugm h ARG 24 Ca 0.04 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 59.68 1ugm h ARG 24 Cb 0.59 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.56 1ugm h ARG 24 CO 0.04 0.97 -0.35 0.93 -1.07 0.00 0.00 179.97 180.50 1ugm h GLU 25 N 0.88 0.30 0.00 0.04 4.39 -1.07 -3.12 114.58 116.00 1ugm h GLU 25 Ca 0.15 -0.27 -0.09 0.00 0.34 0.00 0.00 59.36 59.49 1ugm h GLU 25 Cb 0.56 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1ugm h GLU 25 CO 0.03 0.94 -0.95 1.96 -1.16 0.00 0.00 179.01 179.83 1ugm h GLN 26 N -0.25 0.00 -1.96 2.33 4.20 -1.11 -3.40 115.11 114.93 1ugm h GLN 26 Ca -0.03 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.17 1ugm h GLN 26 Cb 1.04 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.43 1ugm h GLN 26 CO 0.07 0.23 -1.15 0.72 -0.67 0.00 0.00 178.83 178.04 1ugm n HIS 27 N -2.93 -0.11 -0.34 2.96 8.25 0.93 -4.99 115.22 118.98 1ugm n HIS 27 Ca -0.03 -3.67 0.21 0.00 -0.26 0.00 0.00 57.72 53.97 1ugm n HIS 27 Cb 0.71 -0.35 0.45 0.00 1.12 0.00 0.00 29.99 31.93 1ugm n HIS 27 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1ugm h PRO 28 N 3.41 0.44 -0.16 -0.41 0.11 -1.59 -1.50 132.00 132.30 1ugm h PRO 28 Ca 0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1ugm h PRO 28 Cb 0.94 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1ugm h PRO 28 CO 0.48 0.29 0.00 0.25 -0.21 0.00 0.00 178.00 178.81 1ugm n THR 29 N -4.82 0.21 -4.16 -1.15 -2.24 -1.26 -4.90 114.28 95.95 1ugm n THR 29 Ca 0.28 -0.28 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 1ugm n THR 29 Cb 0.87 0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 69.21 1ugm n THR 29 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ugm s LYS 30 N -1.79 2.59 -0.21 -0.78 -0.14 -0.56 -1.44 119.74 117.40 1ugm s LYS 30 Ca 0.27 -0.80 -0.13 0.00 -1.36 0.00 0.00 55.97 53.96 1ugm s LYS 30 Cb 0.14 -2.56 -0.05 0.00 -1.68 0.00 0.00 37.83 33.68 1ugm s LYS 30 CO 0.21 0.55 0.26 0.42 -0.76 0.00 0.00 175.35 176.04 1ugm s ILE 31 N -1.27 5.30 -0.43 2.17 -1.09 0.48 -4.86 121.20 121.51 1ugm s ILE 31 Ca 0.25 0.43 -0.29 0.00 -2.23 0.00 0.00 60.65 58.81 1ugm s ILE 31 Cb -0.12 -3.60 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 1ugm s ILE 31 CO 0.17 0.34 1.42 -2.16 -1.23 0.00 0.00 174.94 173.47 1ugm s PRO 32 N 0.93 3.53 -0.03 2.79 0.04 -1.26 -1.63 135.00 139.37 1ugm s PRO 32 Ca 0.13 0.87 0.06 0.00 0.04 0.00 0.00 61.00 62.11 1ugm s PRO 32 Cb -0.13 -4.04 -0.02 0.00 0.04 0.00 0.00 34.50 30.34 1ugm s PRO 32 CO 0.05 -1.63 -0.21 0.08 0.04 0.00 0.00 177.00 175.32 1ugm s VAL 33 N 5.57 2.45 -0.21 -0.36 1.01 0.11 -1.44 120.40 127.53 1ugm s VAL 33 Ca 0.60 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 1ugm s VAL 33 Cb -0.13 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1ugm s VAL 33 CO 0.32 0.58 -0.02 -0.63 0.00 0.00 0.00 175.10 175.35 1ugm s ILE 34 N -0.66 3.70 -0.17 2.22 -1.09 -0.41 0.84 121.20 125.64 1ugm s ILE 34 Ca 0.11 -0.39 0.01 0.00 -2.23 0.00 0.00 60.65 58.14 1ugm s ILE 34 Cb -0.10 -2.68 0.02 0.00 -1.58 0.00 0.00 42.46 38.12 1ugm s ILE 34 CO -0.00 0.42 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.33 1ugm s ILE 35 N 1.20 1.89 0.09 2.92 1.01 -0.34 -0.14 121.20 127.84 1ugm s ILE 35 Ca 0.03 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.87 