#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbm n ASP 2 N 0.00 5.14 -4.82 3.17 2.03 -1.26 -4.99 116.55 115.83 3mbm n ASP 2 Ca 0.00 -3.10 -0.33 0.00 0.52 0.00 0.00 54.79 51.87 3mbm n ASP 2 Cb 0.00 -1.48 -0.06 0.00 -0.72 0.00 0.00 41.12 38.86 3mbm n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3mbm s PHE 3 N 0.42 3.27 0.02 -0.67 0.08 -1.26 -1.65 117.98 118.19 3mbm s PHE 3 Ca 0.40 1.60 0.01 0.00 0.12 0.00 0.00 56.93 59.05 3mbm s PHE 3 Cb 0.08 -2.88 -0.01 0.00 -0.57 0.00 0.00 43.02 39.64 3mbm s PHE 3 CO 0.01 -0.24 -0.04 1.03 -0.10 0.00 0.00 175.22 175.87 3mbm s ARG 4 N -3.25 0.32 0.09 0.44 1.81 -0.38 -4.97 118.95 113.01 3mbm s ARG 4 Ca 0.63 -0.43 0.06 0.00 -1.72 0.00 0.00 55.73 54.27 3mbm s ARG 4 Cb -0.10 -0.12 -0.04 0.00 -0.45 0.00 0.00 34.95 34.24 3mbm s ARG 4 CO 0.15 0.02 -0.09 -1.50 -0.68 0.00 0.00 175.30 173.20 3mbm s ILE 5 N -0.87 3.43 0.06 1.52 2.07 -1.26 -1.57 121.20 124.57 3mbm s ILE 5 Ca -0.08 -1.18 0.02 0.00 -1.41 0.00 0.00 60.65 58.00 3mbm s ILE 5 Cb -0.06 -2.58 -0.03 0.00 0.13 0.00 0.00 42.46 39.91 3mbm s ILE 5 CO -0.00 0.16 -0.08 -0.83 -1.91 0.00 0.00 174.94 172.28 3mbm s GLY 6 N -2.08 0.59 0.02 1.50 0.00 0.31 -4.05 107.32 103.60 3mbm s GLY 6 Ca 0.21 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 44.02 3mbm s GLY 6 CO 0.13 -0.99 -0.05 -0.86 0.00 0.00 0.00 173.10 171.33 3mbm s GLN 7 N -2.15 0.36 0.06 2.90 1.03 -1.26 -1.29 119.66 119.31 3mbm s GLN 7 Ca -0.04 -0.42 0.02 0.00 0.04 0.00 0.00 55.36 54.96 3mbm s GLN 7 Cb -0.06 -0.20 -0.03 0.00 0.03 0.00 0.00 33.01 32.75 3mbm s GLN 7 CO -0.01 0.04 -0.08 0.20 -2.54 0.00 0.00 175.29 172.90 3mbm s GLY 8 N -0.84 0.58 -0.00 2.60 0.00 0.18 -3.97 107.32 105.88 3mbm s GLY 8 Ca -0.06 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.76 3mbm s GLY 8 CO -0.00 -0.97 -0.01 -0.47 0.00 0.00 0.00 173.10 171.65 3mbm s TYR 9 N -1.86 0.10 0.02 1.90 6.14 -1.26 -1.02 117.35 121.37 3mbm s TYR 9 Ca -0.05 -0.03 -0.19 0.00 0.64 0.00 0.00 57.07 57.44 3mbm s TYR 9 Cb -0.07 -0.07 0.04 0.00 0.42 0.00 0.00 41.96 42.28 3mbm s TYR 9 CO -0.01 -0.01 0.42 0.34 0.64 0.00 0.00 175.55 176.94 3mbm s ASP 10 N -0.07 -0.31 -0.07 4.32 2.15 -0.23 -4.68 116.67 117.78 3mbm s ASP 10 Ca -0.00 0.10 -0.09 0.00 0.43 0.00 0.00 52.55 52.99 3mbm s ASP 10 Cb -0.01 0.42 0.02 0.00 -0.30 0.00 0.00 42.92 43.05 3mbm s ASP 10 CO -0.00 -0.61 0.24 0.54 -0.17 0.00 0.00 175.17 175.16 3mbm s VAL 11 N -2.09 0.02 0.06 1.11 0.11 -1.26 -0.86 120.40 117.49 3mbm s VAL 11 Ca -0.08 -0.15 0.03 0.00 -2.93 0.00 0.00 61.98 58.86 3mbm s VAL 11 Cb -0.02 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 3mbm s VAL 11 CO 0.00 -0.08 -0.10 -1.00 -3.33 0.00 0.00 175.10 170.59 3mbm s HIS 12 N -0.24 0.90 0.44 1.54 3.76 -0.97 -5.00 115.29 115.72 3mbm s HIS 12 Ca -0.04 -0.54 -0.23 0.00 -0.15 0.00 0.00 55.06 54.11 3mbm s HIS 12 Cb -0.03 -0.52 -0.08 0.00 1.11 0.00 0.00 32.58 33.06 3mbm s HIS 12 CO 0.01 -0.03 1.11 -0.65 -0.85 0.00 0.00 174.74 174.32 3mbm s GLN 13 N -1.94 3.91 -0.23 1.40 -0.21 -1.26 -1.47 119.66 119.85 3mbm s GLN 13 Ca -0.04 1.63 -0.16 0.00 0.02 0.00 0.00 55.36 56.80 3mbm s GLN 13 Cb -0.08 -2.42 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 3mbm s GLN 13 CO 0.01 -0.39 0.43 -0.51 -2.12 0.00 0.00 175.29 172.71 3mbm s LEU 14 N -2.94 4.10 0.05 2.90 1.43 -0.28 -0.99 118.68 122.95 3mbm s LEU 14 Ca 0.62 0.48 0.04 0.00 -1.03 0.00 0.00 54.13 54.24 3mbm s LEU 14 Cb -0.25 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 3mbm s LEU 14 CO 0.30 -0.16 -0.11 0.68 0.23 0.00 0.00 176.35 177.29 3mbm s VAL 15 N 1.74 0.82 0.62 -1.59 -7.23 0.16 -4.83 120.40 110.09 3mbm s VAL 15 Ca 0.19 -1.16 -0.18 0.00 -1.81 0.00 0.00 61.98 59.02 3mbm s VAL 15 Cb -0.15 -0.83 -0.02 0.00 0.56 0.00 0.00 36.38 35.94 3mbm s VAL 15 CO 0.09 -0.28 1.26 -2.16 -0.31 0.00 0.00 175.10 173.70 3mbm s PRO 16 N -1.59 2.72 -0.54 4.82 0.04 -1.26 -1.21 135.00 137.98 3mbm s PRO 16 Ca -0.06 1.98 0.00 0.00 0.04 0.00 0.00 61.00 62.96 3mbm s PRO 16 Cb -0.10 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3mbm s PRO 16 CO 0.01 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.02 3mbm n GLY 17 N 0.75 0.48 3.16 0.56 0.00 -1.26 -4.85 105.19 104.03 3mbm n GLY 17 Ca 0.15 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 3mbm n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mbm s ARG 18 N -3.39 1.07 0.47 1.61 1.81 -1.25 -5.00 118.95 114.28 3mbm s ARG 18 Ca 0.00 -0.76 -0.21 0.00 -1.72 0.00 0.00 55.73 53.04 3mbm s ARG 18 Cb 0.00 -1.10 -0.08 0.00 -0.45 0.00 0.00 34.95 33.32 3mbm s ARG 18 CO 0.00 0.28 1.05 -2.14 -0.68 0.00 0.00 175.30 173.81 3mbm s PRO 19 N -1.01 3.86 -0.46 3.54 0.02 -1.26 -2.24 135.00 137.45 3mbm s PRO 19 Ca 0.03 1.44 -0.17 0.00 0.02 0.00 0.00 61.00 62.32 3mbm s PRO 19 Cb -0.08 -2.22 0.05 0.00 0.02 0.00 0.00 34.50 32.27 3mbm s PRO 19 CO 0.01 -0.39 0.48 -1.17 -0.33 0.00 0.00 177.00 175.60 3mbm s LEU 20 N -3.27 5.10 -0.18 -5.54 2.96 -1.26 -3.42 118.68 113.07 3mbm s LEU 20 Ca 0.65 -0.92 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3mbm s LEU 20 Cb -0.19 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.18 3mbm s LEU 20 CO 0.23 -0.69 