#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbq s PRO 9 N 0.00 1.21 -0.11 0.00 0.04 -1.26 -5.04 135.00 129.84 3mbq s PRO 9 Ca 0.00 0.73 0.01 0.00 0.04 0.00 0.00 61.00 61.78 3mbq s PRO 9 Cb 0.00 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 3mbq s PRO 9 CO 0.00 -2.25 -0.13 0.99 0.04 0.00 0.00 177.00 175.65 3mbq s THR 10 N -2.98 3.05 -0.26 1.26 2.01 -1.26 -5.09 115.64 112.36 3mbq s THR 10 Ca 0.63 -0.68 -0.10 0.00 0.31 0.00 0.00 61.69 61.86 3mbq s THR 10 Cb -0.17 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 3mbq s THR 10 CO 0.57 0.54 0.16 -0.22 -0.69 0.00 0.00 174.62 174.97 3mbq s LEU 11 N 0.12 3.95 0.19 4.42 2.96 -1.26 -4.39 118.68 124.66 3mbq s LEU 11 Ca -0.06 -0.01 -0.25 0.00 -0.22 0.00 0.00 54.13 53.59 3mbq s LEU 11 Cb -0.15 -2.08 -0.08 0.00 0.50 0.00 0.00 46.19 44.38 3mbq s LEU 11 CO 0.05 -0.01 0.79 -0.83 -1.32 0.00 0.00 176.35 175.02 3mbq s GLY 12 N 1.52 2.88 -0.08 7.98 0.00 -0.51 -4.95 107.32 114.16 3mbq s GLY 12 Ca 0.07 0.36 -0.00 0.00 0.00 0.00 0.00 44.72 45.14 3mbq s GLY 12 CO 0.08 0.84 -0.04 -0.42 0.00 0.00 0.00 173.10 173.56 3mbq s ILE 13 N -1.23 0.68 -0.18 0.90 1.01 -1.26 -0.57 121.20 120.53 3mbq s ILE 13 Ca 0.38 -0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.86 3mbq s ILE 13 Cb -0.22 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 3mbq s ILE 13 CO 0.26 0.30 0.08 -0.63 0.00 0.00 0.00 174.94 174.94 3mbq s ILE 14 N 1.67 4.93 -0.28 2.92 1.01 0.16 -4.96 121.20 126.65 3mbq s ILE 14 Ca 0.02 0.01 -0.15 0.00 0.00 0.00 0.00 60.65 60.53 3mbq s ILE 14 Cb -0.13 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 3mbq s ILE 14 CO -0.05 0.46 0.40 -0.60 0.00 0.00 0.00 174.94 175.15 3mbq s ARG 15 N 0.33 3.97 0.78 2.79 3.52 -1.26 -0.85 118.95 128.23 3mbq s ARG 15 Ca 0.04 0.04 -0.11 0.00 -0.13 0.00 0.00 55.73 55.57 3mbq s ARG 15 Cb -0.12 -3.67 0.06 0.00 -1.56 0.00 0.00 34.95 29.66 3mbq s ARG 15 CO -0.00 -0.32 1.14 -0.51 -0.81 0.00 0.00 175.30 174.80 3mbq s LEU 16 N 2.12 2.62 0.25 -0.88 1.43 0.51 -4.94 118.68 119.79 3mbq s LEU 16 Ca 0.16 0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 54.03 3mbq s LEU 16 Cb -0.16 -3.38 0.42 0.00 0.03 0.00 0.00 46.19 43.11 3mbq s LEU 16 CO 0.10 -1.76 1.80 -0.08 0.23 0.00 0.00 176.35 176.65 3mbq h GLU 17 N -0.92 0.74 0.00 1.70 4.57 -1.98 -1.03 114.58 117.66 3mbq h GLU 17 Ca -0.46 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3mbq h GLU 17 Cb 1.31 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3mbq h GLU 17 CO 0.65 0.49 0.00 -2.39 -1.18 0.00 0.00 179.01 176.58 3mbq n HIS 18 N -4.76 0.10 1.20 0.92 1.44 -1.26 -1.90 115.22 110.96 3mbq n HIS 18 Ca 0.14 0.04 0.13 0.00 -2.01 0.00 0.00 57.72 56.02 3mbq n HIS 18 Cb 0.30 -0.56 0.29 0.00 0.12 0.00 0.00 29.99 30.14 3mbq n HIS 18 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3mbq n ALA 19 N -1.53 2.51 -1.80 1.59 0.00 -0.39 -4.83 120.51 116.05 3mbq n ALA 19 Ca 0.04 -0.59 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 3mbq n ALA 19 Cb 0.21 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 3mbq n ALA 19 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3mbq s LYS 20 N -1.98 4.17 0.00 0.00 -0.14 -0.80 -1.97 119.74 119.01 3mbq s LYS 20 Ca 0.33 2.49 0.00 0.00 -1.36 0.00 0.00 55.97 57.42 3mbq s LYS 20 Cb 0.20 -3.05 0.00 0.00 -1.68 0.00 0.00 37.83 33.31 3mbq s LYS 20 CO 0.31 -0.56 0.00 0.41 -0.76 0.00 0.00 175.35 174.76 3mbq n GLY 21 N 2.09 3.09 3.88 -3.33 0.00 -1.26 -5.05 105.19 104.61 3mbq n GLY 21 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3mbq n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mbq s LEU 22 N 0.00 4.30 0.26 0.99 1.43 -0.83 -5.07 118.68 119.75 3mbq s LEU 22 Ca 0.00 0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 3mbq s LEU 22 Cb 0.00 -3.18 -0.10 0.00 0.03 0.00 0.00 46.19 42.94 3mbq s LEU 22 CO 0.00 0.10 1.43 -1.81 0.23 0.00 0.00 176.35 176.30 3mbq s ASP 23 N -2.14 6.66 0.83 2.29 1.01 -1.26 -5.02 116.67 119.05 3mbq s ASP 23 Ca 0.38 2.67 -0.10 0.00 0.71 0.00 0.00 52.55 56.20 3mbq s ASP 23 Cb -0.13 -2.63 0.09 0.00 1.01 0.00 0.00 42.92 41.27 3mbq s ASP 23 CO 0.21 -0.69 1.11 -0.76 0.21 0.00 0.00 175.17 175.25 3mbq s LEU 24 N -0.50 2.87 0.34 1.23 1.43 -1.26 -4.92 118.68 117.87 3mbq s LEU 24 Ca 0.58 1.91 -0.28 0.00 -1.03 0.00 0.00 54.13 55.31 3mbq s LEU 24 Cb -0.42 -4.47 -0.12 0.00 0.03 0.00 0.00 46.19 41.21 3mbq s LEU 24 CO 0.44 -2.47 1.32 -2.65 0.23 0.00 0.00 176.35 173.23 3mbq n PRO 25 N -3.81 2.19 -3.71 1.29 -0.02 -1.26 -5.01 135.00 124.67 3mbq n PRO 25 Ca 0.10 0.77 -0.14 0.00 -2.02 0.00 0.00 63.50 62.21 3mbq n PRO 25 Cb 0.53 -2.37 -0.08 0.00 -0.02 0.00 0.00 33.50 31.56 3mbq n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mbq