1ugm s ILE 35 Cb -0.15 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 1ugm s ILE 35 CO 0.00 0.48 -0.15 -1.61 0.00 0.00 0.00 174.94 173.66 1ugm s GLU 36 N 1.35 0.93 0.23 2.79 2.02 -0.50 -4.65 118.70 120.88 1ugm s GLU 36 Ca 0.04 -1.08 -0.22 0.00 0.02 0.00 0.00 54.97 53.73 1ugm s GLU 36 Cb -0.13 -0.94 -0.08 0.00 0.10 0.00 0.00 34.13 33.07 1ugm s GLU 36 CO -0.12 0.20 0.77 0.50 0.02 0.00 0.00 175.26 176.63 1ugm s ARG 37 N -2.08 4.36 0.25 1.61 3.52 -1.26 -2.06 118.95 123.29 1ugm s ARG 37 Ca 0.03 0.99 -0.31 0.00 -0.13 0.00 0.00 55.73 56.31 1ugm s ARG 37 Cb -0.08 -2.93 -0.12 0.00 -1.56 0.00 0.00 34.95 30.26 1ugm s ARG 37 CO 0.03 0.40 1.59 0.98 -0.81 0.00 0.00 175.30 177.49 1ugm n TYR 38 N 0.84 2.65 0.19 5.12 9.36 -0.13 -4.84 117.16 130.35 1ugm n TYR 38 Ca -0.02 0.25 0.14 0.00 3.32 0.00 0.00 57.90 61.59 1ugm n TYR 38 Cb 0.50 -2.58 0.74 0.00 -0.63 0.00 0.00 39.34 37.37 1ugm n TYR 38 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1ugm h LYS 39 N 5.18 0.00 -0.01 2.98 1.79 -1.94 -1.21 116.57 123.36 1ugm h LYS 39 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1ugm h LYS 39 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1ugm h LYS 39 CO 0.83 0.00 -0.28 0.41 -1.08 0.00 0.00 179.45 179.33 1ugm n GLY 40 N -1.50 -0.75 3.73 3.86 0.00 -1.26 -4.94 105.19 104.33 1ugm n GLY 40 Ca 0.01 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1ugm n GLY 40 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ugm n GLU 41 N -0.82 2.64 0.00 1.61 4.07 -0.46 -4.93 120.64 122.75 1ugm n GLU 41 Ca 0.11 0.94 0.00 0.00 -0.06 0.00 0.00 57.16 58.16 1ugm n GLU 41 Cb 0.34 -2.74 0.00 0.00 -0.06 0.00 0.00 31.44 28.98 1ugm n GLU 41 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1ugm n LYS 42 N 2.80 0.66 0.15 5.31 2.85 -1.26 -4.86 118.16 123.81 1ugm n LYS 42 Ca 0.12 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.29 1ugm n LYS 42 Cb 0.35 -1.00 -0.05 0.00 -0.65 0.00 0.00 35.03 33.69 1ugm n LYS 42 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1ugm h GLN 43 N 0.00 -0.44 -6.84 -1.58 1.08 -2.01 -3.45 115.11 101.86 1ugm h GLN 43 Ca 0.00 0.03 -0.53 0.00 -1.45 0.00 0.00 58.65 56.70 1ugm h GLN 43 Cb 0.99 0.10 0.08 0.00 -0.05 0.00 0.00 27.48 28.61 1ugm h GLN 43 CO 0.00 -0.21 0.79 -0.51 -0.95 0.00 0.00 178.83 177.95 1ugm s LEU 44 N -9.10 4.36 0.84 1.46 1.02 -1.26 -5.03 118.68 110.98 1ugm s LEU 44 Ca -0.09 2.87 -0.13 0.00 0.02 0.00 0.00 54.13 56.81 1ugm s LEU 44 Cb 0.01 -3.64 0.11 0.00 0.02 0.00 0.00 46.19 42.69 1ugm s LEU 44 CO 0.30 -0.79 1.21 -2.16 0.02 0.00 0.00 176.35 174.92 1ugm s PRO 45 N -1.14 1.59 0.15 1.29 0.04 -1.26 -5.02 135.00 130.66 1ugm s PRO 45 Ca 0.57 -0.09 -0.11 0.00 0.04 0.00 0.00 61.00 61.41 1ugm s PRO 45 Cb -0.45 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.08 1ugm s PRO 45 CO 0.52 -1.81 0.49 0.08 0.04 0.00 0.00 177.00 176.33 1ugm s VAL 46 N -3.64 4.97 0.74 -0.36 1.01 -1.26 -4.96 120.40 116.90 1ugm s VAL 46 Ca 0.65 0.55 -0.11 0.00 0.00 0.00 0.00 61.98 63.07 1ugm s VAL 46 Cb -0.09 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.66 1ugm s VAL 46 CO 0.50 0.14 1.08 -0.76 0.00 0.00 0.00 175.10 176.06 1ugm s LEU 47 N -2.27 2.82 0.43 3.92 1.43 -1.26 -4.96 118.68 118.79 1ugm s LEU 47 Ca 0.40 1.34 0.22 