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.76 3mbm s ILE 21 N 2.15 2.01 -0.05 6.68 1.01 -1.26 -0.61 121.20 131.13 3mbm s ILE 21 Ca 0.11 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 3mbm s ILE 21 Cb -0.20 -1.85 0.03 0.00 0.01 0.00 0.00 42.46 40.44 3mbm s ILE 21 CO 0.11 0.47 -0.02 -0.63 0.00 0.00 0.00 174.94 174.88 3mbm s ILE 22 N 1.30 0.39 -1.57 2.92 1.01 -0.51 -4.27 121.20 120.47 3mbm s ILE 22 Ca 0.04 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 3mbm s ILE 22 Cb -0.14 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 41.86 3mbm s ILE 22 CO -0.12 0.22 0.55 0.61 0.00 0.00 0.00 174.94 176.20 3mbm n GLY 23 N 4.50 -0.52 3.06 6.18 0.00 -1.26 -1.16 105.19 115.98 3mbm n GLY 23 Ca -0.18 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3mbm n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mbm n GLY 24 N -1.46 1.55 3.63 -0.02 0.00 -1.26 -4.40 105.19 103.24 3mbm n GLY 24 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 3mbm n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mbm s VAL 25 N -3.57 5.28 -0.20 1.61 1.01 -0.31 -5.05 120.40 119.17 3mbm s VAL 25 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 3mbm s VAL 25 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3mbm s VAL 25 CO 0.00 0.27 1.10 -0.89 0.00 0.00 0.00 175.10 175.58 3mbm s THR 26 N 1.47 4.57 -0.15 3.92 2.01 -1.26 -1.43 115.64 124.78 3mbm s THR 26 Ca 0.11 1.90 -0.01 0.00 0.31 0.00 0.00 61.69 63.99 3mbm s THR 26 Cb -0.15 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 3mbm s THR 26 CO 0.08 -0.15 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.12 3mbm s ILE 27 N 3.18 3.20 0.16 1.82 1.01 0.22 -5.01 121.20 125.78 3mbm s ILE 27 Ca 0.47 -0.60 -0.32 0.00 0.00 0.00 0.00 60.65 60.21 3mbm s ILE 27 Cb -0.17 -2.38 -0.12 0.00 0.01 0.00 0.00 42.46 39.81 3mbm s ILE 27 CO 0.09 0.50 1.76 -2.65 0.00 0.00 0.00 174.94 174.64 3mbm n PRO 28 N 3.79 2.70 -3.62 2.79 -0.02 -1.26 -4.23 135.00 135.15 3mbm n PRO 28 Ca -0.18 0.98 -0.05 0.00 -2.02 0.00 0.00 63.50 62.23 3mbm n PRO 28 Cb 0.52 -2.83 -0.04 0.00 -0.02 0.00 0.00 33.50 31.12 3mbm n PRO 28 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3mbm s TYR 29 N 1.80 -0.16 -0.18 6.00 5.04 -1.26 -4.95 117.35 123.64 3mbm s TYR 29 Ca 0.79 0.27 0.29 0.00 -2.44 0.00 0.00 57.07 55.97 3mbm s TYR 29 Cb -0.52 0.48 1.03 0.00 0.35 0.00 0.00 41.96 43.30 3mbm s TYR 29 CO 0.35 -0.14 1.84 1.05 -1.34 0.00 0.00 175.55 177.31 3mbm h GLU 30 N 2.24 0.00 -5.53 4.97 9.09 -1.93 -3.45 114.58 119.97 3mbm h GLU 30 Ca -0.12 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.76 3mbm h GLU 30 Cb 1.18 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 28.14 3mbm h GLU 30 CO 0.25 0.00 -0.64 1.03 0.05 0.00 0.00 179.01 179.70 3mbm s ARG 31 N -3.46 1.70 0.27 1.06 0.52 -1.26 -4.01 118.95 113.76 3mbm s ARG 31 Ca 0.04 -1.90 -0.00 0.00 -0.52 0.00 0.00 55.73 53.34 3mbm s ARG 31 Cb 0.08 -1.26 -0.03 0.00 0.52 0.00 0.00 34.95 34.27 3mbm s ARG 31 CO 0.55 -0.02 0.28 0.20 0.02 0.00 0.00 175.30 176.33 3mbm s GLY 32 N -3.53 1.60 0.16 -3.53 0.00 -0.35 -4.11 107.32 97.57 3mbm s GLY 32 Ca 0.33 -1.68 -0.25 0.00 0.00 0.00 0.00 44.72 43.12 3mbm s GLY 32 CO 0.15 -1.26 0.76 1.08 0.00 0.00 0.00 173.10 173.82 3mbm s LEU 33 N -3.22 4.58 -0.15 0.66 1.43 -1.22 -0.67 118.68 120.09 3mbm s LEU 33 Ca 0.36 1.60 -0.16 0.00 -1.03 0.00 0.00 54.13 54.90 3mbm s LEU 33 Cb 0.03 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 3mbm s LEU 33 CO 0.18 0.21 0.40 -0.22 0.23 0.00 0.00 176.35 177.15 3mbm s LEU 34 N -1.18 4.23 0.07 1.79 2.96 -0.16 -4.68 118.68 121.71 3mbm s LEU 34 Ca 0.35 0.65 -0.27 0.00 -0.22 0.00 0.00 54.13 54.64 3mbm s LEU 34 Cb -0.23 -2.56 0.09 0.00 0.50 0.00 0.00 46.19 44.00 3mbm s LEU 34 CO 0.25 0.00 1.15 -0.83 -1.32 0.00 0.00 176.35 175.61 3mbm s GLY 35 N 0.70 -0.25 0.20 7.98 0.00 -1.26 -4.41 107.32 110.29 3mbm s GLY 35 Ca 0.21 0.29 0.05 0.00 0.00 0.00 0.00 44.72 45.27 3mbm s GLY 35 CO 0.08 1.02 1.47 0.45 0.00 0.00 0.00 173.10 176.11 3mbm h HIS 36 N 2.00 0.23 -2.65 1.90 -0.00 -1.96 -3.44 115.15 111.23 3mbm h HIS 36 Ca -0.27 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 3mbm h HIS 36 Cb 1.21 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 3mbm h HIS 36 CO 0.61 0.85 0.00 -1.13 -0.00 0.00 0.00 177.93 178.27 3mbm n SER 37 N -3.74 0.00 0.00 2.45 3.41 -1.26 -4.86 113.62 109.62 3mbm n SER 37 Ca -0.03 -0.16 0.08 0.00 -0.26 0.00 0.00 58.87 58.50 3mbm n SER 37 Cb 0.72 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 65.12 3mbm n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3mbm n ASP 38 N -0.49 0.00 -1.98 4.04 5.68 -0.83 -4.89 116.55 118.08 3mbm n ASP 38 Ca 0.00 -0.21 -0.15 0.00 -0.50 0.00 0.00 54.79 53.93 3mbm n ASP 38 Cb 0.00 -0.16 0.02 0.00 -1.14 0.00 0.00 41.12 39.84 3mbm n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mbm n ALA 39 N -1.16 -0.59 -2.21 2.12 0.00 -1.26 -4.73 120.51 112.68 3mbm n ALA 39 Ca 0.10 0.18 -0.35 0.00 0.00 0.00 0.00 53.44 53.37 3mbm n ALA 39 Cb 0.10 -2.51 -0.04 0.00 0.00 0.00 0.00 19.45 17.00 3mbm n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3mbm s ASP 40 N -2.70 5.57 0.34 0.00 -1.08 -1.26 -4.81 116.67 112.73 3mbm s