s ALA 26 N -1.04 -0.95 0.14 3.55 0.00 -1.26 -5.02 121.76 117.18 3mbq s ALA 26 Ca 0.56 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 3mbq s ALA 26 Cb -0.56 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 22.62 3mbq s ALA 26 CO 0.62 -0.32 0.95 0.71 0.00 0.00 0.00 175.76 177.72 3mbq s TYR 27 N -1.59 3.86 0.08 0.00 2.02 -1.26 -4.14 117.35 116.33 3mbq s TYR 27 Ca -0.11 1.83 -0.17 0.00 -0.37 0.00 0.00 57.07 58.25 3mbq s TYR 27 Cb -0.03 -3.03 -0.09 0.00 -0.40 0.00 0.00 41.96 38.40 3mbq s TYR 27 CO 0.03 0.28 1.44 1.49 -1.57 0.00 0.00 175.55 177.22 3mbq h GLU 28 N 5.19 0.54 -4.55 -0.62 4.81 -1.95 -3.46 114.58 114.55 3mbq h GLU 28 Ca -0.43 -0.24 -0.25 0.00 -0.13 0.00 0.00 59.36 58.31 3mbq h GLU 28 Cb 1.21 -0.01 -0.14 0.00 0.63 0.00 0.00 28.75 30.43 3mbq h GLU 28 CO 0.71 0.80 -0.57 0.95 -0.73 0.00 0.00 179.01 180.16 3mbq s THR 29 N -4.58 0.00 0.15 0.32 -4.23 -1.26 -5.02 115.64 101.01 3mbq s THR 29 Ca -0.13 -1.96 0.34 0.00 -1.18 0.00 0.00 61.69 58.76 3mbq s THR 29 Cb 0.08 -2.48 0.38 0.00 1.34 0.00 0.00 72.50 71.81 3mbq s THR 29 CO 0.78 0.00 2.03 0.00 -0.54 0.00 0.00 174.62 176.89 3mbq h ALA 30 N 2.55 1.00 -0.00 3.99 0.00 -2.04 -1.93 119.26 122.83 3mbq h ALA 30 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3mbq h ALA 30 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3mbq h ALA 30 CO 0.50 0.00 -0.66 0.41 0.00 0.00 0.00 179.25 179.50 3mbq n GLY 31 N -0.34 -0.92 3.75 0.00 0.00 -1.26 -4.97 105.19 101.46 3mbq n GLY 31 Ca -0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 3mbq n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mbq s SER 32 N -2.88 6.35 0.08 1.61 0.01 -0.73 -4.92 113.70 113.23 3mbq s SER 32 Ca 0.12 2.98 0.15 0.00 1.31 0.00 0.00 55.95 60.52 3mbq s SER 32 Cb 0.17 -2.64 -0.13 0.00 0.21 0.00 0.00 66.02 63.63 3mbq s SER 32 CO 0.73 -0.92 0.92 0.00 0.41 0.00 0.00 173.24 174.38 3mbq h ALA 33 N 4.57 0.66 -2.81 1.44 0.00 -1.93 -3.48 119.26 117.71 3mbq h ALA 33 Ca -0.48 -0.90 -0.35 0.00 0.00 0.00 0.00 54.91 53.18 3mbq h ALA 33 Cb 1.22 0.23 -0.18 0.00 0.00 0.00 0.00 17.79 19.07 3mbq h ALA 33 CO 0.77 1.01 -0.74 0.20 0.00 0.00 0.00 179.25 180.50 3mbq s GLY 34 N -4.79 0.91 -0.01 0.00 0.00 -1.26 -4.42 107.32 97.74 3mbq s GLY 34 Ca -0.02 -1.20 0.08 0.00 0.00 0.00 0.00 44.72 43.58 3mbq s GLY 34 CO 0.80 -1.27 -0.25 -3.16 0.00 0.00 0.00 173.10 169.22 3mbq s MET 35 N -2.70 2.10 0.30 2.90 0.23 -0.33 -4.64 119.30 117.16 3mbq s MET 35 Ca 0.06 -0.94 -0.28 0.00 -1.03 0.00 0.00 55.69 53.50 3mbq s MET 35 Cb -0.04 -2.06 -0.09 0.00 -1.53 0.00 0.00 34.83 31.11 3mbq s MET 35 CO 0.01 0.56 1.02 -0.51 -2.03 0.00 0.00 175.02 174.07 3mbq s ASP 36 N -0.71 7.30 -0.06 -1.18 1.01 -1.26 -0.17 116.67 121.61 3mbq s ASP 36 Ca 0.10 2.08 -0.02 0.00 0.71 0.00 0.00 52.55 55.43 3mbq s ASP 36 Cb -0.10 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 3mbq s ASP 36 CO -0.00 -0.11 0.03 -0.76 0.21 0.00 0.00 175.17 174.54 3mbq s LEU 37 N -1.67 3.72 0.03 1.23 1.43 0.23 -4.47 118.68 119.18 3mbq s LEU 37 Ca 0.47 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.76 3mbq s LEU 37 Cb -0.27 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3mbq s LEU 37 CO 0.34 0.34 -0.05 -0.13 0.23 0.00 0.00 176.35 177.08 3mbq s ARG 38 N -1.18 2.53 0.06 1.70 0.52 -1.26 -0.70 118.95 120.62 3mbq s ARG 38 Ca 0.16 -0.76 -0.31 0.00 -0.52 0.00 0.00 55.73 54.31 3mbq s ARG 38 Cb -0.12 -2.50 -0.06 0.00 0.52 0.00 0.00 34.95 32.79 3mbq s ARG 38 CO 0.06 0.58 1.22 0.00 0.02 0.00 0.00 175.30 177.18 3mbq s ALA 39 N -1.08 3.41 -0.57 2.13 0.00 -0.31 -4.44 121.76 120.91 3mbq s ALA 39 Ca 0.19 0.87 0.01 0.00 0.00 0.00 0.00 51.96 53.03 3mbq s ALA 39 Cb -0.11 -3.45 0.44 0.00 0.00 0.00 0.00 23.12 20.00 3mbq s ALA 39 CO 0.10 -0.46 1.76 0.00 0.00 0.00 0.00 175.76 177.17 3mbq n ALA 40 N 3.96 5.94 -1.73 0.00 0.00 0.52 -0.78 120.51 128.40 3mbq n ALA 40 Ca 0.09 -3.64 -0.35 0.00 0.00 0.00 0.00 53.44 49.54 3mbq n ALA 40 Cb 0.46 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.59 3mbq n ALA 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3mbq s VAL 41 N -4.81 3.14 0.49 0.00 -7.23 -1.26 -4.80 120.40 105.93 3mbq s VAL 41 Ca 0.59 0.68 -0.22 0.00 -1.81 0.00 0.00 61.98 61.22 3mbq s VAL 41 Cb 0.47 -3.25 -0.08 0.00 0.56 0.00 0.00 36.38 34.08 3mbq s VAL 41 CO -0.03 -0.18 1.12 0.00 -0.31 0.00 0.00 175.10 175.70 3mbq n ALA 42 N -1.47 0.71 -1.76 1.32 0.00 -1.26 -4.43 120.51 113.61 3mbq n ALA 42 Ca 0.12 0.16 -0.35 0.00 0.00 0.00 0.00 53.44 53.36 3mbq n ALA 42 Cb 0.51 -2.18 0.01 0.00 0.00 0.00 0.00 19.45 17.79 3mbq n ALA 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3mbq s GLU 43 N -2.42 3.22 -1.26 0.00 2.56 -1.26 -1.83 118.70 117.71 3mbq s GLU 