0.00 -1.03 0.00 0.00 54.13 55.06 1ugm s LEU 47 Cb -0.13 -4.08 0.88 0.00 0.03 0.00 0.00 46.19 42.89 1ugm s LEU 47 CO 0.20 -1.64 1.82 -2.24 0.23 0.00 0.00 176.35 174.71 1ugm h ASP 48 N -0.86 0.00 -5.62 2.29 3.04 -1.98 -3.46 116.42 109.83 1ugm h ASP 48 Ca -0.46 0.00 -0.31 0.00 -3.24 0.00 0.00 57.03 53.02 1ugm h ASP 48 Cb 1.25 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 39.43 1ugm h ASP 48 CO 0.60 0.26 -0.32 -1.59 -2.04 0.00 0.00 179.24 176.15 1ugm s LYS 49 N -3.68 1.77 -0.15 4.15 -2.85 -1.26 -5.11 119.74 112.61 1ugm s LYS 49 Ca 0.00 -1.79 -0.03 0.00 -1.00 0.00 0.00 55.97 53.16 1ugm s LYS 49 Cb 0.11 0.39 -0.08 0.00 -2.06 0.00 0.00 37.83 36.19 1ugm s LYS 49 CO 0.65 -0.70 -0.16 2.41 0.10 0.00 0.00 175.35 177.65 1ugm n THR 50 N -0.54 0.83 -3.79 3.79 -1.04 -1.26 -4.91 114.28 107.36 1ugm n THR 50 Ca 0.03 -0.27 -0.36 0.00 -2.04 0.00 0.00 64.05 61.41 1ugm n THR 50 Cb 0.62 -1.33 -0.07 0.00 -1.82 0.00 0.00 70.33 67.73 1ugm n THR 50 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1ugm s LYS 51 N -2.28 3.74 0.06 -2.82 -2.85 -1.26 -1.19 119.74 113.12 1ugm s LYS 51 Ca -0.20 -0.11 0.07 0.00 -1.00 0.00 0.00 55.97 54.72 1ugm s LYS 51 Cb 0.06 -3.27 -0.03 0.00 -2.06 0.00 0.00 37.83 32.54 1ugm s LYS 51 CO 0.30 0.60 -0.18 -0.06 0.10 0.00 0.00 175.35 176.11 1ugm s PHE 52 N -0.54 1.59 -0.43 1.78 0.40 0.25 -4.98 117.98 116.05 1ugm s PHE 52 Ca 0.14 -0.38 -0.09 0.00 -0.60 0.00 0.00 56.93 56.00 1ugm s PHE 52 Cb -0.12 -0.93 0.09 0.00 0.51 0.00 0.00 43.02 42.57 1ugm s PHE 52 CO 0.03 0.10 0.27 -0.51 0.70 0.00 0.00 175.22 175.80 1ugm s LEU 53 N -1.35 5.25 -0.24 -0.37 1.02 -1.26 0.04 118.68 121.77 1ugm s LEU 53 Ca 0.05 -1.62 -0.11 0.00 0.02 0.00 0.00 54.13 52.47 1ugm s LEU 53 Cb -0.09 -1.98 -0.05 0.00 0.02 0.00 0.00 46.19 44.10 1ugm s LEU 53 CO 0.02 -0.56 0.19 -0.69 0.02 0.00 0.00 176.35 175.33 1ugm s VAL 54 N 1.39 5.34 0.10 -1.59 1.01 -0.65 -4.83 120.40 121.17 1ugm s VAL 54 Ca 0.04 0.25 -0.36 0.00 0.00 0.00 0.00 61.98 61.91 1ugm s VAL 54 Cb -0.24 -3.53 -0.16 0.00 0.00 0.00 0.00 36.38 32.45 1ugm s VAL 54 CO 0.01 0.33 1.38 -0.81 0.00 0.00 0.00 175.10 176.00 1ugm n PRO 55 N 4.35 1.30 0.00 2.72 -0.04 -1.26 -0.38 135.00 141.69 1ugm n PRO 55 Ca -0.14 0.47 0.04 0.00 -0.04 0.00 0.00 63.50 63.83 1ugm n PRO 55 Cb 0.52 -2.13 0.22 0.00 -0.04 0.00 0.00 33.50 32.07 1ugm n PRO 55 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ugm n ASP 56 N 2.65 0.00 0.00 3.54 5.75 -0.52 -2.91 116.55 125.06 1ugm n ASP 56 Ca 0.18 -0.01 0.11 0.00 -0.01 0.00 0.00 54.79 55.06 1ugm n ASP 56 Cb 0.21 -0.16 0.09 0.00 -1.03 0.00 0.00 41.12 40.22 1ugm n ASP 56 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ugm n HIS 57 N -1.16 0.00 -2.89 2.11 1.44 -1.26 -2.82 115.22 110.64 1ugm n HIS 57 Ca 0.05 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.40 1ugm n HIS 57 Cb 0.05 -0.14 -0.06 0.00 0.12 0.00 0.00 29.99 29.95 1ugm n HIS 57 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1ugm s VAL 58 N -3.00 4.37 0.63 0.61 -7.23 -1.15 -4.77 120.40 109.86 1ugm s VAL 58 Ca 0.10 1.55 -0.00 0.00 -1.81 0.00 0.00 61.98 61.82 1ugm s VAL 58 Cb 0.17 -3.85 0.07 0.00 0.56 0.00 0.00 36.38 33.33 1ugm s VAL 58 CO 0.77 0.02 0.88 0.54 -0.31 0.00 0.00 175.10 177.00 1ugm s ASN 59 N -1.81 4.92 0.49 