ASP 40 Ca 0.16 -0.51 0.02 0.00 -0.52 0.00 0.00 52.55 51.70 3mbm s ASP 40 Cb -0.07 -2.55 0.62 0.00 -1.46 0.00 0.00 42.92 39.45 3mbm s ASP 40 CO 0.19 -2.29 1.98 1.62 0.52 0.00 0.00 175.17 177.20 3mbm h VAL 41 N 6.91 1.17 0.02 1.11 3.04 -1.91 -0.94 116.25 125.64 3mbm h VAL 41 Ca -0.03 -0.39 -0.00 0.00 -1.01 0.00 0.00 66.70 65.27 3mbm h VAL 41 Cb 1.06 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 3mbm h VAL 41 CO 1.26 0.18 -0.01 0.25 -1.01 0.00 0.00 177.57 178.24 3mbm h LEU 42 N 0.81 -0.02 -0.85 3.16 5.85 -1.90 -2.12 115.31 120.25 3mbm h LEU 42 Ca 0.21 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 3mbm h LEU 42 Cb -0.02 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3mbm h LEU 42 CO -0.04 0.33 0.33 -0.07 -0.34 0.00 0.00 178.44 178.65 3mbm h LEU 43 N -0.37 1.08 -0.63 2.25 3.38 -1.86 -1.97 115.31 117.18 3mbm h LEU 43 Ca -0.00 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3mbm h LEU 43 Cb 0.36 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3mbm h LEU 43 CO 0.00 0.95 0.40 0.45 0.09 0.00 0.00 178.44 180.33 3mbm h HIS 44 N 1.15 0.76 -0.63 1.13 3.86 -1.18 0.32 115.15 120.56 3mbm h HIS 44 Ca 0.27 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.41 3mbm h HIS 44 Cb 0.19 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 3mbm h HIS 44 CO 0.02 0.45 0.05 0.00 0.86 0.00 0.00 177.93 179.31 3mbm h ALA 45 N 1.25 0.88 -0.44 2.45 0.00 -0.99 -1.09 119.26 121.33 3mbm h ALA 45 Ca 0.24 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3mbm h ALA 45 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3mbm h ALA 45 CO -0.08 0.67 -0.08 0.82 0.00 0.00 0.00 179.25 180.58 3mbm h ILE 46 N 1.00 1.27 -0.39 0.00 2.04 -1.18 -1.03 117.51 119.22 3mbm h ILE 46 Ca 0.19 -1.17 0.06 0.00 1.00 0.00 0.00 64.86 64.94 3mbm h ILE 46 Cb 0.51 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 3mbm h ILE 46 CO 0.02 0.40 0.05 0.74 0.00 0.00 0.00 178.15 179.36 3mbm h THR 47 N 0.66 0.77 -0.75 -0.27 2.02 -0.71 -1.20 112.91 113.43 3mbm h THR 47 Ca 0.11 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 3mbm h THR 47 Cb 0.61 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3mbm h THR 47 CO 0.04 0.03 0.29 0.44 0.37 0.00 0.00 175.52 176.69 3mbm h ASP 48 N 0.17 1.03 -0.81 4.18 5.19 -0.97 -0.77 116.42 124.44 3mbm h ASP 48 Ca 0.19 -0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 3mbm h ASP 48 Cb 0.24 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 39.45 3mbm h ASP 48 CO -0.27 0.91 0.42 0.00 -3.12 0.00 0.00 179.24 177.18 3mbm h ALA 49 N 1.23 1.19 0.04 3.45 0.00 -0.73 0.58 119.26 125.02 3mbm h ALA 49 Ca 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3mbm h ALA 49 Cb 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3mbm h ALA 49 CO -0.02 0.63 -0.02 -0.07 0.00 0.00 0.00 179.25 179.77 3mbm h LEU 50 N 1.15 -0.05 -1.14 0.00 3.38 -0.88 -0.59 115.31 117.19 3mbm h LEU 50 Ca 0.28 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 57.95 3mbm h LEU 50 Cb 0.08 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 3mbm h LEU 50 CO -0.04 0.39 0.60 -0.26 0.09 0.00 0.00 178.44 179.22 3mbm h PHE 51 N -0.49 1.03 -0.47 1.13 0.04 -1.06 -2.22 116.94 114.90 3mbm h PHE 51 Ca -0.01 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.67 3mbm h PHE 51 Cb 0.45 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 3mbm h PHE 51 CO 0.07 0.46 -0.20 0.78 -0.60 0.00 0.00 178.31 178.83 3mbm h GLY 52 N 0.94 1.05 1.41 -1.45 0.00 -0.68 0.71 103.07 105.05 3mbm h GLY 52 Ca 0.43 -0.92 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 3mbm h GLY 52 CO -0.19 0.84 -0.19 0.00 0.00 0.00 0.00 176.54 177.00 3mbm h ALA 53 N 0.86 0.99 -0.05 3.60 0.00 -0.77 -2.04 119.26 121.84 3mbm h ALA 53 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3mbm h ALA 53 Cb 0.78 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3mbm h ALA 53 CO 0.06 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.91 3mbm n ALA 54 N -2.49 2.59 -3.81 0.00 0.00 -0.86 -4.62 120.51 111.31 3mbm n ALA 54 Ca 0.00 -0.32 -0.27 0.00 0.00 0.00 0.00 53.44 52.85 3mbm n ALA 54 Cb 0.40 -1.25 0.04 0.00 0.00 0.00 0.00 19.45 18.63 3mbm n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mbm n ALA 55 N -0.30 -1.47 -0.22 0.00 0.00 -0.48 -4.89 120.51 113.16 3mbm n ALA 55 Ca 0.18 0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.86 3mbm n ALA 55 Cb 0.21 -4.02 0.27 0.00 0.00 0.00 0.00 19.45 15.91 3mbm n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3mbm n LEU 56 N -4.63 3.62 0.00 0.00 4.77 0.12 -5.03 117.00 115.86 3mbm n LEU 56 Ca -0.05 -1.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.03 3mbm n LEU 56 Cb 0.57 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3mbm n LEU 56 CO 0.72 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 178.28 3mbm n GLY 57 N 1.36 1.03 3.84 -0.72 0.00 -1.26 -4.96 105.19 104.47 3mbm n GLY 57 Ca 0.21 -1.