43 Ca 0.68 1.68 0.00 0.00 0.00 0.00 0.00 54.97 57.33 3mbq s GLU 43 Cb -0.48 -1.98 0.00 0.00 2.00 0.00 0.00 34.13 33.67 3mbq s GLU 43 CO 0.53 -0.97 0.00 -0.25 -0.56 0.00 0.00 175.26 174.01 3mbq n ASP 44 N -1.41 -4.42 -4.38 -1.70 8.00 -1.26 -4.97 116.55 106.41 3mbq n ASP 44 Ca 0.12 0.15 -0.22 0.00 0.71 0.00 0.00 54.79 55.55 3mbq n ASP 44 Cb 0.50 -3.74 -0.11 0.00 -0.02 0.00 0.00 41.12 37.76 3mbq n ASP 44 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3mbq s ARG 45 N -4.96 1.42 -0.01 -1.24 3.00 -0.76 -5.17 118.95 111.22 3mbq s ARG 45 Ca 0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 55.73 54.14 3mbq s ARG 45 Cb 0.00 -1.41 -0.00 0.00 0.00 0.00 0.00 34.95 33.54 3mbq s ARG 45 CO 0.00 0.27 0.03 -0.65 0.00 0.00 0.00 175.30 174.95 3mbq s GLN 46 N -3.25 0.12 -0.32 3.54 -0.21 -1.26 -4.54 119.66 113.74 3mbq s GLN 46 Ca 0.22 -0.09 -0.12 0.00 0.02 0.00 0.00 55.36 55.39 3mbq s GLN 46 Cb -0.04 0.05 -0.03 0.00 1.00 0.00 0.00 33.01 33.99 3mbq s GLN 46 CO 0.09 -0.02 0.23 0.42 -2.12 0.00 0.00 175.29 173.89 3mbq s ILE 47 N -0.33 5.29 -0.42 1.08 1.01 -0.77 -4.96 121.20 122.10 3mbq s ILE 47 Ca -0.04 -0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.37 3mbq s ILE 47 Cb -0.02 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.81 3mbq s ILE 47 CO -0.00 0.08 0.54 -0.69 0.00 0.00 0.00 174.94 174.87 3mbq s VAL 48 N 1.76 4.96 -0.37 2.92 1.01 -1.26 0.04 120.40 129.45 3mbq s VAL 48 Ca 0.07 -0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 3mbq s VAL 48 Cb -0.17 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3mbq s VAL 48 CO 0.11 -0.48 0.39 -0.22 0.00 0.00 0.00 175.10 174.90 3mbq s LEU 49 N 2.47 4.61 0.65 3.92 2.96 0.34 -4.94 118.68 128.69 3mbq s LEU 49 Ca 0.18 -0.40 -0.12 0.00 -0.22 0.00 0.00 54.13 53.57 3mbq s LEU 49 Cb -0.16 -2.36 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 3mbq s LEU 49 CO 0.16 -0.43 1.04 -0.76 -1.32 0.00 0.00 176.35 175.04 3mbq s LEU 50 N 2.06 3.24 0.24 -0.68 1.43 -1.26 -1.31 118.68 122.40 3mbq s LEU 50 Ca 0.12 1.57 -0.31 0.00 -1.03 0.00 0.00 54.13 54.48 3mbq s LEU 50 Cb -0.17 -4.49 -0.13 0.00 0.03 0.00 0.00 46.19 41.43 3mbq s LEU 50 CO 0.12 -1.17 1.40 -2.65 0.23 0.00 0.00 176.35 174.29 3mbq n PRO 51 N -2.78 2.03 0.00 1.29 -0.02 -1.26 -1.08 135.00 133.18 3mbq n PRO 51 Ca 0.07 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3mbq n PRO 51 Cb 0.54 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3mbq n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mbq n GLY 52 N 2.12 2.85 3.90 -1.23 0.00 0.96 -5.03 105.19 108.77 3mbq n GLY 52 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3mbq n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mbq s ARG 53 N -0.07 3.60 0.16 1.61 1.81 -0.24 -4.78 118.95 121.04 3mbq s ARG 53 Ca 0.00 0.14 0.09 0.00 -1.72 0.00 0.00 55.73 54.24 3mbq s ARG 53 Cb 0.00 -2.47 -0.04 0.00 -0.45 0.00 0.00 34.95 31.99 3mbq s ARG 53 CO 0.00 -0.04 -0.19 -0.98 -0.68 0.00 0.00 175.30 173.41 3mbq s ARG 54 N -4.28 1.28 -0.04 3.54 1.70 -1.26 -1.31 118.95 118.58 3mbq s ARG 54 Ca 0.46 -1.39 -0.24 0.00 -0.47 0.00 0.00 55.73 54.09 3mbq s ARG 54 Cb -0.10 -1.38 0.05 0.00 -0.57 0.00 0.00 34.95 32.95 3mbq s ARG 54 CO 0.38 0.29 0.53 -0.08 -1.08 0.00 0.00 175.30 175.33 3mbq s THR 55 N -1.93 0.02 -0.37 4.99 -1.32 -0.12 -5.00 115.64 111.92 3mbq s THR 55 Ca 0.15 -0.19 -0.14 0.00 -1.21 0.00 0.00 61.69 60.30 3mbq s THR 55 Cb -0.06 -0.84 -0.00 0.00 -1.51 0.00 0.00 72.50 70.09 3mbq s THR 55 CO 0.07 -0.10 0.26 -0.22 -2.21 0.00 0.00 174.62 172.42 3mbq s LEU 56 N -1.18 4.75 -0.23 9.08 2.96 -1.26 -0.86 118.68 131.94 3mbq s LEU 56 Ca -0.12 -0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 53.09 3mbq s LEU 56 Cb -0.02 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 3mbq s LEU 56 CO 0.07 -0.32 0.11 -0.69 -1.32 0.00 0.00 176.35 174.20 3mbq s VAL 57 N 1.71 4.88 0.32 1.68 1.01 0.21 -4.86 120.40 125.34 3mbq s VAL 57 Ca 0.06 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 3mbq s VAL 57 Cb -0.18 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.84 3mbq s VAL 57 CO 0.10 0.37 1.12 -2.16 0.00 0.00 0.00 175.10 174.53 3mbq s PRO 58 N 1.10 4.46 -0.02 2.72 0.04 -1.26 -0.64 135.00 141.39 3mbq s PRO 58 Ca 0.06 1.81 0.21 0.00 0.04 0.00 0.00 61.00 63.12 3mbq s PRO 58 Cb -0.14 -3.01 -0.30 0.00 0.04 0.00 0.00 34.50 31.09 3mbq s PRO 58 CO 0.04 0.04 0.55 0.25 0.04 0.00 0.00 177.00 177.92 3mbq n THR 59 N 0.81 0.00 -1.40 1.26 -2.24 -0.86 -0.36 114.28 111.50 3mbq n THR 59 Ca 0.01 -0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 61.30 3mbq n THR 59 Cb 0.45 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.89 3mbq n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mbq