4.85 2.20 -1.26 -0.30 114.94 124.02 1ugm s ASN 59 Ca 0.52 -0.06 0.14 0.00 -0.94 0.00 0.00 52.86 52.52 1ugm s ASN 59 Cb -0.15 -0.63 1.16 0.00 -2.00 0.00 0.00 41.25 39.62 1ugm s ASN 59 CO 0.20 -1.43 2.11 0.24 -2.94 0.00 0.00 177.10 175.28 1ugm h MET 60 N -0.21 0.16 -0.04 3.55 2.86 -1.20 -2.30 114.93 117.75 1ugm h MET 60 Ca -0.41 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1ugm h MET 60 Cb 1.29 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 1ugm h MET 60 CO 0.49 0.11 0.03 1.03 1.06 0.00 0.00 176.91 179.63 1ugm h SER 61 N 0.16 0.05 -0.57 1.22 0.87 -1.09 -0.50 113.55 113.69 1ugm h SER 61 Ca 0.07 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 1ugm h SER 61 Cb 0.07 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1ugm h SER 61 CO -0.01 0.04 -0.00 -0.08 -0.53 0.00 0.00 176.83 176.25 1ugm h GLU 62 N 0.04 1.02 -0.89 2.24 4.57 -1.74 -2.27 114.58 117.55 1ugm h GLU 62 Ca 0.01 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1ugm h GLU 62 Cb 0.00 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.45 1ugm h GLU 62 CO -0.00 1.00 0.52 1.25 -1.18 0.00 0.00 179.01 180.60 1ugm h LEU 63 N 0.94 1.08 -0.31 1.64 5.85 -1.15 0.11 115.31 123.47 1ugm h LEU 63 Ca 0.17 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1ugm h LEU 63 Cb 0.54 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1ugm h LEU 63 CO 0.03 0.84 0.19 0.40 -0.34 0.00 0.00 178.44 179.56 1ugm h ILE 64 N 1.24 1.10 -0.94 4.05 2.04 -0.80 0.23 117.51 124.44 1ugm h ILE 64 Ca 0.32 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.97 1ugm h ILE 64 Cb -0.03 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1ugm h ILE 64 CO -0.06 0.10 0.61 0.11 0.00 0.00 0.00 178.15 178.92 1ugm h LYS 65 N 0.40 1.19 -0.19 2.37 1.57 -0.75 0.31 116.57 121.47 1ugm h LYS 65 Ca 0.11 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1ugm h LYS 65 Cb 0.00 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 1ugm h LYS 65 CO -0.02 0.79 0.10 0.82 -0.57 0.00 0.00 179.45 180.57 1ugm h ILE 66 N 1.22 1.11 -0.39 1.86 2.04 -0.26 -1.14 117.51 121.95 1ugm h ILE 66 Ca 0.36 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 1ugm h ILE 66 Cb -0.07 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1ugm h ILE 66 CO -0.10 0.11 0.13 0.40 0.00 0.00 0.00 178.15 178.69 1ugm h ILE 67 N 0.20 1.21 -0.88 -0.67 1.08 -0.55 -0.73 117.51 117.18 1ugm h ILE 67 Ca 0.07 -0.68 0.05 0.00 -0.39 0.00 0.00 64.86 63.90 1ugm h ILE 67 Cb 0.08 0.92 -0.05 0.00 -3.07 0.00 0.00 36.82 34.69 1ugm h ILE 67 CO -0.01 0.24 0.57 0.03 -0.69 0.00 0.00 178.15 178.29 1ugm h ARG 68 N 0.49 1.01 -0.28 2.37 3.08 -0.83 -0.91 114.38 119.31 1ugm h ARG 68 Ca 0.13 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 1ugm h ARG 68 Cb 0.24 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1ugm h ARG 68 CO -0.01 0.67 -0.45 0.00 -1.07 0.00 0.00 179.97 179.12 1ugm h ARG 69 N 1.04 0.73 -0.03 0.04 3.08 -0.76 -1.93 114.38 116.55 1ugm h ARG 69 Ca 0.36 -0.40 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1ugm h ARG 69 Cb 0.11 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1ugm h ARG 69 CO -0.12 1.02 -0.39 -0.09 -1.07 0.00 0.00 179.97 179.32 1ugm h ARG 70 N 0.59 0.06 -0.00 0.04 2.43 -0.42 -1.95 114.38 115.13 1ugm h ARG 70 