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 3mbm n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3mbm s ASP 58 N -4.00 -0.22 0.29 1.61 1.47 -1.26 -4.18 116.67 110.38 3mbm s ASP 58 Ca 0.00 -0.68 0.05 0.00 1.18 0.00 0.00 52.55 53.10 3mbm s ASP 58 Cb 0.00 0.73 0.46 0.00 -0.34 0.00 0.00 42.92 43.77 3mbm s ASP 58 CO 0.00 -1.37 1.72 -0.29 0.68 0.00 0.00 175.17 175.92 3mbm h ILE 59 N 2.02 1.28 -0.92 2.11 2.10 -1.92 -1.20 117.51 120.97 3mbm h ILE 59 Ca -0.21 -1.35 0.00 0.00 1.08 0.00 0.00 64.86 64.38 3mbm h ILE 59 Cb 1.25 1.50 -0.05 0.00 -1.09 0.00 0.00 36.82 38.44 3mbm h ILE 59 CO 0.25 0.42 0.59 1.23 -1.08 0.00 0.00 178.15 179.56 3mbm h GLY 60 N 1.08 1.31 0.98 8.18 0.00 -1.97 -0.58 103.07 112.08 3mbm h GLY 60 Ca 0.04 -0.52 -0.15 0.00 0.00 0.00 0.00 47.33 46.71 3mbm h GLY 60 CO 0.06 0.50 -0.44 0.07 0.00 0.00 0.00 176.54 176.73 3mbm h ARG 61 N 1.26 0.67 -0.10 4.80 -0.00 -1.83 -3.31 114.38 115.86 3mbm h ARG 61 Ca 0.33 -0.44 -0.20 0.00 -0.00 0.00 0.00 59.98 59.67 3mbm h ARG 61 Cb -0.10 0.06 0.00 0.00 -0.00 0.00 0.00 29.97 29.93 3mbm h ARG 61 CO -0.07 1.06 -0.76 0.45 -0.00 0.00 0.00 179.97 180.65 3mbm h HIS 62 N 0.37 0.76 -2.51 4.08 -0.00 -1.05 -3.40 115.15 113.39 3mbm h HIS 62 Ca 0.00 -0.34 -0.60 0.00 -0.00 0.00 0.00 60.37 59.44 3mbm h HIS 62 Cb 1.05 -0.11 -0.39 0.00 -0.00 0.00 0.00 27.41 27.96 3mbm h HIS 62 CO 0.09 1.13 -0.89 -0.06 -0.00 0.00 0.00 177.93 178.19 3mbm s PHE 63 N -3.65 1.55 -0.26 2.45 0.08 -0.24 -5.10 117.98 112.82 3mbm s PHE 63 Ca -0.07 -2.50 -0.40 0.00 0.12 0.00 0.00 56.93 54.08 3mbm s PHE 63 Cb 0.10 -1.26 -0.16 0.00 -0.57 0.00 0.00 43.02 41.13 3mbm s PHE 63 CO 0.87 -0.78 1.73 -1.13 -0.10 0.00 0.00 175.22 175.81 3mbm n SER 64 N 2.73 2.38 -4.52 1.36 3.41 -1.25 -4.66 113.62 113.08 3mbm n SER 64 Ca 0.27 1.07 -0.43 0.00 -0.26 0.00 0.00 58.87 59.53 3mbm n SER 64 Cb 0.45 -1.15 -0.06 0.00 -0.26 0.00 0.00 64.21 63.19 3mbm n SER 64 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3mbm n ASP 65 N 5.28 2.11 0.00 4.04 3.85 -1.26 -5.09 116.55 125.48 3mbm n ASP 65 Ca 0.26 0.01 0.00 0.00 -0.71 0.00 0.00 54.79 54.35 3mbm n ASP 65 Cb 0.14 -1.38 0.00 0.00 -1.35 0.00 0.00 41.12 38.53 3mbm n ASP 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3mbm n ALA 73 N 12.44 1.70 -2.33 2.12 0.00 -1.26 -5.00 120.51 128.19 3mbm n ALA 73 Ca 0.42 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 3mbm n ALA 73 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.78 3mbm n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3mbm s ASP 74 N 1.00 6.86 0.38 0.00 -1.08 -1.26 -1.97 116.67 120.60 3mbm s ASP 74 Ca 0.00 1.78 0.27 0.00 -0.52 0.00 0.00 52.55 54.08 3mbm s ASP 74 Cb 0.00 -2.54 1.28 0.00 -1.46 0.00 0.00 42.92 40.20 3mbm s ASP 74 CO 0.00 -0.83 1.83 0.28 0.52 0.00 0.00 175.17 176.97 3mbm h SER 75 N 8.60 0.00 0.50 -0.34 0.02 -1.96 -2.05 113.55 118.32 3mbm h SER 75 Ca -0.29 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.39 3mbm h SER 75 Cb 1.12 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.67 3mbm h SER 75 CO 0.97 0.00 -1.16 0.03 -1.14 0.00 0.00 176.83 175.53 3mbm h ARG 76 N 0.00 0.35 -0.85 3.45 3.08 -1.99 -1.01 114.38 117.42 3mbm h ARG 76 Ca 0.00 -0.50 -0.02 0.00 0.07 0.00 0.00 59.98 59.53 3mbm h ARG 76 Cb 0.25 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 3mbm h ARG 76 CO 0.00 1.20 0.46 0.00 -1.07 0.00 0.00 179.97 180.56 3mbm h ALA 77 N 0.59 1.08 -0.46 0.04 0.00 -1.78 -0.05 119.26 118.68 3mbm h ALA 77 Ca -0.13 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3mbm h ALA 77 Cb 1.86 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 3mbm h ALA 77 CO 0.20 0.60 -0.14 -0.07 0.00 0.00 0.00 179.25 179.84 3mbm h LEU 78 N 1.18 0.87 -0.45 0.00 3.38 -1.40 -0.97 115.31 117.92 3mbm h LEU 78 Ca 0.30 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3mbm h LEU 78 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3mbm h LEU 78 CO -0.05 1.01 0.13 0.25 0.09 0.00 0.00 178.44 179.87 3mbm h LEU 79 N 0.77 0.67 -1.06 1.67 5.85 -0.79 0.12 115.31 122.54 3mbm h LEU 79 Ca 0.12 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3mbm h LEU 79 Cb 0.66 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 3mbm h LEU 79 CO 0.05 0.71 0.63 0.03 -0.34 0.00 0.00 178.44 179.52 3mbm h ARG 80 N 0.59 1.26 -0.38 1.25 3.08 -0.85 -0.86 114.38 118.47 3mbm h ARG 80 Ca 0.14 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 3mbm h ARG 80 Cb 0.29 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3mbm h ARG 80 CO -0.00 0.84 -0.29 1.49 -1.07 0.00 0.00 179.97 180.93 3mbm h GLU 81 N 1.30 0.81 -0.34 0.04 4.57 -0.74 -1.93 114.58 118.29 3mbm h GLU 81 Ca 0.35 -0.37 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3mbm h GLU 81 Cb -0.15 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 3mbm h GLU 81 CO -0.08 1.00 0.20 0.00 -1.18 0.00 0.00 179.01 178.95 3mbm h ALA 83 N 1.15 1.64 -0.07 0.00 0.00 -0.97 -0.88 119.26 120.13 3mbm h ALA 83 Ca 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mbm h ALA 83 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3mbm h ALA 83 CO -0.06 0.32 0.03 1.03 0.00 0.00 0.00 179.25 180.57 3mbm h SER 84 N 0.70 0.09 -0.06 0.00 0.87 -0.74 -1.62 113.55 112.79 3mbm h SER 84 Ca 0.20 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 3mbm h SER 84 Cb -0.05 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3mbm h SER 84 CO -0.05 0.21 -0.12 0.03 -0.53 0.00 0.00 176.83 176.37 3mbm h ARG 85 N -0.03 0.37 -0.26 2.24 3.08 -0.53 0.17 114.38 119.42 3mbm h ARG 85 Ca 0.02 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 3mbm h ARG 85 Cb 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3mbm h ARG 85 CO -0.00 0.50 -0.02 0.28 -1.07 0.00 0.00 179.97 179.66 3mbm h VAL 86 N 0.35 1.27 -0.63 2.04 2.07 -1.08 -1.80 116.25 118.47 3mbm h VAL 86 Ca 0.07 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 3mbm h VAL 86 Cb 0.43 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3mbm h VAL 86 CO 0.02 0.31 0.29 0.00 0.02 0.00 0.00 177.57 178.21 3mbm h ALA 87 N 0.80 0.81 -0.40 1.67 0.00 -0.95 -2.30 119.26 118.90 3mbm h ALA 87 Ca 0.07 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3mbm h ALA 87 Cb 0.46 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3mbm h ALA 87 CO 0.02 0.39 0.27 0.37 0.00 0.00 0.00 179.25 180.30 3mbm h GLN 88 N 0.87 0.31 -0.00 0.00 5.75 -0.77 0.13 115.11 121.39 3mbm h GLN 88 Ca 0.22 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 3mbm h GLN 88 Cb 0.14 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.62 3mbm h GLN 88 CO -0.03 0.20 -0.06 0.00 -2.65 0.00 0.00 178.83 176.30 3mbm n ALA 89 N -2.52 2.60 -0.07 3.38 0.00 -0.69 -4.91 120.51 118.29 3mbm n ALA 89 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3mbm n ALA 89 Cb 0.24 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3mbm n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mbm n GLY 90 N 1.31 0.96 3.75 0.00 0.00 0.44 -5.09 105.19 106.55 3mbm n GLY 90 Ca 0.13 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3mbm n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mbm s PHE 91 N -2.00 3.16 -0.05 1.61 0.08 -0.94 -4.41 117.98 115.43 3mbm s PHE 91 Ca 0.00 0.08 0.03 0.00 0.12 0.00 0.00 56.93 57.16 3mbm s PHE 91 Cb 0.00 -1.63 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 3mbm s PHE 91 CO 0.00 0.51 -0.14 0.00 -0.10 0.00 0.00 175.22 175.49 3mbm s ALA 92 N -1.31 2.67 -0.01 5.36 0.00 0.80 -3.82 121.76 125.45 3mbm s ALA 92 Ca 0.27 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 3mbm s ALA 92 Cb -0.12 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 3mbm s ALA 92 CO 0.19 0.55 0.83 0.42 0.00 0.00 0.00 175.76 177.75 3mbm s ILE 93 N -0.71 4.89 -0.26 0.00 1.01 -1.26 -0.72 121.20 124.14 3mbm s ILE 93 Ca 0.11 1.74 -0.04 0.00 0.00 0.00 0.00 60.65 62.46 3mbm s ILE 93 Cb -0.11 -4.17 -0.16 0.00 0.01 0.00 0.00 42.46 38.03 3mbm s ILE 93 CO 0.01 0.24 -0.23 0.54 0.00 0.00 0.00 174.94 175.50 3mbm n ARG 94 N 3.58 0.63 -3.46 2.79 5.12 0.13 -4.94 116.66 120.52 3mbm n ARG 94 Ca 0.01 0.20 -0.11 0.00 -1.93 0.00 0.00 57.85 56.03 3mbm n ARG 94 Cb 0.51 -1.53 -0.02 0.00 -1.16 0.00 0.00 32.46 30.26 3mbm n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3mbm s ASN 95 N -6.89 -0.48 -0.02 0.55 4.22 -1.06 -4.85 114.94 106.41 3mbm s ASN 95 Ca -0.36 0.02 0.02 0.00 -2.14 0.00 0.00 52.86 50.41 3mbm s ASN 95 Cb 0.11 0.50 0.00 0.00 1.28 0.00 0.00 41.25 43.14 3mbm s ASN 95 CO 0.57 -0.80 -0.08 0.68 -2.04 0.00 0.00 177.10 175.43 3mbm s VAL 96 N -3.39 0.67 0.15 3.54 -7.23 -0.35 -1.45 120.40 112.33 3mbm s VAL 96 Ca 0.02 -0.30 0.06 0.00 -1.81 0.00 0.00 61.98 59.96 3mbm s VAL 96 Cb -0.01 -0.60 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 3mbm s VAL 96 CO -0.11 0.21 -0.13 -0.62 -0.31 0.00 0.00 175.10 174.14 3mbm s ASP 97 N 0.21 2.11 0.12 4.85 2.15 -0.40 -1.21 116.67 124.50 3mbm s ASP 97 Ca -0.03 -0.90 -0.25 0.00 0.43 0.00 0.00 52.55 51.80 3mbm s ASP 97 Cb -0.08 -0.07 0.07 0.00 -0.30 0.00 0.00 42.92 42.54 3mbm s ASP 97 CO 0.00 -0.19 0.74 -0.94 -0.17 0.00 0.00 175.17 174.62 3mbm s SER 98 N -2.81 -0.43 -0.01 -0.34 1.04 -0.99 -0.50 113.70 109.66 3mbm s SER 98 Ca 0.14 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.48 3mbm s SER 98 Cb -0.02 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3mbm s SER 98 CO 0.03 -0.89 -0.03 -0.89 0.98 0.00 0.00 173.24 172.44 3mbm s THR 99 N -3.51 0.29 -0.15 2.02 2.01 -0.11 -0.80 115.64 115.38 3mbm s THR 99 Ca 0.04 -0.12 -0.03 0.00 0.31 0.00 0.00 61.69 61.89 3mbm s THR 99 Cb -0.02 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 3mbm s THR 99 CO -0.08 0.10 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.28 3mbm s ILE 100 N 0.10 3.86 -0.37 1.82 1.01 0.99 -0.88 121.20 127.74 3mbm s ILE 100 Ca -0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.23 3mbm s ILE 100 Cb -0.04 -2.69 0.07 0.00 0.01 0.00 0.00 42.46 39.82 3mbm s ILE 100 CO -0.00 0.50 0.14 -0.63 0.00 0.00 0.00 174.94 174.94 3mbm s ILE 101 N 0.32 3.47 -0.05 2.92 1.01 0.37 -0.82 121.20 128.42 3mbm s ILE 101 Ca -0.04 -1.56 -0.02 0.00 0.00 0.00 0.00 60.65 59.03 3mbm s ILE 101 Cb -0.14 -3.14 0.03 0.00 0.01 0.00 0.00 42.46 39.22 3mbm s ILE 101 CO 0.03 -0.39 0.11 0.00 0.00 0.00 0.00 174.94 174.69 3mbm s ALA 102 N 1.28 -0.18 0.12 9.38 0.00 -0.44 -1.90 121.76 130.02 3mbm s ALA 102 Ca 0.01 0.54 -0.12 0.00 0.00 0.00 0.00 51.96 52.39 3mbm s ALA 102 Cb -0.21 -0.37 -0.10 0.00 0.00 0.00 0.00 23.12 22.44 3mbm s ALA 102 CO -0.01 -0.13 1.39 0.37 0.00 0.00 0.00 175.76 177.38 3mbm h GLN 103 N 7.09 0.88 -3.36 0.00 5.75 -1.82 -3.35 115.11 120.29 3mbm h GLN 103 Ca -0.41 -0.58 -0.04 0.00 -0.15 0.00 0.00 58.65 57.47 3mbm h GLN 103 Cb 1.14 0.08 -0.12 0.00 1.07 0.00 0.00 27.48 29.65 3mbm h GLN 103 CO 0.44 1.21 -0.04 0.00 -2.65 0.00 0.00 178.83 177.79 3mbm s ALA 104 N -4.09 -0.94 1.03 3.38 0.00 -1.26 -4.83 121.76 115.06 3mbm s ALA 104 Ca -0.11 -0.09 -0.17 0.00 0.00 0.00 0.00 51.96 51.59 3mbm s ALA 104 Cb 0.10 0.76 0.24 0.00 0.00 0.00 0.00 23.12 24.21 3mbm s ALA 104 CO 0.90 -0.69 1.31 -1.25 0.00 0.00 0.00 175.76 176.02 3mbm s PRO 105 N -3.82 0.08 -0.02 0.00 0.04 -1.26 -5.06 135.00 124.95 3mbm s PRO 105 Ca 0.05 -0.45 -0.30 0.00 0.04 0.00 0.00 61.00 60.34 3mbm s PRO 105 Cb 0.01 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.70 3mbm s PRO 105 CO -0.09 -2.79 1.65 -1.59 0.04 0.00 0.00 177.00 174.22 3mbm s LYS 106 N -5.88 4.19 -0.02 4.56 0.00 -1.26 -4.91 119.74 116.43 3mbm s LYS 106 Ca 0.76 2.23 0.18 0.00 0.00 0.00 0.00 55.97 59.13 3mbm s LYS 106 Cb -0.03 -3.89 -0.20 0.00 0.00 0.00 0.00 37.83 33.72 3mbm s LYS 106 CO 0.54 -0.81 0.59 1.28 0.00 0.00 0.00 175.35 176.96 3mbm n LEU 107 N 6.71 0.53 -0.33 2.77 4.77 -1.26 -4.57 117.00 125.62 3mbm n LEU 107 Ca 0.17 0.23 0.12 0.00 -0.03 0.00 0.00 56.01 56.50 3mbm n LEU 107 Cb 0.42 0.16 0.25 0.00 -2.33 0.00 0.00 43.42 41.92 3mbm n LEU 107 CO 0.63 0.21 0.80 0.00 -1.33 0.00 0.00 177.39 177.69 3mbm h ALA 108 N 1.41 1.04 0.00 -1.18 0.00 -1.99 0.11 119.26 118.65 3mbm h ALA 108 Ca -0.23 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mbm h ALA 108 Cb 1.65 0.57 0.00 0.00 0.00 0.00 0.00 17.79 20.01 3mbm h ALA 108 CO 0.04 -0.52 0.00 -2.30 0.00 0.00 0.00 179.25 176.47 3mbm n PRO 109 N -5.47 0.14 0.00 0.00 -0.02 -1.26 -2.87 135.00 125.51 3mbm n PRO 109 Ca 0.20 0.49 0.07 0.00 -2.02 0.00 0.00 63.50 62.25 3mbm n PRO 109 Cb 0.67 -1.84 0.03 0.00 -0.02 0.00 0.00 33.50 32.35 3mbm n PRO 109 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3mbm n HIS 110 N -2.11 0.00 -0.05 6.00 8.25 0.36 -4.74 115.22 122.93 3mbm n HIS 110 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.35 3mbm n HIS 110 Cb 0.13 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.18 3mbm n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3mbm h ILE 111 N 2.20 1.25 -0.32 1.59 1.08 -1.43 -1.88 117.51 120.00 3mbm h ILE 111 Ca 0.00 -0.81 -0.02 0.00 -0.39 0.00 0.00 64.86 63.64 3mbm h ILE 111 Cb 0.55 1.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 3mbm h ILE 111 CO 0.00 0.24 0.11 0.44 -0.69 0.00 0.00 178.15 178.25 3mbm h ASP 112 N 0.03 0.40 -0.44 1.72 3.32 -1.85 -0.42 116.42 119.18 3mbm h ASP 112 Ca 0.05 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3mbm h ASP 112 Cb 0.36 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3mbm h ASP 112 CO 0.01 0.39 0.20 0.00 -1.72 0.00 0.00 179.24 178.11 3mbm h ALA 113 N 1.68 0.56 -0.29 3.45 0.00 -1.81 -1.15 119.26 121.70 3mbm h ALA 113 Ca 0.11 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3mbm h ALA 113 Cb 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3mbm h ALA 113 CO -0.01 0.14 0.11 0.52 0.00 0.00 0.00 179.25 180.01 3mbm h MET 114 N 0.56 0.23 -0.78 0.00 2.86 -0.70 -1.18 114.93 115.92 3mbm h MET 114 Ca 0.15 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3mbm h MET 114 Cb 0.14 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 3mbm h MET 114 CO -0.02 0.15 0.49 0.00 1.06 0.00 0.00 176.91 178.60 3mbm h ARG 115 N 0.24 1.05 -0.34 1.72 3.08 -0.95 -1.15 114.38 118.03 3mbm h ARG 115 Ca 0.13 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.10 3mbm h ARG 115 Cb 0.08 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3mbm h ARG 115 CO -0.12 0.72 0.21 0.00 -1.07 0.00 0.00 179.97 179.71 3mbm h ALA 116 N 1.27 0.42 -0.19 0.04 0.00 -0.99 0.70 119.26 120.51 3mbm h ALA 116 Ca 0.28 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3mbm h ALA 116 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3mbm h ALA 116 CO -0.06 -0.14 0.07 -0.91 0.00 0.00 0.00 179.25 178.22 3mbm h ASN 117 N 0.43 0.08 -0.33 0.00 2.35 -0.82 -1.39 115.58 115.90 3mbm h ASN 117 Ca 0.13 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3mbm h ASN 117 Cb -0.02 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3mbm h ASN 117 CO -0.05 0.08 0.00 0.40 -1.65 0.00 0.00 177.43 176.21 3mbm h ILE 118 N 0.16 1.26 -0.62 2.81 2.04 -1.04 -0.75 117.51 121.37 3mbm h ILE 118 Ca 0.08 -0.96 0.06 0.00 1.00 0.00 0.00 64.86 65.04 3mbm h ILE 118 Cb 0.05 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 3mbm h ILE 118 CO -0.08 0.32 0.33 0.00 0.00 0.00 0.00 178.15 178.71 3mbm h ALA 119 N 0.85 0.82 -0.44 1.87 0.00 -0.82 -0.00 119.26 121.54 3mbm h ALA 119 Ca 0.09 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3mbm h ALA 119 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3mbm h ALA 119 CO 0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 179.25 179.15 3mbm h ALA 120 N 1.34 0.61 -0.23 0.00 0.00 -1.02 0.09 119.26 120.06 3mbm h ALA 120 Ca 0.28 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3mbm h ALA 120 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3mbm h ALA 120 CO -0.19 0.49 -0.27 -0.44 0.00 0.00 0.00 179.25 178.84 3mbm h ASP 121 N 0.68 0.44 -0.05 0.00 3.32 -0.75 -2.80 116.42 117.26 3mbm