n GLY 60 N 1.36 1.15 3.26 3.38 0.00 -1.26 -4.41 105.19 108.67 3mbq n GLY 60 Ca -0.02 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 3mbq n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mbq s LEU 61 N -2.62 2.04 -0.15 0.99 1.43 -1.26 -0.36 118.68 118.75 3mbq s LEU 61 Ca 0.00 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3mbq s LEU 61 Cb 0.00 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 3mbq s LEU 61 CO 0.00 0.28 -0.06 -0.63 0.23 0.00 0.00 176.35 176.17 3mbq s ILE 62 N -0.52 3.61 -0.16 -0.59 1.01 -0.03 -0.33 121.20 124.18 3mbq s ILE 62 Ca 0.08 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.18 3mbq s ILE 62 Cb -0.09 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 3mbq s ILE 62 CO -0.01 0.49 0.17 -0.76 0.00 0.00 0.00 174.94 174.84 3mbq s LEU 63 N 0.47 4.28 -0.56 2.97 1.43 -1.26 -0.67 118.68 125.35 3mbq s LEU 63 Ca -0.05 0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 53.36 3mbq s LEU 63 Cb -0.15 -2.15 0.14 0.00 0.03 0.00 0.00 46.19 44.07 3mbq s LEU 63 CO 0.03 0.24 0.40 -1.61 0.23 0.00 0.00 176.35 175.65 3mbq s GLU 64 N -0.10 2.55 -0.11 1.70 2.02 0.26 -4.65 118.70 120.37 3mbq s GLU 64 Ca 0.12 -2.14 -0.19 0.00 0.02 0.00 0.00 54.97 52.78 3mbq s GLU 64 Cb -0.12 -3.85 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 3mbq s GLU 64 CO 0.01 -1.18 0.52 0.42 0.02 0.00 0.00 175.26 175.06 3mbq s ILE 65 N 0.66 5.16 0.63 -1.63 1.01 -1.26 -1.43 121.20 124.33 3mbq s ILE 65 Ca 0.12 1.05 -0.14 0.00 0.00 0.00 0.00 60.65 61.68 3mbq s ILE 65 Cb -0.21 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 3mbq s ILE 65 CO -0.03 0.30 1.06 -2.16 0.00 0.00 0.00 174.94 174.11 3mbq s PRO 66 N 0.71 3.17 0.41 2.79 0.04 -1.26 -4.42 135.00 136.44 3mbq s PRO 66 Ca 0.28 1.15 -0.26 0.00 0.04 0.00 0.00 61.00 62.21 3mbq s PRO 66 Cb -0.16 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 3mbq s PRO 66 CO 0.12 -0.93 1.37 -1.14 0.04 0.00 0.00 177.00 176.46 3mbq s GLN 67 N -4.33 3.91 0.00 4.56 0.74 -1.26 -2.67 119.66 120.61 3mbq s GLN 67 Ca 0.62 2.30 0.00 0.00 0.05 0.00 0.00 55.36 58.33 3mbq s GLN 67 Cb -0.16 -2.76 0.00 0.00 1.10 0.00 0.00 33.01 31.19 3mbq s GLN 67 CO 0.42 -0.59 0.00 0.41 -0.55 0.00 0.00 175.29 174.98 3mbq n GLY 68 N 0.62 0.70 3.13 2.59 0.00 -1.26 -5.06 105.19 105.91 3mbq n GLY 68 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 3mbq n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mbq s TYR 69 N -2.38 0.79 0.13 1.61 2.02 -1.09 -1.00 117.35 117.42 3mbq s TYR 69 Ca 0.00 -0.82 0.02 0.00 -0.37 0.00 0.00 57.07 55.90 3mbq s TYR 69 Cb 0.00 -0.47 -0.04 0.00 -0.40 0.00 0.00 41.96 41.05 3mbq s TYR 69 CO 0.00 -0.16 -0.03 -1.83 -1.57 0.00 0.00 175.55 171.96 3mbq s GLU 70 N -3.22 0.95 -0.08 -0.62 -1.05 0.14 -4.13 118.70 110.69 3mbq s GLU 70 Ca 0.05 -1.42 0.03 0.00 -0.15 0.00 0.00 54.97 53.48 3mbq s GLU 70 Cb 0.01 -0.19 -0.02 0.00 -0.44 0.00 0.00 34.13 33.49 3mbq s GLU 70 CO -0.04 -0.08 -0.16 0.08 0.95 0.00 0.00 175.26 176.01 3mbq s VAL 71 N -3.67 2.83 -0.19 1.83 1.01 -0.54 -1.81 120.40 119.86 3mbq s VAL 71 Ca 0.17 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 3mbq s VAL 71 Cb 0.06 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3mbq s VAL 71 CO -0.01 0.56 0.04 -1.10 0.00 0.00 0.00 175.10 174.59 3mbq s GLN 72 N -0.18 3.86 -0.33 2.72 -0.21 0.84 -0.72 119.66 125.64 3mbq s GLN 72 Ca -0.01 -0.40 -0.17 0.00 0.02 0.00 0.00 55.36 54.80 3mbq s GLN 72 Cb -0.13 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.69 3mbq s GLN 72 CO 0.03 0.19 0.44 0.42 -2.12 0.00 0.00 175.29 174.25 3mbq s ILE 73 N 0.57 5.10 0.27 1.08 -1.09 0.23 -0.82 121.20 126.55 3mbq s ILE 73 Ca 0.02 0.33 0.12 0.00 -2.23 0.00 0.00 60.65 58.88 3mbq s ILE 73 Cb -0.13 -3.86 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 3mbq s ILE 73 CO 0.02 -0.08 -0.20 -0.13 -1.23 0.00 0.00 174.94 173.31 3mbq s ARG 74 N 2.21 1.64 0.55 2.79 0.52 0.01 -0.97 118.95 125.70 3mbq s ARG 74 Ca 0.16 -1.74 -0.19 0.00 -0.52 0.00 0.00 55.73 53.44 3mbq s ARG 74 Cb -0.16 -1.71 -0.05 0.00 0.52 0.00 0.00 34.95 33.54 3mbq s ARG 74 CO 0.12 0.32 1.13 -2.14 0.02 0.00 0.00 175.30 174.75 3mbq s PRO 75 N -3.48 3.30 0.11 3.54 0.02 -1.26 -1.06 135.00 136.17 3mbq s PRO 75 Ca 0.29 1.61 -0.30 0.00 0.02 0.00 0.00 61.00 62.61 3mbq s PRO 75 Cb -0.05 -2.00 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 3mbq s PRO 75 CO 0.14 -0.89 1.03 1.03 -0.33 0.00 0.00 177.00 177.98 3mbq s ARG 76 N -3.34 4.62 0.17 5.54 0.52 -1.26 -4.63 118.95 120.57 3mbq s ARG 76 Ca 0.73 1.56 -0.09 0.00 -0.52 0.00 0.00 55.73 57.41 3mbq s ARG 76 Cb -0.24 -3.35 0.05 0.00 0.52 0.00 0.00 34.95 31.92 3mbq s ARG 76 CO 0.28 0.09 1.57 1.03 0.02 0.00 0.00 