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ugm h ARG 70 Cb 1.00 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1ugm h ARG 70 CO 0.09 0.45 -0.13 1.28 -1.51 0.00 0.00 179.97 180.15 1ugm n LEU 71 N -4.06 0.21 -3.63 3.80 4.77 -0.41 -4.95 117.00 112.73 1ugm n LEU 71 Ca -0.02 0.26 -0.23 0.00 -0.03 0.00 0.00 56.01 56.00 1ugm n LEU 71 Cb 0.44 -0.35 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1ugm n LEU 71 CO 0.40 0.05 0.12 0.00 -1.33 0.00 0.00 177.39 176.62 1ugm n GLN 72 N -1.36 -6.52 -2.19 3.23 6.02 -0.73 -4.94 117.38 110.88 1ugm n GLN 72 Ca 0.09 0.75 -0.28 0.00 -0.01 0.00 0.00 57.00 57.55 1ugm n GLN 72 Cb 0.31 -5.67 0.03 0.00 1.02 0.00 0.00 30.24 25.93 1ugm n GLN 72 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ugm s LEU 73 N -6.90 3.18 0.23 1.08 1.43 -0.96 -5.06 118.68 111.68 1ugm s LEU 73 Ca 0.31 0.98 0.07 0.00 -1.03 0.00 0.00 54.13 54.47 1ugm s LEU 73 Cb -0.14 -3.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 1ugm s LEU 73 CO 0.76 -1.05 0.11 0.54 0.23 0.00 0.00 176.35 176.94 1ugm s ASN 74 N -4.27 5.18 0.34 2.29 4.22 -1.26 -4.94 114.94 116.50 1ugm s ASN 74 Ca 0.54 -0.34 0.12 0.00 -2.14 0.00 0.00 52.86 51.05 1ugm s ASN 74 Cb -0.11 -1.23 0.67 0.00 1.28 0.00 0.00 41.25 41.87 1ugm s ASN 74 CO 0.49 0.01 1.26 0.00 -2.04 0.00 0.00 177.10 176.82 1ugm h ALA 75 N 1.95 1.25 0.00 3.54 0.00 -2.02 0.13 119.26 124.11 1ugm h ALA 75 Ca -0.47 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 1ugm h ALA 75 Cb 1.23 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1ugm h ALA 75 CO 0.61 -0.25 -1.28 0.09 0.00 0.00 0.00 179.25 178.42 1ugm n ASN 76 N -2.06 0.84 -4.69 0.00 3.02 -1.26 -4.90 115.26 106.20 1ugm n ASN 76 Ca -0.01 0.35 -0.42 0.00 -0.03 0.00 0.00 54.58 54.47 1ugm n ASN 76 Cb 0.38 0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.82 1ugm n ASN 76 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1ugm s GLN 77 N -3.09 4.35 0.50 3.52 -0.21 0.03 -5.01 119.66 119.76 1ugm s GLN 77 Ca -0.02 1.77 -0.20 0.00 0.02 0.00 0.00 55.36 56.92 1ugm s GLN 77 Cb 0.09 -3.51 -0.07 0.00 1.00 0.00 0.00 33.01 30.52 1ugm s GLN 77 CO 0.81 -0.43 1.08 0.00 -2.12 0.00 0.00 175.29 174.62 1ugm s ALA 78 N 1.98 2.83 -0.14 6.09 0.00 -1.26 -4.86 121.76 126.40 1ugm s ALA 78 Ca 0.58 0.72 -0.06 0.00 0.00 0.00 0.00 51.96 53.20 1ugm s ALA 78 Cb -0.27 -3.30 0.06 0.00 0.00 0.00 0.00 23.12 19.60 1ugm s ALA 78 CO 0.25 -0.50 0.32 0.12 0.00 0.00 0.00 175.76 175.94 1ugm s PHE 79 N -1.85 -0.50 -0.04 0.00 5.36 -1.26 -4.59 117.98 115.10 1ugm s PHE 79 Ca 0.68 1.08 0.03 0.00 -0.96 0.00 0.00 56.93 57.77 1ugm s PHE 79 Cb -0.20 0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.60 1ugm s PHE 79 CO 0.24 -0.33 -0.12 -0.06 -1.46 0.00 0.00 175.22 173.48 1ugm s PHE 80 N 1.82 1.32 -0.17 10.12 0.40 -0.54 -5.01 117.98 125.93 1ugm s PHE 80 Ca -0.05 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.90 1ugm s PHE 80 Cb -0.11 -0.93 0.02 0.00 0.51 0.00 0.00 43.02 42.52 1ugm s PHE 80 CO -0.10 -0.16 -0.19 -1.17 0.70 0.00 0.00 175.22 174.30 1ugm s LEU 81 N 0.25 2.05 0.03 -0.37 2.96 -1.26 -1.87 118.68 120.46 1ugm s LEU 81 Ca -0.06 -0.62 -0.10 0.00 -0.22 0.00 0.00 54.13 53.13 1ugm s LEU 81 Cb -0.11 -1.43 -0.05 0.00 0.50 0.00 0.00 46.19 45.10 1ugm s LEU 81 CO 0.02 -0.01 0.35 -0.76 -1.32 0.00 0.00 176.35 174.63 1ugm s LEU 82 N 1.30 4.39 -0.11 -0.68 1.43 0.19 -4.31 118.68 120.90 1ugm s LEU 82 Ca 0.05 0.76 0.03 0.00 -1.03 0.00 0.00 54.13 53.93 1ugm s LEU 82 Cb -0.13 -2.73 0.01 0.00 0.03 0.00 0.00 46.19 43.36 1ugm s LEU 82 CO -0.12 0.25 -0.20 -0.69 0.23 0.00 0.00 176.35 175.82 1ugm s VAL 83 N -1.26 1.83 -1.40 -1.59 1.01 0.58 -1.37 120.40 118.19 1ugm s VAL 83 Ca 0.28 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 1ugm s VAL 83 Cb -0.14 -1.61 0.07 0.00 0.00 0.00 0.00 36.38 34.69 1ugm s VAL 83 CO 0.15 0.51 0.62 -3.20 0.00 0.00 0.00 175.10 173.18 1ugm n ASN 84 N 3.89 -4.26 0.00 3.32 5.15 0.09 -1.46 115.26 121.99 1ugm n ASN 84 Ca -0.20 -0.49 0.00 0.00 -0.60 0.00 0.00 54.58 53.29 1ugm n ASN 84 Cb 0.52 -3.48 0.00 0.00 -0.53 0.00 0.00 39.78 36.29 1ugm n ASN 84 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ugm n GLY 85 N -1.34 2.22 3.38 8.20 0.00 -1.26 -5.03 105.19 111.35 1ugm n GLY 85 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1ugm n GLY 85 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ugm s HIS 86 N -2.65 1.76 0.71 1.61 -3.43 -0.53 -5.03 115.29 107.73 1ugm s HIS 86 Ca 0.00 -0.75 -0.13 0.00 -0.80 0.00 0.00 55.06 53.38 1ugm s HIS 86 Cb 0.00 -0.98 0.03 0.00 -1.43 0.00 0.00 32.58 30.20 1ugm s HIS 86 CO 0.00 0.18 1.10 -1.54 -2.00 0.00 0.00 174.74 172.49 1ugm s SER 87 N -3.37 4.81 0.16 7.38 1.04 -1.26 -0.30 113.70 122.16 1ugm s SER 87 Ca 0.27 1.92 -0.30 0.00 0.48 0.00 0.00 55.95 58.33 1ugm s SER 87 Cb 0.04 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 63.55 1ugm s SER 87 CO 0.09 -1.83 1.02 -0.04 0.98 0.00 0.00 173.24 173.46 1ugm s MET 88 N -4.46 4.68 -0.06 4.02 1.00 -1.26 -4.81 119.30 118.41 1ugm s MET 88 Ca 0.64 1.57 -0.25 0.00 0.00 0.00 0.00 55.69 57.66 1ugm s MET 88 Cb -0.19 -3.32 -0.24 0.00 0.00 0.00 0.00 34.83 31.08 1ugm s MET 88 CO 0.48 0.21 1.00 0.28 0.00 0.00 0.00 175.02 176.99 1ugm h VAL 89 N 3.75 1.56 -3.75 -6.03 2.07 -1.99 -3.45 116.25 108.41 1ugm h VAL 89 Ca -0.44 -2.02 -0.45 0.00 0.82 0.00 0.00 66.70 64.61 1ugm h VAL 89 Cb 1.21 2.85 -0.31 0.00 -1.52 0.00 0.00 31.29 33.51 1ugm h VAL 89 CO 0.71 0.55 -0.79 -0.94 0.02 0.00 0.00 177.57 177.12 1ugm s SER 90 N -6.36 1.35 0.00 0.57 1.04 -1.26 -5.02 113.70 104.02 1ugm s SER 90 Ca -0.16 -0.21 0.25 0.00 0.48 0.00 0.00 55.95 56.30 1ugm s SER 90 Cb 0.01 -0.42 0.41 0.00 0.10 0.00 0.00 66.02 66.12 1ugm s SER 90 CO 0.74 0.06 1.34 0.52 0.98 0.00 0.00 173.24 176.89 1ugm n VAL 91 N 3.39 0.00 1.28 5.02 0.31 -1.26 -3.97 118.33 123.11 1ugm n VAL 91 Ca -0.19 -0.06 0.13 0.00 -0.01 0.00 0.00 64.34 64.21 1ugm n VAL 91 Cb 0.54 0.51 0.35 0.00 -0.91 0.00 0.00 33.84 34.33 1ugm n VAL 91 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1ugm n SER 92 N -1.11 1.74 -4.73 4.52 3.41 -1.26 -0.48 113.62 115.71 1ugm n SER 92 Ca 0.08 -1.45 -0.41 0.00 -0.26 0.00 0.00 58.87 56.82 1ugm n SER 92 Cb 0.35 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 1ugm n SER 92 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ugm s THR 93 N -2.18 3.61 0.20 6.66 2.01 -1.25 -4.78 115.64 119.91 1ugm s THR 93 Ca 0.30 1.29 -0.31 0.00 0.31 0.00 0.00 61.69 63.29 1ugm s THR 93 Cb 0.20 -3.82 -0.10 0.00 0.01 0.00 0.00 72.50 68.79 1ugm s THR 93 CO 0.40 