h ASP 121 Ca 0.11 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3mbm h ASP 121 Cb 0.63 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3mbm h ASP 121 CO 0.04 0.70 0.00 0.18 -1.72 0.00 0.00 179.24 178.44 3mbm n LEU 122 N -4.12 1.94 -3.71 1.55 4.77 -0.05 -4.53 117.00 112.85 3mbm n LEU 122 Ca -0.01 -0.68 -0.23 0.00 -0.03 0.00 0.00 56.01 55.07 3mbm n LEU 122 Cb 0.41 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.52 3mbm n LEU 122 CO 0.42 0.34 0.02 -0.67 -1.33 0.00 0.00 177.39 176.17 3mbm n ASP 123 N 0.51 -2.54 -4.48 -1.43 2.03 -0.33 -4.99 116.55 105.32 3mbm n ASP 123 Ca 0.18 -0.76 -0.29 0.00 0.52 0.00 0.00 54.79 54.43 3mbm n ASP 123 Cb 0.42 -4.22 -0.11 0.00 -0.72 0.00 0.00 41.12 36.48 3mbm n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3mbm s LEU 124 N -6.83 2.67 0.63 -2.67 1.43 -0.13 -5.04 118.68 108.73 3mbm s LEU 124 Ca 0.21 -0.62 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 3mbm s LEU 124 Cb -0.10 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 3mbm s LEU 124 CO 0.80 0.16 1.09 -2.16 0.23 0.00 0.00 176.35 176.48 3mbm s PRO 125 N -2.28 3.01 0.45 1.29 0.04 -1.26 -4.46 135.00 131.78 3mbm s PRO 125 Ca 0.19 1.34 0.15 0.00 0.04 0.00 0.00 61.00 62.72 3mbm s PRO 125 Cb -0.10 -1.98 1.07 0.00 0.04 0.00 0.00 34.50 33.52 3mbm s PRO 125 CO 0.10 -1.08 1.99 -0.07 0.04 0.00 0.00 177.00 177.99 3mbm h LEU 126 N 0.25 0.32 0.00 -3.56 3.38 -1.93 -1.91 115.31 111.86 3mbm h LEU 126 Ca -0.47 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3mbm h LEU 126 Cb 1.24 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3mbm h LEU 126 CO 0.55 0.20 0.00 -0.90 0.09 0.00 0.00 178.44 178.38 3mbm n ASP 127 N -4.47 0.00 -0.57 -0.43 5.75 -1.26 -2.09 116.55 113.49 3mbm n ASP 127 Ca 0.09 -0.64 0.05 0.00 -0.01 0.00 0.00 54.79 54.28 3mbm n ASP 127 Cb 0.37 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.60 3mbm n ASP 127 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3mbm n ARG 128 N -0.97 2.88 -4.25 0.11 1.74 -0.72 -4.96 116.66 110.50 3mbm n ARG 128 Ca 0.13 -2.02 -0.22 0.00 -0.77 0.00 0.00 57.85 54.97 3mbm n ARG 128 Cb 0.06 -1.26 -0.17 0.00 -1.02 0.00 0.00 32.46 30.07 3mbm n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mbm s VAL 129 N -1.09 0.76 0.02 1.55 1.01 -0.89 -1.21 120.40 120.55 3mbm s VAL 129 Ca 0.21 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.97 3mbm s VAL 129 Cb 0.12 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 3mbm s VAL 129 CO 0.13 0.28 -0.04 0.21 0.00 0.00 0.00 175.10 175.68 3mbm s ASN 130 N 0.98 0.47 -0.03 3.32 2.47 -0.35 -4.97 114.94 116.83 3mbm s ASN 130 Ca -0.10 -0.33 -0.00 0.00 0.42 0.00 0.00 52.86 52.85 3mbm s ASN 130 Cb -0.14 0.02 0.03 0.00 -1.45 0.00 0.00 41.25 39.71 3mbm s ASN 130 CO 0.00 -0.13 0.02 -0.69 -3.72 0.00 0.00 177.10 172.58 3mbm s VAL 131 N -0.86 0.09 0.11 -5.21 1.01 -1.26 -2.34 120.40 111.94 3mbm s VAL 131 Ca -0.07 0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.20 3mbm s VAL 131 Cb -0.06 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 3mbm s VAL 131 CO -0.00 0.15 -0.23 -0.54 0.00 0.00 0.00 175.10 174.48 3mbm s LYS 132 N 1.40 1.65 -0.05 2.72 1.02 0.02 -4.97 119.74 121.53 3mbm s LYS 132 Ca -0.05 -1.23 0.07 0.00 0.02 0.00 0.00 55.97 54.78 3mbm s LYS 132 Cb -0.13 -2.01 -0.01 0.00 -0.52 0.00 0.00 37.83 35.15 3mbm s LYS 132 CO -0.03 0.48 -0.25 0.00 -0.92 0.00 0.00 175.35 174.63 3mbm s ALA 133 N -1.05 2.16 0.01 5.17 0.00 -1.26 -0.01 121.76 126.78 3mbm s ALA 133 Ca 0.15 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 3mbm s ALA 133 Cb -0.10 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 3mbm s ALA 133 CO 0.07 0.45 -0.01 0.15 0.00 0.00 0.00 175.76 176.42 3mbm s LYS 134 N -0.30 0.15 0.74 0.00 -0.14 -0.00 -4.95 119.74 115.24 3mbm s LYS 134 Ca 0.01 -0.28 -0.06 0.00 -1.36 0.00 0.00 55.97 54.28 3mbm s LYS 134 Cb -0.13 0.05 0.11 0.00 -1.68 0.00 0.00 37.83 36.18 3mbm s LYS 134 CO 0.02 -0.02 1.04 0.95 -0.76 0.00 0.00 175.35 176.58 3mbm s THR 135 N -0.68 2.22 -0.21 2.17 -4.23 -1.26 -1.33 115.64 112.32 3mbm s THR 135 Ca -0.07 -0.37 0.15 0.00 -1.18 0.00 0.00 61.69 60.22 3mbm s THR 135 Cb -0.05 -2.85 0.68 0.00 1.34 0.00 0.00 72.50 71.62 3mbm s THR 135 CO -0.00 0.00 1.59 -3.20 -0.54 0.00 0.00 174.62 172.47 3mbm n ASN 136 N -2.99 4.84 -4.10 3.99 5.15 -1.26 -4.82 115.26 116.06 3mbm n ASN 136 Ca 0.12 -2.98 -0.34 0.00 -0.60 0.00 0.00 54.58 50.78 3mbm n ASN 136 Cb 0.60 -0.62 -0.01 0.00 -0.53 0.00 0.00 39.78 39.22 3mbm n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3mbm n GLU 137 N 0.06 -3.94 -1.29 1.20 -0.58 -1.26 -1.24 120.64 113.59 3mbm n GLU 137 Ca 0.25 0.45 -0.10 0.00 -0.42 0.00 0.00 57.16 57.34 3mbm n GLU 137 Cb 1.05 -5.19 -0.04 0.00 -0.57 0.00 0.00 31.44 26.70 3mbm n GLU 137 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3mbm n LYS 138 N -4.48 -1.33 -3.61 3.49 3.00 -1.26 -4.98 118.16 108.98 3mbm n LYS 138 Ca 0.03 0.81 -0.37 0.00 -0.00 0.00 0.00 58.31 58.78 3mbm n LYS 138 Cb 0.52 -5.01 -0.06 0.00 0.00 0.00 0.00 35.03 30.48 3mbm n LYS 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3mbm s LEU 139 N -2.25 4.43 0.00 3.14 1.43 -0.37 -4.56 118.68 120.50 3mbm