175.30 178.30 3mbq h SER 77 N 5.72 0.99 -0.50 0.23 0.87 -1.95 -2.68 113.55 116.22 3mbq h SER 77 Ca -0.43 -0.37 -0.05 0.00 -1.23 0.00 0.00 61.79 59.72 3mbq h SER 77 Cb 1.21 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 3mbq h SER 77 CO 0.73 1.15 0.13 1.23 -0.53 0.00 0.00 176.83 179.54 3mbq h GLY 78 N 0.90 0.86 1.21 5.77 0.00 -1.97 -0.55 103.07 109.29 3mbq h GLY 78 Ca 0.11 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 3mbq h GLY 78 CO 0.06 0.50 -0.05 1.41 0.00 0.00 0.00 176.54 178.46 3mbq h LEU 79 N 0.69 0.93 0.25 3.11 3.38 -1.87 0.13 115.31 121.92 3mbq h LEU 79 Ca 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3mbq h LEU 79 Cb 0.33 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3mbq h LEU 79 CO 0.00 1.02 -0.12 0.00 0.09 0.00 0.00 178.44 179.43 3mbq h ALA 80 N 1.07 -0.33 0.35 1.53 0.00 -1.29 0.91 119.26 121.50 3mbq h ALA 80 Ca 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3mbq h ALA 80 Cb 0.58 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3mbq h ALA 80 CO 0.04 -0.66 -0.17 0.35 0.00 0.00 0.00 179.25 178.80 3mbq h PHE 81 N -0.37 -0.43 -0.19 0.00 3.57 -0.96 -0.43 116.94 118.13 3mbq h PHE 81 Ca -0.03 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.28 3mbq h PHE 81 Cb 0.28 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 3mbq h PHE 81 CO -0.05 -0.16 -0.61 0.87 -2.23 0.00 0.00 178.31 176.12 3mbq h LYS 82 N -0.65 0.64 0.00 1.11 1.57 -0.77 -3.38 116.57 115.09 3mbq h LYS 82 Ca -0.05 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3mbq h LYS 82 Cb 0.47 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3mbq h LYS 82 CO 0.08 1.06 -0.04 0.09 -0.57 0.00 0.00 179.45 180.06 3mbq n ASN 83 N -3.95 0.21 -0.29 0.86 4.13 0.24 -5.00 115.26 111.47 3mbq n ASN 83 Ca -0.04 -0.45 -0.04 0.00 1.68 0.00 0.00 54.58 55.73 3mbq n ASN 83 Cb 0.65 0.94 -0.02 0.00 -1.54 0.00 0.00 39.78 39.81 3mbq n ASN 83 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mbq n GLY 84 N 1.01 0.66 3.75 7.41 0.00 -0.17 -3.73 105.19 114.12 3mbq n GLY 84 Ca 0.00 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 3mbq n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mbq s ILE 85 N -2.06 4.72 0.29 -0.61 -1.09 -1.03 -0.74 121.20 120.69 3mbq s ILE 85 Ca 0.00 1.55 -0.00 0.00 -2.23 0.00 0.00 60.65 59.97 3mbq s ILE 85 Cb 0.00 -4.08 -0.02 0.00 -1.58 0.00 0.00 42.46 36.78 3mbq s ILE 85 CO 0.00 0.40 0.33 0.28 -1.23 0.00 0.00 174.94 174.71 3mbq s THR 86 N -0.23 0.00 -0.31 2.92 -1.32 -0.61 -2.77 115.64 113.33 3mbq s THR 86 Ca 0.37 -1.80 -0.18 0.00 -1.21 0.00 0.00 61.69 58.86 3mbq s THR 86 Cb -0.20 -2.51 -0.01 0.00 -1.51 0.00 0.00 72.50 68.26 3mbq s THR 86 CO 0.22 0.00 0.53 0.00 -2.21 0.00 0.00 174.62 173.16 3mbq h LEU 88 N 8.98 0.70 -3.41 0.00 5.85 -1.59 -2.72 115.31 123.12 3mbq h LEU 88 Ca -0.28 -0.27 -0.25 0.00 0.84 0.00 0.00 57.88 57.91 3mbq h LEU 88 Cb 1.13 -0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.82 3mbq h LEU 88 CO 0.75 0.95 0.32 -0.46 -0.34 0.00 0.00 178.44 179.66 3mbq n ASN 89 N -4.09 4.11 -4.76 1.25 6.94 -1.26 -5.00 115.26 112.45 3mbq n ASN 89 Ca -0.01 -3.09 -0.38 0.00 -0.02 0.00 0.00 54.58 51.08 3mbq n ASN 89 Cb 0.46 -0.73 0.01 0.00 -2.36 0.00 0.00 39.78 37.16 3mbq n ASN 89 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3mbq s THR 90 N -2.58 2.56 -0.03 5.53 -1.32 -1.03 -2.49 115.64 116.28 3mbq s THR 90 Ca 0.45 0.44 -0.30 0.00 -1.21 0.00 0.00 61.69 61.08 3mbq s THR 90 Cb 0.37 -3.23 -0.03 0.00 -1.51 0.00 0.00 72.50 68.10 3mbq s THR 90 CO 0.10 0.01 1.08 -2.16 -2.21 0.00 0.00 174.62 171.45 3mbq s PRO 91 N -2.68 4.45 -0.13 7.08 0.04 -1.26 -5.08 135.00 137.41 3mbq s PRO 91 Ca 0.65 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.94 3mbq s PRO 91 Cb -0.36 -3.48 -0.02 0.00 0.04 0.00 0.00 34.50 30.68 3mbq s PRO 91 CO 0.43 -0.26 1.27 0.20 0.04 0.00 0.00 177.00 178.69 3mbq s GLY 92 N 1.16 1.73 -0.14 0.56 0.00 -0.14 -4.76 107.32 105.73 3mbq s GLY 92 Ca 0.53 0.52 -0.21 0.00 0.00 0.00 0.00 44.72 45.57 3mbq s GLY 92 CO 0.24 2.47 0.62 -1.59 0.00 0.00 0.00 173.10 174.84 3mbq s THR 93 N 3.24 5.06 -0.23 0.90 2.01 -1.26 -0.60 115.64 124.76 3mbq s THR 93 Ca 0.56 1.22 0.01 0.00 0.31 0.00 0.00 61.69 63.79 3mbq s THR 93 Cb -0.23 -3.95 0.04 0.00 0.01 0.00 0.00 72.50 68.37 3mbq s THR 93 CO 0.17 0.20 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.55 3mbq s ILE 94 N 1.29 2.32 0.61 1.82 1.01 0.10 -5.01 121.20 123.35 3mbq s ILE 94 Ca 0.31 -1.27 0.05 0.00 0.00 0.00 0.00 60.65 59.73 3mbq s ILE 94 Cb -0.16 -2.20 0.09 0.00 0.01 0.00 0.00 42.46 40.20 3mbq s ILE 94 CO 0.13 0.20 0.85 1.51 0.00 0.00 0.00 174.94 177.62 3mbq s ASP 95 N 1.21 4.87 0.20 3.58 1.47 -1.26 -1.47 116.67 125.27 3mbq s