0.17 1.47 -2.84 -0.69 0.00 0.00 174.62 173.13 1ugm s PRO 94 N 0.15 4.26 0.61 4.92 0.02 -1.26 -2.18 135.00 141.52 1ugm s PRO 94 Ca 0.55 2.28 0.29 0.00 0.02 0.00 0.00 61.00 64.15 1ugm s PRO 94 Cb -0.33 -3.14 1.60 0.00 0.02 0.00 0.00 34.50 32.65 1ugm s PRO 94 CO 0.35 -0.48 1.99 0.97 -0.33 0.00 0.00 177.00 179.50 1ugm h ILE 95 N 3.79 0.32 -0.35 2.83 2.10 -0.83 0.26 117.51 125.64 1ugm h ILE 95 Ca -0.44 0.00 -0.10 0.00 1.08 0.00 0.00 64.86 65.40 1ugm h ILE 95 Cb 1.21 0.72 -0.02 0.00 -1.09 0.00 0.00 36.82 37.64 1ugm h ILE 95 CO 0.83 0.00 -0.18 0.77 -1.08 0.00 0.00 178.15 178.49 1ugm h SER 96 N 0.00 0.64 -0.06 2.19 4.64 -1.77 0.14 113.55 119.33 1ugm h SER 96 Ca 0.12 -0.20 -0.14 0.00 -0.47 0.00 0.00 61.79 61.10 1ugm h SER 96 Cb 0.79 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1ugm h SER 96 CO -0.00 0.83 -0.50 -0.33 -0.87 0.00 0.00 176.83 175.95 1ugm h GLU 97 N 0.57 0.44 -0.83 4.77 5.08 -0.82 -3.04 114.58 120.74 1ugm h GLU 97 Ca 0.09 -0.40 0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1ugm h GLU 97 Cb 0.63 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 1ugm h GLU 97 CO 0.04 1.04 0.52 0.28 -1.00 0.00 0.00 179.01 179.89 1ugm h VAL 98 N -0.03 1.05 -0.10 3.13 2.07 -1.12 -2.76 116.25 118.48 1ugm h VAL 98 Ca -0.05 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.17 1ugm h VAL 98 Cb 1.17 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1ugm h VAL 98 CO 0.10 0.17 -0.04 0.22 0.02 0.00 0.00 177.57 178.04 1ugm h TYR 99 N 0.95 -0.09 -0.68 1.57 3.20 -0.72 0.07 116.97 121.27 1ugm h TYR 99 Ca 0.36 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.37 1ugm h TYR 99 Cb 0.14 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 1ugm h TYR 99 CO -0.03 -0.07 0.46 0.93 -1.64 0.00 0.00 178.16 177.80 1ugm h GLU 100 N -0.03 0.34 0.00 1.82 5.08 -1.37 -0.28 114.58 120.14 1ugm h GLU 100 Ca 0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ugm h GLU 100 Cb 0.11 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ugm h GLU 100 CO -0.12 0.23 -1.45 -1.13 -1.00 0.00 0.00 179.01 175.54 1ugm n SER 101 N -4.46 1.13 -0.27 1.42 3.41 -1.08 -4.60 113.62 109.16 1ugm n SER 101 Ca 0.12 -0.26 0.03 0.00 -0.26 0.00 0.00 58.87 58.51 1ugm n SER 101 Cb 0.50 1.52 0.03 0.00 -0.26 0.00 0.00 64.21 66.00 1ugm n SER 101 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ugm n GLU 102 N -1.86 0.16 -1.90 4.33 -0.58 -0.01 -5.04 120.64 115.74 1ugm n GLU 102 Ca -0.01 -0.97 -0.38 0.00 -0.42 0.00 0.00 57.16 55.38 1ugm n GLU 102 Cb 0.37 -1.13 0.03 0.00 -0.57 0.00 0.00 31.44 30.14 1ugm n GLU 102 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1ugm s ARG 103 N -0.59 3.21 0.77 3.49 1.70 -0.13 -4.62 118.95 122.79 1ugm s ARG 103 Ca 0.08 2.09 -0.12 0.00 -0.47 0.00 0.00 55.73 57.31 1ugm s ARG 103 Cb 0.06 -2.22 0.05 0.00 -0.57 0.00 0.00 34.95 32.27 1ugm s ARG 103 CO 0.08 -1.09 1.11 0.34 -1.08 0.00 0.00 175.30 174.66 1ugm s ASP 104 N -1.13 4.80 0.46 -2.89 -1.08 0.14 -4.95 116.67 112.02 1ugm s ASP 104 Ca 0.71 1.15 0.15 0.00 -0.52 0.00 0.00 52.55 54.04 1ugm s ASP 104 Cb -0.37 -1.87 1.06 0.00 -1.46 0.00 0.00 42.92 40.29 1ugm s ASP 104 CO 0.43 -1.75 2.02 -0.33 0.52 0.00 0.00 175.17 176.06 1ugm h GLU 105 N -0.94 0.00 0.00 4.34 5.08 -1.95 -2.07 114.58 119.04 1ugm h GLU 