s LEU 139 Ca 0.00 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 3mbm s LEU 139 Cb 0.00 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.66 3mbm s LEU 139 CO 0.00 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.50 3mbm n GLY 140 N 1.64 -0.33 0.32 -3.19 0.00 -1.26 -0.83 105.19 101.54 3mbm n GLY 140 Ca -0.14 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 44.96 3mbm n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3mbm h TYR 141 N 0.00 0.66 -0.53 1.61 -0.00 -1.97 0.28 116.97 117.02 3mbm h TYR 141 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 58.73 58.63 3mbm h TYR 141 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 36.73 36.49 3mbm h TYR 141 CO 0.00 0.41 -0.10 -0.07 -0.00 0.00 0.00 178.16 178.40 3mbm h LEU 142 N 0.70 1.01 -1.54 0.10 3.38 -1.81 0.72 115.31 117.87 3mbm h LEU 142 Ca 0.20 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3mbm h LEU 142 Cb -0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3mbm h LEU 142 CO -0.05 1.12 -0.17 1.23 0.09 0.00 0.00 178.44 180.67 3mbm h GLY 143 N 0.88 0.09 -0.48 0.83 0.00 0.60 -1.82 103.07 103.17 3mbm h GLY 143 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3mbm h GLY 143 CO 0.05 0.05 0.00 0.54 0.00 0.00 0.00 176.54 177.18 3mbm n ARG 144 N -4.30 1.63 -2.82 4.80 1.74 -0.07 -4.48 116.66 113.16 3mbm n ARG 144 Ca -0.02 -0.93 -0.14 0.00 -0.77 0.00 0.00 57.85 55.99 3mbm n ARG 144 Cb 0.26 -1.45 0.03 0.00 -1.02 0.00 0.00 32.46 30.28 3mbm n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mbm n GLY 145 N 1.14 -0.07 0.10 -0.13 0.00 -0.69 -4.94 105.19 100.60 3mbm n GLY 145 Ca 0.18 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3mbm n GLY 145 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mbm n GLU 146 N -2.93 0.57 -3.84 1.61 1.02 0.22 -4.76 120.64 112.54 3mbm n GLU 146 Ca -0.06 0.10 -0.10 0.00 -0.02 0.00 0.00 57.16 57.08 3mbm n GLU 146 Cb 0.57 -1.79 0.02 0.00 -0.02 0.00 0.00 31.44 30.22 3mbm n GLU 146 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3mbm s GLY 147 N -4.29 0.57 -0.02 0.62 0.00 -1.24 -1.13 107.32 101.82 3mbm s GLY 147 Ca -0.00 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.83 3mbm s GLY 147 CO 0.79 -0.42 -0.05 -0.42 0.00 0.00 0.00 173.10 173.00 3mbm s ILE 148 N -2.20 0.45 0.10 0.90 1.01 -0.54 -4.59 121.20 116.33 3mbm s ILE 148 Ca 0.18 -0.16 0.06 0.00 0.00 0.00 0.00 60.65 60.72 3mbm s ILE 148 Cb -0.04 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 3mbm s ILE 148 CO 0.13 0.17 -0.03 -0.70 0.00 0.00 0.00 174.94 174.51 3mbm s GLU 149 N 0.39 2.42 0.05 2.79 2.12 -0.80 -2.30 118.70 123.37 3mbm s GLU 149 Ca -0.05 -0.91 0.03 0.00 0.36 0.00 0.00 54.97 54.41 3mbm s GLU 149 Cb -0.08 -2.46 -0.02 0.00 0.26 0.00 0.00 34.13 31.82 3mbm s GLU 149 CO -0.00 0.53 -0.10 0.00 -0.54 0.00 0.00 175.26 175.15 3mbm s ALA 150 N -1.31 0.78 0.04 6.30 0.00 -0.04 -0.48 121.76 127.05 3mbm s ALA 150 Ca 0.25 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.47 3mbm s ALA 150 Cb -0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 3mbm s ALA 150 CO 0.17 0.06 -0.17 -0.65 0.00 0.00 0.00 175.76 175.17 3mbm s GLN 151 N -1.48 1.15 0.03 0.00 -0.21 -0.06 -1.06 119.66 118.03 3mbm s GLN 151 Ca -0.06 -0.81 -0.07 0.00 0.02 0.00 0.00 55.36 54.44 3mbm s GLN 151 Cb -0.09 -1.20 -0.00 0.00 1.00 0.00 0.00 33.01 32.71 3mbm s GLN 151 CO 0.01 0.30 0.14 0.00 -2.12 0.00 0.00 175.29 173.62 3mbm s ALA 152 N -0.78 -0.21 0.01 6.09 0.00 -0.19 -0.93 121.76 125.74 3mbm s ALA 152 Ca 0.04 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.66 3mbm s ALA 152 Cb -0.08 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 3mbm s ALA 152 CO 0.01 -0.31 -0.12 0.00 0.00 0.00 0.00 175.76 175.34 3mbm s ALA 153 N -2.38 1.03 -0.00 0.00 0.00 0.34 -0.64 121.76 120.10 3mbm s ALA 153 Ca -0.07 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.31 3mbm s ALA 153 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 3mbm s ALA 153 CO -0.03 0.23 -0.06 0.00 0.00 0.00 0.00 175.76 175.90 3mbm s ALA 154 N -0.46 0.49 -0.13 0.00 0.00 -0.41 -1.27 121.76 119.98 3mbm s ALA 154 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 3mbm s ALA 154 Cb -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3mbm s ALA 154 CO 0.00 0.11 -0.12 -1.17 0.00 0.00 0.00 175.76 174.59 3mbm s LEU 155 N -0.21 2.80 0.26 0.00 2.96 -0.53 -0.53 118.68 123.42 3mbm s LEU 155 Ca 0.02 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 3mbm s LEU 155 Cb -0.03 -1.63 -0.06 0.00 0.50 0.00 0.00 46.19 44.97 3mbm s LEU 155 CO -0.00 0.17 -0.01 0.68 -1.32 0.00 0.00 176.35 175.87 3mbm s VAL 156 N 0.32 1.20 0.01 1.68 -7.23 -0.61 0.22 120.40 115.99 3mbm s VAL 156 Ca -0.10 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.05 3mbm s VAL 156 Cb -0.16 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 3mbm s VAL 156 CO 0.05 -0.26 -0.07 0.54 -0.31 0.00 0.00 175.10 175.05 3mbm s VAL 157 N -3.30 0.57 -2.54 1.32 0.11 0.10 -1.24 120.40 115.41 3mbm s VAL 157 Ca 0.30 -0.47 0.28 0.00 -2.93 0.00 0.00 61.98 59.16 3mbm s VAL 157 Cb 0.06 -0.51 0.52 0.00 -1.53 0.00 0.00 36.38 34.91 3mbm s VAL 157 CO 0.11 0.05 1.70 -1.14 -3.33 0.00 0.00 175.10 172.49