ASP 95 Ca -0.02 -0.56 0.22 0.00 1.18 0.00 0.00 52.55 53.36 3mbq s ASP 95 Cb -0.17 0.01 0.90 0.00 -0.34 0.00 0.00 42.92 43.32 3mbq s ASP 95 CO -0.07 -1.48 1.68 -1.54 0.68 0.00 0.00 175.17 174.44 3mbq n SER 96 N -2.44 0.54 0.13 2.11 3.41 -1.26 -2.34 113.62 113.77 3mbq n SER 96 Ca 0.14 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.49 3mbq n SER 96 Cb 0.61 -0.74 0.10 0.00 -0.26 0.00 0.00 64.21 63.92 3mbq n SER 96 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3mbq h ASP 97 N 0.00 0.00 -2.94 4.04 3.32 -1.94 -3.42 116.42 115.48 3mbq h ASP 97 Ca 0.00 -0.03 -0.57 0.00 0.02 0.00 0.00 57.03 56.45 3mbq h ASP 97 Cb 0.38 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 3mbq h ASP 97 CO 0.00 0.02 1.03 -0.47 -1.72 0.00 0.00 179.24 178.10 3mbq s TYR 98 N -3.27 2.43 -0.13 4.55 5.04 -0.99 -4.87 117.35 120.11 3mbq s TYR 98 Ca 0.03 0.72 0.19 0.00 -2.44 0.00 0.00 57.07 55.57 3mbq s TYR 98 Cb 0.09 -3.89 0.29 0.00 0.35 0.00 0.00 41.96 38.80 3mbq s TYR 98 CO 0.73 -2.32 1.15 0.54 -1.34 0.00 0.00 175.55 174.32 3mbq n ARG 99 N 7.37 1.31 -2.07 4.97 5.12 -1.26 -4.69 116.66 127.40 3mbq n ARG 99 Ca 0.16 -2.58 -0.28 0.00 -1.93 0.00 0.00 57.85 53.23 3mbq n ARG 99 Cb 0.46 -1.50 0.07 0.00 -1.16 0.00 0.00 32.46 30.32 3mbq n ARG 99 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3mbq s GLY 100 N -2.86 1.63 0.29 -0.13 0.00 -1.26 -4.94 107.32 100.05 3mbq s GLY 100 Ca 0.32 -0.70 -0.30 0.00 0.00 0.00 0.00 44.72 44.03 3mbq s GLY 100 CO 0.03 -0.29 1.60 -2.21 0.00 0.00 0.00 173.10 172.23 3mbq n GLU 101 N -3.02 2.70 -2.40 2.90 2.13 -1.26 -4.49 120.64 117.20 3mbq n GLU 101 Ca 0.07 0.96 -0.42 0.00 0.66 0.00 0.00 57.16 58.43 3mbq n GLU 101 Cb 0.60 -2.75 -0.03 0.00 0.27 0.00 0.00 31.44 29.53 3mbq n GLU 101 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3mbq s VAL 102 N 0.07 4.11 -0.03 6.31 1.01 0.55 -4.99 120.40 127.43 3mbq s VAL 102 Ca 0.65 1.45 0.04 0.00 0.00 0.00 0.00 61.98 64.12 3mbq s VAL 102 Cb -0.50 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 31.95 3mbq s VAL 102 CO 0.47 0.00 -0.14 -0.54 0.00 0.00 0.00 175.10 174.90 3mbq s LYS 103 N 2.22 1.41 -0.21 2.72 1.02 -1.26 -2.03 119.74 123.60 3mbq s LYS 103 Ca 0.58 -0.49 -0.08 0.00 0.02 0.00 0.00 55.97 56.00 3mbq s LYS 103 Cb -0.27 -1.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.74 3mbq s LYS 103 CO 0.23 0.20 0.10 0.08 -0.92 0.00 0.00 175.35 175.04 3mbq s VAL 104 N 0.06 4.89 -0.58 3.17 1.01 0.18 -4.82 120.40 124.31 3mbq s VAL 104 Ca -0.03 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.78 3mbq s VAL 104 Cb -0.10 -3.24 0.11 0.00 0.00 0.00 0.00 36.38 33.14 3mbq s VAL 104 CO 0.01 0.40 0.66 -0.22 0.00 0.00 0.00 175.10 175.95 3mbq s LEU 105 N 0.84 5.52 0.07 3.92 2.96 -1.26 0.63 118.68 131.37 3mbq s LEU 105 Ca 0.05 -1.48 -0.10 0.00 -0.22 0.00 0.00 54.13 52.39 3mbq s LEU 105 Cb -0.13 -2.29 -0.06 0.00 0.50 0.00 0.00 46.19 44.21 3mbq s LEU 105 CO 0.02 -1.05 0.39 -0.76 -1.32 0.00 0.00 176.35 173.64 3mbq s LEU 106 N 2.47 4.35 -0.01 -0.68 1.43 -0.04 -1.51 118.68 124.70 3mbq s LEU 106 Ca 0.10 0.78 0.05 0.00 -1.03 0.00 0.00 54.13 54.04 3mbq s LEU 106 Cb -0.25 -2.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.99 3mbq s LEU 106 CO 0.06 0.18 -0.17 -0.51 0.23 0.00 0.00 176.35 176.14 3mbq s ILE 107 N -1.39 1.34 -0.55 -0.59 2.07 0.07 -0.95 121.20 121.20 3mbq s ILE 107 Ca 0.33 -0.75 -0.18 0.00 -1.41 0.00 0.00 60.65 58.63 3mbq s ILE 107 Cb -0.14 -1.12 0.09 0.00 0.13 0.00 0.00 42.46 41.42 3mbq s ILE 107 CO 0.18 0.36 0.64 0.21 -1.91 0.00 0.00 174.94 174.41 3mbq s ASN 108 N -0.46 6.19 -0.25 4.50 3.84 -0.42 -1.57 114.94 126.77 3mbq s ASN 108 Ca 0.06 -1.29 0.14 0.00 0.21 0.00 0.00 52.86 51.98 3mbq s ASN 108 Cb -0.07 -2.28 0.74 0.00 -0.55 0.00 0.00 41.25 39.09 3mbq s ASN 108 CO -0.00 -0.99 1.69 0.18 -2.79 0.00 0.00 177.10 175.18 3mbq n LEU 109 N 6.11 5.39 0.00 3.21 4.77 0.08 -0.02 117.00 136.54 3mbq n LEU 109 Ca -0.09 -3.04 0.00 0.00 -0.03 0.00 0.00 56.01 52.85 3mbq n LEU 109 Cb 0.43 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3mbq n LEU 109 CO 0.56 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 3mbq n GLY 110 N 0.15 2.60 0.00 -0.72 0.00 -1.23 -4.85 105.19 101.15 3mbq n GLY 110 Ca 0.29 -2.14 0.08 0.00 0.00 0.00 0.00 46.02 44.26 3mbq n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mbq n ASP 111 N -2.25 0.83 -4.72 1.61 9.92 -1.26 -4.48 116.55 116.20 3mbq n ASP 111 Ca 0.00 -0.78 -0.23 0.00 -0.53 0.00 0.00 54.79 53.25 3mbq n ASP 111 Cb 0.00 1.10 -0.06 0.00 -0.64 0.00 0.00 41.12 41.52 3mbq n ASP 111 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3mbq s ASP 112 N -2.78 4.92 0.54 -2.24 -1.08 -1.26 -4.85 116.67 109.92 3mbq s ASP 112 Ca 0.05 -0.50 -0.21 0.00 -0.52 0.00 0.00 52.55 51.36 3mbq s ASP 112 Cb 0.13 -1.05 -0.05 0.00 -1.46 0.00 0.00 42.92 40.49 3mbq s ASP 112 CO 0.70 -0.03 1.23 -1.81 0.52 0.00 0.00 175.17 175.77 3mbq s ASP 113 N -3.75 5.55 -0.15 -0.34 1.01 -1.26 -4.35 116.67 113.38 3mbq s ASP 113 Ca 0.32 2.44 0.02 0.00 0.71 0.00 0.00 52.55 56.04 3mbq s ASP 113 Cb -0.07 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.27 3mbq s ASP 113 CO 0.22 -1.36 -0.19 0.12 0.21 0.00 0.00 175.17 174.17 3mbq s PHE 114 N -1.52 2.52 -0.32 4.23 5.36 -0.43 -4.97 117.98 122.86 3mbq s PHE 114 Ca 0.71 -1.34 -0.12 0.00 -0.96 0.00 0.00 56.93 55.23 3mbq s PHE 114 Cb -0.32 -1.75 -0.02 0.00 -0.34 0.00 0.00 43.02 40.59 3mbq s PHE 114 CO 0.37 -0.65 0.20 1.03 -1.46 0.00 0.00 175.22 174.71 3mbq s ARG 115 N 1.05 3.54 -0.24 10.12 0.52 -1.26 -0.51 118.95 132.18 3mbq s ARG 115 Ca -0.02 -0.60 -0.16 0.00 -0.52 0.00 0.00 55.73 54.42 3mbq s ARG 115 Cb -0.14 -3.71 -0.03 0.00 0.52 0.00 0.00 34.95 31.58 3mbq s ARG 115 CO -0.06 -0.38 0.43 0.42 0.02 0.00 0.00 175.30 175.72 3mbq s ILE 116 N 1.70 5.15 0.29 1.52 1.01 0.11 -4.96 121.20 126.02 3mbq s ILE 116 Ca 0.06 0.72 0.10 0.00 0.00 0.00 0.00 60.65 61.53 3mbq s ILE 116 Cb -0.17 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.50 3mbq s ILE 116 CO 0.09 0.17 -0.15 -1.61 0.00 0.00 0.00 174.94 173.45 3mbq s GLU 117 N 1.86 1.68 0.23 2.79 2.02 -1.26 -1.85 118.70 124.17 3mbq s GLU 117 Ca 0.18 -1.81 -0.31 0.00 0.02 0.00 0.00 54.97 53.05 3mbq s GLU 117 Cb -0.15 -1.64 -0.12 0.00 0.10 0.00 0.00 34.13 32.32 3mbq s GLU 117 CO 0.09 0.23 1.70 0.50 0.02 0.00 0.00 175.26 177.80 3mbq s ARG 118 N -3.57 4.12 0.00 1.61 3.52 -1.26 -1.94 118.95 121.42 3mbq s ARG 118 Ca 0.30 2.61 0.00 0.00 -0.13 0.00 0.00 55.73 58.52 3mbq s ARG 118 Cb -0.01 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 3mbq s ARG 118 CO 0.14 -0.73 0.00 0.41 -0.81 0.00 0.00 175.30 174.31 3mbq n GLY 119 N 3.53 1.97 3.76 8.12 0.00 0.04 -4.98 105.19 117.63 3mbq n GLY 119 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3mbq n GLY 119 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3mbq s MET 120 N -0.57 4.23 -0.24 1.61 0.00 -0.82 -4.56 119.30 118.96 3mbq s MET 120 Ca 0.00 2.39 -0.29 0.00 0.00 0.00 0.00 55.69 57.79 3mbq s MET 120 Cb 0.00 -3.05 0.01 0.00 0.00 0.00 0.00 34.83 31.79 3mbq s MET 120 CO 0.00 -0.41 1.07 1.03 0.00 0.00 0.00 175.02 176.71 3mbq s ARG 121 N -1.32 4.22 0.00 4.11 0.52 -1.26 -1.16 118.95 124.06 3mbq s ARG 121 Ca 0.55 1.33 0.00 0.00 -0.52 0.00 0.00 55.73 57.09 3mbq s ARG 121 Cb -0.43 -3.67 0.00 0.00 0.52 0.00 0.00 34.95 31.37 3mbq s ARG 121 CO 0.52 -0.69 0.19 0.44 0.02 0.00 0.00 175.30 175.79 3mbq n ILE 122 N 5.43 0.00 -3.82 1.52 -5.35 0.12 -4.98 119.36 112.28 3mbq n ILE 122 Ca 0.12 -0.48 -0.05 0.00 -0.27 0.00 0.00 62.75 62.06 3mbq n ILE 122 Cb 0.46 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 3mbq n ILE 122 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mbq s ALA 123 N -0.59 -1.31 0.06 -1.28 0.00 -1.21 -4.55 121.76 112.89 3mbq s ALA 123 Ca 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 51.96 51.70 3mbq s ALA 123 Cb 0.00 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 3mbq s ALA 123 CO 0.00 -1.03 -0.16 1.14 0.00 0.00 0.00 175.76 175.70 3mbq s GLN 124 N -2.87 0.99 -0.14 0.00 -2.07 -0.22 -0.60 119.66 114.75 3mbq s GLN 124 Ca 0.15 -0.93 -0.01 0.00 -1.82 0.00 0.00 55.36 52.75 3mbq s GLN 124 Cb -0.04 -1.06 -0.02 0.00 -1.09 0.00 0.00 33.01 30.80 3mbq s GLN 124 CO 0.06 0.25 -0.10 0.00 -1.32 0.00 0.00 175.29 174.19 3mbq s ALA 125 N -1.05 2.76 -0.16 2.60 0.00 0.77 -0.81 121.76 125.86 3mbq s ALA 125 Ca 0.02 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 3mbq s ALA 125 Cb -0.09 -1.34 -0.00 0.00 0.00 0.00 0.00 23.12 21.69 3mbq s ALA 125 CO 0.02 0.24 -0.15 0.08 0.00 0.00 0.00 175.76 175.96 3mbq s VAL 126 N 0.34 2.67 -0.20 0.00 1.01 0.00 -1.19 120.40 123.03 3mbq s VAL 126 Ca -0.08 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 3mbq s VAL 126 Cb -0.15 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 3mbq s VAL 126 CO 0.05 0.51 0.12 0.12 0.00 0.00 0.00 175.10 175.89 3mbq s PHE 127 N 0.92 3.36 0.12 5.22 2.19 -1.26 -0.11 117.98 128.42 3mbq s PHE 127 Ca -0.03 0.25 -0.17 0.00 0.33 0.00 0.00 56.93 57.31 3mbq s PHE 127 Cb -0.15 -2.15 0.04 0.00 -1.31 0.00 0.00 43.02 39.44 3mbq s PHE 127 CO -0.02 0.23 0.42 0.00 1.83 0.00 0.00 175.22 177.68 3mbq s ALA 128 N 0.45 -1.00 0.63 11.12 0.00 -0.75 -5.01 121.76 127.21 3mbq s ALA 128 Ca 0.07 0.