105 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1ugm h GLU 105 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ugm h GLU 105 CO 0.62 0.15 0.00 -0.40 -1.00 0.00 0.00 179.01 178.38 1ugm n ASP 106 N -4.34 0.00 0.00 1.42 5.68 -1.26 -4.91 116.55 113.14 1ugm n ASP 106 Ca -0.03 0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.40 1ugm n ASP 106 Cb 0.22 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 1ugm n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ugm n GLY 107 N 0.95 2.89 3.89 6.12 0.00 -0.78 -3.73 105.19 114.52 1ugm n GLY 107 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1ugm n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ugm s PHE 108 N -2.65 3.58 -0.34 1.61 0.40 -1.26 -4.74 117.98 114.58 1ugm s PHE 108 Ca 0.00 1.03 -0.04 0.00 -0.60 0.00 0.00 56.93 57.32 1ugm s PHE 108 Cb 0.00 -2.49 0.05 0.00 0.51 0.00 0.00 43.02 41.10 1ugm s PHE 108 CO 0.00 -0.43 0.09 -1.17 0.70 0.00 0.00 175.22 174.41 1ugm s LEU 109 N -4.83 4.32 -0.02 -0.37 2.96 -0.52 -0.68 118.68 119.54 1ugm s LEU 109 Ca 0.51 -1.31 -0.22 0.00 -0.22 0.00 0.00 54.13 52.88 1ugm s LEU 109 Cb -0.11 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 1ugm s LEU 109 CO 0.47 -0.34 0.66 -0.31 -1.32 0.00 0.00 176.35 175.51 1ugm s TYR 110 N 1.32 3.65 0.04 5.38 1.51 -1.26 -1.28 117.35 126.71 1ugm s TYR 110 Ca -0.02 1.26 0.04 0.00 -1.01 0.00 0.00 57.07 57.35 1ugm s TYR 110 Cb -0.20 -2.72 -0.02 0.00 -0.11 0.00 0.00 41.96 38.90 1ugm s TYR 110 CO 0.01 0.23 -0.13 -1.64 -1.11 0.00 0.00 175.55 172.91 1ugm s MET 111 N 0.22 0.82 -0.01 -0.62 -1.94 0.81 -0.73 119.30 117.85 1ugm s MET 111 Ca 0.35 -0.75 0.03 0.00 -1.71 0.00 0.00 55.69 53.60 1ugm s MET 111 Cb -0.18 -0.79 -0.01 0.00 2.01 0.00 0.00 34.83 35.86 1ugm s MET 111 CO 0.18 0.19 -0.08 0.08 -0.01 0.00 0.00 175.02 175.38 1ugm s VAL 112 N -0.95 0.66 0.12 -6.03 1.01 -0.47 -1.41 120.40 113.33 1ugm s VAL 112 Ca -0.01 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.69 1ugm s VAL 112 Cb -0.08 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1ugm s VAL 112 CO 0.01 0.19 -0.17 -0.72 0.00 0.00 0.00 175.10 174.41 1ugm s TYR 113 N -0.15 1.60 0.24 5.22 -0.85 -0.88 0.56 117.35 123.09 1ugm s TYR 113 Ca 0.03 -0.48 -0.21 0.00 -0.52 0.00 0.00 57.07 55.89 1ugm s TYR 113 Cb -0.04 -0.84 0.03 0.00 0.38 0.00 0.00 41.96 41.49 1ugm s TYR 113 CO -0.00 0.20 0.65 0.00 -1.52 0.00 0.00 175.55 174.88 1ugm s ALA 114 N -1.73 -1.24 0.19 9.51 0.00 -0.78 -0.96 121.76 126.76 1ugm s ALA 114 Ca 0.09 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 51.98 1ugm s ALA 114 Cb -0.07 0.87 0.09 0.00 0.00 0.00 0.00 23.12 24.00 1ugm s ALA 114 CO 0.04 -0.93 1.44 0.77 0.00 0.00 0.00 175.76 177.09 1ugm h SER 115 N 2.04 0.16 -3.99 0.00 0.02 -1.88 -1.43 113.55 108.47 1ugm h SER 115 Ca -0.25 -0.12 -0.69 0.00 -0.84 0.00 0.00 61.79 59.89 1ugm h SER 115 Cb 1.27 -0.05 -0.24 0.00 0.14 0.00 0.00 62.40 63.52 1ugm h SER 115 CO 0.29 0.89 -0.78 -1.10 -1.14 0.00 0.00 176.83 175.00 1ugm s GLN 116 N -3.31 2.57 0.00 3.45 -0.21 -1.26 -4.42 119.66 116.47 1ugm s GLN 116 Ca -0.02 -0.71 0.28 0.00 0.02 0.00 0.00 55.36 54.93 1ugm s GLN 116 Cb 0.11 -2.38 1.08 0.00 1.00 0.00 0.00 33.01 32.82 1ugm s GLN 116 CO 0.81 0.58 1.76 -0.85 -2.12 0.00 0.00 175.29 175.47