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.91 3mbq s ALA 128 Cb -0.12 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 3mbq s ALA 128 CO -0.01 -0.63 1.15 -1.25 0.00 0.00 0.00 175.76 175.03 3mbq s PRO 129 N -3.60 2.82 0.00 0.00 0.04 -1.26 -0.69 135.00 132.31 3mbq s PRO 129 Ca 0.02 1.60 0.02 0.00 0.04 0.00 0.00 61.00 62.68 3mbq s PRO 129 Cb 0.01 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 3mbq s PRO 129 CO -0.11 -1.27 -0.08 0.54 0.04 0.00 0.00 177.00 176.12 3mbq s VAL 130 N -1.99 0.60 0.24 -0.36 0.11 -0.17 -4.68 120.40 114.15 3mbq s VAL 130 Ca 0.72 -0.43 0.12 0.00 -2.93 0.00 0.00 61.98 59.45 3mbq s VAL 130 Cb -0.25 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.03 3mbq s VAL 130 CO 0.37 0.09 -0.21 0.27 -3.33 0.00 0.00 175.10 172.30 3mbq s ILE 131 N -0.34 2.47 -0.21 7.04 -4.36 -1.26 -4.47 121.20 120.07 3mbq s ILE 131 Ca 0.01 -2.19 -0.00 0.00 -0.26 0.00 0.00 60.65 58.21 3mbq s ILE 131 Cb -0.04 -2.24 0.02 0.00 1.25 0.00 0.00 42.46 41.45 3mbq s ILE 131 CO -0.00 -0.26 -0.12 -1.10 0.24 0.00 0.00 174.94 173.70 3mbq s GLN 132 N -3.09 2.94 0.68 0.37 -0.21 -1.26 -5.12 119.66 113.96 3mbq s GLN 132 Ca 0.25 -0.89 -0.11 0.00 0.02 0.00 0.00 55.36 54.64 3mbq s GLN 132 Cb -0.07 -2.79 -0.00 0.00 1.00 0.00 0.00 33.01 31.15 3mbq s GLN 132 CO 0.13 -0.30 1.06 -1.25 -2.12 0.00 0.00 175.29 172.81 3mbq s PRO 133 N 1.31 3.07 0.27 2.91 0.04 -1.26 -5.03 135.00 136.32 3mbq s PRO 133 Ca 0.02 0.71 -0.29 0.00 0.04 0.00 0.00 61.00 61.48 3mbq s PRO 133 Cb -0.15 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 3mbq s PRO 133 CO -0.08 -0.94 1.34 0.15 0.04 0.00 0.00 177.00 177.51 3mbq s LYS 134 N -5.19 4.34 -0.27 4.56 1.02 -1.26 -5.02 119.74 117.92 3mbq s LYS 134 Ca 0.57 2.19 -0.12 0.00 0.02 0.00 0.00 55.97 58.63 3mbq s LYS 134 Cb -0.12 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 34.03 3mbq s LYS 134 CO 0.54 -0.26 0.25 0.42 -0.92 0.00 0.00 175.35 175.37 3mbq s ILE 135 N -0.50 5.28 -0.15 2.17 -1.09 -1.26 -5.08 121.20 120.57 3mbq s ILE 135 Ca 0.54 0.31 0.01 0.00 -2.23 0.00 0.00 60.65 59.28 3mbq s ILE 135 Cb -0.39 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 36.92 3mbq s ILE 135 CO 0.46 0.24 -0.15 -0.70 -1.23 0.00 0.00 174.94 173.56 3mbq s GLU 136 N 1.70 2.39 0.31 2.79 2.12 -1.26 -5.11 118.70 121.64 3mbq s GLU 136 Ca 0.10 -0.60 -0.28 0.00 0.36 0.00 0.00 54.97 54.55 3mbq s GLU 136 Cb -0.15 -2.14 -0.09 0.00 0.26 0.00 0.00 34.13 32.01 3mbq s GLU 136 CO 0.09 -0.20 1.10 -2.00 -0.54 0.00 0.00 175.26 173.72 3mbq s GLU 137 N 1.36 4.53 0.12 4.30 2.12 -1.26 -5.05 118.70 124.82 3mbq s GLU 137 Ca 0.03 1.77 0.03 0.00 0.36 0.00 0.00 54.97 57.16 3mbq s GLU 137 Cb -0.13 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 3mbq s GLU 137 CO -0.09 0.12 -0.08 1.03 -0.54 0.00 0.00 175.26 175.70 3mbq s ARG 138 N -1.66 0.93 -0.23 4.30 0.52 -1.26 -5.09 118.95 116.46 3mbq s ARG 138 Ca 0.47 -1.39 -0.01 0.00 -0.52 0.00 0.00 55.73 54.29 3mbq s ARG 138 Cb -0.31 -0.36 -0.14 0.00 0.52 0.00 0.00 34.95 34.66 3mbq s ARG 138 CO 0.39 0.01 -0.22 0.00 0.02 0.00 0.00 175.30 175.50 3mbq n ALA 139 N -0.11 1.50 -2.45 2.13 0.00 -1.26 -5.04 120.51 115.29 3mbq n ALA 139 Ca -0.11 -0.96 -0.22 0.00 0.00 0.00 0.00 53.44 52.15 3mbq n ALA 139 Cb 0.61 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.97 3mbq n ALA 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3mbq s LYS 140 N -2.45 1.59 0.00 0.00 0.00 -1.26 -5.38 119.74 112.25 3mbq s LYS 140 Ca -0.31 -1.81 0.00 0.00 0.00 0.00 0.00 55.97 53.85 3mbq s LYS 140 Cb 0.09 -1.26 0.00 0.00 0.00 0.00 0.00 37.83 36.66 3mbq s LYS 140 CO 0.50 0.06 0.00 -0.89 0.00 0.00 0.00 175.35 175.03 3mbq n ILE 141 N -0.61 0.00 0.00 3.79 5.41 -1.26 -5.25 119.36 121.44 3mbq n ILE 141 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.70 3mbq n ILE 141 Cb 0.63 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.64 3mbq n ILE 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3mbq n GLY 147 N 4.82 4.17 3.77 7.39 0.00 -1.26 -5.25 105.19 118.82 3mbq n GLY 147 Ca 0.00 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 3mbq n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mbq s ALA 148 N -0.77 3.18 0.00 4.61 0.00 -1.26 -4.33 121.76 123.19 3mbq s ALA 148 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.03 3mbq s ALA 148 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3mbq s ALA 148 CO 0.00 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.51 3mbq n GLY 149 N 0.65 1.25 4.02 0.00 0.00 -1.26 -5.13 105.19 104.71 3mbq n GLY 149 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 3mbq n GLY 149 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mbq s GLY 150 N 0.00 1.81 0.00 -0.02 0.00 -1.26 -5.47 107.32 102.38 3mbq s GLY 150 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 42.86 3mbq s GLY 150 CO 0.00 -1.49 0.46 0.69 0.00 0.00 0.00 173.10 172.76